#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iaq n ARG 14 N 0.00 3.44 0.21 5.56 1.74 -1.26 -4.92 116.66 121.43 3iaq n ARG 14 Ca 0.00 -4.53 0.15 0.00 -0.77 0.00 0.00 57.85 52.70 3iaq n ARG 14 Cb 0.00 -2.46 0.71 0.00 -1.02 0.00 0.00 32.46 29.70 3iaq n ARG 14 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3iaq h ASP 15 N 5.71 0.00 -0.17 0.55 3.32 -1.95 -1.68 116.42 122.20 3iaq h ASP 15 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3iaq h ASP 15 Cb 0.74 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.29 3iaq h ASP 15 CO 1.05 0.00 0.00 -2.67 -1.72 0.00 0.00 179.24 175.90 3iaq n TRP 16 N -2.55 0.22 -2.27 4.55 2.14 -1.26 -3.73 117.44 114.54 3iaq n TRP 16 Ca -0.01 -0.11 -0.13 0.00 2.07 0.00 0.00 57.50 59.32 3iaq n TRP 16 Cb 0.14 0.00 0.04 0.00 -0.81 0.00 0.00 31.31 30.68 3iaq n TRP 16 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 3iaq n GLU 17 N 0.30 2.74 -3.36 -2.67 1.02 -0.63 -0.26 120.64 117.79 3iaq n GLU 17 Ca 0.16 -3.82 -0.10 0.00 -0.02 0.00 0.00 57.16 53.38 3iaq n GLU 17 Cb 0.32 -1.93 -0.08 0.00 -0.02 0.00 0.00 31.44 29.72 3iaq n GLU 17 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3iaq s ASN 18 N -3.58 0.38 0.32 1.62 2.47 -1.24 -4.72 114.94 110.19 3iaq s ASN 18 Ca 0.42 0.09 0.26 0.00 0.42 0.00 0.00 52.86 54.05 3iaq s ASN 18 Cb 0.38 1.05 1.09 0.00 -1.45 0.00 0.00 41.25 42.31 3iaq s ASN 18 CO -0.00 -0.31 1.77 1.55 -3.72 0.00 0.00 177.10 176.39 3iaq h PRO 19 N 8.19 0.00 0.00 0.43 0.13 -1.92 -2.38 132.00 136.45 3iaq h PRO 19 Ca -0.18 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.91 3iaq h PRO 19 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 3iaq h PRO 19 CO 0.28 0.00 -0.19 0.78 -0.23 0.00 0.00 178.00 178.63 3iaq h GLY 20 N 2.07 0.00 -7.66 1.56 0.00 -1.96 -3.39 103.07 93.69 3iaq h GLY 20 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.65 3iaq h GLY 20 CO 0.00 0.00 -0.66 0.14 0.00 0.00 0.00 176.54 176.02 3iaq s VAL 21 N -3.56 2.85 -0.40 4.60 1.01 -0.89 -4.91 120.40 119.11 3iaq s VAL 21 Ca 0.02 -1.88 0.13 0.00 0.00 0.00 0.00 61.98 60.25 3iaq s VAL 21 Cb 0.09 -2.87 -0.17 0.00 0.00 0.00 0.00 36.38 33.44 3iaq s VAL 21 CO 0.63 -0.43 0.46 0.35 0.00 0.00 0.00 175.10 176.11 3iaq n THR 22 N 4.51 0.00 -3.51 3.92 -2.24 -1.26 -4.77 114.28 110.92 3iaq n THR 22 Ca -0.05 -0.23 -0.14 0.00 -2.27 0.00 0.00 64.05 61.36 3iaq n THR 22 Cb 0.42 0.71 -0.04 0.00 -2.10 0.00 0.00 70.33 69.32 3iaq n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iaq s GLN 23 N -2.49 1.13 -0.04 -0.78 1.03 -1.26 -1.39 119.66 115.85 3iaq s GLN 23 Ca 0.01 -0.25 -0.01 0.00 0.04 0.00 0.00 55.36 55.16 3iaq s GLN 23 Cb 0.09 0.52 0.03 0.00 0.03 0.00 0.00 33.01 33.68 3iaq s GLN 23 CO 0.54 -0.43 0.03 -0.51 -2.54 0.00 0.00 175.29 172.38 3iaq s LEU 24 N -2.14 0.60 -2.03 2.60 1.43 0.85 -4.85 118.68 115.14 3iaq s LEU 24 Ca -0.04 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 3iaq s LEU 24 Cb -0.00 -0.21 0.00 0.00 0.03 0.00 0.00 46.19 46.01 3iaq s LEU 24 CO -0.04 -0.19 0.00 0.59 0.23 0.00 0.00 176.35 176.94 3iaq n ASN 25 N 4.84 -5.37 -4.78 2.29 3.02 -1.26 -1.42 115.26 112.58 3iaq n ASN 25 Ca -0.13 0.43 -0.37 0.00 -0.03 0.00 0.00 54.58 54.48 3iaq n ASN 25 Cb 0.50 -4.57 -0.06 0.00 -0.61 0.00 0.00 39.78 35.04 3iaq n ASN 25 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3iaq s ARG 26 N -3.78 4.61 0.59 3.52 3.52 -1.26 -4.67 118.95 121.48 3iaq s ARG 26 Ca 0.00 1.33 -0.09 0.00 -0.13 0.00 0.00 55.73 56.84 3iaq s ARG 26 Cb 0.00 -2.86 -0.03 0.00 -1.56 0.00 0.00 34.95 30.50 3iaq s ARG 26 CO 0.00 0.31 0.97 -0.51 -0.81 0.00 0.00 175.30 175.26 3iaq s LEU 27 N -1.94 3.29 0.60 -0.88 1.43 0.85 -5.02 118.68 117.01 3iaq s LEU 27 Ca 0.49 1.19 -0.19 0.00 -1.03 0.00 0.00 54.13 54.59 3iaq s LEU 27 Cb -0.19 -4.16 -0.03 0.00 0.03 0.00 0.00 46.19 41.83 3iaq s LEU 27 CO 0.25 -0.88 1.25 0.00 0.23 0.00 0.00 176.35 177.20 3iaq s ALA 28 N -3.08 2.54 0.69 4.21 0.00 -1.26 -4.65 121.76 120.21 3iaq s ALA 28 Ca 0.53 1.12 -0.11 0.00 0.00 0.00 0.00 51.96 53.50 3iaq s ALA 28 Cb -0.11 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.52 3iaq s ALA 28 CO 0.51 -1.31 1.08 0.00 0.00 0.00 0.00 175.76 176.03 3iaq s ALA 29 N -1.48 2.91 -0.23 0.00 0.00 -1.26 -4.97 121.76 116.73 3iaq s ALA 29 Ca 0.78 -0.27 -0.36 0.00 0.00 0.00 0.00 51.96 52.11 3iaq s ALA 29 Cb -0.34 -3.05 0.15 0.00 0.00 0.00 0.00 23.12 19.88 3iaq s ALA 29 CO 0.37 -1.06 1.27 -3.38 0.00 0.00 0.00 175.76 172.96 3iaq s HIS 30 N -3.30 -0.09 0.92 0.00 -0.00 -1.26 -4.90 115.29 106.66 3iaq s HIS 30 Ca 0.58 0.06 -0.10 0.00 -0.00 0.00 0.00 55.06 55.59 3iaq s HIS 30 Cb -0.11 0.51 0.15 0.00 -0.00 0.00 0.00 32.58 33.13 3iaq s HIS 30 CO 0.52 -0.14 1.12 -2.14 -0.00 0.00 0.00 174.74 174.11 3iaq s PRO 31 N -2.21 0.96 -0.36 -0.38 0.02 -0.99 -4.31 135.00 127.72 3iaq s PRO 31 Ca 0.10 1.38 -0.42 0.00 0.02 0.00 0.00 61.00 62.08 3iaq s PRO 31 Cb -0.01 -1.73 -0.17 0.00 0.02 0.00 0.00 34.50 32.61 3iaq s PRO 31 CO -0.04 -2.62 1.71 -2.30 -0.33 0.00 0.00 177.00 173.42 3iaq n PRO 32 N -4.21 0.78 -4.16 5.54 -0.02 -1.26 -4.99 135.00 126.68 3iaq n PRO 32 Ca 0.10 0.28 -0.23 0.00 -2.02 0.00 0.00 63.50 61.63 3iaq n PRO 32 Cb 0.53 -1.91 -0.06 0.00 -0.02 0.00 0.00 33.50 32.04 3iaq n PRO 32 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3iaq s PHE 33 N 3.47 3.00 0.00 6.00 0.08 -1.26 -4.77 117.98 124.49 3iaq s PHE 33 Ca 1.01 -0.12 0.00 0.00 0.12 0.00 0.00 56.93 57.94 3iaq s PHE 33 Cb -1.21 -1.38 0.00 0.00 -0.57 0.00 0.00 43.02 39.86 3iaq s PHE 33 CO 0.71 0.54 0.00 0.00 -0.10 0.00 0.00 175.22 176.37 3iaq n ALA 34 N -0.84 0.00 -4.16 5.36 0.00 -1.26 -5.05 120.51 114.56 3iaq n ALA 34 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.05 3iaq n ALA 34 Cb 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.96 3iaq n ALA 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3iaq n SER 35 N 0.00 -0.31 -4.74 0.00 2.88 -1.26 -4.17 113.62 106.02 3iaq n SER 35 Ca 0.00 -1.20 -0.41 0.00 -1.33 0.00 0.00 58.87 55.93 3iaq n SER 35 Cb 0.10 -2.07 0.01 0.00 -0.75 0.00 0.00 64.21 61.50 3iaq n SER 35 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 3iaq n TRP 36 N -4.58 2.59 0.10 0.66 8.01 -0.92 -4.62 117.44 118.68 3iaq n TRP 36 Ca -0.29 0.48 0.04 0.00 -1.31 0.00 0.00 57.50 56.41 3iaq n TRP 36 Cb 0.67 -2.46 0.06 0.00 -2.01 0.00 0.00 31.31 27.58 3iaq n TRP 36 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 3iaq n ARG 37 N 0.19 1.37 -4.20 -0.99 5.12 -1.26 -0.91 116.66 115.98 3iaq n ARG 37 Ca 0.04 -1.36 -0.22 0.00 -1.93 0.00 0.00 57.85 54.38 3iaq n ARG 37 Cb 0.39 -1.15 -0.17 0.00 -1.16 0.00 0.00 32.46 30.37 3iaq n ARG 37 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 3iaq s ASN 38 N -0.78 1.26 0.33 0.55 3.84 -1.26 -4.97 114.94 113.91 3iaq s ASN 38 Ca 0.11 -0.17 0.14 0.00 0.21 0.00 0.00 52.86 53.15 3iaq s ASN 38 Cb 0.07 -0.56 0.58 0.00 -0.55 0.00 0.00 41.25 40.79 3iaq s ASN 38 CO 0.09 -0.05 1.72 0.28 -2.79 0.00 0.00 177.10 176.35 3iaq h SER 39 N 7.31 0.00 0.50 -4.21 0.02 -1.98 -2.58 113.55 112.61 3iaq h SER 39 Ca -0.34 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.41 3iaq h SER 39 Cb 1.16 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 3iaq h SER 39 CO 0.45 0.47 -0.84 -0.08 -1.14 0.00 0.00 176.83 175.69 3iaq h GLU 40 N 0.00 0.24 -0.54 3.45 4.57 -1.99 -2.03 114.58 118.28 3iaq h GLU 40 Ca -0.00 -0.25 -0.12 0.00 -1.18 0.00 0.00 59.36 57.81 3iaq h GLU 40 Cb 0.89 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.53 3iaq h GLU 40 CO 0.06 0.95 -0.13 0.93 -1.18 0.00 0.00 179.01 179.64 3iaq h GLU 41 N 0.14 1.04 -0.24 1.92 4.39 -1.89 -2.28 114.58 117.66 3iaq h GLU 41 Ca -0.04 -0.40 -0.00 0.00 0.34 0.00 0.00 59.36 59.26 3iaq h GLU 41 Cb 1.46 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 30.04 3iaq h GLU 41 CO 0.13 1.09 0.14 0.00 -1.16 0.00 0.00 179.01 179.21 3iaq h ALA 42 N 0.92 0.31 -0.80 3.43 0.00 -1.41 -2.33 119.26 119.37 3iaq h ALA 42 Ca 0.14 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3iaq h ALA 42 Cb 0.71 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 3iaq h ALA 42 CO 0.05 -0.18 0.53 -0.09 0.00 0.00 0.00 179.25 179.56 3iaq h ARG 43 N 0.29 0.96 -0.07 0.00 2.43 -1.26 -2.82 114.38 113.91 3iaq h ARG 43 Ca 0.09 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3iaq h ARG 43 Cb 0.04 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.38 3iaq h ARG 43 CO -0.01 0.63 0.00 0.25 -1.51 0.00 0.00 179.97 179.33 3iaq n THR 44 N -4.45 0.07 -1.24 0.20 -2.24 -0.87 -4.93 114.28 100.81 3iaq n THR 44 Ca 0.10 -0.33 -0.08 0.00 -2.27 0.00 0.00 64.05 61.47 3iaq n THR 44 Cb 0.11 0.65 -0.04 0.00 -2.10 0.00 0.00 70.33 68.96 3iaq n THR 44 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3iaq n ASP 45 N 0.45 -5.29 -4.77 3.42 2.03 -0.92 -4.99 116.55 106.48 3iaq n ASP 45 Ca 0.18 0.21 -0.33 0.00 0.52 0.00 0.00 54.79 55.36 3iaq n ASP 45 Cb 0.40 -3.52 0.04 0.00 -0.72 0.00 0.00 41.12 37.31 3iaq n ASP 45 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3iaq s ARG 46 N -2.53 2.91 0.77 -0.67 0.52 -0.94 -4.96 118.95 114.05 3iaq s ARG 46 Ca 0.00 1.39 -0.15 0.00 -0.52 0.00 0.00 55.73 56.45 3iaq s ARG 46 Cb 0.00 -1.97 0.00 0.00 0.52 0.00 0.00 34.95 33.50 3iaq s ARG 46 CO 0.00 -1.16 0.70 -2.30 0.02 0.00 0.00 175.30 172.56 3iaq n PRO 47 N -2.27 0.24 -4.80 3.54 -0.02 -1.26 -4.72 135.00 125.71 3iaq n PRO 47 Ca 0.10 0.13 -0.33 0.00 -2.02 0.00 0.00 63.50 61.38 3iaq n PRO 47 Cb 0.52 -2.01 -0.14 0.00 -0.02 0.00 0.00 33.50 31.86 3iaq n PRO 47 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3iaq s SER 48 N -1.69 4.08 0.56 2.55 0.15 -1.26 -4.99 113.70 113.10 3iaq s SER 48 Ca 0.67 -0.26 0.37 0.00 0.70 0.00 0.00 55.95 57.44 3iaq s SER 48 Cb -0.32 -1.31 1.85 0.00 -1.71 0.00 0.00 66.02 64.53 3iaq s SER 48 CO 0.57 0.24 2.13 1.56 1.20 0.00 0.00 173.24 178.93 3iaq h GLN 49 N 6.13 0.00 -0.00 5.44 1.08 -1.91 -1.84 115.11 124.01 3iaq h GLN 49 Ca -0.35 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.85 3iaq h GLN 49 Cb 1.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 3iaq h GLN 49 CO 0.54 0.00 -0.29 1.04 -0.95 0.00 0.00 178.83 179.17 3iaq n GLN 50 N -2.93 0.30 -3.92 1.46 3.00 -1.26 -4.66 117.38 109.36 3iaq n GLN 50 Ca -0.01 -0.14 -0.34 0.00 -0.01 0.00 0.00 57.00 56.50 3iaq n GLN 50 Cb 0.16 -1.50 -0.14 0.00 0.00 0.00 0.00 30.24 28.76 3iaq n GLN 50 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 3iaq s LEU 51 N -2.80 4.49 -0.12 1.08 2.96 -0.69 -1.19 118.68 122.41 3iaq s LEU 51 Ca 0.18 -1.77 -0.05 0.00 -0.22 0.00 0.00 54.13 52.27 3iaq s LEU 51 Cb 0.19 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 45.14 3iaq s LEU 51 CO 0.59 -0.37 0.08 -0.13 -1.32 0.00 0.00 176.35 175.20 3iaq s ARG 52 N 1.10 3.37 -0.11 1.98 0.52 -0.54 -4.71 118.95 120.56 3iaq s ARG 52 Ca 0.03 -0.27 -0.23 0.00 -0.52 0.00 0.00 55.73 54.74 3iaq s ARG 52 Cb -0.20 -3.05 -0.03 0.00 0.52 0.00 0.00 34.95 32.18 3iaq s ARG 52 CO -0.04 0.67 0.70 0.45 0.02 0.00 0.00 175.30 177.09 3iaq s SER 53 N -0.74 6.92 -0.00 0.23 0.15 -1.26 -0.91 113.70 118.09 3iaq s SER 53 Ca 0.12 1.11 0.21 0.00 0.70 0.00 0.00 55.95 58.09 3iaq s SER 53 Cb -0.12 -2.40 0.61 0.00 -1.71 0.00 0.00 66.02 62.40 3iaq s SER 53 CO 0.03 -0.18 1.50 0.18 1.20 0.00 0.00 173.24 175.97 3iaq n LEU 54 N 4.23 3.67 -4.67 3.45 4.77 0.58 -4.95 117.00 124.09 3iaq n LEU 54 Ca -0.01 -1.84 -0.31 0.00 -0.03 0.00 0.00 56.01 53.83 3iaq n LEU 54 Cb 0.51 -0.46 0.17 0.00 -2.33 0.00 0.00 43.42 41.30 3iaq n LEU 54 CO 0.47 0.92 0.68 0.20 -1.33 0.00 0.00 177.39 178.32 3iaq s ASN 55 N -1.00 2.91 0.00 -1.43 -0.87 -1.21 -4.84 114.94 108.50 3iaq s ASN 55 Ca 0.46 2.16 0.00 0.00 -1.57 0.00 0.00 52.86 53.91 3iaq s ASN 55 Cb 0.24 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.91 3iaq s ASN 55 CO 0.31 -3.11 0.00 0.61 -2.57 0.00 0.00 177.10 172.34 3iaq n GLY 56 N 0.18 0.26 3.60 0.66 0.00 -0.64 -5.01 105.19 104.24 3iaq n GLY 56 Ca 0.12 -1.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 3iaq n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iaq s GLU 57 N -0.94 3.95 0.47 1.61 2.02 -1.26 -0.84 118.70 123.71 3iaq s GLU 57 Ca 0.00 0.05 0.07 0.00 0.02 0.00 0.00 54.97 55.11 3iaq s GLU 57 Cb 0.00 -3.68 -0.00 0.00 0.10 0.00 0.00 34.13 30.55 3iaq s GLU 57 CO 0.00 -0.35 0.35 -1.58 0.02 0.00 0.00 175.26 173.70 3iaq s TRP 58 N 2.15 2.20 -0.15 1.61 0.52 0.65 -4.94 118.94 120.99 3iaq s TRP 58 Ca 0.16 -0.67 -0.04 0.00 0.02 0.00 0.00 56.10 55.57 3iaq s TRP 58 Cb -0.16 -2.01 -0.03 0.00 -1.15 0.00 0.00 33.47 30.12 3iaq s TRP 58 CO 0.10 -0.22 0.01 1.03 0.02 0.00 0.00 176.95 177.90 3iaq s ARG 59 N -4.15 3.59 0.00 4.98 1.81 -0.11 -1.61 118.95 123.46 3iaq s ARG 59 Ca 0.40 -0.43 0.03 0.00 -1.72 0.00 0.00 55.73 54.02 3iaq s ARG 59 Cb -0.01 -2.99 -0.01 0.00 -0.45 0.00 0.00 34.95 31.49 3iaq s ARG 59 CO 0.24 0.38 -0.09 0.12 -0.68 0.00 0.00 175.30 175.27 3iaq s PHE 60 N 0.02 0.76 0.01 -0.53 5.36 0.10 -0.54 117.98 123.16 3iaq s PHE 60 Ca 0.03 -0.18 0.00 0.00 -0.96 0.00 0.00 56.93 55.82 3iaq s PHE 60 Cb -0.13 -0.48 -0.01 0.00 -0.34 0.00 0.00 43.02 42.06 3iaq s PHE 60 CO 0.02 -0.01 -0.02 0.00 -1.46 0.00 0.00 175.22 173.74 3iaq s ALA 61 N -0.33 0.10 -0.01 11.12 0.00 0.42 -0.55 121.76 132.51 3iaq s ALA 61 Ca 0.02 -0.38 0.03 0.00 0.00 0.00 0.00 51.96 51.62 3iaq s ALA 61 Cb -0.04 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 3iaq s ALA 61 CO -0.00 -0.10 -0.05 -0.46 0.00 0.00 0.00 175.76 175.15 3iaq s TRP 62 N -0.93 2.93 0.02 0.00 -0.00 -1.26 -0.00 118.94 119.70 3iaq s TRP 62 Ca -0.10 -0.01 0.00 0.00 -0.00 0.00 0.00 56.10 55.99 3iaq s TRP 62 Cb -0.06 -1.63 -0.02 0.00 -0.00 0.00 0.00 33.47 31.76 3iaq s TRP 62 CO -0.01 0.39 -0.03 -0.06 -0.00 0.00 0.00 176.95 177.24 3iaq s PHE 63 N -0.99 0.26 0.41 5.86 0.08 0.07 -4.99 117.98 118.69 3iaq s PHE 63 Ca 0.17 -0.52 0.19 0.00 0.12 0.00 0.00 56.93 56.89 3iaq s PHE 63 Cb -0.11 -0.19 1.12 0.00 -0.57 0.00 0.00 43.02 43.27 3iaq s PHE 63 CO 0.07 -0.18 1.99 -1.00 -0.10 0.00 0.00 175.22 176.00 3iaq h PRO 64 N 4.67 0.00 -3.12 0.24 0.13 -1.87 0.27 132.00 132.32 3iaq h PRO 64 Ca -0.32 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.80 3iaq h PRO 64 Cb 1.21 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.23 3iaq h PRO 64 CO 0.41 0.19 0.13 0.00 -0.23 0.00 0.00 178.00 178.51 3iaq s ALA 65 N -4.36 -1.31 0.36 -0.56 0.00 -1.24 -1.79 121.76 112.87 3iaq s ALA 65 Ca -0.03 0.16 0.04 0.00 0.00 0.00 0.00 51.96 52.12 3iaq s ALA 65 Cb 0.14 0.85 0.69 0.00 0.00 0.00 0.00 23.12 24.80 3iaq s ALA 65 CO 0.66 -0.79 2.01 -1.00 0.00 0.00 0.00 175.76 176.63 3iaq h PRO 66 N 2.10 0.73 -0.03 0.00 0.13 -1.89 -2.58 132.00 130.46 3iaq h PRO 66 Ca -0.31 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 64.77 3iaq h PRO 66 Cb 1.28 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 3iaq h PRO 66 CO 0.37 0.50 0.03 0.93 -0.23 0.00 0.00 178.00 179.61 3iaq h GLU 67 N 0.75 0.00 0.00 0.86 3.07 -1.95 -1.67 114.58 115.63 3iaq h GLU 67 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 3iaq h GLU 67 Cb -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 3iaq h GLU 67 CO -0.04 0.00 -0.06 0.00 -1.40 0.00 0.00 179.01 177.51 3iaq n ALA 68 N -2.37 2.38 -2.15 3.43 0.00 -0.97 -4.79 120.51 116.03 3iaq n ALA 68 Ca -0.02 -0.07 -0.43 0.00 0.00 0.00 0.00 53.44 52.92 3iaq n ALA 68 Cb 0.12 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.11 3iaq n ALA 68 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iaq s VAL 69 N -3.08 3.71 0.38 0.00 1.01 -0.63 -4.97 120.40 116.82 3iaq s VAL 69 Ca 0.11 0.77 -0.27 0.00 0.00 0.00 0.00 61.98 62.59 3iaq s VAL 69 Cb 0.14 -3.81 -0.09 0.00 0.00 0.00 0.00 36.38 32.62 3iaq s VAL 69 CO 0.59 -0.42 1.34 -2.16 0.00 0.00 0.00 175.10 174.45 3iaq s PRO 70 N 4.92 4.08 0.38 2.72 0.04 -1.26 -4.91 135.00 140.98 3iaq s PRO 70 Ca 0.71 2.25 0.28 0.00 0.04 0.00 0.00 61.00 64.27 3iaq s PRO 70 Cb -0.22 -2.87 1.28 0.00 0.04 0.00 0.00 34.50 32.73 3iaq s PRO 70 CO 0.30 -0.43 1.84 0.93 0.04 0.00 0.00 177.00 179.68 3iaq h GLU 71 N 2.91 0.00 0.00 4.56 3.07 -1.97 -2.70 114.58 120.45 3iaq h GLU 71 Ca -0.50 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.36 3iaq h GLU 71 Cb 1.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 3iaq h GLU 71 CO 0.63 0.00 0.00 0.66 -1.40 0.00 0.00 179.01 178.90 3iaq h SER 72 N 0.00 0.00 0.34 1.42 4.64 -1.93 -3.28 113.55 114.74 3iaq h SER 72 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3iaq h SER 72 Cb 0.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3iaq h SER 72 CO 0.00 0.00 -0.05 -0.25 -0.87 0.00 0.00 176.83 175.66 3iaq h TRP 73 N 0.00 0.00 0.00 4.77 7.01 -1.63 -2.16 115.95 123.94 3iaq h TRP 73 Ca 0.00 0.00 -0.06 0.00 2.11 0.00 0.00 58.89 60.94 3iaq h TRP 73 Cb 0.79 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.84 3iaq h TRP 73 CO 0.00 0.05 -0.28 -0.07 -2.79 0.00 0.00 178.44 175.36 3iaq h LEU 74 N 0.00 0.00 -1.26 0.65 3.38 -1.80 -3.28 115.31 113.00 3iaq h LEU 74 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iaq h LEU 74 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3iaq h LEU 74 CO 0.01 0.28 0.00 -0.62 0.09 0.00 0.00 178.44 178.19 3iaq n GLU 75 N -3.94 0.03 -3.68 1.13 1.02 -1.07 -3.32 120.64 110.81 3iaq n GLU 75 Ca -0.02 -0.63 -0.10 0.00 -0.02 0.00 0.00 57.16 56.39 3iaq n GLU 75 Cb 0.35 -0.90 -0.09 0.00 -0.02 0.00 0.00 31.44 30.78 3iaq n GLU 75 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3iaq s ASP 77 N 1.21 6.58 0.06 0.00 2.15 -1.26 -4.12 116.67 121.29 3iaq s ASP 77 Ca -0.08 2.50 -0.31 0.00 0.43 0.00 0.00 52.55 55.10 3iaq s ASP 77 Cb -0.06 -2.56 -0.08 0.00 -0.30 0.00 0.00 42.92 39.92 3iaq s ASP 77 CO -0.12 -0.92 1.60 -0.76 -0.17 0.00 0.00 175.17 174.81 3iaq s LEU 78 N 2.94 4.35 0.43 -1.34 1.43 -1.26 -4.92 118.68 120.32 3iaq s LEU 78 Ca 0.76 2.41 0.15 0.00 -1.03 0.00 0.00 54.13 56.42 3iaq s LEU 78 Cb -0.40 -3.56 1.04 0.00 0.03 0.00 0.00 46.19 43.30 3iaq s LEU 78 CO 0.33 -0.85 1.96 -0.65 0.23 0.00 0.00 176.35 177.37 3iaq h PRO 79 N 8.21 0.39 0.00 1.29 0.11 -2.02 -2.48 132.00 137.50 3iaq h PRO 79 Ca -0.42 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.58 3iaq h PRO 79 Cb 1.20 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3iaq h PRO 79 CO 0.92 0.26 -0.42 0.93 -0.21 0.00 0.00 178.00 179.48 3iaq h GLU 80 N 0.41 0.00 -6.81 1.05 3.07 -1.98 -3.46 114.58 106.86 3iaq h GLU 80 Ca 0.31 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.61 3iaq h GLU 80 Cb 0.65 0.00 0.18 0.00 -0.84 0.00 0.00 28.75 28.74 3iaq h GLU 80 CO -0.09 0.42 -0.14 0.00 -1.40 0.00 0.00 179.01 177.81 3iaq n ALA 81 N -2.27 -0.86 -2.58 3.43 0.00 -0.94 -5.03 120.51 112.26 3iaq n ALA 81 Ca 0.00 -0.22 -0.21 0.00 0.00 0.00 0.00 53.44 53.02 3iaq n ALA 81 Cb 0.59 -1.99 -0.03 0.00 0.00 0.00 0.00 19.45 18.01 3iaq n ALA 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3iaq s ASP 82 N -1.57 5.45 -0.33 0.00 1.01 0.29 -4.87 116.67 116.65 3iaq s ASP 82 Ca 0.69 -0.39 -0.15 0.00 0.71 0.00 0.00 52.55 53.41 3iaq s ASP 82 Cb -0.35 -1.13 -0.02 0.00 1.01 0.00 0.00 42.92 42.44 3iaq s ASP 82 CO 0.54 -0.28 0.36 -0.89 0.21 0.00 0.00 175.17 175.11 3iaq s THR 83 N -2.24 5.17 0.25 -1.27 2.01 -1.26 -0.72 115.64 117.57 3iaq s THR 83 Ca 0.39 0.11 0.08 0.00 0.31 0.00 0.00 61.69 62.58 3iaq s THR 83 Cb -0.07 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 68.59 3iaq s THR 83 CO 0.27 -0.06 -0.11 0.68 -0.69 0.00 0.00 174.62 174.71 3iaq s VAL 84 N 2.03 1.76 0.06 3.82 -7.23 -0.64 -4.96 120.40 115.25 3iaq s VAL 84 Ca 0.12 -2.19 -0.22 0.00 -1.81 0.00 0.00 61.98 57.88 3iaq s VAL 84 Cb -0.16 -2.27 -0.06 0.00 0.56 0.00 0.00 36.38 34.44 3iaq s VAL 84 CO 0.11 -0.43 0.66 -0.69 -0.31 0.00 0.00 175.10 174.44 3iaq s VAL 85 N -2.95 4.71 -0.05 1.32 1.01 -1.26 -0.25 120.40 122.94 3iaq s VAL 85 Ca 0.27 1.41 0.03 0.00 0.00 0.00 0.00 61.98 63.69 3iaq s VAL 85 Cb 0.01 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.39 3iaq s VAL 85 CO 0.10 0.47 -0.12 -0.69 0.00 0.00 0.00 175.10 174.86 3iaq s VAL 86 N -0.64 1.04 0.50 2.92 1.01 -0.02 -4.06 120.40 121.15 3iaq s VAL 86 Ca 0.33 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.63 3iaq s VAL 86 Cb -0.20 -0.93 -0.07 0.00 0.00 0.00 0.00 36.38 35.18 3iaq s VAL 86 CO 0.21 0.32 1.15 -2.16 0.00 0.00 0.00 175.10 174.62 3iaq s PRO 87 N 0.39 3.56 -0.11 2.72 0.04 -1.26 -1.62 135.00 138.72 3iaq s PRO 87 Ca -0.08 1.70 -0.30 0.00 0.04 0.00 0.00 61.00 62.36 3iaq s PRO 87 Cb -0.12 -2.21 0.12 0.00 0.04 0.00 0.00 34.50 32.33 3iaq s PRO 87 CO 0.02 -0.70 0.98 -1.54 0.04 0.00 0.00 177.00 175.80 3iaq s SER 88 N -1.56 -0.34 -0.12 6.66 1.04 0.71 -4.93 113.70 115.16 3iaq s SER 88 Ca 0.68 0.21 -0.14 0.00 0.48 0.00 0.00 55.95 57.18 3iaq s SER 88 Cb -0.26 0.31 -0.05 0.00 0.10 0.00 0.00 66.02 66.12 3iaq s SER 88 CO 0.31 -0.43 0.32 0.20 0.98 0.00 0.00 173.24 174.62 3iaq s ASN 89 N -1.71 6.53 0.14 7.02 -0.87 -1.26 -3.28 114.94 121.50 3iaq s ASN 89 Ca 0.02 0.62 0.22 0.00 -1.57 0.00 0.00 52.86 52.15 3iaq s ASN 89 Cb -0.01 -2.20 0.87 0.00 -0.02 0.00 0.00 41.25 39.90 3iaq s ASN 89 CO -0.03 0.16 1.67 -2.67 -2.57 0.00 0.00 177.10 173.65 3iaq n TRP 90 N 3.12 0.47 0.19 2.20 2.14 -1.03 -1.14 117.44 123.40 3iaq n TRP 90 Ca -0.12 0.17 0.05 0.00 2.07 0.00 0.00 57.50 59.67 3iaq n TRP 90 Cb 0.52 -0.78 0.37 0.00 -0.81 0.00 0.00 31.31 30.61 3iaq n TRP 90 CO 0.00 0.00 0.00 1.96 2.07 0.00 0.00 177.69 181.72 3iaq h GLN 91 N 0.00 0.00 0.00 -2.67 7.50 -1.81 -2.25 115.11 115.88 3iaq h GLN 91 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3iaq h GLN 91 Cb 0.40 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.93 3iaq h GLN 91 CO 0.00 0.37 0.00 -1.33 -1.50 0.00 0.00 178.83 176.37 3iaq n MET 92 N -3.65 0.23 -0.12 1.46 2.81 -0.29 -2.16 117.12 115.39 3iaq n MET 92 Ca -0.01 0.23 0.11 0.00 -1.81 0.00 0.00 57.70 56.22 3iaq n MET 92 Cb 0.47 -1.79 0.17 0.00 -0.71 0.00 0.00 33.22 31.35 3iaq n MET 92 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3iaq n HIS 93 N -2.20 0.33 -1.80 2.03 8.25 -1.17 -4.99 115.22 115.67 3iaq n HIS 93 Ca 0.05 -0.18 -0.01 0.00 -0.26 0.00 0.00 57.72 57.32 3iaq n HIS 93 Cb 0.39 -0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.50 3iaq n HIS 93 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3iaq n GLY 94 N 1.32 0.35 0.12 -1.41 0.00 -0.92 -4.97 105.19 99.68 3iaq n GLY 94 Ca 0.16 -0.88 -0.15 0.00 0.00 0.00 0.00 46.02 45.16 3iaq n GLY 94 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3iaq h TYR 95 N 0.00 0.50 -3.00 1.61 0.05 -1.63 -3.47 116.97 111.03 3iaq h TYR 95 Ca -0.03 -0.33 -0.13 0.00 0.05 0.00 0.00 58.73 58.29 3iaq h TYR 95 Cb 0.81 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 38.48 3iaq h TYR 95 CO 0.04 1.22 -0.04 -0.40 -1.05 0.00 0.00 178.16 177.93 3iaq n ASP 96 N -3.59 -0.84 -4.76 3.88 5.68 -1.26 -5.05 116.55 110.61 3iaq n ASP 96 Ca -0.07 -2.01 -0.38 0.00 -0.50 0.00 0.00 54.79 51.82 3iaq n ASP 96 Cb 0.96 1.52 -0.06 0.00 -1.14 0.00 0.00 41.12 42.40 3iaq n ASP 96 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3iaq s ALA 97 N -2.11 3.50 0.34 2.12 0.00 -1.26 -4.47 121.76 119.88 3iaq s ALA 97 Ca 0.15 -0.05 -0.27 0.00 0.00 0.00 0.00 51.96 51.78 3iaq s ALA 97 Cb -0.01 -2.68 -0.09 0.00 0.00 0.00 0.00 23.12 20.33 3iaq s ALA 97 CO 0.10 0.15 1.18 -1.25 0.00 0.00 0.00 175.76 175.94 3iaq s PRO 98 N -0.03 4.34 -0.19 0.00 0.04 -1.26 -5.01 135.00 132.88 3iaq s PRO 98 Ca 0.29 1.91 -0.03 0.00 0.04 0.00 0.00 61.00 63.21 3iaq s PRO 98 Cb -0.17 -2.95 -0.01 0.00 0.04 0.00 0.00 34.50 31.41 3iaq s PRO 98 CO 0.15 -0.10 -0.05 0.42 0.04 0.00 0.00 177.00 177.46 3iaq s ILE 99 N -1.27 3.47 -0.36 0.56 1.01 -1.09 -4.69 121.20 118.84 3iaq s ILE 99 Ca 0.51 -0.48 -0.12 0.00 0.00 0.00 0.00 60.65 60.56 3iaq s ILE 99 Cb -0.33 -2.55 0.00 0.00 0.01 0.00 0.00 42.46 39.59 3iaq s ILE 99 CO 0.43 0.45 0.23 -0.47 0.00 0.00 0.00 174.94 175.57 3iaq s TYR 100 N 1.09 3.22 0.05 3.97 5.04 -1.26 0.10 117.35 129.56 3iaq s TYR 100 Ca 0.01 -0.51 0.04 0.00 -2.44 0.00 0.00 57.07 54.17 3iaq s TYR 100 Cb -0.15 -2.47 -0.02 0.00 0.35 0.00 0.00 41.96 39.67 3iaq s TYR 100 CO -0.00 -0.49 -0.12 -0.08 -1.34 0.00 0.00 175.55 173.52 3iaq s THR 101 N 1.66 0.94 -0.07 4.34 -1.32 -1.26 -2.58 115.64 117.36 3iaq s THR 101 Ca 0.05 -1.11 -0.04 0.00 -1.21 0.00 0.00 61.69 59.38 3iaq s THR 101 Cb -0.18 -0.91 -0.01 0.00 -1.51 0.00 0.00 72.50 69.89 3iaq s THR 101 CO 0.09 -0.18 -0.08 -1.13 -2.21 0.00 0.00 174.62 171.11 3iaq h ASN 102 N 4.62 0.00 0.00 8.08 -0.73 -1.90 -3.30 115.58 122.34 3iaq h ASN 102 Ca -0.38 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.79 3iaq h ASN 102 Cb 1.19 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.78 3iaq h ASN 102 CO 0.42 0.36 -0.51 0.52 -0.37 0.00 0.00 177.43 177.84 3iaq n VAL 103 N -3.41 1.27 -1.68 2.57 0.31 -1.26 -3.76 118.33 112.37 3iaq n VAL 103 Ca -0.03 0.26 -0.47 0.00 -0.01 0.00 0.00 64.34 64.09 3iaq n VAL 103 Cb 0.11 -1.95 -0.04 0.00 -0.91 0.00 0.00 33.84 31.05 3iaq n VAL 103 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3iaq n THR 104 N -3.91 0.36 -1.58 2.52 -1.04 -1.26 -3.54 114.28 105.83 3iaq n THR 104 Ca -0.07 -0.06 -0.41 0.00 -2.04 0.00 0.00 64.05 61.46 3iaq n THR 104 Cb 0.27 -1.77 0.01 0.00 -1.82 0.00 0.00 70.33 67.02 3iaq n THR 104 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3iaq n TYR 105 N 5.40 0.82 0.97 -1.42 4.01 -1.26 -4.86 117.16 120.82 3iaq n TYR 105 Ca 0.20 0.56 0.09 0.00 -0.16 0.00 0.00 57.90 58.59 3iaq n TYR 105 Cb 0.30 -2.17 0.49 0.00 -0.31 0.00 0.00 39.34 37.64 3iaq n TYR 105 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3iaq n PRO 106 N 0.15 0.40 -4.30 -0.72 -0.04 -1.26 -4.74 135.00 124.49 3iaq n PRO 106 Ca 0.10 0.06 -0.16 0.00 -0.04 0.00 0.00 63.50 63.47 3iaq n PRO 106 Cb 0.40 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 3iaq n PRO 106 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3iaq s ILE 107 N -2.30 1.23 0.15 0.52 -4.36 -1.26 -5.07 121.20 110.11 3iaq s ILE 107 Ca 0.22 -2.08 -0.31 0.00 -0.26 0.00 0.00 60.65 58.22 3iaq s ILE 107 Cb 0.12 -2.06 -0.11 0.00 1.25 0.00 0.00 42.46 41.67 3iaq s ILE 107 CO 0.24 -0.57 1.80 -0.89 0.24 0.00 0.00 174.94 175.75 3iaq s THR 108 N -3.29 2.41 -0.93 8.37 2.01 -1.26 -4.86 115.64 118.09 3iaq s THR 108 Ca 0.22 0.05 -0.24 0.00 0.31 0.00 0.00 61.69 62.02 3iaq s THR 108 Cb 0.03 -3.03 -0.06 0.00 0.01 0.00 0.00 72.50 69.44 3iaq s THR 108 CO 0.04 0.00 1.99 -0.69 -0.69 0.00 0.00 174.62 175.28 3iaq s VAL 109 N 2.31 3.41 -0.39 3.82 1.01 -1.26 -4.75 120.40 124.55 3iaq s VAL 109 Ca 0.79 -0.40 0.10 0.00 0.00 0.00 0.00 61.98 62.47 3iaq s VAL 109 Cb -0.47 -3.98 0.30 0.00 0.00 0.00 0.00 36.38 32.23 3iaq s VAL 109 CO 0.35 -0.85 0.66 -3.20 0.00 0.00 0.00 175.10 172.06 3iaq n ASN 110 N 14.56 0.20 -4.74 3.32 5.15 -1.26 -5.12 115.26 127.37 3iaq n ASN 110 Ca 0.41 -2.91 -0.41 0.00 -0.60 0.00 0.00 54.58 51.07 3iaq n ASN 110 Cb 0.46 -0.39 -0.02 0.00 -0.53 0.00 0.00 39.78 39.30 3iaq n ASN 110 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3iaq s PRO 111 N -1.58 4.29 0.00 1.20 0.04 -1.26 0.16 135.00 137.85 3iaq s PRO 111 Ca 0.36 2.26 0.22 0.00 0.04 0.00 0.00 61.00 63.88 3iaq s PRO 111 Cb 0.26 -3.13 0.55 0.00 0.04 0.00 0.00 34.50 32.22 3iaq s PRO 111 CO -0.10 -0.39 1.46 -0.35 0.04 0.00 0.00 177.00 177.66 3iaq n PRO 112 N 2.40 2.17 -2.54 0.56 -0.04 -1.26 -5.13 135.00 131.15 3iaq n PRO 112 Ca 0.07 -1.75 -0.35 0.00 -0.04 0.00 0.00 63.50 61.42 3iaq n PRO 112 Cb 0.41 -1.46 -0.04 0.00 -0.04 0.00 0.00 33.50 32.37 3iaq n PRO 112 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3iaq s PHE 113 N -1.65 3.12 0.42 0.54 0.08 0.12 -4.28 117.98 116.33 3iaq s PHE 113 Ca 0.35 1.61 0.07 0.00 0.12 0.00 0.00 56.93 59.08 3iaq s PHE 113 Cb 0.20 -3.10 -0.06 0.00 -0.57 0.00 0.00 43.02 39.49 3iaq s PHE 113 CO 0.29 -0.74 0.08 0.14 -0.10 0.00 0.00 175.22 174.89 3iaq s VAL 114 N -1.83 2.05 0.51 -0.44 -7.23 -1.26 -4.52 120.40 107.67 3iaq s VAL 114 Ca 0.63 -1.87 -0.23 0.00 -1.81 0.00 0.00 61.98 58.70 3iaq s VAL 114 Cb -0.19 -2.92 -0.06 0.00 0.56 0.00 0.00 36.38 33.77 3iaq s VAL 114 CO 0.23 0.00 1.36 -2.84 -0.31 0.00 0.00 175.10 173.54 3iaq s PRO 115 N -3.81 3.39 0.27 4.82 0.02 -1.26 -4.92 135.00 133.51 3iaq s PRO 115 Ca 0.35 2.24 -0.02 0.00 0.02 0.00 0.00 61.00 63.59 3iaq s PRO 115 Cb 0.07 -2.41 0.38 0.00 0.02 0.00 0.00 34.50 32.56 3iaq s PRO 115 CO 0.19 -1.00 1.84 1.79 -0.33 0.00 0.00 177.00 179.49 3iaq h THR 116 N 1.77 1.23 -1.30 0.99 1.35 -1.99 -3.30 112.91 111.65 3iaq h THR 116 Ca -0.51 -0.75 -0.61 0.00 -0.55 0.00 0.00 66.41 63.99 3iaq h THR 116 Cb 1.28 0.53 -0.11 0.00 -1.73 0.00 0.00 68.15 68.13 3iaq h THR 116 CO 0.59 0.29 1.41 -1.61 -0.25 0.00 0.00 175.52 175.95 3iaq s GLU 117 N -5.35 3.58 -0.34 4.72 2.02 -1.26 -4.78 118.70 117.29 3iaq s GLU 117 Ca -0.10 -1.18 0.03 0.00 0.02 0.00 0.00 54.97 53.74 3iaq s GLU 117 Cb 0.16 -5.28 0.10 0.00 0.10 0.00 0.00 34.13 29.21 3iaq s GLU 117 CO 0.80 -2.15 0.06 1.21 0.02 0.00 0.00 175.26 175.21 3iaq s ASN 118 N 4.78 4.66 0.01 -0.19 2.47 -0.74 -4.98 114.94 120.97 3iaq s ASN 118 Ca 0.44 -2.13 -0.38 0.00 0.42 0.00 0.00 52.86 51.21 3iaq s ASN 118 Cb -0.01 -1.54 -0.17 0.00 -1.45 0.00 0.00 41.25 38.08 3iaq s ASN 118 CO -0.09 -0.38 1.35 -2.65 -3.72 0.00 0.00 177.10 171.61 3iaq n PRO 119 N 4.27 0.94 -4.77 0.43 -0.02 -1.15 -3.60 135.00 131.11 3iaq n PRO 119 Ca 0.03 0.34 -0.33 0.00 -2.02 0.00 0.00 63.50 61.53 3iaq n PRO 119 Cb 0.42 -1.96 -0.16 0.00 -0.02 0.00 0.00 33.50 31.77 3iaq n PRO 119 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3iaq s THR 120 N 0.84 2.20 -0.36 3.45 2.01 0.94 -2.21 115.64 122.51 3iaq s THR 120 Ca 0.88 -0.94 -0.11 0.00 0.31 0.00 0.00 61.69 61.83 3iaq s THR 120 Cb -1.03 -1.88 0.02 0.00 0.01 0.00 0.00 72.50 69.62 3iaq s THR 120 CO 0.51 0.55 0.20 -0.83 -0.69 0.00 0.00 174.62 174.36 3iaq s GLY 121 N 0.69 1.92 -0.41 4.40 0.00 0.41 -0.75 107.32 113.58 3iaq s GLY 121 Ca -0.10 -1.63 -0.17 0.00 0.00 0.00 0.00 44.72 42.82 3iaq s GLY 121 CO 0.01 0.81 0.43 0.00 0.00 0.00 0.00 173.10 174.35 3iaq s TYR 123 N 2.13 2.93 0.06 0.00 1.51 0.30 -0.44 117.35 123.84 3iaq s TYR 123 Ca 0.12 -0.02 -0.12 0.00 -1.01 0.00 0.00 57.07 56.04 3iaq s TYR 123 Cb -0.17 -1.60 0.01 0.00 -0.11 0.00 0.00 41.96 40.09 3iaq s TYR 123 CO 0.13 0.41 0.28 -1.54 -1.11 0.00 0.00 175.55 173.72 3iaq s SER 124 N -1.61 -0.06 -0.19 2.29 1.04 0.29 -0.10 113.70 115.36 3iaq s SER 124 Ca 0.19 -0.32 -0.11 0.00 0.48 0.00 0.00 55.95 56.18 3iaq s SER 124 Cb -0.11 0.36 0.06 0.00 0.10 0.00 0.00 66.02 66.43 3iaq s SER 124 CO 0.10 -0.66 0.46 -0.22 0.98 0.00 0.00 173.24 173.90 3iaq s LEU 125 N -2.31 -0.20 -0.25 2.42 2.96 -1.19 -0.94 118.68 119.17 3iaq s LEU 125 Ca -0.02 1.00 -0.14 0.00 -0.22 0.00 0.00 54.13 54.75 3iaq s LEU 125 Cb 0.01 1.55 -0.04 0.00 0.50 0.00 0.00 46.19 48.20 3iaq s LEU 125 CO -0.06 -0.20 0.31 -0.89 -1.32 0.00 0.00 176.35 174.19 3iaq s THR 126 N 1.32 5.24 0.16 3.68 2.01 -1.26 -1.69 115.64 125.09 3iaq s THR 126 Ca -0.09 0.45 -0.01 0.00 0.31 0.00 0.00 61.69 62.36 3iaq s THR 126 Cb -0.07 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 3iaq s THR 126 CO -0.13 0.23 0.07 0.72 -0.69 0.00 0.00 174.62 174.82 3iaq s PHE 127 N 1.67 1.02 0.12 4.92 -0.71 -0.25 -4.96 117.98 119.79 3iaq s PHE 127 Ca 0.13 -1.24 0.08 0.00 -1.04 0.00 0.00 56.93 54.86 3iaq s PHE 127 Cb -0.15 -0.55 -0.04 0.00 -1.21 0.00 0.00 43.02 41.07 3iaq s PHE 127 CO 0.09 -0.50 -0.19 -0.80 -1.34 0.00 0.00 175.22 172.48 3iaq s ASN 128 N -3.11 2.52 0.24 1.98 0.01 -1.26 -1.00 114.94 114.32 3iaq s ASN 128 Ca 0.28 -0.75 0.08 0.00 -0.71 0.00 0.00 52.86 51.77 3iaq s ASN 128 Cb 0.07 -0.14 -0.04 0.00 0.41 0.00 0.00 41.25 41.55 3iaq s ASN 128 CO 0.05 0.01 0.04 -0.69 -1.51 0.00 0.00 177.10 175.00 3iaq s VAL 129 N -1.54 3.73 0.49 1.60 1.01 -1.26 -5.06 120.40 119.37 3iaq s VAL 129 Ca 0.09 -1.67 -0.22 0.00 0.00 0.00 0.00 61.98 60.18 3iaq s VAL 129 Cb -0.08 -2.97 -0.07 0.00 0.00 0.00 0.00 36.38 33.26 3iaq s VAL 129 CO 0.05 -0.30 1.16 -0.62 0.00 0.00 0.00 175.10 175.40 3iaq s ASP 130 N -3.51 5.99 0.18 3.32 2.15 -1.26 -4.94 116.67 118.60 3iaq s ASP 130 Ca 0.31 2.29 -0.13 0.00 0.43 0.00 0.00 52.55 55.45 3iaq s ASP 130 Cb -0.07 -2.60 0.17 0.00 -0.30 0.00 0.00 42.92 40.12 3iaq s ASP 130 CO 0.21 -1.04 1.74 -0.08 -0.17 0.00 0.00 175.17 175.83 3iaq h GLU 131 N 1.77 0.31 0.00 4.34 4.57 -2.01 -2.51 114.58 121.06 3iaq h GLU 131 Ca -0.50 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 57.64 3iaq h GLU 131 Cb 1.25 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.77 3iaq h GLU 131 CO 0.59 0.21 -0.13 0.66 -1.18 0.00 0.00 179.01 179.15 3iaq h SER 132 N 0.32 0.00 0.23 1.04 4.64 -1.94 -1.17 113.55 116.67 3iaq h SER 132 Ca 0.24 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.48 3iaq h SER 132 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 3iaq h SER 132 CO -0.26 0.13 -0.30 -0.50 -0.87 0.00 0.00 176.83 175.04 3iaq h TRP 133 N 0.00 0.13 0.10 4.77 4.06 -1.64 -1.33 115.95 122.04 3iaq h TRP 133 Ca -0.00 -0.02 -0.29 0.00 2.06 0.00 0.00 58.89 60.64 3iaq h TRP 133 Cb 0.26 -0.03 0.03 0.00 -1.00 0.00 0.00 29.16 28.41 3iaq h TRP 133 CO 0.00 0.41 -1.18 -0.07 -3.56 0.00 0.00 178.44 174.04 3iaq h LEU 134 N 0.11 0.87 0.14 -4.49 3.38 -1.22 -3.36 115.31 110.74 3iaq h LEU 134 Ca 0.01 -0.81 0.01 0.00 0.09 0.00 0.00 57.88 57.18 3iaq h LEU 134 Cb 0.59 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 3iaq h LEU 134 CO 0.04 1.58 -0.52 1.56 0.09 0.00 0.00 178.44 181.20 3iaq h GLN 135 N 0.26 -0.73 -4.05 1.13 4.20 -0.93 -3.47 115.11 111.53 3iaq h GLN 135 Ca -0.17 0.05 -0.17 0.00 0.06 0.00 0.00 58.65 58.42 3iaq h GLN 135 Cb 1.85 0.17 -0.11 0.00 0.30 0.00 0.00 27.48 29.69 3iaq h GLN 135 CO 0.23 -0.49 -0.29 -1.21 -0.67 0.00 0.00 178.83 176.40 3iaq s GLU 136 N -5.71 1.53 0.02 1.46 0.41 -0.53 -5.10 118.70 110.78 3iaq s GLU 136 Ca -0.16 -1.49 0.00 0.00 -0.41 0.00 0.00 54.97 52.91 3iaq s GLU 136 Cb 0.06 0.40 0.00 0.00 -1.78 0.00 0.00 34.13 32.81 3iaq s GLU 136 CO 0.59 -0.60 0.00 0.41 -0.49 0.00 0.00 175.26 175.17 3iaq n GLY 137 N -0.39 -3.62 3.20 -1.39 0.00 -1.26 -4.35 105.19 97.38 3iaq n GLY 137 Ca 0.00 -2.04 -0.35 0.00 0.00 0.00 0.00 46.02 43.63 3iaq n GLY 137 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3iaq s GLN 138 N -0.77 2.73 -0.38 1.61 0.74 0.11 -4.87 119.66 118.82 3iaq s GLN 138 Ca 0.00 -1.05 -0.12 0.00 0.05 0.00 0.00 55.36 54.24 3iaq s GLN 138 Cb 0.00 -3.06 0.03 0.00 1.10 0.00 0.00 33.01 31.08 3iaq s GLN 138 CO 0.00 -0.46 0.22 0.99 -0.55 0.00 0.00 175.29 175.49 3iaq s THR 139 N 1.31 4.67 0.20 -0.34 2.01 -1.26 0.30 115.64 122.53 3iaq s THR 139 Ca -0.01 -0.85 0.07 0.00 0.31 0.00 0.00 61.69 61.20 3iaq s THR 139 Cb -0.18 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 3iaq s THR 139 CO -0.03 -0.26 0.10 0.00 -0.69 0.00 0.00 174.62 173.74 3iaq s ARG 140 N 1.57 2.71 -0.12 4.92 1.70 -0.13 -0.52 118.95 129.08 3iaq s ARG 140 Ca 0.02 -1.03 -0.02 0.00 -0.47 0.00 0.00 55.73 54.23 3iaq s ARG 140 Cb -0.19 -2.50 -0.03 0.00 -0.57 0.00 0.00 34.95 31.66 3iaq s ARG 140 CO 0.07 0.44 -0.04 -1.50 -1.08 0.00 0.00 175.30 173.20 3iaq s ILE 141 N -1.90 3.95 -0.17 4.99 2.07 0.05 -1.01 121.20 129.17 3iaq s ILE 141 Ca 0.31 -0.36 -0.02 0.00 -1.41 0.00 0.00 60.65 59.16 3iaq s ILE 141 Cb -0.09 -2.69 -0.01 0.00 0.13 0.00 0.00 42.46 39.80 3iaq s ILE 141 CO 0.22 0.54 -0.08 -0.63 -1.91 0.00 0.00 174.94 173.08 3iaq s ILE 142 N -0.14 3.30 -0.45 2.00 1.01 0.36 -2.18 121.20 125.09 3iaq s ILE 142 Ca 0.03 -0.55 -0.04 0.00 0.00 0.00 0.00 60.65 60.10 3iaq s ILE 142 Cb -0.13 -2.45 0.12 0.00 0.01 0.00 0.00 42.46 40.01 3iaq s ILE 142 CO 0.02 0.48 0.26 -0.36 0.00 0.00 0.00 174.94 175.34 3iaq s PHE 143 N 0.87 3.54 0.43 3.97 0.40 -0.43 -1.74 117.98 125.01 3iaq s PHE 143 Ca -0.02 -2.42 0.13 0.00 -0.60 0.00 0.00 56.93 54.02 3iaq s PHE 143 Cb -0.15 -3.25 0.93 0.00 0.51 0.00 0.00 43.02 41.06 3iaq s PHE 143 CO 0.01 -0.95 1.96 -0.44 0.70 0.00 0.00 175.22 176.50 3iaq h ASP 144 N 7.91 0.06 -1.26 1.36 3.32 -1.50 0.16 116.42 126.48 3iaq h ASP 144 Ca -0.12 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 56.97 3iaq h ASP 144 Cb 1.03 -0.01 -0.22 0.00 0.22 0.00 0.00 39.33 40.35 3iaq h ASP 144 CO 0.72 0.24 -0.29 -0.83 -1.72 0.00 0.00 179.24 177.36 3iaq s GLY 145 N -4.16 -0.87 -0.08 2.75 0.00 -1.26 -3.39 107.32 100.31 3iaq s GLY 145 Ca -0.04 1.75 0.02 0.00 0.00 0.00 0.00 44.72 46.45 3iaq s GLY 145 CO 0.71 3.22 -0.12 0.14 0.00 0.00 0.00 173.10 177.05 3iaq s VAL 146 N 2.81 1.15 -0.23 1.40 1.01 -1.25 -1.67 120.40 123.63 3iaq s VAL 146 Ca 0.17 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 61.67 3iaq s VAL 146 Cb -0.15 -1.08 0.02 0.00 0.00 0.00 0.00 36.38 35.18 3iaq s VAL 146 CO -0.20 0.37 -0.09 0.21 0.00 0.00 0.00 175.10 175.38 3iaq s ASN 147 N 0.89 4.03 -0.00 3.32 3.84 -0.15 -3.91 114.94 122.97 3iaq s ASN 147 Ca -0.10 -0.76 0.08 0.00 0.21 0.00 0.00 52.86 52.29 3iaq s ASN 147 Cb -0.15 -1.63 -0.10 0.00 -0.55 0.00 0.00 41.25 38.83 3iaq s ASN 147 CO 0.01 -0.08 0.26 -1.54 -2.79 0.00 0.00 177.10 172.96 3iaq n SER 148 N 4.67 1.46 -3.63 -4.21 3.41 -0.50 -0.67 113.62 114.15 3iaq n SER 148 Ca -0.18 -0.42 -0.12 0.00 -0.26 0.00 0.00 58.87 57.90 3iaq n SER 148 Cb 0.48 1.14 -0.05 0.00 -0.26 0.00 0.00 64.21 65.51 3iaq n SER 148 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iaq s ALA 149 N -2.02 -1.04 -0.03 7.33 0.00 -1.15 -3.53 121.76 121.32 3iaq s ALA 149 Ca 0.01 0.22 -0.26 0.00 0.00 0.00 0.00 51.96 51.93 3iaq s ALA 149 Cb 0.05 0.50 0.06 0.00 0.00 0.00 0.00 23.12 23.73 3iaq s ALA 149 CO 0.31 -0.54 0.57 -0.59 0.00 0.00 0.00 175.76 175.51 3iaq s PHE 150 N -3.01 -0.52 -0.04 0.00 -0.71 -0.95 -0.44 117.98 112.32 3iaq s PHE 150 Ca -0.02 0.84 -0.02 0.00 -1.04 0.00 0.00 56.93 56.69 3iaq s PHE 150 Cb 0.00 0.33 -0.04 0.00 -1.21 0.00 0.00 43.02 42.11 3iaq s PHE 150 CO -0.06 -0.57 0.10 -1.01 -1.34 0.00 0.00 175.22 172.34 3iaq s HIS 151 N -1.40 3.37 -0.07 3.49 3.76 -0.52 -1.89 115.29 122.03 3iaq s HIS 151 Ca -0.11 0.29 0.05 0.00 -0.15 0.00 0.00 55.06 55.14 3iaq s HIS 151 Cb -0.01 -1.80 -0.01 0.00 1.11 0.00 0.00 32.58 31.87 3iaq s HIS 151 CO 0.07 0.59 -0.23 -1.17 -0.85 0.00 0.00 174.74 173.15 3iaq s LEU 152 N -1.50 2.16 0.16 0.89 2.96 -0.50 -1.35 118.68 121.50 3iaq s LEU 152 Ca 0.20 -0.48 0.10 0.00 -0.22 0.00 0.00 54.13 53.73 3iaq s LEU 152 Cb -0.12 -1.40 -0.04 0.00 0.50 0.00 0.00 46.19 45.12 3iaq s LEU 152 CO 0.11 0.24 -0.22 0.26 -1.32 0.00 0.00 176.35 175.42 3iaq s TRP 153 N -0.11 2.03 -0.04 5.38 0.51 0.73 -1.09 118.94 126.36 3iaq s TRP 153 Ca -0.05 -0.41 0.01 0.00 -2.12 0.00 0.00 56.10 53.53 3iaq s TRP 153 Cb -0.14 -1.04 0.02 0.00 -0.81 0.00 0.00 33.47 31.50 3iaq s TRP 153 CO 0.04 0.36 -0.03 0.00 -0.51 0.00 0.00 176.95 176.82 3iaq n ASN 155 N 4.19 -2.86 0.00 0.00 3.02 0.33 -0.51 115.26 119.43 3iaq n ASN 155 Ca -0.23 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.24 3iaq n ASN 155 Cb 0.51 -2.42 0.00 0.00 -0.61 0.00 0.00 39.78 37.26 3iaq n ASN 155 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iaq n GLY 156 N -1.31 3.18 3.83 7.41 0.00 -1.21 -5.01 105.19 112.09 3iaq n GLY 156 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 3iaq n GLY 156 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iaq s ARG 157 N -0.45 3.99 0.13 1.61 0.52 0.34 -4.92 118.95 120.17 3iaq s ARG 157 Ca 0.00 0.50 -0.30 0.00 -0.52 0.00 0.00 55.73 55.41 3iaq s ARG 157 Cb 0.00 -3.20 -0.07 0.00 0.52 0.00 0.00 34.95 32.20 3iaq s ARG 157 CO 0.00 0.66 1.16 -0.46 0.02 0.00 0.00 175.30 176.69 3iaq s TRP 158 N -1.12 3.49 -0.17 -0.53 -0.00 -1.26 0.54 118.94 119.89 3iaq s TRP 158 Ca 0.26 1.43 -0.13 0.00 -0.00 0.00 0.00 56.10 57.66 3iaq s TRP 158 Cb -0.17 -3.37 -0.07 0.00 -0.00 0.00 0.00 33.47 29.85 3iaq s TRP 158 CO 0.15 -1.03 -0.29 0.28 -0.00 0.00 0.00 176.95 176.06 3iaq n VAL 159 N 3.07 1.37 -3.85 5.86 0.31 -0.25 -4.88 118.33 119.96 3iaq n VAL 159 Ca 0.06 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 3iaq n VAL 159 Cb 0.46 -2.05 0.01 0.00 -0.91 0.00 0.00 33.84 31.35 3iaq n VAL 159 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3iaq n GLY 160 N 1.73 0.58 3.10 2.92 0.00 -1.19 -4.74 105.19 107.60 3iaq n GLY 160 Ca -0.25 -1.00 -0.15 0.00 0.00 0.00 0.00 46.02 44.62 3iaq n GLY 160 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3iaq s TYR 161 N -2.95 0.87 0.03 1.61 6.14 -0.50 -1.41 117.35 121.14 3iaq s TYR 161 Ca 0.16 -0.47 -0.10 0.00 0.64 0.00 0.00 57.07 57.30 3iaq s TYR 161 Cb -0.01 -0.51 0.01 0.00 0.42 0.00 0.00 41.96 41.87 3iaq s TYR 161 CO 0.01 -0.03 0.21 0.20 0.64 0.00 0.00 175.55 176.59 3iaq s GLY 162 N -1.58 -0.00 0.32 8.97 0.00 -0.79 -0.10 107.32 114.14 3iaq s GLY 162 Ca -0.06 -0.19 0.05 0.00 0.00 0.00 0.00 44.72 44.51 3iaq s GLY 162 CO 0.01 -0.37 0.22 1.20 0.00 0.00 0.00 173.10 174.15 3iaq s GLN 163 N -2.41 1.68 -0.00 2.90 -0.21 -0.49 -2.24 119.66 118.90 3iaq s GLN 163 Ca -0.06 -1.98 -0.00 0.00 0.02 0.00 0.00 55.36 53.34 3iaq s GLN 163 Cb -0.02 0.11 0.00 0.00 1.00 0.00 0.00 33.01 34.10 3iaq s GLN 163 CO -0.03 -0.56 0.00 -3.47 -2.12 0.00 0.00 175.29 169.11 3iaq n ASP 164 N -1.25 -2.11 0.11 5.90 -0.08 -1.23 -4.92 116.55 112.97 3iaq n ASP 164 Ca 0.04 0.04 0.11 0.00 -1.51 0.00 0.00 54.79 53.47 3iaq n ASP 164 Cb 0.64 -1.10 0.46 0.00 2.34 0.00 0.00 41.12 43.46 3iaq n ASP 164 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 3iaq n SER 165 N 0.04 0.57 -0.09 1.67 7.64 -1.25 -3.71 113.62 118.49 3iaq n SER 165 Ca -0.00 0.63 0.01 0.00 1.01 0.00 0.00 58.87 60.52 3iaq n SER 165 Cb 0.01 -0.76 0.02 0.00 -1.01 0.00 0.00 64.21 62.47 3iaq n SER 165 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3iaq n ARG 166 N -2.12 1.05 -4.32 1.43 5.12 -1.26 -3.75 116.66 112.81 3iaq n ARG 166 Ca 0.03 -1.08 -0.21 0.00 -1.93 0.00 0.00 57.85 54.66 3iaq n ARG 166 Cb 0.24 -1.04 -0.13 0.00 -1.16 0.00 0.00 32.46 30.37 3iaq n ARG 166 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3iaq s LEU 167 N -0.56 2.22 0.38 0.55 1.43 -1.24 -4.49 118.68 116.97 3iaq s LEU 167 Ca 0.03 -0.55 -0.27 0.00 -1.03 0.00 0.00 54.13 52.31 3iaq s LEU 167 Cb 0.02 -0.66 -0.10 0.00 0.03 0.00 0.00 46.19 45.47 3iaq s LEU 167 CO 0.02 0.02 1.40 -2.16 0.23 0.00 0.00 176.35 175.86 3iaq s PRO 168 N -1.43 4.08 -0.20 1.29 0.04 -1.22 -4.63 135.00 132.93 3iaq s PRO 168 Ca 0.02 2.39 -0.02 0.00 0.04 0.00 0.00 61.00 63.42 3iaq s PRO 168 Cb -0.09 -2.91 -0.01 0.00 0.04 0.00 0.00 34.50 31.53 3iaq s PRO 168 CO 0.02 -0.48 -0.08 -1.12 0.04 0.00 0.00 177.00 175.38 3iaq s SER 169 N -0.39 4.08 -0.05 6.66 0.01 0.58 -4.94 113.70 119.64 3iaq s SER 169 Ca 0.54 -0.41 0.05 0.00 1.31 0.00 0.00 55.95 57.44 3iaq s SER 169 Cb -0.43 -1.68 -0.02 0.00 0.21 0.00 0.00 66.02 64.11 3iaq s SER 169 CO 0.57 0.02 -0.21 -1.61 0.41 0.00 0.00 173.24 172.43 3iaq s GLU 170 N 1.21 2.50 -0.01 12.44 2.02 -1.26 -1.32 118.70 134.28 3iaq s GLU 170 Ca 0.02 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.19 3iaq s GLU 170 Cb -0.14 -2.24 0.00 0.00 0.10 0.00 0.00 34.13 31.85 3iaq s GLU 170 CO -0.03 0.49 -0.01 -0.06 0.02 0.00 0.00 175.26 175.67 3iaq s PHE 171 N -0.41 0.16 0.02 1.61 0.40 -0.93 -0.10 117.98 118.72 3iaq s PHE 171 Ca 0.04 -0.01 -0.30 0.00 -0.60 0.00 0.00 56.93 56.06 3iaq s PHE 171 Cb -0.12 -0.14 -0.04 0.00 0.51 0.00 0.00 43.02 43.22 3iaq s PHE 171 CO 0.02 -0.02 1.12 0.34 0.70 0.00 0.00 175.22 177.37 3iaq s ASP 172 N 0.18 7.18 0.00 1.36 -1.08 -1.26 -0.77 116.67 122.28 3iaq s ASP 172 Ca -0.01 1.85 0.07 0.00 -0.52 0.00 0.00 52.55 53.94 3iaq s ASP 172 Cb -0.03 -2.57 0.15 0.00 -1.46 0.00 0.00 42.92 39.01 3iaq s ASP 172 CO -0.01 -0.41 1.02 0.18 0.52 0.00 0.00 175.17 176.47 3iaq n LEU 173 N 4.12 2.27 -0.13 -1.34 4.77 0.33 -4.78 117.00 122.23 3iaq n LEU 173 Ca 0.08 -1.64 -0.04 0.00 -0.03 0.00 0.00 56.01 54.38 3iaq n LEU 173 Cb 0.48 -0.10 0.02 0.00 -2.33 0.00 0.00 43.42 41.49 3iaq n LEU 173 CO 0.54 0.54 0.79 0.28 -1.33 0.00 0.00 177.39 178.21 3iaq h SER 174 N 1.41 -0.38 0.01 -1.43 0.02 -1.90 -0.86 113.55 110.43 3iaq h SER 174 Ca 0.00 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3iaq h SER 174 Cb 0.53 0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.33 3iaq h SER 174 CO 0.00 -0.13 -0.00 0.00 -1.14 0.00 0.00 176.83 175.56 3iaq n ALA 175 N -2.73 2.68 -0.07 3.77 0.00 -1.26 -3.57 120.51 119.33 3iaq n ALA 175 Ca 0.03 -0.22 -0.07 0.00 0.00 0.00 0.00 53.44 53.18 3iaq n ALA 175 Cb 0.23 -1.49 -0.11 0.00 0.00 0.00 0.00 19.45 18.08 3iaq n ALA 175 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3iaq n PHE 176 N -0.92 0.00 -2.27 0.00 3.01 -0.42 -5.03 117.46 111.84 3iaq n PHE 176 Ca 0.23 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.32 3iaq n PHE 176 Cb 0.13 -0.70 -0.01 0.00 -0.01 0.00 0.00 39.48 38.89 3iaq n PHE 176 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3iaq s LEU 177 N -5.09 4.03 0.29 4.37 1.43 -0.68 -4.81 118.68 118.22 3iaq s LEU 177 Ca -0.08 2.30 0.03 0.00 -1.03 0.00 0.00 54.13 55.35 3iaq s LEU 177 Cb 0.04 -4.22 -0.04 0.00 0.03 0.00 0.00 46.19 42.00 3iaq s LEU 177 CO 0.57 -0.88 0.14 0.00 0.23 0.00 0.00 176.35 176.41 3iaq s ARG 178 N -2.66 1.54 0.39 1.70 1.70 -1.26 -5.05 118.95 115.32 3iaq s ARG 178 Ca 0.63 -1.87 -0.26 0.00 -0.47 0.00 0.00 55.73 53.76 3iaq s ARG 178 Cb -0.29 -0.14 -0.09 0.00 -0.57 0.00 0.00 34.95 33.87 3iaq s ARG 178 CO 0.35 -0.41 1.16 0.00 -1.08 0.00 0.00 175.30 175.32 3iaq s ALA 179 N -3.65 3.19 0.00 7.88 0.00 -1.26 -4.78 121.76 123.14 3iaq s ALA 179 Ca 0.36 0.96 0.00 0.00 0.00 0.00 0.00 51.96 53.28 3iaq s ALA 179 Cb 0.06 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.80 3iaq s ALA 179 CO 0.16 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.86 3iaq n GLY 180 N 0.66 0.43 3.70 0.00 0.00 -1.26 -4.85 105.19 103.87 3iaq n GLY 180 Ca 0.04 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 3iaq n GLY 180 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iaq s GLU 181 N 0.00 4.38 0.10 1.61 0.41 -1.26 -4.49 118.70 119.45 3iaq s GLU 181 Ca 0.00 1.75 0.09 0.00 -0.41 0.00 0.00 54.97 56.41 3iaq s GLU 181 Cb 0.00 -3.45 -0.04 0.00 -1.78 0.00 0.00 34.13 28.86 3iaq s GLU 181 CO 0.00 -0.36 -0.22 -0.80 -0.49 0.00 0.00 175.26 173.39 3iaq s ASN 182 N 1.31 3.61 -0.09 -0.19 0.01 -0.17 -4.90 114.94 114.52 3iaq s ASN 182 Ca 0.58 -0.61 -0.00 0.00 -0.71 0.00 0.00 52.86 52.12 3iaq s ASN 182 Cb -0.28 -0.42 0.02 0.00 0.41 0.00 0.00 41.25 40.99 3iaq s ASN 182 CO 0.26 0.20 -0.05 -0.60 -1.51 0.00 0.00 177.10 175.39 3iaq s ARG 183 N -1.93 1.20 0.35 -0.60 3.52 -1.26 -1.09 118.95 119.13 3iaq s ARG 183 Ca 0.16 -0.14 -0.11 0.00 -0.13 0.00 0.00 55.73 55.50 3iaq s ARG 183 Cb -0.10 -1.32 -0.07 0.00 -1.56 0.00 0.00 34.95 31.90 3iaq s ARG 183 CO 0.07 -0.24 0.71 -0.51 -0.81 0.00 0.00 175.30 174.53 3iaq s LEU 184 N 1.63 3.97 -0.08 -0.88 1.43 -0.68 -0.52 118.68 123.54 3iaq s LEU 184 Ca 0.02 1.12 -0.03 0.00 -1.03 0.00 0.00 54.13 54.21 3iaq s LEU 184 Cb -0.13 -3.95 0.04 0.00 0.03 0.00 0.00 46.19 42.18 3iaq s LEU 184 CO -0.06 -0.28 0.06 0.00 0.23 0.00 0.00 176.35 176.31 3iaq s ALA 185 N -2.16 0.32 -0.23 4.21 0.00 -0.44 -3.15 121.76 120.31 3iaq s ALA 185 Ca 0.51 0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.52 3iaq s ALA 185 Cb -0.10 -0.74 0.05 0.00 0.00 0.00 0.00 23.12 22.32 3iaq s ALA 185 CO 0.25 -0.68 -0.11 0.08 0.00 0.00 0.00 175.76 175.31 3iaq s VAL 186 N 2.14 1.92 -0.41 0.00 1.01 0.86 -0.19 120.40 125.73 3iaq s VAL 186 Ca 0.04 -1.34 -0.15 0.00 0.00 0.00 0.00 61.98 60.53 3iaq s VAL 186 Cb -0.13 -2.02 0.03 0.00 0.00 0.00 0.00 36.38 34.26 3iaq s VAL 186 CO -0.05 0.06 0.30 -0.32 0.00 0.00 0.00 175.10 175.10 3iaq s MET 187 N 1.24 2.95 -0.21 2.72 1.75 -0.45 -0.54 119.30 126.76 3iaq s MET 187 Ca -0.05 -1.05 -0.08 0.00 -1.25 0.00 0.00 55.69 53.25 3iaq s MET 187 Cb -0.18 -3.97 -0.04 0.00 2.84 0.00 0.00 34.83 33.48 3iaq s MET 187 CO -0.07 -0.77 0.09 0.08 -0.65 0.00 0.00 175.02 173.70 3iaq s VAL 188 N 1.66 4.84 -0.18 10.11 1.01 0.25 -1.45 120.40 136.65 3iaq s VAL 188 Ca 0.05 -0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.93 3iaq s VAL 188 Cb -0.19 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 3iaq s VAL 188 CO 0.09 0.40 0.12 -0.76 0.00 0.00 0.00 175.10 174.96 3iaq s LEU 189 N 0.81 4.17 0.02 3.92 1.43 0.42 -0.44 118.68 129.01 3iaq s LEU 189 Ca 0.05 0.25 -0.22 0.00 -1.03 0.00 0.00 54.13 53.17 3iaq s LEU 189 Cb -0.13 -2.07 -0.16 0.00 0.03 0.00 0.00 46.19 43.86 3iaq s LEU 189 CO 0.02 0.22 1.32 -0.09 0.23 0.00 0.00 176.35 178.06 3iaq h ARG 190 N 6.38 0.23 -6.13 1.70 2.43 -1.69 -1.31 114.38 115.99 3iaq h ARG 190 Ca -0.43 -0.12 -0.67 0.00 -0.81 0.00 0.00 59.98 57.95 3iaq h ARG 190 Cb 1.17 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.57 3iaq h ARG 190 CO 0.72 0.64 -0.65 -1.58 -1.51 0.00 0.00 179.97 177.59 3iaq s TRP 191 N -4.32 3.07 0.28 2.20 0.52 -1.26 -3.97 118.94 115.45 3iaq s TRP 191 Ca -0.15 0.09 -0.21 0.00 0.02 0.00 0.00 56.10 55.85 3iaq s TRP 191 Cb 0.04 -1.69 0.02 0.00 -1.15 0.00 0.00 33.47 30.69 3iaq s TRP 191 CO 0.72 0.45 0.71 -1.54 0.02 0.00 0.00 176.95 177.31 3iaq s SER 192 N -1.36 -0.26 0.56 2.95 1.04 -1.26 -4.91 113.70 110.46 3iaq s SER 192 Ca 0.18 -0.62 0.26 0.00 0.48 0.00 0.00 55.95 56.25 3iaq s SER 192 Cb -0.11 0.72 1.48 0.00 0.10 0.00 0.00 66.02 68.21 3iaq s SER 192 CO 0.08 -1.33 2.04 -2.24 0.98 0.00 0.00 173.24 172.76 3iaq h ASP 193 N 2.01 0.00 0.13 7.02 3.04 -0.81 0.30 116.42 128.12 3iaq h ASP 193 Ca -0.20 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.59 3iaq h ASP 193 Cb 1.25 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.54 3iaq h ASP 193 CO 0.24 0.00 -0.03 1.23 -2.04 0.00 0.00 179.24 178.64 3iaq h GLY 194 N 0.00 0.00 2.00 7.15 0.00 -1.92 -2.39 103.07 107.91 3iaq h GLY 194 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 3iaq h GLY 194 CO -0.00 0.00 -0.16 1.76 0.00 0.00 0.00 176.54 178.14 3iaq h SER 195 N 0.00 0.00 0.46 0.19 0.02 -0.76 -2.33 113.55 111.14 3iaq h SER 195 Ca -0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 3iaq h SER 195 Cb 0.10 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 3iaq h SER 195 CO 0.00 0.16 -0.21 1.88 -1.14 0.00 0.00 176.83 177.52 3iaq h TYR 196 N 0.00 0.00 -0.61 3.45 0.05 -1.55 -2.19 116.97 116.12 3iaq h TYR 196 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3iaq h TYR 196 Cb 0.29 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.03 3iaq h TYR 196 CO 0.00 0.21 0.00 1.28 -1.05 0.00 0.00 178.16 178.60 3iaq n LEU 197 N -3.75 3.96 -2.92 3.88 4.77 -0.88 -4.39 117.00 117.67 3iaq n LEU 197 Ca -0.01 -1.99 -0.18 0.00 -0.03 0.00 0.00 56.01 53.79 3iaq n LEU 197 Cb 0.32 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.90 3iaq n LEU 197 CO 0.33 0.79 -0.09 -0.62 -1.33 0.00 0.00 177.39 176.47 3iaq n GLU 198 N 1.16 1.67 -1.81 3.23 1.02 -0.82 -0.33 120.64 124.76 3iaq n GLU 198 Ca 0.22 -3.72 -0.35 0.00 -0.02 0.00 0.00 57.16 53.30 3iaq n GLU 198 Cb 0.70 -1.72 0.05 0.00 -0.02 0.00 0.00 31.44 30.44 3iaq n GLU 198 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3iaq n ASP 199 N 0.01 6.93 -4.76 1.62 2.03 0.14 -4.95 116.55 117.57 3iaq n ASP 199 Ca 0.23 -3.80 -0.41 0.00 0.52 0.00 0.00 54.79 51.33 3iaq n ASP 199 Cb 0.66 -0.88 -0.03 0.00 -0.72 0.00 0.00 41.12 40.15 3iaq n ASP 199 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 3iaq s GLN 200 N -3.87 4.43 -0.76 -0.67 1.11 -1.26 -4.46 119.66 114.18 3iaq s GLN 200 Ca 0.56 2.07 -0.26 0.00 0.01 0.00 0.00 55.36 57.74 3iaq s GLN 200 Cb 0.45 -3.14 -0.08 0.00 -1.01 0.00 0.00 33.01 29.24 3iaq s GLN 200 CO -0.20 -0.12 2.19 0.34 0.01 0.00 0.00 175.29 177.51 3iaq s ASP 201 N -0.32 4.55 0.02 5.90 2.15 -1.25 -4.79 116.67 122.94 3iaq s ASP 201 Ca 0.50 0.02 -0.29 0.00 0.43 0.00 0.00 52.55 53.21 3iaq s ASP 201 Cb -0.37 -2.54 0.10 0.00 -0.30 0.00 0.00 42.92 39.81 3iaq s ASP 201 CO 0.46 -3.17 1.14 0.00 -0.17 0.00 0.00 175.17 173.43 3iaq s MET 202 N 7.95 0.68 0.27 4.34 0.23 -1.24 -5.01 119.30 126.53 3iaq s MET 202 Ca 0.83 -0.36 -0.30 0.00 -1.03 0.00 0.00 55.69 54.82 3iaq s MET 202 Cb -0.11 0.24 -0.12 0.00 -1.53 0.00 0.00 34.83 33.30 3iaq s MET 202 CO 0.10 -0.31 1.49 0.91 -2.03 0.00 0.00 175.02 175.18 3iaq n TRP 203 N -0.43 2.51 -3.48 3.16 7.02 -1.26 -4.14 117.44 120.82 3iaq n TRP 203 Ca -0.07 0.35 -0.43 0.00 -1.02 0.00 0.00 57.50 56.34 3iaq n TRP 203 Cb 0.62 -2.52 -0.10 0.00 -2.42 0.00 0.00 31.31 26.88 3iaq n TRP 203 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3iaq s ARG 204 N -0.54 2.94 0.00 -0.99 1.81 0.29 -4.94 118.95 117.52 3iaq s ARG 204 Ca 0.65 -1.06 0.00 0.00 -1.72 0.00 0.00 55.73 53.60 3iaq s ARG 204 Cb -0.57 -3.95 0.00 0.00 -0.45 0.00 0.00 34.95 29.98 3iaq s ARG 204 CO 0.50 -0.77 0.00 -1.33 -0.68 0.00 0.00 175.30 173.02 3iaq n MET 205 N 5.14 2.22 -3.61 3.54 2.81 -1.26 -2.66 117.12 123.29 3iaq n MET 205 Ca -0.11 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.70 3iaq n MET 205 Cb 0.47 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.96 3iaq n MET 205 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3iaq s SER 206 N -0.41 -0.34 0.00 7.83 1.04 -1.26 -4.80 113.70 115.76 3iaq s SER 206 Ca 0.00 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.22 3iaq s SER 206 Cb 0.00 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.63 3iaq s SER 206 CO 0.00 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.95 3iaq n GLY 207 N -0.37 0.03 3.42 7.32 0.00 0.16 -2.45 105.19 113.29 3iaq n GLY 207 Ca -0.09 -2.28 -0.45 0.00 0.00 0.00 0.00 46.02 43.20 3iaq n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iaq s ILE 208 N 0.00 4.90 -2.10 -0.61 1.01 -1.21 -0.97 121.20 122.22 3iaq s ILE 208 Ca 0.00 -1.69 0.17 0.00 0.00 0.00 0.00 60.65 59.13 3iaq s ILE 208 Cb 0.00 -4.70 0.14 0.00 0.01 0.00 0.00 42.46 37.91 3iaq s ILE 208 CO 0.00 -1.39 1.04 2.22 0.00 0.00 0.00 174.94 176.81 3iaq n PHE 209 N 6.04 0.01 -4.52 3.97 -1.74 -0.67 -0.21 117.46 120.34 3iaq n PHE 209 Ca 0.19 -0.00 -0.25 0.00 -0.56 0.00 0.00 57.45 56.83 3iaq n PHE 209 Cb 0.48 -0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.39 3iaq n PHE 209 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 3iaq s ARG 210 N -1.40 1.86 0.56 3.97 0.52 -1.04 -4.32 118.95 119.10 3iaq s ARG 210 Ca 0.20 -2.10 -0.20 0.00 -0.52 0.00 0.00 55.73 53.10 3iaq s ARG 210 Cb 0.14 -0.83 -0.06 0.00 0.52 0.00 0.00 34.95 34.72 3iaq s ARG 210 CO 0.21 -0.35 0.99 -0.25 0.02 0.00 0.00 175.30 175.92 3iaq n ASP 211 N -1.06 0.97 -4.31 0.23 8.00 -1.26 -4.36 116.55 114.76 3iaq n ASP 211 Ca -0.06 0.87 -0.32 0.00 0.71 0.00 0.00 54.79 55.99 3iaq n ASP 211 Cb 0.66 -1.39 -0.16 0.00 -0.02 0.00 0.00 41.12 40.21 3iaq n ASP 211 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iaq s VAL 212 N -1.45 2.41 0.22 2.53 1.01 -1.26 -1.43 120.40 122.42 3iaq s VAL 212 Ca 0.72 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 61.64 3iaq s VAL 212 Cb -0.45 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.01 3iaq s VAL 212 CO 0.50 0.56 0.46 -0.94 0.00 0.00 0.00 175.10 175.68 3iaq s SER 213 N -0.00 -0.12 -0.08 3.32 1.04 -0.71 -0.31 113.70 116.84 3iaq s SER 213 Ca -0.07 -0.78 0.04 0.00 0.48 0.00 0.00 55.95 55.63 3iaq s SER 213 Cb -0.15 0.56 -0.00 0.00 0.10 0.00 0.00 66.02 66.53 3iaq s SER 213 CO 0.05 -1.08 -0.23 -0.76 0.98 0.00 0.00 173.24 172.20 3iaq s LEU 214 N -2.96 2.03 -0.15 2.42 1.43 -0.08 -0.49 118.68 120.88 3iaq s LEU 214 Ca 0.17 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.78 3iaq s LEU 214 Cb -0.00 -1.32 0.01 0.00 0.03 0.00 0.00 46.19 44.91 3iaq s LEU 214 CO 0.04 0.17 -0.20 -0.22 0.23 0.00 0.00 176.35 176.37 3iaq s LEU 215 N 0.21 2.05 -0.57 1.79 2.96 -0.18 -1.46 118.68 123.47 3iaq s LEU 215 Ca -0.13 -0.59 -0.13 0.00 -0.22 0.00 0.00 54.13 53.05 3iaq s LEU 215 Cb -0.16 -1.40 0.14 0.00 0.50 0.00 0.00 46.19 45.27 3iaq s LEU 215 CO 0.07 0.05 0.50 -2.28 -1.32 0.00 0.00 176.35 173.36 3iaq s HIS 216 N 0.99 3.38 0.31 5.38 5.65 -0.34 -0.96 115.29 129.71 3iaq s HIS 216 Ca -0.03 -1.60 -0.03 0.00 0.25 0.00 0.00 55.06 53.65 3iaq s HIS 216 Cb -0.15 -3.71 -0.04 0.00 -1.18 0.00 0.00 32.58 27.50 3iaq s HIS 216 CO -0.05 -1.00 0.54 0.15 -0.65 0.00 0.00 174.74 173.73 3iaq s LYS 217 N 1.25 3.57 0.86 2.88 -0.14 0.15 -4.87 119.74 123.43 3iaq s LYS 217 Ca 0.07 -0.14 -0.11 0.00 -1.36 0.00 0.00 55.97 54.42 3iaq s LYS 217 Cb -0.25 -2.66 0.11 0.00 -1.68 0.00 0.00 37.83 33.34 3iaq s LYS 217 CO -0.00 0.20 1.09 -2.14 -0.76 0.00 0.00 175.35 173.74 3iaq s PRO 218 N -3.82 1.53 0.16 -1.68 0.02 -1.26 0.05 135.00 130.00 3iaq s PRO 218 Ca 0.42 0.90 -0.05 0.00 0.02 0.00 0.00 61.00 62.29 3iaq s PRO 218 Cb -0.10 -1.83 0.02 0.00 0.02 0.00 0.00 34.50 32.60 3iaq s PRO 218 CO 0.32 -2.07 1.43 1.15 -0.33 0.00 0.00 177.00 177.50 3iaq h THR 219 N -1.43 1.33 -3.41 0.99 2.02 -1.92 -3.37 112.91 107.12 3iaq h THR 219 Ca -0.48 -1.96 -0.68 0.00 0.77 0.00 0.00 66.41 64.07 3iaq h THR 219 Cb 1.27 1.93 -0.17 0.00 -1.74 0.00 0.00 68.15 69.44 3iaq h THR 219 CO 0.54 0.61 0.03 -0.89 0.37 0.00 0.00 175.52 176.17 3iaq s THR 220 N -3.81 4.90 0.02 3.16 2.01 -1.26 -3.59 115.64 117.07 3iaq s THR 220 Ca -0.08 -0.28 -0.04 0.00 0.31 0.00 0.00 61.69 61.61 3iaq s THR 220 Cb 0.10 -4.22 -0.01 0.00 0.01 0.00 0.00 72.50 68.38 3iaq s THR 220 CO 0.86 -0.67 0.06 0.00 -0.69 0.00 0.00 174.62 174.17 3iaq s GLN 221 N 2.60 0.45 -0.18 4.92 -2.07 -0.25 -4.85 119.66 120.28 3iaq s GLN 221 Ca 0.17 -0.60 -0.29 0.00 -1.82 0.00 0.00 55.36 52.82 3iaq s GLN 221 Cb -0.17 0.17 -0.03 0.00 -1.09 0.00 0.00 33.01 31.89 3iaq s GLN 221 CO 0.14 -0.10 1.56 0.42 -1.32 0.00 0.00 175.29 176.00 3iaq s ILE 222 N -1.82 3.77 -0.04 3.63 1.01 -1.26 -1.02 121.20 125.47 3iaq s ILE 222 Ca -0.12 0.89 0.13 0.00 0.00 0.00 0.00 60.65 61.56 3iaq s ILE 222 Cb -0.06 -3.71 -0.20 0.00 0.01 0.00 0.00 42.46 38.50 3iaq s ILE 222 CO -0.01 -0.22 0.24 -1.54 0.00 0.00 0.00 174.94 173.41 3iaq n SER 223 N 7.85 1.85 -3.56 3.58 3.41 -0.07 -4.92 113.62 121.75 3iaq n SER 223 Ca 0.18 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.63 3iaq n SER 223 Cb 0.45 1.44 -0.06 0.00 -0.26 0.00 0.00 64.21 65.78 3iaq n SER 223 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3iaq s ASP 224 N -3.81 -0.64 -0.11 4.04 -1.08 -1.10 -4.86 116.67 109.12 3iaq s ASP 224 Ca -0.05 0.87 -0.16 0.00 -0.52 0.00 0.00 52.55 52.68 3iaq s ASP 224 Cb 0.08 0.75 0.04 0.00 -1.46 0.00 0.00 42.92 42.33 3iaq s ASP 224 CO 0.56 -0.47 0.42 0.72 0.52 0.00 0.00 175.17 176.91 3iaq s PHE 225 N -0.74 -0.40 -0.07 -5.34 -0.71 -1.26 -0.14 117.98 109.33 3iaq s PHE 225 Ca -0.07 0.88 0.04 0.00 -1.04 0.00 0.00 56.93 56.74 3iaq s PHE 225 Cb -0.01 0.16 0.00 0.00 -1.21 0.00 0.00 43.02 41.96 3iaq s PHE 225 CO 0.06 -0.31 -0.19 -1.01 -1.34 0.00 0.00 175.22 172.44 3iaq s HIS 226 N -0.36 1.96 -0.21 3.49 3.76 -0.34 -4.79 115.29 118.80 3iaq s HIS 226 Ca -0.05 -0.69 -0.04 0.00 -0.15 0.00 0.00 55.06 54.13 3iaq s HIS 226 Cb -0.03 -1.34 -0.02 0.00 1.11 0.00 0.00 32.58 32.30 3iaq s HIS 226 CO 0.03 -0.27 -0.02 0.08 -0.85 0.00 0.00 174.74 173.70 3iaq s VAL 227 N 0.27 3.69 0.01 -0.90 1.01 -1.26 -2.17 120.40 121.06 3iaq s VAL 227 Ca -0.11 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.54 3iaq s VAL 227 Cb -0.15 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 3iaq s VAL 227 CO 0.05 0.43 -0.21 0.00 0.00 0.00 0.00 175.10 175.36 3iaq s ALA 228 N 1.18 1.77 -0.16 5.51 0.00 -0.15 -4.82 121.76 125.09 3iaq s ALA 228 Ca 0.03 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.01 3iaq s ALA 228 Cb -0.14 -0.40 0.03 0.00 0.00 0.00 0.00 23.12 22.60 3iaq s ALA 228 CO 0.00 0.42 -0.13 0.95 0.00 0.00 0.00 175.76 177.00 3iaq s THR 229 N -0.64 1.55 0.20 0.00 -4.23 -1.26 -0.08 115.64 111.18 3iaq s THR 229 Ca 0.08 -0.70 0.11 0.00 -1.18 0.00 0.00 61.69 60.00 3iaq s THR 229 Cb -0.08 -1.50 -0.04 0.00 1.34 0.00 0.00 72.50 72.21 3iaq s THR 229 CO 0.00 0.38 -0.23 0.00 -0.54 0.00 0.00 174.62 174.24 3iaq s ARG 230 N 1.48 1.57 0.30 3.99 1.70 -0.99 -4.84 118.95 122.17 3iaq s ARG 230 Ca 0.03 -1.55 0.04 0.00 -0.47 0.00 0.00 55.73 53.79 3iaq s ARG 230 Cb -0.14 -1.85 -0.06 0.00 -0.57 0.00 0.00 34.95 32.33 3iaq s ARG 230 CO -0.10 0.39 0.03 -0.06 -1.08 0.00 0.00 175.30 174.48 3iaq s PHE 231 N -1.79 1.87 0.00 5.89 0.40 -1.26 -1.36 117.98 121.73 3iaq s PHE 231 Ca 0.22 -0.93 0.00 0.00 -0.60 0.00 0.00 56.93 55.63 3iaq s PHE 231 Cb -0.08 -1.17 0.00 0.00 0.51 0.00 0.00 43.02 42.28 3iaq s PHE 231 CO 0.11 0.02 0.00 0.27 0.70 0.00 0.00 175.22 176.32 3iaq n ASN 232 N -0.61 0.00 0.17 1.36 6.94 -0.96 -4.97 115.26 117.19 3iaq n ASN 232 Ca -0.03 -0.59 0.03 0.00 -0.02 0.00 0.00 54.58 53.97 3iaq n ASN 232 Cb 0.66 0.00 0.29 0.00 -2.36 0.00 0.00 39.78 38.37 3iaq n ASN 232 CO 0.00 0.00 0.00 -2.24 -1.03 0.00 0.00 177.26 173.99 3iaq h ASP 233 N 0.00 0.00 0.00 0.53 2.03 -2.02 -3.25 116.42 113.71 3iaq h ASP 233 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3iaq h ASP 233 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3iaq h ASP 233 CO 0.00 0.45 -0.01 -0.90 -1.03 0.00 0.00 179.24 177.75 3iaq n ASP 234 N -3.66 2.09 -0.90 4.15 5.68 -1.26 -5.00 116.55 117.66 3iaq n ASP 234 Ca -0.01 -2.50 -0.12 0.00 -0.50 0.00 0.00 54.79 51.67 3iaq n ASP 234 Cb 0.53 -0.21 -0.05 0.00 -1.14 0.00 0.00 41.12 40.25 3iaq n ASP 234 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3iaq n PHE 235 N -0.93 0.00 1.16 2.11 3.01 -1.23 -4.84 117.46 116.74 3iaq n PHE 235 Ca 0.08 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.68 3iaq n PHE 235 Cb 0.45 -2.62 0.60 0.00 -0.01 0.00 0.00 39.48 37.90 3iaq n PHE 235 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3iaq n SER 236 N -0.92 0.13 -3.86 4.37 3.41 -1.26 -4.42 113.62 111.07 3iaq n SER 236 Ca -0.12 0.10 -0.12 0.00 -0.26 0.00 0.00 58.87 58.48 3iaq n SER 236 Cb 0.54 -0.29 -0.12 0.00 -0.26 0.00 0.00 64.21 64.08 3iaq n SER 236 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3iaq s ARG 237 N -2.83 0.23 0.03 4.33 0.52 -1.26 0.47 118.95 120.43 3iaq s ARG 237 Ca 0.19 -0.07 -0.00 0.00 -0.52 0.00 0.00 55.73 55.33 3iaq s ARG 237 Cb 0.19 0.10 -0.02 0.00 0.52 0.00 0.00 34.95 35.74 3iaq s ARG 237 CO 0.53 -0.04 -0.03 0.00 0.02 0.00 0.00 175.30 175.78 3iaq s ALA 238 N -0.45 0.21 -0.25 2.13 0.00 0.21 -2.27 121.76 121.33 3iaq s ALA 238 Ca -0.05 -0.70 -0.03 0.00 0.00 0.00 0.00 51.96 51.17 3iaq s ALA 238 Cb -0.03 0.16 0.01 0.00 0.00 0.00 0.00 23.12 23.26 3iaq s ALA 238 CO 0.00 -0.19 -0.02 0.08 0.00 0.00 0.00 175.76 175.63 3iaq s VAL 239 N -1.85 3.27 -0.16 0.00 1.01 -0.46 -0.27 120.40 121.93 3iaq s VAL 239 Ca -0.12 -0.80 -0.22 0.00 0.00 0.00 0.00 61.98 60.85 3iaq s VAL 239 Cb -0.07 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 3iaq s VAL 239 CO -0.02 0.24 0.65 -0.22 0.00 0.00 0.00 175.10 175.75 3iaq s LEU 240 N 1.41 4.19 -0.21 3.92 0.20 0.34 -2.34 118.68 126.19 3iaq s LEU 240 Ca 0.02 0.94 0.01 0.00 0.69 0.00 0.00 54.13 55.79 3iaq s LEU 240 Cb -0.16 -2.95 0.03 0.00 -0.43 0.00 0.00 46.19 42.68 3iaq s LEU 240 CO -0.03 -0.24 -0.16 -0.70 -0.29 0.00 0.00 176.35 174.93 3iaq s GLU 241 N 1.64 2.77 -0.29 1.98 2.12 0.89 -0.62 118.70 127.20 3iaq s GLU 241 Ca 0.31 -0.98 0.02 0.00 0.36 0.00 0.00 54.97 54.68 3iaq s GLU 241 Cb -0.16 -2.69 0.07 0.00 0.26 0.00 0.00 34.13 31.60 3iaq s GLU 241 CO 0.12 -0.32 -0.05 0.00 -0.54 0.00 0.00 175.26 174.46 3iaq s ALA 242 N 1.24 2.69 -0.12 6.30 0.00 0.29 -0.98 121.76 131.18 3iaq s ALA 242 Ca 0.01 -1.92 -0.23 0.00 0.00 0.00 0.00 51.96 49.81 3iaq s ALA 242 Cb -0.15 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.19 3iaq s ALA 242 CO -0.10 -1.31 0.71 -2.00 0.00 0.00 0.00 175.76 173.06 3iaq s GLU 243 N 1.10 4.36 -0.08 0.00 2.12 -0.92 0.08 118.70 125.35 3iaq s GLU 243 Ca -0.04 0.85 0.05 0.00 0.36 0.00 0.00 54.97 56.19 3iaq s GLU 243 Cb -0.20 -3.50 -0.01 0.00 0.26 0.00 0.00 34.13 30.68 3iaq s GLU 243 CO -0.05 -0.09 -0.24 0.08 -0.54 0.00 0.00 175.26 174.42 3iaq s VAL 244 N 1.33 2.05 0.02 3.70 1.01 0.12 -1.20 120.40 127.42 3iaq s VAL 244 Ca 0.36 -1.04 0.06 0.00 0.00 0.00 0.00 61.98 61.36 3iaq s VAL 244 Cb -0.17 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 3iaq s VAL 244 CO 0.15 0.56 -0.16 -1.10 0.00 0.00 0.00 175.10 174.55 3iaq s GLN 245 N 0.09 2.23 0.20 2.72 -0.21 0.80 -1.65 119.66 123.85 3iaq s GLN 245 Ca -0.11 -0.89 0.09 0.00 0.02 0.00 0.00 55.36 54.47 3iaq s GLN 245 Cb -0.16 -2.27 -0.05 0.00 1.00 0.00 0.00 33.01 31.54 3iaq s GLN 245 CO 0.06 0.57 -0.16 0.00 -2.12 0.00 0.00 175.29 173.63 3iaq s MET 246 N -1.27 1.36 0.14 2.91 0.23 -0.58 -0.90 119.30 121.19 3iaq s MET 246 Ca 0.14 -1.55 0.09 0.00 -1.03 0.00 0.00 55.69 53.34 3iaq s MET 246 Cb -0.11 -1.28 -0.04 0.00 -1.53 0.00 0.00 34.83 31.88 3iaq s MET 246 CO 0.04 0.23 -0.21 0.00 -2.03 0.00 0.00 175.02 173.06 3iaq n GLY 248 N 0.65 -0.65 3.63 0.00 0.00 -1.24 -1.10 105.19 106.49 3iaq n GLY 248 Ca -0.16 -2.18 -0.43 0.00 0.00 0.00 0.00 46.02 43.25 3iaq n GLY 248 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3iaq s GLU 249 N 0.00 3.94 0.30 1.61 2.12 -1.26 -5.00 118.70 120.41 3iaq s GLU 249 Ca 0.00 1.12 -0.30 0.00 0.36 0.00 0.00 54.97 56.16 3iaq s GLU 249 Cb 0.00 -3.84 -0.11 0.00 0.26 0.00 0.00 34.13 30.44 3iaq s GLU 249 CO 0.00 -1.08 1.50 -0.51 -0.54 0.00 0.00 175.26 174.62 3iaq s LEU 250 N 4.17 4.36 0.04 2.70 1.43 -1.26 -4.98 118.68 125.14 3iaq s LEU 250 Ca 0.52 2.85 0.02 0.00 -1.03 0.00 0.00 54.13 56.49 3iaq s LEU 250 Cb -0.14 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.42 3iaq s LEU 250 CO 0.22 -0.80 -0.08 -0.13 0.23 0.00 0.00 176.35 175.79 3iaq s ARG 251 N -0.87 0.54 0.47 1.70 1.81 -1.26 -5.05 118.95 116.29 3iaq s ARG 251 Ca 0.59 -0.75 0.26 0.00 -1.72 0.00 0.00 55.73 54.11 3iaq s ARG 251 Cb -0.45 -0.31 1.09 0.00 -0.45 0.00 0.00 34.95 34.83 3iaq s ARG 251 CO 0.50 0.06 1.89 -0.44 -0.68 0.00 0.00 175.30 176.63 3iaq h ASP 252 N 4.53 0.00 0.61 0.23 3.32 -2.00 -2.70 116.42 120.41 3iaq h ASP 252 Ca -0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.69 3iaq h ASP 252 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3iaq h ASP 252 CO 0.41 0.17 -0.13 0.00 -1.72 0.00 0.00 179.24 177.96 3iaq n TYR 253 N -3.37 0.00 -2.43 4.55 0.18 -1.26 -4.88 117.16 109.95 3iaq n TYR 253 Ca -0.00 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.38 3iaq n TYR 253 Cb 0.38 -0.31 -0.04 0.00 -0.38 0.00 0.00 39.34 38.99 3iaq n TYR 253 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3iaq s LEU 254 N -2.75 4.53 0.09 -3.48 1.43 -1.02 -0.42 118.68 117.06 3iaq s LEU 254 Ca 0.21 2.31 -0.00 0.00 -1.03 0.00 0.00 54.13 55.61 3iaq s LEU 254 Cb 0.19 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 3iaq s LEU 254 CO 0.53 -0.20 -0.02 -0.13 0.23 0.00 0.00 176.35 176.76 3iaq s ARG 255 N -1.38 0.76 -0.08 1.70 1.81 0.24 -4.09 118.95 117.92 3iaq s ARG 255 Ca 0.46 -1.31 0.03 0.00 -1.72 0.00 0.00 55.73 53.19 3iaq s ARG 255 Cb -0.33 0.06 0.00 0.00 -0.45 0.00 0.00 34.95 34.24 3iaq s ARG 255 CO 0.42 -0.11 -0.19 0.08 -0.68 0.00 0.00 175.30 174.82 3iaq s VAL 256 N -3.84 1.66 -0.17 3.52 1.01 0.14 -2.00 120.40 120.73 3iaq s VAL 256 Ca 0.12 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.32 3iaq s VAL 256 Cb 0.07 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 35.00 3iaq s VAL 256 CO -0.06 0.47 -0.18 -0.89 0.00 0.00 0.00 175.10 174.44 3iaq s THR 257 N 0.40 2.31 -0.31 3.92 2.01 -0.70 -1.54 115.64 121.74 3iaq s THR 257 Ca -0.15 -0.88 -0.07 0.00 0.31 0.00 0.00 61.69 60.90 3iaq s THR 257 Cb -0.16 -1.97 0.02 0.00 0.01 0.00 0.00 72.50 70.40 3iaq s THR 257 CO 0.06 0.53 0.09 -0.69 -0.69 0.00 0.00 174.62 173.92 3iaq s VAL 258 N 1.05 3.94 -0.04 3.82 1.01 -0.41 -0.65 120.40 129.12 3iaq s VAL 258 Ca -0.01 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.16 3iaq s VAL 258 Cb -0.14 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 3iaq s VAL 258 CO -0.06 -0.01 -0.07 -0.55 0.00 0.00 0.00 175.10 174.42 3iaq s SER 259 N 1.47 4.66 -0.14 3.32 0.15 -0.79 -1.66 113.70 120.72 3iaq s SER 259 Ca 0.01 -0.07 -0.01 0.00 0.70 0.00 0.00 55.95 56.59 3iaq s SER 259 Cb -0.18 -1.14 -0.02 0.00 -1.71 0.00 0.00 66.02 62.97 3iaq s SER 259 CO 0.03 0.33 -0.11 -0.22 1.20 0.00 0.00 173.24 174.47 3iaq s LEU 260 N -1.06 2.80 -0.07 3.45 2.96 0.24 -1.33 118.68 125.67 3iaq s LEU 260 Ca 0.14 -0.30 0.05 0.00 -0.22 0.00 0.00 54.13 53.80 3iaq s LEU 260 Cb -0.11 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.93 3iaq s LEU 260 CO 0.04 0.15 -0.23 0.26 -1.32 0.00 0.00 176.35 175.25 3iaq s TRP 261 N 0.43 2.31 -0.61 5.38 0.52 0.80 -0.79 118.94 126.98 3iaq s TRP 261 Ca -0.09 -0.76 -0.00 0.00 0.02 0.00 0.00 56.10 55.27 3iaq s TRP 261 Cb -0.16 -1.53 0.16 0.00 -1.15 0.00 0.00 33.47 30.79 3iaq s TRP 261 CO 0.05 -0.26 0.41 -1.14 0.02 0.00 0.00 176.95 176.02 3iaq s GLN 262 N 0.02 2.43 7.62 4.98 0.74 0.11 -1.28 119.66 134.28 3iaq s GLN 262 Ca -0.08 -2.64 0.00 0.00 0.05 0.00 0.00 55.36 52.69 3iaq s GLN 262 Cb -0.14 -3.61 0.00 0.00 1.10 0.00 0.00 33.01 30.35 3iaq s GLN 262 CO 0.05 -1.16 0.00 0.41 -0.55 0.00 0.00 175.29 174.03 3iaq n GLY 263 N 3.23 3.00 1.14 2.59 0.00 -1.26 -2.30 105.19 111.60 3iaq n GLY 263 Ca 0.08 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.98 3iaq n GLY 263 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iaq n GLU 264 N 13.31 2.71 -3.98 1.61 1.02 -1.26 -4.84 120.64 129.21 3iaq n GLU 264 Ca 0.00 -2.02 -0.35 0.00 -0.02 0.00 0.00 57.16 54.76 3iaq n GLU 264 Cb 0.00 -1.61 -0.13 0.00 -0.02 0.00 0.00 31.44 29.69 3iaq n GLU 264 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3iaq s THR 265 N -1.58 3.99 -0.26 2.62 2.01 -0.97 -5.08 115.64 116.36 3iaq s THR 265 Ca 0.37 -0.29 -0.27 0.00 0.31 0.00 0.00 61.69 61.80 3iaq s THR 265 Cb 0.22 -2.82 0.01 0.00 0.01 0.00 0.00 72.50 69.92 3iaq s THR 265 CO 0.20 0.41 0.97 -1.58 -0.69 0.00 0.00 174.62 173.94 3iaq s GLN 266 N 1.17 4.16 -0.08 4.92 0.74 -1.26 0.05 119.66 129.36 3iaq s GLN 266 Ca 0.03 1.10 0.18 0.00 0.05 0.00 0.00 55.36 56.73 3iaq s GLN 266 Cb -0.14 -3.68 -0.24 0.00 1.10 0.00 0.00 33.01 30.05 3iaq s GLN 266 CO 0.02 -0.68 0.41 1.33 -0.55 0.00 0.00 175.29 175.82 3iaq n VAL 267 N 5.47 1.00 -3.62 1.34 0.24 0.03 -4.96 118.33 117.84 3iaq n VAL 267 Ca 0.10 -0.72 -0.14 0.00 -2.04 0.00 0.00 64.34 61.54 3iaq n VAL 267 Cb 0.47 -0.45 -0.07 0.00 -1.47 0.00 0.00 33.84 32.32 3iaq n VAL 267 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3iaq s ALA 268 N -2.88 -1.80 -0.02 2.33 0.00 -1.20 -4.99 121.76 113.20 3iaq s ALA 268 Ca -0.07 1.91 -0.07 0.00 0.00 0.00 0.00 51.96 53.73 3iaq s ALA 268 Cb 0.09 -1.04 0.01 0.00 0.00 0.00 0.00 23.12 22.17 3iaq s ALA 268 CO 0.84 -0.33 0.15 0.45 0.00 0.00 0.00 175.76 176.88 3iaq s SER 269 N 0.13 -0.06 -0.05 0.00 0.15 -1.26 0.81 113.70 113.42 3iaq s SER 269 Ca -0.01 0.02 -0.02 0.00 0.70 0.00 0.00 55.95 56.63 3iaq s SER 269 Cb -0.04 0.27 0.03 0.00 -1.71 0.00 0.00 66.02 64.56 3iaq s SER 269 CO 0.01 -0.25 0.11 -0.83 1.20 0.00 0.00 173.24 173.48 3iaq s GLY 270 N -0.80 -0.01 -0.02 9.45 0.00 -0.66 -4.99 107.32 110.29 3iaq s GLY 270 Ca -0.09 0.49 0.06 0.00 0.00 0.00 0.00 44.72 45.19 3iaq s GLY 270 CO 0.01 0.74 -0.21 -1.59 0.00 0.00 0.00 173.10 172.05 3iaq s THR 271 N 0.87 1.63 -0.04 0.90 2.01 -1.26 -1.29 115.64 118.46 3iaq s THR 271 Ca -0.07 -0.88 -0.27 0.00 0.31 0.00 0.00 61.69 60.79 3iaq s THR 271 Cb -0.09 -1.36 0.06 0.00 0.01 0.00 0.00 72.50 71.12 3iaq s THR 271 CO -0.04 0.46 0.59 0.00 -0.69 0.00 0.00 174.62 174.94 3iaq s ALA 272 N -0.43 -1.52 0.97 7.40 0.00 -0.59 -4.99 121.76 122.60 3iaq s ALA 272 Ca 0.07 1.05 -0.14 0.00 0.00 0.00 0.00 51.96 52.94 3iaq s ALA 272 Cb -0.08 0.04 0.17 0.00 0.00 0.00 0.00 23.12 23.25 3iaq s ALA 272 CO -0.00 -0.35 1.16 -1.25 0.00 0.00 0.00 175.76 175.31 3iaq s PRO 273 N -1.29 0.67 0.54 0.00 0.04 -1.26 -0.69 135.00 133.02 3iaq s PRO 273 Ca -0.11 0.15 -0.16 0.00 0.04 0.00 0.00 61.00 60.91 3iaq s PRO 273 Cb -0.01 -1.80 -0.06 0.00 0.04 0.00 0.00 34.50 32.67 3iaq s PRO 273 CO 0.08 -2.49 1.01 -0.06 0.04 0.00 0.00 177.00 175.59 3iaq s PHE 274 N -3.31 3.27 0.00 0.56 0.08 -1.26 -4.82 117.98 112.51 3iaq s PHE 274 Ca 0.66 1.49 0.00 0.00 0.12 0.00 0.00 56.93 59.20 3iaq s PHE 274 Cb -0.13 -2.88 0.00 0.00 -0.57 0.00 0.00 43.02 39.45 3iaq s PHE 274 CO 0.54 -0.64 0.00 0.41 -0.10 0.00 0.00 175.22 175.43 3iaq n GLY 275 N -1.32 1.91 2.50 4.36 0.00 0.49 -4.97 105.19 108.16 3iaq n GLY 275 Ca 0.07 -0.73 -0.19 0.00 0.00 0.00 0.00 46.02 45.17 3iaq n GLY 275 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iaq n GLY 276 N 0.22 -1.47 3.73 -0.02 0.00 -0.41 -4.86 105.19 102.37 3iaq n GLY 276 Ca 0.00 -1.68 -0.31 0.00 0.00 0.00 0.00 46.02 44.03 3iaq n GLY 276 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3iaq s GLU 277 N -4.88 1.82 0.17 1.61 -1.05 -1.26 -4.58 118.70 110.54 3iaq s GLU 277 Ca 0.49 1.35 -0.32 0.00 -0.15 0.00 0.00 54.97 56.34 3iaq s GLU 277 Cb -0.02 -1.83 -0.11 0.00 -0.44 0.00 0.00 34.13 31.73 3iaq s GLU 277 CO 0.35 -2.00 1.64 0.42 0.95 0.00 0.00 175.26 176.61 3iaq s ILE 278 N -2.74 2.43 -0.24 1.83 1.01 -1.26 -4.22 121.20 118.02 3iaq s ILE 278 Ca 0.64 0.28 -0.09 0.00 0.00 0.00 0.00 60.65 61.49 3iaq s ILE 278 Cb -0.20 -3.18 -0.12 0.00 0.01 0.00 0.00 42.46 38.97 3iaq s ILE 278 CO 0.55 0.02 -0.29 -0.38 0.00 0.00 0.00 174.94 174.85 3iaq n ILE 279 N 4.05 1.33 -3.24 2.92 2.08 0.14 -4.89 119.36 121.74 3iaq n ILE 279 Ca 0.15 -0.38 0.00 0.00 0.56 0.00 0.00 62.75 63.08 3iaq n ILE 279 Cb 0.37 -1.70 0.00 0.00 -0.75 0.00 0.00 39.64 37.56 3iaq n ILE 279 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 3iaq n ASP 280 N -3.86 0.00 0.00 4.38 5.68 -1.06 -5.02 116.55 116.67 3iaq n ASP 280 Ca -0.46 -0.36 0.05 0.00 -0.50 0.00 0.00 54.79 53.52 3iaq n ASP 280 Cb 0.86 0.00 0.23 0.00 -1.14 0.00 0.00 41.12 41.07 3iaq n ASP 280 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3iaq n GLU 281 N 0.00 0.04 -0.30 0.11 4.71 -1.26 -2.36 120.64 121.58 3iaq n GLU 281 Ca 0.00 0.28 0.08 0.00 -0.01 0.00 0.00 57.16 57.52 3iaq n GLU 281 Cb 0.00 -1.50 0.24 0.00 -1.01 0.00 0.00 31.44 29.17 3iaq n GLU 281 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3iaq n ARG 282 N -1.44 2.90 0.00 3.49 5.12 -1.26 -5.09 116.66 120.38 3iaq n ARG 282 Ca 0.03 -2.40 0.00 0.00 -1.93 0.00 0.00 57.85 53.56 3iaq n ARG 282 Cb 0.11 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 29.95 3iaq n ARG 282 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3iaq n GLY 283 N 0.95 -0.01 0.00 -0.13 0.00 -1.00 -5.04 105.19 99.97 3iaq n GLY 283 Ca 0.18 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.37 3iaq n GLY 283 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iaq n GLY 284 N 0.00 4.50 3.55 -0.02 0.00 -1.26 -0.69 105.19 111.27 3iaq n GLY 284 Ca 0.00 -2.12 -0.43 0.00 0.00 0.00 0.00 46.02 43.47 3iaq n GLY 284 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iaq s TYR 285 N -0.95 2.93 0.16 1.61 2.02 -1.26 -4.90 117.35 116.96 3iaq s TYR 285 Ca 0.00 0.25 0.27 0.00 -0.37 0.00 0.00 57.07 57.22 3iaq s TYR 285 Cb 0.00 -3.87 1.10 0.00 -0.40 0.00 0.00 41.96 38.79 3iaq s TYR 285 CO 0.00 -1.09 1.90 0.00 -1.57 0.00 0.00 175.55 174.78 3iaq h ALA 286 N 9.07 1.04 -0.49 3.71 0.00 -1.94 -1.06 119.26 129.60 3iaq h ALA 286 Ca -0.25 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3iaq h ALA 286 Cb 1.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3iaq h ALA 286 CO 1.01 0.19 0.00 -0.40 0.00 0.00 0.00 179.25 180.05 3iaq n ASP 287 N -3.34 4.22 -4.13 0.00 5.75 -1.26 -2.84 116.55 114.94 3iaq n ASP 287 Ca 0.00 -2.50 -0.09 0.00 -0.01 0.00 0.00 54.79 52.19 3iaq n ASP 287 Cb 0.38 -0.57 -0.10 0.00 -1.03 0.00 0.00 41.12 39.80 3iaq n ASP 287 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3iaq s ARG 288 N -2.02 0.77 -0.16 0.11 0.52 -1.16 -1.53 118.95 115.48 3iaq s ARG 288 Ca 0.42 -1.32 -0.22 0.00 -0.52 0.00 0.00 55.73 54.09 3iaq s ARG 288 Cb 0.29 0.12 0.05 0.00 0.52 0.00 0.00 34.95 35.93 3iaq s ARG 288 CO 0.17 -0.14 0.57 0.54 0.02 0.00 0.00 175.30 176.46 3iaq s VAL 289 N -3.89 0.01 -0.15 3.52 0.11 -0.66 -0.38 120.40 118.96 3iaq s VAL 289 Ca 0.14 -0.06 -0.01 0.00 -2.93 0.00 0.00 61.98 59.12 3iaq s VAL 289 Cb 0.07 -0.82 -0.01 0.00 -1.53 0.00 0.00 36.38 34.09 3iaq s VAL 289 CO -0.05 -0.03 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.68 3iaq s THR 290 N -0.20 3.00 -0.16 5.04 2.01 -1.26 0.13 115.64 124.20 3iaq s THR 290 Ca -0.04 -0.66 -0.05 0.00 0.31 0.00 0.00 61.69 61.24 3iaq s THR 290 Cb -0.03 -2.28 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 3iaq s THR 290 CO 0.03 0.50 0.03 -0.76 -0.69 0.00 0.00 174.62 173.74 3iaq s LEU 291 N 0.69 3.66 -0.24 4.42 2.01 0.11 -4.93 118.68 124.40 3iaq s LEU 291 Ca -0.06 0.06 -0.00 0.00 0.01 0.00 0.00 54.13 54.14 3iaq s LEU 291 Cb -0.15 -1.90 0.03 0.00 0.01 0.00 0.00 46.19 44.18 3iaq s LEU 291 CO 0.02 0.22 -0.10 -0.13 1.01 0.00 0.00 176.35 177.38 3iaq s ARG 292 N 0.07 2.71 -0.16 1.70 0.52 -1.26 -0.55 118.95 121.98 3iaq s ARG 292 Ca 0.04 -1.05 -0.03 0.00 -0.52 0.00 0.00 55.73 54.17 3iaq s ARG 292 Cb -0.13 -2.89 -0.02 0.00 0.52 0.00 0.00 34.95 32.43 3iaq s ARG 292 CO 0.01 -0.41 -0.05 -0.51 0.02 0.00 0.00 175.30 174.36 3iaq s LEU 293 N 1.26 3.10 0.07 2.53 1.43 0.21 -4.93 118.68 122.35 3iaq s LEU 293 Ca -0.01 -0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 52.58 3iaq s LEU 293 Cb -0.17 -1.75 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 3iaq s LEU 293 CO -0.06 0.13 0.97 0.20 0.23 0.00 0.00 176.35 177.82 3iaq s ASN 294 N 0.57 7.45 -0.16 2.29 0.01 -1.26 -0.50 114.94 123.33 3iaq s ASN 294 Ca -0.04 1.74 -0.01 0.00 -0.71 0.00 0.00 52.86 53.85 3iaq s ASN 294 Cb -0.15 -2.58 0.04 0.00 0.41 0.00 0.00 41.25 38.97 3iaq s ASN 294 CO 0.03 -0.14 -0.05 -0.69 -1.51 0.00 0.00 177.10 174.73 3iaq s VAL 295 N 0.39 1.10 0.10 1.60 1.01 0.62 -4.82 120.40 120.40 3iaq s VAL 295 Ca 0.49 -0.60 -0.25 0.00 0.00 0.00 0.00 61.98 61.62 3iaq s VAL 295 Cb -0.22 -1.27 -0.07 0.00 0.00 0.00 0.00 36.38 34.83 3iaq s VAL 295 CO 0.29 0.14 0.76 -1.61 0.00 0.00 0.00 175.10 174.68 3iaq s GLU 296 N 1.64 4.51 -1.19 2.72 0.41 -1.26 -0.62 118.70 124.91 3iaq s GLU 296 Ca 0.01 1.09 -0.32 0.00 -0.41 0.00 0.00 54.97 55.34 3iaq s GLU 296 Cb -0.15 -3.31 0.04 0.00 -1.78 0.00 0.00 34.13 28.92 3iaq s GLU 296 CO -0.08 0.42 0.71 0.09 -0.49 0.00 0.00 175.26 175.91 3iaq n ASN 297 N 2.25 -4.41 -4.76 -0.19 3.02 0.18 -4.86 115.26 106.48 3iaq n ASN 297 Ca -0.04 -1.24 -0.41 0.00 -0.03 0.00 0.00 54.58 52.86 3iaq n ASN 297 Cb 0.50 -2.00 -0.02 0.00 -0.61 0.00 0.00 39.78 37.65 3iaq n ASN 297 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3iaq s PRO 298 N -7.10 4.29 -0.03 3.52 0.04 -1.26 -4.95 135.00 129.52 3iaq s PRO 298 Ca 0.48 2.29 -0.30 0.00 0.04 0.00 0.00 61.00 63.52 3iaq s PRO 298 Cb -0.25 -3.07 -0.06 0.00 0.04 0.00 0.00 34.50 31.17 3iaq s PRO 298 CO 0.95 -0.31 1.61 0.15 0.04 0.00 0.00 177.00 179.45 3iaq s LYS 299 N -1.42 4.20 0.28 4.56 1.02 -1.26 -4.98 119.74 122.14 3iaq s LYS 299 Ca 0.53 2.18 -0.12 0.00 0.02 0.00 0.00 55.97 58.58 3iaq s LYS 299 Cb -0.41 -3.86 -0.08 0.00 -0.52 0.00 0.00 37.83 32.96 3iaq s LYS 299 CO 0.52 -0.79 0.64 -0.51 -0.92 0.00 0.00 175.35 174.29 3iaq s LEU 300 N 3.55 4.10 -0.07 3.17 1.43 -1.26 -4.33 118.68 125.28 3iaq s LEU 300 Ca 0.72 1.08 -0.10 0.00 -1.03 0.00 0.00 54.13 54.80 3iaq s LEU 300 Cb -0.34 -3.87 -0.05 0.00 0.03 0.00 0.00 46.19 41.96 3iaq s LEU 300 CO 0.29 -0.15 0.26 0.86 0.23 0.00 0.00 176.35 177.84 3iaq s TRP 301 N -1.92 3.66 0.26 0.29 -0.00 -0.55 -3.85 118.94 116.83 3iaq s TRP 301 Ca 0.50 0.74 -0.21 0.00 -0.00 0.00 0.00 56.10 57.13 3iaq s TRP 301 Cb -0.11 -2.10 0.03 0.00 -0.00 0.00 0.00 33.47 31.29 3iaq s TRP 301 CO 0.20 0.70 0.76 -1.54 -0.00 0.00 0.00 176.95 177.07 3iaq s SER 302 N -1.05 -0.24 0.26 5.86 1.04 -0.67 -4.66 113.70 114.24 3iaq s SER 302 Ca 0.19 -0.59 -0.04 0.00 0.48 0.00 0.00 55.95 55.99 3iaq s SER 302 Cb -0.14 0.70 0.31 0.00 0.10 0.00 0.00 66.02 66.99 3iaq s SER 302 CO 0.08 -1.29 1.83 0.00 0.98 0.00 0.00 173.24 174.84 3iaq h ALA 303 N 2.00 1.18 -0.22 5.32 0.00 -1.90 -2.19 119.26 123.46 3iaq h ALA 303 Ca -0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3iaq h ALA 303 Cb 1.25 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3iaq h ALA 303 CO 0.24 0.59 0.08 0.93 0.00 0.00 0.00 179.25 181.10 3iaq h GLU 304 N 1.01 0.33 -3.06 0.00 5.08 -1.93 -3.40 114.58 112.61 3iaq h GLU 304 Ca 0.24 -0.06 -0.58 0.00 -1.00 0.00 0.00 59.36 57.95 3iaq h GLU 304 Cb 0.19 -0.05 -0.40 0.00 0.50 0.00 0.00 28.75 28.99 3iaq h GLU 304 CO -0.02 0.39 -0.78 0.42 -1.00 0.00 0.00 179.01 178.02 3iaq s ILE 305 N -5.52 0.69 -1.54 3.13 1.01 -1.16 -4.99 121.20 112.83 3iaq s ILE 305 Ca -0.14 -1.67 -0.11 0.00 0.00 0.00 0.00 60.65 58.73 3iaq s ILE 305 Cb 0.08 -1.51 -0.02 0.00 0.01 0.00 0.00 42.46 41.02 3iaq s ILE 305 CO 0.71 -0.82 2.61 -0.81 0.00 0.00 0.00 174.94 176.64 3iaq n PRO 306 N 4.39 3.40 -1.68 2.79 -0.04 -0.83 -1.66 135.00 141.36 3iaq n PRO 306 Ca 0.03 -2.46 -0.45 0.00 -0.04 0.00 0.00 63.50 60.58 3iaq n PRO 306 Cb 0.39 -3.00 -0.04 0.00 -0.04 0.00 0.00 33.50 30.81 3iaq n PRO 306 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3iaq n ASN 307 N 4.53 3.72 -4.23 3.54 3.02 -1.25 -4.88 115.26 119.70 3iaq n ASN 307 Ca 0.66 0.97 -0.29 0.00 -0.03 0.00 0.00 54.58 55.89 3iaq n ASN 307 Cb 0.30 -1.45 -0.16 0.00 -0.61 0.00 0.00 39.78 37.86 3iaq n ASN 307 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3iaq s LEU 308 N 3.58 2.02 0.35 3.41 1.43 -1.26 -4.32 118.68 123.89 3iaq s LEU 308 Ca 0.88 -0.43 0.08 0.00 -1.03 0.00 0.00 54.13 53.63 3iaq s LEU 308 Cb -0.58 -1.19 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 3iaq s LEU 308 CO 0.45 0.24 0.24 -0.31 0.23 0.00 0.00 176.35 177.20 3iaq s TYR 309 N -0.30 2.79 -0.17 0.29 1.51 0.18 -4.78 117.35 116.87 3iaq s TYR 309 Ca 0.02 -0.37 0.00 0.00 -1.01 0.00 0.00 57.07 55.71 3iaq s TYR 309 Cb -0.11 -1.80 0.01 0.00 -0.11 0.00 0.00 41.96 39.95 3iaq s TYR 309 CO 0.01 0.20 -0.17 0.50 -1.11 0.00 0.00 175.55 174.98 3iaq s ARG 310 N -3.95 3.10 -0.17 -0.62 6.06 -0.40 0.23 118.95 123.20 3iaq s ARG 310 Ca 0.41 -0.79 -0.08 0.00 -2.50 0.00 0.00 55.73 52.77 3iaq s ARG 310 Cb -0.04 -2.62 -0.04 0.00 0.06 0.00 0.00 34.95 32.31 3iaq s ARG 310 CO 0.25 -0.13 0.09 0.00 -2.50 0.00 0.00 175.30 173.01 3iaq s ALA 311 N 1.13 3.55 -0.17 6.12 0.00 -0.88 -0.14 121.76 131.37 3iaq s ALA 311 Ca 0.01 -0.72 -0.00 0.00 0.00 0.00 0.00 51.96 51.25 3iaq s ALA 311 Cb -0.14 -1.96 0.00 0.00 0.00 0.00 0.00 23.12 21.02 3iaq s ALA 311 CO -0.07 0.28 -0.14 0.08 0.00 0.00 0.00 175.76 175.91 3iaq s VAL 312 N 0.05 2.70 -0.36 0.00 1.01 -0.44 -2.23 120.40 121.13 3iaq s VAL 312 Ca 0.07 -0.74 -0.14 0.00 0.00 0.00 0.00 61.98 61.16 3iaq s VAL 312 Cb -0.12 -2.16 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 3iaq s VAL 312 CO 0.00 0.50 0.31 -0.69 0.00 0.00 0.00 175.10 175.22 3iaq s VAL 313 N 1.01 5.23 -0.24 2.92 1.01 0.13 -1.88 120.40 128.57 3iaq s VAL 313 Ca -0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 61.98 61.73 3iaq s VAL 313 Cb -0.15 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 3iaq s VAL 313 CO -0.03 -0.11 -0.00 -1.61 0.00 0.00 0.00 175.10 173.35 3iaq s GLU 314 N 1.85 3.35 -0.45 2.72 2.02 0.17 -0.32 118.70 128.04 3iaq s GLU 314 Ca 0.08 -0.66 -0.21 0.00 0.02 0.00 0.00 54.97 54.20 3iaq s GLU 314 Cb -0.17 -3.13 0.03 0.00 0.10 0.00 0.00 34.13 30.95 3iaq s GLU 314 CO 0.11 -0.25 0.69 -1.17 0.02 0.00 0.00 175.26 174.66 3iaq s LEU 315 N 1.50 4.46 0.00 1.80 2.96 0.41 -1.71 118.68 128.10 3iaq s LEU 315 Ca 0.05 -0.33 0.06 0.00 -0.22 0.00 0.00 54.13 53.69 3iaq s LEU 315 Cb -0.15 -2.77 -0.02 0.00 0.50 0.00 0.00 46.19 43.75 3iaq s LEU 315 CO -0.01 -0.84 0.21 0.00 -1.32 0.00 0.00 176.35 174.39 3iaq n HIS 316 N 6.42 -0.55 -4.13 5.38 1.44 -0.85 -0.39 115.22 122.55 3iaq n HIS 316 Ca -0.01 -2.19 -0.25 0.00 -2.01 0.00 0.00 57.72 53.26 3iaq n HIS 316 Cb 0.48 0.20 -0.06 0.00 0.12 0.00 0.00 29.99 30.73 3iaq n HIS 316 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 3iaq s THR 317 N -3.03 4.26 0.51 0.61 -4.23 0.49 -0.60 115.64 113.65 3iaq s THR 317 Ca 0.30 -1.27 0.20 0.00 -1.18 0.00 0.00 61.69 59.73 3iaq s THR 317 Cb 0.01 -3.20 0.27 0.00 1.34 0.00 0.00 72.50 70.92 3iaq s THR 317 CO 0.21 -0.18 2.13 0.00 -0.54 0.00 0.00 174.62 176.24 3iaq h ALA 318 N 2.23 1.75 0.00 3.99 0.00 -1.06 0.48 119.26 126.65 3iaq h ALA 318 Ca -0.47 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3iaq h ALA 318 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3iaq h ALA 318 CO 0.61 0.07 -0.02 -0.40 0.00 0.00 0.00 179.25 179.51 3iaq n ASP 319 N -4.24 0.51 0.00 0.00 3.85 -1.26 -4.93 116.55 110.47 3iaq n ASP 319 Ca -0.03 0.53 0.00 0.00 -0.71 0.00 0.00 54.79 54.58 3iaq n ASP 319 Cb 0.14 -0.65 0.00 0.00 -1.35 0.00 0.00 41.12 39.26 3iaq n ASP 319 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3iaq n GLY 320 N 1.38 1.70 3.56 6.12 0.00 0.16 -5.09 105.19 113.01 3iaq n GLY 320 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3iaq n GLY 320 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iaq s THR 321 N -2.00 5.10 0.05 2.61 2.01 -1.24 -4.87 115.64 117.31 3iaq s THR 321 Ca 0.00 0.22 -0.31 0.00 0.31 0.00 0.00 61.69 61.92 3iaq s THR 321 Cb 0.00 -3.87 -0.06 0.00 0.01 0.00 0.00 72.50 68.58 3iaq s THR 321 CO 0.00 -0.12 1.29 -0.22 -0.69 0.00 0.00 174.62 174.88 3iaq s LEU 322 N 2.18 4.35 -0.21 4.42 2.96 -1.26 -0.38 118.68 130.75 3iaq s LEU 322 Ca 0.15 2.11 -0.18 0.00 -0.22 0.00 0.00 54.13 55.99 3iaq s LEU 322 Cb -0.16 -3.58 -0.15 0.00 0.50 0.00 0.00 46.19 42.81 3iaq s LEU 322 CO 0.12 -0.58 0.04 -0.38 -1.32 0.00 0.00 176.35 174.23 3iaq n ILE 323 N 4.13 1.51 -3.56 6.68 5.41 0.47 -4.96 119.36 129.05 3iaq n ILE 323 Ca 0.11 -0.03 -0.09 0.00 1.00 0.00 0.00 62.75 63.74 3iaq n ILE 323 Cb 0.45 -2.09 -0.02 0.00 -0.71 0.00 0.00 39.64 37.27 3iaq n ILE 323 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 3iaq s GLU 324 N -2.38 1.24 -0.01 0.38 -1.05 -0.76 -4.91 118.70 111.22 3iaq s GLU 324 Ca -0.28 -0.54 0.02 0.00 -0.15 0.00 0.00 54.97 54.02 3iaq s GLU 324 Cb 0.06 0.52 -0.00 0.00 -0.44 0.00 0.00 34.13 34.27 3iaq s GLU 324 CO 0.51 -0.55 -0.08 0.00 0.95 0.00 0.00 175.26 176.09 3iaq s ALA 325 N -3.56 0.68 0.42 -0.84 0.00 -0.09 -0.44 121.76 117.92 3iaq s ALA 325 Ca 0.05 -0.31 0.07 0.00 0.00 0.00 0.00 51.96 51.78 3iaq s ALA 325 Cb -0.02 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 3iaq s ALA 325 CO -0.07 0.14 0.15 -1.21 0.00 0.00 0.00 175.76 174.78 3iaq s GLU 326 N -0.02 2.18 0.02 0.00 0.41 0.56 -2.16 118.70 119.70 3iaq s GLU 326 Ca 0.01 -1.92 -0.27 0.00 -0.41 0.00 0.00 54.97 52.37 3iaq s GLU 326 Cb -0.05 -1.91 0.09 0.00 -1.78 0.00 0.00 34.13 30.49 3iaq s GLU 326 CO -0.00 -0.13 0.81 0.00 -0.49 0.00 0.00 175.26 175.44 3iaq s ALA 327 N -2.64 -1.77 0.17 5.21 0.00 -1.26 0.20 121.76 121.67 3iaq s ALA 327 Ca 0.38 0.94 -0.14 0.00 0.00 0.00 0.00 51.96 53.15 3iaq s ALA 327 Cb 0.05 0.42 0.02 0.00 0.00 0.00 0.00 23.12 23.60 3iaq s ALA 327 CO 0.21 -0.66 0.41 0.00 0.00 0.00 0.00 175.76 175.72 3iaq s ASP 329 N -2.89 7.60 -0.09 0.00 1.01 -1.26 -2.07 116.67 118.96 3iaq s ASP 329 Ca 0.11 1.89 0.04 0.00 0.71 0.00 0.00 52.55 55.30 3iaq s ASP 329 Cb 0.01 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.34 3iaq s ASP 329 CO -0.04 0.10 -0.23 -0.69 0.21 0.00 0.00 175.17 174.53 3iaq s VAL 330 N -0.86 2.21 -0.25 -1.27 1.01 0.14 -4.68 120.40 116.70 3iaq s VAL 330 Ca 0.42 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.45 3iaq s VAL 330 Cb -0.25 -1.84 0.05 0.00 0.00 0.00 0.00 36.38 34.34 3iaq s VAL 330 CO 0.31 0.56 -0.12 -0.83 0.00 0.00 0.00 175.10 175.03 3iaq s GLY 331 N 0.16 1.57 -0.86 4.51 0.00 -1.26 0.49 107.32 111.93 3iaq s GLY 331 Ca -0.13 -1.64 -0.25 0.00 0.00 0.00 0.00 44.72 42.71 3iaq s GLY 331 CO 0.07 0.60 2.02 -1.36 0.00 0.00 0.00 173.10 174.43 3iaq s PHE 332 N 1.16 1.69 0.03 1.90 0.40 -1.26 -4.74 117.98 117.16 3iaq s PHE 332 Ca -0.07 0.86 -0.01 0.00 -0.60 0.00 0.00 56.93 57.11 3iaq s PHE 332 Cb -0.19 -3.95 -0.02 0.00 0.51 0.00 0.00 43.02 39.37 3iaq s PHE 332 CO -0.06 -1.77 -0.01 -0.98 0.70 0.00 0.00 175.22 173.10 3iaq s ARG 333 N 7.31 0.41 -0.11 0.44 3.03 -1.26 -1.48 118.95 127.28 3iaq s ARG 333 Ca 0.74 -0.76 0.03 0.00 2.03 0.00 0.00 55.73 57.77 3iaq s ARG 333 Cb -0.08 0.15 0.01 0.00 -1.03 0.00 0.00 34.95 33.99 3iaq s ARG 333 CO 0.02 -0.07 -0.21 -2.00 -1.13 0.00 0.00 175.30 171.91 3iaq s GLU 334 N -2.13 2.75 -0.20 3.89 2.12 -1.26 -4.88 118.70 119.00 3iaq s GLU 334 Ca -0.10 -0.77 -0.03 0.00 0.36 0.00 0.00 54.97 54.44 3iaq s GLU 334 Cb -0.05 -2.19 -0.01 0.00 0.26 0.00 0.00 34.13 32.15 3iaq s GLU 334 CO -0.03 0.05 -0.06 0.08 -0.54 0.00 0.00 175.26 174.75 3iaq s VAL 335 N 0.66 3.31 0.02 3.70 1.01 -1.26 -0.62 120.40 127.23 3iaq s VAL 335 Ca -0.12 -0.53 -0.14 0.00 0.00 0.00 0.00 61.98 61.20 3iaq s VAL 335 Cb -0.16 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.76 3iaq s VAL 335 CO 0.03 0.45 0.29 0.00 0.00 0.00 0.00 175.10 175.87 3iaq s ARG 336 N 1.15 0.73 -0.31 2.72 1.70 -0.82 -4.60 118.95 119.53 3iaq s ARG 336 Ca 0.02 -0.39 -0.12 0.00 -0.47 0.00 0.00 55.73 54.77 3iaq s ARG 336 Cb -0.14 0.32 -0.03 0.00 -0.57 0.00 0.00 34.95 34.52 3iaq s ARG 336 CO -0.01 -0.22 0.20 0.42 -1.08 0.00 0.00 175.30 174.61 3iaq s ILE 337 N -2.04 5.19 -0.07 4.99 1.01 -1.26 0.02 121.20 129.04 3iaq s ILE 337 Ca -0.09 -0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.51 3iaq s ILE 337 Cb -0.03 -3.57 0.02 0.00 0.01 0.00 0.00 42.46 38.89 3iaq s ILE 337 CO -0.00 0.13 -0.09 -0.70 0.00 0.00 0.00 174.94 174.27 3iaq s GLU 338 N 1.72 1.42 -1.90 2.79 2.12 -0.21 -4.83 118.70 119.83 3iaq s GLU 338 Ca 0.06 -0.28 0.00 0.00 0.36 0.00 0.00 54.97 55.11 3iaq s GLU 338 Cb -0.17 -1.31 0.00 0.00 0.26 0.00 0.00 34.13 32.91 3iaq s GLU 338 CO 0.10 -0.09 0.00 -1.71 -0.54 0.00 0.00 175.26 173.02 3iaq n ASN 339 N 4.22 -5.64 0.00 -1.70 5.15 -1.26 -1.53 115.26 114.49 3iaq n ASN 339 Ca -0.20 0.18 0.00 0.00 -0.60 0.00 0.00 54.58 53.97 3iaq n ASN 339 Cb 0.51 -4.77 0.00 0.00 -0.53 0.00 0.00 39.78 34.99 3iaq n ASN 339 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3iaq n GLY 340 N -0.81 0.66 3.61 8.20 0.00 -1.26 -5.05 105.19 110.55 3iaq n GLY 340 Ca -0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 3iaq n GLY 340 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iaq s LEU 341 N 0.00 3.26 -0.27 0.99 1.43 -0.59 -2.44 118.68 121.06 3iaq s LEU 341 Ca 0.00 -0.07 -0.26 0.00 -1.03 0.00 0.00 54.13 52.77 3iaq s LEU 341 Cb 0.00 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.41 3iaq s LEU 341 CO 0.00 0.31 0.92 -0.22 0.23 0.00 0.00 176.35 177.59 3iaq s LEU 342 N -1.24 4.06 -0.07 1.79 2.96 -1.26 -1.04 118.68 123.88 3iaq s LEU 342 Ca 0.16 1.03 0.01 0.00 -0.22 0.00 0.00 54.13 55.11 3iaq s LEU 342 Cb -0.11 -3.32 -0.03 0.00 0.50 0.00 0.00 46.19 43.23 3iaq s LEU 342 CO 0.06 -0.65 -0.08 -0.76 -1.32 0.00 0.00 176.35 173.60 3iaq s LEU 343 N 3.12 3.12 -0.20 -0.68 1.43 0.10 -2.40 118.68 123.17 3iaq s LEU 343 Ca 0.39 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.46 3iaq s LEU 343 Cb -0.14 -1.68 0.03 0.00 0.03 0.00 0.00 46.19 44.43 3iaq s LEU 343 CO 0.10 0.36 -0.16 -0.22 0.23 0.00 0.00 176.35 176.65 3iaq s LEU 344 N -0.78 2.48 -1.53 1.79 2.96 -0.28 -1.94 118.68 121.39 3iaq s LEU 344 Ca 0.12 -0.87 -0.12 0.00 -0.22 0.00 0.00 54.13 53.03 3iaq s LEU 344 Cb -0.11 -1.46 0.08 0.00 0.50 0.00 0.00 46.19 45.21 3iaq s LEU 344 CO 0.01 -0.07 0.91 0.59 -1.32 0.00 0.00 176.35 176.48 3iaq n ASN 345 N 4.58 -4.10 0.00 3.68 3.02 0.21 -2.18 115.26 120.48 3iaq n ASN 345 Ca -0.18 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 3iaq n ASN 345 Cb 0.47 -3.74 0.00 0.00 -0.61 0.00 0.00 39.78 35.90 3iaq n ASN 345 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iaq n GLY 346 N -1.66 0.81 3.23 7.41 0.00 -1.26 -5.02 105.19 108.69 3iaq n GLY 346 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3iaq n GLY 346 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iaq s LYS 347 N -0.05 2.71 -0.15 1.61 -0.14 -0.93 -5.02 119.74 117.76 3iaq s LYS 347 Ca 0.00 -0.86 -0.29 0.00 -1.36 0.00 0.00 55.97 53.46 3iaq s LYS 347 Cb 0.00 -2.16 -0.06 0.00 -1.68 0.00 0.00 37.83 33.93 3iaq s LYS 347 CO 0.00 0.27 2.06 -1.25 -0.76 0.00 0.00 175.35 175.67 3iaq s PRO 348 N 0.11 3.50 0.57 -1.68 0.04 -1.26 -1.13 135.00 135.15 3iaq s PRO 348 Ca -0.11 2.12 -0.19 0.00 0.04 0.00 0.00 61.00 62.86 3iaq s PRO 348 Cb -0.16 -4.27 -0.04 0.00 0.04 0.00 0.00 34.50 30.07 3iaq s PRO 348 CO 0.06 -1.68 1.14 -0.51 0.04 0.00 0.00 177.00 176.05 3iaq s LEU 349 N 6.81 3.67 -0.32 -3.56 1.43 -1.01 -4.96 118.68 120.75 3iaq s LEU 349 Ca 0.93 2.20 0.03 0.00 -1.03 0.00 0.00 54.13 56.25 3iaq s LEU 349 Cb -0.34 -4.58 0.09 0.00 0.03 0.00 0.00 46.19 41.39 3iaq s LEU 349 CO 0.36 -1.37 0.04 -0.22 0.23 0.00 0.00 176.35 175.39 3iaq s LEU 350 N -4.03 3.95 -0.49 1.79 2.96 -1.26 -4.78 118.68 116.82 3iaq s LEU 350 Ca 0.73 -1.92 -0.28 0.00 -0.22 0.00 0.00 54.13 52.44 3iaq s LEU 350 Cb -0.25 -1.42 0.01 0.00 0.50 0.00 0.00 46.19 45.03 3iaq s LEU 350 CO 0.30 -0.36 1.43 -0.63 -1.32 0.00 0.00 176.35 175.77 3iaq s ILE 351 N 1.11 3.83 -1.09 6.68 -1.09 0.13 -4.92 121.20 125.85 3iaq s ILE 351 Ca 0.08 0.78 -0.11 0.00 -2.23 0.00 0.00 60.65 59.18 3iaq s ILE 351 Cb -0.19 -4.30 0.25 0.00 -1.58 0.00 0.00 42.46 36.64 3iaq s ILE 351 CO -0.11 -0.95 1.13 -0.13 -1.23 0.00 0.00 174.94 173.65 3iaq s ARG 352 N 5.26 4.09 0.35 2.79 0.52 -1.26 -2.32 118.95 128.37 3iaq s ARG 352 Ca 0.58 -2.95 0.09 0.00 -0.52 0.00 0.00 55.73 52.92 3iaq s ARG 352 Cb -0.12 -4.65 -0.05 0.00 0.52 0.00 0.00 34.95 30.65 3iaq s ARG 352 CO 0.29 -1.37 0.05 0.20 0.02 0.00 0.00 175.30 174.50 3iaq s GLY 353 N 1.79 2.09 0.02 -3.53 0.00 -0.56 -0.42 107.32 106.71 3iaq s GLY 353 Ca 0.31 -1.97 -0.01 0.00 0.00 0.00 0.00 44.72 43.06 3iaq s GLY 353 CO -0.07 -1.89 -0.01 0.54 0.00 0.00 0.00 173.10 171.68 3iaq s VAL 354 N -2.52 0.10 0.13 1.40 0.11 -0.67 -0.42 120.40 118.53 3iaq s VAL 354 Ca 0.36 -0.80 -0.28 0.00 -2.93 0.00 0.00 61.98 58.33 3iaq s VAL 354 Cb 0.00 -0.26 -0.07 0.00 -1.53 0.00 0.00 36.38 34.53 3iaq s VAL 354 CO 0.20 -0.44 0.87 0.20 -3.33 0.00 0.00 175.10 172.60 3iaq s ASN 355 N -1.31 7.44 -0.12 3.54 0.01 0.17 -0.80 114.94 123.86 3iaq s ASN 355 Ca -0.14 1.71 -0.01 0.00 -0.71 0.00 0.00 52.86 53.71 3iaq s ASN 355 Cb -0.09 -2.54 0.03 0.00 0.41 0.00 0.00 41.25 39.06 3iaq s ASN 355 CO -0.01 0.06 -0.06 -0.60 -1.51 0.00 0.00 177.10 174.99 3iaq s ARG 356 N -0.51 1.36 0.29 -0.60 3.52 -0.72 -0.68 118.95 121.62 3iaq s ARG 356 Ca 0.41 -0.25 -0.10 0.00 -0.13 0.00 0.00 55.73 55.66 3iaq s ARG 356 Cb -0.23 -1.58 -0.07 0.00 -1.56 0.00 0.00 34.95 31.51 3iaq s ARG 356 CO 0.28 -0.31 0.63 -1.01 -0.81 0.00 0.00 175.30 174.08 3iaq s HIS 357 N 1.74 3.43 -0.91 5.12 3.76 -1.26 -3.56 115.29 123.61 3iaq s HIS 357 Ca 0.04 0.95 -0.22 0.00 -0.15 0.00 0.00 55.06 55.68 3iaq s HIS 357 Cb -0.13 -2.33 0.08 0.00 1.11 0.00 0.00 32.58 31.31 3iaq s HIS 357 CO -0.08 0.15 1.25 -1.21 -0.85 0.00 0.00 174.74 174.00 3iaq s GLU 358 N -3.15 3.49 0.02 1.40 2.02 -1.26 -4.94 118.70 116.28 3iaq s GLU 358 Ca 0.49 -1.23 0.03 0.00 0.02 0.00 0.00 54.97 54.28 3iaq s GLU 358 Cb -0.11 -4.94 -0.01 0.00 0.10 0.00 0.00 34.13 29.17 3iaq s GLU 358 CO 0.23 -2.00 -0.09 -1.58 0.02 0.00 0.00 175.26 171.85 3iaq s HIS 359 N 4.11 0.76 -0.05 1.61 2.46 -1.26 -4.40 115.29 118.52 3iaq s HIS 359 Ca 0.37 -0.27 -0.02 0.00 0.47 0.00 0.00 55.06 55.61 3iaq s HIS 359 Cb -0.05 -0.47 0.03 0.00 -0.13 0.00 0.00 32.58 31.97 3iaq s HIS 359 CO -0.05 -0.02 0.12 -1.58 -2.47 0.00 0.00 174.74 170.74 3iaq s HIS 360 N -0.63 -0.12 0.54 3.88 5.04 0.27 -4.98 115.29 119.29 3iaq s HIS 360 Ca -0.01 0.38 0.23 0.00 -1.54 0.00 0.00 55.06 54.12 3iaq s HIS 360 Cb -0.06 -0.08 1.42 0.00 0.04 0.00 0.00 32.58 33.90 3iaq s HIS 360 CO 0.00 -0.13 2.06 -1.00 -2.34 0.00 0.00 174.74 173.34 3iaq h PRO 361 N 6.99 0.00 0.00 2.88 0.13 -1.77 -0.33 132.00 139.90 3iaq h PRO 361 Ca -0.40 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.41 3iaq h PRO 361 Cb 1.15 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 3iaq h PRO 361 CO 0.44 0.00 -2.11 1.28 -0.23 0.00 0.00 178.00 177.38 3iaq n LEU 362 N -4.29 2.00 -0.51 1.56 4.77 -1.26 -1.20 117.00 118.07 3iaq n LEU 362 Ca 0.04 0.12 0.14 0.00 -0.03 0.00 0.00 56.01 56.28 3iaq n LEU 362 Cb 0.40 -0.62 0.46 0.00 -2.33 0.00 0.00 43.42 41.33 3iaq n LEU 362 CO 0.34 0.57 0.82 1.41 -1.33 0.00 0.00 177.39 179.20 3iaq n HIS 363 N -3.59 0.00 0.00 -1.77 8.25 -1.23 -4.92 115.22 111.96 3iaq n HIS 363 Ca -0.37 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.09 3iaq n HIS 363 Cb 0.81 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.91 3iaq n HIS 363 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3iaq n GLY 364 N 1.21 1.53 0.67 -1.41 0.00 -0.14 -3.02 105.19 104.03 3iaq n GLY 364 Ca 0.18 0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.27 3iaq n GLY 364 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3iaq n GLN 365 N 0.00 2.53 -2.80 1.61 6.02 -1.26 0.94 117.38 124.41 3iaq n GLN 365 Ca 0.00 -1.97 -0.42 0.00 -0.01 0.00 0.00 57.00 54.60 3iaq n GLN 365 Cb 0.00 -1.29 -0.03 0.00 1.02 0.00 0.00 30.24 29.94 3iaq n GLN 365 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3iaq s VAL 366 N -1.00 4.89 -0.10 5.09 1.01 -1.17 -4.82 120.40 124.30 3iaq s VAL 366 Ca 0.24 1.87 -0.05 0.00 0.00 0.00 0.00 61.98 64.04 3iaq s VAL 366 Cb 0.13 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 3iaq s VAL 366 CO 0.17 0.13 0.08 -0.04 0.00 0.00 0.00 175.10 175.43 3iaq s MET 367 N 1.35 3.23 0.15 2.72 -1.94 -1.26 -4.73 119.30 118.82 3iaq s MET 367 Ca 0.46 -0.26 0.10 0.00 -1.71 0.00 0.00 55.69 54.28 3iaq s MET 367 Cb -0.19 -3.01 -0.04 0.00 2.01 0.00 0.00 34.83 33.60 3iaq s MET 367 CO 0.21 0.74 -0.22 0.16 -0.01 0.00 0.00 175.02 175.91 3iaq s ASP 368 N -0.96 3.00 0.21 3.03 -4.77 -1.26 -5.05 116.67 110.87 3iaq s ASP 368 Ca 0.14 -0.81 -0.11 0.00 -3.30 0.00 0.00 52.55 48.48 3iaq s ASP 368 Cb -0.12 -0.20 0.28 0.00 -1.09 0.00 0.00 42.92 41.79 3iaq s ASP 368 CO 0.03 0.07 1.68 -0.08 0.70 0.00 0.00 175.17 177.58 3iaq h GLU 369 N 3.52 0.16 -0.35 2.11 4.81 -1.99 -1.42 114.58 121.41 3iaq h GLU 369 Ca -0.46 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 58.81 3iaq h GLU 369 Cb 1.19 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.49 3iaq h GLU 369 CO 0.45 0.11 0.07 0.37 -0.73 0.00 0.00 179.01 179.28 3iaq h GLN 370 N 0.17 0.18 -0.14 1.92 4.15 -1.99 0.13 115.11 119.53 3iaq h GLN 370 Ca 0.31 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.71 3iaq h GLN 370 Cb 0.48 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 3iaq h GLN 370 CO -0.46 0.12 0.06 1.15 -1.93 0.00 0.00 178.83 177.77 3iaq h THR 371 N 0.18 1.14 -0.99 2.39 2.02 -1.81 0.81 112.91 116.66 3iaq h THR 371 Ca 0.17 -0.40 0.04 0.00 0.77 0.00 0.00 66.41 66.99 3iaq h THR 371 Cb 0.19 1.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.69 3iaq h THR 371 CO -0.22 0.13 0.65 0.24 0.37 0.00 0.00 175.52 176.68 3iaq h MET 372 N 0.09 1.19 -0.24 6.66 2.86 -0.96 -0.45 114.93 124.08 3iaq h MET 372 Ca 0.05 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.55 3iaq h MET 372 Cb 0.14 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 3iaq h MET 372 CO -0.01 0.79 -0.10 0.28 1.06 0.00 0.00 176.91 178.93 3iaq h VAL 373 N 1.23 1.30 -0.99 -2.22 2.07 -0.79 -2.64 116.25 114.21 3iaq h VAL 373 Ca 0.40 -1.16 0.08 0.00 0.82 0.00 0.00 66.70 66.84 3iaq h VAL 373 Cb 0.04 1.55 -0.07 0.00 -1.52 0.00 0.00 31.29 31.28 3iaq h VAL 373 CO -0.13 0.36 0.63 -0.61 0.02 0.00 0.00 177.57 177.84 3iaq h GLN 374 N 0.22 1.06 -0.20 1.57 4.15 -0.20 -0.99 115.11 120.72 3iaq h GLN 374 Ca 0.06 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 3iaq h GLN 374 Cb 0.59 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 3iaq h GLN 374 CO 0.03 0.70 -0.03 -0.44 -1.93 0.00 0.00 178.83 177.16 3iaq h ASP 375 N 1.10 0.38 -0.56 -0.69 3.32 -1.08 -2.43 116.42 116.46 3iaq h ASP 375 Ca 0.45 -0.35 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 3iaq h ASP 375 Cb 0.28 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 3iaq h ASP 375 CO -0.21 0.64 0.13 0.40 -1.72 0.00 0.00 179.24 178.48 3iaq h ILE 376 N 0.12 1.25 0.12 0.35 2.04 -1.10 0.86 117.51 121.15 3iaq h ILE 376 Ca 0.05 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 65.02 3iaq h ILE 376 Cb 0.46 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3iaq h ILE 376 CO 0.02 0.33 -0.13 -0.07 0.00 0.00 0.00 178.15 178.30 3iaq h LEU 377 N 0.80 -0.34 -0.84 1.44 3.38 -1.23 0.25 115.31 118.77 3iaq h LEU 377 Ca 0.17 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3iaq h LEU 377 Cb 0.36 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 3iaq h LEU 377 CO 0.00 -0.20 0.53 -0.07 0.09 0.00 0.00 178.44 178.80 3iaq h LEU 378 N -0.28 0.99 0.12 1.67 3.38 -1.29 0.16 115.31 120.06 3iaq h LEU 378 Ca 0.01 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3iaq h LEU 378 Cb 0.27 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3iaq h LEU 378 CO -0.04 0.75 -0.06 0.24 0.09 0.00 0.00 178.44 179.42 3iaq h MET 379 N 1.15 -0.15 -0.37 1.13 2.86 -0.59 -1.62 114.93 117.34 3iaq h MET 379 Ca 0.31 0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.83 3iaq h MET 379 Cb -0.08 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 3iaq h MET 379 CO -0.06 -0.09 -0.27 0.87 1.06 0.00 0.00 176.91 178.42 3iaq h LYS 380 N -0.17 0.76 0.00 1.72 1.57 -0.75 -1.49 116.57 118.21 3iaq h LYS 380 Ca -0.02 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 3iaq h LYS 380 Cb 0.13 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 3iaq h LYS 380 CO 0.03 0.94 -0.04 1.96 -0.57 0.00 0.00 179.45 181.77 3iaq h GLN 381 N 0.65 0.00 -0.58 3.15 4.20 -0.59 -2.38 115.11 119.57 3iaq h GLN 381 Ca 0.08 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.47 3iaq h GLN 381 Cb 0.79 0.00 -0.19 0.00 0.30 0.00 0.00 27.48 28.37 3iaq h GLN 381 CO 0.06 0.04 0.10 0.09 -0.67 0.00 0.00 178.83 178.45 3iaq n ASN 382 N -3.35 3.33 -2.03 1.46 3.02 -0.62 -4.96 115.26 112.12 3iaq n ASN 382 Ca -0.02 -3.76 -0.19 0.00 -0.03 0.00 0.00 54.58 50.58 3iaq n ASN 382 Cb 0.17 -0.69 -0.03 0.00 -0.61 0.00 0.00 39.78 38.62 3iaq n ASN 382 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3iaq n ASN 383 N -1.09 -5.52 -4.82 6.41 3.02 -0.90 -3.97 115.26 108.40 3iaq n ASN 383 Ca 0.43 0.11 -0.37 0.00 -0.03 0.00 0.00 54.58 54.72 3iaq n ASN 383 Cb 1.15 -4.60 -0.06 0.00 -0.61 0.00 0.00 39.78 35.66 3iaq n ASN 383 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3iaq s PHE 384 N -2.90 3.70 0.00 3.10 0.08 -0.63 -4.82 117.98 116.51 3iaq s PHE 384 Ca 0.00 1.31 0.00 0.00 0.12 0.00 0.00 56.93 58.36 3iaq s PHE 384 Cb 0.00 -2.54 0.00 0.00 -0.57 0.00 0.00 43.02 39.91 3iaq s PHE 384 CO 0.00 0.43 0.73 0.27 -0.10 0.00 0.00 175.22 176.56 3iaq n ASN 385 N 1.05 1.19 -3.63 1.36 6.94 0.44 -4.27 115.26 118.34 3iaq n ASN 385 Ca -0.05 -1.53 -0.15 0.00 -0.02 0.00 0.00 54.58 52.83 3iaq n ASN 385 Cb 0.51 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.85 3iaq n ASN 385 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3iaq s ALA 386 N -0.53 -1.43 0.01 -2.53 0.00 -1.10 -0.32 121.76 115.86 3iaq s ALA 386 Ca 0.00 1.22 0.02 0.00 0.00 0.00 0.00 51.96 53.20 3iaq s ALA 386 Cb 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 3iaq s ALA 386 CO 0.00 -0.31 -0.06 0.54 0.00 0.00 0.00 175.76 175.93 3iaq s VAL 387 N -0.65 0.44 -0.17 0.00 0.11 0.86 -1.67 120.40 119.32 3iaq s VAL 387 Ca -0.07 -0.45 -0.07 0.00 -2.93 0.00 0.00 61.98 58.46 3iaq s VAL 387 Cb -0.03 -0.41 -0.04 0.00 -1.53 0.00 0.00 36.38 34.37 3iaq s VAL 387 CO 0.05 -0.02 0.07 -0.60 -3.33 0.00 0.00 175.10 171.27 3iaq s ARG 388 N -0.51 3.86 -1.47 1.54 3.52 0.02 -1.46 118.95 124.45 3iaq s ARG 388 Ca -0.01 -0.33 -0.11 0.00 -0.13 0.00 0.00 55.73 55.15 3iaq s ARG 388 Cb -0.04 -3.18 -0.06 0.00 -1.56 0.00 0.00 34.95 30.11 3iaq s ARG 388 CO -0.00 0.36 2.65 0.00 -0.81 0.00 0.00 175.30 177.49 3iaq s SER 390 N 2.68 6.58 -0.47 0.00 1.04 -1.23 -0.72 113.70 121.58 3iaq s SER 390 Ca 0.60 1.77 0.09 0.00 0.48 0.00 0.00 55.95 58.89 3iaq s SER 390 Cb 0.16 -2.53 0.33 0.00 0.10 0.00 0.00 66.02 64.07 3iaq s SER 390 CO -0.06 -1.07 0.78 1.41 0.98 0.00 0.00 173.24 175.29 3iaq n HIS 391 N 7.71 1.74 -3.58 5.02 -0.00 -1.26 -4.04 115.22 120.81 3iaq n HIS 391 Ca 0.17 -3.88 -0.08 0.00 -0.00 0.00 0.00 57.72 53.93 3iaq n HIS 391 Cb 0.45 -0.45 -0.04 0.00 -0.00 0.00 0.00 29.99 29.95 3iaq n HIS 391 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 3iaq s TYR 392 N -2.65 -0.27 0.44 4.41 -0.85 0.10 -4.28 117.35 114.24 3iaq s TYR 392 Ca 0.43 0.37 -0.24 0.00 -0.52 0.00 0.00 57.07 57.10 3iaq s TYR 392 Cb 0.29 0.48 -0.10 0.00 0.38 0.00 0.00 41.96 43.02 3iaq s TYR 392 CO -0.10 -0.30 1.15 -2.30 -1.52 0.00 0.00 175.55 172.49 3iaq n PRO 393 N 0.39 1.62 -2.84 -3.49 -0.02 -0.55 -4.59 135.00 125.53 3iaq n PRO 393 Ca -0.06 0.58 -0.22 0.00 -2.02 0.00 0.00 63.50 61.78 3iaq n PRO 393 Cb 0.59 -2.24 0.02 0.00 -0.02 0.00 0.00 33.50 31.85 3iaq n PRO 393 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3iaq s ASN 394 N -0.68 5.58 0.02 2.55 -0.87 -1.26 -4.82 114.94 115.46 3iaq s ASN 394 Ca 0.63 0.13 -0.38 0.00 -1.57 0.00 0.00 52.86 51.67 3iaq s ASN 394 Cb -0.52 -1.21 -0.17 0.00 -0.02 0.00 0.00 41.25 39.33 3iaq s ASN 394 CO 0.56 -0.90 1.36 1.57 -2.57 0.00 0.00 177.10 177.12 3iaq n HIS 395 N -2.19 1.46 -0.40 2.20 -0.00 -1.26 -4.83 115.22 110.20 3iaq n HIS 395 Ca 0.04 0.70 0.34 0.00 -0.00 0.00 0.00 57.72 58.80 3iaq n HIS 395 Cb 0.59 -2.31 0.61 0.00 -0.00 0.00 0.00 29.99 28.88 3iaq n HIS 395 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3iaq h PRO 396 N 4.66 0.09 0.00 1.57 0.10 -1.96 -0.25 132.00 136.21 3iaq h PRO 396 Ca -0.48 -0.01 -0.03 0.00 0.10 0.00 0.00 66.00 65.58 3iaq h PRO 396 Cb 1.35 -0.02 -0.00 0.00 0.10 0.00 0.00 31.00 32.42 3iaq h PRO 396 CO 0.79 0.06 -0.14 1.25 0.10 0.00 0.00 178.00 180.05 3iaq h LEU 397 N 0.09 0.00 -0.99 2.35 5.85 -2.01 -3.05 115.31 117.55 3iaq h LEU 397 Ca 0.82 0.00 0.01 0.00 0.84 0.00 0.00 57.88 59.55 3iaq h LEU 397 Cb 2.39 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 43.37 3iaq h LEU 397 CO -0.54 0.14 0.65 -0.25 -0.34 0.00 0.00 178.44 178.10 3iaq h TRP 398 N 0.00 1.25 -0.26 1.25 2.91 -1.38 -1.92 115.95 117.79 3iaq h TRP 398 Ca -0.00 0.03 -0.15 0.00 1.13 0.00 0.00 58.89 59.90 3iaq h TRP 398 Cb 0.61 -0.42 -0.00 0.00 -0.51 0.00 0.00 29.16 28.84 3iaq h TRP 398 CO 0.00 0.79 -0.41 1.88 -1.03 0.00 0.00 178.44 179.67 3iaq h TYR 399 N 1.34 0.92 -0.39 2.65 -1.99 -1.70 -0.87 116.97 116.94 3iaq h TYR 399 Ca 0.36 -0.31 0.03 0.00 2.00 0.00 0.00 58.73 60.81 3iaq h TYR 399 Cb -0.15 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 38.37 3iaq h TYR 399 CO -0.00 1.09 0.18 1.15 -0.00 0.00 0.00 178.16 180.59 3iaq h THR 400 N 0.48 0.96 -0.30 -2.88 2.02 -1.61 -0.64 112.91 110.95 3iaq h THR 400 Ca 0.02 -0.13 -0.11 0.00 0.77 0.00 0.00 66.41 66.96 3iaq h THR 400 Cb 1.00 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 3iaq h THR 400 CO 0.09 0.07 -0.29 -0.07 0.37 0.00 0.00 175.52 175.69 3iaq h LEU 401 N 0.37 0.63 -0.69 2.58 3.38 -1.26 -2.19 115.31 118.12 3iaq h LEU 401 Ca 0.17 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 3iaq h LEU 401 Cb 0.09 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3iaq h LEU 401 CO -0.13 0.89 -0.07 0.00 0.09 0.00 0.00 178.44 179.22 3iaq h ASP 403 N 0.85 0.17 0.40 0.00 3.32 -0.92 -1.21 116.42 119.02 3iaq h ASP 403 Ca 0.14 0.03 -0.32 0.00 0.02 0.00 0.00 57.03 56.91 3iaq h ASP 403 Cb 0.60 0.01 0.03 0.00 0.22 0.00 0.00 39.33 40.18 3iaq h ASP 403 CO 0.04 0.13 -1.41 0.03 -1.72 0.00 0.00 179.24 176.31 3iaq h ARG 404 N 0.29 0.44 0.04 3.56 3.08 -1.11 -3.33 114.38 117.35 3iaq h ARG 404 Ca 0.15 -0.76 -0.28 0.00 0.07 0.00 0.00 59.98 59.17 3iaq h ARG 404 Cb 0.10 0.28 -0.03 0.00 0.08 0.00 0.00 29.97 30.40 3iaq h ARG 404 CO -0.14 1.36 -1.47 1.88 -1.07 0.00 0.00 179.97 180.53 3iaq h TYR 405 N 0.12 0.15 -0.04 3.04 0.05 -1.01 -3.45 116.97 115.82 3iaq h TYR 405 Ca -0.22 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.45 3iaq h TYR 405 Cb 2.10 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 39.84 3iaq h TYR 405 CO 0.10 1.15 0.00 0.41 -1.05 0.00 0.00 178.16 178.77 3iaq n GLY 406 N 1.55 -0.05 3.09 3.88 0.00 -0.49 -4.78 105.19 108.39 3iaq n GLY 406 Ca -0.13 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 3iaq n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iaq s LEU 407 N -0.00 0.08 0.15 0.99 1.43 -0.98 -4.65 118.68 115.70 3iaq s LEU 407 Ca 0.00 0.63 -0.31 0.00 -1.03 0.00 0.00 54.13 53.42 3iaq s LEU 407 Cb 0.00 0.87 -0.09 0.00 0.03 0.00 0.00 46.19 46.99 3iaq s LEU 407 CO 0.00 -0.19 1.48 -0.31 0.23 0.00 0.00 176.35 177.56 3iaq s TYR 408 N 1.66 3.14 -0.08 0.29 2.02 0.56 -4.76 117.35 120.18 3iaq s TYR 408 Ca -0.06 0.80 0.04 0.00 -0.37 0.00 0.00 57.07 57.48 3iaq s TYR 408 Cb -0.11 -3.81 -0.01 0.00 -0.40 0.00 0.00 41.96 37.63 3iaq s TYR 408 CO -0.10 -2.91 -0.22 0.08 -1.57 0.00 0.00 175.55 170.83 3iaq s VAL 409 N 1.02 2.26 -0.39 0.71 1.01 -0.00 -0.10 120.40 124.91 3iaq s VAL 409 Ca 0.67 -0.97 -0.14 0.00 0.00 0.00 0.00 61.98 61.54 3iaq s VAL 409 Cb -0.41 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.13 3iaq s VAL 409 CO 0.32 0.56 0.26 -0.69 0.00 0.00 0.00 175.10 175.55 3iaq s VAL 410 N 0.04 5.10 -0.21 2.92 1.01 -0.54 -1.45 120.40 127.27 3iaq s VAL 410 Ca -0.09 -0.61 -0.19 0.00 0.00 0.00 0.00 61.98 61.09 3iaq s VAL 410 Cb -0.15 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 3iaq s VAL 410 CO 0.06 -0.23 0.55 -0.62 0.00 0.00 0.00 175.10 174.86 3iaq s ASP 411 N 1.66 6.57 -0.11 3.32 -1.08 -0.62 -1.55 116.67 124.86 3iaq s ASP 411 Ca 0.05 0.68 0.04 0.00 -0.52 0.00 0.00 52.55 52.80 3iaq s ASP 411 Cb -0.19 -2.30 0.00 0.00 -1.46 0.00 0.00 42.92 38.97 3iaq s ASP 411 CO 0.09 -0.23 -0.23 -0.70 0.52 0.00 0.00 175.17 174.62 3iaq s GLU 412 N 1.85 3.01 0.55 4.34 2.12 -1.26 -0.67 118.70 128.63 3iaq s GLU 412 Ca 0.25 -0.86 -0.19 0.00 0.36 0.00 0.00 54.97 54.52 3iaq s GLU 412 Cb -0.16 -2.30 -0.06 0.00 0.26 0.00 0.00 34.13 31.88 3iaq s GLU 412 CO 0.10 0.15 1.14 0.00 -0.54 0.00 0.00 175.26 176.10 3iaq s ALA 413 N 0.42 2.67 -1.38 6.30 0.00 -0.74 -1.48 121.76 127.56 3iaq s ALA 413 Ca -0.17 0.86 -0.15 0.00 0.00 0.00 0.00 51.96 52.50 3iaq s ALA 413 Cb -0.18 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.59 3iaq s ALA 413 CO 0.07 -0.83 2.19 -1.71 0.00 0.00 0.00 175.76 175.48 3iaq n ASN 414 N -1.34 3.73 -3.59 0.00 5.15 -1.26 -4.12 115.26 113.82 3iaq n ASN 414 Ca 0.12 -2.82 -0.29 0.00 -0.60 0.00 0.00 54.58 50.99 3iaq n ASN 414 Cb 0.51 -1.60 -0.15 0.00 -0.53 0.00 0.00 39.78 38.01 3iaq n ASN 414 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3iaq s ILE 415 N 3.44 0.13 -0.10 -1.44 1.01 -1.24 -4.75 121.20 118.25 3iaq s ILE 415 Ca 0.48 -0.79 -0.02 0.00 0.00 0.00 0.00 60.65 60.32 3iaq s ILE 415 Cb 0.14 -1.06 0.04 0.00 0.01 0.00 0.00 42.46 41.59 3iaq s ILE 415 CO -0.06 -0.64 0.01 -0.69 0.00 0.00 0.00 174.94 173.56 3iaq s VAL 416 N 2.00 0.38 -0.33 2.92 1.01 0.55 -1.84 120.40 125.09 3iaq s VAL 416 Ca 0.08 -0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.09 3iaq s VAL 416 Cb -0.16 -0.64 0.46 0.00 0.00 0.00 0.00 36.38 36.04 3iaq s VAL 416 CO -0.30 0.14 1.28 0.35 0.00 0.00 0.00 175.10 176.57 3iaq n THR 417 N 5.13 2.64 -0.32 3.92 -2.24 -1.17 -0.68 114.28 121.57 3iaq n THR 417 Ca -0.07 -4.06 0.07 0.00 -2.27 0.00 0.00 64.05 57.71 3iaq n THR 417 Cb 0.49 -1.13 0.23 0.00 -2.10 0.00 0.00 70.33 67.82 3iaq n THR 417 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3iaq h HIS 418 N 2.14 0.95 -0.09 4.78 2.76 -1.60 -2.43 115.15 121.66 3iaq h HIS 418 Ca 0.39 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.59 3iaq h HIS 418 Cb 1.46 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 30.13 3iaq h HIS 418 CO 0.91 0.32 0.00 0.41 -1.30 0.00 0.00 177.93 178.27 3iaq n GLY 419 N -1.33 -0.51 3.81 5.26 0.00 -1.23 -4.80 105.19 106.39 3iaq n GLY 419 Ca 0.17 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3iaq n GLY 419 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3iaq s MET 420 N -1.88 3.11 -0.26 1.61 1.00 -0.92 -4.77 119.30 117.20 3iaq s MET 420 Ca 0.18 1.06 -0.01 0.00 0.00 0.00 0.00 55.69 56.91 3iaq s MET 420 Cb 0.09 -2.01 0.08 0.00 0.00 0.00 0.00 34.83 32.99 3iaq s MET 420 CO 0.13 -0.97 0.05 0.08 0.00 0.00 0.00 175.02 174.32 3iaq s VAL 421 N -2.80 0.90 0.82 -6.03 1.01 -1.26 -3.14 120.40 109.89 3iaq s VAL 421 Ca 0.60 -1.11 -0.10 0.00 0.00 0.00 0.00 61.98 61.37 3iaq s VAL 421 Cb -0.15 -1.50 0.12 0.00 0.00 0.00 0.00 36.38 34.85 3iaq s VAL 421 CO 0.47 -0.42 1.15 -2.16 0.00 0.00 0.00 175.10 174.14 3iaq s PRO 422 N 1.65 1.58 0.60 2.72 0.04 -1.26 -4.86 135.00 135.46 3iaq s PRO 422 Ca 0.04 -0.31 0.29 0.00 0.04 0.00 0.00 61.00 61.05 3iaq s PRO 422 Cb -0.17 -2.03 1.49 0.00 0.04 0.00 0.00 34.50 33.83 3iaq s PRO 422 CO -0.16 -1.73 1.90 1.98 0.04 0.00 0.00 177.00 179.03 3iaq h MET 423 N -1.04 0.00 -0.60 4.56 4.05 -1.85 -1.14 114.93 118.90 3iaq h MET 423 Ca -0.44 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.98 3iaq h MET 423 Cb 1.29 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.09 3iaq h MET 423 CO 0.52 0.00 0.00 0.27 0.23 0.00 0.00 176.91 177.93 3iaq n ASN 424 N -3.62 5.60 -0.11 1.39 6.94 -1.25 -3.51 115.26 120.70 3iaq n ASN 424 Ca 0.07 -2.85 -0.06 0.00 -0.02 0.00 0.00 54.58 51.71 3iaq n ASN 424 Cb 0.63 -0.67 0.01 0.00 -2.36 0.00 0.00 39.78 37.39 3iaq n ASN 424 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 3iaq h ARG 425 N 4.04 0.31 -0.01 -3.83 2.43 -1.51 -0.90 114.38 114.91 3iaq h ARG 425 Ca 0.00 -0.02 -0.22 0.00 -0.81 0.00 0.00 59.98 58.93 3iaq h ARG 425 Cb 1.90 -0.07 0.02 0.00 -0.42 0.00 0.00 29.97 31.40 3iaq h ARG 425 CO 0.45 0.20 -0.86 -0.07 -1.51 0.00 0.00 179.97 178.19 3iaq h LEU 426 N 0.31 0.76 -0.90 3.80 3.38 -1.85 -3.29 115.31 117.52 3iaq h LEU 426 Ca 0.16 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.39 3iaq h LEU 426 Cb 0.11 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3iaq h LEU 426 CO -0.14 1.41 0.00 0.71 0.09 0.00 0.00 178.44 180.50 3iaq h THR 427 N 0.20 0.00 -0.01 0.22 1.35 -1.76 -1.39 112.91 111.52 3iaq h THR 427 Ca -0.11 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 3iaq h THR 427 Cb 1.53 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 69.41 3iaq h THR 427 CO 0.17 0.00 -0.35 -0.67 -0.25 0.00 0.00 175.52 174.42 3iaq n ASP 428 N -2.81 1.29 -4.60 5.36 2.03 -0.37 -2.29 116.55 115.16 3iaq n ASP 428 Ca 0.02 -1.05 -0.41 0.00 0.52 0.00 0.00 54.79 53.87 3iaq n ASP 428 Cb 0.34 0.26 -0.06 0.00 -0.72 0.00 0.00 41.12 40.94 3iaq n ASP 428 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3iaq s ASP 429 N -2.53 6.55 0.62 1.67 -1.08 -0.52 -4.57 116.67 116.81 3iaq s ASP 429 Ca 0.22 0.47 0.35 0.00 -0.52 0.00 0.00 52.55 53.07 3iaq s ASP 429 Cb 0.19 -2.36 2.06 0.00 -1.46 0.00 0.00 42.92 41.35 3iaq s ASP 429 CO 0.55 -0.55 2.30 1.55 0.52 0.00 0.00 175.17 179.54 3iaq h PRO 430 N 8.21 0.00 0.00 4.34 0.13 -1.90 -0.82 132.00 141.96 3iaq h PRO 430 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3iaq h PRO 430 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3iaq h PRO 430 CO 0.84 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.15 3iaq n ARG 431 N -3.55 0.63 0.00 0.86 1.74 -1.26 -2.79 116.66 112.29 3iaq n ARG 431 Ca -0.03 0.01 0.05 0.00 -0.77 0.00 0.00 57.85 57.11 3iaq n ARG 431 Cb 0.08 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.04 3iaq n ARG 431 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 3iaq n TRP 432 N -1.17 0.00 -0.18 -1.55 7.02 -0.32 -4.67 117.44 116.58 3iaq n TRP 432 Ca 0.17 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.58 3iaq n TRP 432 Cb 0.18 0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.09 3iaq n TRP 432 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 3iaq h LEU 433 N 1.54 0.61 -0.23 -0.99 5.85 -1.50 -1.54 115.31 119.05 3iaq h LEU 433 Ca 0.00 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.75 3iaq h LEU 433 Cb 0.38 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.19 3iaq h LEU 433 CO 0.00 0.46 -0.23 -0.65 -0.34 0.00 0.00 178.44 177.69 3iaq h PRO 434 N 0.70 -0.23 -0.24 5.25 0.11 -1.83 0.29 132.00 136.05 3iaq h PRO 434 Ca 0.19 0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.21 3iaq h PRO 434 Cb -0.05 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3iaq h PRO 434 CO -0.04 -0.15 -0.28 0.00 -0.21 0.00 0.00 178.00 177.32 3iaq h ALA 435 N 0.82 1.07 -0.27 -0.75 0.00 -1.73 -2.96 119.26 115.43 3iaq h ALA 435 Ca 0.13 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 3iaq h ALA 435 Cb 0.44 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3iaq h ALA 435 CO -0.37 0.57 -0.15 0.52 0.00 0.00 0.00 179.25 179.82 3iaq h MET 436 N 0.42 0.59 -0.34 0.00 2.86 -0.97 -3.25 114.93 114.23 3iaq h MET 436 Ca 0.06 -0.27 0.04 0.00 -2.06 0.00 0.00 59.70 57.47 3iaq h MET 436 Cb 0.70 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.31 3iaq h MET 436 CO 0.05 0.84 0.11 0.66 1.06 0.00 0.00 176.91 179.64 3iaq h SER 437 N 0.33 0.12 -0.66 1.22 4.64 -0.29 -2.31 113.55 116.60 3iaq h SER 437 Ca 0.06 0.04 0.07 0.00 -0.47 0.00 0.00 61.79 61.49 3iaq h SER 437 Cb 0.68 0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.76 3iaq h SER 437 CO 0.04 0.10 0.44 -0.33 -0.87 0.00 0.00 176.83 176.21 3iaq h GLU 438 N 0.26 0.59 -0.10 4.77 5.08 -1.59 0.62 114.58 124.20 3iaq h GLU 438 Ca 0.16 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.37 3iaq h GLU 438 Cb 0.14 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3iaq h GLU 438 CO -0.17 0.39 -0.41 0.00 -1.00 0.00 0.00 179.01 177.83 3iaq h ARG 439 N 0.61 0.23 0.00 2.33 3.08 -1.46 -1.49 114.38 117.68 3iaq h ARG 439 Ca 0.29 -0.11 -0.08 0.00 0.07 0.00 0.00 59.98 60.16 3iaq h ARG 439 Cb 0.35 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3iaq h ARG 439 CO -0.09 0.61 -0.44 0.28 -1.07 0.00 0.00 179.97 179.26 3iaq h VAL 440 N 0.20 1.23 -0.54 2.04 2.07 -1.05 -3.33 116.25 116.87 3iaq h VAL 440 Ca 0.02 -2.08 -0.04 0.00 0.82 0.00 0.00 66.70 65.41 3iaq h VAL 440 Cb 0.81 2.49 -0.02 0.00 -1.52 0.00 0.00 31.29 33.05 3iaq h VAL 440 CO 0.06 0.42 0.18 0.71 0.02 0.00 0.00 177.57 178.96 3iaq h THR 441 N -1.00 1.23 0.00 2.57 1.35 0.15 -2.26 112.91 114.94 3iaq h THR 441 Ca -0.11 -0.76 -0.02 0.00 -0.55 0.00 0.00 66.41 64.97 3iaq h THR 441 Cb 0.97 0.72 -0.00 0.00 -1.73 0.00 0.00 68.15 68.11 3iaq h THR 441 CO -0.07 0.28 -0.10 0.03 -0.25 0.00 0.00 175.52 175.41 3iaq h ARG 442 N 0.74 0.00 0.12 4.72 3.08 -1.47 -2.05 114.38 119.52 3iaq h ARG 442 Ca 0.17 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 3iaq h ARG 442 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3iaq h ARG 442 CO -0.01 0.10 -0.06 1.98 -1.07 0.00 0.00 179.97 180.92 3iaq h MET 443 N 0.00 -0.15 -0.47 0.04 4.05 -1.57 -2.88 114.93 113.95 3iaq h MET 443 Ca -0.00 0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.45 3iaq h MET 443 Cb 0.67 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.48 3iaq h MET 443 CO 0.01 0.28 0.29 0.28 0.23 0.00 0.00 176.91 178.00 3iaq h VAL 444 N -0.65 1.07 -0.46 -5.77 2.07 -1.32 -0.67 116.25 110.52 3iaq h VAL 444 Ca -0.02 -0.20 0.09 0.00 0.82 0.00 0.00 66.70 67.40 3iaq h VAL 444 Cb 0.50 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3iaq h VAL 444 CO 0.03 0.11 0.32 1.56 0.02 0.00 0.00 177.57 179.60 3iaq h GLN 445 N 0.58 0.22 0.14 1.57 4.20 -1.46 -1.22 115.11 119.15 3iaq h GLN 445 Ca 0.18 -0.01 -0.32 0.00 0.06 0.00 0.00 58.65 58.56 3iaq h GLN 445 Cb -0.01 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.72 3iaq h GLN 445 CO -0.07 0.15 -1.56 -0.09 -0.67 0.00 0.00 178.83 176.59 3iaq h ARG 446 N 0.23 0.30 -0.01 1.46 2.43 -1.07 -2.64 114.38 115.09 3iaq h ARG 446 Ca 0.21 -0.52 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 3iaq h ARG 446 Cb 0.54 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 3iaq h ARG 446 CO -0.04 1.18 -0.03 -0.25 -1.51 0.00 0.00 179.97 179.33 3iaq n ASP 447 N -3.50 1.31 0.30 -3.80 8.00 -0.35 -4.35 116.55 114.15 3iaq n ASP 447 Ca -0.18 -1.15 0.19 0.00 0.71 0.00 0.00 54.79 54.36 3iaq n ASP 447 Cb 1.05 0.12 0.94 0.00 -0.02 0.00 0.00 41.12 43.22 3iaq n ASP 447 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 3iaq h ARG 448 N 0.95 0.00 -0.00 -1.24 0.11 -1.46 -2.27 114.38 110.47 3iaq h ARG 448 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3iaq h ARG 448 Cb 0.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.30 3iaq h ARG 448 CO 0.00 0.03 -0.16 0.09 0.10 0.00 0.00 179.97 180.03 3iaq n ASN 449 N -3.25 0.32 -4.67 0.08 3.02 -1.26 -4.85 115.26 104.66 3iaq n ASN 449 Ca -0.02 -0.18 -0.43 0.00 -0.03 0.00 0.00 54.58 53.92 3iaq n ASN 449 Cb 0.18 -0.13 -0.02 0.00 -0.61 0.00 0.00 39.78 39.19 3iaq n ASN 449 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3iaq s HIS 450 N -2.74 3.37 0.38 3.10 3.76 -0.85 -4.85 115.29 117.45 3iaq s HIS 450 Ca 0.21 1.48 0.28 0.00 -0.15 0.00 0.00 55.06 56.88 3iaq s HIS 450 Cb 0.19 -3.26 1.43 0.00 1.11 0.00 0.00 32.58 32.06 3iaq s HIS 450 CO 0.54 -0.47 2.05 -1.00 -0.85 0.00 0.00 174.74 175.01 3iaq h PRO 451 N 7.38 0.00 -0.46 8.40 0.13 -1.87 -3.00 132.00 142.58 3iaq h PRO 451 Ca -0.23 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.80 3iaq h PRO 451 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 3iaq h PRO 451 CO 0.94 0.12 -0.12 0.66 -0.23 0.00 0.00 178.00 179.37 3iaq h SER 452 N 0.00 0.83 -2.65 1.44 4.64 -1.87 -3.41 113.55 112.53 3iaq h SER 452 Ca -0.00 -0.26 -0.56 0.00 -0.47 0.00 0.00 61.79 60.50 3iaq h SER 452 Cb 0.38 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.21 3iaq h SER 452 CO 0.02 0.97 1.25 -0.69 -0.87 0.00 0.00 176.83 177.51 3iaq s VAL 453 N -4.79 3.53 -0.06 0.95 1.01 -1.14 -0.82 120.40 119.09 3iaq s VAL 453 Ca -0.10 0.51 0.16 0.00 0.00 0.00 0.00 61.98 62.56 3iaq s VAL 453 Cb 0.14 -3.81 -0.25 0.00 0.00 0.00 0.00 36.38 32.46 3iaq s VAL 453 CO 0.83 -0.57 0.37 2.30 0.00 0.00 0.00 175.10 178.04 3iaq n ILE 454 N 7.31 0.00 -3.74 2.22 -5.35 -0.53 -4.93 119.36 114.34 3iaq n ILE 454 Ca 0.21 -0.36 -0.16 0.00 -0.27 0.00 0.00 62.75 62.17 3iaq n ILE 454 Cb 0.48 0.17 -0.16 0.00 -1.74 0.00 0.00 39.64 38.39 3iaq n ILE 454 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3iaq s ILE 455 N -3.10 -0.08 0.16 7.28 1.01 -1.19 -3.93 121.20 121.36 3iaq s ILE 455 Ca -0.05 0.26 -0.22 0.00 0.00 0.00 0.00 60.65 60.64 3iaq s ILE 455 Cb 0.10 -0.13 -0.08 0.00 0.01 0.00 0.00 42.46 42.37 3iaq s ILE 455 CO 0.68 0.11 0.71 0.26 0.00 0.00 0.00 174.94 176.69 3iaq s TRP 456 N 1.35 3.80 -0.06 3.97 0.52 -0.69 -1.59 118.94 126.24 3iaq s TRP 456 Ca -0.06 1.47 0.05 0.00 0.02 0.00 0.00 56.10 57.58 3iaq s TRP 456 Cb -0.13 -2.65 -0.00 0.00 -1.15 0.00 0.00 33.47 29.54 3iaq s TRP 456 CO -0.04 0.47 -0.21 0.45 0.02 0.00 0.00 176.95 177.65 3iaq s SER 457 N -1.32 2.58 0.00 2.95 0.15 0.15 -1.07 113.70 117.15 3iaq s SER 457 Ca 0.37 -0.43 0.10 0.00 0.70 0.00 0.00 55.95 56.68 3iaq s SER 457 Cb -0.20 -0.79 0.59 0.00 -1.71 0.00 0.00 66.02 63.91 3iaq s SER 457 CO 0.23 0.18 1.27 0.18 1.20 0.00 0.00 173.24 176.30 3iaq n LEU 458 N 3.14 0.00 0.00 3.45 4.77 -0.98 -1.80 117.00 125.59 3iaq n LEU 458 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 3iaq n LEU 458 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3iaq n LEU 458 CO 0.25 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 3iaq n GLY 459 N 0.49 0.35 3.52 -0.72 0.00 -1.26 -4.72 105.19 102.85 3iaq n GLY 459 Ca 0.07 -2.04 -0.13 0.00 0.00 0.00 0.00 46.02 43.92 3iaq n GLY 459 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3iaq s ASN 460 N -4.00 -0.66 -1.13 1.61 2.47 -0.77 -4.73 114.94 107.73 3iaq s ASN 460 Ca 0.00 1.25 -0.26 0.00 0.42 0.00 0.00 52.86 54.28 3iaq s ASN 460 Cb 0.00 1.26 0.02 0.00 -1.45 0.00 0.00 41.25 41.08 3iaq s ASN 460 CO 0.00 -0.22 0.71 -0.62 -3.72 0.00 0.00 177.10 173.26 3iaq n GLU 461 N 2.86 -0.71 -1.09 0.43 1.02 -1.26 -4.08 120.64 117.80 3iaq n GLU 461 Ca -0.14 0.31 0.05 0.00 -0.02 0.00 0.00 57.16 57.35 3iaq n GLU 461 Cb 0.56 -3.07 0.10 0.00 -0.02 0.00 0.00 31.44 29.01 3iaq n GLU 461 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3iaq n SER 462 N -2.36 1.27 0.00 1.62 7.64 -1.26 -1.90 113.62 118.63 3iaq n SER 462 Ca -0.13 -2.76 0.00 0.00 1.01 0.00 0.00 58.87 56.99 3iaq n SER 462 Cb 0.58 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 3iaq n SER 462 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iaq n GLY 463 N -0.18 1.17 2.67 0.23 0.00 -1.23 -3.84 105.19 104.00 3iaq n GLY 463 Ca 0.11 -0.58 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 3iaq n GLY 463 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3iaq s HIS 464 N 0.00 0.15 0.29 1.61 2.46 -1.26 -3.13 115.29 115.41 3iaq s HIS 464 Ca 0.00 0.08 0.05 0.00 0.47 0.00 0.00 55.06 55.66 3iaq s HIS 464 Cb 0.00 -0.56 -0.06 0.00 -0.13 0.00 0.00 32.58 31.83 3iaq s HIS 464 CO 0.00 -0.28 -0.00 0.20 -2.47 0.00 0.00 174.74 172.19 3iaq s GLY 465 N 2.14 1.86 0.26 1.59 0.00 -1.26 -4.82 107.32 107.10 3iaq s GLY 465 Ca 0.04 -1.93 -0.03 0.00 0.00 0.00 0.00 44.72 42.80 3iaq s GLY 465 CO -0.05 -1.79 1.66 0.00 0.00 0.00 0.00 173.10 172.92 3iaq h ALA 466 N 2.26 1.05 -1.00 3.20 0.00 -1.80 -0.10 119.26 122.86 3iaq h ALA 466 Ca -0.40 0.21 0.20 0.00 0.00 0.00 0.00 54.91 54.92 3iaq h ALA 466 Cb 1.23 0.30 -0.10 0.00 0.00 0.00 0.00 17.79 19.22 3iaq h ALA 466 CO 0.68 -0.40 0.61 -0.91 0.00 0.00 0.00 179.25 179.23 3iaq h ASN 467 N 0.21 0.73 -0.41 0.00 2.35 -1.75 -0.49 115.58 116.22 3iaq h ASN 467 Ca 0.47 0.09 0.01 0.00 -0.55 0.00 0.00 56.30 56.33 3iaq h ASN 467 Cb 0.87 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.18 3iaq h ASN 467 CO -0.60 0.25 0.26 0.45 -1.65 0.00 0.00 177.43 176.13 3iaq h HIS 468 N 0.70 0.48 -0.42 1.19 3.86 -1.17 -0.78 115.15 119.01 3iaq h HIS 468 Ca 0.58 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.78 3iaq h HIS 468 Cb 0.98 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 29.27 3iaq h HIS 468 CO -0.00 0.29 0.17 -0.44 0.86 0.00 0.00 177.93 178.80 3iaq h ASP 469 N 0.52 0.58 -0.54 2.45 3.32 -1.07 0.20 116.42 121.89 3iaq h ASP 469 Ca 0.16 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3iaq h ASP 469 Cb -0.02 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 3iaq h ASP 469 CO -0.06 0.59 0.34 0.00 -1.72 0.00 0.00 179.24 178.40 3iaq h ALA 470 N 1.01 0.68 -0.01 3.45 0.00 -1.08 -2.03 119.26 121.28 3iaq h ALA 470 Ca 0.14 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 3iaq h ALA 470 Cb 0.19 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3iaq h ALA 470 CO -0.01 0.14 -0.77 -0.07 0.00 0.00 0.00 179.25 178.54 3iaq h LEU 471 N 0.72 0.11 0.08 0.00 3.38 -1.00 -1.98 115.31 116.63 3iaq h LEU 471 Ca 0.19 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.10 3iaq h LEU 471 Cb -0.05 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3iaq h LEU 471 CO -0.04 0.84 -0.28 0.22 0.09 0.00 0.00 178.44 179.27 3iaq h TYR 472 N 0.06 -0.75 -0.31 1.13 3.20 -0.46 -2.99 116.97 116.85 3iaq h TYR 472 Ca -0.02 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.89 3iaq h TYR 472 Cb 1.36 0.32 -0.03 0.00 1.54 0.00 0.00 36.73 39.92 3iaq h TYR 472 CO 0.01 -0.38 0.16 -0.09 -1.64 0.00 0.00 178.16 176.22 3iaq h ARG 473 N -0.47 0.32 -0.81 1.82 9.65 -1.24 -2.28 114.38 121.36 3iaq h ARG 473 Ca 0.04 -0.02 0.18 0.00 -1.10 0.00 0.00 59.98 59.08 3iaq h ARG 473 Cb 0.52 -0.07 -0.11 0.00 -1.39 0.00 0.00 29.97 28.91 3iaq h ARG 473 CO -0.19 0.21 0.30 2.35 2.80 0.00 0.00 179.97 185.45 3iaq h TRP 474 N 0.32 0.50 -0.16 2.20 7.01 -1.31 0.13 115.95 124.64 3iaq h TRP 474 Ca 0.13 0.04 -0.10 0.00 2.11 0.00 0.00 58.89 61.07 3iaq h TRP 474 Cb 0.04 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 27.01 3iaq h TRP 474 CO -0.10 -0.02 -0.31 0.82 -2.79 0.00 0.00 178.44 176.04 3iaq h ILE 475 N 0.38 1.35 -0.44 2.65 2.04 -1.34 -0.24 117.51 121.92 3iaq h ILE 475 Ca 0.48 -1.56 0.07 0.00 1.00 0.00 0.00 64.86 64.84 3iaq h ILE 475 Cb 0.82 1.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.84 3iaq h ILE 475 CO -0.49 0.47 0.30 0.11 0.00 0.00 0.00 178.15 178.54 3iaq h LYS 476 N 0.12 0.30 0.01 2.37 1.79 -0.76 0.52 116.57 120.92 3iaq h LYS 476 Ca 0.01 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3iaq h LYS 476 Cb 0.90 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 3iaq h LYS 476 CO 0.07 0.20 -0.01 1.03 -1.08 0.00 0.00 179.45 179.66 3iaq h SER 477 N 0.31 -0.02 0.78 0.86 0.87 -0.68 -3.32 113.55 112.35 3iaq h SER 477 Ca 0.19 -0.71 -0.17 0.00 -1.23 0.00 0.00 61.79 59.88 3iaq h SER 477 Cb 0.38 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 3iaq h SER 477 CO -0.04 0.72 -0.81 0.58 -0.53 0.00 0.00 176.83 176.75 3iaq h VAL 478 N -0.77 1.57 -2.26 2.23 2.07 -0.46 -3.41 116.25 115.23 3iaq h VAL 478 Ca -0.00 -2.73 -0.50 0.00 0.82 0.00 0.00 66.70 64.29 3iaq h VAL 478 Cb 0.72 2.48 -0.35 0.00 -1.52 0.00 0.00 31.29 32.61 3iaq h VAL 478 CO 0.00 0.78 -0.82 -0.62 0.02 0.00 0.00 177.57 176.93 3iaq s ASP 479 N -6.80 1.80 0.07 0.57 2.15 0.18 -4.98 116.67 109.66 3iaq s ASP 479 Ca -0.00 -2.23 0.17 0.00 0.43 0.00 0.00 52.55 50.92 3iaq s ASP 479 Cb 0.11 -0.01 0.73 0.00 -0.30 0.00 0.00 42.92 43.45 3iaq s ASP 479 CO 0.79 -0.24 1.54 -2.65 -0.17 0.00 0.00 175.17 174.44 3iaq n PRO 480 N 3.71 0.06 0.23 4.34 -0.02 -1.25 -3.45 135.00 138.63 3iaq n PRO 480 Ca 0.17 0.30 0.08 0.00 -2.02 0.00 0.00 63.50 62.03 3iaq n PRO 480 Cb 0.43 -1.61 0.58 0.00 -0.02 0.00 0.00 33.50 32.88 3iaq n PRO 480 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3iaq h SER 481 N 0.00 0.00 -3.73 2.55 4.64 -1.92 -3.44 113.55 111.66 3iaq h SER 481 Ca 0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 3iaq h SER 481 Cb 0.29 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.06 3iaq h SER 481 CO 0.00 0.19 -0.85 -0.13 -0.87 0.00 0.00 176.83 175.17 3iaq s ARG 482 N -4.30 2.14 0.63 4.77 0.52 -1.22 -4.14 118.95 117.34 3iaq s ARG 482 Ca -0.03 -0.68 -0.18 0.00 -0.52 0.00 0.00 55.73 54.32 3iaq s ARG 482 Cb 0.14 -1.77 -0.02 0.00 0.52 0.00 0.00 34.95 33.82 3iaq s ARG 482 CO 0.65 0.22 1.28 -2.14 0.02 0.00 0.00 175.30 175.32 3iaq s PRO 483 N 0.17 2.69 -0.15 3.54 0.02 -1.25 -4.77 135.00 135.24 3iaq s PRO 483 Ca -0.09 2.02 -0.02 0.00 0.02 0.00 0.00 61.00 62.93 3iaq s PRO 483 Cb -0.14 -1.89 -0.02 0.00 0.02 0.00 0.00 34.50 32.48 3iaq s PRO 483 CO 0.04 -1.48 -0.09 0.08 -0.33 0.00 0.00 177.00 175.22 3iaq s VAL 484 N -1.43 3.32 0.27 3.83 1.01 -1.26 -1.70 120.40 124.44 3iaq s VAL 484 Ca 0.81 -0.55 0.10 0.00 0.00 0.00 0.00 61.98 62.33 3iaq s VAL 484 Cb -0.36 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 3iaq s VAL 484 CO 0.38 0.50 -0.15 0.00 0.00 0.00 0.00 175.10 175.83 3iaq s GLN 485 N 0.56 1.61 -0.29 2.72 -2.07 -0.23 -0.07 119.66 121.90 3iaq s GLN 485 Ca -0.06 -1.76 -0.20 0.00 -1.82 0.00 0.00 55.36 51.52 3iaq s GLN 485 Cb -0.15 -1.55 0.14 0.00 -1.09 0.00 0.00 33.01 30.36 3iaq s GLN 485 CO 0.03 0.23 1.05 -0.47 -1.32 0.00 0.00 175.29 174.82 3iaq s TYR 486 N -2.68 -0.46 -0.05 9.60 5.04 -1.26 -2.31 117.35 125.23 3iaq s TYR 486 Ca 0.29 1.00 0.13 0.00 -2.44 0.00 0.00 57.07 56.05 3iaq s TYR 486 Cb -0.02 0.35 -0.20 0.00 0.35 0.00 0.00 41.96 42.44 3iaq s TYR 486 CO 0.13 -0.23 0.77 1.49 -1.34 0.00 0.00 175.55 176.37 3iaq h GLU 487 N 5.05 0.00 -7.00 4.97 4.22 -1.85 -3.42 114.58 116.54 3iaq h GLU 487 Ca -0.28 0.00 -0.56 0.00 0.08 0.00 0.00 59.36 58.60 3iaq h GLU 487 Cb 1.19 0.00 0.15 0.00 0.50 0.00 0.00 28.75 30.58 3iaq h GLU 487 CO 0.16 0.48 0.48 0.41 -2.18 0.00 0.00 179.01 178.36 3iaq n GLY 488 N 1.49 0.48 2.17 1.92 0.00 -1.26 -0.13 105.19 109.87 3iaq n GLY 488 Ca -0.13 -0.05 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 3iaq n GLY 488 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iaq n GLY 489 N 0.91 0.81 0.00 -0.02 0.00 -1.18 -3.96 105.19 101.74 3iaq n GLY 489 Ca 0.12 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.37 3iaq n GLY 489 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iaq n GLY 490 N -2.27 1.31 3.17 -0.02 0.00 -1.22 -4.74 105.19 101.42 3iaq n GLY 490 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3iaq n GLY 490 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iaq n ALA 491 N -0.03 0.00 -2.06 4.61 0.00 0.82 -4.61 120.51 119.23 3iaq n ALA 491 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3iaq n ALA 491 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3iaq n ALA 491 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3iaq n ASP 492 N -0.70 0.10 -3.73 0.00 5.68 -1.26 -2.76 116.55 113.88 3iaq n ASP 492 Ca 0.00 -1.84 -0.30 0.00 -0.50 0.00 0.00 54.79 52.15 3iaq n ASP 492 Cb 0.35 -0.16 0.26 0.00 -1.14 0.00 0.00 41.12 40.42 3iaq n ASP 492 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3iaq s THR 493 N 0.00 1.49 -2.00 2.12 -4.23 -1.26 -4.87 115.64 106.88 3iaq s THR 493 Ca 0.04 0.00 0.11 0.00 -1.18 0.00 0.00 61.69 60.66 3iaq s THR 493 Cb 0.05 -2.32 0.30 0.00 1.34 0.00 0.00 72.50 71.87 3iaq s THR 493 CO -0.02 0.00 1.21 0.35 -0.54 0.00 0.00 174.62 175.62 3iaq n THR 494 N -5.07 0.00 -0.55 3.99 -2.24 -1.26 -3.09 114.28 106.06 3iaq n THR 494 Ca 0.12 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.00 3iaq n THR 494 Cb 0.59 -0.35 0.34 0.00 -2.10 0.00 0.00 70.33 68.81 3iaq n THR 494 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iaq n ALA 495 N -0.73 2.85 -3.40 6.98 0.00 -1.26 -4.94 120.51 120.02 3iaq n ALA 495 Ca 0.08 -1.52 -0.13 0.00 0.00 0.00 0.00 53.44 51.87 3iaq n ALA 495 Cb 0.04 -0.96 -0.14 0.00 0.00 0.00 0.00 19.45 18.39 3iaq n ALA 495 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3iaq s THR 496 N -1.60 -0.03 -0.75 0.00 -1.32 -1.18 -4.01 115.64 106.75 3iaq s THR 496 Ca 0.50 0.09 0.26 0.00 -1.21 0.00 0.00 61.69 61.33 3iaq s THR 496 Cb 0.30 -0.22 0.21 0.00 -1.51 0.00 0.00 72.50 71.28 3iaq s THR 496 CO 0.27 0.04 1.65 0.47 -2.21 0.00 0.00 174.62 174.84 3iaq n ASP 497 N 3.64 0.68 -4.08 8.08 8.00 0.90 -4.82 116.55 128.96 3iaq n ASP 497 Ca -0.20 0.41 -0.23 0.00 0.71 0.00 0.00 54.79 55.48 3iaq n ASP 497 Cb 0.55 -0.46 -0.16 0.00 -0.02 0.00 0.00 41.12 41.04 3iaq n ASP 497 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3iaq s ILE 498 N -3.10 1.14 -0.23 0.53 1.01 -1.26 -4.51 121.20 114.77 3iaq s ILE 498 Ca 0.10 -0.56 -0.29 0.00 0.00 0.00 0.00 60.65 59.90 3iaq s ILE 498 Cb 0.14 -0.99 -0.02 0.00 0.01 0.00 0.00 42.46 41.60 3iaq s ILE 498 CO 0.63 0.34 1.49 -0.63 0.00 0.00 0.00 174.94 176.77 3iaq s ILE 499 N 0.07 3.87 -0.44 2.92 1.01 0.42 -4.67 121.20 124.38 3iaq s ILE 499 Ca -0.03 1.00 0.10 0.00 0.00 0.00 0.00 60.65 61.72 3iaq s ILE 499 Cb -0.10 -3.85 0.34 0.00 0.01 0.00 0.00 42.46 38.86 3iaq s ILE 499 CO 0.01 -0.31 0.78 0.00 0.00 0.00 0.00 174.94 175.42 3iaq s PRO 501 N -2.67 2.50 -0.27 0.00 0.04 -1.26 -3.84 135.00 129.49 3iaq s PRO 501 Ca 0.42 1.25 -0.08 0.00 0.04 0.00 0.00 61.00 62.63 3iaq s PRO 501 Cb 0.31 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.91 3iaq s PRO 501 CO -0.10 -1.47 0.11 0.00 0.04 0.00 0.00 177.00 175.58 3iaq s MET 502 N -4.59 3.52 -0.80 4.56 0.23 -1.26 -2.34 119.30 118.63 3iaq s MET 502 Ca 0.63 -0.58 0.00 0.00 -1.03 0.00 0.00 55.69 54.72 3iaq s MET 502 Cb -0.18 -3.43 0.00 0.00 -1.53 0.00 0.00 34.83 29.69 3iaq s MET 502 CO 0.50 -0.28 0.00 0.66 -2.03 0.00 0.00 175.02 173.87 3iaq n TYR 503 N 4.95 0.00 -1.85 3.16 4.01 0.45 -4.98 117.16 122.89 3iaq n TYR 503 Ca -0.15 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.18 3iaq n TYR 503 Cb 0.50 -1.65 -0.01 0.00 -0.31 0.00 0.00 39.34 37.88 3iaq n TYR 503 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3iaq s ALA 504 N -2.20 3.61 0.55 -0.72 0.00 -1.26 -4.81 121.76 116.92 3iaq s ALA 504 Ca 0.00 1.52 -0.02 0.00 0.00 0.00 0.00 51.96 53.46 3iaq s ALA 504 Cb 0.00 -3.60 0.02 0.00 0.00 0.00 0.00 23.12 19.54 3iaq s ALA 504 CO 0.00 -0.97 0.81 1.03 0.00 0.00 0.00 175.76 176.63 3iaq s ARG 505 N -1.61 2.80 -0.00 0.00 0.52 -1.26 -4.85 118.95 114.55 3iaq s ARG 505 Ca 0.55 -0.36 -0.23 0.00 -0.52 0.00 0.00 55.73 55.17 3iaq s ARG 505 Cb -0.46 -2.40 -0.14 0.00 0.52 0.00 0.00 34.95 32.47 3iaq s ARG 505 CO 0.57 -0.63 1.03 0.28 0.02 0.00 0.00 175.30 176.58 3iaq h VAL 506 N 0.01 0.33 0.00 3.52 2.07 -1.94 -2.00 116.25 118.24 3iaq h VAL 506 Ca -0.45 -0.54 -0.18 0.00 0.82 0.00 0.00 66.70 66.35 3iaq h VAL 506 Cb 1.27 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 3iaq h VAL 506 CO 0.58 0.06 -1.69 0.47 0.02 0.00 0.00 177.57 177.01 3iaq n ASP 507 N -5.21 2.49 -4.70 0.57 8.00 -1.26 -3.44 116.55 113.00 3iaq n ASP 507 Ca -0.10 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.00 3iaq n ASP 507 Cb 0.29 0.78 -0.04 0.00 -0.02 0.00 0.00 41.12 42.13 3iaq n ASP 507 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3iaq s GLU 508 N -2.27 4.41 0.27 -1.24 2.12 -1.26 -4.71 118.70 116.03 3iaq s GLU 508 Ca -0.05 1.03 -0.23 0.00 0.36 0.00 0.00 54.97 56.07 3iaq s GLU 508 Cb 0.03 -3.49 -0.09 0.00 0.26 0.00 0.00 34.13 30.84 3iaq s GLU 508 CO 0.42 -0.09 0.84 -0.51 -0.54 0.00 0.00 175.26 175.37 3iaq s ASP 509 N 0.96 7.22 -0.60 -1.70 1.01 -1.26 -3.62 116.67 118.68 3iaq s ASP 509 Ca 0.40 1.64 0.04 0.00 0.71 0.00 0.00 52.55 55.35 3iaq s ASP 509 Cb -0.18 -2.51 0.16 0.00 1.01 0.00 0.00 42.92 41.40 3iaq s ASP 509 CO 0.18 -0.01 0.40 -1.10 0.21 0.00 0.00 175.17 174.84 3iaq s GLN 510 N -1.99 2.04 -1.18 8.23 -0.21 -0.62 -4.93 119.66 121.00 3iaq s GLN 510 Ca 0.46 -2.89 -0.07 0.00 0.02 0.00 0.00 55.36 52.88 3iaq s GLN 510 Cb -0.18 -3.04 -0.07 0.00 1.00 0.00 0.00 33.01 30.72 3iaq s GLN 510 CO 0.23 -1.24 2.44 -0.35 -2.12 0.00 0.00 175.29 174.24 3iaq n PRO 511 N 2.50 2.70 -1.65 2.91 -0.04 -1.26 -1.88 135.00 138.29 3iaq n PRO 511 Ca 0.16 -1.73 -0.39 0.00 -0.04 0.00 0.00 63.50 61.50 3iaq n PRO 511 Cb 0.36 -2.58 0.04 0.00 -0.04 0.00 0.00 33.50 31.28 3iaq n PRO 511 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3iaq n PHE 512 N 3.95 1.30 -2.00 0.54 3.72 -1.26 -4.88 117.46 118.83 3iaq n PHE 512 Ca 0.57 0.46 -0.41 0.00 -0.05 0.00 0.00 57.45 58.02 3iaq n PHE 512 Cb 0.17 -2.22 -0.02 0.00 -0.94 0.00 0.00 39.48 36.47 3iaq n PHE 512 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3iaq s PRO 513 N -2.61 4.26 0.00 -1.08 0.04 -1.26 -2.92 135.00 131.43 3iaq s PRO 513 Ca 0.72 2.32 0.00 0.00 0.04 0.00 0.00 61.00 64.08 3iaq s PRO 513 Cb -0.45 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 30.99 3iaq s PRO 513 CO 0.50 -0.42 0.00 0.00 0.04 0.00 0.00 177.00 177.12 3iaq n ALA 514 N 2.13 0.00 -2.96 8.56 0.00 -1.26 -4.58 120.51 122.39 3iaq n ALA 514 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.24 3iaq n ALA 514 Cb 0.40 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.81 3iaq n ALA 514 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3iaq n VAL 515 N 0.00 2.74 -2.00 0.00 0.24 -1.24 -4.86 118.33 113.21 3iaq n VAL 515 Ca 0.00 -5.48 -0.37 0.00 -2.04 0.00 0.00 64.34 56.45 3iaq n VAL 515 Cb 0.00 -1.28 0.03 0.00 -1.47 0.00 0.00 33.84 31.12 3iaq n VAL 515 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3iaq s PRO 516 N -3.37 3.14 -0.78 7.34 0.04 -1.15 -4.61 135.00 135.61 3iaq s PRO 516 Ca 0.48 1.91 -0.09 0.00 0.04 0.00 0.00 61.00 63.34 3iaq s PRO 516 Cb 0.29 -2.08 0.20 0.00 0.04 0.00 0.00 34.50 32.95 3iaq s PRO 516 CO -0.13 -1.10 0.68 0.15 0.04 0.00 0.00 177.00 176.64 3iaq s LYS 517 N -3.12 3.28 0.76 4.56 1.02 -0.79 -4.89 119.74 120.56 3iaq s LYS 517 Ca 0.74 -2.59 -0.12 0.00 0.02 0.00 0.00 55.97 54.02 3iaq s LYS 517 Cb -0.32 -4.18 0.05 0.00 -0.52 0.00 0.00 37.83 32.86 3iaq s LYS 517 CO 0.37 -1.25 1.12 -1.58 -0.92 0.00 0.00 175.35 173.09 3iaq s TRP 518 N -0.11 2.40 0.01 3.18 0.52 -1.26 -1.59 118.94 122.09 3iaq s TRP 518 Ca 0.19 1.59 -0.35 0.00 0.02 0.00 0.00 56.10 57.56 3iaq s TRP 518 Cb -0.13 -3.17 -0.13 0.00 -1.15 0.00 0.00 33.47 28.89 3iaq s TRP 518 CO -0.07 -2.00 1.69 0.45 0.02 0.00 0.00 176.95 177.04 3iaq n SER 519 N -3.24 3.02 -0.03 2.95 2.88 -1.24 -4.25 113.62 113.71 3iaq n SER 519 Ca 0.10 1.04 0.14 0.00 -1.33 0.00 0.00 58.87 58.82 3iaq n SER 519 Cb 0.52 -1.35 0.57 0.00 -0.75 0.00 0.00 64.21 63.20 3iaq n SER 519 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 3iaq h ILE 520 N 4.48 0.86 -0.23 2.46 3.07 -1.38 0.56 117.51 127.32 3iaq h ILE 520 Ca -0.47 -0.08 -0.10 0.00 1.55 0.00 0.00 64.86 65.76 3iaq h ILE 520 Cb 1.28 0.59 -0.00 0.00 -0.27 0.00 0.00 36.82 38.41 3iaq h ILE 520 CO 0.91 0.05 -0.24 0.11 -1.05 0.00 0.00 178.15 177.92 3iaq h LYS 521 N 0.25 0.57 -0.51 0.16 1.57 -1.84 -3.17 116.57 113.59 3iaq h LYS 521 Ca 0.24 -0.31 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 3iaq h LYS 521 Cb 0.63 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 3iaq h LYS 521 CO -0.05 0.90 -0.12 -0.22 -0.57 0.00 0.00 179.45 179.39 3iaq h LYS 522 N 0.27 0.96 -0.50 3.15 3.64 -1.39 -3.31 116.57 119.38 3iaq h LYS 522 Ca 0.03 -0.35 0.05 0.00 -1.27 0.00 0.00 60.65 59.12 3iaq h LYS 522 Cb 0.80 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.51 3iaq h LYS 522 CO 0.06 1.02 0.22 2.35 -2.27 0.00 0.00 179.45 180.83 3iaq h TRP 523 N 0.85 0.41 -0.89 1.91 2.91 0.05 -2.59 115.95 118.59 3iaq h TRP 523 Ca 0.13 0.02 0.13 0.00 1.13 0.00 0.00 58.89 60.31 3iaq h TRP 523 Cb 0.67 -0.11 -0.09 0.00 -0.51 0.00 0.00 29.16 29.12 3iaq h TRP 523 CO 0.04 0.18 0.51 -0.07 -1.03 0.00 0.00 178.44 178.07 3iaq h LEU 524 N 0.44 0.68 -2.85 0.65 3.38 -1.64 -2.66 115.31 113.32 3iaq h LEU 524 Ca 0.23 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3iaq h LEU 524 Cb 0.18 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3iaq h LEU 524 CO -0.19 0.33 0.00 -1.54 0.09 0.00 0.00 178.44 177.13 3iaq n SER 525 N -4.77 4.33 -4.66 -0.43 3.41 -0.99 -4.52 113.62 106.00 3iaq n SER 525 Ca 0.17 -2.32 -0.41 0.00 -0.26 0.00 0.00 58.87 56.05 3iaq n SER 525 Cb 0.39 -0.54 0.01 0.00 -0.26 0.00 0.00 64.21 63.81 3iaq n SER 525 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3iaq n LEU 526 N 1.18 3.36 -4.68 1.04 4.77 -1.00 -4.80 117.00 116.87 3iaq n LEU 526 Ca 0.24 1.09 -0.56 0.00 -0.03 0.00 0.00 56.01 56.76 3iaq n LEU 526 Cb 0.79 -1.43 -0.07 0.00 -2.33 0.00 0.00 43.42 40.37 3iaq n LEU 526 CO 0.21 -0.98 1.23 -2.65 -1.33 0.00 0.00 177.39 173.88 3iaq n PRO 527 N 0.15 1.21 0.00 3.23 -0.02 -1.26 -0.98 135.00 137.33 3iaq n PRO 527 Ca 0.08 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3iaq n PRO 527 Cb 0.39 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 3iaq n PRO 527 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iaq n GLY 528 N 3.80 3.22 3.74 -1.23 0.00 -1.26 -5.03 105.19 108.43 3iaq n GLY 528 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 3iaq n GLY 528 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3iaq s GLU 529 N -0.55 4.63 0.00 1.61 2.56 -0.16 -4.93 118.70 121.86 3iaq s GLU 529 Ca 0.00 1.68 0.00 0.00 0.00 0.00 0.00 54.97 56.65 3iaq s GLU 529 Cb 0.00 -3.28 0.00 0.00 2.00 0.00 0.00 34.13 32.85 3iaq s GLU 529 CO 0.00 0.14 0.00 0.25 -0.56 0.00 0.00 175.26 175.09 3iaq n THR 530 N 2.26 0.00 -1.15 -1.70 -2.24 -1.26 -4.78 114.28 105.41 3iaq n THR 530 Ca 0.02 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.47 3iaq n THR 530 Cb 0.46 -0.01 0.12 0.00 -2.10 0.00 0.00 70.33 68.80 3iaq n THR 530 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3iaq s ARG 531 N -1.24 1.77 0.68 -0.78 0.52 -1.26 -4.20 118.95 114.43 3iaq s ARG 531 Ca 0.00 1.57 -0.14 0.00 -0.52 0.00 0.00 55.73 56.65 3iaq s ARG 531 Cb 0.00 -1.81 0.01 0.00 0.52 0.00 0.00 34.95 33.67 3iaq s ARG 531 CO 0.00 -2.08 1.09 -1.25 0.02 0.00 0.00 175.30 173.09 3iaq s PRO 532 N -4.35 2.79 -0.21 3.54 0.04 -1.02 -4.80 135.00 130.98 3iaq s PRO 532 Ca 0.69 1.26 0.02 0.00 0.04 0.00 0.00 61.00 63.01 3iaq s PRO 532 Cb -0.24 -1.96 0.04 0.00 0.04 0.00 0.00 34.50 32.37 3iaq s PRO 532 CO 0.51 -1.24 -0.16 -1.17 0.04 0.00 0.00 177.00 174.98 3iaq s LEU 533 N -5.11 2.70 -0.19 -3.56 0.20 -0.04 -0.44 118.68 112.24 3iaq s LEU 533 Ca 0.64 -0.95 -0.02 0.00 0.69 0.00 0.00 54.13 54.49 3iaq s LEU 533 Cb -0.18 -1.52 0.05 0.00 -0.43 0.00 0.00 46.19 44.12 3iaq s LEU 533 CO 0.45 -0.08 0.00 -0.63 -0.29 0.00 0.00 176.35 175.81 3iaq s ILE 534 N 1.22 0.79 0.08 6.68 1.01 -0.23 -1.50 121.20 129.26 3iaq s ILE 534 Ca -0.01 -0.64 -0.31 0.00 0.00 0.00 0.00 60.65 59.70 3iaq s ILE 534 Cb -0.16 -1.17 -0.09 0.00 0.01 0.00 0.00 42.46 41.05 3iaq s ILE 534 CO -0.09 -0.10 1.69 -0.76 0.00 0.00 0.00 174.94 175.68 3iaq s LEU 535 N 1.75 4.37 0.32 2.97 1.02 -0.92 -4.15 118.68 124.04 3iaq s LEU 535 Ca -0.01 2.55 0.16 0.00 0.02 0.00 0.00 54.13 56.85 3iaq s LEU 535 Cb -0.17 -3.56 0.41 0.00 0.02 0.00 0.00 46.19 42.88 3iaq s LEU 535 CO -0.07 -0.91 1.60 0.00 0.02 0.00 0.00 176.35 176.99 3iaq s GLU 537 N -3.35 0.06 0.18 0.00 2.02 -1.24 -4.24 118.70 112.12 3iaq s GLU 537 Ca 0.01 0.29 -0.19 0.00 0.02 0.00 0.00 54.97 55.10 3iaq s GLU 537 Cb 0.10 -0.17 0.04 0.00 0.10 0.00 0.00 34.13 34.20 3iaq s GLU 537 CO 0.72 -0.15 0.55 1.52 0.02 0.00 0.00 175.26 177.92 3iaq s TYR 538 N 1.02 -0.27 -0.56 1.61 1.13 -0.88 -0.41 117.35 118.99 3iaq s TYR 538 Ca -0.08 -0.05 -0.17 0.00 -1.41 0.00 0.00 57.07 55.36 3iaq s TYR 538 Cb -0.11 0.46 0.02 0.00 -1.10 0.00 0.00 41.96 41.23 3iaq s TYR 538 CO -0.04 -0.90 0.64 0.00 -2.51 0.00 0.00 175.55 172.74 3iaq n ALA 539 N -0.35 -2.68 -1.92 9.51 0.00 -1.26 -1.64 120.51 122.17 3iaq n ALA 539 Ca -0.12 0.50 -0.41 0.00 0.00 0.00 0.00 53.44 53.40 3iaq n ALA 539 Cb 0.63 -2.45 -0.03 0.00 0.00 0.00 0.00 19.45 17.60 3iaq n ALA 539 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3iaq s HIS 540 N -2.43 1.62 -0.23 0.00 2.46 0.61 -3.86 115.29 113.47 3iaq s HIS 540 Ca 0.20 0.76 -0.04 0.00 0.47 0.00 0.00 55.06 56.45 3iaq s HIS 540 Cb -0.04 -4.04 -0.03 0.00 -0.13 0.00 0.00 32.58 28.34 3iaq s HIS 540 CO 0.82 -2.88 2.86 0.00 -2.47 0.00 0.00 174.74 173.07 3iaq n ALA 541 N 11.66 5.95 -2.62 1.58 0.00 0.19 -4.32 120.51 132.95 3iaq n ALA 541 Ca 0.25 -2.07 -0.42 0.00 0.00 0.00 0.00 53.44 51.19 3iaq n ALA 541 Cb 0.49 -1.96 -0.04 0.00 0.00 0.00 0.00 19.45 17.94 3iaq n ALA 541 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3iaq s MET 542 N -0.61 3.98 6.22 0.00 1.75 -1.26 -3.37 119.30 126.01 3iaq s MET 542 Ca 0.51 0.69 0.00 0.00 -1.25 0.00 0.00 55.69 55.64 3iaq s MET 542 Cb 0.30 -3.73 0.00 0.00 2.84 0.00 0.00 34.83 34.24 3iaq s MET 542 CO -0.09 -0.73 0.00 0.41 -0.65 0.00 0.00 175.02 173.97 3iaq n GLY 543 N 4.13 3.12 3.56 2.11 0.00 -1.26 -4.03 105.19 112.82 3iaq n GLY 543 Ca 0.05 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 3iaq n GLY 543 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3iaq s ASN 544 N -4.00 6.05 0.00 1.61 3.84 -1.26 -4.88 114.94 116.29 3iaq s ASN 544 Ca 0.00 -1.03 0.00 0.00 0.21 0.00 0.00 52.86 52.04 3iaq s ASN 544 Cb 0.00 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.14 3iaq s ASN 544 CO 0.00 -1.91 0.00 -0.24 -2.79 0.00 0.00 177.10 172.16 3iaq n SER 545 N 10.45 0.00 0.00 -4.21 2.88 -1.26 -4.75 113.62 116.73 3iaq n SER 545 Ca 0.30 -0.74 0.00 0.00 -1.33 0.00 0.00 58.87 57.10 3iaq n SER 545 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 3iaq n SER 545 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3iaq n LEU 546 N 0.00 -0.19 -4.71 2.46 7.94 -1.19 -4.77 117.00 116.54 3iaq n LEU 546 Ca 0.00 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.48 3iaq n LEU 546 Cb 0.00 -0.45 -0.03 0.00 0.53 0.00 0.00 43.42 43.47 3iaq n LEU 546 CO 0.00 0.00 0.94 -0.83 -1.11 0.00 0.00 177.39 176.39 3iaq s GLY 547 N -2.90 2.27 0.00 -3.96 0.00 -0.71 -3.04 107.32 98.98 3iaq s GLY 547 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 44.72 45.60 3iaq s GLY 547 CO 0.00 2.14 0.00 0.61 0.00 0.00 0.00 173.10 175.85 3iaq n GLY 548 N 3.31 0.73 0.21 0.20 0.00 0.60 -3.87 105.19 106.36 3iaq n GLY 548 Ca 0.10 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 3iaq n GLY 548 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3iaq h PHE 549 N 0.00 0.65 0.00 1.61 3.57 -1.71 -3.16 116.94 117.91 3iaq h PHE 549 Ca 0.00 -0.23 -0.04 0.00 3.53 0.00 0.00 57.97 61.23 3iaq h PHE 549 Cb 0.12 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 3iaq h PHE 549 CO 0.00 0.95 -0.20 0.00 -2.23 0.00 0.00 178.31 176.83 3iaq h ALA 550 N 1.00 1.43 -0.70 2.41 0.00 -1.87 -2.57 119.26 118.96 3iaq h ALA 550 Ca 0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3iaq h ALA 550 Cb 1.09 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3iaq h ALA 550 CO 0.10 0.25 0.27 -0.22 0.00 0.00 0.00 179.25 179.65 3iaq h LYS 551 N 0.00 1.05 0.01 0.00 3.64 -1.95 -1.74 116.57 117.58 3iaq h LYS 551 Ca -0.00 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.19 3iaq h LYS 551 Cb 0.42 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3iaq h LYS 551 CO 0.03 0.86 -0.00 1.88 -2.27 0.00 0.00 179.45 179.94 3iaq h TYR 552 N 1.02 -0.01 0.00 1.91 0.05 -1.58 -2.95 116.97 115.42 3iaq h TYR 552 Ca 0.23 -0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.94 3iaq h TYR 552 Cb 0.21 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 3iaq h TYR 552 CO 0.02 0.11 -0.37 -1.49 -1.05 0.00 0.00 178.16 175.38 3iaq h TRP 553 N -0.12 0.00 -0.29 4.88 4.06 -1.46 0.98 115.95 124.00 3iaq h TRP 553 Ca -0.00 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.87 3iaq h TRP 553 Cb 0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.27 3iaq h TRP 553 CO -0.04 0.37 -0.13 0.37 -3.56 0.00 0.00 178.44 175.45 3iaq h GLN 554 N 0.00 0.60 -0.60 0.49 -0.00 -1.37 -2.63 115.11 111.61 3iaq h GLN 554 Ca -0.00 -0.26 -0.09 0.00 -0.00 0.00 0.00 58.65 58.30 3iaq h GLN 554 Cb 0.90 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 28.34 3iaq h GLN 554 CO 0.05 0.83 0.03 0.00 0.00 0.00 0.00 178.83 179.74 3iaq h ALA 555 N 0.75 0.92 -0.60 3.38 0.00 -1.20 -1.70 119.26 120.82 3iaq h ALA 555 Ca 0.07 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3iaq h ALA 555 Cb 0.65 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3iaq h ALA 555 CO 0.04 0.65 0.25 0.74 0.00 0.00 0.00 179.25 180.93 3iaq h PHE 556 N 0.94 0.86 0.06 0.00 0.04 -0.82 -1.35 116.94 116.67 3iaq h PHE 556 Ca 0.17 -0.04 -0.24 0.00 2.80 0.00 0.00 57.97 60.66 3iaq h PHE 556 Cb 0.51 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 3iaq h PHE 556 CO 0.03 0.66 -1.08 0.00 -0.60 0.00 0.00 178.31 177.32 3iaq h ARG 557 N 0.85 0.20 0.04 1.51 3.08 -1.28 -3.33 114.38 115.45 3iaq h ARG 557 Ca 0.20 -0.30 -0.26 0.00 0.07 0.00 0.00 59.98 59.69 3iaq h ARG 557 Cb 0.15 0.11 0.02 0.00 0.08 0.00 0.00 29.97 30.33 3iaq h ARG 557 CO -0.02 1.10 -1.05 0.37 -1.07 0.00 0.00 179.97 179.30 3iaq h GLN 558 N 0.08 0.65 -4.64 0.04 4.15 -1.14 -3.43 115.11 110.82 3iaq h GLN 558 Ca -0.08 -0.74 -0.71 0.00 0.77 0.00 0.00 58.65 57.88 3iaq h GLN 558 Cb 1.79 0.22 -0.20 0.00 0.21 0.00 0.00 27.48 29.50 3iaq h GLN 558 CO 0.17 1.32 -0.35 0.71 -1.93 0.00 0.00 178.83 178.75 3iaq s TYR 559 N -3.20 3.21 0.20 3.99 1.51 -0.52 -4.98 117.35 117.56 3iaq s TYR 559 Ca -0.10 -0.50 -0.19 0.00 -1.01 0.00 0.00 57.07 55.27 3iaq s TYR 559 Cb 0.06 -2.69 0.18 0.00 -0.11 0.00 0.00 41.96 39.39 3iaq s TYR 559 CO 0.91 -0.62 1.58 -1.35 -1.11 0.00 0.00 175.55 174.96 3iaq h PRO 560 N 8.66 -0.10 0.00 -1.71 0.11 -1.84 -2.07 132.00 135.05 3iaq h PRO 560 Ca -0.27 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3iaq h PRO 560 Cb 1.12 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3iaq h PRO 560 CO 0.75 -0.06 0.00 0.54 -0.21 0.00 0.00 178.00 179.02 3iaq n ARG 561 N -5.45 0.06 -2.81 1.05 1.74 -1.26 -4.24 116.66 105.75 3iaq n ARG 561 Ca 0.07 0.12 -0.43 0.00 -0.77 0.00 0.00 57.85 56.84 3iaq n ARG 561 Cb 0.37 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.27 3iaq n ARG 561 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3iaq s LEU 562 N -2.91 4.01 -0.21 0.55 1.43 -0.78 -0.86 118.68 119.90 3iaq s LEU 562 Ca 0.12 -0.08 0.14 0.00 -1.03 0.00 0.00 54.13 53.28 3iaq s LEU 562 Cb 0.14 -3.04 0.48 0.00 0.03 0.00 0.00 46.19 43.80 3iaq s LEU 562 CO 0.38 -1.15 1.39 0.00 0.23 0.00 0.00 176.35 177.20 3iaq n GLN 563 N 7.36 2.21 0.00 1.70 6.02 -0.56 -4.67 117.38 129.44 3iaq n GLN 563 Ca 0.04 -2.95 0.00 0.00 -0.01 0.00 0.00 57.00 54.09 3iaq n GLN 563 Cb 0.48 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 29.97 3iaq n GLN 563 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iaq n GLY 564 N -0.91 0.14 3.97 1.08 0.00 -1.26 0.19 105.19 108.40 3iaq n GLY 564 Ca 0.25 -1.86 0.04 0.00 0.00 0.00 0.00 46.02 44.45 3iaq n GLY 564 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iaq n GLY 565 N 0.00 0.14 3.25 -0.02 0.00 -0.98 -2.16 105.19 105.41 3iaq n GLY 565 Ca 0.00 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 3iaq n GLY 565 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iaq s PHE 566 N -2.01 3.01 0.45 1.61 0.40 0.83 -1.49 117.98 120.77 3iaq s PHE 566 Ca 0.31 -1.28 -0.25 0.00 -0.60 0.00 0.00 56.93 55.11 3iaq s PHE 566 Cb -0.00 -2.08 -0.08 0.00 0.51 0.00 0.00 43.02 41.36 3iaq s PHE 566 CO -0.02 -0.66 1.42 0.08 0.70 0.00 0.00 175.22 176.74 3iaq s VAL 567 N 1.40 2.12 -0.33 -0.44 1.01 0.44 -2.07 120.40 122.51 3iaq s VAL 567 Ca 0.03 0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.05 3iaq s VAL 567 Cb -0.16 -3.06 0.03 0.00 0.00 0.00 0.00 36.38 33.20 3iaq s VAL 567 CO -0.04 0.01 0.10 0.86 0.00 0.00 0.00 175.10 176.03 3iaq s TRP 568 N -1.21 3.23 0.00 5.22 -0.11 -0.65 0.43 118.94 125.85 3iaq s TRP 568 Ca 0.61 -1.35 0.00 0.00 1.22 0.00 0.00 56.10 56.57 3iaq s TRP 568 Cb -0.43 -2.27 0.00 0.00 -1.50 0.00 0.00 33.47 29.27 3iaq s TRP 568 CO 0.56 -0.71 0.00 -0.40 -4.62 0.00 0.00 176.95 171.78 3iaq n ASP 569 N 4.82 0.00 0.16 5.86 5.75 0.41 -0.64 116.55 132.91 3iaq n ASP 569 Ca -0.13 -0.30 -0.07 0.00 -0.01 0.00 0.00 54.79 54.28 3iaq n ASP 569 Cb 0.45 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.51 3iaq n ASP 569 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 3iaq h TRP 570 N 0.30 -0.43 -4.22 2.11 -0.00 -1.14 -2.02 115.95 110.54 3iaq h TRP 570 Ca 0.00 -0.01 -0.51 0.00 -0.00 0.00 0.00 58.89 58.37 3iaq h TRP 570 Cb 0.00 0.14 -0.29 0.00 -0.00 0.00 0.00 29.16 29.01 3iaq h TRP 570 CO 0.00 -0.27 -0.82 0.54 -0.00 0.00 0.00 178.44 177.89 3iaq s VAL 571 N -3.13 1.21 0.15 2.65 0.11 -1.26 -0.70 120.40 119.43 3iaq s VAL 571 Ca -0.07 -0.65 -0.33 0.00 -2.93 0.00 0.00 61.98 58.00 3iaq s VAL 571 Cb 0.01 -1.01 -0.13 0.00 -1.53 0.00 0.00 36.38 33.71 3iaq s VAL 571 CO 0.20 0.34 1.65 0.47 -3.33 0.00 0.00 175.10 174.44 3iaq n ASP 572 N 2.74 3.36 -3.39 3.54 8.00 -0.50 -4.32 116.55 125.98 3iaq n ASP 572 Ca -0.15 1.06 -0.39 0.00 0.71 0.00 0.00 54.79 56.03 3iaq n ASP 572 Cb 0.55 -1.46 -0.01 0.00 -0.02 0.00 0.00 41.12 40.18 3iaq n ASP 572 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iaq n GLN 573 N 3.94 4.42 -4.11 -1.24 6.02 -0.77 -3.85 117.38 121.79 3iaq n GLN 573 Ca 0.17 -3.40 -0.35 0.00 -0.01 0.00 0.00 57.00 53.41 3iaq n GLN 573 Cb 0.31 -2.58 -0.08 0.00 1.02 0.00 0.00 30.24 28.91 3iaq n GLN 573 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3iaq s SER 574 N 0.30 5.72 0.00 1.08 1.04 -1.26 -4.73 113.70 115.86 3iaq s SER 574 Ca 0.54 0.23 -0.01 0.00 0.48 0.00 0.00 55.95 57.20 3iaq s SER 574 Cb 0.21 -1.80 -0.04 0.00 0.10 0.00 0.00 66.02 64.48 3iaq s SER 574 CO -0.11 0.33 0.12 -0.76 0.98 0.00 0.00 173.24 173.80 3iaq s LEU 575 N -0.59 4.04 0.07 2.42 1.43 -0.40 -4.26 118.68 121.39 3iaq s LEU 575 Ca 0.11 0.19 -0.31 0.00 -1.03 0.00 0.00 54.13 53.10 3iaq s LEU 575 Cb -0.12 -2.42 -0.07 0.00 0.03 0.00 0.00 46.19 43.62 3iaq s LEU 575 CO 0.02 0.26 1.34 -0.63 0.23 0.00 0.00 176.35 177.57 3iaq s ILE 576 N -1.26 3.62 0.44 -0.59 -1.09 -0.34 -0.26 121.20 121.71 3iaq s ILE 576 Ca 0.25 1.13 0.05 0.00 -2.23 0.00 0.00 60.65 59.84 3iaq s ILE 576 Cb -0.12 -3.72 -0.05 0.00 -1.58 0.00 0.00 42.46 36.98 3iaq s ILE 576 CO 0.17 0.06 0.02 -0.54 -1.23 0.00 0.00 174.94 173.41 3iaq s LYS 577 N 1.46 2.01 -0.02 2.79 1.02 -0.75 -4.92 119.74 121.34 3iaq s LYS 577 Ca 0.63 -2.20 0.02 0.00 0.02 0.00 0.00 55.97 54.44 3iaq s LYS 577 Cb -0.33 -1.51 0.01 0.00 -0.52 0.00 0.00 37.83 35.48 3iaq s LYS 577 CO 0.29 -0.18 -0.08 0.71 -0.92 0.00 0.00 175.35 175.17 3iaq s TYR 578 N -2.83 0.83 0.78 3.18 1.51 -1.26 -1.61 117.35 117.95 3iaq s TYR 578 Ca 0.25 -0.20 -0.08 0.00 -1.01 0.00 0.00 57.07 56.03 3iaq s TYR 578 Cb 0.07 -0.61 0.12 0.00 -0.11 0.00 0.00 41.96 41.43 3iaq s TYR 578 CO 0.13 -0.10 1.10 0.16 -1.11 0.00 0.00 175.55 175.73 3iaq s ASP 579 N 0.26 4.19 0.58 2.29 1.47 -1.02 -4.94 116.67 119.51 3iaq s ASP 579 Ca -0.04 0.18 0.29 0.00 1.18 0.00 0.00 52.55 54.16 3iaq s ASP 579 Cb -0.08 -0.58 1.77 0.00 -0.34 0.00 0.00 42.92 43.68 3iaq s ASP 579 CO 0.00 -2.00 2.24 1.05 0.68 0.00 0.00 175.17 177.14 3iaq h GLU 580 N -0.89 0.00 0.00 2.11 4.11 -2.02 -1.17 114.58 116.73 3iaq h GLU 580 Ca -0.42 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 58.93 3iaq h GLU 580 Cb 1.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 3iaq h GLU 580 CO 0.48 0.01 -0.35 -0.91 0.07 0.00 0.00 179.01 178.31 3iaq h ASN 581 N 0.00 0.00 0.00 3.06 2.35 -2.05 -3.47 115.58 115.47 3iaq h ASN 581 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3iaq h ASN 581 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 3iaq h ASN 581 CO 0.00 0.35 0.00 0.61 -1.65 0.00 0.00 177.43 176.74 3iaq n GLY 582 N 0.58 1.03 3.72 2.83 0.00 -0.44 -5.10 105.19 107.81 3iaq n GLY 582 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3iaq n GLY 582 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3iaq s ASN 583 N -1.96 7.11 0.30 1.61 0.01 -1.26 -4.81 114.94 115.95 3iaq s ASN 583 Ca 0.00 1.34 -0.28 0.00 -0.71 0.00 0.00 52.86 53.21 3iaq s ASN 583 Cb 0.00 -2.46 -0.09 0.00 0.41 0.00 0.00 41.25 39.11 3iaq s ASN 583 CO 0.00 -0.12 1.07 -2.16 -1.51 0.00 0.00 177.10 174.37 3iaq s PRO 584 N 0.68 4.55 -0.09 -0.60 0.04 -1.26 -2.42 135.00 135.90 3iaq s PRO 584 Ca 0.41 1.69 -0.09 0.00 0.04 0.00 0.00 61.00 63.05 3iaq s PRO 584 Cb -0.19 -3.04 0.02 0.00 0.04 0.00 0.00 34.50 31.33 3iaq s PRO 584 CO 0.21 0.16 0.26 1.67 0.04 0.00 0.00 177.00 179.34 3iaq s TRP 585 N -1.29 -0.27 -0.08 0.56 1.48 -0.64 -4.99 118.94 113.72 3iaq s TRP 585 Ca 0.47 0.66 -0.30 0.00 -1.06 0.00 0.00 56.10 55.87 3iaq s TRP 585 Cb -0.29 0.09 -0.05 0.00 -1.16 0.00 0.00 33.47 32.07 3iaq s TRP 585 CO 0.37 -0.15 1.62 -1.12 -4.06 0.00 0.00 176.95 173.61 3iaq s SER 586 N 0.05 6.64 0.09 -2.66 0.01 -1.26 -1.81 113.70 114.76 3iaq s SER 586 Ca -0.01 2.11 0.07 0.00 1.31 0.00 0.00 55.95 59.43 3iaq s SER 586 Cb -0.02 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 3iaq s SER 586 CO 0.01 -0.96 -0.11 0.00 0.41 0.00 0.00 173.24 172.58 3iaq s ALA 587 N 4.18 2.92 0.27 1.44 0.00 0.64 -4.92 121.76 126.27 3iaq s ALA 587 Ca 0.72 -1.23 0.04 0.00 0.00 0.00 0.00 51.96 51.48 3iaq s ALA 587 Cb -0.31 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 21.91 3iaq s ALA 587 CO 0.28 0.63 0.13 2.48 0.00 0.00 0.00 175.76 179.28 3iaq n TYR 588 N 0.84 -0.10 -1.68 0.00 0.18 -1.26 -1.27 117.16 113.88 3iaq n TYR 588 Ca -0.14 -1.85 -0.64 0.00 1.88 0.00 0.00 57.90 57.15 3iaq n TYR 588 Cb 0.52 0.06 -0.09 0.00 -0.38 0.00 0.00 39.34 39.45 3iaq n TYR 588 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3iaq n GLY 589 N -0.02 0.14 0.00 -7.48 0.00 -0.96 -1.26 105.19 95.60 3iaq n GLY 589 Ca -0.01 0.93 0.00 0.00 0.00 0.00 0.00 46.02 46.93 3iaq n GLY 589 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iaq n GLY 590 N 3.32 2.82 0.00 -0.02 0.00 -1.26 -3.94 105.19 106.11 3iaq n GLY 590 Ca 0.27 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.39 3iaq n GLY 590 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3iaq n ASP 591 N 0.00 0.00 -0.06 1.61 8.00 -0.39 -2.18 116.55 123.53 3iaq n ASP 591 Ca 0.00 -0.96 0.05 0.00 0.71 0.00 0.00 54.79 54.59 3iaq n ASP 591 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.17 3iaq n ASP 591 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3iaq n PHE 592 N -0.89 0.00 -0.93 1.24 3.01 -1.26 -4.94 117.46 113.68 3iaq n PHE 592 Ca 0.15 -0.68 0.00 0.00 1.01 0.00 0.00 57.45 57.93 3iaq n PHE 592 Cb 0.07 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 3iaq n PHE 592 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3iaq n GLY 593 N -0.88 0.96 3.69 1.37 0.00 -0.93 -4.80 105.19 104.60 3iaq n GLY 593 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3iaq n GLY 593 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3iaq s ASP 594 N -2.99 6.55 -0.26 1.61 -4.77 -1.26 -4.99 116.67 110.56 3iaq s ASP 594 Ca 0.00 2.55 -0.17 0.00 -3.30 0.00 0.00 52.55 51.63 3iaq s ASP 594 Cb 0.00 -2.56 0.07 0.00 -1.09 0.00 0.00 42.92 39.34 3iaq s ASP 594 CO 0.00 -0.93 0.64 0.28 0.70 0.00 0.00 175.17 175.86 3iaq s THR 595 N 2.87 -0.00 0.41 2.11 -1.32 -1.26 -3.98 115.64 114.47 3iaq s THR 595 Ca 0.77 0.01 -0.26 0.00 -1.21 0.00 0.00 61.69 61.00 3iaq s THR 595 Cb -0.41 -0.92 -0.09 0.00 -1.51 0.00 0.00 72.50 69.57 3iaq s THR 595 CO 0.34 0.01 1.27 -2.84 -2.21 0.00 0.00 174.62 171.19 3iaq s PRO 596 N 1.24 3.97 0.16 7.08 0.02 -1.26 -5.18 135.00 141.02 3iaq s PRO 596 Ca -0.07 2.09 0.07 0.00 0.02 0.00 0.00 61.00 63.11 3iaq s PRO 596 Cb -0.05 -2.73 -0.04 0.00 0.02 0.00 0.00 34.50 31.70 3iaq s PRO 596 CO -0.13 -0.47 -0.14 0.54 -0.33 0.00 0.00 177.00 176.46 3iaq s ASN 597 N -0.83 2.28 -0.63 2.53 2.20 -1.26 -4.68 114.94 114.55 3iaq s ASN 597 Ca 0.57 -0.92 0.01 0.00 -0.94 0.00 0.00 52.86 51.58 3iaq s ASN 597 Cb -0.37 -0.10 0.41 0.00 -2.00 0.00 0.00 41.25 39.20 3iaq s ASN 597 CO 0.47 -0.16 1.75 0.47 -2.94 0.00 0.00 177.10 176.69 3iaq n ASP 598 N 0.08 6.74 0.00 3.54 8.00 -1.06 -4.97 116.55 128.87 3iaq n ASP 598 Ca -0.12 -3.79 0.00 0.00 0.71 0.00 0.00 54.79 51.59 3iaq n ASP 598 Cb 0.59 -0.82 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 3iaq n ASP 598 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3iaq n ARG 599 N -0.69 0.00 -0.09 -1.24 1.85 -1.25 -1.74 116.66 113.49 3iaq n ARG 599 Ca 0.53 0.00 0.09 0.00 -1.00 0.00 0.00 57.85 57.47 3iaq n ARG 599 Cb 0.57 0.00 0.33 0.00 -1.05 0.00 0.00 32.46 32.32 3iaq n ARG 599 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3iaq n GLN 600 N 7.86 1.65 0.00 2.89 0.00 -1.26 -2.27 117.38 126.24 3iaq n GLN 600 Ca 0.00 -0.98 0.06 0.00 0.00 0.00 0.00 57.00 56.08 3iaq n GLN 600 Cb 0.00 -1.35 0.33 0.00 0.00 0.00 0.00 30.24 29.23 3iaq n GLN 600 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3iaq n PHE 601 N 0.23 0.00 0.91 2.61 3.72 -0.71 -2.06 117.46 122.15 3iaq n PHE 601 Ca 0.14 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.68 3iaq n PHE 601 Cb 0.28 -0.23 0.50 0.00 -0.94 0.00 0.00 39.48 39.09 3iaq n PHE 601 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3iaq s MET 603 N -3.03 2.43 -0.08 0.00 -1.94 -0.88 -1.84 119.30 113.97 3iaq s MET 603 Ca 0.12 -2.09 0.18 0.00 -1.71 0.00 0.00 55.69 52.19 3iaq s MET 603 Cb 0.17 -3.79 0.36 0.00 2.01 0.00 0.00 34.83 33.59 3iaq s MET 603 CO 0.58 -1.16 1.16 0.09 -0.01 0.00 0.00 175.02 175.69 3iaq n ASN 604 N 4.27 1.21 -4.88 3.03 5.03 -1.26 -4.07 115.26 118.59 3iaq n ASN 604 Ca 0.01 -2.68 -0.32 0.00 0.87 0.00 0.00 54.58 52.45 3iaq n ASN 604 Cb 0.40 -0.37 -0.05 0.00 -1.02 0.00 0.00 39.78 38.74 3iaq n ASN 604 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3iaq s GLY 605 N -2.34 2.27 0.26 7.41 0.00 -1.22 -0.45 107.32 113.25 3iaq s GLY 605 Ca 0.31 -0.39 0.24 0.00 0.00 0.00 0.00 44.72 44.88 3iaq s GLY 605 CO -0.10 -0.27 1.73 1.04 0.00 0.00 0.00 173.10 175.50 3iaq n LEU 606 N 0.02 0.72 -4.25 0.66 4.77 0.13 -4.66 117.00 114.39 3iaq n LEU 606 Ca -0.01 0.65 -0.17 0.00 -0.03 0.00 0.00 56.01 56.45 3iaq n LEU 606 Cb 0.52 -0.52 -0.11 0.00 -2.33 0.00 0.00 43.42 40.99 3iaq n LEU 606 CO 0.46 -0.48 -0.43 0.68 -1.33 0.00 0.00 177.39 176.29 3iaq s VAL 607 N -3.28 1.29 0.83 4.08 -7.23 -0.85 -0.86 120.40 114.39 3iaq s VAL 607 Ca 0.06 -1.86 -0.11 0.00 -1.81 0.00 0.00 61.98 58.26 3iaq s VAL 607 Cb 0.10 -1.65 0.09 0.00 0.56 0.00 0.00 36.38 35.47 3iaq s VAL 607 CO 0.44 -0.54 1.09 -0.36 -0.31 0.00 0.00 175.10 175.42 3iaq s PHE 608 N -2.58 2.53 0.55 2.82 0.08 -0.13 -1.41 117.98 119.84 3iaq s PHE 608 Ca 0.12 1.34 0.37 0.00 0.12 0.00 0.00 56.93 58.87 3iaq s PHE 608 Cb -0.02 -3.10 1.55 0.00 -0.57 0.00 0.00 43.02 40.87 3iaq s PHE 608 CO 0.02 -2.04 1.80 0.00 -0.10 0.00 0.00 175.22 174.91 3iaq h ALA 609 N -1.29 3.11 -0.39 5.36 0.00 -1.87 0.34 119.26 124.52 3iaq h ALA 609 Ca -0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3iaq h ALA 609 Cb 1.26 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3iaq h ALA 609 CO 0.55 -1.46 0.00 -0.40 0.00 0.00 0.00 179.25 177.93 3iaq n ASP 610 N -4.16 4.08 -1.43 0.00 5.75 -1.26 -4.41 116.55 115.13 3iaq n ASP 610 Ca 0.25 -2.59 -0.15 0.00 -0.01 0.00 0.00 54.79 52.29 3iaq n ASP 610 Cb 1.25 -0.61 -0.04 0.00 -1.03 0.00 0.00 41.12 40.69 3iaq n ASP 610 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3iaq n ARG 611 N 0.45 -1.14 -2.91 0.11 3.00 0.12 -5.00 116.66 111.30 3iaq n ARG 611 Ca 0.18 0.92 -0.40 0.00 -0.01 0.00 0.00 57.85 58.54 3iaq n ARG 611 Cb 0.86 -5.16 -0.04 0.00 0.00 0.00 0.00 32.46 28.12 3iaq n ARG 611 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3iaq s THR 612 N -2.66 4.82 0.32 0.55 2.01 -1.25 -4.84 115.64 114.59 3iaq s THR 612 Ca 0.00 1.73 -0.29 0.00 0.31 0.00 0.00 61.69 63.44 3iaq s THR 612 Cb 0.00 -4.17 -0.11 0.00 0.01 0.00 0.00 72.50 68.24 3iaq s THR 612 CO 0.00 0.28 1.45 -2.84 -0.69 0.00 0.00 174.62 172.82 3iaq s PRO 613 N 0.44 4.21 0.67 4.92 0.02 -1.26 -0.96 135.00 143.04 3iaq s PRO 613 Ca 0.42 2.42 -0.11 0.00 0.02 0.00 0.00 61.00 63.75 3iaq s PRO 613 Cb -0.20 -3.04 -0.01 0.00 0.02 0.00 0.00 34.50 31.27 3iaq s PRO 613 CO 0.24 -0.44 1.06 -1.01 -0.33 0.00 0.00 177.00 176.51 3iaq s HIS 614 N -0.61 3.36 0.47 6.54 3.76 -0.04 -4.82 115.29 123.95 3iaq s HIS 614 Ca 0.56 1.28 0.17 0.00 -0.15 0.00 0.00 55.06 56.91 3iaq s HIS 614 Cb -0.44 -2.86 1.15 0.00 1.11 0.00 0.00 32.58 31.54 3iaq s HIS 614 CO 0.53 -1.02 2.01 -1.35 -0.85 0.00 0.00 174.74 174.06 3iaq h PRO 615 N -0.56 0.24 0.00 8.40 0.11 -1.92 -2.93 132.00 135.35 3iaq h PRO 615 Ca -0.44 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 3iaq h PRO 615 Cb 1.21 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3iaq h PRO 615 CO 0.61 0.16 -0.02 0.00 -0.21 0.00 0.00 178.00 178.54 3iaq h ALA 616 N 1.75 1.63 -0.82 -0.75 0.00 -1.86 -2.74 119.26 116.48 3iaq h ALA 616 Ca 0.23 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3iaq h ALA 616 Cb 0.57 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 3iaq h ALA 616 CO -0.05 0.02 0.53 1.25 0.00 0.00 0.00 179.25 181.01 3iaq h LEU 617 N 0.00 0.90 -1.35 0.00 5.85 -1.71 -2.08 115.31 116.92 3iaq h LEU 617 Ca -0.00 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 3iaq h LEU 617 Cb 0.04 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 3iaq h LEU 617 CO 0.00 0.64 -0.23 0.00 -0.34 0.00 0.00 178.44 178.51 3iaq h THR 618 N 1.06 0.65 -0.13 1.05 1.03 -1.69 0.51 112.91 115.40 3iaq h THR 618 Ca 0.31 -1.01 -0.21 0.00 -0.01 0.00 0.00 66.41 65.49 3iaq h THR 618 Cb -0.06 1.66 0.01 0.00 -1.07 0.00 0.00 68.15 68.69 3iaq h THR 618 CO -0.09 0.22 -0.73 -0.08 -0.01 0.00 0.00 175.52 174.83 3iaq h GLU 619 N 0.00 0.72 -0.73 0.00 4.57 -1.55 -2.02 114.58 115.57 3iaq h GLU 619 Ca -0.00 -0.61 -0.05 0.00 -1.18 0.00 0.00 59.36 57.52 3iaq h GLU 619 Cb 0.64 0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.33 3iaq h GLU 619 CO 0.03 1.22 0.24 0.00 -1.18 0.00 0.00 179.01 179.32 3iaq h ALA 620 N 0.51 0.95 -0.31 2.92 0.00 -0.78 -1.47 119.26 121.09 3iaq h ALA 620 Ca -0.06 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.64 3iaq h ALA 620 Cb 1.37 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3iaq h ALA 620 CO 0.15 0.62 0.20 -0.22 0.00 0.00 0.00 179.25 180.00 3iaq h LYS 621 N 1.07 0.40 -0.53 0.00 3.64 -0.91 -1.85 116.57 118.39 3iaq h LYS 621 Ca 0.24 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.51 3iaq h LYS 621 Cb 0.28 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 3iaq h LYS 621 CO -0.01 0.26 -0.00 1.25 -2.27 0.00 0.00 179.45 178.68 3iaq h HIS 622 N 0.41 1.02 0.00 1.91 2.76 -1.15 -2.98 115.15 117.12 3iaq h HIS 622 Ca 0.12 -0.18 -0.05 0.00 -2.20 0.00 0.00 60.37 58.06 3iaq h HIS 622 Cb -0.04 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.65 3iaq h HIS 622 CO -0.06 0.94 -0.25 1.96 -1.30 0.00 0.00 177.93 179.22 3iaq h GLN 623 N 0.81 0.00 -0.64 5.26 1.08 -1.24 -3.09 115.11 117.28 3iaq h GLN 623 Ca 0.15 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 3iaq h GLN 623 Cb 0.53 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 3iaq h GLN 623 CO 0.03 0.25 0.00 1.04 -0.95 0.00 0.00 178.83 179.20 3iaq n GLN 624 N -3.23 3.76 -1.65 1.46 6.02 -0.70 -4.96 117.38 118.08 3iaq n GLN 624 Ca 0.02 -2.52 -0.38 0.00 -0.01 0.00 0.00 57.00 54.11 3iaq n GLN 624 Cb 0.56 -1.96 0.05 0.00 1.02 0.00 0.00 30.24 29.90 3iaq n GLN 624 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3iaq n GLN 625 N 0.73 1.08 0.00 -1.09 6.02 -1.13 -4.82 117.38 118.17 3iaq n GLN 625 Ca 0.22 0.41 0.12 0.00 -0.01 0.00 0.00 57.00 57.75 3iaq n GLN 625 Cb 0.90 -2.27 0.10 0.00 1.02 0.00 0.00 30.24 29.99 3iaq n GLN 625 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3iaq n PHE 626 N -1.56 0.00 -4.14 1.08 3.01 -1.26 -4.85 117.46 109.74 3iaq n PHE 626 Ca 0.13 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.31 3iaq n PHE 626 Cb 0.46 -0.00 -0.17 0.00 -0.01 0.00 0.00 39.48 39.76 3iaq n PHE 626 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 3iaq s PHE 627 N -2.18 1.93 0.05 1.38 0.08 -1.26 0.60 117.98 118.58 3iaq s PHE 627 Ca 0.25 -1.00 0.00 0.00 0.12 0.00 0.00 56.93 56.30 3iaq s PHE 627 Cb 0.19 -1.45 -0.04 0.00 -0.57 0.00 0.00 43.02 41.16 3iaq s PHE 627 CO 0.40 -0.56 0.16 -0.65 -0.10 0.00 0.00 175.22 174.47 3iaq s GLN 628 N 1.36 3.26 0.06 0.44 -1.52 0.62 -4.90 119.66 118.99 3iaq s GLN 628 Ca 0.01 -0.49 0.05 0.00 -1.95 0.00 0.00 55.36 52.98 3iaq s GLN 628 Cb -0.13 -2.95 -0.03 0.00 -0.22 0.00 0.00 33.01 29.68 3iaq s GLN 628 CO -0.07 0.61 -0.14 -0.06 -0.25 0.00 0.00 175.29 175.38 3iaq s PHE 629 N -1.43 1.19 0.01 0.91 0.40 -1.26 0.42 117.98 118.24 3iaq s PHE 629 Ca 0.31 -0.42 -0.02 0.00 -0.60 0.00 0.00 56.93 56.21 3iaq s PHE 629 Cb -0.13 -0.68 -0.01 0.00 0.51 0.00 0.00 43.02 42.70 3iaq s PHE 629 CO 0.24 0.05 0.01 1.03 0.70 0.00 0.00 175.22 177.24 3iaq s ARG 630 N -1.52 0.34 -0.06 0.44 0.52 -0.67 -4.96 118.95 113.03 3iaq s ARG 630 Ca -0.01 -0.54 0.04 0.00 -0.52 0.00 0.00 55.73 54.70 3iaq s ARG 630 Cb -0.09 0.13 -0.02 0.00 0.52 0.00 0.00 34.95 35.48 3iaq s ARG 630 CO 0.02 -0.06 -0.17 -1.17 0.02 0.00 0.00 175.30 173.94 3iaq s LEU 631 N -1.38 2.57 -0.27 2.53 2.96 -1.26 -0.71 118.68 123.12 3iaq s LEU 631 Ca -0.15 -0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 53.47 3iaq s LEU 631 Cb -0.09 -1.52 0.14 0.00 0.50 0.00 0.00 46.19 45.22 3iaq s LEU 631 CO -0.00 0.30 0.33 -0.55 -1.32 0.00 0.00 176.35 175.11 3iaq s SER 632 N -0.48 1.06 1.44 3.68 0.15 -0.63 -5.01 113.70 113.90 3iaq s SER 632 Ca 0.06 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.29 3iaq s SER 632 Cb -0.12 0.75 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 3iaq s SER 632 CO 0.02 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.71 3iaq n GLY 633 N 5.33 2.24 1.07 9.45 0.00 -1.26 -1.75 105.19 120.28 3iaq n GLY 633 Ca -0.02 -0.07 0.04 0.00 0.00 0.00 0.00 46.02 45.96 3iaq n GLY 633 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3iaq n GLN 634 N 5.60 2.70 -4.08 1.61 6.02 -1.26 -4.99 117.38 122.99 3iaq n GLN 634 Ca 0.00 -2.95 -0.33 0.00 -0.01 0.00 0.00 57.00 53.71 3iaq n GLN 634 Cb 0.00 -1.88 -0.16 0.00 1.02 0.00 0.00 30.24 29.23 3iaq n GLN 634 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3iaq s THR 635 N -2.96 2.29 -0.17 5.09 2.01 -0.71 -1.33 115.64 119.86 3iaq s THR 635 Ca 0.44 -0.92 -0.16 0.00 0.31 0.00 0.00 61.69 61.35 3iaq s THR 635 Cb 0.37 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 3iaq s THR 635 CO 0.07 0.47 0.42 -0.63 -0.69 0.00 0.00 174.62 174.26 3iaq s ILE 636 N 1.31 5.20 -0.42 1.82 1.01 -1.05 -1.61 121.20 127.46 3iaq s ILE 636 Ca 0.04 0.78 -0.12 0.00 0.00 0.00 0.00 60.65 61.35 3iaq s ILE 636 Cb -0.14 -3.75 0.05 0.00 0.01 0.00 0.00 42.46 38.64 3iaq s ILE 636 CO -0.11 0.29 0.29 -0.70 0.00 0.00 0.00 174.94 174.71 3iaq s GLU 637 N 0.99 2.82 -0.23 2.79 2.12 0.11 -1.76 118.70 125.55 3iaq s GLU 637 Ca 0.21 -1.26 -0.12 0.00 0.36 0.00 0.00 54.97 54.16 3iaq s GLU 637 Cb -0.15 -3.89 -0.05 0.00 0.26 0.00 0.00 34.13 30.30 3iaq s GLU 637 CO 0.08 -0.87 0.24 0.08 -0.54 0.00 0.00 175.26 174.24 3iaq s VAL 638 N 1.56 5.30 -0.11 3.70 1.01 0.05 -1.67 120.40 130.24 3iaq s VAL 638 Ca 0.03 0.34 0.02 0.00 0.00 0.00 0.00 61.98 62.38 3iaq s VAL 638 Cb -0.22 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 3iaq s VAL 638 CO 0.06 0.31 -0.19 -0.89 0.00 0.00 0.00 175.10 174.38 3iaq s THR 639 N 1.21 2.49 -0.07 3.92 2.01 0.17 -1.15 115.64 124.21 3iaq s THR 639 Ca 0.11 -0.87 -0.26 0.00 0.31 0.00 0.00 61.69 60.98 3iaq s THR 639 Cb -0.14 -1.99 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 3iaq s THR 639 CO 0.06 0.55 0.82 -0.55 -0.69 0.00 0.00 174.62 174.81 3iaq s SER 640 N 0.32 7.10 0.00 3.53 0.15 -0.91 -0.27 113.70 123.62 3iaq s SER 640 Ca -0.15 1.34 0.27 0.00 0.70 0.00 0.00 55.95 58.11 3iaq s SER 640 Cb -0.17 -2.47 0.77 0.00 -1.71 0.00 0.00 66.02 62.44 3iaq s SER 640 CO 0.07 -0.23 1.59 -0.62 1.20 0.00 0.00 173.24 175.26 3iaq n GLU 641 N 4.14 1.87 -2.09 5.44 1.02 0.20 -2.87 120.64 128.35 3iaq n GLU 641 Ca 0.02 -1.27 -0.37 0.00 -0.02 0.00 0.00 57.16 55.52 3iaq n GLU 641 Cb 0.51 -1.47 0.01 0.00 -0.02 0.00 0.00 31.44 30.46 3iaq n GLU 641 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3iaq s TYR 642 N -2.00 2.66 -0.16 -0.32 2.02 -1.26 -4.83 117.35 113.46 3iaq s TYR 642 Ca 0.35 1.48 0.10 0.00 -0.37 0.00 0.00 57.07 58.63 3iaq s TYR 642 Cb 0.21 -3.52 -0.23 0.00 -0.40 0.00 0.00 41.96 38.02 3iaq s TYR 642 CO 0.32 -1.99 0.19 1.28 -1.57 0.00 0.00 175.55 173.78 3iaq n LEU 643 N -0.74 1.23 0.00 -1.29 4.77 -1.26 -1.77 117.00 117.93 3iaq n LEU 643 Ca 0.09 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 3iaq n LEU 643 Cb 0.47 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3iaq n LEU 643 CO 0.49 0.62 -0.45 0.49 -1.33 0.00 0.00 177.39 177.20 3iaq n PHE 644 N -3.03 0.00 -3.04 -1.77 3.72 -1.26 -4.80 117.46 107.27 3iaq n PHE 644 Ca -0.32 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.75 3iaq n PHE 644 Cb 1.08 0.02 -0.06 0.00 -0.94 0.00 0.00 39.48 39.57 3iaq n PHE 644 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 3iaq s ARG 645 N -1.94 4.10 0.40 -1.08 1.70 -1.26 -4.76 118.95 116.10 3iaq s ARG 645 Ca 0.00 0.82 -0.09 0.00 -0.47 0.00 0.00 55.73 55.99 3iaq s ARG 645 Cb 0.00 -2.41 -0.06 0.00 -0.57 0.00 0.00 34.95 31.91 3iaq s ARG 645 CO 0.00 0.13 0.74 -1.58 -1.08 0.00 0.00 175.30 173.51 3iaq s HIS 646 N -1.99 3.48 -1.14 5.89 5.65 -1.26 -3.46 115.29 122.46 3iaq s HIS 646 Ca 0.55 0.96 -0.21 0.00 0.25 0.00 0.00 55.06 56.61 3iaq s HIS 646 Cb -0.11 -2.38 -0.06 0.00 -1.18 0.00 0.00 32.58 28.86 3iaq s HIS 646 CO 0.17 -0.09 1.92 -1.13 -0.65 0.00 0.00 174.74 174.96 3iaq n SER 647 N -1.36 3.46 -1.01 9.88 3.41 -0.27 -4.67 113.62 123.07 3iaq n SER 647 Ca 0.02 -2.76 0.11 0.00 -0.26 0.00 0.00 58.87 55.98 3iaq n SER 647 Cb 0.54 -1.59 0.16 0.00 -0.26 0.00 0.00 64.21 63.06 3iaq n SER 647 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3iaq n ASP 648 N 10.54 3.17 -2.71 4.04 5.75 -1.26 -4.26 116.55 131.82 3iaq n ASP 648 Ca 0.48 -1.95 -0.06 0.00 -0.01 0.00 0.00 54.79 53.24 3iaq n ASP 648 Cb 0.44 -0.15 0.04 0.00 -1.03 0.00 0.00 41.12 40.42 3iaq n ASP 648 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3iaq n ASN 649 N 1.34 1.54 -3.78 -1.12 5.15 -1.26 -5.05 115.26 112.08 3iaq n ASN 649 Ca 0.16 -2.51 -0.13 0.00 -0.60 0.00 0.00 54.58 51.51 3iaq n ASN 649 Cb 0.57 -0.51 -0.13 0.00 -0.53 0.00 0.00 39.78 39.18 3iaq n ASN 649 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3iaq s GLU 650 N -3.35 0.19 0.04 1.20 8.01 -1.26 -3.92 118.70 119.61 3iaq s GLU 650 Ca 0.27 0.34 0.02 0.00 0.01 0.00 0.00 54.97 55.61 3iaq s GLU 650 Cb 0.41 0.00 -0.02 0.00 -4.31 0.00 0.00 34.13 30.21 3iaq s GLU 650 CO 0.01 -0.08 -0.07 -0.48 0.01 0.00 0.00 175.26 174.65 3iaq s LEU 651 N 0.55 2.26 -0.20 1.80 0.05 -0.48 -1.90 118.68 120.76 3iaq s LEU 651 Ca -0.04 -0.55 -0.15 0.00 0.05 0.00 0.00 54.13 53.44 3iaq s LEU 651 Cb -0.05 -0.11 -0.04 0.00 -2.05 0.00 0.00 46.19 43.94 3iaq s LEU 651 CO -0.03 -0.23 0.36 -0.22 -0.55 0.00 0.00 176.35 175.68 3iaq s LEU 652 N -1.60 4.17 -0.25 1.48 2.96 0.30 -1.34 118.68 124.40 3iaq s LEU 652 Ca -0.11 0.48 -0.10 0.00 -0.22 0.00 0.00 54.13 54.18 3iaq s LEU 652 Cb -0.10 -2.45 -0.05 0.00 0.50 0.00 0.00 46.19 44.10 3iaq s LEU 652 CO -0.00 -0.03 0.16 -1.00 -1.32 0.00 0.00 176.35 174.16 3iaq s HIS 653 N 1.12 3.28 -0.07 5.38 3.76 0.78 -0.30 115.29 129.24 3iaq s HIS 653 Ca 0.17 0.18 0.02 0.00 -0.15 0.00 0.00 55.06 55.28 3iaq s HIS 653 Cb -0.14 -2.29 -0.03 0.00 1.11 0.00 0.00 32.58 31.23 3iaq s HIS 653 CO 0.07 0.00 -0.11 1.67 -0.85 0.00 0.00 174.74 175.52 3iaq s TRP 654 N 1.22 2.81 -0.03 1.40 1.48 -1.01 0.58 118.94 125.39 3iaq s TRP 654 Ca 0.07 -0.16 0.03 0.00 -1.06 0.00 0.00 56.10 54.98 3iaq s TRP 654 Cb -0.14 -1.70 0.00 0.00 -1.16 0.00 0.00 33.47 30.47 3iaq s TRP 654 CO 0.06 0.18 -0.09 1.41 -4.06 0.00 0.00 176.95 174.44 3iaq s MET 655 N -0.57 1.02 -0.13 3.25 1.75 0.65 -1.60 119.30 123.68 3iaq s MET 655 Ca 0.08 -0.32 0.02 0.00 -1.25 0.00 0.00 55.69 54.23 3iaq s MET 655 Cb -0.12 -0.95 0.01 0.00 2.84 0.00 0.00 34.83 36.62 3iaq s MET 655 CO 0.02 0.11 -0.21 0.08 -0.65 0.00 0.00 175.02 174.37 3iaq s VAL 656 N 0.21 1.95 -0.01 10.11 1.01 0.14 0.11 120.40 133.94 3iaq s VAL 656 Ca -0.04 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.05 3iaq s VAL 656 Cb -0.09 -1.73 -0.00 0.00 0.00 0.00 0.00 36.38 34.56 3iaq s VAL 656 CO 0.01 0.53 -0.06 0.00 0.00 0.00 0.00 175.10 175.57 3iaq s ALA 657 N 0.80 0.55 -0.53 5.51 0.00 -0.40 -0.36 121.76 127.33 3iaq s ALA 657 Ca -0.08 -0.27 -0.18 0.00 0.00 0.00 0.00 51.96 51.43 3iaq s ALA 657 Cb -0.16 -0.15 0.08 0.00 0.00 0.00 0.00 23.12 22.90 3iaq s ALA 657 CO -0.01 0.13 0.59 -1.17 0.00 0.00 0.00 175.76 175.30 3iaq s LEU 658 N -0.11 5.39 -1.60 0.00 2.96 -0.62 -0.27 118.68 124.43 3iaq s LEU 658 Ca 0.02 -1.27 -0.09 0.00 -0.22 0.00 0.00 54.13 52.56 3iaq s LEU 658 Cb -0.03 -2.32 0.09 0.00 0.50 0.00 0.00 46.19 44.43 3iaq s LEU 658 CO -0.00 -0.91 0.48 0.47 -1.32 0.00 0.00 176.35 175.07 3iaq n ASP 659 N 5.92 -1.28 0.00 3.68 8.00 -0.74 -2.12 116.55 130.00 3iaq n ASP 659 Ca -0.10 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.31 3iaq n ASP 659 Cb 0.43 -2.47 0.00 0.00 -0.02 0.00 0.00 41.12 39.07 3iaq n ASP 659 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iaq n GLY 660 N -1.79 2.58 3.66 0.44 0.00 -1.26 -4.74 105.19 104.08 3iaq n GLY 660 Ca -0.13 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 3iaq n GLY 660 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iaq s LYS 661 N 0.00 4.27 0.35 1.61 1.02 -0.90 -4.62 119.74 121.46 3iaq s LYS 661 Ca 0.00 1.43 -0.29 0.00 0.02 0.00 0.00 55.97 57.14 3iaq s LYS 661 Cb 0.00 -3.66 -0.11 0.00 -0.52 0.00 0.00 37.83 33.54 3iaq s LYS 661 CO 0.00 -0.62 1.47 -2.14 -0.92 0.00 0.00 175.35 173.14 3iaq s PRO 662 N 3.16 4.16 -0.01 -1.68 0.02 -1.26 -1.58 135.00 137.80 3iaq s PRO 662 Ca 0.47 2.50 -0.00 0.00 0.02 0.00 0.00 61.00 63.99 3iaq s PRO 662 Cb -0.17 -3.00 -0.00 0.00 0.02 0.00 0.00 34.50 31.35 3iaq s PRO 662 CO 0.09 -0.49 -0.01 -0.11 -0.33 0.00 0.00 177.00 176.15 3iaq n LEU 663 N 0.90 1.01 -3.59 -5.54 -0.00 0.51 -4.87 117.00 105.42 3iaq n LEU 663 Ca 0.02 0.01 -0.16 0.00 -0.00 0.00 0.00 56.01 55.88 3iaq n LEU 663 Cb 0.39 -0.03 -0.07 0.00 -0.00 0.00 0.00 43.42 43.72 3iaq n LEU 663 CO 0.63 0.18 0.36 0.00 -0.00 0.00 0.00 177.39 178.55 3iaq s ALA 664 N -2.02 -1.59 0.23 1.96 0.00 -1.02 -4.95 121.76 114.38 3iaq s ALA 664 Ca -0.01 1.32 -0.15 0.00 0.00 0.00 0.00 51.96 53.12 3iaq s ALA 664 Cb 0.00 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.85 3iaq s ALA 664 CO 0.02 -0.34 0.52 -1.54 0.00 0.00 0.00 175.76 174.41 3iaq s SER 665 N -0.79 -0.16 0.02 0.00 1.04 -1.26 0.28 113.70 112.83 3iaq s SER 665 Ca -0.08 -0.72 -0.12 0.00 0.48 0.00 0.00 55.95 55.50 3iaq s SER 665 Cb -0.02 0.59 0.04 0.00 0.10 0.00 0.00 66.02 66.74 3iaq s SER 665 CO 0.07 -1.12 0.56 0.61 0.98 0.00 0.00 173.24 174.34 3iaq n GLY 666 N -0.37 0.62 3.05 7.32 0.00 -0.63 -5.00 105.19 110.19 3iaq n GLY 666 Ca -0.05 -0.97 -0.20 0.00 0.00 0.00 0.00 46.02 44.80 3iaq n GLY 666 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iaq s GLU 667 N -2.01 0.93 -0.03 1.61 2.02 -1.26 -2.41 118.70 117.54 3iaq s GLU 667 Ca 0.13 -0.39 -0.01 0.00 0.02 0.00 0.00 54.97 54.71 3iaq s GLU 667 Cb -0.01 -0.89 0.03 0.00 0.10 0.00 0.00 34.13 33.36 3iaq s GLU 667 CO 0.01 0.23 0.05 0.08 0.02 0.00 0.00 175.26 175.65 3iaq s VAL 668 N -0.21 -0.09 0.43 2.63 1.01 0.59 -4.97 120.40 119.79 3iaq s VAL 668 Ca 0.03 0.37 -0.26 0.00 0.00 0.00 0.00 61.98 62.13 3iaq s VAL 668 Cb -0.05 -0.13 -0.09 0.00 0.00 0.00 0.00 36.38 36.11 3iaq s VAL 668 CO -0.00 0.16 1.44 -2.65 0.00 0.00 0.00 175.10 174.04 3iaq n PRO 669 N 5.00 2.33 -3.31 2.72 -0.02 -1.26 0.11 135.00 140.56 3iaq n PRO 669 Ca -0.10 0.83 -0.41 0.00 -2.02 0.00 0.00 63.50 61.80 3iaq n PRO 669 Cb 0.50 -2.63 -0.08 0.00 -0.02 0.00 0.00 33.50 31.27 3iaq n PRO 669 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3iaq s LEU 670 N -2.49 4.36 -0.61 2.45 1.43 -0.80 -4.75 118.68 118.27 3iaq s LEU 670 Ca 0.59 -0.08 0.05 0.00 -1.03 0.00 0.00 54.13 53.66 3iaq s LEU 670 Cb -0.46 -2.48 0.33 0.00 0.03 0.00 0.00 46.19 43.62 3iaq s LEU 670 CO 0.59 -0.40 0.99 -0.67 0.23 0.00 0.00 176.35 177.09 3iaq n ASP 671 N 5.57 4.62 -4.66 2.29 2.03 -1.26 -4.67 116.55 120.47 3iaq n ASP 671 Ca -0.07 -3.68 -0.35 0.00 0.52 0.00 0.00 54.79 51.22 3iaq n ASP 671 Cb 0.49 -0.60 -0.09 0.00 -0.72 0.00 0.00 41.12 40.20 3iaq n ASP 671 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3iaq s VAL 672 N -4.38 4.88 0.71 5.18 1.01 -1.26 -4.93 120.40 121.61 3iaq s VAL 672 Ca 0.48 -0.00 -0.11 0.00 0.00 0.00 0.00 61.98 62.35 3iaq s VAL 672 Cb 0.27 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 33.47 3iaq s VAL 672 CO -0.13 0.47 1.08 0.00 0.00 0.00 0.00 175.10 176.51 3iaq s ALA 673 N 0.28 2.75 0.25 5.51 0.00 -1.26 -1.11 121.76 128.17 3iaq s ALA 673 Ca 0.04 -0.21 -0.30 0.00 0.00 0.00 0.00 51.96 51.49 3iaq s ALA 673 Cb -0.12 -3.08 -0.11 0.00 0.00 0.00 0.00 23.12 19.82 3iaq s ALA 673 CO -0.00 -1.21 1.56 -1.25 0.00 0.00 0.00 175.76 174.86 3iaq s PRO 674 N -5.23 4.18 0.00 0.00 0.04 -1.22 -0.73 135.00 132.03 3iaq s PRO 674 Ca 0.58 2.46 0.00 0.00 0.04 0.00 0.00 61.00 64.09 3iaq s PRO 674 Cb -0.12 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.34 3iaq s PRO 674 CO 0.53 -0.58 0.00 1.04 0.04 0.00 0.00 177.00 178.03 3iaq n GLN 675 N 2.72 -0.11 -2.23 4.56 1.13 -0.73 -4.94 117.38 117.79 3iaq n GLN 675 Ca 0.10 0.03 -0.27 0.00 -1.94 0.00 0.00 57.00 54.91 3iaq n GLN 675 Cb 0.38 -3.75 0.16 0.00 0.11 0.00 0.00 30.24 27.14 3iaq n GLN 675 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3iaq s GLY 676 N -2.00 1.78 0.09 1.08 0.00 0.09 -4.78 107.32 103.59 3iaq s GLY 676 Ca 0.00 -1.50 0.05 0.00 0.00 0.00 0.00 44.72 43.27 3iaq s GLY 676 CO 0.00 -0.78 -0.12 0.54 0.00 0.00 0.00 173.10 172.73 3iaq s LYS 677 N -5.59 0.87 -0.02 2.90 1.02 -1.26 -2.14 119.74 115.52 3iaq s LYS 677 Ca 0.72 -1.10 -0.01 0.00 0.02 0.00 0.00 55.97 55.60 3iaq s LYS 677 Cb -0.04 -0.71 0.01 0.00 -0.52 0.00 0.00 37.83 36.57 3iaq s LYS 677 CO 0.50 0.14 0.05 -1.14 -0.92 0.00 0.00 175.35 173.97 3iaq s GLN 678 N -2.37 0.04 -0.14 1.68 0.74 -0.30 -4.85 119.66 114.46 3iaq s GLN 678 Ca 0.03 0.09 -0.02 0.00 0.05 0.00 0.00 55.36 55.52 3iaq s GLN 678 Cb -0.06 -0.02 -0.02 0.00 1.10 0.00 0.00 33.01 34.01 3iaq s GLN 678 CO 0.02 -0.03 -0.08 -0.51 -0.55 0.00 0.00 175.29 174.13 3iaq s LEU 679 N 0.21 3.00 -0.23 3.68 1.43 -1.26 -0.77 118.68 124.73 3iaq s LEU 679 Ca -0.02 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.89 3iaq s LEU 679 Cb -0.02 -1.70 0.05 0.00 0.03 0.00 0.00 46.19 44.55 3iaq s LEU 679 CO -0.01 0.18 -0.12 -0.63 0.23 0.00 0.00 176.35 176.00 3iaq s ILE 680 N 0.29 2.01 -0.06 -0.59 1.01 -0.72 -4.99 121.20 118.14 3iaq s ILE 680 Ca -0.07 -1.38 -0.30 0.00 0.00 0.00 0.00 60.65 58.91 3iaq s ILE 680 Cb -0.15 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 3iaq s ILE 680 CO 0.04 0.09 1.14 -0.70 0.00 0.00 0.00 174.94 175.52 3iaq s GLU 681 N 1.21 4.38 0.05 2.79 2.56 -1.26 -2.53 118.70 125.90 3iaq s GLU 681 Ca -0.05 1.59 -0.22 0.00 0.00 0.00 0.00 54.97 56.30 3iaq s GLU 681 Cb -0.18 -3.54 -0.06 0.00 2.00 0.00 0.00 34.13 32.35 3iaq s GLU 681 CO -0.07 -0.39 0.64 -0.51 -0.56 0.00 0.00 175.26 174.37 3iaq s LEU 682 N 2.08 4.48 0.25 2.70 1.43 -0.44 -5.04 118.68 124.13 3iaq s LEU 682 Ca 0.54 1.32 -0.30 0.00 -1.03 0.00 0.00 54.13 54.66 3iaq s LEU 682 Cb -0.23 -3.02 -0.10 0.00 0.03 0.00 0.00 46.19 42.87 3iaq s LEU 682 CO 0.21 0.16 1.35 -2.16 0.23 0.00 0.00 176.35 176.14 3iaq s PRO 683 N -0.60 4.34 -0.16 1.29 0.04 -1.26 -4.88 135.00 133.78 3iaq s PRO 683 Ca 0.32 2.18 -0.36 0.00 0.04 0.00 0.00 61.00 63.18 3iaq s PRO 683 Cb -0.20 -3.13 -0.13 0.00 0.04 0.00 0.00 34.50 31.08 3iaq s PRO 683 CO 0.20 -0.28 1.85 -1.91 0.04 0.00 0.00 177.00 176.90 3iaq n GLU 684 N 2.05 1.82 -2.89 4.56 2.13 -1.26 -4.91 120.64 122.13 3iaq n GLU 684 Ca 0.05 0.66 -0.33 0.00 0.66 0.00 0.00 57.16 58.20 3iaq n GLU 684 Cb 0.42 -2.47 -0.06 0.00 0.27 0.00 0.00 31.44 29.59 3iaq n GLU 684 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3iaq s LEU 685 N 4.05 3.95 0.05 4.31 1.43 -1.26 -5.00 118.68 126.21 3iaq s LEU 685 Ca 0.95 1.51 -0.30 0.00 -1.03 0.00 0.00 54.13 55.26 3iaq s LEU 685 Cb -0.82 -4.35 -0.09 0.00 0.03 0.00 0.00 46.19 40.96 3iaq s LEU 685 CO 0.56 -0.33 1.83 -2.84 0.23 0.00 0.00 176.35 175.80 3iaq s PRO 686 N -3.23 4.16 -0.31 1.29 0.02 -1.26 -4.94 135.00 130.72 3iaq s PRO 686 Ca 0.59 2.50 -0.29 0.00 0.02 0.00 0.00 61.00 63.81 3iaq s PRO 686 Cb -0.10 -3.88 0.00 0.00 0.02 0.00 0.00 34.50 30.55 3iaq s PRO 686 CO 0.17 -0.87 1.31 -0.65 -0.33 0.00 0.00 177.00 176.63 3iaq s GLN 687 N 3.60 3.88 0.17 5.54 -0.21 -1.26 -4.98 119.66 126.40 3iaq s GLN 687 Ca 0.82 1.21 -0.31 0.00 0.02 0.00 0.00 55.36 57.10 3iaq s GLN 687 Cb -0.42 -3.89 -0.09 0.00 1.00 0.00 0.00 33.01 29.61 3iaq s GLN 687 CO 0.37 -1.16 1.37 -1.25 -2.12 0.00 0.00 175.29 172.50 3iaq s PRO 688 N 4.23 4.34 0.08 2.91 0.04 -1.26 -4.92 135.00 140.42 3iaq s PRO 688 Ca 0.57 2.11 -0.08 0.00 0.04 0.00 0.00 61.00 63.64 3iaq s PRO 688 Cb -0.16 -3.20 -0.23 0.00 0.04 0.00 0.00 34.50 30.95 3iaq s PRO 688 CO 0.24 -0.36 1.18 0.93 0.04 0.00 0.00 177.00 179.02 3iaq h GLU 689 N 5.96 0.43 -7.03 4.56 5.08 -2.04 -3.46 114.58 118.09 3iaq h GLU 689 Ca -0.44 -0.59 -0.48 0.00 -1.00 0.00 0.00 59.36 56.85 3iaq h GLU 689 Cb 1.21 0.20 0.02 0.00 0.50 0.00 0.00 28.75 30.69 3iaq h GLU 689 CO 0.82 1.24 0.40 -1.54 -1.00 0.00 0.00 179.01 178.93 3iaq s SER 690 N -7.24 6.49 0.88 1.42 1.04 -1.26 -5.03 113.70 110.00 3iaq s SER 690 Ca -0.06 1.99 -0.11 0.00 0.48 0.00 0.00 55.95 58.25 3iaq s SER 690 Cb 0.07 -2.57 0.12 0.00 0.10 0.00 0.00 66.02 63.74 3iaq s SER 690 CO 0.90 -0.68 1.10 0.00 0.98 0.00 0.00 173.24 175.53 3iaq s ALA 691 N -1.83 1.60 0.00 5.32 0.00 -1.26 -4.90 121.76 120.68 3iaq s ALA 691 Ca 0.64 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.81 3iaq s ALA 691 Cb -0.19 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.64 3iaq s ALA 691 CO 0.24 -2.38 0.00 0.41 0.00 0.00 0.00 175.76 174.02 3iaq n GLY 692 N -0.65 0.99 3.55 0.00 0.00 0.16 -4.96 105.19 104.28 3iaq n GLY 692 Ca 0.09 -2.03 -0.34 0.00 0.00 0.00 0.00 46.02 43.74 3iaq n GLY 692 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3iaq s GLN 693 N -1.03 3.80 0.21 1.61 2.00 -1.26 -1.16 119.66 123.84 3iaq s GLN 693 Ca 0.00 -0.44 -0.25 0.00 -2.00 0.00 0.00 55.36 52.68 3iaq s GLN 693 Cb 0.00 -3.09 -0.08 0.00 0.80 0.00 0.00 33.01 30.63 3iaq s GLN 693 CO 0.00 0.20 0.81 -0.51 -0.50 0.00 0.00 175.29 175.29 3iaq s LEU 694 N 0.52 4.51 0.04 3.68 1.43 -0.86 -1.80 118.68 126.21 3iaq s LEU 694 Ca 0.00 1.66 0.06 0.00 -1.03 0.00 0.00 54.13 54.82 3iaq s LEU 694 Cb -0.13 -3.50 -0.02 0.00 0.03 0.00 0.00 46.19 42.57 3iaq s LEU 694 CO 0.02 0.13 -0.17 0.26 0.23 0.00 0.00 176.35 176.82 3iaq s TRP 695 N -1.30 1.47 -0.17 0.29 0.52 0.62 -1.04 118.94 119.33 3iaq s TRP 695 Ca 0.40 -0.36 -0.01 0.00 0.02 0.00 0.00 56.10 56.14 3iaq s TRP 695 Cb -0.21 -0.87 -0.00 0.00 -1.15 0.00 0.00 33.47 31.23 3iaq s TRP 695 CO 0.25 0.06 -0.12 -1.17 0.02 0.00 0.00 176.95 176.00 3iaq s LEU 696 N -1.19 2.62 -0.23 2.99 2.96 -0.23 -1.28 118.68 124.32 3iaq s LEU 696 Ca 0.04 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 3iaq s LEU 696 Cb -0.08 -1.62 0.05 0.00 0.50 0.00 0.00 46.19 45.04 3iaq s LEU 696 CO 0.02 0.06 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.09 3iaq s THR 697 N 0.95 2.02 -0.03 3.68 2.01 0.12 -1.38 115.64 123.01 3iaq s THR 697 Ca -0.02 -1.33 -0.03 0.00 0.31 0.00 0.00 61.69 60.62 3iaq s THR 697 Cb -0.15 -2.05 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 3iaq s THR 697 CO -0.01 0.15 0.16 0.68 -0.69 0.00 0.00 174.62 174.91 3iaq s VAL 698 N 1.21 5.35 -0.01 3.82 -7.23 -0.67 -0.25 120.40 122.63 3iaq s VAL 698 Ca -0.04 -0.13 0.02 0.00 -1.81 0.00 0.00 61.98 60.02 3iaq s VAL 698 Cb -0.17 -3.47 -0.01 0.00 0.56 0.00 0.00 36.38 33.29 3iaq s VAL 698 CO -0.08 0.38 -0.08 -0.13 -0.31 0.00 0.00 175.10 174.88 3iaq s ARG 699 N -1.76 0.63 -0.31 4.82 0.52 0.20 -2.30 118.95 120.74 3iaq s ARG 699 Ca 0.25 -0.28 -0.13 0.00 -0.52 0.00 0.00 55.73 55.05 3iaq s ARG 699 Cb -0.12 -0.61 -0.03 0.00 0.52 0.00 0.00 34.95 34.70 3iaq s ARG 699 CO 0.16 0.17 0.24 0.08 0.02 0.00 0.00 175.30 175.97 3iaq s VAL 700 N -0.18 5.27 -0.06 3.52 1.01 0.59 -0.16 120.40 130.40 3iaq s VAL 700 Ca 0.03 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.09 3iaq s VAL 700 Cb -0.03 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 3iaq s VAL 700 CO -0.00 0.11 -0.13 -0.69 0.00 0.00 0.00 175.10 174.38 3iaq s VAL 701 N 1.80 3.17 -0.53 2.92 1.01 -0.45 -1.28 120.40 127.04 3iaq s VAL 701 Ca 0.08 -0.68 -0.19 0.00 0.00 0.00 0.00 61.98 61.19 3iaq s VAL 701 Cb -0.17 -2.25 0.07 0.00 0.00 0.00 0.00 36.38 34.04 3iaq s VAL 701 CO 0.11 0.59 0.64 -1.10 0.00 0.00 0.00 175.10 175.33 3iaq s GLN 702 N -0.68 3.09 0.25 2.72 -0.21 0.11 -1.38 119.66 123.55 3iaq s GLN 702 Ca 0.10 -1.07 -0.05 0.00 0.02 0.00 0.00 55.36 54.36 3iaq s GLN 702 Cb -0.11 -4.16 0.31 0.00 1.00 0.00 0.00 33.01 30.06 3iaq s GLN 702 CO 0.01 -1.32 1.89 -1.35 -2.12 0.00 0.00 175.29 172.40 3iaq h PRO 703 N 9.04 1.15 -5.80 2.91 0.11 -1.88 0.33 132.00 137.87 3iaq h PRO 703 Ca -0.28 -0.07 -0.64 0.00 0.11 0.00 0.00 66.00 65.12 3iaq h PRO 703 Cb 1.09 -0.26 -0.06 0.00 0.11 0.00 0.00 31.00 31.89 3iaq h PRO 703 CO 1.01 0.76 -0.44 -0.80 -0.21 0.00 0.00 178.00 178.32 3iaq s ASN 704 N -5.95 6.44 0.62 -2.05 -0.87 -1.26 -3.56 114.94 108.31 3iaq s ASN 704 Ca -0.13 0.49 -0.18 0.00 -1.57 0.00 0.00 52.86 51.47 3iaq s ASN 704 Cb 0.18 -2.06 -0.02 0.00 -0.02 0.00 0.00 41.25 39.33 3iaq s ASN 704 CO 0.81 0.31 1.19 0.00 -2.57 0.00 0.00 177.10 176.84 3iaq s ALA 705 N -1.22 2.48 0.27 0.60 0.00 -1.26 -4.50 121.76 118.13 3iaq s ALA 705 Ca 0.24 0.93 0.02 0.00 0.00 0.00 0.00 51.96 53.14 3iaq s ALA 705 Cb -0.13 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.55 3iaq s ALA 705 CO 0.13 -1.26 0.06 0.25 0.00 0.00 0.00 175.76 174.94 3iaq n THR 706 N -1.83 0.00 0.25 0.00 -2.24 0.64 -4.92 114.28 106.18 3iaq n THR 706 Ca 0.13 -1.46 0.12 0.00 -2.27 0.00 0.00 64.05 60.58 3iaq n THR 706 Cb 0.50 0.46 0.61 0.00 -2.10 0.00 0.00 70.33 69.80 3iaq n THR 706 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iaq h ALA 707 N 1.34 1.10 -0.00 6.98 0.00 -1.99 -3.28 119.26 123.40 3iaq h ALA 707 Ca -0.21 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3iaq h ALA 707 Cb 0.75 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3iaq h ALA 707 CO 0.34 0.19 -0.06 -2.67 0.00 0.00 0.00 179.25 177.05 3iaq n TRP 708 N -3.41 0.00 -3.77 0.00 4.27 -1.26 -5.06 117.44 108.21 3iaq n TRP 708 Ca -0.01 0.00 -0.12 0.00 -3.89 0.00 0.00 57.50 53.49 3iaq n TRP 708 Cb 0.33 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.21 3iaq n TRP 708 CO 0.00 0.00 0.00 -1.54 -2.29 0.00 0.00 177.69 173.86 3iaq s SER 709 N -0.71 -0.11 0.54 -0.67 1.04 -1.24 -4.64 113.70 107.91 3iaq s SER 709 Ca 0.02 -0.18 -0.08 0.00 0.48 0.00 0.00 55.95 56.20 3iaq s SER 709 Cb 0.02 0.34 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 3iaq s SER 709 CO 0.07 -0.58 0.89 -1.61 0.98 0.00 0.00 173.24 172.99 3iaq s GLU 710 N -2.37 3.58 0.34 4.02 2.02 -1.26 -0.26 118.70 124.77 3iaq s GLU 710 Ca -0.06 0.45 -0.29 0.00 0.02 0.00 0.00 54.97 55.08 3iaq s GLU 710 Cb -0.02 -2.25 -0.12 0.00 0.10 0.00 0.00 34.13 31.85 3iaq s GLU 710 CO -0.02 -0.35 1.50 0.00 0.02 0.00 0.00 175.26 176.40 3iaq n ALA 711 N -2.42 2.23 -0.70 5.21 0.00 -1.26 -2.64 120.51 120.93 3iaq n ALA 711 Ca 0.03 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.83 3iaq n ALA 711 Cb 0.55 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.59 3iaq n ALA 711 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iaq n GLY 712 N 1.16 0.81 3.62 0.00 0.00 0.12 -4.94 105.19 105.96 3iaq n GLY 712 Ca 0.05 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.61 3iaq n GLY 712 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3iaq n HIS 713 N -2.15 1.65 -3.54 1.61 -0.00 -1.08 -4.49 115.22 107.21 3iaq n HIS 713 Ca 0.00 0.60 -0.37 0.00 0.46 0.00 0.00 57.72 58.41 3iaq n HIS 713 Cb 0.00 -2.34 -0.09 0.00 -0.12 0.00 0.00 29.99 27.44 3iaq n HIS 713 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 3iaq s ILE 714 N -0.52 5.29 -0.03 3.57 1.01 -1.26 0.05 121.20 129.31 3iaq s ILE 714 Ca 0.65 0.38 0.09 0.00 0.00 0.00 0.00 60.65 61.77 3iaq s ILE 714 Cb -0.72 -3.59 -0.14 0.00 0.01 0.00 0.00 42.46 38.03 3iaq s ILE 714 CO 0.55 0.29 0.17 -1.54 0.00 0.00 0.00 174.94 174.40 3iaq n SER 715 N 4.54 2.91 -3.70 3.58 3.41 -0.40 -5.01 113.62 118.95 3iaq n SER 715 Ca -0.12 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.35 3iaq n SER 715 Cb 0.52 1.28 -0.09 0.00 -0.26 0.00 0.00 64.21 65.66 3iaq n SER 715 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iaq s ALA 716 N -2.55 -1.12 0.12 7.33 0.00 -1.23 -4.76 121.76 119.55 3iaq s ALA 716 Ca -0.04 0.93 -0.10 0.00 0.00 0.00 0.00 51.96 52.75 3iaq s ALA 716 Cb 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.88 3iaq s ALA 716 CO 0.37 -0.26 0.26 1.67 0.00 0.00 0.00 175.76 177.80 3iaq s TRP 717 N -0.63 0.15 -0.07 0.00 -2.14 -1.26 -0.30 118.94 114.69 3iaq s TRP 717 Ca -0.07 -0.54 -0.30 0.00 2.66 0.00 0.00 56.10 57.84 3iaq s TRP 717 Cb -0.03 0.01 0.07 0.00 -3.10 0.00 0.00 33.47 30.42 3iaq s TRP 717 CO 0.04 -0.63 0.69 -1.14 -2.66 0.00 0.00 176.95 173.24 3iaq s GLN 718 N -3.88 1.04 0.06 3.25 2.00 -0.97 -5.02 119.66 116.13 3iaq s GLN 718 Ca 0.08 0.33 0.07 0.00 -2.00 0.00 0.00 55.36 53.84 3iaq s GLN 718 Cb 0.04 0.49 -0.03 0.00 0.80 0.00 0.00 33.01 34.31 3iaq s GLN 718 CO -0.08 -0.31 -0.18 -0.65 -0.50 0.00 0.00 175.29 173.57 3iaq s GLN 719 N -1.04 1.14 0.04 1.67 -0.21 -1.26 -1.67 119.66 118.32 3iaq s GLN 719 Ca -0.10 -0.97 0.01 0.00 0.02 0.00 0.00 55.36 54.33 3iaq s GLN 719 Cb -0.00 -1.26 -0.02 0.00 1.00 0.00 0.00 33.01 32.72 3iaq s GLN 719 CO 0.09 0.31 -0.06 -1.58 -2.12 0.00 0.00 175.29 171.93 3iaq s TRP 720 N -0.97 0.54 -0.08 0.91 0.51 -0.48 -5.00 118.94 114.37 3iaq s TRP 720 Ca 0.05 -0.56 -0.26 0.00 -2.12 0.00 0.00 56.10 53.21 3iaq s TRP 720 Cb -0.09 -0.34 -0.03 0.00 -0.81 0.00 0.00 33.47 32.21 3iaq s TRP 720 CO 0.02 -0.14 0.81 1.03 -0.51 0.00 0.00 176.95 178.17 3iaq s ARG 721 N -1.78 4.42 0.00 4.98 0.52 -1.26 -1.07 118.95 124.76 3iaq s ARG 721 Ca -0.10 1.06 0.00 0.00 -0.52 0.00 0.00 55.73 56.17 3iaq s ARG 721 Cb -0.08 -3.49 0.00 0.00 0.52 0.00 0.00 34.95 31.90 3iaq s ARG 721 CO -0.01 -0.09 0.00 1.28 0.02 0.00 0.00 175.30 176.50 3iaq n LEU 722 N 4.28 0.00 -4.66 2.53 4.77 -0.21 -4.92 117.00 118.79 3iaq n LEU 722 Ca 0.02 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.62 3iaq n LEU 722 Cb 0.50 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.64 3iaq n LEU 722 CO 0.49 0.00 0.71 0.00 -1.33 0.00 0.00 177.39 177.26 3iaq n ALA 723 N -3.00 0.70 -2.94 -1.18 0.00 -1.26 -4.56 120.51 108.27 3iaq n ALA 723 Ca 0.00 0.09 -0.28 0.00 0.00 0.00 0.00 53.44 53.25 3iaq n ALA 723 Cb 0.00 -2.20 -0.16 0.00 0.00 0.00 0.00 19.45 17.09 3iaq n ALA 723 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3iaq s GLU 724 N -2.67 2.19 -0.30 0.00 2.12 -1.26 -2.02 118.70 116.75 3iaq s GLU 724 Ca 0.72 -0.72 -0.06 0.00 0.36 0.00 0.00 54.97 55.27 3iaq s GLU 724 Cb -0.44 -1.83 0.02 0.00 0.26 0.00 0.00 34.13 32.13 3iaq s GLU 724 CO 0.50 0.26 0.06 -0.80 -0.54 0.00 0.00 175.26 174.74 3iaq s ASN 725 N 0.06 5.04 0.41 -1.70 0.01 -0.31 -5.00 114.94 113.46 3iaq s ASN 725 Ca -0.07 -0.88 -0.24 0.00 -0.71 0.00 0.00 52.86 50.97 3iaq s ASN 725 Cb -0.13 -1.84 -0.09 0.00 0.41 0.00 0.00 41.25 39.60 3iaq s ASN 725 CO 0.04 -0.22 1.07 -0.76 -1.51 0.00 0.00 177.10 175.71 3iaq s LEU 726 N 1.44 4.11 -0.06 0.60 1.43 -1.26 0.36 118.68 125.29 3iaq s LEU 726 Ca 0.01 2.08 -0.30 0.00 -1.03 0.00 0.00 54.13 54.89 3iaq s LEU 726 Cb -0.18 -4.21 -0.02 0.00 0.03 0.00 0.00 46.19 41.81 3iaq s LEU 726 CO 0.01 -0.57 1.08 -0.55 0.23 0.00 0.00 176.35 176.55 3iaq s SER 727 N -1.54 7.19 -0.00 2.29 0.15 -1.26 -4.82 113.70 115.70 3iaq s SER 727 Ca 0.59 1.68 0.01 0.00 0.70 0.00 0.00 55.95 58.93 3iaq s SER 727 Cb -0.23 -2.56 -0.01 0.00 -1.71 0.00 0.00 66.02 61.51 3iaq s SER 727 CO 0.28 -0.46 0.04 1.33 1.20 0.00 0.00 173.24 175.63 3iaq n VAL 728 N 4.42 0.00 -2.81 4.45 0.24 -1.26 -5.01 118.33 118.36 3iaq n VAL 728 Ca 0.09 -0.30 -0.41 0.00 -2.04 0.00 0.00 64.34 61.68 3iaq n VAL 728 Cb 0.48 0.80 -0.05 0.00 -1.47 0.00 0.00 33.84 33.60 3iaq n VAL 728 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3iaq s THR 729 N -1.49 4.59 0.39 3.34 -4.23 -1.26 -5.05 115.64 111.93 3iaq s THR 729 Ca 0.00 1.93 -0.17 0.00 -1.18 0.00 0.00 61.69 62.28 3iaq s THR 729 Cb 0.01 -4.26 -0.09 0.00 1.34 0.00 0.00 72.50 69.50 3iaq s THR 729 CO 0.05 0.33 0.84 -0.76 -0.54 0.00 0.00 174.62 174.54 3iaq s LEU 730 N 0.02 3.94 0.90 4.79 1.02 -1.26 -5.05 118.68 123.03 3iaq s LEU 730 Ca 0.44 1.43 -0.11 0.00 0.02 0.00 0.00 54.13 55.92 3iaq s LEU 730 Cb -0.22 -4.28 0.14 0.00 0.02 0.00 0.00 46.19 41.85 3iaq s LEU 730 CO 0.28 -0.33 1.16 -2.84 0.02 0.00 0.00 176.35 174.64 3iaq s PRO 731 N -3.29 1.10 0.03 1.29 0.02 -1.26 -4.88 135.00 128.02 3iaq s PRO 731 Ca 0.57 1.61 -0.32 0.00 0.02 0.00 0.00 61.00 62.88 3iaq s PRO 731 Cb -0.10 -1.73 -0.11 0.00 0.02 0.00 0.00 34.50 32.58 3iaq s PRO 731 CO 0.19 -2.58 1.86 0.00 -0.33 0.00 0.00 177.00 176.14 3iaq n ALA 732 N -4.06 1.47 -1.95 -1.55 0.00 -1.26 -4.89 120.51 108.28 3iaq n ALA 732 Ca 0.12 0.29 -0.43 0.00 0.00 0.00 0.00 53.44 53.43 3iaq n ALA 732 Cb 0.52 -2.56 -0.03 0.00 0.00 0.00 0.00 19.45 17.38 3iaq n ALA 732 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iaq s ALA 733 N 3.46 2.83 0.90 0.00 0.00 -1.26 -4.96 121.76 122.74 3iaq s ALA 733 Ca 0.87 0.31 -0.12 0.00 0.00 0.00 0.00 51.96 53.02 3iaq s ALA 733 Cb -0.57 -4.03 0.13 0.00 0.00 0.00 0.00 23.12 18.66 3iaq s ALA 733 CO 0.44 -2.68 1.09 -1.54 0.00 0.00 0.00 175.76 173.07 3iaq s SER 734 N 6.43 3.43 -0.24 0.00 1.04 -1.26 -5.02 113.70 118.07 3iaq s SER 734 Ca 0.82 1.41 -0.11 0.00 0.48 0.00 0.00 55.95 58.55 3iaq s SER 734 Cb -0.24 -2.09 -0.16 0.00 0.10 0.00 0.00 66.02 63.64 3iaq s SER 734 CO 0.33 -2.66 -0.14 1.41 0.98 0.00 0.00 173.24 173.17 3iaq n HIS 735 N -3.89 0.34 -1.49 5.02 8.25 -1.26 -5.01 115.22 117.18 3iaq n HIS 735 Ca 0.07 0.12 -0.29 0.00 -0.26 0.00 0.00 57.72 57.35 3iaq n HIS 735 Cb 0.56 -1.04 0.12 0.00 1.12 0.00 0.00 29.99 30.75 3iaq n HIS 735 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3iaq s ALA 736 N -2.49 1.87 -0.04 -1.41 0.00 -1.26 -5.09 121.76 113.34 3iaq s ALA 736 Ca -0.34 -0.36 -0.00 0.00 0.00 0.00 0.00 51.96 51.26 3iaq s ALA 736 Cb 0.11 -3.08 0.03 0.00 0.00 0.00 0.00 23.12 20.18 3iaq s ALA 736 CO 0.56 -2.13 0.01 -1.50 0.00 0.00 0.00 175.76 172.71 3iaq s ILE 737 N -3.18 0.16 0.27 0.00 1.10 -1.26 -4.33 121.20 113.95 3iaq s ILE 737 Ca 0.63 0.16 -0.30 0.00 -0.51 0.00 0.00 60.65 60.63 3iaq s ILE 737 Cb -0.15 -0.30 -0.10 0.00 0.15 0.00 0.00 42.46 42.06 3iaq s ILE 737 CO 0.54 0.17 1.32 -2.84 -2.11 0.00 0.00 174.94 172.03 3iaq s PRO 738 N 1.41 4.37 -0.17 3.50 0.02 -1.26 -4.90 135.00 137.97 3iaq s PRO 738 Ca -0.04 2.15 -0.04 0.00 0.02 0.00 0.00 61.00 63.08 3iaq s PRO 738 Cb -0.13 -3.13 -0.03 0.00 0.02 0.00 0.00 34.50 31.23 3iaq s PRO 738 CO -0.03 -0.23 -0.02 -1.01 -0.33 0.00 0.00 177.00 175.38 3iaq s HIS 739 N -0.48 3.03 -0.07 6.54 3.76 -0.43 -4.78 115.29 122.86 3iaq s HIS 739 Ca 0.53 -0.36 -0.15 0.00 -0.15 0.00 0.00 55.06 54.93 3iaq s HIS 739 Cb -0.38 -2.00 -0.05 0.00 1.11 0.00 0.00 32.58 31.25 3iaq s HIS 739 CO 0.45 -0.11 0.38 -1.17 -0.85 0.00 0.00 174.74 173.44 3iaq s LEU 740 N 0.59 4.37 -0.24 0.89 2.96 -1.26 -1.44 118.68 124.56 3iaq s LEU 740 Ca -0.02 0.80 0.02 0.00 -0.22 0.00 0.00 54.13 54.71 3iaq s LEU 740 Cb -0.14 -2.53 0.05 0.00 0.50 0.00 0.00 46.19 44.06 3iaq s LEU 740 CO 0.02 0.21 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.25 3iaq s THR 741 N -0.35 2.27 0.03 3.68 2.01 0.12 -4.98 115.64 118.43 3iaq s THR 741 Ca 0.22 -1.40 -0.14 0.00 0.31 0.00 0.00 61.69 60.68 3iaq s THR 741 Cb -0.15 -2.23 -0.06 0.00 0.01 0.00 0.00 72.50 70.07 3iaq s THR 741 CO 0.10 0.12 0.43 -0.89 -0.69 0.00 0.00 174.62 173.69 3iaq s THR 742 N 1.18 5.00 0.08 -0.82 2.01 -1.26 -0.66 115.64 121.17 3iaq s THR 742 Ca -0.05 0.81 -0.12 0.00 0.31 0.00 0.00 61.69 62.65 3iaq s THR 742 Cb -0.18 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.62 3iaq s THR 742 CO -0.07 0.51 0.27 -0.55 -0.69 0.00 0.00 174.62 174.09 3iaq s SER 743 N -1.24 -0.04 0.26 3.53 0.15 -0.30 -5.00 113.70 111.06 3iaq s SER 743 Ca 0.27 -0.43 -0.03 0.00 0.70 0.00 0.00 55.95 56.46 3iaq s SER 743 Cb -0.16 0.37 0.52 0.00 -1.71 0.00 0.00 66.02 65.04 3iaq s SER 743 CO 0.15 -0.71 1.71 -0.08 1.20 0.00 0.00 173.24 175.50 3iaq h GLU 744 N 2.84 0.36 0.02 5.44 4.57 -2.02 -3.11 114.58 122.67 3iaq h GLU 744 Ca -0.33 -0.02 -0.31 0.00 -1.18 0.00 0.00 59.36 57.51 3iaq h GLU 744 Cb 1.21 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 29.67 3iaq h GLU 744 CO 0.51 0.24 -1.84 -0.12 -1.18 0.00 0.00 179.01 176.61 3iaq n MET 745 N -5.07 0.66 -3.92 1.92 1.56 -1.26 -4.79 117.12 106.22 3iaq n MET 745 Ca 0.16 0.26 -0.10 0.00 -0.27 0.00 0.00 57.70 57.74 3iaq n MET 745 Cb 0.48 -1.75 -0.12 0.00 2.15 0.00 0.00 33.22 33.99 3iaq n MET 745 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 3iaq s ASP 746 N -6.16 0.11 -0.21 6.12 1.01 -1.18 0.14 116.67 116.51 3iaq s ASP 746 Ca -0.08 -0.25 -0.08 0.00 0.71 0.00 0.00 52.55 52.85 3iaq s ASP 746 Cb 0.08 0.08 -0.04 0.00 1.01 0.00 0.00 42.92 44.05 3iaq s ASP 746 CO 0.81 -0.18 0.08 -0.36 0.21 0.00 0.00 175.17 175.74 3iaq s PHE 747 N -0.83 3.22 0.07 4.23 0.08 0.77 -1.15 117.98 124.37 3iaq s PHE 747 Ca -0.09 -0.01 0.09 0.00 0.12 0.00 0.00 56.93 57.04 3iaq s PHE 747 Cb -0.06 -2.16 -0.03 0.00 -0.57 0.00 0.00 43.02 40.21 3iaq s PHE 747 CO -0.00 0.01 -0.23 0.00 -0.10 0.00 0.00 175.22 174.89 3iaq s ILE 749 N -0.92 0.98 -0.04 0.00 1.09 -0.58 0.15 121.20 121.88 3iaq s ILE 749 Ca 0.10 -0.47 0.06 0.00 -1.10 0.00 0.00 60.65 59.23 3iaq s ILE 749 Cb -0.10 -0.86 -0.01 0.00 -1.06 0.00 0.00 42.46 40.44 3iaq s ILE 749 CO 0.03 0.29 -0.21 -1.61 -0.10 0.00 0.00 174.94 173.35 3iaq s GLU 750 N 0.10 1.98 -0.21 2.79 2.02 -0.52 -1.69 118.70 123.18 3iaq s GLU 750 Ca -0.02 -0.75 -0.05 0.00 0.02 0.00 0.00 54.97 54.17 3iaq s GLU 750 Cb -0.09 -1.77 0.10 0.00 0.10 0.00 0.00 34.13 32.48 3iaq s GLU 750 CO 0.01 0.36 0.36 -1.17 0.02 0.00 0.00 175.26 174.84 3iaq s LEU 751 N -0.20 -0.55 0.00 1.80 2.96 -0.68 -1.32 118.68 120.69 3iaq s LEU 751 Ca 0.00 0.54 0.00 0.00 -0.22 0.00 0.00 54.13 54.45 3iaq s LEU 751 Cb -0.11 1.09 0.00 0.00 0.50 0.00 0.00 46.19 47.67 3iaq s LEU 751 CO 0.02 -0.27 0.00 0.61 -1.32 0.00 0.00 176.35 175.39 3iaq n GLY 752 N 5.37 3.60 1.05 7.98 0.00 -1.26 -1.56 105.19 120.36 3iaq n GLY 752 Ca -0.06 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 45.99 3iaq n GLY 752 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3iaq n ASN 753 N 5.65 3.20 -4.77 1.61 6.94 -1.26 -4.93 115.26 121.71 3iaq n ASN 753 Ca 0.00 -1.99 -0.40 0.00 -0.02 0.00 0.00 54.58 52.18 3iaq n ASN 753 Cb 0.00 -0.13 -0.06 0.00 -2.36 0.00 0.00 39.78 37.24 3iaq n ASN 753 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3iaq s LYS 754 N -1.75 4.55 -0.07 -3.83 1.02 -0.60 -0.33 119.74 118.74 3iaq s LYS 754 Ca 0.34 1.14 -0.06 0.00 0.02 0.00 0.00 55.97 57.40 3iaq s LYS 754 Cb 0.21 -3.29 0.02 0.00 -0.52 0.00 0.00 37.83 34.25 3iaq s LYS 754 CO 0.31 0.48 0.18 0.50 -0.92 0.00 0.00 175.35 175.90 3iaq s ARG 755 N -0.80 0.22 -0.05 1.68 3.52 0.68 -1.68 118.95 122.52 3iaq s ARG 755 Ca 0.37 0.23 0.04 0.00 -0.13 0.00 0.00 55.73 56.24 3iaq s ARG 755 Cb -0.22 0.11 0.00 0.00 -1.56 0.00 0.00 34.95 33.27 3iaq s ARG 755 CO 0.25 -0.03 -0.16 -1.58 -0.81 0.00 0.00 175.30 172.97 3iaq s TRP 756 N 0.05 1.68 -0.14 5.12 0.51 -0.68 0.54 118.94 126.03 3iaq s TRP 756 Ca -0.00 -0.53 0.02 0.00 -2.12 0.00 0.00 56.10 53.47 3iaq s TRP 756 Cb -0.01 -1.15 0.01 0.00 -0.81 0.00 0.00 33.47 31.50 3iaq s TRP 756 CO 0.00 -0.20 -0.22 -1.14 -0.51 0.00 0.00 176.95 174.88 3iaq s GLN 757 N 0.20 3.03 -0.25 4.98 0.74 0.28 -1.53 119.66 127.11 3iaq s GLN 757 Ca -0.07 -0.85 -0.02 0.00 0.05 0.00 0.00 55.36 54.46 3iaq s GLN 757 Cb -0.13 -2.44 0.02 0.00 1.10 0.00 0.00 33.01 31.56 3iaq s GLN 757 CO 0.03 -0.01 -0.05 -0.06 -0.55 0.00 0.00 175.29 174.65 3iaq s PHE 758 N 0.81 3.05 -0.33 1.67 0.40 0.78 -1.35 117.98 123.01 3iaq s PHE 758 Ca -0.07 -1.43 -0.29 0.00 -0.60 0.00 0.00 56.93 54.54 3iaq s PHE 758 Cb -0.16 -2.08 0.02 0.00 0.51 0.00 0.00 43.02 41.31 3iaq s PHE 758 CO -0.02 -0.69 1.10 1.21 0.70 0.00 0.00 175.22 177.52 3iaq s ASN 759 N 1.36 6.88 0.00 1.36 3.84 -0.23 -0.16 114.94 127.98 3iaq s ASN 759 Ca 0.01 1.00 0.26 0.00 0.21 0.00 0.00 52.86 54.35 3iaq s ASN 759 Cb -0.16 -2.54 1.27 0.00 -0.55 0.00 0.00 41.25 39.26 3iaq s ASN 759 CO -0.04 -0.94 1.87 0.54 -2.79 0.00 0.00 177.10 175.74 3iaq n ARG 760 N 7.01 0.29 -0.06 0.43 1.74 0.12 0.80 116.66 126.99 3iaq n ARG 760 Ca 0.12 0.05 -0.22 0.00 -0.77 0.00 0.00 57.85 57.03 3iaq n ARG 760 Cb 0.47 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.29 3iaq n ARG 760 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3iaq n GLN 761 N -1.33 0.66 0.04 5.56 0.00 -1.26 -4.41 117.38 116.64 3iaq n GLN 761 Ca 0.11 0.38 -0.09 0.00 -0.00 0.00 0.00 57.00 57.40 3iaq n GLN 761 Cb 0.23 -1.69 -0.13 0.00 0.00 0.00 0.00 30.24 28.64 3iaq n GLN 761 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3iaq h SER 762 N -0.46 0.06 0.00 1.69 4.64 -1.91 -3.43 113.55 114.13 3iaq h SER 762 Ca -0.43 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3iaq h SER 762 Cb 1.69 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.77 3iaq h SER 762 CO -0.09 1.07 0.00 0.61 -0.87 0.00 0.00 176.83 177.55 3iaq n GLY 763 N 1.46 0.49 3.54 -0.77 0.00 0.24 -4.76 105.19 105.38 3iaq n GLY 763 Ca -0.07 -0.66 -0.26 0.00 0.00 0.00 0.00 46.02 45.02 3iaq n GLY 763 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iaq s PHE 764 N -2.00 2.54 -0.61 1.61 0.08 -1.16 -4.90 117.98 113.54 3iaq s PHE 764 Ca 0.00 -0.26 -0.27 0.00 0.12 0.00 0.00 56.93 56.52 3iaq s PHE 764 Cb 0.00 -1.22 -0.01 0.00 -0.57 0.00 0.00 43.02 41.21 3iaq s PHE 764 CO 0.00 0.53 1.75 -1.17 -0.10 0.00 0.00 175.22 176.24 3iaq s LEU 765 N -2.92 3.29 0.04 -0.37 2.96 -1.26 -1.07 118.68 119.36 3iaq s LEU 765 Ca 0.25 0.28 0.17 0.00 -0.22 0.00 0.00 54.13 54.61 3iaq s LEU 765 Cb -0.08 -2.62 -0.15 0.00 0.50 0.00 0.00 46.19 43.84 3iaq s LEU 765 CO 0.14 -2.23 0.76 -1.54 -1.32 0.00 0.00 176.35 172.16 3iaq n SER 766 N 11.99 0.79 -3.72 3.68 3.41 -0.46 -1.37 113.62 127.94 3iaq n SER 766 Ca 0.18 0.35 -0.12 0.00 -0.26 0.00 0.00 58.87 59.02 3iaq n SER 766 Cb 0.51 0.25 -0.07 0.00 -0.26 0.00 0.00 64.21 64.65 3iaq n SER 766 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3iaq s GLN 767 N -2.91 0.86 -0.00 4.33 2.00 -1.16 -4.27 119.66 118.50 3iaq s GLN 767 Ca -0.04 -0.49 0.01 0.00 -2.00 0.00 0.00 55.36 52.85 3iaq s GLN 767 Cb 0.09 0.37 -0.00 0.00 0.80 0.00 0.00 33.01 34.27 3iaq s GLN 767 CO 0.82 -0.28 -0.02 1.41 -0.50 0.00 0.00 175.29 176.71 3iaq s MET 768 N -2.63 0.17 0.02 1.67 1.75 -1.26 -0.56 119.30 118.46 3iaq s MET 768 Ca -0.04 -0.07 0.07 0.00 -1.25 0.00 0.00 55.69 54.40 3iaq s MET 768 Cb -0.01 -0.17 -0.02 0.00 2.84 0.00 0.00 34.83 37.47 3iaq s MET 768 CO -0.04 0.04 -0.22 -1.58 -0.65 0.00 0.00 175.02 172.57 3iaq s TRP 769 N -0.02 1.97 -0.26 4.11 0.51 0.19 0.09 118.94 125.54 3iaq s TRP 769 Ca 0.00 -0.38 0.01 0.00 -2.12 0.00 0.00 56.10 53.62 3iaq s TRP 769 Cb -0.01 -1.22 0.07 0.00 -0.81 0.00 0.00 33.47 31.50 3iaq s TRP 769 CO -0.00 0.04 -0.02 0.42 -0.51 0.00 0.00 176.95 176.88 3iaq s ILE 770 N -0.68 1.64 0.00 2.03 1.01 -0.67 -0.23 121.20 124.31 3iaq s ILE 770 Ca 0.09 -1.47 0.00 0.00 0.00 0.00 0.00 60.65 59.26 3iaq s ILE 770 Cb -0.09 -1.98 0.00 0.00 0.01 0.00 0.00 42.46 40.40 3iaq s ILE 770 CO 0.01 -0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.31 3iaq n GLY 771 N 4.60 2.50 0.18 6.18 0.00 0.56 -2.71 105.19 116.49 3iaq n GLY 771 Ca -0.08 -0.44 0.06 0.00 0.00 0.00 0.00 46.02 45.56 3iaq n GLY 771 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3iaq h ASP 772 N 7.60 0.00 -3.12 1.61 2.03 -1.96 -3.46 116.42 119.12 3iaq h ASP 772 Ca 0.00 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.75 3iaq h ASP 772 Cb 0.00 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 3iaq h ASP 772 CO 0.00 0.34 0.65 -0.75 -1.03 0.00 0.00 179.24 178.46 3iaq s LYS 773 N -3.23 4.38 0.33 4.15 2.47 -1.10 -5.03 119.74 121.71 3iaq s LYS 773 Ca 0.03 1.71 -0.14 0.00 -1.56 0.00 0.00 55.97 56.00 3iaq s LYS 773 Cb 0.08 -3.49 -0.09 0.00 -1.46 0.00 0.00 37.83 32.87 3iaq s LYS 773 CO 0.70 -0.38 0.74 -1.59 0.16 0.00 0.00 175.35 174.97 3iaq s LYS 774 N 1.84 3.97 -0.08 4.03 -2.85 -1.26 -1.67 119.74 123.73 3iaq s LYS 774 Ca 0.57 0.64 0.15 0.00 -1.00 0.00 0.00 55.97 56.34 3iaq s LYS 774 Cb -0.26 -2.43 -0.23 0.00 -2.06 0.00 0.00 37.83 32.85 3iaq s LYS 774 CO 0.25 0.14 0.23 1.04 0.10 0.00 0.00 175.35 177.10 3iaq n GLN 775 N -0.47 0.93 -4.78 1.78 1.13 0.11 -4.77 117.38 111.31 3iaq n GLN 775 Ca 0.03 -0.09 -0.31 0.00 -1.94 0.00 0.00 57.00 54.69 3iaq n GLN 775 Cb 0.53 -1.40 -0.13 0.00 0.11 0.00 0.00 30.24 29.35 3iaq n GLN 775 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3iaq s LEU 776 N -4.59 2.62 -0.05 1.08 1.43 -1.26 -1.50 118.68 116.41 3iaq s LEU 776 Ca -0.07 -0.35 0.15 0.00 -1.03 0.00 0.00 54.13 52.83 3iaq s LEU 776 Cb 0.08 -1.53 -0.22 0.00 0.03 0.00 0.00 46.19 44.55 3iaq s LEU 776 CO 0.67 0.29 0.27 0.18 0.23 0.00 0.00 176.35 177.99 3iaq n LEU 777 N 1.86 0.00 -3.97 1.79 4.77 0.13 -4.77 117.00 116.81 3iaq n LEU 777 Ca -0.16 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.64 3iaq n LEU 777 Cb 0.52 0.08 -0.15 0.00 -2.33 0.00 0.00 43.42 41.54 3iaq n LEU 777 CO 0.26 0.08 -0.42 -0.89 -1.33 0.00 0.00 177.39 175.09 3iaq s THR 778 N -2.89 0.58 0.71 -5.08 2.01 -1.10 -4.96 115.64 104.90 3iaq s THR 778 Ca -0.06 -0.27 -0.16 0.00 0.31 0.00 0.00 61.69 61.51 3iaq s THR 778 Cb 0.08 -0.51 -0.01 0.00 0.01 0.00 0.00 72.50 72.07 3iaq s THR 778 CO 0.62 0.18 0.92 -2.65 -0.69 0.00 0.00 174.62 173.00 3iaq n PRO 779 N 3.19 0.53 -2.41 4.92 -0.02 -1.26 -3.52 135.00 136.44 3iaq n PRO 779 Ca -0.16 0.23 -0.43 0.00 -2.02 0.00 0.00 63.50 61.12 3iaq n PRO 779 Cb 0.56 -2.17 -0.02 0.00 -0.02 0.00 0.00 33.50 31.84 3iaq n PRO 779 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3iaq s LEU 780 N -2.65 3.80 0.28 2.45 2.96 -0.47 -4.52 118.68 120.52 3iaq s LEU 780 Ca 0.73 1.08 0.08 0.00 -0.22 0.00 0.00 54.13 55.80 3iaq s LEU 780 Cb -0.35 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.74 3iaq s LEU 780 CO 0.51 -1.18 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.13 3iaq s ARG 781 N 4.37 1.57 0.28 1.98 0.52 -0.63 -4.07 118.95 122.98 3iaq s ARG 781 Ca 0.57 -1.78 -0.29 0.00 -0.52 0.00 0.00 55.73 53.71 3iaq s ARG 781 Cb -0.15 -1.32 -0.10 0.00 0.52 0.00 0.00 34.95 33.90 3iaq s ARG 781 CO 0.26 0.12 1.11 -0.51 0.02 0.00 0.00 175.30 176.30 3iaq s ASP 782 N -3.46 7.24 -0.09 0.23 1.11 -1.26 -0.80 116.67 119.63 3iaq s ASP 782 Ca 0.29 2.30 0.03 0.00 0.18 0.00 0.00 52.55 55.34 3iaq s ASP 782 Cb 0.02 -2.63 0.01 0.00 1.07 0.00 0.00 42.92 41.39 3iaq s ASP 782 CO 0.12 -0.17 -0.18 -1.58 1.18 0.00 0.00 175.17 174.54 3iaq s GLN 783 N -1.46 2.46 0.00 8.23 0.74 0.50 -4.83 119.66 125.31 3iaq s GLN 783 Ca 0.45 -0.67 0.00 0.00 0.05 0.00 0.00 55.36 55.19 3iaq s GLN 783 Cb -0.32 -1.95 0.00 0.00 1.10 0.00 0.00 33.01 31.83 3iaq s GLN 783 CO 0.42 0.07 0.45 1.19 -0.55 0.00 0.00 175.29 176.86 3iaq n PHE 784 N 3.80 0.00 -4.43 1.67 3.72 -1.26 -2.23 117.46 118.73 3iaq n PHE 784 Ca -0.20 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 56.96 3iaq n PHE 784 Cb 0.52 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.95 3iaq n PHE 784 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3iaq s THR 785 N -0.09 2.31 0.10 4.37 -4.23 -1.26 -2.90 115.64 113.94 3iaq s THR 785 Ca 0.00 -2.24 0.06 0.00 -1.18 0.00 0.00 61.69 58.33 3iaq s THR 785 Cb 0.00 -2.18 -0.03 0.00 1.34 0.00 0.00 72.50 71.62 3iaq s THR 785 CO 0.00 -0.33 -0.15 0.00 -0.54 0.00 0.00 174.62 173.60 3iaq s ARG 786 N -3.22 0.94 -0.10 3.99 1.70 -1.26 -4.78 118.95 116.22 3iaq s ARG 786 Ca 0.25 -1.12 -0.29 0.00 -0.47 0.00 0.00 55.73 54.11 3iaq s ARG 786 Cb -0.05 -0.90 -0.07 0.00 -0.57 0.00 0.00 34.95 33.36 3iaq s ARG 786 CO 0.12 0.19 2.07 0.00 -1.08 0.00 0.00 175.30 176.59 3iaq s ALA 787 N -1.72 3.15 0.18 7.88 0.00 -1.26 -4.84 121.76 125.15 3iaq s ALA 787 Ca 0.04 1.01 -0.32 0.00 0.00 0.00 0.00 51.96 52.69 3iaq s ALA 787 Cb -0.07 -3.96 -0.12 0.00 0.00 0.00 0.00 23.12 18.97 3iaq s ALA 787 CO 0.03 -2.19 1.73 -0.35 0.00 0.00 0.00 175.76 174.98 3iaq n PRO 788 N 8.13 2.68 -1.44 0.00 -0.04 -1.26 -1.06 135.00 142.01 3iaq n PRO 788 Ca 0.25 0.97 -0.30 0.00 -0.04 0.00 0.00 63.50 64.37 3iaq n PRO 788 Cb 0.43 -2.82 0.09 0.00 -0.04 0.00 0.00 33.50 31.17 3iaq n PRO 788 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3iaq s LEU 789 N 1.50 2.66 0.38 1.53 1.43 -1.26 -4.65 118.68 120.26 3iaq s LEU 789 Ca 0.77 1.46 0.13 0.00 -1.03 0.00 0.00 54.13 55.46 3iaq s LEU 789 Cb -0.53 -4.08 0.95 0.00 0.03 0.00 0.00 46.19 42.56 3iaq s LEU 789 CO 0.34 -2.04 1.84 0.44 0.23 0.00 0.00 176.35 177.16 3iaq h ASP 790 N -1.14 0.55 0.94 2.29 3.32 -1.87 0.25 116.42 120.76 3iaq h ASP 790 Ca -0.47 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.64 3iaq h ASP 790 Cb 1.26 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3iaq h ASP 790 CO 0.57 0.23 0.00 0.59 -1.72 0.00 0.00 179.24 178.91 3iaq n ASN 791 N -4.57 0.52 0.04 6.45 3.02 -1.26 -1.88 115.26 117.57 3iaq n ASN 791 Ca 0.20 0.59 -0.10 0.00 -0.03 0.00 0.00 54.58 55.24 3iaq n ASN 791 Cb 0.61 -0.72 -0.13 0.00 -0.61 0.00 0.00 39.78 38.94 3iaq n ASN 791 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 3iaq h ASP 792 N 0.00 0.09 0.02 6.41 3.32 -0.83 -3.40 116.42 122.03 3iaq h ASP 792 Ca 0.00 -0.13 -0.19 0.00 0.02 0.00 0.00 57.03 56.73 3iaq h ASP 792 Cb 0.47 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 3iaq h ASP 792 CO 0.00 1.11 -1.04 0.40 -1.72 0.00 0.00 179.24 177.99 3iaq h ILE 793 N 0.02 1.11 0.00 0.35 2.04 -1.27 -1.12 117.51 118.64 3iaq h ILE 793 Ca -0.15 -2.25 0.00 0.00 1.00 0.00 0.00 64.86 63.46 3iaq h ILE 793 Cb 1.90 2.55 0.00 0.00 -0.74 0.00 0.00 36.82 40.53 3iaq h ILE 793 CO 0.12 0.45 0.00 0.61 0.00 0.00 0.00 178.15 179.33 3iaq n GLY 794 N 1.53 2.42 0.03 5.37 0.00 -0.79 -2.60 105.19 111.15 3iaq n GLY 794 Ca -0.26 -0.46 0.13 0.00 0.00 0.00 0.00 46.02 45.43 3iaq n GLY 794 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3iaq n VAL 795 N 0.00 0.17 -1.64 1.61 0.24 -1.26 -4.90 118.33 112.56 3iaq n VAL 795 Ca 0.00 -0.09 -0.49 0.00 -2.04 0.00 0.00 64.34 61.72 3iaq n VAL 795 Cb 0.00 -0.39 -0.05 0.00 -1.47 0.00 0.00 33.84 31.93 3iaq n VAL 795 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3iaq n SER 796 N -1.74 2.50 -4.32 -1.34 2.88 -1.07 -4.86 113.62 105.68 3iaq n SER 796 Ca 0.06 1.10 -0.17 0.00 -1.33 0.00 0.00 58.87 58.53 3iaq n SER 796 Cb 0.37 -1.33 -0.10 0.00 -0.75 0.00 0.00 64.21 62.40 3iaq n SER 796 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3iaq s GLU 797 N 0.84 1.39 0.17 -1.46 2.02 -0.39 -4.89 118.70 116.38 3iaq s GLU 797 Ca 0.82 -1.74 -0.11 0.00 0.02 0.00 0.00 54.97 53.95 3iaq s GLU 797 Cb -0.80 -0.34 0.06 0.00 0.10 0.00 0.00 34.13 33.16 3iaq s GLU 797 CO 0.42 -0.25 1.68 0.00 0.02 0.00 0.00 175.26 177.12 3iaq h ALA 798 N 2.40 0.76 0.00 5.21 0.00 -2.00 -2.54 119.26 123.10 3iaq h ALA 798 Ca -0.38 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 3iaq h ALA 798 Cb 1.24 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3iaq h ALA 798 CO 0.62 0.47 -0.02 1.79 0.00 0.00 0.00 179.25 182.11 3iaq h THR 799 N 0.83 0.05 -1.71 0.00 1.35 -2.00 -3.40 112.91 108.05 3iaq h THR 799 Ca 0.18 -0.77 -0.29 0.00 -0.55 0.00 0.00 66.41 64.99 3iaq h THR 799 Cb 0.36 1.73 -0.28 0.00 -1.73 0.00 0.00 68.15 68.22 3iaq h THR 799 CO 0.00 0.02 -0.62 -0.60 -0.25 0.00 0.00 175.52 174.08 3iaq s ARG 800 N -3.48 0.67 0.19 4.72 3.52 -1.08 -5.14 118.95 118.35 3iaq s ARG 800 Ca 0.03 -0.67 -0.30 0.00 -0.13 0.00 0.00 55.73 54.66 3iaq s ARG 800 Cb 0.08 -0.51 -0.09 0.00 -1.56 0.00 0.00 34.95 32.87 3iaq s ARG 800 CO 0.60 -1.19 1.33 0.42 -0.81 0.00 0.00 175.30 175.66 3iaq s ILE 801 N 1.58 3.18 -0.60 4.11 -1.09 -0.98 -1.26 121.20 126.14 3iaq s ILE 801 Ca 0.16 0.95 -0.12 0.00 -2.23 0.00 0.00 60.65 59.41 3iaq s ILE 801 Cb -0.12 -3.61 0.15 0.00 -1.58 0.00 0.00 42.46 37.30 3iaq s ILE 801 CO -0.06 0.13 0.52 -0.62 -1.23 0.00 0.00 174.94 173.68 3iaq s ASP 802 N 0.47 6.09 0.61 3.58 2.15 -1.26 -4.89 116.67 123.43 3iaq s ASP 802 Ca 0.58 -2.18 0.37 0.00 0.43 0.00 0.00 52.55 51.75 3iaq s ASP 802 Cb -0.37 -2.11 1.99 0.00 -0.30 0.00 0.00 42.92 42.13 3iaq s ASP 802 CO 0.37 -0.68 2.24 1.55 -0.17 0.00 0.00 175.17 178.48 3iaq h PRO 803 N 8.26 0.00 0.00 4.34 0.13 -1.96 -1.59 132.00 141.18 3iaq h PRO 803 Ca -0.13 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.90 3iaq h PRO 803 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 3iaq h PRO 803 CO 0.87 0.02 -0.45 -0.97 -0.23 0.00 0.00 178.00 177.25 3iaq h ASN 804 N 0.00 0.00 -3.99 1.44 -1.24 -1.96 -3.35 115.58 106.47 3iaq h ASN 804 Ca -0.00 0.00 -0.54 0.00 0.71 0.00 0.00 56.30 56.47 3iaq h ASN 804 Cb 0.14 0.00 0.11 0.00 0.73 0.00 0.00 38.32 39.31 3iaq h ASN 804 CO 0.00 0.45 0.66 0.00 -1.29 0.00 0.00 177.43 177.26 3iaq s ALA 805 N -3.46 3.18 0.23 1.57 0.00 -0.60 -4.72 121.76 117.95 3iaq s ALA 805 Ca 0.01 1.39 -0.06 0.00 0.00 0.00 0.00 51.96 53.29 3iaq s ALA 805 Cb 0.11 -3.56 0.36 0.00 0.00 0.00 0.00 23.12 20.02 3iaq s ALA 805 CO 0.71 -1.13 1.77 -1.49 0.00 0.00 0.00 175.76 175.62 3iaq h TRP 806 N 2.26 0.63 -0.91 0.00 4.06 -1.83 -1.75 115.95 118.41 3iaq h TRP 806 Ca -0.51 0.03 0.02 0.00 2.06 0.00 0.00 58.89 60.50 3iaq h TRP 806 Cb 1.27 -0.17 -0.05 0.00 -1.00 0.00 0.00 29.16 29.20 3iaq h TRP 806 CO 0.50 0.21 0.60 -0.24 -3.56 0.00 0.00 178.44 175.95 3iaq h VAL 807 N 0.59 1.19 -0.13 1.49 3.04 -1.54 -2.16 116.25 118.72 3iaq h VAL 807 Ca 0.36 -0.41 -0.18 0.00 -1.01 0.00 0.00 66.70 65.46 3iaq h VAL 807 Cb 0.41 -0.10 -0.00 0.00 -2.01 0.00 0.00 31.29 29.58 3iaq h VAL 807 CO -0.29 0.22 -0.67 -0.33 -1.01 0.00 0.00 177.57 175.49 3iaq h GLU 808 N 1.18 0.52 -0.36 4.17 4.39 -1.64 -0.35 114.58 122.51 3iaq h GLU 808 Ca 0.35 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3iaq h GLU 808 Cb -0.06 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 3iaq h GLU 808 CO -0.10 1.01 0.23 0.00 -1.16 0.00 0.00 179.01 178.99 3iaq h ARG 809 N 0.37 0.47 0.09 2.33 3.08 -1.06 0.15 114.38 119.82 3iaq h ARG 809 Ca -0.02 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 3iaq h ARG 809 Cb 1.24 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.19 3iaq h ARG 809 CO 0.12 0.33 -0.04 -1.49 -1.07 0.00 0.00 179.97 177.82 3iaq h TRP 810 N 0.48 -0.12 -0.40 3.04 6.55 -1.28 -1.67 115.95 122.55 3iaq h TRP 810 Ca 0.13 -0.00 0.08 0.00 0.95 0.00 0.00 58.89 60.05 3iaq h TRP 810 Cb -0.03 0.04 -0.09 0.00 -0.86 0.00 0.00 29.16 28.22 3iaq h TRP 810 CO -0.05 -0.01 -0.20 0.87 -1.05 0.00 0.00 178.44 178.00 3iaq h LYS 811 N -0.19 -0.12 -0.31 0.49 1.57 -0.81 -0.90 116.57 116.29 3iaq h LYS 811 Ca -0.01 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 3iaq h LYS 811 Cb 0.16 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 3iaq h LYS 811 CO 0.02 -0.08 -0.16 0.00 -0.57 0.00 0.00 179.45 178.66 3iaq h ALA 812 N 1.13 1.15 0.00 3.86 0.00 -0.65 -1.40 119.26 123.35 3iaq h ALA 812 Ca 0.20 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3iaq h ALA 812 Cb 0.43 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3iaq h ALA 812 CO -0.48 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.30 3iaq n ALA 813 N -2.48 2.15 -0.97 0.00 0.00 -0.64 -4.90 120.51 113.67 3iaq n ALA 813 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3iaq n ALA 813 Cb 0.35 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3iaq n ALA 813 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iaq n GLY 814 N 0.85 0.41 0.36 0.00 0.00 -0.44 -4.80 105.19 101.58 3iaq n GLY 814 Ca 0.08 -0.93 0.11 0.00 0.00 0.00 0.00 46.02 45.29 3iaq n GLY 814 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3iaq h HIS 815 N 0.00 0.56 0.00 1.61 3.86 -1.52 -1.26 115.15 118.40 3iaq h HIS 815 Ca 0.00 0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.12 3iaq h HIS 815 Cb 0.00 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 3iaq h HIS 815 CO 0.00 0.26 -0.61 1.88 0.86 0.00 0.00 177.93 180.32 3iaq h TYR 816 N 0.52 0.00 0.00 2.45 0.05 -1.87 -3.33 116.97 114.79 3iaq h TYR 816 Ca 0.32 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.09 3iaq h TYR 816 Cb 0.55 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.28 3iaq h TYR 816 CO -0.00 0.49 -0.19 0.00 -1.05 0.00 0.00 178.16 177.40 3iaq n GLN 817 N -3.17 1.27 -2.40 4.88 10.64 -1.06 -5.04 117.38 122.50 3iaq n GLN 817 Ca 0.01 -2.69 -0.40 0.00 -1.83 0.00 0.00 57.00 52.09 3iaq n GLN 817 Cb 0.74 -1.44 -0.04 0.00 -0.86 0.00 0.00 30.24 28.64 3iaq n GLN 817 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3iaq s ALA 818 N -2.76 3.40 -0.01 2.61 0.00 -0.50 -4.94 121.76 119.57 3iaq s ALA 818 Ca 0.32 0.96 0.05 0.00 0.00 0.00 0.00 51.96 53.29 3iaq s ALA 818 Cb 0.29 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 3iaq s ALA 818 CO -0.00 -0.27 -0.14 -1.21 0.00 0.00 0.00 175.76 174.14 3iaq s GLU 819 N -1.59 2.37 -0.85 0.00 2.02 -1.17 -4.86 118.70 114.62 3iaq s GLU 819 Ca 0.46 -0.80 -0.25 0.00 0.02 0.00 0.00 54.97 54.40 3iaq s GLU 819 Cb -0.33 -2.35 0.04 0.00 0.10 0.00 0.00 34.13 31.59 3iaq s GLU 819 CO 0.43 0.59 1.36 0.00 0.02 0.00 0.00 175.26 177.66 3iaq s ALA 820 N -0.86 2.71 0.02 5.21 0.00 -1.26 -3.00 121.76 124.58 3iaq s ALA 820 Ca 0.14 -1.71 -0.30 0.00 0.00 0.00 0.00 51.96 50.09 3iaq s ALA 820 Cb -0.11 -4.37 -0.04 0.00 0.00 0.00 0.00 23.12 18.60 3iaq s ALA 820 CO 0.04 -3.44 1.12 0.00 0.00 0.00 0.00 175.76 173.47 3iaq s ALA 821 N 5.54 3.32 -0.22 0.00 0.00 -0.40 -4.90 121.76 125.10 3iaq s ALA 821 Ca 0.40 0.70 -0.26 0.00 0.00 0.00 0.00 51.96 52.80 3iaq s ALA 821 Cb -0.05 -3.42 -0.00 0.00 0.00 0.00 0.00 23.12 19.65 3iaq s ALA 821 CO 0.05 -0.40 0.89 -1.17 0.00 0.00 0.00 175.76 175.13 3iaq s LEU 822 N 1.20 4.10 -0.17 0.00 2.96 -1.26 -1.13 118.68 124.38 3iaq s LEU 822 Ca 0.56 1.16 0.04 0.00 -0.22 0.00 0.00 54.13 55.66 3iaq s LEU 822 Cb -0.26 -3.30 -0.22 0.00 0.50 0.00 0.00 46.19 42.91 3iaq s LEU 822 CO 0.28 -0.54 0.17 0.18 -1.32 0.00 0.00 176.35 175.12 3iaq n LEU 823 N 5.95 2.00 -3.67 -0.68 4.77 0.94 -4.97 117.00 121.33 3iaq n LEU 823 Ca 0.07 0.09 -0.14 0.00 -0.03 0.00 0.00 56.01 56.00 3iaq n LEU 823 Cb 0.47 -0.55 -0.08 0.00 -2.33 0.00 0.00 43.42 40.93 3iaq n LEU 823 CO 0.49 0.74 0.22 -1.58 -1.33 0.00 0.00 177.39 175.93 3iaq s GLN 824 N -2.54 0.71 -0.31 3.23 0.74 -0.99 -4.94 119.66 115.56 3iaq s GLN 824 Ca -0.21 0.47 0.05 0.00 0.05 0.00 0.00 55.36 55.72 3iaq s GLN 824 Cb 0.08 0.34 0.19 0.00 1.10 0.00 0.00 33.01 34.71 3iaq s GLN 824 CO 0.73 -0.14 0.55 0.00 -0.55 0.00 0.00 175.29 175.88 3iaq s THR 826 N 2.61 1.86 -0.09 0.00 -4.23 -0.03 -4.99 115.64 110.77 3iaq s THR 826 Ca 0.11 -1.46 0.03 0.00 -1.18 0.00 0.00 61.69 59.18 3iaq s THR 826 Cb -0.10 -1.65 -0.01 0.00 1.34 0.00 0.00 72.50 72.08 3iaq s THR 826 CO -0.24 0.10 -0.18 0.00 -0.54 0.00 0.00 174.62 173.76 3iaq s ALA 827 N -0.99 2.45 0.01 3.99 0.00 -1.26 -1.16 121.76 124.81 3iaq s ALA 827 Ca 0.09 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 51.14 3iaq s ALA 827 Cb -0.10 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 22.04 3iaq s ALA 827 CO 0.04 0.37 -0.15 -0.51 0.00 0.00 0.00 175.76 175.50 3iaq s ASP 828 N -0.03 1.82 -0.23 0.00 1.01 0.29 -4.98 116.67 114.54 3iaq s ASP 828 Ca -0.05 -0.37 -0.09 0.00 0.71 0.00 0.00 52.55 52.75 3iaq s ASP 828 Cb -0.14 -0.17 -0.04 0.00 1.01 0.00 0.00 42.92 43.58 3iaq s ASP 828 CO 0.04 0.13 0.13 -0.89 0.21 0.00 0.00 175.17 174.79 3iaq s THR 829 N -0.58 5.07 0.53 -1.27 2.01 -1.26 0.90 115.64 121.04 3iaq s THR 829 Ca 0.05 0.08 0.09 0.00 0.31 0.00 0.00 61.69 62.21 3iaq s THR 829 Cb -0.07 -3.36 0.09 0.00 0.01 0.00 0.00 72.50 69.17 3iaq s THR 829 CO 0.00 0.36 0.73 0.18 -0.69 0.00 0.00 174.62 175.20 3iaq n LEU 830 N 4.29 0.00 -0.07 4.42 4.77 0.26 -4.97 117.00 125.70 3iaq n LEU 830 Ca -0.15 -2.28 -0.00 0.00 -0.03 0.00 0.00 56.01 53.54 3iaq n LEU 830 Cb 0.52 -0.38 0.27 0.00 -2.33 0.00 0.00 43.42 41.50 3iaq n LEU 830 CO 0.34 -0.69 1.01 0.00 -1.33 0.00 0.00 177.39 176.72 3iaq h ALA 831 N 0.15 1.37 0.00 -1.18 0.00 -2.03 -3.31 119.26 114.27 3iaq h ALA 831 Ca -0.25 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3iaq h ALA 831 Cb 1.14 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3iaq h ALA 831 CO 0.35 0.46 -0.04 -0.40 0.00 0.00 0.00 179.25 179.62 3iaq n ASP 832 N -4.32 0.71 -3.79 0.00 5.75 -1.26 -5.07 116.55 108.57 3iaq n ASP 832 Ca 0.03 -1.48 -0.09 0.00 -0.01 0.00 0.00 54.79 53.24 3iaq n ASP 832 Cb 0.19 -0.04 -0.03 0.00 -1.03 0.00 0.00 41.12 40.21 3iaq n ASP 832 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3iaq s ALA 833 N -0.43 -1.01 -0.09 2.12 0.00 -1.25 -2.46 121.76 118.65 3iaq s ALA 833 Ca 0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 51.96 51.67 3iaq s ALA 833 Cb 0.01 0.89 -0.03 0.00 0.00 0.00 0.00 23.12 23.99 3iaq s ALA 833 CO 0.00 -0.90 0.00 0.08 0.00 0.00 0.00 175.76 174.94 3iaq s VAL 834 N -3.90 4.33 -0.27 0.00 1.01 -0.65 0.88 120.40 121.81 3iaq s VAL 834 Ca 0.11 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 61.88 3iaq s VAL 834 Cb -0.03 -2.83 0.06 0.00 0.00 0.00 0.00 36.38 33.59 3iaq s VAL 834 CO 0.02 0.60 -0.10 -0.22 0.00 0.00 0.00 175.10 175.40 3iaq s LEU 835 N -0.79 3.55 -0.33 3.92 2.96 0.26 -2.11 118.68 126.13 3iaq s LEU 835 Ca 0.12 -1.44 -0.14 0.00 -0.22 0.00 0.00 54.13 52.45 3iaq s LEU 835 Cb -0.11 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 3iaq s LEU 835 CO 0.02 -0.20 0.30 -0.63 -1.32 0.00 0.00 176.35 174.52 3iaq s ILE 836 N 1.09 5.22 -0.18 6.68 -1.09 0.17 -0.55 121.20 132.55 3iaq s ILE 836 Ca -0.08 0.02 -0.03 0.00 -2.23 0.00 0.00 60.65 58.33 3iaq s ILE 836 Cb -0.20 -3.75 -0.02 0.00 -1.58 0.00 0.00 42.46 36.92 3iaq s ILE 836 CO -0.05 -0.01 -0.05 -0.89 -1.23 0.00 0.00 174.94 172.72 3iaq s THR 837 N 1.90 3.62 0.29 2.92 2.01 -0.30 0.63 115.64 126.71 3iaq s THR 837 Ca 0.10 -0.44 0.06 0.00 0.31 0.00 0.00 61.69 61.72 3iaq s THR 837 Cb -0.17 -2.60 -0.06 0.00 0.01 0.00 0.00 72.50 69.68 3iaq s THR 837 CO 0.11 0.47 -0.03 0.42 -0.69 0.00 0.00 174.62 174.89 3iaq s THR 838 N 0.79 1.56 -0.19 -0.82 -4.23 -0.10 -0.85 115.64 111.81 3iaq s THR 838 Ca -0.02 -2.09 -0.08 0.00 -1.18 0.00 0.00 61.69 58.32 3iaq s THR 838 Cb -0.15 -2.54 0.08 0.00 1.34 0.00 0.00 72.50 71.24 3iaq s THR 838 CO 0.02 -0.23 0.42 0.00 -0.54 0.00 0.00 174.62 174.29 3iaq s ALA 839 N -3.06 -1.13 0.03 3.99 0.00 -0.35 -1.59 121.76 119.65 3iaq s ALA 839 Ca 0.31 1.54 0.07 0.00 0.00 0.00 0.00 51.96 53.88 3iaq s ALA 839 Cb 0.05 -1.18 -0.02 0.00 0.00 0.00 0.00 23.12 21.97 3iaq s ALA 839 CO 0.13 -0.56 -0.22 -1.01 0.00 0.00 0.00 175.76 174.10 3iaq s HIS 840 N 2.12 1.93 -0.12 0.00 3.76 0.29 -0.04 115.29 123.24 3iaq s HIS 840 Ca -0.05 -0.38 0.02 0.00 -0.15 0.00 0.00 55.06 54.50 3iaq s HIS 840 Cb -0.10 -1.18 -0.01 0.00 1.11 0.00 0.00 32.58 32.40 3iaq s HIS 840 CO -0.13 0.06 -0.18 0.00 -0.85 0.00 0.00 174.74 173.64 3iaq s ALA 841 N -0.72 2.41 -0.25 -1.40 0.00 -0.29 -0.20 121.76 121.31 3iaq s ALA 841 Ca 0.08 -0.93 -0.11 0.00 0.00 0.00 0.00 51.96 51.00 3iaq s ALA 841 Cb -0.09 -1.02 -0.05 0.00 0.00 0.00 0.00 23.12 21.96 3iaq s ALA 841 CO 0.01 0.27 0.20 -1.58 0.00 0.00 0.00 175.76 174.66 3iaq s TRP 842 N 0.34 3.29 -0.03 0.00 0.51 0.15 -1.27 118.94 121.94 3iaq s TRP 842 Ca -0.15 0.25 0.02 0.00 -2.12 0.00 0.00 56.10 54.11 3iaq s TRP 842 Cb -0.17 -2.34 0.00 0.00 -0.81 0.00 0.00 33.47 30.16 3iaq s TRP 842 CO 0.07 -0.01 -0.09 -0.65 -0.51 0.00 0.00 176.95 175.76 3iaq s GLN 843 N 1.31 0.96 -0.12 4.98 -0.21 -1.16 -0.17 119.66 125.25 3iaq s GLN 843 Ca 0.09 -0.29 0.02 0.00 0.02 0.00 0.00 55.36 55.20 3iaq s GLN 843 Cb -0.14 -0.90 0.02 0.00 1.00 0.00 0.00 33.01 32.98 3iaq s GLN 843 CO 0.07 0.09 -0.15 -1.58 -2.12 0.00 0.00 175.29 171.60 3iaq s HIS 844 N 0.26 2.04 -1.50 0.91 2.46 -0.57 -3.05 115.29 115.85 3iaq s HIS 844 Ca -0.04 -1.00 -0.01 0.00 0.47 0.00 0.00 55.06 54.49 3iaq s HIS 844 Cb -0.09 -1.47 0.00 0.00 -0.13 0.00 0.00 32.58 30.89 3iaq s HIS 844 CO 0.01 -0.52 0.14 1.04 -2.47 0.00 0.00 174.74 172.94 3iaq n GLN 845 N 4.29 -1.65 -0.98 2.88 6.02 -1.26 -0.84 117.38 125.83 3iaq n GLN 845 Ca -0.19 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3iaq n GLN 845 Cb 0.51 -3.86 0.00 0.00 1.02 0.00 0.00 30.24 27.91 3iaq n GLN 845 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iaq n GLY 846 N -2.39 0.85 3.58 1.08 0.00 -1.26 -5.01 105.19 102.03 3iaq n GLY 846 Ca -0.32 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.34 3iaq n GLY 846 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iaq s LYS 847 N -0.02 3.90 -0.45 1.61 2.47 -0.02 -5.06 119.74 122.18 3iaq s LYS 847 Ca 0.00 -0.36 -0.26 0.00 -1.56 0.00 0.00 55.97 53.79 3iaq s LYS 847 Cb 0.00 -3.41 0.03 0.00 -1.46 0.00 0.00 37.83 32.98 3iaq s LYS 847 CO 0.00 -0.00 0.95 0.99 0.16 0.00 0.00 175.35 177.45 3iaq s THR 848 N 1.17 4.46 -0.16 3.43 2.01 -1.26 -1.51 115.64 123.78 3iaq s THR 848 Ca 0.06 0.88 -0.19 0.00 0.31 0.00 0.00 61.69 62.75 3iaq s THR 848 Cb -0.14 -4.43 -0.16 0.00 0.01 0.00 0.00 72.50 67.78 3iaq s THR 848 CO 0.05 -0.80 0.28 -0.07 -0.69 0.00 0.00 174.62 173.38 3iaq h LEU 849 N 10.55 0.00 -8.63 4.42 3.38 -0.95 -3.43 115.31 120.65 3iaq h LEU 849 Ca -0.24 -0.49 -0.54 0.00 0.09 0.00 0.00 57.88 56.70 3iaq h LEU 849 Cb 1.07 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.61 3iaq h LEU 849 CO 1.03 1.08 -0.82 -0.36 0.09 0.00 0.00 178.44 179.46 3iaq s PHE 850 N -2.19 1.70 -0.06 1.13 0.08 -1.20 -0.88 117.98 116.55 3iaq s PHE 850 Ca -0.19 -0.42 0.02 0.00 0.12 0.00 0.00 56.93 56.45 3iaq s PHE 850 Cb 0.02 -0.93 0.02 0.00 -0.57 0.00 0.00 43.02 41.55 3iaq s PHE 850 CO 0.47 0.18 -0.10 0.42 -0.10 0.00 0.00 175.22 176.10 3iaq s ILE 851 N -1.18 0.94 -0.23 0.64 1.01 -0.11 0.31 121.20 122.59 3iaq s ILE 851 Ca 0.05 -0.36 -0.01 0.00 0.00 0.00 0.00 60.65 60.33 3iaq s ILE 851 Cb -0.10 -0.89 0.02 0.00 0.01 0.00 0.00 42.46 41.50 3iaq s ILE 851 CO 0.04 0.32 -0.09 -0.55 0.00 0.00 0.00 174.94 174.65 3iaq s SER 852 N 0.80 4.03 -0.26 3.58 0.15 0.71 -0.39 113.70 122.33 3iaq s SER 852 Ca -0.12 -0.74 -0.05 0.00 0.70 0.00 0.00 55.95 55.74 3iaq s SER 852 Cb -0.15 -1.63 0.00 0.00 -1.71 0.00 0.00 66.02 62.53 3iaq s SER 852 CO 0.02 -0.08 0.02 -0.13 1.20 0.00 0.00 173.24 174.27 3iaq s ARG 853 N 1.34 3.21 0.11 5.44 0.52 0.76 -0.55 118.95 129.78 3iaq s ARG 853 Ca 0.02 -0.76 0.09 0.00 -0.52 0.00 0.00 55.73 54.56 3iaq s ARG 853 Cb -0.15 -3.20 -0.04 0.00 0.52 0.00 0.00 34.95 32.08 3iaq s ARG 853 CO -0.06 -0.33 -0.22 0.15 0.02 0.00 0.00 175.30 174.86 3iaq s LYS 854 N 1.48 1.19 -0.10 3.54 1.02 -0.62 -0.42 119.74 125.83 3iaq s LYS 854 Ca 0.04 -1.22 0.00 0.00 0.02 0.00 0.00 55.97 54.81 3iaq s LYS 854 Cb -0.16 -1.48 0.02 0.00 -0.52 0.00 0.00 37.83 35.69 3iaq s LYS 854 CO -0.00 0.34 -0.08 0.95 -0.92 0.00 0.00 175.35 175.64 3iaq s THR 855 N -1.21 0.98 -0.18 2.17 -4.23 -0.61 -0.92 115.64 111.63 3iaq s THR 855 Ca 0.09 -0.29 -0.09 0.00 -1.18 0.00 0.00 61.69 60.22 3iaq s THR 855 Cb -0.10 -0.98 -0.05 0.00 1.34 0.00 0.00 72.50 72.71 3iaq s THR 855 CO 0.05 0.35 0.10 -0.31 -0.54 0.00 0.00 174.62 174.27 3iaq s TYR 856 N 1.46 3.36 -0.19 3.99 1.51 0.20 -1.05 117.35 126.63 3iaq s TYR 856 Ca -0.00 0.25 -0.00 0.00 -1.01 0.00 0.00 57.07 56.31 3iaq s TYR 856 Cb -0.13 -2.10 0.05 0.00 -0.11 0.00 0.00 41.96 39.67 3iaq s TYR 856 CO -0.05 0.29 -0.04 0.50 -1.11 0.00 0.00 175.55 175.13 3iaq s ARG 857 N 0.20 1.42 -0.33 -0.62 3.52 0.18 -0.66 118.95 122.67 3iaq s ARG 857 Ca 0.07 -0.65 -0.08 0.00 -0.13 0.00 0.00 55.73 54.94 3iaq s ARG 857 Cb -0.12 -2.20 0.02 0.00 -1.56 0.00 0.00 34.95 31.09 3iaq s ARG 857 CO -0.01 -0.50 0.12 0.42 -0.81 0.00 0.00 175.30 174.52 3iaq s ILE 858 N 1.58 4.07 0.57 4.11 1.01 -0.90 -0.61 121.20 131.04 3iaq s ILE 858 Ca -0.01 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.80 3iaq s ILE 858 Cb -0.17 -3.21 0.11 0.00 0.01 0.00 0.00 42.46 39.21 3iaq s ILE 858 CO -0.07 -0.08 0.78 -0.90 0.00 0.00 0.00 174.94 174.67 3iaq n ASP 859 N 4.88 1.32 0.00 3.58 5.68 -1.16 -1.63 116.55 129.23 3iaq n ASP 859 Ca -0.13 -2.05 0.06 0.00 -0.50 0.00 0.00 54.79 52.17 3iaq n ASP 859 Cb 0.46 -0.48 0.36 0.00 -1.14 0.00 0.00 41.12 40.32 3iaq n ASP 859 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iaq n GLY 860 N -1.22 -0.48 0.73 6.12 0.00 -1.03 -1.73 105.19 107.57 3iaq n GLY 860 Ca 0.14 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.15 3iaq n GLY 860 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3iaq n SER 861 N -0.89 2.83 -0.11 1.61 3.41 -1.26 -4.39 113.62 114.81 3iaq n SER 861 Ca 0.09 -1.85 -0.01 0.00 -0.26 0.00 0.00 58.87 56.83 3iaq n SER 861 Cb 0.04 -0.19 -0.01 0.00 -0.26 0.00 0.00 64.21 63.80 3iaq n SER 861 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iaq n GLY 862 N 0.80 0.48 3.69 5.00 0.00 -0.71 -4.98 105.19 109.47 3iaq n GLY 862 Ca 0.12 -0.21 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 3iaq n GLY 862 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3iaq s GLN 863 N -1.02 4.27 -0.42 1.61 -0.21 -1.26 -4.60 119.66 118.03 3iaq s GLN 863 Ca 0.00 0.49 -0.14 0.00 0.02 0.00 0.00 55.36 55.72 3iaq s GLN 863 Cb 0.00 -3.50 0.04 0.00 1.00 0.00 0.00 33.01 30.54 3iaq s GLN 863 CO 0.00 -0.02 0.31 1.41 -2.12 0.00 0.00 175.29 174.87 3iaq s MET 864 N 1.19 2.93 -0.33 2.91 -2.45 0.89 -2.97 119.30 121.48 3iaq s MET 864 Ca 0.26 -1.14 -0.18 0.00 -1.25 0.00 0.00 55.69 53.38 3iaq s MET 864 Cb -0.15 -3.98 -0.01 0.00 1.25 0.00 0.00 34.83 31.93 3iaq s MET 864 CO 0.11 -0.83 0.53 0.00 1.05 0.00 0.00 175.02 175.87 3iaq s ALA 865 N 1.64 3.50 -0.19 4.11 0.00 0.22 -0.46 121.76 130.59 3iaq s ALA 865 Ca 0.04 -0.88 -0.09 0.00 0.00 0.00 0.00 51.96 51.04 3iaq s ALA 865 Cb -0.21 -3.00 -0.05 0.00 0.00 0.00 0.00 23.12 19.87 3iaq s ALA 865 CO 0.08 -1.10 0.10 0.42 0.00 0.00 0.00 175.76 175.26 3iaq s ILE 866 N 2.41 5.13 -0.21 0.00 1.01 0.85 -0.64 121.20 129.75 3iaq s ILE 866 Ca 0.20 0.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.93 3iaq s ILE 866 Cb -0.15 -3.32 0.02 0.00 0.01 0.00 0.00 42.46 39.01 3iaq s ILE 866 CO 0.12 0.46 -0.12 -0.89 0.00 0.00 0.00 174.94 174.52 3iaq s THR 867 N 0.29 2.63 -0.15 2.92 2.01 -0.21 -1.38 115.64 121.74 3iaq s THR 867 Ca 0.06 -0.89 -0.01 0.00 0.31 0.00 0.00 61.69 61.16 3iaq s THR 867 Cb -0.12 -2.23 -0.01 0.00 0.01 0.00 0.00 72.50 70.15 3iaq s THR 867 CO -0.01 0.38 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.52 3iaq s VAL 868 N 1.34 3.23 -0.16 3.82 1.01 0.12 -1.57 120.40 128.19 3iaq s VAL 868 Ca 0.03 -0.58 -0.00 0.00 0.00 0.00 0.00 61.98 61.43 3iaq s VAL 868 Cb -0.15 -2.39 0.04 0.00 0.00 0.00 0.00 36.38 33.88 3iaq s VAL 868 CO -0.08 0.50 -0.07 -1.81 0.00 0.00 0.00 175.10 173.64 3iaq s ASP 869 N 0.62 2.77 -0.06 3.32 1.11 0.44 -1.68 116.67 123.18 3iaq s ASP 869 Ca -0.06 -0.61 0.02 0.00 0.18 0.00 0.00 52.55 52.08 3iaq s ASP 869 Cb -0.15 -0.96 -0.03 0.00 1.07 0.00 0.00 42.92 42.85 3iaq s ASP 869 CO 0.03 -0.16 -0.10 -0.69 1.18 0.00 0.00 175.17 175.43 3iaq s VAL 870 N 1.61 3.42 -0.17 -1.27 1.01 -0.23 -0.17 120.40 124.60 3iaq s VAL 870 Ca 0.02 -0.59 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 3iaq s VAL 870 Cb -0.15 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 3iaq s VAL 870 CO -0.08 0.59 -0.02 -1.61 0.00 0.00 0.00 175.10 173.98 3iaq s GLU 871 N -0.74 3.71 -0.11 2.72 2.02 0.48 -0.98 118.70 125.79 3iaq s GLU 871 Ca 0.11 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.61 3iaq s GLU 871 Cb -0.11 -2.98 -0.02 0.00 0.10 0.00 0.00 34.13 31.12 3iaq s GLU 871 CO 0.01 0.21 -0.11 0.08 0.02 0.00 0.00 175.26 175.48 3iaq s VAL 872 N 0.45 3.29 0.37 2.63 1.01 0.15 -0.94 120.40 127.36 3iaq s VAL 872 Ca -0.02 -0.59 -0.28 0.00 0.00 0.00 0.00 61.98 61.08 3iaq s VAL 872 Cb -0.14 -2.37 -0.11 0.00 0.00 0.00 0.00 36.38 33.76 3iaq s VAL 872 CO 0.02 0.54 1.49 0.00 0.00 0.00 0.00 175.10 177.16 3iaq n ALA 873 N 3.12 2.34 0.16 5.51 0.00 -0.06 -4.62 120.51 126.96 3iaq n ALA 873 Ca -0.18 0.35 0.03 0.00 0.00 0.00 0.00 53.44 53.63 3iaq n ALA 873 Cb 0.53 -2.42 0.20 0.00 0.00 0.00 0.00 19.45 17.76 3iaq n ALA 873 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3iaq h SER 874 N 3.14 0.00 0.43 0.00 4.64 -1.94 -3.19 113.55 116.63 3iaq h SER 874 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3iaq h SER 874 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3iaq h SER 874 CO 0.66 0.50 -0.33 -0.90 -0.87 0.00 0.00 176.83 175.89 3iaq n ASP 875 N -3.49 0.63 -4.82 4.97 5.68 -1.26 -4.84 116.55 113.42 3iaq n ASP 875 Ca 0.00 -0.45 -0.35 0.00 -0.50 0.00 0.00 54.79 53.49 3iaq n ASP 875 Cb 0.62 0.11 -0.06 0.00 -1.14 0.00 0.00 41.12 40.64 3iaq n ASP 875 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3iaq s THR 876 N -2.76 4.59 0.41 2.12 -1.32 -1.21 -5.04 115.64 112.43 3iaq s THR 876 Ca 0.18 1.22 -0.26 0.00 -1.21 0.00 0.00 61.69 61.62 3iaq s THR 876 Cb 0.19 -3.81 -0.10 0.00 -1.51 0.00 0.00 72.50 67.26 3iaq s THR 876 CO 0.60 0.14 1.36 -0.81 -2.21 0.00 0.00 174.62 173.70 3iaq n PRO 877 N 0.52 2.20 -1.74 7.08 -0.04 -1.26 -4.90 135.00 136.86 3iaq n PRO 877 Ca -0.01 0.78 -0.42 0.00 -0.04 0.00 0.00 63.50 63.81 3iaq n PRO 877 Cb 0.51 -2.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.46 3iaq n PRO 877 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3iaq n HIS 878 N -0.00 2.76 -2.30 0.54 8.25 -1.26 -4.94 115.22 118.27 3iaq n HIS 878 Ca 0.05 0.36 -0.36 0.00 -0.26 0.00 0.00 57.72 57.51 3iaq n HIS 878 Cb 0.39 -2.54 -0.01 0.00 1.12 0.00 0.00 29.99 28.95 3iaq n HIS 878 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3iaq s PRO 879 N -1.11 3.71 0.39 -0.41 0.04 -1.26 -4.89 135.00 131.46 3iaq s PRO 879 Ca 0.60 1.70 0.06 0.00 0.04 0.00 0.00 61.00 63.40 3iaq s PRO 879 Cb -0.51 -2.31 0.79 0.00 0.04 0.00 0.00 34.50 32.50 3iaq s PRO 879 CO 0.55 -0.58 2.00 0.00 0.04 0.00 0.00 177.00 179.01 3iaq h ALA 880 N 1.88 1.61 -2.84 8.56 0.00 -1.89 -3.41 119.26 123.16 3iaq h ALA 880 Ca -0.49 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 3iaq h ALA 880 Cb 1.25 -0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.78 3iaq h ALA 880 CO 0.60 0.32 -0.02 -0.98 0.00 0.00 0.00 179.25 179.17 3iaq s ARG 881 N -5.32 1.38 -0.31 0.00 1.70 -1.21 -0.15 118.95 115.05 3iaq s ARG 881 Ca -0.08 -0.94 -0.02 0.00 -0.47 0.00 0.00 55.73 54.21 3iaq s ARG 881 Cb 0.17 0.50 0.10 0.00 -0.57 0.00 0.00 34.95 35.15 3iaq s ARG 881 CO 0.74 -0.58 0.13 0.42 -1.08 0.00 0.00 175.30 174.93 3iaq s ILE 882 N -3.90 0.31 0.00 4.99 1.01 0.52 -4.28 121.20 119.84 3iaq s ILE 882 Ca 0.11 -1.09 0.00 0.00 0.00 0.00 0.00 60.65 59.67 3iaq s ILE 882 Cb -0.01 -1.25 0.00 0.00 0.01 0.00 0.00 42.46 41.21 3iaq s ILE 882 CO -0.01 -0.73 0.00 0.61 0.00 0.00 0.00 174.94 174.80 3iaq n GLY 883 N 4.98 2.03 3.71 6.18 0.00 -0.95 0.17 105.19 121.31 3iaq n GLY 883 Ca -0.03 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 44.77 3iaq n GLY 883 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iaq s LEU 884 N 0.00 3.42 -0.01 0.99 1.43 0.14 -0.37 118.68 124.27 3iaq s LEU 884 Ca 0.00 -0.50 -0.15 0.00 -1.03 0.00 0.00 54.13 52.45 3iaq s LEU 884 Cb 0.00 -1.94 0.02 0.00 0.03 0.00 0.00 46.19 44.30 3iaq s LEU 884 CO 0.00 -0.01 0.32 0.54 0.23 0.00 0.00 176.35 177.43 3iaq s ASN 885 N -3.72 -0.20 0.18 2.29 4.22 0.02 -1.81 114.94 115.91 3iaq s ASN 885 Ca 0.32 0.10 -0.20 0.00 -2.14 0.00 0.00 52.86 50.94 3iaq s ASN 885 Cb -0.07 0.32 0.05 0.00 1.28 0.00 0.00 41.25 42.82 3iaq s ASN 885 CO 0.22 -0.45 0.56 0.00 -2.04 0.00 0.00 177.10 175.38 3iaq s GLN 887 N -3.81 2.58 0.34 0.00 0.74 -1.23 -1.36 119.66 116.92 3iaq s GLN 887 Ca 0.05 -1.26 -0.25 0.00 0.05 0.00 0.00 55.36 53.94 3iaq s GLN 887 Cb -0.01 -3.51 -0.10 0.00 1.10 0.00 0.00 33.01 30.49 3iaq s GLN 887 CO -0.08 -0.73 0.95 -0.51 -0.55 0.00 0.00 175.29 174.37 3iaq s LEU 888 N 1.39 4.28 0.28 3.68 1.43 -0.11 0.19 118.68 129.82 3iaq s LEU 888 Ca -0.00 1.82 0.06 0.00 -1.03 0.00 0.00 54.13 54.97 3iaq s LEU 888 Cb -0.20 -4.09 0.39 0.00 0.03 0.00 0.00 46.19 42.32 3iaq s LEU 888 CO 0.02 -0.11 1.66 0.00 0.23 0.00 0.00 176.35 178.15 3iaq h ALA 889 N 2.99 1.03 -2.86 4.21 0.00 -1.57 -0.29 119.26 122.77 3iaq h ALA 889 Ca -0.47 -0.45 -0.53 0.00 0.00 0.00 0.00 54.91 53.46 3iaq h ALA 889 Cb 1.19 -0.09 0.10 0.00 0.00 0.00 0.00 17.79 18.98 3iaq h ALA 889 CO 0.64 0.63 0.86 -1.14 0.00 0.00 0.00 179.25 180.24 3iaq s GLN 890 N -4.05 4.10 -0.23 0.00 2.00 -1.26 -4.29 119.66 115.93 3iaq s GLN 890 Ca -0.04 2.60 0.01 0.00 -2.00 0.00 0.00 55.36 55.93 3iaq s GLN 890 Cb 0.13 -2.99 0.05 0.00 0.80 0.00 0.00 33.01 31.00 3iaq s GLN 890 CO 0.78 -0.61 -0.08 0.08 -0.50 0.00 0.00 175.29 174.95 3iaq s VAL 891 N -0.45 1.71 0.35 1.34 1.01 -1.26 -3.27 120.40 119.82 3iaq s VAL 891 Ca 0.59 -1.25 0.08 0.00 0.00 0.00 0.00 61.98 61.40 3iaq s VAL 891 Cb -0.48 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3iaq s VAL 891 CO 0.55 -0.00 0.22 0.00 0.00 0.00 0.00 175.10 175.86 3iaq s ALA 892 N 1.33 3.67 -0.08 5.51 0.00 -1.26 -5.05 121.76 125.89 3iaq s ALA 892 Ca -0.05 -1.78 -0.05 0.00 0.00 0.00 0.00 51.96 50.08 3iaq s ALA 892 Cb -0.18 -0.90 -0.27 0.00 0.00 0.00 0.00 23.12 21.77 3iaq s ALA 892 CO -0.07 -0.01 0.53 0.93 0.00 0.00 0.00 175.76 177.15 3iaq h GLU 893 N 1.39 0.26 -6.19 0.00 5.08 -2.00 -3.44 114.58 109.69 3iaq h GLU 893 Ca -0.44 -0.45 -0.54 0.00 -1.00 0.00 0.00 59.36 56.93 3iaq h GLU 893 Cb 1.25 0.17 -0.06 0.00 0.50 0.00 0.00 28.75 30.62 3iaq h GLU 893 CO 0.61 1.15 -0.54 1.03 -1.00 0.00 0.00 179.01 180.26 3iaq s ARG 894 N -2.58 2.97 -0.17 2.33 1.81 -1.26 -0.11 118.95 121.95 3iaq s ARG 894 Ca -0.17 -0.91 0.00 0.00 -1.72 0.00 0.00 55.73 52.93 3iaq s ARG 894 Cb 0.06 -2.65 0.04 0.00 -0.45 0.00 0.00 34.95 31.95 3iaq s ARG 894 CO 0.81 0.45 -0.09 0.08 -0.68 0.00 0.00 175.30 175.87 3iaq s VAL 895 N -1.90 1.36 -0.21 3.52 1.01 0.26 -4.64 120.40 119.81 3iaq s VAL 895 Ca 0.32 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 3iaq s VAL 895 Cb -0.09 -1.44 -0.00 0.00 0.00 0.00 0.00 36.38 34.85 3iaq s VAL 895 CO 0.25 0.23 -0.08 0.21 0.00 0.00 0.00 175.10 175.70 3iaq s ASN 896 N 1.54 4.05 0.00 3.32 3.84 -1.02 -0.91 114.94 125.76 3iaq s ASN 896 Ca 0.01 -0.44 -0.05 0.00 0.21 0.00 0.00 52.86 52.59 3iaq s ASN 896 Cb -0.15 -1.68 -0.00 0.00 -0.55 0.00 0.00 41.25 38.87 3iaq s ASN 896 CO -0.08 -0.01 0.09 -1.66 -2.79 0.00 0.00 177.10 172.65 3iaq s TRP 897 N 1.40 0.08 -0.46 0.43 -2.14 0.46 0.19 118.94 118.90 3iaq s TRP 897 Ca 0.05 -0.19 -0.10 0.00 2.66 0.00 0.00 56.10 58.52 3iaq s TRP 897 Cb -0.14 -0.07 0.10 0.00 -3.10 0.00 0.00 33.47 30.26 3iaq s TRP 897 CO -0.05 -0.24 0.33 -1.17 -2.66 0.00 0.00 176.95 173.16 3iaq s LEU 898 N -1.26 5.52 0.00 -4.66 2.96 -0.18 -0.09 118.68 120.98 3iaq s LEU 898 Ca -0.14 -1.69 0.00 0.00 -0.22 0.00 0.00 54.13 52.08 3iaq s LEU 898 Cb -0.08 -2.03 0.00 0.00 0.50 0.00 0.00 46.19 44.58 3iaq s LEU 898 CO 0.01 -0.64 0.00 0.61 -1.32 0.00 0.00 176.35 175.00 3iaq n GLY 899 N 4.97 -0.71 3.73 7.98 0.00 -0.84 -0.42 105.19 119.89 3iaq n GLY 899 Ca -0.10 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 3iaq n GLY 899 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iaq s LEU 900 N 0.00 4.46 0.00 0.99 1.43 -1.11 -1.63 118.68 122.82 3iaq s LEU 900 Ca 0.00 1.95 0.00 0.00 -1.03 0.00 0.00 54.13 55.05 3iaq s LEU 900 Cb 0.00 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.63 3iaq s LEU 900 CO 0.00 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 176.97 3iaq n GLY 901 N 2.37 -1.27 0.17 -3.19 0.00 -0.82 -4.50 105.19 97.94 3iaq n GLY 901 Ca 0.04 -0.96 0.06 0.00 0.00 0.00 0.00 46.02 45.15 3iaq n GLY 901 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iaq h PRO 902 N 0.00 0.00 -7.31 1.61 0.13 -1.93 -2.33 132.00 122.17 3iaq h PRO 902 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 3iaq h PRO 902 Cb 0.00 0.00 0.09 0.00 0.13 0.00 0.00 31.00 31.22 3iaq h PRO 902 CO 0.00 0.33 0.37 -0.65 -0.23 0.00 0.00 178.00 177.82 3iaq s GLN 903 N -3.07 2.96 0.14 0.86 -0.21 -1.26 -4.96 119.66 114.12 3iaq s GLN 903 Ca 0.05 1.02 -0.35 0.00 0.02 0.00 0.00 55.36 56.10 3iaq s GLN 903 Cb 0.07 -1.99 -0.15 0.00 1.00 0.00 0.00 33.01 31.94 3iaq s GLN 903 CO 0.72 -1.08 1.45 -1.91 -2.12 0.00 0.00 175.29 172.34 3iaq n GLU 904 N -2.94 1.71 -3.84 2.91 2.13 -1.26 -4.89 120.64 114.46 3iaq n GLU 904 Ca 0.08 0.62 -0.12 0.00 0.66 0.00 0.00 57.16 58.39 3iaq n GLU 904 Cb 0.53 -2.31 -0.12 0.00 0.27 0.00 0.00 31.44 29.81 3iaq n GLU 904 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3iaq s ASN 905 N 0.64 -0.10 0.23 4.31 2.20 0.31 -4.91 114.94 117.61 3iaq s ASN 905 Ca 0.80 0.17 0.10 0.00 -0.94 0.00 0.00 52.86 52.99 3iaq s ASN 905 Cb -0.79 0.26 -0.05 0.00 -2.00 0.00 0.00 41.25 38.68 3iaq s ASN 905 CO 0.43 -0.11 -0.18 -0.31 -2.94 0.00 0.00 177.10 173.99 3iaq s TYR 906 N -0.22 2.00 0.37 1.54 1.51 -0.93 -3.68 117.35 117.94 3iaq s TYR 906 Ca -0.03 -0.45 0.18 0.00 -1.01 0.00 0.00 57.07 55.76 3iaq s TYR 906 Cb -0.02 -0.91 1.14 0.00 -0.11 0.00 0.00 41.96 42.06 3iaq s TYR 906 CO 0.00 0.52 1.68 -1.35 -1.11 0.00 0.00 175.55 175.29 3iaq h PRO 907 N 2.55 0.31 -0.45 -1.71 0.11 -1.86 0.81 132.00 131.76 3iaq h PRO 907 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3iaq h PRO 907 Cb 1.23 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3iaq h PRO 907 CO 0.59 0.20 0.00 -0.40 -0.21 0.00 0.00 178.00 178.19 3iaq n ASP 908 N -4.88 3.25 -3.04 -2.05 5.75 -1.26 -4.41 116.55 109.91 3iaq n ASP 908 Ca 0.31 -1.96 -0.16 0.00 -0.01 0.00 0.00 54.79 52.97 3iaq n ASP 908 Cb 1.02 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.82 3iaq n ASP 908 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3iaq n ARG 909 N 1.32 0.95 -0.13 0.11 0.63 0.28 -0.29 116.66 119.52 3iaq n ARG 909 Ca 0.20 -2.88 0.02 0.00 -0.92 0.00 0.00 57.85 54.27 3iaq n ARG 909 Cb 0.55 -1.46 0.03 0.00 0.45 0.00 0.00 32.46 32.03 3iaq n ARG 909 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 3iaq n LEU 910 N 0.48 1.04 0.05 6.15 -0.00 -0.74 -2.19 117.00 121.80 3iaq n LEU 910 Ca 0.19 -1.42 -0.09 0.00 -0.00 0.00 0.00 56.01 54.69 3iaq n LEU 910 Cb 0.66 -0.09 0.05 0.00 -0.00 0.00 0.00 43.42 44.03 3iaq n LEU 910 CO 0.15 0.34 0.39 0.71 -0.00 0.00 0.00 177.39 178.98 3iaq h THR 911 N 2.44 1.37 0.00 1.47 1.35 -1.91 -3.05 112.91 114.58 3iaq h THR 911 Ca 0.00 -2.08 -0.11 0.00 -0.55 0.00 0.00 66.41 63.68 3iaq h THR 911 Cb 0.95 2.05 -0.02 0.00 -1.73 0.00 0.00 68.15 69.41 3iaq h THR 911 CO 0.00 0.62 -0.51 0.00 -0.25 0.00 0.00 175.52 175.39 3iaq h ALA 912 N 0.98 0.97 -3.06 6.62 0.00 -1.88 -3.45 119.26 119.43 3iaq h ALA 912 Ca -0.02 -0.46 -0.56 0.00 0.00 0.00 0.00 54.91 53.87 3iaq h ALA 912 Cb 1.25 -0.08 0.16 0.00 0.00 0.00 0.00 17.79 19.12 3iaq h ALA 912 CO 0.12 0.63 0.50 0.00 0.00 0.00 0.00 179.25 180.50 3iaq s ALA 913 N -3.57 2.34 0.00 0.00 0.00 -1.15 -5.00 121.76 114.37 3iaq s ALA 913 Ca -0.00 1.19 0.04 0.00 0.00 0.00 0.00 51.96 53.19 3iaq s ALA 913 Cb 0.12 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 3iaq s ALA 913 CO 0.73 -1.65 -0.14 0.00 0.00 0.00 0.00 175.76 174.70 3iaq s PHE 915 N -0.43 2.92 0.26 0.00 5.36 -1.25 -1.95 117.98 122.89 3iaq s PHE 915 Ca 0.04 0.97 -0.20 0.00 -0.96 0.00 0.00 56.93 56.79 3iaq s PHE 915 Cb -0.06 -3.97 0.07 0.00 -0.34 0.00 0.00 43.02 38.72 3iaq s PHE 915 CO -0.00 -1.18 0.94 0.34 -1.46 0.00 0.00 175.22 173.86 3iaq s ASP 916 N 2.24 -0.01 -0.22 6.13 -1.08 -0.64 -4.89 116.67 118.20 3iaq s ASP 916 Ca 0.49 -0.84 -0.29 0.00 -0.52 0.00 0.00 52.55 51.39 3iaq s ASP 916 Cb -0.12 0.64 -0.00 0.00 -1.46 0.00 0.00 42.92 41.98 3iaq s ASP 916 CO 0.22 -1.26 1.18 -0.60 0.52 0.00 0.00 175.17 175.23 3iaq s ARG 917 N -2.30 4.19 -0.03 4.34 6.06 -1.26 -1.99 118.95 127.95 3iaq s ARG 917 Ca 0.19 1.46 0.06 0.00 -2.50 0.00 0.00 55.73 54.94 3iaq s ARG 917 Cb -0.04 -3.74 -0.02 0.00 0.06 0.00 0.00 34.95 31.22 3iaq s ARG 917 CO 0.08 -0.75 -0.22 -1.58 -2.50 0.00 0.00 175.30 170.33 3iaq s TRP 918 N 3.52 2.47 -0.11 5.12 0.52 0.87 -4.99 118.94 126.35 3iaq s TRP 918 Ca 0.50 -0.37 -0.01 0.00 0.02 0.00 0.00 56.10 56.24 3iaq s TRP 918 Cb -0.18 -1.56 0.03 0.00 -1.15 0.00 0.00 33.47 30.62 3iaq s TRP 918 CO 0.13 0.02 -0.02 0.34 0.02 0.00 0.00 176.95 177.44 3iaq s ASP 919 N -0.60 2.09 0.06 2.95 -1.08 -1.26 -0.40 116.67 118.43 3iaq s ASP 919 Ca 0.09 -0.32 0.03 0.00 -0.52 0.00 0.00 52.55 51.83 3iaq s ASP 919 Cb -0.11 -0.63 -0.03 0.00 -1.46 0.00 0.00 42.92 40.69 3iaq s ASP 919 CO -0.00 -0.19 -0.09 -0.76 0.52 0.00 0.00 175.17 174.65 3iaq s LEU 920 N 1.84 2.29 0.75 -1.34 1.43 -0.09 -4.97 118.68 118.60 3iaq s LEU 920 Ca 0.04 -0.62 -0.14 0.00 -1.03 0.00 0.00 54.13 52.38 3iaq s LEU 920 Cb -0.13 -0.23 0.05 0.00 0.03 0.00 0.00 46.19 45.91 3iaq s LEU 920 CO -0.07 -0.21 1.17 -2.16 0.23 0.00 0.00 176.35 175.32 3iaq s PRO 921 N -1.88 2.09 0.24 1.29 0.04 -1.26 0.93 135.00 136.44 3iaq s PRO 921 Ca -0.06 1.62 -0.06 0.00 0.04 0.00 0.00 61.00 62.55 3iaq s PRO 921 Cb -0.08 -1.84 0.31 0.00 0.04 0.00 0.00 34.50 32.93 3iaq s PRO 921 CO 0.00 -1.84 1.86 1.25 0.04 0.00 0.00 177.00 178.30 3iaq h LEU 922 N -0.54 0.84 -1.91 -3.56 5.85 -0.80 -2.35 115.31 112.84 3iaq h LEU 922 Ca -0.46 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 3iaq h LEU 922 Cb 1.28 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 3iaq h LEU 922 CO 0.49 0.55 -0.08 0.77 -0.34 0.00 0.00 178.44 179.83 3iaq h SER 923 N 0.98 0.00 0.93 1.25 4.64 -1.92 -1.07 113.55 118.36 3iaq h SER 923 Ca 0.36 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.68 3iaq h SER 923 Cb 0.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3iaq h SER 923 CO -0.16 0.08 -0.04 0.44 -0.87 0.00 0.00 176.83 176.28 3iaq h ASP 924 N 0.00 0.00 0.27 4.97 5.19 -1.79 -2.16 116.42 122.90 3iaq h ASP 924 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3iaq h ASP 924 Cb 0.36 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.87 3iaq h ASP 924 CO 0.01 0.04 -0.01 0.23 -3.12 0.00 0.00 179.24 176.40 3iaq n MET 925 N -3.16 0.74 -4.65 3.56 2.81 -0.40 -4.72 117.12 111.30 3iaq n MET 925 Ca 0.00 -0.03 -0.34 0.00 -1.81 0.00 0.00 57.70 55.53 3iaq n MET 925 Cb 0.31 -1.50 -0.12 0.00 -0.71 0.00 0.00 33.22 31.20 3iaq n MET 925 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 3iaq s TYR 926 N -2.28 2.91 -0.26 2.03 5.04 -0.81 -4.33 117.35 119.65 3iaq s TYR 926 Ca 0.38 -0.06 -0.04 0.00 -2.44 0.00 0.00 57.07 54.91 3iaq s TYR 926 Cb 0.21 -1.73 0.01 0.00 0.35 0.00 0.00 41.96 40.81 3iaq s TYR 926 CO 0.42 0.26 0.00 0.99 -1.34 0.00 0.00 175.55 175.88 3iaq s THR 927 N -0.65 3.42 -1.55 4.34 2.01 -1.26 -4.94 115.64 117.01 3iaq s THR 927 Ca 0.10 -0.81 -0.12 0.00 0.31 0.00 0.00 61.69 61.18 3iaq s THR 927 Cb -0.11 -2.73 -0.03 0.00 0.01 0.00 0.00 72.50 69.64 3iaq s THR 927 CO 0.02 0.18 2.65 -0.81 -0.69 0.00 0.00 174.62 175.97 3iaq n PRO 928 N 4.77 3.37 -1.86 4.92 -0.04 -1.26 -4.87 135.00 140.03 3iaq n PRO 928 Ca -0.16 -2.39 -0.41 0.00 -0.04 0.00 0.00 63.50 60.50 3iaq n PRO 928 Cb 0.48 -3.00 -0.01 0.00 -0.04 0.00 0.00 33.50 30.93 3iaq n PRO 928 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3iaq s TYR 929 N 2.52 2.78 0.18 0.54 2.02 -1.26 -4.92 117.35 119.22 3iaq s TYR 929 Ca 0.60 1.00 -0.13 0.00 -0.37 0.00 0.00 57.07 58.18 3iaq s TYR 929 Cb 0.16 -3.97 0.11 0.00 -0.40 0.00 0.00 41.96 37.86 3iaq s TYR 929 CO -0.07 -3.07 1.83 0.28 -1.57 0.00 0.00 175.55 172.95 3iaq h VAL 930 N 3.26 1.08 -3.27 0.71 2.07 -1.96 -3.30 116.25 114.84 3iaq h VAL 930 Ca -0.48 -0.24 -0.71 0.00 0.82 0.00 0.00 66.70 66.09 3iaq h VAL 930 Cb 1.23 0.33 -0.20 0.00 -1.52 0.00 0.00 31.29 31.12 3iaq h VAL 930 CO 0.73 0.13 -0.14 0.12 0.02 0.00 0.00 177.57 178.43 3iaq s PHE 931 N -6.14 3.14 0.53 1.57 5.36 -1.26 -0.85 117.98 120.33 3iaq s PHE 931 Ca -0.13 -0.74 -0.21 0.00 -0.96 0.00 0.00 56.93 54.89 3iaq s PHE 931 Cb 0.13 -3.37 -0.06 0.00 -0.34 0.00 0.00 43.02 39.39 3iaq s PHE 931 CO 0.75 -0.92 1.21 -2.14 -1.46 0.00 0.00 175.22 172.65 3iaq s PRO 932 N 2.14 3.34 0.21 10.12 0.02 -1.24 -4.93 135.00 144.66 3iaq s PRO 932 Ca 0.10 1.85 -0.11 0.00 0.02 0.00 0.00 61.00 62.85 3iaq s PRO 932 Cb -0.22 -2.17 0.04 0.00 0.02 0.00 0.00 34.50 32.18 3iaq s PRO 932 CO 0.09 -0.91 0.58 -1.13 -0.33 0.00 0.00 177.00 175.30 3iaq n SER 933 N -1.05 -1.39 -4.64 2.53 3.41 -1.26 -4.73 113.62 106.48 3iaq n SER 933 Ca 0.10 -1.89 -0.50 0.00 -0.26 0.00 0.00 58.87 56.32 3iaq n SER 933 Cb 0.48 2.30 -0.05 0.00 -0.26 0.00 0.00 64.21 66.68 3iaq n SER 933 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3iaq n GLU 934 N -0.40 1.60 -3.98 4.33 4.07 -0.23 -4.95 120.64 121.08 3iaq n GLU 934 Ca -0.04 0.58 -0.09 0.00 -0.06 0.00 0.00 57.16 57.54 3iaq n GLU 934 Cb 0.39 -2.29 -0.05 0.00 -0.06 0.00 0.00 31.44 29.44 3iaq n GLU 934 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3iaq s ASN 935 N 1.21 -0.07 -1.65 4.31 2.20 -1.26 -4.92 114.94 114.76 3iaq s ASN 935 Ca 0.84 -0.91 0.00 0.00 -0.94 0.00 0.00 52.86 51.85 3iaq s ASN 935 Cb -0.84 0.62 0.00 0.00 -2.00 0.00 0.00 41.25 39.02 3iaq s ASN 935 CO 0.46 -1.19 0.00 0.61 -2.94 0.00 0.00 177.10 174.04 3iaq n GLY 936 N -0.40 1.57 3.78 0.45 0.00 -1.26 -4.81 105.19 104.51 3iaq n GLY 936 Ca -0.02 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 3iaq n GLY 936 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iaq s LEU 937 N -3.54 3.71 -0.05 0.99 2.96 -1.26 -4.52 118.68 116.96 3iaq s LEU 937 Ca 0.00 2.11 0.02 0.00 -0.22 0.00 0.00 54.13 56.04 3iaq s LEU 937 Cb 0.00 -4.57 0.02 0.00 0.50 0.00 0.00 46.19 42.13 3iaq s LEU 937 CO 0.00 -1.21 -0.09 -0.13 -1.32 0.00 0.00 176.35 173.60 3iaq s ARG 938 N -3.41 1.31 0.63 1.98 3.00 0.13 -0.53 118.95 122.05 3iaq s ARG 938 Ca 0.71 -0.28 0.01 0.00 0.00 0.00 0.00 55.73 56.17 3iaq s ARG 938 Cb -0.22 -1.14 0.08 0.00 0.00 0.00 0.00 34.95 33.67 3iaq s ARG 938 CO 0.28 -0.01 0.87 0.00 0.00 0.00 0.00 175.30 176.44 3iaq n GLY 940 N -2.55 -0.49 3.74 0.00 0.00 -1.15 -2.75 105.19 101.99 3iaq n GLY 940 Ca 0.12 0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.95 3iaq n GLY 940 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iaq s THR 941 N -3.26 5.25 -0.36 2.61 2.01 -0.60 -3.81 115.64 117.47 3iaq s THR 941 Ca 0.66 0.71 0.18 0.00 0.31 0.00 0.00 61.69 63.54 3iaq s THR 941 Cb -0.34 -3.70 -0.24 0.00 0.01 0.00 0.00 72.50 68.23 3iaq s THR 941 CO 0.81 0.38 0.53 0.54 -0.69 0.00 0.00 174.62 176.20 3iaq n ARG 942 N 3.46 0.87 -3.68 4.92 5.12 0.43 -1.76 116.66 126.03 3iaq n ARG 942 Ca -0.10 -0.09 -0.13 0.00 -1.93 0.00 0.00 57.85 55.60 3iaq n ARG 942 Cb 0.52 -1.38 -0.08 0.00 -1.16 0.00 0.00 32.46 30.36 3iaq n ARG 942 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 3iaq s GLU 943 N -2.98 0.65 -0.03 5.56 2.12 -1.21 -2.36 118.70 120.45 3iaq s GLU 943 Ca -0.01 0.84 0.01 0.00 0.36 0.00 0.00 54.97 56.17 3iaq s GLU 943 Cb 0.12 0.28 0.02 0.00 0.26 0.00 0.00 34.13 34.81 3iaq s GLU 943 CO 0.72 -0.09 -0.03 -1.17 -0.54 0.00 0.00 175.26 174.15 3iaq s LEU 944 N 0.54 1.39 -0.08 2.70 2.96 0.49 -1.01 118.68 125.67 3iaq s LEU 944 Ca -0.02 -0.08 0.04 0.00 -0.22 0.00 0.00 54.13 53.85 3iaq s LEU 944 Cb -0.05 -0.32 0.00 0.00 0.50 0.00 0.00 46.19 46.33 3iaq s LEU 944 CO -0.03 -0.05 -0.20 0.20 -1.32 0.00 0.00 176.35 174.96 3iaq s ASN 945 N 0.76 2.58 -0.23 3.68 0.01 0.13 -0.89 114.94 120.98 3iaq s ASN 945 Ca -0.09 -0.46 -0.05 0.00 -0.71 0.00 0.00 52.86 51.56 3iaq s ASN 945 Cb -0.12 -1.14 0.12 0.00 0.41 0.00 0.00 41.25 40.52 3iaq s ASN 945 CO -0.01 0.12 0.42 -0.47 -1.51 0.00 0.00 177.10 175.65 3iaq s TYR 946 N 0.41 -0.87 0.00 2.20 5.04 -1.07 -2.43 117.35 120.63 3iaq s TYR 946 Ca -0.16 1.28 0.00 0.00 -2.44 0.00 0.00 57.07 55.75 3iaq s TYR 946 Cb -0.17 0.22 0.00 0.00 0.35 0.00 0.00 41.96 42.36 3iaq s TYR 946 CO 0.07 -0.61 0.00 0.41 -1.34 0.00 0.00 175.55 174.08 3iaq n GLY 947 N 5.38 3.89 0.52 8.97 0.00 -1.26 -1.59 105.19 121.11 3iaq n GLY 947 Ca -0.06 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.14 3iaq n GLY 947 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3iaq n PRO 948 N 14.00 1.69 -3.90 1.61 -0.04 -1.26 -4.95 135.00 142.16 3iaq n PRO 948 Ca 0.00 -1.04 -0.25 0.00 -0.04 0.00 0.00 63.50 62.17 3iaq n PRO 948 Cb 0.00 -1.40 -0.03 0.00 -0.04 0.00 0.00 33.50 32.04 3iaq n PRO 948 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3iaq s HIS 949 N -1.81 3.48 -0.12 0.54 3.76 -0.62 -2.41 115.29 118.11 3iaq s HIS 949 Ca 0.33 0.11 -0.06 0.00 -0.15 0.00 0.00 55.06 55.29 3iaq s HIS 949 Cb 0.17 -1.67 0.05 0.00 1.11 0.00 0.00 32.58 32.25 3iaq s HIS 949 CO 0.27 0.46 0.28 -1.14 -0.85 0.00 0.00 174.74 173.76 3iaq s GLN 950 N -3.52 0.24 -0.09 1.40 0.74 -0.69 -2.60 119.66 115.15 3iaq s GLN 950 Ca 0.35 0.60 0.03 0.00 0.05 0.00 0.00 55.36 56.39 3iaq s GLN 950 Cb -0.10 -0.09 -0.01 0.00 1.10 0.00 0.00 33.01 33.90 3iaq s GLN 950 CO 0.29 -0.17 -0.18 -1.58 -0.55 0.00 0.00 175.29 173.10 3iaq s TRP 951 N 1.38 2.65 0.16 1.67 0.51 -0.07 -1.93 118.94 123.30 3iaq s TRP 951 Ca -0.09 -0.62 0.08 0.00 -2.12 0.00 0.00 56.10 53.35 3iaq s TRP 951 Cb -0.10 -1.71 -0.04 0.00 -0.81 0.00 0.00 33.47 30.81 3iaq s TRP 951 CO -0.09 -0.16 -0.17 1.03 -0.51 0.00 0.00 176.95 177.05 3iaq s ARG 952 N -0.02 1.23 0.00 4.98 0.52 -0.31 -0.38 118.95 124.97 3iaq s ARG 952 Ca -0.05 -1.40 0.00 0.00 -0.52 0.00 0.00 55.73 53.75 3iaq s ARG 952 Cb -0.15 -1.20 0.00 0.00 0.52 0.00 0.00 34.95 34.12 3iaq s ARG 952 CO 0.05 0.23 0.00 0.41 0.02 0.00 0.00 175.30 176.01 3iaq n GLY 953 N 0.23 0.18 2.62 -3.53 0.00 -1.00 -0.91 105.19 102.78 3iaq n GLY 953 Ca -0.13 -0.92 -0.17 0.00 0.00 0.00 0.00 46.02 44.80 3iaq n GLY 953 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3iaq s ASP 954 N -4.00 0.40 0.36 1.61 2.15 -1.25 -4.16 116.67 111.78 3iaq s ASP 954 Ca 0.00 -2.23 0.03 0.00 0.43 0.00 0.00 52.55 50.78 3iaq s ASP 954 Cb 0.00 0.60 -0.04 0.00 -0.30 0.00 0.00 42.92 43.18 3iaq s ASP 954 CO 0.00 -0.15 0.11 0.72 -0.17 0.00 0.00 175.17 175.68 3iaq s PHE 955 N 0.69 1.79 -0.06 -5.34 -0.12 -0.72 -4.89 117.98 109.33 3iaq s PHE 955 Ca 0.28 -1.20 0.06 0.00 -0.05 0.00 0.00 56.93 56.01 3iaq s PHE 955 Cb -0.03 -1.13 -0.01 0.00 -0.63 0.00 0.00 43.02 41.23 3iaq s PHE 955 CO -0.10 -0.25 -0.24 -0.65 -0.05 0.00 0.00 175.22 173.92 3iaq s GLN 956 N -3.80 2.58 0.01 1.99 -1.52 0.18 -1.56 119.66 117.53 3iaq s GLN 956 Ca 0.30 -0.87 -0.02 0.00 -1.95 0.00 0.00 55.36 52.82 3iaq s GLN 956 Cb 0.05 -2.13 -0.01 0.00 -0.22 0.00 0.00 33.01 30.70 3iaq s GLN 956 CO 0.15 0.33 0.02 -0.59 -0.25 0.00 0.00 175.29 174.95 3iaq s PHE 957 N -0.04 0.14 0.15 0.91 -0.71 -0.19 0.12 117.98 118.36 3iaq s PHE 957 Ca -0.07 -0.29 0.06 0.00 -1.04 0.00 0.00 56.93 55.60 3iaq s PHE 957 Cb -0.14 -0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.51 3iaq s PHE 957 CO 0.05 -0.17 -0.13 0.54 -1.34 0.00 0.00 175.22 174.17 3iaq s ASN 958 N -1.07 2.08 -0.16 1.98 2.20 -0.84 0.18 114.94 119.30 3iaq s ASN 958 Ca -0.12 -0.95 -0.07 0.00 -0.94 0.00 0.00 52.86 50.79 3iaq s ASN 958 Cb -0.07 -0.06 0.07 0.00 -2.00 0.00 0.00 41.25 39.18 3iaq s ASN 958 CO -0.00 -0.22 0.35 -0.51 -2.94 0.00 0.00 177.10 173.77 3iaq s ILE 959 N -2.83 -0.33 0.36 0.54 2.07 -1.26 -1.27 121.20 118.48 3iaq s ILE 959 Ca 0.16 0.17 -0.10 0.00 -1.41 0.00 0.00 60.65 59.47 3iaq s ILE 959 Cb -0.01 -0.55 0.03 0.00 0.13 0.00 0.00 42.46 42.06 3iaq s ILE 959 CO 0.03 0.07 0.64 -0.94 -1.91 0.00 0.00 174.94 172.84 3iaq s SER 960 N 2.03 0.44 0.00 4.50 1.04 -0.73 -4.52 113.70 116.45 3iaq s SER 960 Ca -0.04 -1.30 0.21 0.00 0.48 0.00 0.00 55.95 55.30 3iaq s SER 960 Cb -0.11 0.76 0.84 0.00 0.10 0.00 0.00 66.02 67.62 3iaq s SER 960 CO -0.11 -1.50 1.60 0.54 0.98 0.00 0.00 173.24 174.74 3iaq n ARG 961 N -0.55 1.62 -4.62 4.02 5.12 -1.26 -0.21 116.66 120.79 3iaq n ARG 961 Ca -0.04 -0.93 -0.33 0.00 -1.93 0.00 0.00 57.85 54.62 3iaq n ARG 961 Cb 0.61 -1.39 -0.15 0.00 -1.16 0.00 0.00 32.46 30.36 3iaq n ARG 961 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3iaq s TYR 962 N -1.84 2.77 0.74 -1.55 2.02 -1.26 -1.20 117.35 117.02 3iaq s TYR 962 Ca 0.33 -0.99 -0.11 0.00 -0.37 0.00 0.00 57.07 55.93 3iaq s TYR 962 Cb 0.17 -1.87 0.04 0.00 -0.40 0.00 0.00 41.96 39.90 3iaq s TYR 962 CO 0.27 -0.44 1.08 -1.54 -1.57 0.00 0.00 175.55 173.35 3iaq s SER 963 N 0.72 4.84 0.31 2.29 1.04 -1.26 -4.80 113.70 116.82 3iaq s SER 963 Ca -0.07 1.75 -0.01 0.00 0.48 0.00 0.00 55.95 58.10 3iaq s SER 963 Cb -0.16 -2.51 0.49 0.00 0.10 0.00 0.00 66.02 63.94 3iaq s SER 963 CO 0.01 -1.81 1.96 1.56 0.98 0.00 0.00 173.24 175.94 3iaq h GLN 964 N -0.97 1.03 0.02 4.02 1.08 -1.99 -2.04 115.11 116.27 3iaq h GLN 964 Ca -0.44 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 3iaq h GLN 964 Cb 1.22 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 28.41 3iaq h GLN 964 CO 0.53 0.68 -0.04 0.37 -0.95 0.00 0.00 178.83 179.43 3iaq h GLN 965 N 1.06 -0.07 -0.11 1.46 4.15 -1.99 -2.00 115.11 117.61 3iaq h GLN 965 Ca 0.31 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.74 3iaq h GLN 965 Cb -0.05 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 3iaq h GLN 965 CO -0.08 -0.05 0.06 0.37 -1.93 0.00 0.00 178.83 177.20 3iaq h GLN 966 N -0.08 0.15 -0.96 1.69 4.15 -1.90 -1.46 115.11 116.70 3iaq h GLN 966 Ca 0.01 -0.02 0.17 0.00 0.77 0.00 0.00 58.65 59.58 3iaq h GLN 966 Cb 0.08 -0.03 -0.10 0.00 0.21 0.00 0.00 27.48 27.64 3iaq h GLN 966 CO -0.02 0.18 0.56 -0.07 -1.93 0.00 0.00 178.83 177.55 3iaq h LEU 967 N 0.08 0.73 0.00 -2.39 3.38 -1.23 0.20 115.31 116.08 3iaq h LEU 967 Ca 0.04 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3iaq h LEU 967 Cb 0.07 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3iaq h LEU 967 CO -0.01 0.29 -0.40 0.00 0.09 0.00 0.00 178.44 178.41 3iaq h MET 968 N 0.76 0.00 -0.01 1.13 -0.00 -1.15 -3.27 114.93 112.39 3iaq h MET 968 Ca 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.23 3iaq h MET 968 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.36 3iaq h MET 968 CO -0.36 0.00 -0.30 0.39 -0.00 0.00 0.00 176.91 176.64 3iaq n GLU 969 N -2.74 0.85 -4.63 -0.10 1.02 -0.25 -4.88 120.64 109.90 3iaq n GLU 969 Ca 0.03 -0.53 -0.33 0.00 -0.02 0.00 0.00 57.16 56.31 3iaq n GLU 969 Cb 0.51 -1.49 -0.16 0.00 -0.02 0.00 0.00 31.44 30.29 3iaq n GLU 969 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3iaq s THR 970 N -2.52 2.45 -0.95 2.62 2.01 -0.11 -5.02 115.64 114.13 3iaq s THR 970 Ca 0.23 -0.85 0.23 0.00 0.31 0.00 0.00 61.69 61.61 3iaq s THR 970 Cb 0.19 -2.01 -0.12 0.00 0.01 0.00 0.00 72.50 70.56 3iaq s THR 970 CO 0.53 0.53 1.12 -1.54 -0.69 0.00 0.00 174.62 174.57 3iaq n SER 971 N 4.00 0.75 -3.88 3.53 3.41 -1.26 -4.26 113.62 115.91 3iaq n SER 971 Ca -0.19 -0.61 -0.14 0.00 -0.26 0.00 0.00 58.87 57.67 3iaq n SER 971 Cb 0.52 0.68 -0.15 0.00 -0.26 0.00 0.00 64.21 65.00 3iaq n SER 971 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3iaq s HIS 972 N -3.02 0.20 0.46 7.33 3.76 -1.26 -4.49 115.29 118.27 3iaq s HIS 972 Ca 0.09 -0.02 0.13 0.00 -0.15 0.00 0.00 55.06 55.11 3iaq s HIS 972 Cb 0.16 -0.19 1.07 0.00 1.11 0.00 0.00 32.58 34.74 3iaq s HIS 972 CO 0.79 -0.03 2.07 0.07 -0.85 0.00 0.00 174.74 176.79 3iaq h ARG 973 N 6.41 0.15 0.00 1.40 0.11 -1.19 -2.16 114.38 119.10 3iaq h ARG 973 Ca -0.31 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.76 3iaq h ARG 973 Cb 1.18 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.23 3iaq h ARG 973 CO 0.50 0.16 0.00 1.12 0.10 0.00 0.00 179.97 181.85 3iaq h HIS 974 N 0.15 0.00 -0.00 4.08 2.07 -1.93 -2.61 115.15 116.90 3iaq h HIS 974 Ca 0.04 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.56 3iaq h HIS 974 Cb 0.10 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.08 3iaq h HIS 974 CO 0.00 0.00 -0.15 1.28 -3.07 0.00 0.00 177.93 175.99 3iaq n LEU 975 N -3.01 0.42 -4.73 6.12 4.77 -0.81 -4.88 117.00 114.87 3iaq n LEU 975 Ca 0.01 0.07 -0.41 0.00 -0.03 0.00 0.00 56.01 55.65 3iaq n LEU 975 Cb 0.33 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 3iaq n LEU 975 CO 0.28 0.08 0.87 -0.76 -1.33 0.00 0.00 177.39 176.53 3iaq s LEU 976 N -2.62 4.42 0.02 2.23 1.43 -0.99 -5.05 118.68 118.13 3iaq s LEU 976 Ca 0.24 2.12 0.05 0.00 -1.03 0.00 0.00 54.13 55.51 3iaq s LEU 976 Cb 0.20 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.79 3iaq s LEU 976 CO 0.51 -0.39 -0.12 -1.38 0.23 0.00 0.00 176.35 175.20 3iaq s HIS 977 N 0.38 2.73 -0.01 0.29 -3.43 -1.26 -5.09 115.29 108.90 3iaq s HIS 977 Ca 0.55 -0.15 -0.30 0.00 -0.80 0.00 0.00 55.06 54.36 3iaq s HIS 977 Cb -0.31 -1.54 -0.06 0.00 -1.43 0.00 0.00 32.58 29.25 3iaq s HIS 977 CO 0.33 0.31 1.48 0.00 -2.00 0.00 0.00 174.74 174.87 3iaq s ALA 978 N -0.96 3.61 0.65 -1.38 0.00 -1.26 -4.81 121.76 117.61 3iaq s ALA 978 Ca 0.16 0.93 -0.10 0.00 0.00 0.00 0.00 51.96 52.95 3iaq s ALA 978 Cb -0.11 -3.64 -0.01 0.00 0.00 0.00 0.00 23.12 19.37 3iaq s ALA 978 CO 0.07 -1.05 1.03 -1.21 0.00 0.00 0.00 175.76 174.61 3iaq s GLU 979 N 2.78 3.12 0.20 0.00 2.02 -0.34 -5.00 118.70 121.47 3iaq s GLU 979 Ca 0.67 0.47 -0.32 0.00 0.02 0.00 0.00 54.97 55.81 3iaq s GLU 979 Cb -0.33 -2.09 -0.11 0.00 0.10 0.00 0.00 34.13 31.70 3iaq s GLU 979 CO 0.27 -0.81 1.66 -2.00 0.02 0.00 0.00 175.26 174.41 3iaq s GLU 980 N -5.23 4.15 2.86 1.61 2.12 -1.26 -4.72 118.70 118.23 3iaq s GLU 980 Ca 0.56 2.53 0.00 0.00 0.36 0.00 0.00 54.97 58.42 3iaq s GLU 980 Cb -0.11 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 31.18 3iaq s GLU 980 CO 0.51 -0.70 0.00 0.41 -0.54 0.00 0.00 175.26 174.94 3iaq n GLY 981 N 3.79 0.12 2.99 -1.50 0.00 -1.26 -4.86 105.19 104.48 3iaq n GLY 981 Ca 0.15 -0.96 -0.25 0.00 0.00 0.00 0.00 46.02 44.96 3iaq n GLY 981 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iaq s THR 982 N 0.00 1.09 0.06 2.61 2.01 -0.12 -4.70 115.64 116.60 3iaq s THR 982 Ca 0.00 -0.42 -0.28 0.00 0.31 0.00 0.00 61.69 61.29 3iaq s THR 982 Cb 0.00 -1.03 -0.05 0.00 0.01 0.00 0.00 72.50 71.43 3iaq s THR 982 CO 0.00 0.35 0.90 0.26 -0.69 0.00 0.00 174.62 175.45 3iaq s TRP 983 N 0.92 3.75 -0.10 4.92 0.52 0.71 -0.94 118.94 128.73 3iaq s TRP 983 Ca -0.10 1.67 0.03 0.00 0.02 0.00 0.00 56.10 57.73 3iaq s TRP 983 Cb -0.15 -3.00 0.00 0.00 -1.15 0.00 0.00 33.47 29.18 3iaq s TRP 983 CO 0.01 0.18 -0.22 -1.17 0.02 0.00 0.00 176.95 175.77 3iaq s LEU 984 N 0.22 2.01 -0.44 2.99 2.96 -0.46 -1.78 118.68 124.17 3iaq s LEU 984 Ca 0.45 -0.53 0.04 0.00 -0.22 0.00 0.00 54.13 53.88 3iaq s LEU 984 Cb -0.22 -1.32 0.12 0.00 0.50 0.00 0.00 46.19 45.27 3iaq s LEU 984 CO 0.27 0.12 0.18 0.20 -1.32 0.00 0.00 176.35 175.80 3iaq s ASN 985 N 0.51 4.45 -0.38 3.68 0.01 -0.39 -2.32 114.94 120.51 3iaq s ASN 985 Ca -0.15 -2.65 -0.16 0.00 -0.71 0.00 0.00 52.86 49.18 3iaq s ASN 985 Cb -0.17 -1.60 0.00 0.00 0.41 0.00 0.00 41.25 39.89 3iaq s ASN 985 CO 0.06 -0.29 0.39 -0.63 -1.51 0.00 0.00 177.10 175.12 3iaq s ILE 986 N 0.22 5.14 -0.11 0.60 1.01 -0.75 -1.99 121.20 125.31 3iaq s ILE 986 Ca 0.15 -0.14 -0.03 0.00 0.00 0.00 0.00 60.65 60.62 3iaq s ILE 986 Cb -0.23 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 3iaq s ILE 986 CO -0.04 -0.24 0.03 -1.81 0.00 0.00 0.00 174.94 172.88 3iaq s ASP 987 N 1.76 5.41 0.19 3.58 1.01 0.32 0.23 116.67 129.18 3iaq s ASP 987 Ca 0.12 0.16 0.01 0.00 0.71 0.00 0.00 52.55 53.55 3iaq s ASP 987 Cb -0.17 -1.65 0.09 0.00 1.01 0.00 0.00 42.92 42.20 3iaq s ASP 987 CO 0.12 0.34 1.45 1.23 0.21 0.00 0.00 175.17 178.52 3iaq h GLY 988 N 5.49 0.32 -5.11 0.21 0.00 -0.54 0.50 103.07 103.93 3iaq h GLY 988 Ca -0.48 -0.47 -0.15 0.00 0.00 0.00 0.00 47.33 46.23 3iaq h GLY 988 CO 0.58 0.42 -0.38 -1.36 0.00 0.00 0.00 176.54 175.80 3iaq s PHE 989 N -3.51 -0.24 -0.03 5.60 0.08 -0.82 -4.67 117.98 114.38 3iaq s PHE 989 Ca -0.04 0.56 0.01 0.00 0.12 0.00 0.00 56.93 57.57 3iaq s PHE 989 Cb 0.11 0.09 0.03 0.00 -0.57 0.00 0.00 43.02 42.67 3iaq s PHE 989 CO 0.82 -0.21 -0.01 -1.58 -0.10 0.00 0.00 175.22 174.15 3iaq s HIS 990 N -0.31 0.40 0.61 0.36 2.46 -1.26 -0.36 115.29 117.20 3iaq s HIS 990 Ca -0.04 -0.04 -0.19 0.00 0.47 0.00 0.00 55.06 55.25 3iaq s HIS 990 Cb -0.03 -0.46 -0.02 0.00 -0.13 0.00 0.00 32.58 31.94 3iaq s HIS 990 CO 0.01 -0.14 1.33 1.41 -2.47 0.00 0.00 174.74 174.88 3iaq s MET 991 N 0.98 2.74 0.90 2.88 1.75 0.79 -4.72 119.30 124.61 3iaq s MET 991 Ca -0.10 2.15 -0.12 0.00 -1.25 0.00 0.00 55.69 56.37 3iaq s MET 991 Cb -0.14 -1.99 0.10 0.00 2.84 0.00 0.00 34.83 35.64 3iaq s MET 991 CO -0.01 -1.48 0.92 0.41 -0.65 0.00 0.00 175.02 174.21 3iaq n GLY 992 N 0.85 -0.84 0.09 2.11 0.00 -0.00 -4.78 105.19 102.62 3iaq n GLY 992 Ca 0.14 -0.68 -0.04 0.00 0.00 0.00 0.00 46.02 45.44 3iaq n GLY 992 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3iaq h ILE 993 N -1.59 0.70 -0.95 -0.61 3.07 -1.92 -3.48 117.51 112.74 3iaq h ILE 993 Ca -0.44 -2.36 0.01 0.00 1.55 0.00 0.00 64.86 63.62 3iaq h ILE 993 Cb 1.28 2.24 -0.00 0.00 -0.27 0.00 0.00 36.82 40.07 3iaq h ILE 993 CO 0.40 0.40 -0.02 0.61 -1.05 0.00 0.00 178.15 178.49 3iaq n GLY 994 N 1.46 -1.61 0.00 0.16 0.00 -1.26 -4.72 105.19 99.21 3iaq n GLY 994 Ca -0.12 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.66 3iaq n GLY 994 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iaq n GLY 995 N -0.20 -0.84 0.36 -0.02 0.00 -1.25 -1.74 105.19 101.51 3iaq n GLY 995 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3iaq n GLY 995 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3iaq h ASP 996 N 0.00 0.40 -3.13 1.61 3.32 -1.82 0.18 116.42 116.97 3iaq h ASP 996 Ca 0.00 0.01 -0.18 0.00 0.02 0.00 0.00 57.03 56.89 3iaq h ASP 996 Cb 0.00 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 3iaq h ASP 996 CO 0.00 0.23 -0.08 -0.90 -1.72 0.00 0.00 179.24 176.77 3iaq n ASP 997 N -4.47 -0.94 -1.93 6.45 5.68 -1.26 -4.15 116.55 115.92 3iaq n ASP 997 Ca 0.12 -2.25 -0.05 0.00 -0.50 0.00 0.00 54.79 52.12 3iaq n ASP 997 Cb 0.43 1.74 0.06 0.00 -1.14 0.00 0.00 41.12 42.22 3iaq n ASP 997 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3iaq n SER 998 N -1.77 2.41 0.00 -1.12 7.64 -1.26 -4.75 113.62 114.77 3iaq n SER 998 Ca 0.00 -2.83 0.00 0.00 1.01 0.00 0.00 58.87 57.05 3iaq n SER 998 Cb 0.39 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 3iaq n SER 998 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 3iaq n TRP 999 N -0.49 0.00 -3.50 1.43 2.14 -1.26 -4.17 117.44 111.59 3iaq n TRP 999 Ca 0.19 0.00 -0.14 0.00 2.07 0.00 0.00 57.50 59.62 3iaq n TRP 999 Cb 0.90 0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 31.36 3iaq n TRP 999 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 3iaq s SER 1000N 0.00 -0.54 -0.07 -0.67 1.04 -1.26 -4.49 113.70 107.71 3iaq s SER 1000Ca 0.00 0.20 -0.38 0.00 0.48 0.00 0.00 55.95 56.25 3iaq s SER 1000Cb 0.00 0.55 -0.16 0.00 0.10 0.00 0.00 66.02 66.51 3iaq s SER 1000CO 0.00 -0.81 1.52 -2.65 0.98 0.00 0.00 173.24 172.28 3iaq n PRO 1001N 0.15 1.16 0.00 4.02 -0.02 -1.26 -4.82 135.00 134.23 3iaq n PRO 1001Ca -0.18 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 3iaq n PRO 1001Cb 0.62 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 3iaq n PRO 1001CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3iaq n SER 1002N 3.77 0.10 -4.66 2.55 3.41 -1.26 -5.02 113.62 112.51 3iaq n SER 1002Ca 0.22 -0.31 -0.42 0.00 -0.26 0.00 0.00 58.87 58.09 3iaq n SER 1002Cb 0.17 0.65 -0.03 0.00 -0.26 0.00 0.00 64.21 64.74 3iaq n SER 1002CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3iaq s VAL 1003N -0.67 3.60 0.52 -3.33 1.01 -1.26 -4.53 120.40 115.75 3iaq s VAL 1003Ca 0.00 0.79 -0.22 0.00 0.00 0.00 0.00 61.98 62.55 3iaq s VAL 1003Cb 0.00 -3.51 -0.06 0.00 0.00 0.00 0.00 36.38 32.82 3iaq s VAL 1003CO 0.00 -0.06 1.31 -0.55 0.00 0.00 0.00 175.10 175.81 3iaq s SER 1004N 3.03 5.52 0.54 3.32 0.15 -1.26 -4.90 113.70 120.10 3iaq s SER 1004Ca 0.71 2.66 0.24 0.00 0.70 0.00 0.00 55.95 60.26 3iaq s SER 1004Cb -0.33 -2.63 1.41 0.00 -1.71 0.00 0.00 66.02 62.76 3iaq s SER 1004CO 0.28 -1.39 2.03 0.00 1.20 0.00 0.00 173.24 175.36 3iaq h ALA 1005N 1.65 2.35 0.00 5.45 0.00 -1.97 0.07 119.26 126.80 3iaq h ALA 1005Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3iaq h ALA 1005Cb 1.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3iaq h ALA 1005CO 0.58 -0.52 0.00 -0.85 0.00 0.00 0.00 179.25 178.46 3iaq n GLU 1006N -4.32 0.18 -0.53 0.00 0.00 -1.26 -2.68 120.64 112.02 3iaq n GLU 1006Ca 0.07 0.02 0.05 0.00 0.00 0.00 0.00 57.16 57.30 3iaq n GLU 1006Cb 0.50 -1.50 0.24 0.00 0.00 0.00 0.00 31.44 30.69 3iaq n GLU 1006CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3iaq n PHE 1007N -1.41 1.01 -4.30 -1.84 3.72 0.01 -4.98 117.46 109.68 3iaq n PHE 1007Ca 0.10 -1.06 -0.35 0.00 -0.05 0.00 0.00 57.45 56.09 3iaq n PHE 1007Cb 0.28 -0.37 -0.10 0.00 -0.94 0.00 0.00 39.48 38.36 3iaq n PHE 1007CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3iaq s GLN 1008N -2.93 3.21 -1.25 -1.08 -0.21 -1.09 -0.82 119.66 115.47 3iaq s GLN 1008Ca 0.43 -0.39 -0.17 0.00 0.02 0.00 0.00 55.36 55.25 3iaq s GLN 1008Cb 0.36 -2.88 0.10 0.00 1.00 0.00 0.00 33.01 31.58 3iaq s GLN 1008CO 0.07 0.61 1.63 -0.51 -2.12 0.00 0.00 175.29 174.97 3iaq s LEU 1009N -0.62 4.17 -0.05 2.90 1.43 -1.26 -4.64 118.68 120.60 3iaq s LEU 1009Ca 0.10 -2.54 0.07 0.00 -1.03 0.00 0.00 54.13 50.74 3iaq s LEU 1009Cb -0.12 -2.53 0.11 0.00 0.03 0.00 0.00 46.19 43.69 3iaq s LEU 1009CO 0.02 -1.07 1.02 -1.54 0.23 0.00 0.00 176.35 175.01 3iaq n SER 1010N 7.65 1.82 0.08 2.29 3.41 -1.26 -4.20 113.62 123.42 3iaq n SER 1010Ca 0.44 -2.34 0.11 0.00 -0.26 0.00 0.00 58.87 56.83 3iaq n SER 1010Cb 0.45 -0.18 0.45 0.00 -0.26 0.00 0.00 64.21 64.67 3iaq n SER 1010CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iaq n ALA 1011N -0.79 1.88 0.00 7.33 0.00 -1.26 -4.91 120.51 122.77 3iaq n ALA 1011Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3iaq n ALA 1011Cb 0.46 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3iaq n ALA 1011CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iaq n GLY 1012N 0.48 1.63 2.80 0.00 0.00 -1.26 -4.87 105.19 103.97 3iaq n GLY 1012Ca 0.04 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 3iaq n GLY 1012CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iaq s ARG 1013N 0.00 0.44 0.02 1.61 0.52 -1.26 0.33 118.95 120.61 3iaq s ARG 1013Ca 0.00 0.09 0.06 0.00 -0.52 0.00 0.00 55.73 55.35 3iaq s ARG 1013Cb 0.00 -0.68 -0.02 0.00 0.52 0.00 0.00 34.95 34.77 3iaq s ARG 1013CO 0.00 -0.19 -0.16 0.71 0.02 0.00 0.00 175.30 175.67 3iaq s TYR 1014N 1.39 1.45 -0.02 -0.53 1.51 -0.15 -4.99 117.35 116.02 3iaq s TYR 1014Ca -0.04 -0.33 0.05 0.00 -1.01 0.00 0.00 57.07 55.74 3iaq s TYR 1014Cb -0.13 -0.88 -0.01 0.00 -0.11 0.00 0.00 41.96 40.82 3iaq s TYR 1014CO -0.02 0.03 -0.17 -1.58 -1.11 0.00 0.00 175.55 172.70 3iaq s HIS 1015N -0.68 1.57 0.05 2.71 5.65 -1.26 -1.06 115.29 122.26 3iaq s HIS 1015Ca 0.05 -0.33 -0.25 0.00 0.25 0.00 0.00 55.06 54.78 3iaq s HIS 1015Cb -0.08 -1.02 0.06 0.00 -1.18 0.00 0.00 32.58 30.37 3iaq s HIS 1015CO 0.01 -0.05 0.59 1.52 -0.65 0.00 0.00 174.74 176.16 3iaq s TYR 1016N -0.31 -0.53 -0.02 3.88 -0.85 -0.68 -5.03 117.35 113.81 3iaq s TYR 1016Ca 0.05 0.64 0.00 0.00 -0.52 0.00 0.00 57.07 57.24 3iaq s TYR 1016Cb -0.08 0.42 0.02 0.00 0.38 0.00 0.00 41.96 42.71 3iaq s TYR 1016CO -0.00 -0.69 -0.00 1.14 -1.52 0.00 0.00 175.55 174.48 3iaq s GLN 1017N -2.41 0.21 0.07 -3.49 -2.07 -1.26 -0.70 119.66 110.01 3iaq s GLN 1017Ca -0.05 0.05 0.10 0.00 -1.82 0.00 0.00 55.36 53.64 3iaq s GLN 1017Cb -0.01 -0.36 -0.03 0.00 -1.09 0.00 0.00 33.01 31.52 3iaq s GLN 1017CO -0.01 -0.09 -0.26 -0.51 -1.32 0.00 0.00 175.29 173.10 3iaq s LEU 1018N 0.76 2.21 -0.20 2.60 1.43 -0.48 -4.35 118.68 120.65 3iaq s LEU 1018Ca -0.07 -0.63 -0.02 0.00 -1.03 0.00 0.00 54.13 52.38 3iaq s LEU 1018Cb -0.10 -1.23 -0.00 0.00 0.03 0.00 0.00 46.19 44.88 3iaq s LEU 1018CO -0.02 0.22 -0.09 -0.69 0.23 0.00 0.00 176.35 176.01 3iaq s VAL 1019N -0.88 3.00 -0.21 -1.59 1.01 -0.08 -0.11 120.40 121.54 3iaq s VAL 1019Ca 0.12 -0.62 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 3iaq s VAL 1019Cb -0.10 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 3iaq s VAL 1019CO 0.03 0.46 0.01 0.86 0.00 0.00 0.00 175.10 176.47 3iaq s TRP 1020N 1.36 3.05 0.26 5.22 -0.11 0.39 -1.16 118.94 127.95 3iaq s TRP 1020Ca 0.05 -0.46 -0.01 0.00 1.22 0.00 0.00 56.10 56.89 3iaq s TRP 1020Cb -0.14 -2.12 -0.03 0.00 -1.50 0.00 0.00 33.47 29.68 3iaq s TRP 1020CO -0.05 -0.27 0.27 0.00 -4.62 0.00 0.00 176.95 172.27 3iaq s GLN 1022N -3.82 1.50 0.00 0.00 -0.44 -1.26 -1.70 119.66 113.93 3iaq s GLN 1022Ca 0.35 -1.59 0.27 0.00 -2.50 0.00 0.00 55.36 51.90 3iaq s GLN 1022Cb 0.04 -2.92 0.90 0.00 -1.64 0.00 0.00 33.01 29.39 3iaq s GLN 1022CO 0.16 -0.85 1.66 0.36 0.50 0.00 0.00 175.29 177.12