#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 3.48 -0.07 5.56 1.74 -1.26 -4.91 116.66 121.20 3iaq n ARG 14 Ca 0.00 -4.57 0.11 0.00 -0.77 0.00 0.00 57.85 52.63 3iaq n ARG 14 Cb 0.00 -2.42 0.50 0.00 -1.02 0.00 0.00 32.46 29.52 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 5.27 0.35 0.00 0.55 3.32 -1.94 -1.08 116.42 122.89 3iaq h ASP 15 Ca 0.19 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3iaq h ASP 15 Cb 0.69 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3iaq h ASP 15 CO 1.07 0.22 0.00 -2.67 -1.72 0.00 0.00 179.24 176.14 3iaq n TRP 16 N -4.47 0.00 -2.43 4.55 2.14 -1.26 -2.78 117.44 113.19 3iaq n TRP 16 Ca 0.09 0.00 -0.10 0.00 2.07 0.00 0.00 57.50 59.56 3iaq n TRP 16 Cb 0.35 0.00 0.04 0.00 -0.81 0.00 0.00 31.31 30.89 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 -0.53 2.51 -3.22 -2.67 1.02 -0.41 -0.51 120.64 116.83 3iaq n GLU 17 Ca 0.01 -3.75 -0.01 0.00 -0.02 0.00 0.00 57.16 53.39 3iaq n GLU 17 Cb 0.01 -1.86 -0.03 0.00 -0.02 0.00 0.00 31.44 29.54 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 -3.65 -0.79 0.00 1.62 2.47 -1.12 -4.72 114.94 108.76 3iaq s ASN 18 Ca 0.38 0.29 0.18 0.00 0.42 0.00 0.00 52.86 54.13 3iaq s ASN 18 Cb 0.36 1.71 1.01 0.00 -1.45 0.00 0.00 41.25 42.89 3iaq s ASN 18 CO -0.01 -0.30 1.49 -0.81 -3.72 0.00 0.00 177.10 173.76 3iaq n PRO 19 N 5.40 0.45 0.18 0.43 -0.04 -1.26 -1.27 135.00 138.88 3iaq n PRO 19 Ca 0.01 0.04 0.12 0.00 -0.04 0.00 0.00 63.50 63.63 3iaq n PRO 19 Cb 0.51 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.68 3iaq n PRO 19 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3iaq h GLY 20 N 2.85 0.00 -7.62 0.55 0.00 -1.92 -3.38 103.07 93.54 3iaq h GLY 20 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 47.33 46.66 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 -3.20 2.60 -0.15 4.60 1.01 -0.40 -4.90 120.40 119.95 3iaq s VAL 21 Ca 0.07 -2.28 0.17 0.00 0.00 0.00 0.00 61.98 59.94 3iaq s VAL 21 Cb 0.07 -2.87 -0.25 0.00 0.00 0.00 0.00 36.38 33.33 3iaq s VAL 21 CO 0.67 -0.63 0.43 0.35 0.00 0.00 0.00 175.10 175.92 3iaq n THR 22 N 4.33 0.00 -3.55 3.92 -2.24 -1.26 -4.80 114.28 110.68 3iaq n THR 22 Ca 0.02 -0.34 -0.12 0.00 -2.27 0.00 0.00 64.05 61.34 3iaq n THR 22 Cb 0.42 0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 68.86 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 -3.09 1.12 -0.05 -0.78 1.03 -1.26 -0.57 119.66 116.07 3iaq s GLN 23 Ca -0.04 -0.49 -0.00 0.00 0.04 0.00 0.00 55.36 54.87 3iaq s GLN 23 Cb 0.11 0.51 0.03 0.00 0.03 0.00 0.00 33.01 33.69 3iaq s GLN 23 CO 0.71 -0.45 -0.00 -0.51 -2.54 0.00 0.00 175.29 172.50 3iaq s LEU 24 N -2.52 0.94 -1.15 2.60 1.43 0.35 -4.87 118.68 115.45 3iaq s LEU 24 Ca -0.00 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 3iaq s LEU 24 Cb 0.00 -0.33 0.00 0.00 0.03 0.00 0.00 46.19 45.89 3iaq s LEU 24 CO -0.09 -0.13 0.00 0.59 0.23 0.00 0.00 176.35 176.95 3iaq n ASN 25 N 4.52 -5.14 -4.75 2.29 3.02 -1.26 -1.98 115.26 111.96 3iaq n ASN 25 Ca -0.18 0.27 -0.40 0.00 -0.03 0.00 0.00 54.58 54.23 3iaq n ASN 25 Cb 0.50 -3.60 -0.05 0.00 -0.61 0.00 0.00 39.78 36.03 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 -2.78 4.72 0.63 3.52 3.52 -1.26 -4.64 118.95 122.67 3iaq s ARG 26 Ca 0.00 1.63 -0.12 0.00 -0.13 0.00 0.00 55.73 57.11 3iaq s ARG 26 Cb 0.00 -3.26 -0.03 0.00 -1.56 0.00 0.00 34.95 30.10 3iaq s ARG 26 CO 0.00 0.30 1.04 -0.51 -0.81 0.00 0.00 175.30 175.32 3iaq s LEU 27 N -0.97 3.25 0.52 -0.88 1.43 0.15 -5.01 118.68 117.18 3iaq s LEU 27 Ca 0.44 1.52 -0.21 0.00 -1.03 0.00 0.00 54.13 54.86 3iaq s LEU 27 Cb -0.28 -4.49 -0.06 0.00 0.03 0.00 0.00 46.19 41.39 3iaq s LEU 27 CO 0.35 -1.05 1.20 0.00 0.23 0.00 0.00 176.35 177.09 3iaq s ALA 28 N -3.04 2.80 0.61 4.21 0.00 -1.26 -4.59 121.76 120.49 3iaq s ALA 28 Ca 0.57 1.01 -0.17 0.00 0.00 0.00 0.00 51.96 53.37 3iaq s ALA 28 Cb -0.12 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 3iaq s ALA 28 CO 0.51 -0.92 1.11 0.00 0.00 0.00 0.00 175.76 176.46 3iaq s ALA 29 N -1.55 2.59 0.04 0.00 0.00 -1.26 -5.00 121.76 116.58 3iaq s ALA 29 Ca 0.70 0.62 -0.28 0.00 0.00 0.00 0.00 51.96 53.00 3iaq s ALA 29 Cb -0.30 -3.32 0.09 0.00 0.00 0.00 0.00 23.12 19.59 3iaq s ALA 29 CO 0.35 -1.02 0.96 -3.38 0.00 0.00 0.00 175.76 172.67 3iaq s HIS 30 N -2.16 -0.23 0.80 0.00 -3.43 -1.26 -4.84 115.29 104.17 3iaq s HIS 30 Ca 0.68 0.04 -0.11 0.00 -0.80 0.00 0.00 55.06 54.88 3iaq s HIS 30 Cb -0.21 0.58 0.07 0.00 -1.43 0.00 0.00 32.58 31.59 3iaq s HIS 30 CO 0.35 -0.61 1.09 -2.14 -2.00 0.00 0.00 174.74 171.43 3iaq s PRO 31 N -3.10 2.04 -0.05 -0.38 0.02 -1.13 -4.15 135.00 128.26 3iaq s PRO 31 Ca 0.09 1.00 -0.38 0.00 0.02 0.00 0.00 61.00 61.72 3iaq s PRO 31 Cb -0.01 -1.88 -0.16 0.00 0.02 0.00 0.00 34.50 32.47 3iaq s PRO 31 CO -0.04 -1.75 1.51 -2.30 -0.33 0.00 0.00 177.00 174.09 3iaq n PRO 32 N -3.57 1.22 -4.26 5.54 -0.02 -1.26 -4.99 135.00 127.66 3iaq n PRO 32 Ca 0.08 0.44 -0.30 0.00 -2.02 0.00 0.00 63.50 61.70 3iaq n PRO 32 Cb 0.54 -2.11 -0.10 0.00 -0.02 0.00 0.00 33.50 31.81 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 1.72 2.71 0.00 6.00 0.08 -1.26 -4.81 117.98 122.42 3iaq s PHE 33 Ca 0.90 -0.17 0.00 0.00 0.12 0.00 0.00 56.93 57.78 3iaq s PHE 33 Cb -0.98 -1.43 0.00 0.00 -0.57 0.00 0.00 43.02 40.04 3iaq s PHE 33 CO 0.53 0.41 0.03 0.00 -0.10 0.00 0.00 175.22 176.10 3iaq n ALA 34 N 0.77 0.77 -3.87 5.36 0.00 -1.26 -5.01 120.51 117.27 3iaq n ALA 34 Ca -0.14 -0.03 -0.35 0.00 0.00 0.00 0.00 53.44 52.93 3iaq n ALA 34 Cb 0.52 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.31 -4.76 -4.76 0.00 2.88 -1.26 -4.12 113.62 101.30 3iaq n SER 35 Ca 0.00 -1.08 -0.41 0.00 -1.33 0.00 0.00 58.87 56.05 3iaq n SER 35 Cb 0.03 -2.10 -0.02 0.00 -0.75 0.00 0.00 64.21 61.36 3iaq n SER 35 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 3iaq s TRP 36 N -3.30 3.14 -1.57 0.66 0.51 -0.66 -4.63 118.94 113.09 3iaq s TRP 36 Ca 0.29 1.41 0.16 0.00 -2.12 0.00 0.00 56.10 55.85 3iaq s TRP 36 Cb -0.15 -3.62 0.36 0.00 -0.81 0.00 0.00 33.47 29.24 3iaq s TRP 36 CO 0.92 -1.72 1.27 0.54 -0.51 0.00 0.00 176.95 177.45 3iaq n ARG 37 N 1.12 2.37 -4.27 4.98 5.12 -1.26 -0.08 116.66 124.65 3iaq n ARG 37 Ca 0.01 -2.07 -0.25 0.00 -1.93 0.00 0.00 57.85 53.60 3iaq n ARG 37 Cb 0.42 -1.37 -0.17 0.00 -1.16 0.00 0.00 32.46 30.18 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 -1.11 1.92 0.16 0.55 3.84 -1.26 -4.98 114.94 114.06 3iaq s ASN 38 Ca 0.30 -0.30 -0.10 0.00 0.21 0.00 0.00 52.86 52.97 3iaq s ASN 38 Cb 0.17 -0.82 0.01 0.00 -0.55 0.00 0.00 41.25 40.06 3iaq s ASN 38 CO 0.22 -0.04 1.56 0.28 -2.79 0.00 0.00 177.10 176.33 3iaq h SER 39 N 7.51 1.03 -0.18 -4.21 0.02 -1.99 -2.71 113.55 113.02 3iaq h SER 39 Ca -0.31 -0.39 -0.03 0.00 -0.84 0.00 0.00 61.79 60.22 3iaq h SER 39 Cb 1.16 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.40 3iaq h SER 39 CO 0.45 1.19 0.03 -0.08 -1.14 0.00 0.00 176.83 177.28 3iaq h GLU 40 N 0.87 0.40 -0.42 3.45 4.57 -1.99 -0.74 114.58 120.73 3iaq h GLU 40 Ca 0.11 -0.07 -0.12 0.00 -1.18 0.00 0.00 59.36 58.11 3iaq h GLU 40 Cb 0.79 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.29 3iaq h GLU 40 CO 0.07 0.41 -0.22 0.93 -1.18 0.00 0.00 179.01 179.02 3iaq h GLU 41 N 0.40 0.84 -0.27 1.92 5.08 -1.93 -2.72 114.58 117.90 3iaq h GLU 41 Ca 0.09 -0.34 -0.10 0.00 -1.00 0.00 0.00 59.36 58.00 3iaq h GLU 41 Cb 0.22 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3iaq h GLU 41 CO 0.00 0.98 -0.27 0.00 -1.00 0.00 0.00 179.01 178.72 3iaq h ALA 42 N 1.02 1.03 -0.67 3.43 0.00 -1.07 -2.13 119.26 120.86 3iaq h ALA 42 Ca 0.10 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 3iaq h ALA 42 Cb 0.75 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3iaq h ALA 42 CO 0.06 0.58 0.15 -0.09 0.00 0.00 0.00 179.25 179.95 3iaq h ARG 43 N 0.46 1.08 -0.55 0.00 2.43 -0.93 -3.20 114.38 113.67 3iaq h ARG 43 Ca 0.06 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 3iaq h ARG 43 Cb 0.72 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 3iaq h ARG 43 CO 0.06 0.96 0.00 0.25 -1.51 0.00 0.00 179.97 179.73 3iaq n THR 44 N -4.23 1.30 -3.61 0.20 -2.24 -1.05 -4.96 114.28 99.69 3iaq n THR 44 Ca 0.05 -1.12 -0.25 0.00 -2.27 0.00 0.00 64.05 60.47 3iaq n THR 44 Cb 0.26 0.35 0.07 0.00 -2.10 0.00 0.00 70.33 68.92 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 0.99 -6.21 -4.89 3.42 2.03 -0.92 -4.98 116.55 105.98 3iaq n ASP 45 Ca 0.20 -0.56 -0.29 0.00 0.52 0.00 0.00 54.79 54.67 3iaq n ASP 45 Cb 0.64 -4.90 0.02 0.00 -0.72 0.00 0.00 41.12 36.17 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 -6.33 3.33 0.47 -0.67 0.52 -0.85 -5.01 118.95 110.41 3iaq s ARG 46 Ca 0.59 0.42 -0.23 0.00 -0.52 0.00 0.00 55.73 55.98 3iaq s ARG 46 Cb -0.26 -2.18 -0.08 0.00 0.52 0.00 0.00 34.95 32.94 3iaq s ARG 46 CO 0.72 -0.58 1.17 -2.30 0.02 0.00 0.00 175.30 174.33 3iaq n PRO 47 N -2.64 1.59 -4.45 3.54 -0.02 -1.26 -4.88 135.00 126.88 3iaq n PRO 47 Ca 0.04 0.57 -0.34 0.00 -2.02 0.00 0.00 63.50 61.76 3iaq n PRO 47 Cb 0.55 -2.29 -0.12 0.00 -0.02 0.00 0.00 33.50 31.62 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 -0.75 4.80 0.57 2.55 0.15 -1.26 -4.99 113.70 114.77 3iaq s SER 48 Ca 0.65 -0.08 0.26 0.00 0.70 0.00 0.00 55.95 57.49 3iaq s SER 48 Cb -0.49 -1.63 1.67 0.00 -1.71 0.00 0.00 66.02 63.86 3iaq s SER 48 CO 0.55 0.23 2.20 1.56 1.20 0.00 0.00 173.24 178.98 3iaq h GLN 49 N 6.26 0.00 -0.00 5.44 1.08 -1.91 -2.14 115.11 123.84 3iaq h GLN 49 Ca -0.36 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.84 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 0.60 0.00 -0.07 1.04 -0.95 0.00 0.00 178.83 179.45 3iaq n GLN 50 N -4.00 0.53 -3.78 1.46 3.00 -1.26 -4.23 117.38 109.09 3iaq n GLN 50 Ca -0.02 -0.11 -0.30 0.00 -0.01 0.00 0.00 57.00 56.56 3iaq n GLN 50 Cb 0.14 -1.50 -0.10 0.00 0.00 0.00 0.00 30.24 28.78 3iaq n GLN 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 3iaq n LEU 51 N -1.14 3.44 -4.75 1.08 7.94 -0.80 -1.45 117.00 121.32 3iaq n LEU 51 Ca 0.14 -5.22 -0.41 0.00 -1.11 0.00 0.00 56.01 49.41 3iaq n LEU 51 Cb 0.26 -0.84 -0.04 0.00 0.53 0.00 0.00 43.42 43.33 3iaq n LEU 51 CO 0.24 1.74 0.77 -0.13 -1.11 0.00 0.00 177.39 178.90 3iaq s ARG 52 N -1.57 4.64 -0.07 1.96 0.52 -0.73 -4.79 118.95 118.91 3iaq s ARG 52 Ca 0.27 1.71 -0.22 0.00 -0.52 0.00 0.00 55.73 56.96 3iaq s ARG 52 Cb -0.03 -3.25 -0.04 0.00 0.52 0.00 0.00 34.95 32.15 3iaq s ARG 52 CO -0.14 0.18 0.66 0.45 0.02 0.00 0.00 175.30 176.46 3iaq s SER 53 N -0.47 6.94 -0.20 0.23 0.15 -1.26 -1.23 113.70 117.86 3iaq s SER 53 Ca 0.47 1.13 0.15 0.00 0.70 0.00 0.00 55.95 58.40 3iaq s SER 53 Cb -0.30 -2.39 0.77 0.00 -1.71 0.00 0.00 66.02 62.40 3iaq s SER 53 CO 0.36 -0.09 1.70 0.18 1.20 0.00 0.00 173.24 176.59 3iaq n LEU 54 N 3.71 5.35 -4.78 3.45 4.77 0.78 -4.93 117.00 125.36 3iaq n LEU 54 Ca -0.02 -2.82 -0.32 0.00 -0.03 0.00 0.00 56.01 52.82 3iaq n LEU 54 Cb 0.51 -0.65 0.05 0.00 -2.33 0.00 0.00 43.42 41.01 3iaq n LEU 54 CO 0.46 0.68 0.73 0.20 -1.33 0.00 0.00 177.39 178.13 3iaq s ASN 55 N -0.92 5.04 0.00 -1.43 -0.87 -1.22 -4.83 114.94 110.71 3iaq s ASN 55 Ca 0.53 1.91 0.00 0.00 -1.57 0.00 0.00 52.86 53.73 3iaq s ASN 55 Cb 0.39 -2.54 0.00 0.00 -0.02 0.00 0.00 41.25 39.08 3iaq s ASN 55 CO 0.18 -1.68 0.00 0.61 -2.57 0.00 0.00 177.10 173.64 3iaq n GLY 56 N -0.84 0.36 3.60 0.66 0.00 0.20 -5.00 105.19 104.16 3iaq n GLY 56 Ca 0.10 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.24 3.84 0.41 1.61 2.02 -1.26 0.21 118.70 124.29 3iaq s GLU 57 Ca 0.00 0.38 0.07 0.00 0.02 0.00 0.00 54.97 55.44 3iaq s GLU 57 Cb 0.00 -3.77 -0.05 0.00 0.10 0.00 0.00 34.13 30.41 3iaq s GLU 57 CO 0.00 -0.74 0.18 -1.58 0.02 0.00 0.00 175.26 173.15 3iaq s TRP 58 N 2.94 2.62 -0.10 1.61 0.52 0.19 -4.92 118.94 121.80 3iaq s TRP 58 Ca 0.30 -0.57 -0.06 0.00 0.02 0.00 0.00 56.10 55.80 3iaq s TRP 58 Cb -0.14 -1.94 -0.04 0.00 -1.15 0.00 0.00 33.47 30.20 3iaq s TRP 58 CO 0.14 0.19 0.13 1.03 0.02 0.00 0.00 176.95 178.47 3iaq s ARG 59 N -3.91 3.40 -0.11 4.98 1.81 -0.54 0.07 118.95 124.65 3iaq s ARG 59 Ca 0.41 -0.19 -0.09 0.00 -1.72 0.00 0.00 55.73 54.14 3iaq s ARG 59 Cb 0.03 -3.14 0.03 0.00 -0.45 0.00 0.00 34.95 31.42 3iaq s ARG 59 CO 0.23 0.76 0.28 0.12 -0.68 0.00 0.00 175.30 176.00 3iaq s PHE 60 N -1.07 -0.32 -0.02 -0.53 5.36 -0.14 -1.55 117.98 119.72 3iaq s PHE 60 Ca 0.17 0.76 0.01 0.00 -0.96 0.00 0.00 56.93 56.91 3iaq s PHE 60 Cb -0.12 0.10 0.01 0.00 -0.34 0.00 0.00 43.02 42.67 3iaq s PHE 60 CO 0.06 -0.16 -0.02 0.00 -1.46 0.00 0.00 175.22 173.63 3iaq s ALA 61 N 0.34 0.33 0.05 11.12 0.00 -0.92 -1.12 121.76 131.56 3iaq s ALA 61 Ca -0.02 -0.03 -0.16 0.00 0.00 0.00 0.00 51.96 51.76 3iaq s ALA 61 Cb -0.03 -0.19 -0.06 0.00 0.00 0.00 0.00 23.12 22.84 3iaq s ALA 61 CO -0.01 0.02 0.47 -0.46 0.00 0.00 0.00 175.76 175.78 3iaq s TRP 62 N 0.37 3.72 0.02 0.00 -0.00 -1.26 -1.06 118.94 120.74 3iaq s TRP 62 Ca -0.04 1.07 0.02 0.00 -0.00 0.00 0.00 56.10 57.16 3iaq s TRP 62 Cb -0.07 -2.35 -0.02 0.00 -0.00 0.00 0.00 33.47 31.04 3iaq s TRP 62 CO -0.01 0.59 -0.08 -0.06 -0.00 0.00 0.00 176.95 177.40 3iaq s PHE 63 N -1.17 0.67 0.38 5.86 0.08 0.69 -4.99 117.98 119.51 3iaq s PHE 63 Ca 0.28 -0.31 0.15 0.00 0.12 0.00 0.00 56.93 57.17 3iaq s PHE 63 Cb -0.17 -0.41 0.86 0.00 -0.57 0.00 0.00 43.02 42.73 3iaq s PHE 63 CO 0.16 -0.04 1.88 -1.00 -0.10 0.00 0.00 175.22 176.13 3iaq h PRO 64 N 5.20 0.00 -2.91 0.24 0.13 -1.85 0.29 132.00 133.10 3iaq h PRO 64 Ca -0.33 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.76 3iaq h PRO 64 Cb 1.19 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 3iaq h PRO 64 CO 0.45 0.30 0.08 0.00 -0.23 0.00 0.00 178.00 178.61 3iaq s ALA 65 N -4.27 -1.37 0.56 -0.56 0.00 -1.22 -1.12 121.76 113.77 3iaq s ALA 65 Ca -0.03 0.49 0.24 0.00 0.00 0.00 0.00 51.96 52.66 3iaq s ALA 65 Cb 0.14 0.59 1.52 0.00 0.00 0.00 0.00 23.12 25.37 3iaq s ALA 65 CO 0.70 -0.61 2.13 -1.00 0.00 0.00 0.00 175.76 176.98 3iaq h PRO 66 N 2.46 0.00 0.00 0.00 0.13 -1.89 -1.38 132.00 131.32 3iaq h PRO 66 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3iaq h PRO 66 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3iaq h PRO 66 CO 0.41 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.57 3iaq n GLU 67 N -4.15 0.16 0.01 0.86 4.71 -1.26 -2.54 120.64 118.43 3iaq n GLU 67 Ca 0.01 0.49 0.11 0.00 -0.01 0.00 0.00 57.16 57.76 3iaq n GLU 67 Cb 0.25 -1.86 0.04 0.00 -1.01 0.00 0.00 31.44 28.86 3iaq n GLU 67 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3iaq n ALA 68 N -1.75 3.73 -2.29 0.62 0.00 -0.52 -4.90 120.51 115.40 3iaq n ALA 68 Ca 0.01 -0.44 -0.43 0.00 0.00 0.00 0.00 53.44 52.59 3iaq n ALA 68 Cb 0.15 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.62 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 -3.11 4.00 0.43 0.00 1.01 -1.05 -4.99 120.40 116.69 3iaq s VAL 69 Ca 0.06 1.27 -0.24 0.00 0.00 0.00 0.00 61.98 63.08 3iaq s VAL 69 Cb 0.15 -3.82 -0.08 0.00 0.00 0.00 0.00 36.38 32.64 3iaq s VAL 69 CO 0.79 -0.07 1.12 -2.16 0.00 0.00 0.00 175.10 174.78 3iaq s PRO 70 N 3.22 3.95 0.50 2.72 0.04 -1.26 -4.94 135.00 139.23 3iaq s PRO 70 Ca 0.61 1.67 0.15 0.00 0.04 0.00 0.00 61.00 63.47 3iaq s PRO 70 Cb -0.27 -2.48 1.20 0.00 0.04 0.00 0.00 34.50 32.99 3iaq s PRO 70 CO 0.21 -0.36 2.13 0.93 0.04 0.00 0.00 177.00 179.95 3iaq h GLU 71 N 2.28 0.07 0.00 4.56 3.07 -1.99 -2.67 114.58 119.90 3iaq h GLU 71 Ca -0.49 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 3iaq h GLU 71 Cb 1.23 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 3iaq h GLU 71 CO 0.61 0.06 0.00 0.66 -1.40 0.00 0.00 179.01 178.94 3iaq h SER 72 N 0.07 0.00 -0.21 1.42 4.64 -1.92 -3.00 113.55 114.56 3iaq h SER 72 Ca 0.02 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.28 3iaq h SER 72 Cb 0.01 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 3iaq h SER 72 CO -0.00 0.00 -0.06 -0.25 -0.87 0.00 0.00 176.83 175.65 3iaq h TRP 73 N 0.00 0.57 -0.02 4.77 7.01 -1.58 -1.81 115.95 124.90 3iaq h TRP 73 Ca 0.00 -0.07 0.00 0.00 2.11 0.00 0.00 58.89 60.93 3iaq h TRP 73 Cb 0.26 -0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 27.16 3iaq h TRP 73 CO 0.00 0.60 0.01 -0.07 -2.79 0.00 0.00 178.44 176.19 3iaq h LEU 74 N 0.51 0.01 0.11 0.65 3.38 -1.75 -3.28 115.31 114.94 3iaq h LEU 74 Ca 0.10 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.77 3iaq h LEU 74 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3iaq h LEU 74 CO 0.02 0.01 -1.53 -0.33 0.09 0.00 0.00 178.44 176.70 3iaq h GLU 75 N 0.02 0.23 -3.91 1.13 5.08 -1.76 -3.28 114.58 112.09 3iaq h GLU 75 Ca 0.01 -0.39 -0.21 0.00 -1.00 0.00 0.00 59.36 57.76 3iaq h GLU 75 Cb 0.00 0.15 -0.25 0.00 0.50 0.00 0.00 28.75 29.15 3iaq h GLU 75 CO -0.01 1.09 -0.71 0.00 -1.00 0.00 0.00 179.01 178.37 3iaq n ASP 77 N 2.40 2.20 -4.72 0.00 2.03 -1.26 -3.87 116.55 113.33 3iaq n ASP 77 Ca -0.17 1.03 -0.41 0.00 0.52 0.00 0.00 54.79 55.76 3iaq n ASP 77 Cb 0.58 -1.49 -0.04 0.00 -0.72 0.00 0.00 41.12 39.45 3iaq n ASP 77 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3iaq s LEU 78 N -2.01 4.39 0.48 -2.67 1.43 -1.26 -4.96 118.68 114.07 3iaq s LEU 78 Ca 0.66 1.47 0.23 0.00 -1.03 0.00 0.00 54.13 55.46 3iaq s LEU 78 Cb -0.48 -3.33 1.21 0.00 0.03 0.00 0.00 46.19 43.62 3iaq s LEU 78 CO 0.54 -0.12 1.99 -0.65 0.23 0.00 0.00 176.35 178.34 3iaq h PRO 79 N 6.36 0.00 -0.02 1.29 0.11 -2.02 -2.89 132.00 134.83 3iaq h PRO 79 Ca -0.42 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.57 3iaq h PRO 79 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3iaq h PRO 79 CO 0.74 0.18 -0.57 0.93 -0.21 0.00 0.00 178.00 179.07 3iaq h GLU 80 N 0.00 0.07 -6.41 1.05 3.07 -1.97 -3.46 114.58 106.94 3iaq h GLU 80 Ca -0.00 -0.05 -0.62 0.00 -0.50 0.00 0.00 59.36 58.19 3iaq h GLU 80 Cb 0.44 0.01 0.10 0.00 -0.84 0.00 0.00 28.75 28.45 3iaq h GLU 80 CO 0.02 0.62 0.17 0.00 -1.40 0.00 0.00 179.01 178.42 3iaq n ALA 81 N -2.44 -0.49 -2.59 3.43 0.00 -1.09 -4.98 120.51 112.34 3iaq n ALA 81 Ca -0.02 0.42 -0.26 0.00 0.00 0.00 0.00 53.44 53.58 3iaq n ALA 81 Cb 0.58 -2.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.00 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 -0.34 6.35 -0.21 0.00 1.01 -0.28 -4.83 116.67 118.38 3iaq s ASP 82 Ca 0.64 0.58 -0.19 0.00 0.71 0.00 0.00 52.55 54.29 3iaq s ASP 82 Cb -0.76 -2.09 -0.03 0.00 1.01 0.00 0.00 42.92 41.05 3iaq s ASP 82 CO 0.57 -0.26 0.57 -0.89 0.21 0.00 0.00 175.17 175.37 3iaq s THR 83 N -2.23 5.06 0.13 -1.27 2.01 -1.26 -0.96 115.64 117.12 3iaq s THR 83 Ca 0.42 1.06 0.04 0.00 0.31 0.00 0.00 61.69 63.51 3iaq s THR 83 Cb -0.10 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 3iaq s THR 83 CO 0.34 0.13 -0.10 0.68 -0.69 0.00 0.00 174.62 174.98 3iaq s VAL 84 N 1.87 1.06 0.20 3.82 -7.23 0.11 -4.95 120.40 115.29 3iaq s VAL 84 Ca 0.26 -1.97 -0.29 0.00 -1.81 0.00 0.00 61.98 58.16 3iaq s VAL 84 Cb -0.16 -1.74 -0.08 0.00 0.56 0.00 0.00 36.38 34.96 3iaq s VAL 84 CO 0.10 -0.74 0.92 -0.69 -0.31 0.00 0.00 175.10 174.38 3iaq s VAL 85 N -3.23 4.20 -0.04 1.32 1.01 -1.26 0.54 120.40 122.94 3iaq s VAL 85 Ca 0.14 2.02 0.02 0.00 0.00 0.00 0.00 61.98 64.16 3iaq s VAL 85 Cb 0.02 -4.30 0.01 0.00 0.00 0.00 0.00 36.38 32.12 3iaq s VAL 85 CO -0.00 0.47 -0.08 -0.69 0.00 0.00 0.00 175.10 174.80 3iaq s VAL 86 N -0.96 0.77 0.55 2.92 1.01 0.13 -4.08 120.40 120.74 3iaq s VAL 86 Ca 0.41 -0.31 -0.19 0.00 0.00 0.00 0.00 61.98 61.89 3iaq s VAL 86 Cb -0.25 -0.71 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 3iaq s VAL 86 CO 0.31 0.26 1.14 -2.16 0.00 0.00 0.00 175.10 174.64 3iaq s PRO 87 N 0.50 3.30 -0.03 2.72 0.04 -1.26 -0.63 135.00 139.63 3iaq s PRO 87 Ca -0.08 1.64 -0.29 0.00 0.04 0.00 0.00 61.00 62.31 3iaq s PRO 87 Cb -0.12 -1.99 0.10 0.00 0.04 0.00 0.00 34.50 32.53 3iaq s PRO 87 CO 0.01 -0.90 0.89 -1.54 0.04 0.00 0.00 177.00 175.50 3iaq s SER 88 N -1.76 -0.38 -0.22 6.66 1.04 -0.65 -4.94 113.70 113.43 3iaq s SER 88 Ca 0.73 0.10 -0.13 0.00 0.48 0.00 0.00 55.95 57.13 3iaq s SER 88 Cb -0.25 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 3iaq s SER 88 CO 0.28 -0.58 0.27 0.20 0.98 0.00 0.00 173.24 174.39 3iaq s ASN 89 N -2.21 6.26 0.58 7.02 -0.87 -1.26 -3.48 114.94 120.99 3iaq s ASN 89 Ca 0.03 0.30 0.38 0.00 -1.57 0.00 0.00 52.86 52.00 3iaq s ASN 89 Cb -0.01 -2.16 1.94 0.00 -0.02 0.00 0.00 41.25 41.00 3iaq s ASN 89 CO -0.07 -0.00 2.16 4.11 -2.57 0.00 0.00 177.10 180.74 3iaq h TRP 90 N 7.45 0.00 -0.85 2.20 0.09 -1.90 0.16 115.95 123.10 3iaq h TRP 90 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.61 3iaq h TRP 90 Cb 1.17 0.00 -0.04 0.00 0.08 0.00 0.00 29.16 30.36 3iaq h TRP 90 CO 0.67 0.00 0.53 1.96 0.09 0.00 0.00 178.44 181.69 3iaq h GLN 91 N 0.00 1.13 0.00 0.12 7.50 -1.81 -2.02 115.11 120.03 3iaq h GLN 91 Ca 0.00 -0.09 0.00 0.00 0.50 0.00 0.00 58.65 59.06 3iaq h GLN 91 Cb 0.17 -0.25 0.00 0.00 0.05 0.00 0.00 27.48 27.46 3iaq h GLN 91 CO 0.00 0.78 0.00 -1.33 -1.50 0.00 0.00 178.83 176.78 3iaq n MET 92 N -4.38 0.45 0.00 1.46 2.81 0.54 -0.86 117.12 117.13 3iaq n MET 92 Ca 0.09 0.05 0.05 0.00 -1.81 0.00 0.00 57.70 56.08 3iaq n MET 92 Cb 0.05 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.04 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 -1.11 0.00 -0.75 2.03 8.25 -0.79 -5.01 115.22 117.84 3iaq n HIS 93 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 3iaq n HIS 93 Cb 0.09 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.20 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 1.03 0.61 0.27 -1.41 0.00 -0.04 -4.96 105.19 100.70 3iaq n GLY 94 Ca 0.04 -0.18 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 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 0.92 -4.35 1.61 0.05 -1.74 -3.45 116.97 110.01 3iaq h TYR 95 Ca 0.00 -0.03 -0.21 0.00 0.05 0.00 0.00 58.73 58.54 3iaq h TYR 95 Cb 0.00 -0.29 -0.13 0.00 1.01 0.00 0.00 36.73 37.32 3iaq h TYR 95 CO 0.00 0.67 -0.46 0.16 -1.05 0.00 0.00 178.16 177.48 3iaq s ASP 96 N -6.01 0.23 0.02 3.88 1.47 -1.26 -5.07 116.67 109.93 3iaq s ASP 96 Ca -0.13 -1.30 -0.29 0.00 1.18 0.00 0.00 52.55 52.01 3iaq s ASP 96 Cb 0.14 0.46 -0.04 0.00 -0.34 0.00 0.00 42.92 43.14 3iaq s ASP 96 CO 0.79 -0.96 0.94 0.00 0.68 0.00 0.00 175.17 176.63 3iaq s ALA 97 N -4.02 3.20 0.41 2.11 0.00 -1.26 -4.36 121.76 117.84 3iaq s ALA 97 Ca 0.34 0.50 -0.25 0.00 0.00 0.00 0.00 51.96 52.55 3iaq s ALA 97 Cb 0.04 -3.28 -0.08 0.00 0.00 0.00 0.00 23.12 19.80 3iaq s ALA 97 CO 0.13 -0.17 1.24 -1.25 0.00 0.00 0.00 175.76 175.71 3iaq s PRO 98 N 0.77 3.98 -0.17 0.00 0.04 -1.26 -5.03 135.00 133.33 3iaq s PRO 98 Ca 0.49 2.00 -0.02 0.00 0.04 0.00 0.00 61.00 63.51 3iaq s PRO 98 Cb -0.21 -2.70 -0.01 0.00 0.04 0.00 0.00 34.50 31.61 3iaq s PRO 98 CO 0.27 -0.43 -0.08 0.42 0.04 0.00 0.00 177.00 177.22 3iaq s ILE 99 N -1.33 3.33 -0.36 0.56 1.01 -1.12 -4.65 121.20 118.63 3iaq s ILE 99 Ca 0.57 -0.54 -0.10 0.00 0.00 0.00 0.00 60.65 60.58 3iaq s ILE 99 Cb -0.35 -2.46 0.02 0.00 0.01 0.00 0.00 42.46 39.69 3iaq s ILE 99 CO 0.44 0.48 0.18 -0.47 0.00 0.00 0.00 174.94 175.57 3iaq s TYR 100 N 0.78 3.23 0.06 3.97 5.04 -1.26 0.74 117.35 129.91 3iaq s TYR 100 Ca -0.03 -0.96 0.04 0.00 -2.44 0.00 0.00 57.07 53.68 3iaq s TYR 100 Cb -0.15 -2.40 -0.03 0.00 0.35 0.00 0.00 41.96 39.73 3iaq s TYR 100 CO 0.01 -0.63 -0.11 -0.08 -1.34 0.00 0.00 175.55 173.40 3iaq s THR 101 N 1.54 0.86 0.00 4.34 -1.32 -1.26 -2.21 115.64 117.60 3iaq s THR 101 Ca 0.02 -1.19 0.00 0.00 -1.21 0.00 0.00 61.69 59.31 3iaq s THR 101 Cb -0.19 -0.87 0.00 0.00 -1.51 0.00 0.00 72.50 69.93 3iaq s THR 101 CO 0.06 -0.28 0.00 -3.20 -2.21 0.00 0.00 174.62 168.99 3iaq n ASN 102 N 1.39 0.00 -0.11 8.08 2.85 -1.26 -3.73 115.26 122.48 3iaq n ASN 102 Ca -0.22 0.00 -0.23 0.00 -0.11 0.00 0.00 54.58 54.02 3iaq n ASN 102 Cb 0.54 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.46 3iaq n ASN 102 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 3iaq n VAL 103 N -0.94 1.53 -1.90 3.44 0.31 -1.26 -3.93 118.33 115.58 3iaq n VAL 103 Ca 0.00 -0.12 -0.42 0.00 -0.01 0.00 0.00 64.34 63.79 3iaq n VAL 103 Cb 0.00 -2.01 -0.03 0.00 -0.91 0.00 0.00 33.84 30.89 3iaq n VAL 103 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3iaq s THR 104 N -2.41 3.26 0.34 2.52 2.01 -1.26 -3.16 115.64 116.94 3iaq s THR 104 Ca -0.31 0.47 -0.26 0.00 0.31 0.00 0.00 61.69 61.89 3iaq s THR 104 Cb 0.08 -3.30 -0.13 0.00 0.01 0.00 0.00 72.50 69.16 3iaq s THR 104 CO 0.54 -0.03 0.92 -1.22 -0.69 0.00 0.00 174.62 174.15 3iaq n TYR 105 N 6.72 0.92 1.59 4.92 4.01 -1.26 -4.85 117.16 129.21 3iaq n TYR 105 Ca 0.17 0.66 0.11 0.00 -0.16 0.00 0.00 57.90 58.68 3iaq n TYR 105 Cb 0.42 -2.20 0.64 0.00 -0.31 0.00 0.00 39.34 37.89 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 0.56 0.79 -4.26 -0.72 -0.04 -1.26 -4.78 135.00 125.29 3iaq n PRO 106 Ca 0.10 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.42 3iaq n PRO 106 Cb 0.35 -1.42 -0.10 0.00 -0.04 0.00 0.00 33.50 32.28 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 -2.00 0.94 0.04 0.52 -4.36 -1.26 -5.07 121.20 110.01 3iaq s ILE 107 Ca 0.32 -2.02 -0.30 0.00 -0.26 0.00 0.00 60.65 58.39 3iaq s ILE 107 Cb 0.15 -2.05 -0.08 0.00 1.25 0.00 0.00 42.46 41.73 3iaq s ILE 107 CO 0.25 -0.56 1.76 -0.89 0.24 0.00 0.00 174.94 175.74 3iaq s THR 108 N -3.48 3.10 -0.82 8.37 2.01 -1.26 -4.89 115.64 118.67 3iaq s THR 108 Ca 0.22 0.35 -0.25 0.00 0.31 0.00 0.00 61.69 62.32 3iaq s THR 108 Cb 0.05 -3.23 -0.06 0.00 0.01 0.00 0.00 72.50 69.27 3iaq s THR 108 CO 0.03 -0.02 2.05 -0.69 -0.69 0.00 0.00 174.62 175.31 3iaq s VAL 109 N 3.50 3.32 -0.43 3.82 1.01 -1.26 -4.73 120.40 125.64 3iaq s VAL 109 Ca 0.79 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.65 3iaq s VAL 109 Cb -0.40 -3.75 0.29 0.00 0.00 0.00 0.00 36.38 32.52 3iaq s VAL 109 CO 0.35 -0.71 0.79 -3.20 0.00 0.00 0.00 175.10 172.33 3iaq n ASN 110 N 14.88 -0.98 -4.77 3.32 5.15 -1.26 -5.13 115.26 126.48 3iaq n ASN 110 Ca 0.39 -3.14 -0.41 0.00 -0.60 0.00 0.00 54.58 50.82 3iaq n ASN 110 Cb 0.47 0.54 -0.01 0.00 -0.53 0.00 0.00 39.78 40.25 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 -0.70 4.20 -0.28 1.20 0.04 -1.26 -0.17 135.00 138.03 3iaq s PRO 111 Ca 0.33 2.43 0.11 0.00 0.04 0.00 0.00 61.00 63.91 3iaq s PRO 111 Cb 0.25 -3.03 0.76 0.00 0.04 0.00 0.00 34.50 32.53 3iaq s PRO 111 CO -0.13 -0.44 1.75 -0.35 0.04 0.00 0.00 177.00 177.87 3iaq n PRO 112 N 1.18 4.20 -2.95 0.56 -0.04 -1.26 -5.11 135.00 131.57 3iaq n PRO 112 Ca 0.03 -3.01 -0.40 0.00 -0.04 0.00 0.00 63.50 60.07 3iaq n PRO 112 Cb 0.40 -2.22 -0.05 0.00 -0.04 0.00 0.00 33.50 31.59 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 -2.81 3.72 0.31 0.54 0.08 0.76 -4.31 117.98 116.26 3iaq s PHE 113 Ca 0.53 1.48 0.08 0.00 0.12 0.00 0.00 56.93 59.15 3iaq s PHE 113 Cb 0.42 -2.86 -0.04 0.00 -0.57 0.00 0.00 43.02 39.97 3iaq s PHE 113 CO 0.14 0.22 0.15 0.14 -0.10 0.00 0.00 175.22 175.77 3iaq s VAL 114 N 0.14 3.40 0.68 -0.44 -7.23 -1.26 -4.50 120.40 111.18 3iaq s VAL 114 Ca 0.40 -1.64 -0.17 0.00 -1.81 0.00 0.00 61.98 58.76 3iaq s VAL 114 Cb -0.20 -3.05 -0.01 0.00 0.56 0.00 0.00 36.38 33.68 3iaq s VAL 114 CO 0.23 -0.24 1.05 -2.65 -0.31 0.00 0.00 175.10 173.18 3iaq n PRO 115 N -1.14 0.72 -0.12 4.82 -0.02 -1.26 -4.92 135.00 133.09 3iaq n PRO 115 Ca -0.04 0.30 -0.08 0.00 -2.02 0.00 0.00 63.50 61.65 3iaq n PRO 115 Cb 0.60 -2.29 0.07 0.00 -0.02 0.00 0.00 33.50 31.86 3iaq n PRO 115 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3iaq h THR 116 N 0.07 1.27 -1.35 3.45 1.35 -1.98 -3.34 112.91 112.37 3iaq h THR 116 Ca -0.48 -1.31 -0.57 0.00 -0.55 0.00 0.00 66.41 63.50 3iaq h THR 116 Cb 1.34 1.13 -0.09 0.00 -1.73 0.00 0.00 68.15 68.80 3iaq h THR 116 CO 0.49 0.45 1.36 -1.61 -0.25 0.00 0.00 175.52 175.96 3iaq s GLU 117 N -4.68 3.43 -0.32 4.72 2.02 -1.26 -4.76 118.70 117.85 3iaq s GLU 117 Ca -0.10 -0.87 0.03 0.00 0.02 0.00 0.00 54.97 54.06 3iaq s GLU 117 Cb 0.13 -5.09 0.09 0.00 0.10 0.00 0.00 34.13 29.36 3iaq s GLU 117 CO 0.84 -2.27 0.03 1.21 0.02 0.00 0.00 175.26 175.09 3iaq s ASN 118 N 4.96 4.63 0.11 -0.19 2.47 -0.28 -4.97 114.94 121.68 3iaq s ASN 118 Ca 0.46 -1.99 -0.35 0.00 0.42 0.00 0.00 52.86 51.39 3iaq s ASN 118 Cb -0.02 -1.53 -0.16 0.00 -1.45 0.00 0.00 41.25 38.08 3iaq s ASN 118 CO -0.04 -0.36 1.27 -2.65 -3.72 0.00 0.00 177.10 171.61 3iaq n PRO 119 N 4.34 1.12 -4.20 0.43 -0.02 -1.17 -3.44 135.00 132.06 3iaq n PRO 119 Ca 0.01 0.40 -0.27 0.00 -2.02 0.00 0.00 63.50 61.62 3iaq n PRO 119 Cb 0.42 -1.99 -0.17 0.00 -0.02 0.00 0.00 33.50 31.74 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 0.25 1.28 -0.26 3.45 2.01 0.10 -1.15 115.64 121.31 3iaq s THR 120 Ca 0.81 -0.48 -0.10 0.00 0.31 0.00 0.00 61.69 62.23 3iaq s THR 120 Cb -0.93 -1.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 3iaq s THR 120 CO 0.49 0.40 0.15 -0.83 -0.69 0.00 0.00 174.62 174.14 3iaq s GLY 121 N 1.28 1.89 -0.55 4.40 0.00 0.50 -0.22 107.32 114.62 3iaq s GLY 121 Ca -0.02 -1.06 -0.14 0.00 0.00 0.00 0.00 44.72 43.50 3iaq s GLY 121 CO -0.05 0.56 0.49 0.00 0.00 0.00 0.00 173.10 174.10 3iaq s TYR 123 N 1.43 3.38 0.04 0.00 1.51 0.29 -2.18 117.35 121.83 3iaq s TYR 123 Ca 0.05 0.28 0.01 0.00 -1.01 0.00 0.00 57.07 56.40 3iaq s TYR 123 Cb -0.28 -2.07 -0.02 0.00 -0.11 0.00 0.00 41.96 39.48 3iaq s TYR 123 CO 0.01 0.34 -0.06 -1.54 -1.11 0.00 0.00 175.55 173.19 3iaq s SER 124 N 0.02 0.68 -0.08 2.29 1.04 -0.60 0.13 113.70 117.19 3iaq s SER 124 Ca 0.08 -0.57 -0.03 0.00 0.48 0.00 0.00 55.95 55.90 3iaq s SER 124 Cb -0.12 0.06 0.04 0.00 0.10 0.00 0.00 66.02 66.11 3iaq s SER 124 CO 0.00 -0.26 0.17 -0.22 0.98 0.00 0.00 173.24 173.92 3iaq s LEU 125 N -1.66 0.51 -0.26 2.42 2.96 -1.14 -1.47 118.68 120.04 3iaq s LEU 125 Ca -0.10 0.37 -0.12 0.00 -0.22 0.00 0.00 54.13 54.06 3iaq s LEU 125 Cb -0.09 0.45 -0.05 0.00 0.50 0.00 0.00 46.19 47.01 3iaq s LEU 125 CO -0.01 -0.17 0.21 -0.89 -1.32 0.00 0.00 176.35 174.18 3iaq s THR 126 N 1.38 5.31 0.03 3.68 2.01 -1.26 -1.08 115.64 125.70 3iaq s THR 126 Ca -0.07 0.26 -0.08 0.00 0.31 0.00 0.00 61.69 62.11 3iaq s THR 126 Cb -0.11 -3.55 -0.00 0.00 0.01 0.00 0.00 72.50 68.84 3iaq s THR 126 CO -0.07 0.28 0.15 0.72 -0.69 0.00 0.00 174.62 175.01 3iaq s PHE 127 N 1.47 0.09 0.22 4.92 -0.71 0.85 -4.93 117.98 119.88 3iaq s PHE 127 Ca 0.09 -0.29 -0.16 0.00 -1.04 0.00 0.00 56.93 55.53 3iaq s PHE 127 Cb -0.15 -0.07 -0.08 0.00 -1.21 0.00 0.00 43.02 41.52 3iaq s PHE 127 CO 0.08 -0.37 0.65 1.21 -1.34 0.00 0.00 175.22 175.45 3iaq s ASN 128 N -1.88 6.87 -0.04 1.98 2.47 -1.26 -0.43 114.94 122.65 3iaq s ASN 128 Ca -0.08 1.22 0.01 0.00 0.42 0.00 0.00 52.86 54.43 3iaq s ASN 128 Cb -0.03 -2.34 0.02 0.00 -1.45 0.00 0.00 41.25 37.45 3iaq s ASN 128 CO -0.02 -0.01 -0.04 -0.69 -3.72 0.00 0.00 177.10 172.62 3iaq s VAL 129 N -1.65 0.49 0.37 -5.21 1.01 -0.55 -4.96 120.40 109.90 3iaq s VAL 129 Ca 0.44 -0.09 -0.25 0.00 0.00 0.00 0.00 61.98 62.09 3iaq s VAL 129 Cb -0.14 -0.53 -0.09 0.00 0.00 0.00 0.00 36.38 35.62 3iaq s VAL 129 CO 0.20 0.22 1.04 -0.62 0.00 0.00 0.00 175.10 175.93 3iaq s ASP 130 N 0.99 6.91 0.54 3.32 2.15 -1.26 -0.85 116.67 128.47 3iaq s ASP 130 Ca -0.10 2.03 0.23 0.00 0.43 0.00 0.00 52.55 55.14 3iaq s ASP 130 Cb -0.14 -2.59 1.41 0.00 -0.30 0.00 0.00 42.92 41.30 3iaq s ASP 130 CO -0.00 -0.38 2.06 -0.08 -0.17 0.00 0.00 175.17 176.60 3iaq h GLU 131 N 2.75 0.00 0.00 4.34 4.57 -1.94 -0.55 114.58 123.74 3iaq h GLU 131 Ca -0.48 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.69 3iaq h GLU 131 Cb 1.21 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.80 3iaq h GLU 131 CO 0.63 0.00 -0.05 0.66 -1.18 0.00 0.00 179.01 179.07 3iaq h SER 132 N 0.00 0.00 1.76 1.04 4.64 -1.98 0.91 113.55 119.93 3iaq h SER 132 Ca 0.15 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.44 3iaq h SER 132 Cb 0.62 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3iaq h SER 132 CO -0.00 0.05 -0.12 -0.50 -0.87 0.00 0.00 176.83 175.38 3iaq h TRP 133 N 0.00 0.00 0.00 4.77 4.06 -1.40 -3.38 115.95 120.00 3iaq h TRP 133 Ca -0.00 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.85 3iaq h TRP 133 Cb 0.13 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.27 3iaq h TRP 133 CO 0.00 0.12 -1.74 1.28 -3.56 0.00 0.00 178.44 174.54 3iaq n LEU 134 N -3.14 0.00 0.14 -4.49 4.77 -0.16 -4.43 117.00 109.69 3iaq n LEU 134 Ca 0.03 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.04 3iaq n LEU 134 Cb 0.55 0.14 0.42 0.00 -2.33 0.00 0.00 43.42 42.20 3iaq n LEU 134 CO 0.35 0.14 0.89 1.56 -1.33 0.00 0.00 177.39 179.00 3iaq h GLN 135 N 0.00 0.18 -4.08 3.23 4.20 -1.08 -3.44 115.11 114.12 3iaq h GLN 135 Ca -0.15 -0.04 -0.21 0.00 0.06 0.00 0.00 58.65 58.30 3iaq h GLN 135 Cb 1.14 -0.03 -0.23 0.00 0.30 0.00 0.00 27.48 28.67 3iaq h GLN 135 CO 0.01 0.33 -0.71 -1.21 -0.67 0.00 0.00 178.83 176.58 3iaq s GLU 136 N -4.71 0.31 2.33 1.46 0.41 -1.26 -5.13 118.70 112.11 3iaq s GLU 136 Ca -0.05 -0.50 0.00 0.00 -0.41 0.00 0.00 54.97 54.01 3iaq s GLU 136 Cb 0.15 -0.03 0.00 0.00 -1.78 0.00 0.00 34.13 32.48 3iaq s GLU 136 CO 0.72 -0.01 0.00 0.41 -0.49 0.00 0.00 175.26 175.89 3iaq n GLY 137 N 1.93 -0.83 3.25 -1.39 0.00 -1.26 -4.79 105.19 102.10 3iaq n GLY 137 Ca -0.21 -1.18 -0.32 0.00 0.00 0.00 0.00 46.02 44.32 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 0.00 2.91 -0.20 1.61 0.74 0.13 -4.81 119.66 120.04 3iaq s GLN 138 Ca 0.00 -0.87 -0.02 0.00 0.05 0.00 0.00 55.36 54.53 3iaq s GLN 138 Cb 0.00 -2.29 0.00 0.00 1.10 0.00 0.00 33.01 31.83 3iaq s GLN 138 CO 0.00 0.25 -0.11 0.99 -0.55 0.00 0.00 175.29 175.87 3iaq s THR 139 N 0.16 2.78 0.18 -0.34 2.01 -1.26 -0.87 115.64 118.30 3iaq s THR 139 Ca -0.13 -0.70 0.10 0.00 0.31 0.00 0.00 61.69 61.27 3iaq s THR 139 Cb -0.16 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 3iaq s THR 139 CO 0.07 0.48 -0.21 0.00 -0.69 0.00 0.00 174.62 174.27 3iaq s ARG 140 N 1.36 1.37 0.00 4.92 1.70 -0.61 -0.22 118.95 127.48 3iaq s ARG 140 Ca 0.05 -1.45 0.00 0.00 -0.47 0.00 0.00 55.73 53.86 3iaq s ARG 140 Cb -0.14 -1.55 -0.04 0.00 -0.57 0.00 0.00 34.95 32.65 3iaq s ARG 140 CO -0.07 0.33 0.08 -1.50 -1.08 0.00 0.00 175.30 173.05 3iaq s ILE 141 N -1.86 4.67 -0.16 4.99 2.07 -0.07 -1.32 121.20 129.51 3iaq s ILE 141 Ca 0.18 -0.46 0.00 0.00 -1.41 0.00 0.00 60.65 58.96 3iaq s ILE 141 Cb -0.07 -3.14 0.04 0.00 0.13 0.00 0.00 42.46 39.42 3iaq s ILE 141 CO 0.08 0.33 -0.09 -0.63 -1.91 0.00 0.00 174.94 172.72 3iaq s ILE 142 N -1.20 1.33 -0.51 2.00 1.01 0.18 -1.81 121.20 122.20 3iaq s ILE 142 Ca 0.23 -0.67 -0.12 0.00 0.00 0.00 0.00 60.65 60.09 3iaq s ILE 142 Cb -0.12 -1.40 0.13 0.00 0.01 0.00 0.00 42.46 41.08 3iaq s ILE 142 CO 0.14 0.25 0.41 -0.36 0.00 0.00 0.00 174.94 175.38 3iaq s PHE 143 N 1.55 3.37 0.45 3.97 0.40 -0.27 -1.48 117.98 125.98 3iaq s PHE 143 Ca 0.02 -1.67 0.34 0.00 -0.60 0.00 0.00 56.93 55.02 3iaq s PHE 143 Cb -0.15 -3.62 1.78 0.00 0.51 0.00 0.00 43.02 41.55 3iaq s PHE 143 CO -0.09 -1.00 2.17 -0.44 0.70 0.00 0.00 175.22 176.56 3iaq h ASP 144 N 8.59 0.00 -1.04 1.36 3.32 -1.33 -1.09 116.42 126.22 3iaq h ASP 144 Ca -0.24 0.00 0.16 0.00 0.02 0.00 0.00 57.03 56.97 3iaq h ASP 144 Cb 1.08 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.41 3iaq h ASP 144 CO 0.92 0.05 0.06 -0.83 -1.72 0.00 0.00 179.24 177.72 3iaq s GLY 145 N -4.17 -0.45 -0.09 2.75 0.00 -1.26 -3.41 107.32 100.69 3iaq s GLY 145 Ca -0.03 2.67 -0.01 0.00 0.00 0.00 0.00 44.72 47.35 3iaq s GLY 145 CO 0.52 3.35 -0.03 0.14 0.00 0.00 0.00 173.10 177.07 3iaq s VAL 146 N 2.70 0.63 -0.31 1.40 1.01 -1.22 -2.08 120.40 122.53 3iaq s VAL 146 Ca 0.01 -0.05 -0.07 0.00 0.00 0.00 0.00 61.98 61.88 3iaq s VAL 146 Cb -0.09 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.58 3iaq s VAL 146 CO -0.17 0.30 0.09 0.21 0.00 0.00 0.00 175.10 175.53 3iaq s ASN 147 N 1.81 5.20 0.00 3.32 3.84 -0.18 -4.11 114.94 124.82 3iaq s ASN 147 Ca 0.04 -0.85 0.01 0.00 0.21 0.00 0.00 52.86 52.27 3iaq s ASN 147 Cb -0.12 -1.88 -0.00 0.00 -0.55 0.00 0.00 41.25 38.69 3iaq s ASN 147 CO -0.06 -0.24 0.13 -1.54 -2.79 0.00 0.00 177.10 172.60 3iaq n SER 148 N 4.86 0.24 -3.54 -4.21 3.41 -0.58 -1.53 113.62 112.26 3iaq n SER 148 Ca -0.14 -0.62 -0.17 0.00 -0.26 0.00 0.00 58.87 57.68 3iaq n SER 148 Cb 0.47 0.79 -0.06 0.00 -0.26 0.00 0.00 64.21 65.15 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 -0.85 -1.63 -0.05 7.33 0.00 -1.18 -3.89 121.76 121.49 3iaq s ALA 149 Ca 0.00 1.14 -0.22 0.00 0.00 0.00 0.00 51.96 52.88 3iaq s ALA 149 Cb 0.00 0.07 0.05 0.00 0.00 0.00 0.00 23.12 23.24 3iaq s ALA 149 CO 0.02 -0.38 0.49 -0.59 0.00 0.00 0.00 175.76 175.30 3iaq s PHE 150 N -1.39 -0.43 0.07 0.00 -0.71 -0.95 0.09 117.98 114.66 3iaq s PHE 150 Ca -0.10 0.76 0.02 0.00 -1.04 0.00 0.00 56.93 56.57 3iaq s PHE 150 Cb -0.01 0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 42.00 3iaq s PHE 150 CO 0.08 -0.47 0.10 -1.01 -1.34 0.00 0.00 175.22 172.58 3iaq s HIS 151 N -1.08 3.25 -0.12 3.49 3.76 -0.87 -1.76 115.29 121.95 3iaq s HIS 151 Ca -0.11 0.11 0.01 0.00 -0.15 0.00 0.00 55.06 54.93 3iaq s HIS 151 Cb -0.03 -1.65 0.02 0.00 1.11 0.00 0.00 32.58 32.03 3iaq s HIS 151 CO 0.06 0.53 -0.16 -1.17 -0.85 0.00 0.00 174.74 173.15 3iaq s LEU 152 N -2.38 1.78 0.04 0.89 2.96 0.55 -1.99 118.68 120.53 3iaq s LEU 152 Ca 0.30 -0.48 0.06 0.00 -0.22 0.00 0.00 54.13 53.79 3iaq s LEU 152 Cb -0.12 -1.18 -0.03 0.00 0.50 0.00 0.00 46.19 45.36 3iaq s LEU 152 CO 0.23 0.01 -0.13 0.26 -1.32 0.00 0.00 176.35 175.39 3iaq s TRP 153 N 1.08 2.69 -0.11 5.38 0.51 -0.03 0.09 118.94 128.55 3iaq s TRP 153 Ca -0.04 -0.17 -0.01 0.00 -2.12 0.00 0.00 56.10 53.76 3iaq s TRP 153 Cb -0.14 -1.50 0.03 0.00 -0.81 0.00 0.00 33.47 31.04 3iaq s TRP 153 CO -0.04 0.31 -0.02 0.00 -0.51 0.00 0.00 176.95 176.69 3iaq n ASN 155 N 5.06 -1.15 0.00 0.00 3.02 -0.12 -2.00 115.26 120.07 3iaq n ASN 155 Ca -0.09 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 3iaq n ASN 155 Cb 0.49 -3.32 0.00 0.00 -0.61 0.00 0.00 39.78 36.35 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 -1.85 2.55 3.68 7.41 0.00 -1.24 -4.97 105.19 110.77 3iaq n GLY 156 Ca -0.28 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 4.15 0.13 1.61 0.52 -0.85 -4.88 118.95 119.64 3iaq s ARG 157 Ca 0.00 -0.02 -0.31 0.00 -0.52 0.00 0.00 55.73 54.88 3iaq s ARG 157 Cb 0.00 -3.51 -0.08 0.00 0.52 0.00 0.00 34.95 31.88 3iaq s ARG 157 CO 0.00 0.07 1.43 -0.46 0.02 0.00 0.00 175.30 176.36 3iaq s TRP 158 N 1.00 3.20 -0.19 -0.53 -0.00 -1.26 -1.16 118.94 120.00 3iaq s TRP 158 Ca 0.14 0.88 -0.12 0.00 -0.00 0.00 0.00 56.10 56.99 3iaq s TRP 158 Cb -0.14 -3.74 -0.08 0.00 -0.00 0.00 0.00 33.47 29.52 3iaq s TRP 158 CO 0.05 -2.62 -0.28 0.28 -0.00 0.00 0.00 176.95 174.38 3iaq n VAL 159 N 3.96 1.29 -3.82 5.86 0.31 0.11 -4.93 118.33 121.11 3iaq n VAL 159 Ca 0.12 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3iaq n VAL 159 Cb 0.41 -1.93 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 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 1.71 0.65 3.07 2.92 0.00 -1.15 -4.73 105.19 107.66 3iaq n GLY 160 Ca -0.32 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.24 0.11 -0.07 1.61 6.14 -0.84 -0.33 117.35 120.73 3iaq s TYR 161 Ca 0.05 -0.27 -0.18 0.00 0.64 0.00 0.00 57.07 57.31 3iaq s TYR 161 Cb -0.00 -0.09 0.04 0.00 0.42 0.00 0.00 41.96 42.32 3iaq s TYR 161 CO 0.00 -0.27 0.43 0.20 0.64 0.00 0.00 175.55 176.55 3iaq s GLY 162 N -1.47 -0.29 0.37 8.97 0.00 -0.72 -0.49 107.32 113.68 3iaq s GLY 162 Ca -0.14 0.84 0.02 0.00 0.00 0.00 0.00 44.72 45.43 3iaq s GLY 162 CO 0.00 0.61 0.08 -1.06 0.00 0.00 0.00 173.10 172.73 3iaq n GLN 163 N 1.75 0.76 -1.70 2.90 6.02 0.27 -2.24 117.38 125.15 3iaq n GLN 163 Ca -0.18 -2.93 -0.01 0.00 -0.01 0.00 0.00 57.00 53.87 3iaq n GLN 163 Cb 0.56 1.30 -0.01 0.00 1.02 0.00 0.00 30.24 33.11 3iaq n GLN 163 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3iaq n ASP 164 N -1.49 -3.84 0.02 1.08 -0.08 -1.25 -4.91 116.55 106.08 3iaq n ASP 164 Ca -0.09 0.71 0.11 0.00 -1.51 0.00 0.00 54.79 54.01 3iaq n ASP 164 Cb 0.52 -2.77 0.48 0.00 2.34 0.00 0.00 41.12 41.68 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 0.75 0.11 -0.02 1.67 7.64 -1.26 -3.81 113.62 118.70 3iaq n SER 165 Ca -0.06 0.52 0.02 0.00 1.01 0.00 0.00 58.87 60.35 3iaq n SER 165 Cb 0.10 -0.54 0.03 0.00 -1.01 0.00 0.00 64.21 62.78 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 -1.61 2.40 -4.26 1.43 5.12 -1.26 -3.41 116.66 115.07 3iaq n ARG 166 Ca 0.05 -1.62 -0.20 0.00 -1.93 0.00 0.00 57.85 54.15 3iaq n ARG 166 Cb 0.28 -1.05 -0.13 0.00 -1.16 0.00 0.00 32.46 30.40 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 -1.27 2.23 0.16 0.55 1.43 -1.25 -4.44 118.68 116.10 3iaq s LEU 167 Ca 0.06 -0.55 -0.31 0.00 -1.03 0.00 0.00 54.13 52.29 3iaq s LEU 167 Cb 0.05 -0.59 -0.11 0.00 0.03 0.00 0.00 46.19 45.58 3iaq s LEU 167 CO 0.01 -0.02 1.71 -2.16 0.23 0.00 0.00 176.35 176.12 3iaq s PRO 168 N -1.49 4.15 -0.23 1.29 0.04 -1.22 -4.53 135.00 133.01 3iaq s PRO 168 Ca 0.00 2.52 -0.10 0.00 0.04 0.00 0.00 61.00 63.46 3iaq s PRO 168 Cb -0.09 -3.30 -0.05 0.00 0.04 0.00 0.00 34.50 31.10 3iaq s PRO 168 CO 0.02 -0.75 0.15 -1.12 0.04 0.00 0.00 177.00 175.34 3iaq s SER 169 N 1.76 6.07 -0.05 6.66 0.01 -0.41 -4.94 113.70 122.80 3iaq s SER 169 Ca 0.76 0.11 0.04 0.00 1.31 0.00 0.00 55.95 58.17 3iaq s SER 169 Cb -0.46 -2.09 -0.00 0.00 0.21 0.00 0.00 66.02 63.67 3iaq s SER 169 CO 0.33 0.08 -0.19 -1.61 0.41 0.00 0.00 173.24 172.26 3iaq s GLU 170 N 0.95 2.06 -0.02 12.44 2.02 -1.26 -1.11 118.70 133.79 3iaq s GLU 170 Ca 0.07 -0.68 0.03 0.00 0.02 0.00 0.00 54.97 54.41 3iaq s GLU 170 Cb -0.13 -1.74 -0.00 0.00 0.10 0.00 0.00 34.13 32.36 3iaq s GLU 170 CO 0.03 0.24 -0.10 -0.06 0.02 0.00 0.00 175.26 175.40 3iaq s PHE 171 N 0.09 0.93 -0.34 1.61 0.40 -0.75 0.35 117.98 120.27 3iaq s PHE 171 Ca -0.07 -0.20 -0.29 0.00 -0.60 0.00 0.00 56.93 55.77 3iaq s PHE 171 Cb -0.13 -0.63 0.00 0.00 0.51 0.00 0.00 43.02 42.78 3iaq s PHE 171 CO 0.03 -0.05 1.36 0.34 0.70 0.00 0.00 175.22 177.60 3iaq s ASP 172 N -0.05 6.52 0.00 1.36 -1.08 -1.26 -0.89 116.67 121.27 3iaq s ASP 172 Ca 0.01 1.07 0.23 0.00 -0.52 0.00 0.00 52.55 53.34 3iaq s ASP 172 Cb -0.06 -2.54 0.54 0.00 -1.46 0.00 0.00 42.92 39.40 3iaq s ASP 172 CO -0.00 -1.23 1.47 0.18 0.52 0.00 0.00 175.17 176.11 3iaq n LEU 173 N 8.15 3.60 -0.27 -1.34 4.77 0.70 -4.65 117.00 127.96 3iaq n LEU 173 Ca 0.16 -1.68 0.15 0.00 -0.03 0.00 0.00 56.01 54.61 3iaq n LEU 173 Cb 0.47 -0.36 0.43 0.00 -2.33 0.00 0.00 43.42 41.63 3iaq n LEU 173 CO 0.66 0.84 1.22 0.28 -1.33 0.00 0.00 177.39 179.06 3iaq h SER 174 N 4.28 0.56 -0.15 -1.43 0.02 -1.75 -0.21 113.55 114.87 3iaq h SER 174 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3iaq h SER 174 Cb 0.96 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.44 3iaq h SER 174 CO 0.00 0.25 0.00 0.00 -1.14 0.00 0.00 176.83 175.94 3iaq n ALA 175 N -2.45 2.47 -0.03 3.77 0.00 -1.26 -4.27 120.51 118.73 3iaq n ALA 175 Ca 0.19 -0.73 0.01 0.00 0.00 0.00 0.00 53.44 52.92 3iaq n ALA 175 Cb 0.59 -0.91 -0.12 0.00 0.00 0.00 0.00 19.45 19.01 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 1.11 0.00 -2.99 0.00 3.01 -0.13 -5.04 117.46 113.42 3iaq n PHE 176 Ca 0.17 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.37 3iaq n PHE 176 Cb 0.54 -0.51 -0.00 0.00 -0.01 0.00 0.00 39.48 39.50 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 -4.50 3.77 0.03 4.37 1.43 -0.94 -4.74 118.68 118.11 3iaq s LEU 177 Ca -0.06 0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 53.64 3iaq s LEU 177 Cb 0.07 -3.51 -0.03 0.00 0.03 0.00 0.00 46.19 42.76 3iaq s LEU 177 CO 0.62 -0.51 -0.02 0.00 0.23 0.00 0.00 176.35 176.67 3iaq s ARG 178 N -4.55 0.46 0.37 1.70 1.70 -1.26 -5.04 118.95 112.33 3iaq s ARG 178 Ca 0.45 -0.89 -0.28 0.00 -0.47 0.00 0.00 55.73 54.53 3iaq s ARG 178 Cb -0.10 0.16 -0.11 0.00 -0.57 0.00 0.00 34.95 34.33 3iaq s ARG 178 CO 0.40 -0.08 1.51 0.00 -1.08 0.00 0.00 175.30 176.05 3iaq n ALA 179 N 0.87 2.46 0.00 7.88 0.00 -1.26 -4.58 120.51 125.88 3iaq n ALA 179 Ca -0.19 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3iaq n ALA 179 Cb 0.58 -2.43 0.00 0.00 0.00 0.00 0.00 19.45 17.59 3iaq n ALA 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iaq n GLY 180 N 0.66 0.67 3.73 0.00 0.00 -0.03 -4.92 105.19 105.31 3iaq n GLY 180 Ca 0.02 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 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 4.42 0.03 1.61 0.41 -1.26 -1.49 118.70 122.42 3iaq s GLU 181 Ca 0.00 1.97 0.00 0.00 -0.41 0.00 0.00 54.97 56.54 3iaq s GLU 181 Cb 0.00 -3.23 -0.02 0.00 -1.78 0.00 0.00 34.13 29.10 3iaq s GLU 181 CO 0.00 -0.22 -0.04 -0.80 -0.49 0.00 0.00 175.26 173.72 3iaq s ASN 182 N 0.40 0.37 -0.09 -0.19 0.01 0.42 -4.82 114.94 111.04 3iaq s ASN 182 Ca 0.56 -0.54 0.01 0.00 -0.71 0.00 0.00 52.86 52.18 3iaq s ASN 182 Cb -0.35 0.09 0.02 0.00 0.41 0.00 0.00 41.25 41.43 3iaq s ASN 182 CO 0.36 -0.30 -0.11 -0.60 -1.51 0.00 0.00 177.10 174.95 3iaq s ARG 183 N -1.63 1.69 0.37 -0.60 3.52 -1.26 -0.11 118.95 120.94 3iaq s ARG 183 Ca -0.13 -0.36 -0.02 0.00 -0.13 0.00 0.00 55.73 55.08 3iaq s ARG 183 Cb -0.09 -1.55 -0.04 0.00 -1.56 0.00 0.00 34.95 31.71 3iaq s ARG 183 CO -0.01 -0.12 0.62 -0.51 -0.81 0.00 0.00 175.30 174.47 3iaq s LEU 184 N 1.17 3.91 -0.16 -0.88 1.43 -0.24 -0.94 118.68 122.97 3iaq s LEU 184 Ca -0.05 0.65 -0.04 0.00 -1.03 0.00 0.00 54.13 53.66 3iaq s LEU 184 Cb -0.14 -3.53 0.07 0.00 0.03 0.00 0.00 46.19 42.62 3iaq s LEU 184 CO -0.03 -0.36 0.20 0.00 0.23 0.00 0.00 176.35 176.40 3iaq s ALA 185 N -2.39 -0.25 -0.25 4.21 0.00 -0.27 -2.88 121.76 119.93 3iaq s ALA 185 Ca 0.43 0.41 -0.03 0.00 0.00 0.00 0.00 51.96 52.77 3iaq s ALA 185 Cb -0.10 -1.12 0.02 0.00 0.00 0.00 0.00 23.12 21.91 3iaq s ALA 185 CO 0.37 -0.95 -0.03 0.08 0.00 0.00 0.00 175.76 175.24 3iaq s VAL 186 N 2.32 3.19 -0.52 0.00 1.01 0.35 -0.85 120.40 125.90 3iaq s VAL 186 Ca 0.05 -0.85 -0.17 0.00 0.00 0.00 0.00 61.98 61.00 3iaq s VAL 186 Cb -0.14 -2.59 0.09 0.00 0.00 0.00 0.00 36.38 33.73 3iaq s VAL 186 CO -0.10 0.22 0.54 -0.32 0.00 0.00 0.00 175.10 175.44 3iaq s MET 187 N 1.39 3.03 -0.22 2.72 1.75 -0.84 -0.54 119.30 126.59 3iaq s MET 187 Ca 0.02 -1.29 -0.13 0.00 -1.25 0.00 0.00 55.69 53.04 3iaq s MET 187 Cb -0.16 -4.18 -0.04 0.00 2.84 0.00 0.00 34.83 33.28 3iaq s MET 187 CO -0.03 -1.24 0.27 0.08 -0.65 0.00 0.00 175.02 173.45 3iaq s VAL 188 N 2.11 5.29 -0.17 10.11 1.01 0.12 -2.06 120.40 136.82 3iaq s VAL 188 Ca 0.08 0.43 -0.08 0.00 0.00 0.00 0.00 61.98 62.41 3iaq s VAL 188 Cb -0.24 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 3iaq s VAL 188 CO 0.07 0.31 0.12 -0.76 0.00 0.00 0.00 175.10 174.84 3iaq s LEU 189 N 1.13 4.22 0.03 3.92 1.43 0.11 -0.37 118.68 129.15 3iaq s LEU 189 Ca 0.13 0.30 -0.23 0.00 -1.03 0.00 0.00 54.13 53.30 3iaq s LEU 189 Cb -0.14 -2.06 -0.16 0.00 0.03 0.00 0.00 46.19 43.86 3iaq s LEU 189 CO 0.06 0.27 1.44 -0.09 0.23 0.00 0.00 176.35 178.26 3iaq h ARG 190 N 6.03 0.12 -6.28 1.70 2.43 -1.38 -1.53 114.38 115.47 3iaq h ARG 190 Ca -0.46 -0.04 -0.69 0.00 -0.81 0.00 0.00 59.98 57.98 3iaq h ARG 190 Cb 1.18 -0.01 -0.22 0.00 -0.42 0.00 0.00 29.97 30.50 3iaq h ARG 190 CO 0.68 0.42 -0.75 -1.58 -1.51 0.00 0.00 179.97 177.23 3iaq s TRP 191 N -4.88 2.77 0.32 2.20 0.52 -1.26 -4.00 118.94 114.60 3iaq s TRP 191 Ca -0.15 -0.11 -0.15 0.00 0.02 0.00 0.00 56.10 55.72 3iaq s TRP 191 Cb 0.04 -1.65 0.02 0.00 -1.15 0.00 0.00 33.47 30.74 3iaq s TRP 191 CO 0.69 0.23 0.66 -1.54 0.02 0.00 0.00 176.95 177.01 3iaq s SER 192 N -0.75 0.05 0.65 2.95 1.04 -1.26 -4.95 113.70 111.42 3iaq s SER 192 Ca 0.12 -1.00 0.39 0.00 0.48 0.00 0.00 55.95 55.94 3iaq s SER 192 Cb -0.11 0.73 2.16 0.00 0.10 0.00 0.00 66.02 68.90 3iaq s SER 192 CO 0.01 -1.42 2.27 -2.24 0.98 0.00 0.00 173.24 172.84 3iaq h ASP 193 N 2.07 0.00 0.56 7.02 3.04 -0.99 0.20 116.42 128.32 3iaq h ASP 193 Ca -0.26 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.49 3iaq h ASP 193 Cb 1.25 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.53 3iaq h ASP 193 CO 0.34 0.00 -0.16 1.23 -2.04 0.00 0.00 179.24 178.61 3iaq h GLY 194 N 0.00 0.00 1.51 7.15 0.00 -1.91 -2.93 103.07 106.90 3iaq h GLY 194 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.38 3iaq h GLY 194 CO -0.00 0.00 0.23 1.76 0.00 0.00 0.00 176.54 178.53 3iaq h SER 195 N 0.00 0.23 0.20 0.19 0.02 -0.96 -1.51 113.55 111.73 3iaq h SER 195 Ca -0.00 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 3iaq h SER 195 Cb 0.49 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 3iaq h SER 195 CO 0.02 0.16 -0.11 1.88 -1.14 0.00 0.00 176.83 177.64 3iaq h TYR 196 N 0.27 0.00 -0.68 3.45 0.05 -1.66 -1.86 116.97 116.53 3iaq h TYR 196 Ca 0.15 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.93 3iaq h TYR 196 Cb 0.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.98 3iaq h TYR 196 CO -0.00 0.11 0.00 1.28 -1.05 0.00 0.00 178.16 178.50 3iaq n LEU 197 N -4.00 3.93 -3.01 3.88 4.77 -0.58 -4.31 117.00 117.69 3iaq n LEU 197 Ca -0.02 -1.97 -0.20 0.00 -0.03 0.00 0.00 56.01 53.78 3iaq n LEU 197 Cb 0.20 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.78 3iaq n LEU 197 CO 0.32 0.89 -0.07 -0.62 -1.33 0.00 0.00 177.39 176.58 3iaq n GLU 198 N 1.43 1.86 -1.63 3.23 1.02 -0.70 -1.15 120.64 124.69 3iaq n GLU 198 Ca 0.24 -3.90 -0.35 0.00 -0.02 0.00 0.00 57.16 53.12 3iaq n GLU 198 Cb 0.65 -1.86 0.06 0.00 -0.02 0.00 0.00 31.44 30.27 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 0.03 7.28 -4.77 1.62 2.03 -0.04 -4.94 116.55 117.75 3iaq n ASP 199 Ca 0.26 -3.80 -0.40 0.00 0.52 0.00 0.00 54.79 51.37 3iaq n ASP 199 Cb 0.59 -0.93 -0.01 0.00 -0.72 0.00 0.00 41.12 40.05 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 4.18 -0.95 -0.67 1.11 -1.26 -4.50 119.66 113.69 3iaq s GLN 200 Ca 0.59 2.15 -0.24 0.00 0.01 0.00 0.00 55.36 57.87 3iaq s GLN 200 Cb 0.47 -2.91 -0.08 0.00 -1.01 0.00 0.00 33.01 29.48 3iaq s GLN 200 CO -0.14 -0.31 2.01 0.34 0.01 0.00 0.00 175.29 177.20 3iaq s ASP 201 N -0.65 4.88 0.23 5.90 2.15 -1.25 -4.80 116.67 123.12 3iaq s ASP 201 Ca 0.53 -0.80 -0.22 0.00 0.43 0.00 0.00 52.55 52.49 3iaq s ASP 201 Cb -0.38 -2.57 0.06 0.00 -0.30 0.00 0.00 42.92 39.73 3iaq s ASP 201 CO 0.50 -3.05 0.91 0.00 -0.17 0.00 0.00 175.17 173.36 3iaq s MET 202 N 7.21 1.52 0.26 4.34 0.23 -1.24 -5.00 119.30 126.62 3iaq s MET 202 Ca 0.73 -0.91 -0.30 0.00 -1.03 0.00 0.00 55.69 54.18 3iaq s MET 202 Cb -0.06 0.47 -0.11 0.00 -1.53 0.00 0.00 34.83 33.60 3iaq s MET 202 CO 0.04 -0.70 1.58 -1.58 -2.03 0.00 0.00 175.02 172.33 3iaq s TRP 203 N -2.88 2.84 -0.44 3.16 0.52 -1.26 -4.06 118.94 116.81 3iaq s TRP 203 Ca 0.15 0.75 -0.18 0.00 0.02 0.00 0.00 56.10 56.84 3iaq s TRP 203 Cb -0.03 -4.03 0.03 0.00 -1.15 0.00 0.00 33.47 28.29 3iaq s TRP 203 CO 0.06 -3.53 0.52 1.03 0.02 0.00 0.00 176.95 175.05 3iaq s ARG 204 N -0.13 3.14 0.00 4.98 1.81 0.23 -4.95 118.95 124.03 3iaq s ARG 204 Ca 0.65 -0.72 0.00 0.00 -1.72 0.00 0.00 55.73 53.94 3iaq s ARG 204 Cb -0.47 -4.00 0.00 0.00 -0.45 0.00 0.00 34.95 30.04 3iaq s ARG 204 CO 0.44 -0.97 0.00 -1.33 -0.68 0.00 0.00 175.30 172.76 3iaq n MET 205 N 5.85 1.79 -3.79 3.54 2.81 -1.26 -2.80 117.12 123.26 3iaq n MET 205 Ca -0.06 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.79 3iaq n MET 205 Cb 0.47 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.97 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 -0.69 -0.13 0.00 7.83 1.04 -1.26 -4.81 113.70 115.67 3iaq s SER 206 Ca 0.00 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.90 3iaq s SER 206 Cb 0.00 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.66 3iaq s SER 206 CO 0.00 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.81 3iaq n GLY 207 N -0.52 -0.29 3.44 7.32 0.00 -0.58 -2.70 105.19 111.86 3iaq n GLY 207 Ca -0.05 -2.27 -0.44 0.00 0.00 0.00 0.00 46.02 43.25 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 -0.66 4.91 -2.12 -0.61 1.01 -1.23 -1.01 121.20 121.49 3iaq s ILE 208 Ca 0.00 -1.98 0.24 0.00 0.00 0.00 0.00 60.65 58.91 3iaq s ILE 208 Cb 0.00 -4.79 0.07 0.00 0.01 0.00 0.00 42.46 37.76 3iaq s ILE 208 CO 0.00 -1.49 1.20 2.22 0.00 0.00 0.00 174.94 176.87 3iaq n PHE 209 N 6.00 0.00 -4.53 3.97 -1.74 -0.88 -1.64 117.46 118.63 3iaq n PHE 209 Ca 0.27 0.00 -0.24 0.00 -0.56 0.00 0.00 57.45 56.91 3iaq n PHE 209 Cb 0.47 -0.02 -0.05 0.00 1.52 0.00 0.00 39.48 41.40 3iaq n PHE 209 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 3iaq n ARG 210 N 0.04 1.07 -1.98 3.97 1.74 -1.08 -4.31 116.66 116.12 3iaq n ARG 210 Ca 0.11 -2.76 -0.39 0.00 -0.77 0.00 0.00 57.85 54.03 3iaq n ARG 210 Cb 0.46 0.72 0.01 0.00 -1.02 0.00 0.00 32.46 32.63 3iaq n ARG 210 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3iaq s ASP 211 N -3.10 6.03 -0.11 0.55 1.01 -1.26 -4.46 116.67 115.33 3iaq s ASP 211 Ca 0.01 2.69 0.02 0.00 0.71 0.00 0.00 52.55 55.98 3iaq s ASP 211 Cb -0.00 -2.64 -0.01 0.00 1.01 0.00 0.00 42.92 41.28 3iaq s ASP 211 CO 0.01 -1.05 -0.19 -0.69 0.21 0.00 0.00 175.17 173.46 3iaq s VAL 212 N -1.29 2.57 0.14 -1.27 1.01 -1.26 -0.97 120.40 119.32 3iaq s VAL 212 Ca 0.61 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 3iaq s VAL 212 Cb -0.38 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 3iaq s VAL 212 CO 0.49 0.55 0.16 -0.94 0.00 0.00 0.00 175.10 175.35 3iaq s SER 213 N 0.24 0.19 -0.14 3.32 1.04 -0.55 -0.15 113.70 117.65 3iaq s SER 213 Ca -0.12 -1.02 0.02 0.00 0.48 0.00 0.00 55.95 55.31 3iaq s SER 213 Cb -0.16 0.35 0.01 0.00 0.10 0.00 0.00 66.02 66.32 3iaq s SER 213 CO 0.07 -0.79 -0.22 -0.76 0.98 0.00 0.00 173.24 172.52 3iaq s LEU 214 N -3.00 2.10 -0.14 2.42 1.43 -0.36 -0.65 118.68 120.49 3iaq s LEU 214 Ca 0.19 -0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 52.68 3iaq s LEU 214 Cb 0.06 -1.44 -0.02 0.00 0.03 0.00 0.00 46.19 44.82 3iaq s LEU 214 CO -0.00 0.07 -0.12 -0.22 0.23 0.00 0.00 176.35 176.30 3iaq s LEU 215 N 0.89 2.76 -0.25 1.79 2.96 -0.44 -1.78 118.68 124.62 3iaq s LEU 215 Ca -0.05 -0.32 -0.10 0.00 -0.22 0.00 0.00 54.13 53.44 3iaq s LEU 215 Cb -0.15 -1.63 -0.05 0.00 0.50 0.00 0.00 46.19 44.86 3iaq s LEU 215 CO -0.04 0.16 0.15 -2.28 -1.32 0.00 0.00 176.35 173.02 3iaq s HIS 216 N 0.41 3.25 0.06 5.38 5.65 -0.53 -1.57 115.29 127.94 3iaq s HIS 216 Ca -0.09 0.09 0.09 0.00 0.25 0.00 0.00 55.06 55.40 3iaq s HIS 216 Cb -0.16 -2.29 -0.03 0.00 -1.18 0.00 0.00 32.58 28.92 3iaq s HIS 216 CO 0.05 -0.06 -0.25 0.15 -0.65 0.00 0.00 174.74 173.98 3iaq s LYS 217 N 1.32 1.78 0.79 2.88 -0.14 -0.05 -4.73 119.74 121.60 3iaq s LYS 217 Ca 0.07 -1.13 -0.11 0.00 -1.36 0.00 0.00 55.97 53.44 3iaq s LYS 217 Cb -0.15 -2.00 0.07 0.00 -1.68 0.00 0.00 37.83 34.07 3iaq s LYS 217 CO 0.06 0.51 1.10 -2.14 -0.76 0.00 0.00 175.35 174.12 3iaq s PRO 218 N -1.42 2.06 0.25 -1.68 0.02 -1.26 0.21 135.00 133.19 3iaq s PRO 218 Ca 0.13 1.25 -0.05 0.00 0.02 0.00 0.00 61.00 62.35 3iaq s PRO 218 Cb -0.10 -1.87 0.30 0.00 0.02 0.00 0.00 34.50 32.85 3iaq s PRO 218 CO 0.03 -1.80 1.85 1.15 -0.33 0.00 0.00 177.00 177.90 3iaq h THR 219 N -1.20 1.24 -3.60 0.99 2.02 -1.92 -3.33 112.91 107.11 3iaq h THR 219 Ca -0.44 -0.68 -0.64 0.00 0.77 0.00 0.00 66.41 65.42 3iaq h THR 219 Cb 1.24 0.26 -0.14 0.00 -1.74 0.00 0.00 68.15 67.77 3iaq h THR 219 CO 0.50 0.29 0.24 -0.89 0.37 0.00 0.00 175.52 176.02 3iaq s THR 220 N -5.62 4.75 0.02 3.16 2.01 -1.26 -3.55 115.64 115.16 3iaq s THR 220 Ca -0.12 0.30 -0.00 0.00 0.31 0.00 0.00 61.69 62.19 3iaq s THR 220 Cb 0.16 -4.25 -0.02 0.00 0.01 0.00 0.00 72.50 68.40 3iaq s THR 220 CO 0.82 -0.63 -0.03 0.00 -0.69 0.00 0.00 174.62 174.09 3iaq s GLN 221 N 3.03 0.35 -0.27 4.92 -2.07 -0.82 -4.87 119.66 119.93 3iaq s GLN 221 Ca 0.26 -0.69 -0.29 0.00 -1.82 0.00 0.00 55.36 52.82 3iaq s GLN 221 Cb -0.13 0.13 -0.01 0.00 -1.09 0.00 0.00 33.01 31.90 3iaq s GLN 221 CO 0.20 -0.06 1.47 0.42 -1.32 0.00 0.00 175.29 176.00 3iaq s ILE 222 N -1.79 3.90 -0.09 3.63 1.01 -1.26 -1.09 121.20 125.51 3iaq s ILE 222 Ca -0.13 1.01 0.22 0.00 0.00 0.00 0.00 60.65 61.75 3iaq s ILE 222 Cb -0.08 -3.94 -0.32 0.00 0.01 0.00 0.00 42.46 38.13 3iaq s ILE 222 CO -0.02 -0.41 0.52 -1.54 0.00 0.00 0.00 174.94 173.49 3iaq n SER 223 N 8.16 0.08 -3.57 3.58 3.41 0.40 -4.92 113.62 120.76 3iaq n SER 223 Ca 0.17 -0.04 -0.12 0.00 -0.26 0.00 0.00 58.87 58.61 3iaq n SER 223 Cb 0.46 1.89 -0.06 0.00 -0.26 0.00 0.00 64.21 66.25 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 -4.46 -0.46 -0.17 4.04 2.15 -1.16 -4.88 116.67 111.72 3iaq s ASP 224 Ca -0.07 0.56 -0.14 0.00 0.43 0.00 0.00 52.55 53.33 3iaq s ASP 224 Cb 0.14 0.45 0.05 0.00 -0.30 0.00 0.00 42.92 43.26 3iaq s ASP 224 CO 0.90 -0.38 0.45 0.72 -0.17 0.00 0.00 175.17 176.68 3iaq s PHE 225 N -0.95 -0.55 -0.17 -5.34 -0.71 -1.26 -1.21 117.98 107.79 3iaq s PHE 225 Ca -0.03 1.26 0.01 0.00 -1.04 0.00 0.00 56.93 57.13 3iaq s PHE 225 Cb -0.01 0.22 0.03 0.00 -1.21 0.00 0.00 43.02 42.04 3iaq s PHE 225 CO 0.03 -0.28 -0.15 -1.01 -1.34 0.00 0.00 175.22 172.47 3iaq s HIS 226 N 0.64 2.48 -0.14 3.49 3.76 -0.60 -4.84 115.29 120.08 3iaq s HIS 226 Ca -0.03 -1.49 -0.11 0.00 -0.15 0.00 0.00 55.06 53.28 3iaq s HIS 226 Cb -0.05 -1.73 -0.05 0.00 1.11 0.00 0.00 32.58 31.86 3iaq s HIS 226 CO -0.04 -0.74 0.22 0.08 -0.85 0.00 0.00 174.74 173.40 3iaq s VAL 227 N 1.38 5.36 0.01 -0.90 1.01 -1.26 -2.16 120.40 123.85 3iaq s VAL 227 Ca 0.03 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.40 3iaq s VAL 227 Cb -0.14 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 3iaq s VAL 227 CO -0.11 0.49 -0.03 0.00 0.00 0.00 0.00 175.10 175.46 3iaq s ALA 228 N -0.15 0.15 -0.10 5.51 0.00 0.05 -4.80 121.76 122.41 3iaq s ALA 228 Ca 0.14 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.73 3iaq s ALA 228 Cb -0.13 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.08 3iaq s ALA 228 CO 0.03 -0.08 -0.14 0.95 0.00 0.00 0.00 175.76 176.53 3iaq s THR 229 N -0.89 1.34 0.10 0.00 -4.23 -1.26 -0.23 115.64 110.47 3iaq s THR 229 Ca -0.09 -0.56 0.07 0.00 -1.18 0.00 0.00 61.69 59.93 3iaq s THR 229 Cb -0.06 -1.24 -0.03 0.00 1.34 0.00 0.00 72.50 72.51 3iaq s THR 229 CO -0.00 0.41 -0.17 0.00 -0.54 0.00 0.00 174.62 174.31 3iaq s ARG 230 N 0.96 1.00 0.20 3.99 1.70 -1.09 -4.85 118.95 120.86 3iaq s ARG 230 Ca -0.08 -1.11 0.06 0.00 -0.47 0.00 0.00 55.73 54.13 3iaq s ARG 230 Cb -0.15 -1.09 -0.05 0.00 -0.57 0.00 0.00 34.95 33.09 3iaq s ARG 230 CO -0.00 0.24 -0.10 -0.06 -1.08 0.00 0.00 175.30 174.30 3iaq s PHE 231 N -1.41 1.56 0.64 5.89 0.40 -1.26 -1.57 117.98 122.23 3iaq s PHE 231 Ca 0.04 -0.70 -0.11 0.00 -0.60 0.00 0.00 56.93 55.56 3iaq s PHE 231 Cb -0.09 -0.79 0.15 0.00 0.51 0.00 0.00 43.02 42.80 3iaq s PHE 231 CO 0.03 0.20 0.81 0.27 0.70 0.00 0.00 175.22 177.23 3iaq n ASN 232 N -0.34 -0.26 0.05 1.36 6.94 -0.96 -4.96 115.26 117.09 3iaq n ASN 232 Ca -0.08 -1.23 0.02 0.00 -0.02 0.00 0.00 54.58 53.27 3iaq n ASN 232 Cb 0.61 -0.64 0.39 0.00 -2.36 0.00 0.00 39.78 37.78 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 -1.28 0.38 -0.27 0.53 3.04 -2.02 -3.05 116.42 113.76 3iaq h ASP 233 Ca -0.27 -0.05 0.00 0.00 -3.24 0.00 0.00 57.03 53.48 3iaq h ASP 233 Cb 0.75 -0.10 0.00 0.00 -1.04 0.00 0.00 39.33 38.94 3iaq h ASP 233 CO 0.19 0.40 0.00 -0.90 -2.04 0.00 0.00 179.24 176.89 3iaq n ASP 234 N -4.36 2.70 -1.40 4.15 5.75 -1.26 -4.99 116.55 117.14 3iaq n ASP 234 Ca 0.01 -1.95 -0.15 0.00 -0.01 0.00 0.00 54.79 52.70 3iaq n ASP 234 Cb 0.18 -0.18 -0.03 0.00 -1.03 0.00 0.00 41.12 40.05 3iaq n ASP 234 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3iaq n PHE 235 N 0.37 -0.35 0.78 2.11 3.01 -1.15 -4.88 117.46 117.34 3iaq n PHE 235 Ca 0.09 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.67 3iaq n PHE 235 Cb 0.38 -2.84 0.20 0.00 -0.01 0.00 0.00 39.48 37.22 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 -0.58 0.58 -4.05 4.37 3.41 -1.26 -4.56 113.62 111.53 3iaq n SER 236 Ca -0.16 -0.08 -0.18 0.00 -0.26 0.00 0.00 58.87 58.19 3iaq n SER 236 Cb 0.56 0.26 -0.14 0.00 -0.26 0.00 0.00 64.21 64.63 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 -3.09 0.72 0.03 4.33 0.52 -1.26 0.06 118.95 120.26 3iaq s ARG 237 Ca 0.08 -0.49 -0.00 0.00 -0.52 0.00 0.00 55.73 54.80 3iaq s ARG 237 Cb 0.15 -0.67 -0.03 0.00 0.52 0.00 0.00 34.95 34.92 3iaq s ARG 237 CO 0.72 0.17 -0.03 0.00 0.02 0.00 0.00 175.30 176.18 3iaq s ALA 238 N -0.55 0.32 -0.22 2.13 0.00 -0.38 -2.26 121.76 120.80 3iaq s ALA 238 Ca 0.01 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.13 3iaq s ALA 238 Cb -0.05 0.19 0.04 0.00 0.00 0.00 0.00 23.12 23.30 3iaq s ALA 238 CO 0.00 -0.23 -0.14 0.08 0.00 0.00 0.00 175.76 175.47 3iaq s VAL 239 N -2.45 1.98 0.03 0.00 1.01 -0.61 -0.28 120.40 120.09 3iaq s VAL 239 Ca -0.06 -1.23 -0.30 0.00 0.00 0.00 0.00 61.98 60.39 3iaq s VAL 239 Cb -0.03 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 3iaq s VAL 239 CO -0.04 0.22 1.05 -0.22 0.00 0.00 0.00 175.10 176.10 3iaq s LEU 240 N 1.25 4.38 -0.19 3.92 0.20 0.22 -2.66 118.68 125.80 3iaq s LEU 240 Ca -0.02 1.78 0.01 0.00 0.69 0.00 0.00 54.13 56.59 3iaq s LEU 240 Cb -0.17 -3.57 0.04 0.00 -0.43 0.00 0.00 46.19 42.06 3iaq s LEU 240 CO -0.09 -0.31 -0.12 -0.70 -0.29 0.00 0.00 176.35 174.84 3iaq s GLU 241 N 0.95 2.17 -0.27 1.98 2.12 0.67 -0.70 118.70 125.63 3iaq s GLU 241 Ca 0.54 -0.79 0.02 0.00 0.36 0.00 0.00 54.97 55.10 3iaq s GLU 241 Cb -0.24 -2.36 0.06 0.00 0.26 0.00 0.00 34.13 31.84 3iaq s GLU 241 CO 0.29 -0.37 -0.08 0.00 -0.54 0.00 0.00 175.26 174.55 3iaq s ALA 242 N 1.40 2.63 -0.12 6.30 0.00 -0.20 -0.77 121.76 130.99 3iaq s ALA 242 Ca 0.00 -1.76 -0.24 0.00 0.00 0.00 0.00 51.96 49.96 3iaq s ALA 242 Cb -0.15 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.27 3iaq s ALA 242 CO -0.09 -1.21 0.77 -2.00 0.00 0.00 0.00 175.76 173.23 3iaq s GLU 243 N 1.14 4.36 -0.04 0.00 2.12 -0.92 -0.65 118.70 124.72 3iaq s GLU 243 Ca -0.08 0.95 0.07 0.00 0.36 0.00 0.00 54.97 56.27 3iaq s GLU 243 Cb -0.20 -3.52 -0.02 0.00 0.26 0.00 0.00 34.13 30.65 3iaq s GLU 243 CO -0.04 -0.15 -0.24 0.08 -0.54 0.00 0.00 175.26 174.37 3iaq s VAL 244 N 1.54 2.19 0.02 3.70 1.01 0.24 -1.56 120.40 127.53 3iaq s VAL 244 Ca 0.38 -1.05 0.05 0.00 0.00 0.00 0.00 61.98 61.36 3iaq s VAL 244 Cb -0.17 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 3iaq s VAL 244 CO 0.15 0.58 -0.15 -1.10 0.00 0.00 0.00 175.10 174.58 3iaq s GLN 245 N -0.49 1.12 0.25 2.72 -0.21 -0.35 -1.07 119.66 121.64 3iaq s GLN 245 Ca 0.06 -0.69 0.07 0.00 0.02 0.00 0.00 55.36 54.82 3iaq s GLN 245 Cb -0.11 -1.13 -0.05 0.00 1.00 0.00 0.00 33.01 32.72 3iaq s GLN 245 CO 0.01 0.29 -0.08 0.00 -2.12 0.00 0.00 175.29 173.39 3iaq s MET 246 N -0.80 1.47 0.33 2.91 0.23 -0.89 -0.45 119.30 122.10 3iaq s MET 246 Ca 0.04 -1.71 0.06 0.00 -1.03 0.00 0.00 55.69 53.04 3iaq s MET 246 Cb -0.07 -1.11 -0.07 0.00 -1.53 0.00 0.00 34.83 32.05 3iaq s MET 246 CO 0.01 0.08 0.01 0.00 -2.03 0.00 0.00 175.02 173.08 3iaq n GLY 248 N -0.72 -1.81 3.67 0.00 0.00 -1.23 -1.94 105.19 103.17 3iaq n GLY 248 Ca -0.04 -1.85 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 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 4.31 0.16 1.61 2.12 -1.26 -4.99 118.70 120.65 3iaq s GLU 249 Ca 0.00 1.51 -0.30 0.00 0.36 0.00 0.00 54.97 56.53 3iaq s GLU 249 Cb 0.00 -3.63 -0.08 0.00 0.26 0.00 0.00 34.13 30.68 3iaq s GLU 249 CO 0.00 -0.53 1.30 -0.51 -0.54 0.00 0.00 175.26 174.98 3iaq s LEU 250 N 2.77 4.40 0.01 2.70 1.43 -1.26 -4.98 118.68 123.75 3iaq s LEU 250 Ca 0.50 2.31 0.00 0.00 -1.03 0.00 0.00 54.13 55.92 3iaq s LEU 250 Cb -0.19 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.42 3iaq s LEU 250 CO 0.14 -0.53 -0.02 -0.13 0.23 0.00 0.00 176.35 176.04 3iaq s ARG 251 N 0.32 0.19 0.52 1.70 1.81 -1.26 -5.04 118.95 117.19 3iaq s ARG 251 Ca 0.58 -0.25 0.22 0.00 -1.72 0.00 0.00 55.73 54.56 3iaq s ARG 251 Cb -0.35 -0.06 1.40 0.00 -0.45 0.00 0.00 34.95 35.49 3iaq s ARG 251 CO 0.35 0.01 2.13 -0.44 -0.68 0.00 0.00 175.30 176.66 3iaq h ASP 252 N 5.60 0.00 1.25 0.23 3.32 -2.00 -2.02 116.42 122.79 3iaq h ASP 252 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3iaq h ASP 252 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3iaq h ASP 252 CO 0.47 0.07 0.00 0.00 -1.72 0.00 0.00 179.24 178.06 3iaq n TYR 253 N -4.11 0.68 -2.09 4.55 0.18 -1.26 -4.87 117.16 110.23 3iaq n TYR 253 Ca -0.03 0.21 -0.39 0.00 1.88 0.00 0.00 57.90 59.57 3iaq n TYR 253 Cb 0.15 -0.84 -0.01 0.00 -0.38 0.00 0.00 39.34 38.27 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 -4.14 4.20 0.01 -3.48 1.43 -0.76 0.18 118.68 116.12 3iaq s LEU 254 Ca 0.10 2.60 -0.03 0.00 -1.03 0.00 0.00 54.13 55.77 3iaq s LEU 254 Cb 0.13 -3.93 -0.01 0.00 0.03 0.00 0.00 46.19 42.41 3iaq s LEU 254 CO 0.55 -0.83 0.05 -0.13 0.23 0.00 0.00 176.35 176.21 3iaq s ARG 255 N -2.26 0.35 -0.15 1.70 1.81 0.13 -4.23 118.95 116.28 3iaq s ARG 255 Ca 0.57 -0.44 -0.00 0.00 -1.72 0.00 0.00 55.73 54.15 3iaq s ARG 255 Cb -0.37 0.13 -0.01 0.00 -0.45 0.00 0.00 34.95 34.26 3iaq s ARG 255 CO 0.47 -0.07 -0.14 0.08 -0.68 0.00 0.00 175.30 174.96 3iaq s VAL 256 N -1.23 2.81 -0.16 3.52 1.01 -0.84 -0.80 120.40 124.70 3iaq s VAL 256 Ca -0.13 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 3iaq s VAL 256 Cb -0.08 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 3iaq s VAL 256 CO 0.00 0.51 -0.05 -0.89 0.00 0.00 0.00 175.10 174.68 3iaq s THR 257 N 0.72 3.72 -0.22 3.92 2.01 -0.14 -2.58 115.64 123.07 3iaq s THR 257 Ca -0.06 -0.41 -0.03 0.00 0.31 0.00 0.00 61.69 61.49 3iaq s THR 257 Cb -0.15 -2.63 -0.00 0.00 0.01 0.00 0.00 72.50 69.72 3iaq s THR 257 CO 0.01 0.48 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.69 3iaq s VAL 258 N 0.57 3.27 0.03 3.82 1.01 -0.38 -0.54 120.40 128.18 3iaq s VAL 258 Ca -0.03 -0.58 0.09 0.00 0.00 0.00 0.00 61.98 61.46 3iaq s VAL 258 Cb -0.15 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 3iaq s VAL 258 CO 0.03 0.40 -0.26 -0.94 0.00 0.00 0.00 175.10 174.33 3iaq s SER 259 N 1.46 3.21 -0.10 3.32 1.04 -0.77 -1.11 113.70 120.73 3iaq s SER 259 Ca 0.05 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.94 3iaq s SER 259 Cb -0.14 -0.33 -0.02 0.00 0.10 0.00 0.00 66.02 65.62 3iaq s SER 259 CO -0.04 0.27 -0.11 -0.22 0.98 0.00 0.00 173.24 174.13 3iaq s LEU 260 N -1.11 2.88 -0.06 2.42 2.96 0.61 -0.99 118.68 125.38 3iaq s LEU 260 Ca 0.12 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.84 3iaq s LEU 260 Cb -0.10 -1.64 0.01 0.00 0.50 0.00 0.00 46.19 44.96 3iaq s LEU 260 CO 0.02 0.24 -0.14 0.26 -1.32 0.00 0.00 176.35 175.41 3iaq s TRP 261 N -0.12 1.62 -0.36 5.38 0.52 0.75 -1.29 118.94 125.44 3iaq s TRP 261 Ca -0.00 -0.58 -0.05 0.00 0.02 0.00 0.00 56.10 55.48 3iaq s TRP 261 Cb -0.13 -1.15 0.07 0.00 -1.15 0.00 0.00 33.47 31.10 3iaq s TRP 261 CO 0.03 -0.27 0.14 -1.14 0.02 0.00 0.00 176.95 175.73 3iaq s GLN 262 N 0.50 2.43 7.99 4.98 0.74 0.35 0.18 119.66 136.84 3iaq s GLN 262 Ca -0.13 -1.41 0.00 0.00 0.05 0.00 0.00 55.36 53.87 3iaq s GLN 262 Cb -0.15 -3.50 0.00 0.00 1.10 0.00 0.00 33.01 30.46 3iaq s GLN 262 CO 0.04 -0.82 0.00 0.41 -0.55 0.00 0.00 175.29 174.37 3iaq n GLY 263 N 4.74 4.27 0.69 2.59 0.00 -1.26 -1.36 105.19 114.86 3iaq n GLY 263 Ca -0.10 0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.13 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 13.91 1.43 -2.97 1.61 1.02 -1.26 -4.89 120.64 129.49 3iaq n GLU 264 Ca 0.00 -1.55 -0.42 0.00 -0.02 0.00 0.00 57.16 55.17 3iaq n GLU 264 Cb 0.00 -1.33 -0.05 0.00 -0.02 0.00 0.00 31.44 30.04 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 -1.40 4.84 -0.18 2.62 2.01 -0.47 -5.04 115.64 118.03 3iaq s THR 265 Ca 0.21 1.23 -0.27 0.00 0.31 0.00 0.00 61.69 63.17 3iaq s THR 265 Cb 0.14 -4.10 -0.01 0.00 0.01 0.00 0.00 72.50 68.55 3iaq s THR 265 CO 0.21 -0.16 0.92 -1.58 -0.69 0.00 0.00 174.62 173.33 3iaq s GLN 266 N 2.83 4.30 -0.12 4.92 0.74 -1.26 -0.49 119.66 130.59 3iaq s GLN 266 Ca 0.31 1.18 0.11 0.00 0.05 0.00 0.00 55.36 57.01 3iaq s GLN 266 Cb -0.15 -3.59 -0.24 0.00 1.10 0.00 0.00 33.01 30.14 3iaq s GLN 266 CO 0.11 -0.42 0.38 1.33 -0.55 0.00 0.00 175.29 176.14 3iaq n VAL 267 N 4.90 1.56 -3.53 1.34 0.24 -0.41 -4.96 118.33 117.47 3iaq n VAL 267 Ca 0.07 -0.78 -0.11 0.00 -2.04 0.00 0.00 64.34 61.48 3iaq n VAL 267 Cb 0.48 -0.99 -0.03 0.00 -1.47 0.00 0.00 33.84 31.83 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 -2.55 -1.34 -0.20 2.33 0.00 -1.19 -5.01 121.76 113.79 3iaq s ALA 268 Ca -0.11 0.24 -0.27 0.00 0.00 0.00 0.00 51.96 51.82 3iaq s ALA 268 Cb 0.07 0.83 0.10 0.00 0.00 0.00 0.00 23.12 24.13 3iaq s ALA 268 CO 0.80 -0.75 0.89 0.45 0.00 0.00 0.00 175.76 177.15 3iaq s SER 269 N -2.78 -0.53 -0.07 0.00 0.15 -1.26 -0.28 113.70 108.92 3iaq s SER 269 Ca 0.03 0.85 -0.13 0.00 0.70 0.00 0.00 55.95 57.40 3iaq s SER 269 Cb -0.00 0.80 0.03 0.00 -1.71 0.00 0.00 66.02 65.13 3iaq s SER 269 CO -0.11 -0.31 0.31 -0.83 1.20 0.00 0.00 173.24 173.50 3iaq s GLY 270 N -0.34 -0.19 -0.00 9.45 0.00 -0.27 -4.99 107.32 110.98 3iaq s GLY 270 Ca -0.01 0.59 0.02 0.00 0.00 0.00 0.00 44.72 45.32 3iaq s GLY 270 CO 0.00 0.43 -0.08 -1.59 0.00 0.00 0.00 173.10 171.86 3iaq s THR 271 N -0.60 0.62 0.06 0.90 2.01 -1.26 -1.25 115.64 116.12 3iaq s THR 271 Ca -0.07 -0.41 -0.20 0.00 0.31 0.00 0.00 61.69 61.32 3iaq s THR 271 Cb -0.04 -0.54 0.04 0.00 0.01 0.00 0.00 72.50 71.98 3iaq s THR 271 CO 0.02 0.12 0.47 0.00 -0.69 0.00 0.00 174.62 174.55 3iaq s ALA 272 N -0.29 -1.17 0.83 7.40 0.00 -1.06 -5.02 121.76 122.45 3iaq s ALA 272 Ca 0.02 0.39 -0.12 0.00 0.00 0.00 0.00 51.96 52.25 3iaq s ALA 272 Cb -0.04 0.45 0.09 0.00 0.00 0.00 0.00 23.12 23.63 3iaq s ALA 272 CO -0.00 -0.53 1.16 -1.25 0.00 0.00 0.00 175.76 175.14 3iaq s PRO 273 N -2.75 1.77 0.76 0.00 0.04 -1.26 -1.99 135.00 131.57 3iaq s PRO 273 Ca -0.04 0.19 -0.11 0.00 0.04 0.00 0.00 61.00 61.08 3iaq s PRO 273 Cb -0.00 -1.92 0.05 0.00 0.04 0.00 0.00 34.50 32.67 3iaq s PRO 273 CO -0.04 -1.74 1.10 -0.06 0.04 0.00 0.00 177.00 176.29 3iaq s PHE 274 N -3.47 2.53 0.00 0.56 0.08 -1.26 -4.87 117.98 111.54 3iaq s PHE 274 Ca 0.62 1.57 0.00 0.00 0.12 0.00 0.00 56.93 59.24 3iaq s PHE 274 Cb -0.12 -3.09 0.00 0.00 -0.57 0.00 0.00 43.02 39.24 3iaq s PHE 274 CO 0.50 -1.84 0.00 0.41 -0.10 0.00 0.00 175.22 174.19 3iaq n GLY 275 N -0.99 2.16 3.95 4.36 0.00 0.11 -4.98 105.19 109.79 3iaq n GLY 275 Ca 0.10 -0.78 -0.25 0.00 0.00 0.00 0.00 46.02 45.08 3iaq n GLY 275 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iaq s GLY 276 N 0.00 1.74 0.93 -0.02 0.00 -0.12 -4.78 107.32 105.07 3iaq s GLY 276 Ca 0.00 -1.22 -0.11 0.00 0.00 0.00 0.00 44.72 43.39 3iaq s GLY 276 CO 0.00 -0.72 0.97 -1.84 0.00 0.00 0.00 173.10 171.50 3iaq n GLU 277 N -3.00 -0.46 -1.87 2.90 0.28 -1.26 -4.51 120.64 112.72 3iaq n GLU 277 Ca 0.11 -0.07 -0.42 0.00 -0.16 0.00 0.00 57.16 56.61 3iaq n GLU 277 Cb 0.60 -2.25 -0.03 0.00 1.43 0.00 0.00 31.44 31.20 3iaq n GLU 277 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3iaq s ILE 278 N -2.58 3.24 -0.19 3.84 1.01 -1.26 -4.33 121.20 120.94 3iaq s ILE 278 Ca 0.65 0.41 -0.13 0.00 0.00 0.00 0.00 60.65 61.57 3iaq s ILE 278 Cb -0.23 -3.26 -0.21 0.00 0.01 0.00 0.00 42.46 38.77 3iaq s ILE 278 CO 0.60 -0.03 0.16 -0.38 0.00 0.00 0.00 174.94 175.30 3iaq n ILE 279 N 5.31 1.62 -2.85 2.92 2.08 0.92 -4.91 119.36 124.45 3iaq n ILE 279 Ca 0.18 -0.35 0.00 0.00 0.56 0.00 0.00 62.75 63.14 3iaq n ILE 279 Cb 0.42 -1.86 0.00 0.00 -0.75 0.00 0.00 39.64 37.45 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 -3.96 0.00 -0.01 4.38 5.68 -0.79 -5.01 116.55 116.84 3iaq n ASP 280 Ca -0.36 -0.44 0.20 0.00 -0.50 0.00 0.00 54.79 53.70 3iaq n ASP 280 Cb 0.87 0.00 0.69 0.00 -1.14 0.00 0.00 41.12 41.53 3iaq n ASP 280 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3iaq h GLU 281 N 0.00 0.01 -0.01 0.11 3.07 -2.05 -1.26 114.58 114.46 3iaq h GLU 281 Ca 0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3iaq h GLU 281 Cb 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3iaq h GLU 281 CO 0.00 0.01 -0.10 0.54 -1.40 0.00 0.00 179.01 178.06 3iaq n ARG 282 N -4.38 1.16 0.00 2.33 5.12 -1.26 -5.05 116.66 114.59 3iaq n ARG 282 Ca 0.10 -0.60 0.00 0.00 -1.93 0.00 0.00 57.85 55.42 3iaq n ARG 282 Cb 0.61 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.42 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 1.23 0.50 2.18 -0.13 0.00 -0.48 -5.05 105.19 103.45 3iaq n GLY 283 Ca 0.16 -1.66 -0.16 0.00 0.00 0.00 0.00 46.02 44.36 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 3.51 3.58 -0.02 0.00 -1.26 -0.06 105.19 110.95 3iaq n GLY 284 Ca 0.00 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 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 -2.58 2.53 0.03 1.61 2.02 -1.26 -4.87 117.35 114.83 3iaq s TYR 285 Ca 0.15 0.47 0.29 0.00 -0.37 0.00 0.00 57.07 57.61 3iaq s TYR 285 Cb 0.01 -4.47 1.06 0.00 -0.40 0.00 0.00 41.96 38.16 3iaq s TYR 285 CO 0.10 -1.68 1.87 0.00 -1.57 0.00 0.00 175.55 174.28 3iaq h ALA 286 N 9.97 1.00 -0.54 3.71 0.00 -1.94 -0.25 119.26 131.20 3iaq h ALA 286 Ca -0.25 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3iaq h ALA 286 Cb 1.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3iaq h ALA 286 CO 1.17 0.10 0.00 -0.40 0.00 0.00 0.00 179.25 180.12 3iaq n ASP 287 N -3.19 3.57 -4.30 0.00 5.75 -1.26 -3.16 116.55 113.96 3iaq n ASP 287 Ca 0.01 -2.22 -0.17 0.00 -0.01 0.00 0.00 54.79 52.40 3iaq n ASP 287 Cb 0.38 -0.46 -0.10 0.00 -1.03 0.00 0.00 41.12 39.91 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 -1.57 1.19 0.00 0.11 0.52 -1.14 -2.10 118.95 115.97 3iaq s ARG 288 Ca 0.40 -1.49 -0.13 0.00 -0.52 0.00 0.00 55.73 53.99 3iaq s ARG 288 Cb 0.24 -0.93 0.02 0.00 0.52 0.00 0.00 34.95 34.80 3iaq s ARG 288 CO 0.22 0.15 0.27 0.54 0.02 0.00 0.00 175.30 176.51 3iaq s VAL 289 N -2.95 0.07 -0.17 3.52 0.11 -0.23 0.04 120.40 120.78 3iaq s VAL 289 Ca 0.18 -0.57 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 3iaq s VAL 289 Cb -0.00 -0.66 0.04 0.00 -1.53 0.00 0.00 36.38 34.22 3iaq s VAL 289 CO 0.04 -0.32 -0.09 -0.89 -3.33 0.00 0.00 175.10 170.51 3iaq s THR 290 N -1.63 1.41 -0.06 5.04 2.01 -1.26 0.80 115.64 121.95 3iaq s THR 290 Ca -0.12 -0.75 -0.13 0.00 0.31 0.00 0.00 61.69 61.00 3iaq s THR 290 Cb -0.05 -1.47 -0.05 0.00 0.01 0.00 0.00 72.50 70.94 3iaq s THR 290 CO 0.02 0.23 0.34 -0.76 -0.69 0.00 0.00 174.62 173.76 3iaq s LEU 291 N 1.52 4.41 -0.13 4.42 2.01 0.18 -4.95 118.68 126.14 3iaq s LEU 291 Ca 0.01 0.78 0.01 0.00 0.01 0.00 0.00 54.13 54.95 3iaq s LEU 291 Cb -0.15 -2.45 0.02 0.00 0.01 0.00 0.00 46.19 43.62 3iaq s LEU 291 CO -0.09 0.29 -0.15 -0.13 1.01 0.00 0.00 176.35 177.28 3iaq s ARG 292 N -0.73 2.30 -0.11 1.70 0.52 -1.26 -1.03 118.95 120.34 3iaq s ARG 292 Ca 0.21 -0.58 0.02 0.00 -0.52 0.00 0.00 55.73 54.86 3iaq s ARG 292 Cb -0.15 -2.01 0.01 0.00 0.52 0.00 0.00 34.95 33.32 3iaq s ARG 292 CO 0.10 -0.13 -0.19 -0.51 0.02 0.00 0.00 175.30 174.59 3iaq s LEU 293 N 1.17 1.91 0.23 2.53 1.43 0.13 -4.98 118.68 121.09 3iaq s LEU 293 Ca -0.02 -0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 52.28 3iaq s LEU 293 Cb -0.14 -1.24 -0.09 0.00 0.03 0.00 0.00 46.19 44.75 3iaq s LEU 293 CO -0.05 0.06 1.09 0.20 0.23 0.00 0.00 176.35 177.88 3iaq s ASN 294 N 0.79 7.30 -0.11 2.29 0.01 -1.26 -0.61 114.94 123.35 3iaq s ASN 294 Ca -0.10 2.17 -0.00 0.00 -0.71 0.00 0.00 52.86 54.22 3iaq s ASN 294 Cb -0.16 -2.62 0.02 0.00 0.41 0.00 0.00 41.25 38.91 3iaq s ASN 294 CO 0.01 -0.15 -0.08 -0.69 -1.51 0.00 0.00 177.10 174.68 3iaq s VAL 295 N -0.76 1.02 -0.05 1.60 1.01 0.62 -4.85 120.40 118.98 3iaq s VAL 295 Ca 0.46 -0.29 -0.19 0.00 0.00 0.00 0.00 61.98 61.96 3iaq s VAL 295 Cb -0.30 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 3iaq s VAL 295 CO 0.38 0.36 0.53 -1.61 0.00 0.00 0.00 175.10 174.76 3iaq s GLU 296 N 1.64 4.29 -1.36 2.72 0.41 -1.26 -1.25 118.70 123.89 3iaq s GLU 296 Ca 0.04 0.59 -0.10 0.00 -0.41 0.00 0.00 54.97 55.09 3iaq s GLU 296 Cb -0.13 -3.37 0.01 0.00 -1.78 0.00 0.00 34.13 28.86 3iaq s GLU 296 CO -0.07 0.30 0.43 0.09 -0.49 0.00 0.00 175.26 175.52 3iaq n ASN 297 N 3.08 -1.58 -4.77 -0.19 3.02 0.11 -4.87 115.26 110.05 3iaq n ASN 297 Ca -0.07 -1.13 -0.40 0.00 -0.03 0.00 0.00 54.58 52.95 3iaq n ASN 297 Cb 0.51 -2.52 -0.01 0.00 -0.61 0.00 0.00 39.78 37.16 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 -6.81 4.08 -0.37 3.52 0.04 -1.26 -4.91 135.00 129.29 3iaq s PRO 298 Ca 0.17 2.28 -0.28 0.00 0.04 0.00 0.00 61.00 63.22 3iaq s PRO 298 Cb -0.08 -2.88 -0.02 0.00 0.04 0.00 0.00 34.50 31.56 3iaq s PRO 298 CO 0.93 -0.45 1.82 0.15 0.04 0.00 0.00 177.00 179.49 3iaq s LYS 299 N -2.10 3.22 0.54 4.56 1.02 -1.26 -4.97 119.74 120.75 3iaq s LYS 299 Ca 0.54 1.33 -0.18 0.00 0.02 0.00 0.00 55.97 57.68 3iaq s LYS 299 Cb -0.41 -4.23 -0.06 0.00 -0.52 0.00 0.00 37.83 32.61 3iaq s LYS 299 CO 0.54 -2.00 1.04 -0.51 -0.92 0.00 0.00 175.35 173.50 3iaq s LEU 300 N 7.28 3.65 -0.00 3.17 1.43 -1.26 -4.49 118.68 128.46 3iaq s LEU 300 Ca 0.79 1.81 -0.09 0.00 -1.03 0.00 0.00 54.13 55.61 3iaq s LEU 300 Cb -0.21 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.42 3iaq s LEU 300 CO 0.32 -0.92 0.31 0.86 0.23 0.00 0.00 176.35 177.14 3iaq s TRP 301 N -2.31 3.62 0.29 0.29 -0.00 0.39 -4.08 118.94 117.14 3iaq s TRP 301 Ca 0.64 0.71 -0.19 0.00 -0.00 0.00 0.00 56.10 57.26 3iaq s TRP 301 Cb -0.15 -2.09 0.02 0.00 -0.00 0.00 0.00 33.47 31.25 3iaq s TRP 301 CO 0.29 0.62 0.71 -1.54 -0.00 0.00 0.00 176.95 177.03 3iaq s SER 302 N -1.44 -0.20 0.48 5.86 1.04 -1.02 -4.63 113.70 113.79 3iaq s SER 302 Ca 0.25 -0.72 0.31 0.00 0.48 0.00 0.00 55.95 56.28 3iaq s SER 302 Cb -0.14 0.73 1.20 0.00 0.10 0.00 0.00 66.02 67.92 3iaq s SER 302 CO 0.14 -1.38 1.90 0.00 0.98 0.00 0.00 173.24 174.88 3iaq h ALA 303 N 2.02 1.00 0.13 5.32 0.00 -1.91 -2.34 119.26 123.48 3iaq h ALA 303 Ca -0.21 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3iaq h ALA 303 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3iaq h ALA 303 CO 0.27 0.00 -0.06 0.93 0.00 0.00 0.00 179.25 180.38 3iaq h GLU 304 N 0.00 -0.17 -3.64 0.00 5.08 -1.93 -3.42 114.58 110.50 3iaq h GLU 304 Ca 0.00 0.01 -0.60 0.00 -1.00 0.00 0.00 59.36 57.77 3iaq h GLU 304 Cb 0.53 0.04 -0.40 0.00 0.50 0.00 0.00 28.75 29.41 3iaq h GLU 304 CO 0.00 0.28 -0.74 0.42 -1.00 0.00 0.00 179.01 177.97 3iaq s ILE 305 N -3.03 1.30 -0.32 3.13 1.01 -1.22 -5.02 121.20 117.04 3iaq s ILE 305 Ca -0.12 -1.88 -0.05 0.00 0.00 0.00 0.00 60.65 58.60 3iaq s ILE 305 Cb -0.00 -1.96 -0.17 0.00 0.01 0.00 0.00 42.46 40.34 3iaq s ILE 305 CO 0.44 -0.71 2.78 -0.81 0.00 0.00 0.00 174.94 176.64 3iaq n PRO 306 N 4.40 1.86 -1.69 2.79 -0.04 -0.88 -2.44 135.00 139.00 3iaq n PRO 306 Ca 0.02 -1.03 -0.53 0.00 -0.04 0.00 0.00 63.50 61.92 3iaq n PRO 306 Cb 0.40 -2.07 -0.06 0.00 -0.04 0.00 0.00 33.50 31.73 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 2.96 2.74 -4.33 3.54 3.02 -1.26 -4.86 115.26 117.08 3iaq n ASN 307 Ca 0.40 1.04 -0.29 0.00 -0.03 0.00 0.00 54.58 55.70 3iaq n ASN 307 Cb 0.56 -1.24 -0.14 0.00 -0.61 0.00 0.00 39.78 38.35 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 3.30 2.18 0.30 3.41 1.43 -1.26 -4.30 118.68 123.75 3iaq s LEU 308 Ca 0.94 -0.59 0.10 0.00 -1.03 0.00 0.00 54.13 53.55 3iaq s LEU 308 Cb -0.90 -1.21 -0.05 0.00 0.03 0.00 0.00 46.19 44.06 3iaq s LEU 308 CO 0.57 0.23 -0.04 -0.31 0.23 0.00 0.00 176.35 177.03 3iaq s TYR 309 N -0.82 2.53 -0.16 0.29 1.51 0.13 -4.64 117.35 116.19 3iaq s TYR 309 Ca 0.11 -0.34 -0.01 0.00 -1.01 0.00 0.00 57.07 55.82 3iaq s TYR 309 Cb -0.10 -1.27 -0.01 0.00 -0.11 0.00 0.00 41.96 40.47 3iaq s TYR 309 CO 0.02 0.58 -0.12 0.50 -1.11 0.00 0.00 175.55 175.42 3iaq s ARG 310 N -3.65 3.29 -0.24 -0.62 6.06 0.13 0.11 118.95 124.02 3iaq s ARG 310 Ca 0.33 -0.71 -0.09 0.00 -2.50 0.00 0.00 55.73 52.76 3iaq s ARG 310 Cb -0.03 -2.71 -0.04 0.00 0.06 0.00 0.00 34.95 32.23 3iaq s ARG 310 CO 0.18 0.01 0.11 0.00 -2.50 0.00 0.00 175.30 173.10 3iaq s ALA 311 N 0.86 3.35 -0.18 6.12 0.00 -0.90 -0.18 121.76 130.83 3iaq s ALA 311 Ca -0.04 -1.01 -0.06 0.00 0.00 0.00 0.00 51.96 50.85 3iaq s ALA 311 Cb -0.15 -2.17 -0.03 0.00 0.00 0.00 0.00 23.12 20.77 3iaq s ALA 311 CO -0.00 -0.33 0.02 0.08 0.00 0.00 0.00 175.76 175.52 3iaq s VAL 312 N 1.33 4.28 -0.38 0.00 1.01 -0.16 -2.45 120.40 124.04 3iaq s VAL 312 Ca 0.06 -0.21 -0.05 0.00 0.00 0.00 0.00 61.98 61.77 3iaq s VAL 312 Cb -0.15 -2.92 0.07 0.00 0.00 0.00 0.00 36.38 33.39 3iaq s VAL 312 CO 0.05 0.45 0.16 -0.69 0.00 0.00 0.00 175.10 175.07 3iaq s VAL 313 N 0.62 3.63 -0.24 2.92 1.01 0.91 -1.86 120.40 127.40 3iaq s VAL 313 Ca 0.01 -1.52 -0.10 0.00 0.00 0.00 0.00 61.98 60.36 3iaq s VAL 313 Cb -0.14 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 3iaq s VAL 313 CO 0.02 -0.41 0.14 -1.61 0.00 0.00 0.00 175.10 173.24 3iaq s GLU 314 N 1.31 3.99 -0.33 2.72 2.02 0.30 -0.62 118.70 128.10 3iaq s GLU 314 Ca 0.02 -0.31 -0.14 0.00 0.02 0.00 0.00 54.97 54.56 3iaq s GLU 314 Cb -0.22 -3.50 -0.02 0.00 0.10 0.00 0.00 34.13 30.49 3iaq s GLU 314 CO -0.00 0.02 0.32 -1.17 0.02 0.00 0.00 175.26 174.44 3iaq s LEU 315 N 1.16 4.36 0.22 1.80 2.96 0.10 -0.96 118.68 128.32 3iaq s LEU 315 Ca 0.07 -0.18 -0.02 0.00 -0.22 0.00 0.00 54.13 53.78 3iaq s LEU 315 Cb -0.14 -2.28 -0.03 0.00 0.50 0.00 0.00 46.19 44.24 3iaq s LEU 315 CO 0.05 -0.26 0.20 -1.38 -1.32 0.00 0.00 176.35 173.64 3iaq s HIS 316 N 1.93 1.11 0.35 5.38 -3.43 0.02 -0.38 115.29 120.28 3iaq s HIS 316 Ca 0.10 -1.32 -0.02 0.00 -0.80 0.00 0.00 55.06 53.02 3iaq s HIS 316 Cb -0.17 -0.46 -0.04 0.00 -1.43 0.00 0.00 32.58 30.48 3iaq s HIS 316 CO 0.11 -0.73 0.59 0.95 -2.00 0.00 0.00 174.74 173.67 3iaq s THR 317 N -4.03 5.05 0.41 -5.38 -4.23 0.59 0.17 115.64 108.22 3iaq s THR 317 Ca 0.37 -0.21 0.09 0.00 -1.18 0.00 0.00 61.69 60.76 3iaq s THR 317 Cb 0.05 -3.83 0.29 0.00 1.34 0.00 0.00 72.50 70.36 3iaq s THR 317 CO 0.13 -0.55 2.01 0.00 -0.54 0.00 0.00 174.62 175.68 3iaq h ALA 318 N 0.91 1.82 0.00 3.99 0.00 -0.59 -0.24 119.26 125.15 3iaq h ALA 318 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3iaq h ALA 318 Cb 1.21 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3iaq h ALA 318 CO 0.63 0.10 0.00 -0.40 0.00 0.00 0.00 179.25 179.58 3iaq n ASP 319 N -4.47 0.49 0.00 0.00 5.75 -1.26 -4.86 116.55 112.20 3iaq n ASP 319 Ca 0.07 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 52.95 3iaq n ASP 319 Cb 0.21 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 3iaq n ASP 319 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3iaq n GLY 320 N 0.23 0.89 3.69 6.12 0.00 -0.10 -5.03 105.19 110.98 3iaq n GLY 320 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.17 4.18 0.04 2.61 2.01 -1.24 -4.82 115.64 115.24 3iaq s THR 321 Ca 0.00 1.52 -0.30 0.00 0.31 0.00 0.00 61.69 63.22 3iaq s THR 321 Cb 0.00 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 3iaq s THR 321 CO 0.00 0.01 0.95 -0.22 -0.69 0.00 0.00 174.62 174.67 3iaq s LEU 322 N 2.13 4.42 -0.22 4.42 2.96 -1.26 -0.30 118.68 130.83 3iaq s LEU 322 Ca 0.57 1.68 -0.19 0.00 -0.22 0.00 0.00 54.13 55.97 3iaq s LEU 322 Cb -0.26 -3.54 -0.17 0.00 0.50 0.00 0.00 46.19 42.72 3iaq s LEU 322 CO 0.23 -0.17 0.08 -0.38 -1.32 0.00 0.00 176.35 174.79 3iaq n ILE 323 N 3.46 1.53 -3.54 6.68 5.41 0.49 -4.95 119.36 128.43 3iaq n ILE 323 Ca 0.04 -0.07 -0.08 0.00 1.00 0.00 0.00 62.75 63.65 3iaq n ILE 323 Cb 0.50 -2.04 -0.02 0.00 -0.71 0.00 0.00 39.64 37.37 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 -2.39 0.83 -0.01 0.38 -1.05 -0.95 -4.88 118.70 110.64 3iaq s GLU 324 Ca -0.30 -0.33 0.06 0.00 -0.15 0.00 0.00 54.97 54.25 3iaq s GLU 324 Cb 0.07 0.37 -0.02 0.00 -0.44 0.00 0.00 34.13 34.11 3iaq s GLU 324 CO 0.55 -0.37 -0.19 0.00 0.95 0.00 0.00 175.26 176.20 3iaq s ALA 325 N -3.10 1.61 0.41 -0.84 0.00 0.89 -0.72 121.76 120.00 3iaq s ALA 325 Ca 0.06 -0.86 0.05 0.00 0.00 0.00 0.00 51.96 51.21 3iaq s ALA 325 Cb -0.01 -0.39 -0.06 0.00 0.00 0.00 0.00 23.12 22.66 3iaq s ALA 325 CO -0.07 0.39 0.03 -1.21 0.00 0.00 0.00 175.76 174.89 3iaq s GLU 326 N -0.57 1.93 0.15 0.00 0.41 0.21 -1.65 118.70 119.18 3iaq s GLU 326 Ca 0.07 -2.12 -0.25 0.00 -0.41 0.00 0.00 54.97 52.26 3iaq s GLU 326 Cb -0.08 -1.37 0.06 0.00 -1.78 0.00 0.00 34.13 30.97 3iaq s GLU 326 CO -0.00 -0.16 0.95 0.00 -0.49 0.00 0.00 175.26 175.56 3iaq s ALA 327 N -2.91 -1.66 0.13 5.21 0.00 -1.26 -0.06 121.76 121.21 3iaq s ALA 327 Ca 0.30 0.17 -0.24 0.00 0.00 0.00 0.00 51.96 52.18 3iaq s ALA 327 Cb 0.08 0.63 0.07 0.00 0.00 0.00 0.00 23.12 23.90 3iaq s ALA 327 CO 0.15 -1.02 0.67 0.00 0.00 0.00 0.00 175.76 175.56 3iaq s ASP 329 N -2.70 7.36 -0.24 0.00 1.01 -1.26 -2.13 116.67 118.70 3iaq s ASP 329 Ca 0.03 1.63 0.01 0.00 0.71 0.00 0.00 52.55 54.93 3iaq s ASP 329 Cb -0.01 -2.55 0.04 0.00 1.01 0.00 0.00 42.92 41.40 3iaq s ASP 329 CO -0.11 -0.17 -0.11 -0.69 0.21 0.00 0.00 175.17 174.30 3iaq s VAL 330 N 0.60 2.41 -0.25 -1.27 1.01 0.30 -4.57 120.40 118.63 3iaq s VAL 330 Ca 0.48 -1.24 -0.08 0.00 0.00 0.00 0.00 61.98 61.13 3iaq s VAL 330 Cb -0.21 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 3iaq s VAL 330 CO 0.27 0.19 0.10 -0.83 0.00 0.00 0.00 175.10 174.83 3iaq s GLY 331 N 1.23 1.81 -0.78 4.51 0.00 -1.26 0.21 107.32 113.04 3iaq s GLY 331 Ca -0.02 -1.10 -0.26 0.00 0.00 0.00 0.00 44.72 43.34 3iaq s GLY 331 CO -0.07 0.54 1.51 -1.36 0.00 0.00 0.00 173.10 173.72 3iaq s PHE 332 N 1.59 2.15 -0.00 1.90 0.40 -1.26 -4.79 117.98 117.96 3iaq s PHE 332 Ca 0.06 0.04 -0.06 0.00 -0.60 0.00 0.00 56.93 56.36 3iaq s PHE 332 Cb -0.15 -4.47 0.00 0.00 0.51 0.00 0.00 43.02 38.91 3iaq s PHE 332 CO 0.05 -2.07 0.13 -0.98 0.70 0.00 0.00 175.22 173.05 3iaq s ARG 333 N 5.99 0.44 -0.13 0.44 3.03 -1.26 -0.46 118.95 126.99 3iaq s ARG 333 Ca 0.48 -0.35 0.01 0.00 2.03 0.00 0.00 55.73 57.89 3iaq s ARG 333 Cb -0.07 0.18 -0.01 0.00 -1.03 0.00 0.00 34.95 34.02 3iaq s ARG 333 CO 0.10 -0.10 -0.15 -2.00 -1.13 0.00 0.00 175.30 172.02 3iaq s GLU 334 N -1.23 3.30 -0.16 3.89 2.12 -1.26 -4.87 118.70 120.50 3iaq s GLU 334 Ca -0.13 -0.73 -0.00 0.00 0.36 0.00 0.00 54.97 54.47 3iaq s GLU 334 Cb -0.07 -2.59 -0.00 0.00 0.26 0.00 0.00 34.13 31.73 3iaq s GLU 334 CO 0.01 0.16 -0.14 0.08 -0.54 0.00 0.00 175.26 174.83 3iaq s VAL 335 N 0.47 2.81 0.09 3.70 1.01 -1.26 -0.54 120.40 126.68 3iaq s VAL 335 Ca -0.11 -0.72 -0.24 0.00 0.00 0.00 0.00 61.98 60.91 3iaq s VAL 335 Cb -0.16 -2.19 0.06 0.00 0.00 0.00 0.00 36.38 34.09 3iaq s VAL 335 CO 0.05 0.51 0.59 0.00 0.00 0.00 0.00 175.10 176.25 3iaq s ARG 336 N 0.78 1.17 -0.31 2.72 1.70 -0.96 -4.54 118.95 119.51 3iaq s ARG 336 Ca -0.05 -0.26 -0.08 0.00 -0.47 0.00 0.00 55.73 54.87 3iaq s ARG 336 Cb -0.15 0.54 0.01 0.00 -0.57 0.00 0.00 34.95 34.78 3iaq s ARG 336 CO 0.01 -0.46 0.11 0.42 -1.08 0.00 0.00 175.30 174.30 3iaq s ILE 337 N -2.88 4.18 -0.05 4.99 1.01 -1.26 0.02 121.20 127.20 3iaq s ILE 337 Ca -0.03 -0.68 0.05 0.00 0.00 0.00 0.00 60.65 59.98 3iaq s ILE 337 Cb -0.01 -3.19 -0.00 0.00 0.01 0.00 0.00 42.46 39.27 3iaq s ILE 337 CO -0.05 0.02 -0.19 -0.70 0.00 0.00 0.00 174.94 174.02 3iaq s GLU 338 N 1.53 2.01 -1.69 2.79 2.12 -0.47 -4.79 118.70 120.21 3iaq s GLU 338 Ca 0.03 -0.67 -0.20 0.00 0.36 0.00 0.00 54.97 54.48 3iaq s GLU 338 Cb -0.18 -1.71 0.18 0.00 0.26 0.00 0.00 34.13 32.69 3iaq s GLU 338 CO 0.04 0.26 0.66 -1.71 -0.54 0.00 0.00 175.26 173.96 3iaq n ASN 339 N 3.16 -2.61 0.00 -1.70 5.15 -1.26 -0.98 115.26 117.02 3iaq n ASN 339 Ca -0.18 -1.01 0.00 0.00 -0.60 0.00 0.00 54.58 52.79 3iaq n ASN 339 Cb 0.53 -2.19 0.00 0.00 -0.53 0.00 0.00 39.78 37.58 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 -1.19 0.81 3.44 8.20 0.00 -1.26 -5.05 105.19 110.15 3iaq n GLY 340 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 2.60 -0.40 0.99 1.43 -0.15 -2.63 118.68 120.52 3iaq s LEU 341 Ca 0.00 -0.26 -0.28 0.00 -1.03 0.00 0.00 54.13 52.56 3iaq s LEU 341 Cb 0.00 -1.52 0.02 0.00 0.03 0.00 0.00 46.19 44.73 3iaq s LEU 341 CO 0.00 0.33 1.07 -0.22 0.23 0.00 0.00 176.35 177.76 3iaq s LEU 342 N -0.64 3.82 -0.12 1.79 2.96 -1.26 -1.36 118.68 123.87 3iaq s LEU 342 Ca 0.10 0.67 -0.05 0.00 -0.22 0.00 0.00 54.13 54.63 3iaq s LEU 342 Cb -0.11 -3.48 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 3iaq s LEU 342 CO 0.01 -1.04 0.07 -0.76 -1.32 0.00 0.00 176.35 173.30 3iaq s LEU 343 N 3.96 3.94 -0.22 -0.68 1.43 0.10 -2.27 118.68 124.96 3iaq s LEU 343 Ca 0.45 0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 53.78 3iaq s LEU 343 Cb -0.10 -1.95 0.01 0.00 0.03 0.00 0.00 46.19 44.18 3iaq s LEU 343 CO 0.23 0.34 -0.09 -0.22 0.23 0.00 0.00 176.35 176.84 3iaq s LEU 344 N -0.61 2.74 -1.37 1.79 2.96 0.11 -2.25 118.68 122.05 3iaq s LEU 344 Ca 0.11 -0.58 -0.06 0.00 -0.22 0.00 0.00 54.13 53.38 3iaq s LEU 344 Cb -0.12 -1.65 0.00 0.00 0.50 0.00 0.00 46.19 44.93 3iaq s LEU 344 CO 0.02 -0.04 0.44 0.59 -1.32 0.00 0.00 176.35 176.04 3iaq n ASN 345 N 4.72 -1.25 0.00 3.68 3.02 0.30 -1.37 115.26 124.36 3iaq n ASN 345 Ca -0.19 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.29 3iaq n ASN 345 Cb 0.50 -2.76 0.00 0.00 -0.61 0.00 0.00 39.78 36.90 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 -2.04 1.17 3.49 7.41 0.00 -1.26 -5.00 105.19 108.95 3iaq n GLY 346 Ca -0.26 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.18 2.68 -0.45 1.61 -0.14 -0.47 -4.97 119.74 117.82 3iaq s LYS 347 Ca 0.00 -0.66 -0.29 0.00 -1.36 0.00 0.00 55.97 53.66 3iaq s LYS 347 Cb 0.00 -2.46 0.01 0.00 -1.68 0.00 0.00 37.83 33.70 3iaq s LYS 347 CO 0.00 0.58 1.41 -1.25 -0.76 0.00 0.00 175.35 175.32 3iaq s PRO 348 N -0.60 3.50 0.54 -1.68 0.04 -1.26 0.07 135.00 135.62 3iaq s PRO 348 Ca 0.09 0.80 -0.22 0.00 0.04 0.00 0.00 61.00 61.71 3iaq s PRO 348 Cb -0.11 -4.05 -0.05 0.00 0.04 0.00 0.00 34.50 30.33 3iaq s PRO 348 CO 0.01 -1.67 1.34 -0.51 0.04 0.00 0.00 177.00 176.22 3iaq s LEU 349 N 5.60 3.85 -0.29 -3.56 1.43 -0.96 -4.97 118.68 119.77 3iaq s LEU 349 Ca 0.59 2.72 0.02 0.00 -1.03 0.00 0.00 54.13 56.43 3iaq s LEU 349 Cb -0.13 -4.29 0.07 0.00 0.03 0.00 0.00 46.19 41.87 3iaq s LEU 349 CO 0.31 -1.55 -0.04 -0.22 0.23 0.00 0.00 176.35 175.08 3iaq s LEU 350 N -3.53 3.91 -0.61 1.79 2.96 -1.26 -4.78 118.68 117.15 3iaq s LEU 350 Ca 0.72 -1.59 -0.28 0.00 -0.22 0.00 0.00 54.13 52.76 3iaq s LEU 350 Cb -0.39 -1.61 0.03 0.00 0.50 0.00 0.00 46.19 44.72 3iaq s LEU 350 CO 0.46 -0.26 1.22 -0.63 -1.32 0.00 0.00 176.35 175.83 3iaq s ILE 351 N 1.08 3.94 -1.12 6.68 -1.09 0.85 -4.94 121.20 126.60 3iaq s ILE 351 Ca -0.03 0.79 -0.08 0.00 -2.23 0.00 0.00 60.65 59.09 3iaq s ILE 351 Cb -0.20 -4.76 0.28 0.00 -1.58 0.00 0.00 42.46 36.20 3iaq s ILE 351 CO -0.05 -1.45 1.22 0.54 -1.23 0.00 0.00 174.94 173.97 3iaq n ARG 352 N 8.66 3.72 -4.67 2.79 1.74 -1.26 -2.27 116.66 125.37 3iaq n ARG 352 Ca 0.08 -4.43 -0.31 0.00 -0.77 0.00 0.00 57.85 52.42 3iaq n ARG 352 Cb 0.49 -2.58 -0.09 0.00 -1.02 0.00 0.00 32.46 29.26 3iaq n ARG 352 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3iaq s GLY 353 N 0.79 2.81 -0.05 -0.13 0.00 -0.90 -0.31 107.32 109.53 3iaq s GLY 353 Ca 0.32 -1.14 -0.16 0.00 0.00 0.00 0.00 44.72 43.74 3iaq s GLY 353 CO -0.04 -2.15 0.37 0.54 0.00 0.00 0.00 173.10 171.82 3iaq s VAL 354 N -2.81 0.04 0.26 1.40 0.11 -0.96 -1.47 120.40 116.97 3iaq s VAL 354 Ca 0.18 -0.31 -0.30 0.00 -2.93 0.00 0.00 61.98 58.62 3iaq s VAL 354 Cb 0.05 -0.64 -0.09 0.00 -1.53 0.00 0.00 36.38 34.17 3iaq s VAL 354 CO 0.09 -0.17 1.03 0.20 -3.33 0.00 0.00 175.10 172.92 3iaq s ASN 355 N -0.93 7.44 -0.16 3.54 0.01 0.19 -1.65 114.94 123.39 3iaq s ASN 355 Ca -0.10 2.12 -0.04 0.00 -0.71 0.00 0.00 52.86 54.13 3iaq s ASN 355 Cb -0.04 -2.62 0.06 0.00 0.41 0.00 0.00 41.25 39.06 3iaq s ASN 355 CO 0.04 -0.01 0.07 -0.60 -1.51 0.00 0.00 177.10 175.09 3iaq s ARG 356 N -1.28 0.25 0.47 -0.60 3.52 -1.07 -0.76 118.95 119.48 3iaq s ARG 356 Ca 0.43 -0.13 -0.20 0.00 -0.13 0.00 0.00 55.73 55.70 3iaq s ARG 356 Cb -0.29 -1.76 -0.09 0.00 -1.56 0.00 0.00 34.95 31.25 3iaq s ARG 356 CO 0.37 -0.61 0.99 -1.01 -0.81 0.00 0.00 175.30 174.22 3iaq s HIS 357 N 2.05 3.23 -0.81 5.12 3.76 -1.26 -3.86 115.29 123.52 3iaq s HIS 357 Ca 0.02 1.57 -0.26 0.00 -0.15 0.00 0.00 55.06 56.24 3iaq s HIS 357 Cb -0.16 -2.91 0.03 0.00 1.11 0.00 0.00 32.58 30.66 3iaq s HIS 357 CO -0.08 -0.40 1.34 -1.21 -0.85 0.00 0.00 174.74 173.54 3iaq s GLU 358 N -3.39 3.28 -0.01 1.40 2.02 -1.26 -4.92 118.70 115.83 3iaq s GLU 358 Ca 0.63 -0.46 0.02 0.00 0.02 0.00 0.00 54.97 55.18 3iaq s GLU 358 Cb -0.11 -4.51 -0.00 0.00 0.10 0.00 0.00 34.13 29.61 3iaq s GLU 358 CO 0.19 -2.19 -0.06 -1.58 0.02 0.00 0.00 175.26 171.65 3iaq s HIS 359 N 5.63 0.51 -0.04 1.61 2.46 -1.26 -4.46 115.29 119.75 3iaq s HIS 359 Ca 0.39 -0.10 -0.01 0.00 0.47 0.00 0.00 55.06 55.81 3iaq s HIS 359 Cb -0.06 -0.34 0.03 0.00 -0.13 0.00 0.00 32.58 32.09 3iaq s HIS 359 CO 0.08 -0.01 0.07 -1.58 -2.47 0.00 0.00 174.74 170.83 3iaq s HIS 360 N -0.11 -0.01 0.56 3.88 5.04 0.93 -5.00 115.29 120.59 3iaq s HIS 360 Ca 0.02 0.26 0.25 0.00 -1.54 0.00 0.00 55.06 54.05 3iaq s HIS 360 Cb -0.02 -0.29 1.57 0.00 0.04 0.00 0.00 32.58 33.88 3iaq s HIS 360 CO -0.00 -0.14 2.14 -1.00 -2.34 0.00 0.00 174.74 173.40 3iaq h PRO 361 N 7.70 0.00 0.02 2.88 0.13 -1.78 0.16 132.00 141.10 3iaq h PRO 361 Ca -0.33 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.40 3iaq h PRO 361 Cb 1.12 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.19 3iaq h PRO 361 CO 0.35 0.00 -2.29 1.28 -0.23 0.00 0.00 178.00 177.12 3iaq n LEU 362 N -4.08 2.40 -1.00 1.56 4.77 -1.26 -1.99 117.00 117.40 3iaq n LEU 362 Ca 0.00 0.16 0.12 0.00 -0.03 0.00 0.00 56.01 56.26 3iaq n LEU 362 Cb 0.23 -0.91 0.14 0.00 -2.33 0.00 0.00 43.42 40.54 3iaq n LEU 362 CO 0.30 0.71 0.65 1.41 -1.33 0.00 0.00 177.39 179.13 3iaq n HIS 363 N -3.82 0.12 0.00 -1.77 8.25 -1.15 -4.90 115.22 111.94 3iaq n HIS 363 Ca -0.46 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 56.94 3iaq n HIS 363 Cb 0.92 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.03 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 1.38 1.55 0.70 -1.41 0.00 0.55 -3.04 105.19 104.92 3iaq n GLY 364 Ca 0.15 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.22 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 2.38 -2.63 1.61 6.02 -1.26 -0.05 117.38 123.45 3iaq n GLN 365 Ca 0.00 -1.95 -0.42 0.00 -0.01 0.00 0.00 57.00 54.62 3iaq n GLN 365 Cb 0.00 -1.30 -0.03 0.00 1.02 0.00 0.00 30.24 29.93 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 -1.02 4.66 0.07 5.09 1.01 -1.17 -4.86 120.40 124.18 3iaq s VAL 366 Ca 0.25 1.94 -0.05 0.00 0.00 0.00 0.00 61.98 64.12 3iaq s VAL 366 Cb 0.13 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 3iaq s VAL 366 CO 0.18 -0.01 0.30 -0.04 0.00 0.00 0.00 175.10 175.53 3iaq s MET 367 N 2.12 3.57 0.11 2.72 -1.94 -1.26 -4.72 119.30 119.90 3iaq s MET 367 Ca 0.50 -0.15 0.04 0.00 -1.71 0.00 0.00 55.69 54.37 3iaq s MET 367 Cb -0.20 -2.99 -0.04 0.00 2.01 0.00 0.00 34.83 33.62 3iaq s MET 367 CO 0.18 0.57 -0.10 0.16 -0.01 0.00 0.00 175.02 175.83 3iaq s ASP 368 N -2.13 1.53 0.16 3.03 -4.77 -1.26 -5.04 116.67 108.20 3iaq s ASP 368 Ca 0.34 -0.89 -0.15 0.00 -3.30 0.00 0.00 52.55 48.54 3iaq s ASP 368 Cb -0.13 0.01 0.07 0.00 -1.09 0.00 0.00 42.92 41.78 3iaq s ASP 368 CO 0.22 -0.30 1.78 -0.08 0.70 0.00 0.00 175.17 177.48 3iaq h GLU 369 N 3.27 0.38 -0.40 2.11 4.81 -1.99 -1.50 114.58 121.26 3iaq h GLU 369 Ca -0.37 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 58.89 3iaq h GLU 369 Cb 1.19 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 3iaq h GLU 369 CO 0.57 0.25 0.14 0.37 -0.73 0.00 0.00 179.01 179.62 3iaq h GLN 370 N 0.40 0.30 -0.31 1.92 4.15 -1.99 0.12 115.11 119.70 3iaq h GLN 370 Ca 0.18 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.56 3iaq h GLN 370 Cb 0.09 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.70 3iaq h GLN 370 CO -0.13 0.20 0.11 1.15 -1.93 0.00 0.00 178.83 178.22 3iaq h THR 371 N 0.31 1.19 -0.36 2.39 2.02 -1.94 -0.55 112.91 115.97 3iaq h THR 371 Ca 0.18 -0.61 0.03 0.00 0.77 0.00 0.00 66.41 66.79 3iaq h THR 371 Cb 0.16 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 3iaq h THR 371 CO -0.18 0.21 0.16 0.24 0.37 0.00 0.00 175.52 176.31 3iaq h MET 372 N 0.34 0.32 -0.45 6.66 2.86 -0.86 -1.57 114.93 122.23 3iaq h MET 372 Ca 0.10 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.65 3iaq h MET 372 Cb 0.22 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 3iaq h MET 372 CO -0.01 0.21 0.01 0.28 1.06 0.00 0.00 176.91 178.46 3iaq h VAL 373 N 0.33 1.26 -0.22 -2.22 2.07 -0.72 -2.10 116.25 114.65 3iaq h VAL 373 Ca 0.16 -1.04 0.06 0.00 0.82 0.00 0.00 66.70 66.70 3iaq h VAL 373 Cb 0.09 1.04 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 3iaq h VAL 373 CO -0.13 0.36 -0.32 -0.61 0.02 0.00 0.00 177.57 176.89 3iaq h GLN 374 N 0.64 -0.33 -0.37 1.57 4.15 -0.87 -1.50 115.11 118.41 3iaq h GLN 374 Ca 0.13 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.63 3iaq h GLN 374 Cb 0.49 0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.20 3iaq h GLN 374 CO 0.02 -0.22 0.05 -0.44 -1.93 0.00 0.00 178.83 176.32 3iaq h ASP 375 N -0.34 -0.03 -0.38 -0.69 3.32 -1.13 -2.10 116.42 115.07 3iaq h ASP 375 Ca 0.12 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 3iaq h ASP 375 Cb 0.54 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 3iaq h ASP 375 CO -0.41 0.02 0.22 0.40 -1.72 0.00 0.00 179.24 177.75 3iaq h ILE 376 N 0.17 1.14 -0.32 0.35 2.04 -1.03 -0.87 117.51 118.99 3iaq h ILE 376 Ca 0.18 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 3iaq h ILE 376 Cb 0.22 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 3iaq h ILE 376 CO -0.25 0.14 0.19 -0.07 0.00 0.00 0.00 178.15 178.16 3iaq h LEU 377 N 0.49 0.38 -0.86 1.44 3.38 -1.10 -1.54 115.31 117.50 3iaq h LEU 377 Ca 0.13 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3iaq h LEU 377 Cb 0.03 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3iaq h LEU 377 CO -0.02 0.32 0.54 -0.07 0.09 0.00 0.00 178.44 179.30 3iaq h LEU 378 N 0.41 1.02 0.25 1.67 3.38 -1.20 0.13 115.31 120.97 3iaq h LEU 378 Ca 0.12 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3iaq h LEU 378 Cb 0.01 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3iaq h LEU 378 CO -0.02 0.77 -0.19 0.24 0.09 0.00 0.00 178.44 179.33 3iaq h MET 379 N 1.18 -0.43 -0.38 1.13 2.86 -0.85 -2.11 114.93 116.32 3iaq h MET 379 Ca 0.31 0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.89 3iaq h MET 379 Cb -0.08 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 3iaq h MET 379 CO -0.06 -0.29 -0.15 0.87 1.06 0.00 0.00 176.91 178.34 3iaq h LYS 380 N -0.45 0.69 0.00 1.72 1.57 -1.06 0.20 116.57 119.25 3iaq h LYS 380 Ca -0.01 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3iaq h LYS 380 Cb 0.40 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3iaq h LYS 380 CO -0.01 0.81 0.00 1.04 -0.57 0.00 0.00 179.45 180.72 3iaq n GLN 381 N -4.15 0.16 -0.47 3.15 6.02 0.43 -2.21 117.38 120.31 3iaq n GLN 381 Ca 0.01 0.46 0.05 0.00 -0.01 0.00 0.00 57.00 57.50 3iaq n GLN 381 Cb 0.38 -1.84 0.20 0.00 1.02 0.00 0.00 30.24 29.99 3iaq n GLN 381 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3iaq n ASN 382 N -2.15 2.67 -2.41 1.08 3.02 -0.74 -4.96 115.26 111.76 3iaq n ASN 382 Ca 0.01 -3.42 -0.18 0.00 -0.03 0.00 0.00 54.58 50.97 3iaq n ASN 382 Cb 0.17 -0.54 0.03 0.00 -0.61 0.00 0.00 39.78 38.83 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 -1.05 -5.19 -4.79 6.41 3.02 -0.94 -3.83 115.26 108.90 3iaq n ASN 383 Ca 0.23 -0.22 -0.38 0.00 -0.03 0.00 0.00 54.58 54.18 3iaq n ASN 383 Cb 0.83 -4.04 -0.06 0.00 -0.61 0.00 0.00 39.78 35.90 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 -3.04 3.66 0.00 3.10 0.08 -0.02 -4.82 117.98 116.94 3iaq s PHE 384 Ca 0.23 0.99 0.00 0.00 0.12 0.00 0.00 56.93 58.28 3iaq s PHE 384 Cb -0.10 -2.42 0.00 0.00 -0.57 0.00 0.00 43.02 39.93 3iaq s PHE 384 CO 0.29 0.45 0.58 0.27 -0.10 0.00 0.00 175.22 176.71 3iaq n ASN 385 N 2.53 1.15 -3.80 1.36 0.23 0.57 -4.12 115.26 113.18 3iaq n ASN 385 Ca -0.11 -1.22 -0.12 0.00 -0.53 0.00 0.00 54.58 52.60 3iaq n ASN 385 Cb 0.52 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.13 3iaq n ASN 385 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3iaq s ALA 386 N -0.22 -0.60 -0.00 -2.53 0.00 -1.13 -0.02 121.76 117.25 3iaq s ALA 386 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.05 3iaq s ALA 386 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.26 3iaq s ALA 386 CO 0.00 -0.27 -0.00 0.54 0.00 0.00 0.00 175.76 176.02 3iaq s VAL 387 N -1.63 0.03 -0.15 0.00 0.11 0.11 -2.27 120.40 116.60 3iaq s VAL 387 Ca -0.12 -0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 58.87 3iaq s VAL 387 Cb -0.05 -0.04 -0.04 0.00 -1.53 0.00 0.00 36.38 34.72 3iaq s VAL 387 CO 0.02 0.01 0.05 -0.60 -3.33 0.00 0.00 175.10 171.25 3iaq s ARG 388 N 0.06 3.64 -1.39 1.54 3.52 -0.66 -1.19 118.95 124.47 3iaq s ARG 388 Ca -0.00 -0.35 -0.15 0.00 -0.13 0.00 0.00 55.73 55.10 3iaq s ARG 388 Cb -0.01 -3.08 0.06 0.00 -1.56 0.00 0.00 34.95 30.37 3iaq s ARG 388 CO -0.00 0.44 2.02 0.00 -0.81 0.00 0.00 175.30 176.95 3iaq s SER 390 N 3.34 6.93 -0.45 0.00 1.04 -1.25 -1.21 113.70 122.09 3iaq s SER 390 Ca 0.48 1.06 0.09 0.00 0.48 0.00 0.00 55.95 58.06 3iaq s SER 390 Cb 0.10 -2.53 0.37 0.00 0.10 0.00 0.00 66.02 64.06 3iaq s SER 390 CO -0.03 -0.84 0.91 1.41 0.98 0.00 0.00 173.24 175.67 3iaq n HIS 391 N 6.77 2.29 -3.46 5.02 -0.00 -1.26 -4.06 115.22 120.52 3iaq n HIS 391 Ca 0.11 -3.61 -0.13 0.00 -0.00 0.00 0.00 57.72 54.09 3iaq n HIS 391 Cb 0.47 -0.38 -0.03 0.00 -0.00 0.00 0.00 29.99 30.05 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 -3.10 -0.55 0.22 4.41 -0.85 -0.35 -4.24 117.35 112.89 3iaq s TYR 392 Ca 0.43 0.53 -0.31 0.00 -0.52 0.00 0.00 57.07 57.20 3iaq s TYR 392 Cb 0.35 0.52 -0.11 0.00 0.38 0.00 0.00 41.96 43.10 3iaq s TYR 392 CO -0.10 -0.75 1.59 -2.14 -1.52 0.00 0.00 175.55 172.63 3iaq s PRO 393 N -2.97 4.18 0.72 -3.49 0.02 -0.93 -4.56 135.00 127.98 3iaq s PRO 393 Ca -0.02 2.46 -0.09 0.00 0.02 0.00 0.00 61.00 63.37 3iaq s PRO 393 Cb -0.01 -3.10 0.05 0.00 0.02 0.00 0.00 34.50 31.47 3iaq s PRO 393 CO -0.06 -0.62 1.06 -0.80 -0.33 0.00 0.00 177.00 176.25 3iaq s ASN 394 N 0.87 4.90 0.07 2.53 -0.87 -1.26 -4.75 114.94 116.43 3iaq s ASN 394 Ca 0.68 0.68 -0.37 0.00 -1.57 0.00 0.00 52.86 52.28 3iaq s ASN 394 Cb -0.46 -1.35 -0.17 0.00 -0.02 0.00 0.00 41.25 39.25 3iaq s ASN 394 CO 0.37 -1.59 1.27 1.57 -2.57 0.00 0.00 177.10 176.15 3iaq n HIS 395 N -3.02 1.30 -0.33 2.20 -0.00 -1.26 -4.84 115.22 109.26 3iaq n HIS 395 Ca 0.07 0.74 0.22 0.00 0.46 0.00 0.00 57.72 59.21 3iaq n HIS 395 Cb 0.60 -2.27 0.48 0.00 -0.12 0.00 0.00 29.99 28.67 3iaq n HIS 395 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3iaq h PRO 396 N 4.16 0.43 0.00 1.57 0.13 -1.95 -0.40 132.00 135.93 3iaq h PRO 396 Ca -0.48 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.56 3iaq h PRO 396 Cb 1.36 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 3iaq h PRO 396 CO 0.75 0.28 -0.27 1.25 -0.23 0.00 0.00 178.00 179.78 3iaq h LEU 397 N 0.44 0.00 -1.24 1.56 5.85 -2.01 -3.04 115.31 116.87 3iaq h LEU 397 Ca 0.62 0.00 0.11 0.00 0.84 0.00 0.00 57.88 59.45 3iaq h LEU 397 Cb 1.46 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.43 3iaq h LEU 397 CO -0.36 0.27 0.56 -0.25 -0.34 0.00 0.00 178.44 178.33 3iaq h TRP 398 N 0.00 0.89 -0.17 1.25 2.91 -1.41 -0.65 115.95 118.77 3iaq h TRP 398 Ca -0.00 0.02 -0.20 0.00 1.13 0.00 0.00 58.89 59.84 3iaq h TRP 398 Cb 0.51 -0.29 0.01 0.00 -0.51 0.00 0.00 29.16 28.88 3iaq h TRP 398 CO 0.00 0.39 -0.68 1.88 -1.03 0.00 0.00 178.44 179.00 3iaq h TYR 399 N 0.81 1.01 -0.19 2.65 -1.99 -1.69 -2.27 116.97 115.31 3iaq h TYR 399 Ca 0.41 -0.43 0.05 0.00 2.00 0.00 0.00 58.73 60.77 3iaq h TYR 399 Cb 0.49 -0.16 -0.06 0.00 2.00 0.00 0.00 36.73 38.99 3iaq h TYR 399 CO -0.00 1.25 -0.22 1.15 -0.00 0.00 0.00 178.16 180.34 3iaq h THR 400 N 0.48 0.45 -0.63 -2.88 2.02 -1.36 0.22 112.91 111.20 3iaq h THR 400 Ca -0.04 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.15 3iaq h THR 400 Cb 1.31 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 3iaq h THR 400 CO 0.14 0.00 0.42 -0.07 0.37 0.00 0.00 175.52 176.38 3iaq h LEU 401 N -0.25 0.71 -0.91 2.58 3.38 -1.13 -2.41 115.31 117.28 3iaq h LEU 401 Ca 0.12 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3iaq h LEU 401 Cb 0.43 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3iaq h LEU 401 CO -0.33 0.51 0.00 0.00 0.09 0.00 0.00 178.44 178.71 3iaq h ASP 403 N 0.75 0.58 0.17 0.00 3.32 -0.53 -1.48 116.42 119.24 3iaq h ASP 403 Ca 0.15 0.06 -0.36 0.00 0.02 0.00 0.00 57.03 56.90 3iaq h ASP 403 Cb 0.45 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 3iaq h ASP 403 CO 0.02 0.32 -1.96 0.54 -1.72 0.00 0.00 179.24 176.44 3iaq n ARG 404 N -4.80 0.74 0.05 3.56 1.74 -0.90 -4.31 116.66 112.74 3iaq n ARG 404 Ca 0.13 0.27 -0.20 0.00 -0.77 0.00 0.00 57.85 57.28 3iaq n ARG 404 Cb 0.29 -1.72 -0.14 0.00 -1.02 0.00 0.00 32.46 29.87 3iaq n ARG 404 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 3iaq h TYR 405 N 0.06 0.59 0.00 -1.55 0.05 -0.75 -3.45 116.97 111.92 3iaq h TYR 405 Ca -0.41 -0.41 0.00 0.00 0.05 0.00 0.00 58.73 57.96 3iaq h TYR 405 Cb 2.03 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 39.74 3iaq h TYR 405 CO 0.07 1.30 0.00 0.41 -1.05 0.00 0.00 178.16 178.88 3iaq n GLY 406 N 1.55 0.79 2.91 3.88 0.00 -0.59 -4.72 105.19 109.00 3iaq n GLY 406 Ca -0.13 -0.62 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 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 1.52 0.03 0.99 1.43 -0.99 -4.62 118.68 117.04 3iaq s LEU 407 Ca 0.00 -0.11 -0.30 0.00 -1.03 0.00 0.00 54.13 52.68 3iaq s LEU 407 Cb 0.00 -0.39 -0.06 0.00 0.03 0.00 0.00 46.19 45.77 3iaq s LEU 407 CO 0.00 -0.02 1.32 -0.31 0.23 0.00 0.00 176.35 177.58 3iaq s TYR 408 N 0.60 3.11 -0.11 0.29 2.02 0.97 -4.74 117.35 119.49 3iaq s TYR 408 Ca -0.08 1.01 0.02 0.00 -0.37 0.00 0.00 57.07 57.65 3iaq s TYR 408 Cb -0.11 -3.58 -0.01 0.00 -0.40 0.00 0.00 41.96 37.86 3iaq s TYR 408 CO -0.00 -2.01 -0.17 0.08 -1.57 0.00 0.00 175.55 171.88 3iaq s VAL 409 N 1.83 2.72 -0.30 0.71 1.01 0.26 0.06 120.40 126.69 3iaq s VAL 409 Ca 0.62 -0.79 -0.14 0.00 0.00 0.00 0.00 61.98 61.67 3iaq s VAL 409 Cb -0.31 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 3iaq s VAL 409 CO 0.27 0.54 0.30 -0.69 0.00 0.00 0.00 175.10 175.52 3iaq s VAL 410 N 0.18 5.23 -0.27 2.92 1.01 -0.33 -1.51 120.40 127.63 3iaq s VAL 410 Ca -0.10 0.21 -0.13 0.00 0.00 0.00 0.00 61.98 61.96 3iaq s VAL 410 Cb -0.16 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 3iaq s VAL 410 CO 0.06 0.09 0.27 -0.62 0.00 0.00 0.00 175.10 174.90 3iaq s ASP 411 N 1.71 6.13 -0.14 3.32 2.15 -0.46 -1.36 116.67 128.03 3iaq s ASP 411 Ca 0.11 0.13 0.01 0.00 0.43 0.00 0.00 52.55 53.23 3iaq s ASP 411 Cb -0.16 -2.16 0.02 0.00 -0.30 0.00 0.00 42.92 40.32 3iaq s ASP 411 CO 0.11 -0.10 -0.17 -0.70 -0.17 0.00 0.00 175.17 174.14 3iaq s GLU 412 N 1.84 2.52 0.54 4.34 2.12 -1.26 -0.38 118.70 128.41 3iaq s GLU 412 Ca 0.10 -0.66 -0.22 0.00 0.36 0.00 0.00 54.97 54.56 3iaq s GLU 412 Cb -0.16 -2.18 -0.06 0.00 0.26 0.00 0.00 34.13 32.00 3iaq s GLU 412 CO 0.10 -0.14 1.28 0.00 -0.54 0.00 0.00 175.26 175.97 3iaq n ALA 413 N 4.45 1.30 -1.53 6.30 0.00 -0.27 -2.19 120.51 128.57 3iaq n ALA 413 Ca -0.19 0.13 -0.42 0.00 0.00 0.00 0.00 53.44 52.96 3iaq n ALA 413 Cb 0.51 -2.30 -0.03 0.00 0.00 0.00 0.00 19.45 17.63 3iaq n ALA 413 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3iaq n ASN 414 N -0.79 3.32 -3.66 0.00 5.15 -1.26 -4.02 115.26 114.00 3iaq n ASN 414 Ca 0.10 -2.77 -0.28 0.00 -0.60 0.00 0.00 54.58 51.03 3iaq n ASN 414 Cb 0.44 -1.43 -0.16 0.00 -0.53 0.00 0.00 39.78 38.10 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 4.25 0.33 -0.09 -1.44 1.01 -1.25 -4.74 121.20 119.27 3iaq s ILE 415 Ca 0.52 -0.74 -0.02 0.00 0.00 0.00 0.00 60.65 60.41 3iaq s ILE 415 Cb 0.13 -1.08 0.04 0.00 0.01 0.00 0.00 42.46 41.56 3iaq s ILE 415 CO 0.01 -0.47 0.03 -0.69 0.00 0.00 0.00 174.94 173.82 3iaq s VAL 416 N 1.92 0.19 -0.39 2.92 1.01 -0.30 -1.48 120.40 124.26 3iaq s VAL 416 Ca 0.05 0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.21 3iaq s VAL 416 Cb -0.17 -0.48 0.44 0.00 0.00 0.00 0.00 36.38 36.16 3iaq s VAL 416 CO -0.20 0.11 1.09 0.35 0.00 0.00 0.00 175.10 176.44 3iaq n THR 417 N 5.20 2.08 -0.15 3.92 -2.24 -1.05 -0.86 114.28 121.17 3iaq n THR 417 Ca -0.06 -4.41 0.04 0.00 -2.27 0.00 0.00 64.05 57.35 3iaq n THR 417 Cb 0.50 -0.78 0.34 0.00 -2.10 0.00 0.00 70.33 68.29 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 2.62 0.75 0.00 4.78 2.76 -1.57 -2.93 115.15 121.57 3iaq h HIS 418 Ca 0.21 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.40 3iaq h HIS 418 Cb 1.05 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.76 3iaq h HIS 418 CO 0.75 0.44 -0.13 0.41 -1.30 0.00 0.00 177.93 178.10 3iaq n GLY 419 N -1.45 -1.46 3.75 5.26 0.00 -1.19 -4.83 105.19 105.27 3iaq n GLY 419 Ca 0.08 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 -3.01 2.79 -0.22 1.61 1.00 -1.11 -4.81 119.30 115.55 3iaq s MET 420 Ca 0.13 1.73 0.01 0.00 0.00 0.00 0.00 55.69 57.56 3iaq s MET 420 Cb 0.18 -1.92 0.05 0.00 0.00 0.00 0.00 34.83 33.14 3iaq s MET 420 CO 0.58 -1.33 -0.08 0.08 0.00 0.00 0.00 175.02 174.27 3iaq s VAL 421 N -1.81 1.60 1.17 -6.03 1.01 -1.26 -3.16 120.40 111.92 3iaq s VAL 421 Ca 0.75 -1.12 -0.20 0.00 0.00 0.00 0.00 61.98 61.42 3iaq s VAL 421 Cb -0.28 -1.76 0.28 0.00 0.00 0.00 0.00 36.38 34.62 3iaq s VAL 421 CO 0.37 0.04 1.19 -2.16 0.00 0.00 0.00 175.10 174.54 3iaq s PRO 422 N 1.39 -0.99 0.54 2.72 0.04 -1.26 -4.86 135.00 132.58 3iaq s PRO 422 Ca -0.04 -0.32 0.21 0.00 0.04 0.00 0.00 61.00 60.89 3iaq s PRO 422 Cb -0.17 -1.65 1.44 0.00 0.04 0.00 0.00 34.50 34.16 3iaq s PRO 422 CO -0.07 -3.52 2.17 1.98 0.04 0.00 0.00 177.00 177.60 3iaq h MET 423 N -2.43 0.00 -0.63 4.56 4.05 -1.86 -2.76 114.93 115.86 3iaq h MET 423 Ca -0.43 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.99 3iaq h MET 423 Cb 1.26 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.06 3iaq h MET 423 CO 0.29 0.00 0.00 0.27 0.23 0.00 0.00 176.91 177.70 3iaq n ASN 424 N -4.31 3.85 -0.31 1.39 6.94 -1.26 -3.59 115.26 117.96 3iaq n ASN 424 Ca -0.02 -2.28 0.05 0.00 -0.02 0.00 0.00 54.58 52.30 3iaq n ASN 424 Cb 0.12 -0.50 0.19 0.00 -2.36 0.00 0.00 39.78 37.24 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 3.43 0.81 0.15 -3.83 2.43 -1.80 0.23 114.38 115.81 3iaq h ARG 425 Ca 0.00 -0.05 -0.27 0.00 -0.81 0.00 0.00 59.98 58.85 3iaq h ARG 425 Cb 1.15 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 30.53 3iaq h ARG 425 CO 0.15 0.54 -1.33 -0.07 -1.51 0.00 0.00 179.97 177.75 3iaq h LEU 426 N 0.84 0.51 -0.73 3.80 3.38 -1.87 -3.25 115.31 117.99 3iaq h LEU 426 Ca 0.43 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3iaq h LEU 426 Cb 0.43 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3iaq h LEU 426 CO -0.26 1.60 0.00 0.71 0.09 0.00 0.00 178.44 180.58 3iaq h THR 427 N -0.19 0.00 0.00 0.22 1.35 -1.68 0.21 112.91 112.82 3iaq h THR 427 Ca -0.26 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 3iaq h THR 427 Cb 1.84 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 3iaq h THR 427 CO 0.13 0.00 -0.95 -0.67 -0.25 0.00 0.00 175.52 173.78 3iaq n ASP 428 N -2.39 0.63 -4.63 5.36 2.03 0.76 -1.97 116.55 116.34 3iaq n ASP 428 Ca 0.02 -0.24 -0.43 0.00 0.52 0.00 0.00 54.79 54.67 3iaq n ASP 428 Cb 0.27 0.71 -0.03 0.00 -0.72 0.00 0.00 41.12 41.35 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 -3.80 6.87 0.43 1.67 -1.08 0.06 -4.62 116.67 116.19 3iaq s ASP 429 Ca 0.05 0.95 0.30 0.00 -0.52 0.00 0.00 52.55 53.32 3iaq s ASP 429 Cb 0.15 -2.51 1.43 0.00 -1.46 0.00 0.00 42.92 40.52 3iaq s ASP 429 CO 0.79 -0.84 1.90 1.55 0.52 0.00 0.00 175.17 179.10 3iaq h PRO 430 N 8.13 0.00 0.00 4.34 0.13 -1.90 -1.58 132.00 141.12 3iaq h PRO 430 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 3iaq h PRO 430 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3iaq h PRO 430 CO 1.00 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.31 3iaq n ARG 431 N -2.62 0.45 0.00 0.86 1.74 -1.26 -2.66 116.66 113.17 3iaq n ARG 431 Ca -0.00 0.02 0.07 0.00 -0.77 0.00 0.00 57.85 57.17 3iaq n ARG 431 Cb 0.16 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 30.15 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 -1.25 0.00 -0.05 -1.55 7.02 -0.59 -4.67 117.44 116.34 3iaq n TRP 432 Ca 0.14 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.52 3iaq n TRP 432 Cb 0.21 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.06 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 2.70 0.24 -0.07 -0.99 5.85 -1.56 -2.42 115.31 119.06 3iaq h LEU 433 Ca 0.00 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.72 3iaq h LEU 433 Cb 0.59 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 3iaq h LEU 433 CO 0.00 0.20 -0.44 -0.65 -0.34 0.00 0.00 178.44 177.21 3iaq h PRO 434 N 0.26 -0.53 -0.98 5.25 0.11 -1.83 0.53 132.00 134.81 3iaq h PRO 434 Ca 0.07 0.04 0.10 0.00 0.11 0.00 0.00 66.00 66.32 3iaq h PRO 434 Cb -0.00 0.12 -0.08 0.00 0.11 0.00 0.00 31.00 31.15 3iaq h PRO 434 CO -0.01 -0.35 0.62 0.00 -0.21 0.00 0.00 178.00 178.05 3iaq h ALA 435 N -0.01 1.54 -0.23 -0.75 0.00 -1.73 -1.37 119.26 116.71 3iaq h ALA 435 Ca 0.06 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 3iaq h ALA 435 Cb 0.65 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3iaq h ALA 435 CO -0.36 0.25 -0.33 0.52 0.00 0.00 0.00 179.25 179.33 3iaq h MET 436 N 1.00 0.63 -0.28 0.00 2.86 -1.09 -3.24 114.93 114.80 3iaq h MET 436 Ca 0.46 -0.37 0.03 0.00 -2.06 0.00 0.00 59.70 57.76 3iaq h MET 436 Cb 0.42 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 3iaq h MET 436 CO -0.22 0.98 0.11 0.66 1.06 0.00 0.00 176.91 179.50 3iaq h SER 437 N 0.33 0.14 -0.15 1.22 4.64 0.11 -1.29 113.55 118.54 3iaq h SER 437 Ca 0.02 0.02 0.04 0.00 -0.47 0.00 0.00 61.79 61.41 3iaq h SER 437 Cb 0.91 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.00 3iaq h SER 437 CO 0.08 0.11 0.12 -0.33 -0.87 0.00 0.00 176.83 175.94 3iaq h GLU 438 N 0.24 0.00 0.00 4.77 5.08 -1.46 0.40 114.58 123.61 3iaq h GLU 438 Ca 0.12 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.39 3iaq h GLU 438 Cb 0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3iaq h GLU 438 CO -0.11 0.00 -0.43 0.00 -1.00 0.00 0.00 179.01 177.47 3iaq h ARG 439 N 0.00 0.00 0.00 2.33 3.08 -1.27 -2.18 114.38 116.34 3iaq h ARG 439 Ca 0.07 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.95 3iaq h ARG 439 Cb 0.31 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 3iaq h ARG 439 CO -0.00 0.43 -0.96 0.28 -1.07 0.00 0.00 179.97 178.65 3iaq h VAL 440 N 0.00 0.99 -0.63 2.04 2.07 -0.91 -3.38 116.25 116.43 3iaq h VAL 440 Ca -0.00 -2.11 -0.02 0.00 0.82 0.00 0.00 66.70 65.39 3iaq h VAL 440 Cb 1.12 2.24 -0.03 0.00 -1.52 0.00 0.00 31.29 33.10 3iaq h VAL 440 CO 0.06 0.34 0.32 0.71 0.02 0.00 0.00 177.57 179.01 3iaq h THR 441 N -1.00 1.21 0.00 2.57 1.35 -0.32 -2.02 112.91 114.71 3iaq h THR 441 Ca -0.26 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.02 3iaq h THR 441 Cb 1.17 0.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 3iaq h THR 441 CO -0.16 0.24 0.00 0.54 -0.25 0.00 0.00 175.52 175.90 3iaq n ARG 442 N -4.51 0.21 -0.02 4.72 1.74 -0.82 -1.63 116.66 116.35 3iaq n ARG 442 Ca 0.04 0.28 -0.16 0.00 -0.77 0.00 0.00 57.85 57.24 3iaq n ARG 442 Cb 0.11 -1.79 -0.13 0.00 -1.02 0.00 0.00 32.46 29.63 3iaq n ARG 442 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 3iaq h MET 443 N 0.00 0.13 -0.27 5.56 4.05 -1.58 -3.14 114.93 119.68 3iaq h MET 443 Ca 0.00 -0.19 -0.00 0.00 -0.28 0.00 0.00 59.70 59.22 3iaq h MET 443 Cb 0.56 0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.42 3iaq h MET 443 CO 0.00 1.05 0.16 0.28 0.23 0.00 0.00 176.91 178.63 3iaq h VAL 444 N -0.70 1.10 -0.93 -5.77 2.07 -1.23 -0.67 116.25 110.13 3iaq h VAL 444 Ca -0.05 -0.24 0.10 0.00 0.82 0.00 0.00 66.70 67.33 3iaq h VAL 444 Cb 1.19 0.78 -0.07 0.00 -1.52 0.00 0.00 31.29 31.68 3iaq h VAL 444 CO 0.06 0.10 0.60 1.56 0.02 0.00 0.00 177.57 179.90 3iaq h GLN 445 N 0.33 0.92 0.19 1.57 4.20 -1.47 -1.57 115.11 119.28 3iaq h GLN 445 Ca 0.09 -0.06 -0.31 0.00 0.06 0.00 0.00 58.65 58.44 3iaq h GLN 445 Cb 0.02 -0.21 0.03 0.00 0.30 0.00 0.00 27.48 27.62 3iaq h GLN 445 CO -0.02 0.61 -1.36 -0.09 -0.67 0.00 0.00 178.83 177.30 3iaq h ARG 446 N 0.95 0.50 -0.01 1.46 2.43 -1.43 -3.00 114.38 115.28 3iaq h ARG 446 Ca 0.43 -0.79 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 3iaq h ARG 446 Cb 0.39 0.28 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 3iaq h ARG 446 CO -0.19 1.37 -0.31 -0.25 -1.51 0.00 0.00 179.97 179.08 3iaq n ASP 447 N -3.70 1.19 0.33 -3.80 8.00 -0.29 -4.17 116.55 114.12 3iaq n ASP 447 Ca -0.14 -1.10 0.21 0.00 0.71 0.00 0.00 54.79 54.47 3iaq n ASP 447 Cb 1.05 0.57 1.12 0.00 -0.02 0.00 0.00 41.12 43.84 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 1.08 0.00 0.00 -1.24 0.11 -1.49 -1.98 114.38 110.85 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 0.38 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.46 3iaq h ARG 448 CO 0.00 0.00 -0.28 0.09 0.10 0.00 0.00 179.97 179.89 3iaq n ASN 449 N -3.24 0.42 -4.66 0.08 3.02 -1.26 -4.85 115.26 104.76 3iaq n ASN 449 Ca -0.03 0.21 -0.43 0.00 -0.03 0.00 0.00 54.58 54.30 3iaq n ASN 449 Cb 0.09 -0.19 -0.02 0.00 -0.61 0.00 0.00 39.78 39.05 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 -3.05 2.91 0.33 3.10 3.76 -0.75 -4.86 115.29 116.73 3iaq s HIS 450 Ca 0.11 1.05 0.01 0.00 -0.15 0.00 0.00 55.06 56.08 3iaq s HIS 450 Cb 0.16 -3.48 0.57 0.00 1.11 0.00 0.00 32.58 30.94 3iaq s HIS 450 CO 0.63 -1.61 1.99 -1.00 -0.85 0.00 0.00 174.74 173.91 3iaq h PRO 451 N 8.08 0.91 -0.69 8.40 0.13 -1.87 -3.03 132.00 143.93 3iaq h PRO 451 Ca -0.27 -0.06 0.11 0.00 -0.87 0.00 0.00 66.00 64.91 3iaq h PRO 451 Cb 1.11 -0.20 -0.04 0.00 0.13 0.00 0.00 31.00 31.99 3iaq h PRO 451 CO 0.96 0.61 0.46 0.66 -0.23 0.00 0.00 178.00 180.46 3iaq h SER 452 N 0.93 0.46 -2.92 1.44 4.64 -1.88 -3.38 113.55 112.84 3iaq h SER 452 Ca 0.25 0.01 -0.57 0.00 -0.47 0.00 0.00 61.79 61.01 3iaq h SER 452 Cb -0.09 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 61.88 3iaq h SER 452 CO -0.05 0.27 1.17 -0.69 -0.87 0.00 0.00 176.83 176.65 3iaq s VAL 453 N -5.48 3.69 -0.09 0.95 1.01 -1.15 -0.57 120.40 118.76 3iaq s VAL 453 Ca -0.08 0.72 0.13 0.00 0.00 0.00 0.00 61.98 62.74 3iaq s VAL 453 Cb 0.20 -3.87 -0.18 0.00 0.00 0.00 0.00 36.38 32.53 3iaq s VAL 453 CO 0.76 -0.51 0.13 2.30 0.00 0.00 0.00 175.10 177.78 3iaq n ILE 454 N 7.08 0.60 -4.17 2.22 -5.35 -0.57 -4.93 119.36 114.24 3iaq n ILE 454 Ca 0.20 -0.48 -0.17 0.00 -0.27 0.00 0.00 62.75 62.02 3iaq n ILE 454 Cb 0.47 -0.37 -0.15 0.00 -1.74 0.00 0.00 39.64 37.84 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 -2.54 0.47 0.23 7.28 1.01 -1.21 -3.95 121.20 122.49 3iaq s ILE 455 Ca -0.06 -0.19 -0.07 0.00 0.00 0.00 0.00 60.65 60.33 3iaq s ILE 455 Cb 0.06 -0.43 -0.06 0.00 0.01 0.00 0.00 42.46 42.03 3iaq s ILE 455 CO 0.56 0.16 0.51 0.26 0.00 0.00 0.00 174.94 176.42 3iaq s TRP 456 N 0.23 3.46 -0.02 3.97 0.52 -0.68 -1.35 118.94 125.06 3iaq s TRP 456 Ca -0.02 0.70 0.03 0.00 0.02 0.00 0.00 56.10 56.82 3iaq s TRP 456 Cb -0.07 -2.13 0.00 0.00 -1.15 0.00 0.00 33.47 30.12 3iaq s TRP 456 CO -0.00 0.27 -0.09 0.45 0.02 0.00 0.00 176.95 177.60 3iaq s SER 457 N -2.69 1.18 0.00 2.95 0.15 0.49 -1.19 113.70 114.59 3iaq s SER 457 Ca 0.44 -0.18 0.08 0.00 0.70 0.00 0.00 55.95 57.00 3iaq s SER 457 Cb -0.11 -0.28 0.40 0.00 -1.71 0.00 0.00 66.02 64.32 3iaq s SER 457 CO 0.25 0.07 1.27 0.18 1.20 0.00 0.00 173.24 176.22 3iaq n LEU 458 N 3.20 0.48 0.00 3.45 4.77 -1.14 -1.11 117.00 126.66 3iaq n LEU 458 Ca -0.17 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 3iaq n LEU 458 Cb 0.55 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3iaq n LEU 458 CO 0.25 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3iaq n GLY 459 N 0.73 0.26 3.21 -0.72 0.00 -1.26 -4.70 105.19 102.71 3iaq n GLY 459 Ca 0.07 -2.19 -0.13 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.32 -1.20 1.61 2.47 -0.55 -4.69 114.94 108.27 3iaq s ASN 460 Ca 0.00 0.58 -0.30 0.00 0.42 0.00 0.00 52.86 53.56 3iaq s ASN 460 Cb 0.00 0.62 0.03 0.00 -1.45 0.00 0.00 41.25 40.45 3iaq s ASN 460 CO 0.00 -0.15 0.70 -0.62 -3.72 0.00 0.00 177.10 173.32 3iaq n GLU 461 N 2.74 -0.55 -1.03 0.43 1.02 -1.26 -4.00 120.64 118.00 3iaq n GLU 461 Ca -0.14 0.18 0.05 0.00 -0.02 0.00 0.00 57.16 57.23 3iaq n GLU 461 Cb 0.58 -3.00 0.12 0.00 -0.02 0.00 0.00 31.44 29.12 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 -2.32 1.43 0.00 1.62 7.64 -1.26 -1.74 113.62 118.99 3iaq n SER 462 Ca -0.11 -3.06 0.00 0.00 1.01 0.00 0.00 58.87 56.71 3iaq n SER 462 Cb 0.57 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 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 -0.40 0.99 2.91 0.23 0.00 -1.24 -4.05 105.19 103.64 3iaq n GLY 463 Ca 0.13 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 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 1.85 0.31 1.61 2.46 -1.26 -3.33 115.29 116.93 3iaq s HIS 464 Ca 0.00 -1.18 0.11 0.00 0.47 0.00 0.00 55.06 54.45 3iaq s HIS 464 Cb 0.00 -1.38 -0.06 0.00 -0.13 0.00 0.00 32.58 31.01 3iaq s HIS 464 CO 0.00 -0.64 -0.14 0.20 -2.47 0.00 0.00 174.74 171.69 3iaq s GLY 465 N 1.58 2.03 0.40 1.59 0.00 -1.26 -4.82 107.32 106.84 3iaq s GLY 465 Ca 0.00 -1.98 0.15 0.00 0.00 0.00 0.00 44.72 42.89 3iaq s GLY 465 CO -0.08 -1.99 1.84 0.00 0.00 0.00 0.00 173.10 172.87 3iaq h ALA 466 N 2.15 2.10 -0.81 3.20 0.00 -1.80 -0.33 119.26 123.77 3iaq h ALA 466 Ca -0.41 0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.60 3iaq h ALA 466 Cb 1.25 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 3iaq h ALA 466 CO 0.65 -0.41 0.53 -0.91 0.00 0.00 0.00 179.25 179.12 3iaq h ASN 467 N 0.48 0.77 -0.26 0.00 2.35 -1.70 -1.29 115.58 115.93 3iaq h ASN 467 Ca 0.49 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.24 3iaq h ASN 467 Cb 1.12 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.32 3iaq h ASN 467 CO -0.22 0.49 0.13 0.45 -1.65 0.00 0.00 177.43 176.63 3iaq h HIS 468 N 0.87 0.36 -0.32 1.19 3.86 -1.24 -1.17 115.15 118.70 3iaq h HIS 468 Ca 0.35 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.56 3iaq h HIS 468 Cb 0.26 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 3iaq h HIS 468 CO -0.00 0.32 0.20 -0.44 0.86 0.00 0.00 177.93 178.87 3iaq h ASP 469 N 0.29 0.33 -0.44 2.45 3.32 -1.35 0.31 116.42 121.33 3iaq h ASP 469 Ca 0.09 -0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.19 3iaq h ASP 469 Cb 0.09 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.52 3iaq h ASP 469 CO -0.01 0.24 0.16 0.00 -1.72 0.00 0.00 179.24 177.91 3iaq h ALA 470 N 1.13 0.52 -0.02 3.45 0.00 -1.13 -2.18 119.26 121.04 3iaq h ALA 470 Ca 0.12 0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.89 3iaq h ALA 470 Cb -0.02 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3iaq h ALA 470 CO -0.05 -0.22 -0.82 -0.07 0.00 0.00 0.00 179.25 178.10 3iaq h LEU 471 N 0.34 0.30 -0.40 0.00 3.38 -0.92 -2.37 115.31 115.63 3iaq h LEU 471 Ca 0.20 -0.22 0.08 0.00 0.09 0.00 0.00 57.88 58.03 3iaq h LEU 471 Cb 0.18 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.76 3iaq h LEU 471 CO -0.20 0.99 -0.12 0.22 0.09 0.00 0.00 178.44 179.42 3iaq h TYR 472 N 0.14 -0.27 -0.34 1.13 3.20 -0.16 -2.53 116.97 118.14 3iaq h TYR 472 Ca -0.04 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.76 3iaq h TYR 472 Cb 1.42 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.85 3iaq h TYR 472 CO 0.03 -0.20 -0.24 -0.09 -1.64 0.00 0.00 178.16 176.02 3iaq h ARG 473 N -0.03 0.68 -0.05 1.82 9.65 -1.22 -2.71 114.38 122.52 3iaq h ARG 473 Ca 0.19 -0.27 0.04 0.00 -1.10 0.00 0.00 59.98 58.84 3iaq h ARG 473 Cb 0.32 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.82 3iaq h ARG 473 CO -0.43 0.86 -0.27 2.35 2.80 0.00 0.00 179.97 185.28 3iaq h TRP 474 N 0.59 -0.73 -0.59 2.20 7.01 -1.03 0.29 115.95 123.69 3iaq h TRP 474 Ca 0.08 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.09 3iaq h TRP 474 Cb 0.72 0.33 -0.03 0.00 -2.10 0.00 0.00 29.16 28.09 3iaq h TRP 474 CO 0.03 -0.36 0.28 0.82 -2.79 0.00 0.00 178.44 176.43 3iaq h ILE 475 N -0.39 1.21 -0.32 2.65 2.04 -1.39 0.26 117.51 121.57 3iaq h ILE 475 Ca 0.08 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 3iaq h ILE 475 Cb 0.50 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 3iaq h ILE 475 CO -0.27 0.24 0.14 0.11 0.00 0.00 0.00 178.15 178.37 3iaq h LYS 476 N 0.80 0.44 0.01 2.37 1.79 -1.22 0.54 116.57 121.29 3iaq h LYS 476 Ca 0.20 -0.05 -0.15 0.00 -2.18 0.00 0.00 60.65 58.47 3iaq h LYS 476 Cb 0.12 -0.09 0.01 0.00 -1.58 0.00 0.00 32.23 30.69 3iaq h LYS 476 CO -0.03 0.36 -0.61 1.03 -1.08 0.00 0.00 179.45 179.13 3iaq h SER 477 N 0.45 0.52 0.00 0.86 0.87 -0.21 -3.34 113.55 112.70 3iaq h SER 477 Ca 0.11 -0.77 -0.12 0.00 -1.23 0.00 0.00 61.79 59.78 3iaq h SER 477 Cb 0.07 -0.16 0.01 0.00 -0.44 0.00 0.00 62.40 61.88 3iaq h SER 477 CO -0.01 1.23 -0.48 0.58 -0.53 0.00 0.00 176.83 177.61 3iaq h VAL 478 N -0.13 1.48 -2.99 2.23 2.07 -0.14 -3.42 116.25 115.34 3iaq h VAL 478 Ca -0.08 -2.05 -0.59 0.00 0.82 0.00 0.00 66.70 64.80 3iaq h VAL 478 Cb 1.33 2.69 -0.40 0.00 -1.52 0.00 0.00 31.29 33.39 3iaq h VAL 478 CO 0.12 0.58 -0.76 -0.62 0.02 0.00 0.00 177.57 176.91 3iaq s ASP 479 N -6.60 3.70 0.00 0.57 2.15 0.19 -4.98 116.67 111.70 3iaq s ASP 479 Ca -0.14 -2.06 0.30 0.00 0.43 0.00 0.00 52.55 51.08 3iaq s ASP 479 Cb 0.02 -0.83 1.58 0.00 -0.30 0.00 0.00 42.92 43.39 3iaq s ASP 479 CO 0.79 -0.35 2.05 -0.81 -0.17 0.00 0.00 175.17 176.69 3iaq n PRO 480 N 4.27 0.91 0.12 4.34 -0.05 -1.25 -3.81 135.00 139.53 3iaq n PRO 480 Ca 0.04 -0.18 0.13 0.00 -0.05 0.00 0.00 63.50 63.44 3iaq n PRO 480 Cb 0.38 -1.50 0.45 0.00 -0.05 0.00 0.00 33.50 32.78 3iaq n PRO 480 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 175.50 174.32 3iaq n SER 481 N -0.89 0.76 -4.01 3.54 3.41 -1.26 -4.77 113.62 110.40 3iaq n SER 481 Ca 0.19 0.62 -0.22 0.00 -0.26 0.00 0.00 58.87 59.21 3iaq n SER 481 Cb 0.20 -0.81 -0.16 0.00 -0.26 0.00 0.00 64.21 63.19 3iaq n SER 481 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3iaq s ARG 482 N -3.20 1.17 0.69 4.33 0.52 -1.25 -4.08 118.95 117.12 3iaq s ARG 482 Ca 0.08 -0.33 -0.16 0.00 -0.52 0.00 0.00 55.73 54.80 3iaq s ARG 482 Cb 0.11 -1.05 0.02 0.00 0.52 0.00 0.00 34.95 34.54 3iaq s ARG 482 CO 0.51 0.09 1.18 -2.14 0.02 0.00 0.00 175.30 174.96 3iaq s PRO 483 N 0.34 2.44 -0.13 3.54 0.02 -1.25 -4.81 135.00 135.14 3iaq s PRO 483 Ca -0.06 1.68 -0.01 0.00 0.02 0.00 0.00 61.00 62.63 3iaq s PRO 483 Cb -0.11 -1.88 -0.02 0.00 0.02 0.00 0.00 34.50 32.51 3iaq s PRO 483 CO 0.01 -1.59 -0.11 0.08 -0.33 0.00 0.00 177.00 175.07 3iaq s VAL 484 N -2.01 3.28 0.26 3.83 1.01 -1.26 -1.69 120.40 123.81 3iaq s VAL 484 Ca 0.73 -0.58 0.09 0.00 0.00 0.00 0.00 61.98 62.22 3iaq s VAL 484 Cb -0.27 -2.39 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 3iaq s VAL 484 CO 0.42 0.52 -0.15 0.00 0.00 0.00 0.00 175.10 175.90 3iaq s GLN 485 N 0.26 1.53 -0.29 2.72 -2.07 -0.33 0.18 119.66 121.66 3iaq s GLN 485 Ca -0.08 -1.71 -0.18 0.00 -1.82 0.00 0.00 55.36 51.57 3iaq s GLN 485 Cb -0.15 -1.41 0.16 0.00 -1.09 0.00 0.00 33.01 30.52 3iaq s GLN 485 CO 0.05 0.21 1.10 -0.47 -1.32 0.00 0.00 175.29 174.86 3iaq s TYR 486 N -2.78 -0.38 -0.02 9.60 5.04 -1.26 -2.88 117.35 124.67 3iaq s TYR 486 Ca 0.27 0.79 -0.10 0.00 -2.44 0.00 0.00 57.07 55.60 3iaq s TYR 486 Cb -0.01 0.28 -0.31 0.00 0.35 0.00 0.00 41.96 42.27 3iaq s TYR 486 CO 0.11 -0.19 0.80 1.49 -1.34 0.00 0.00 175.55 176.42 3iaq h GLU 487 N 5.28 0.39 -6.27 4.97 4.22 -1.83 -3.43 114.58 117.90 3iaq h GLU 487 Ca -0.28 -0.66 -0.63 0.00 0.08 0.00 0.00 59.36 57.88 3iaq h GLU 487 Cb 1.18 0.25 0.12 0.00 0.50 0.00 0.00 28.75 30.79 3iaq h GLU 487 CO 0.19 1.29 -0.23 0.41 -2.18 0.00 0.00 179.01 178.49 3iaq n GLY 488 N 1.77 -1.09 2.02 1.92 0.00 -1.26 0.11 105.19 108.67 3iaq n GLY 488 Ca -0.20 0.27 -0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 1.63 0.44 0.00 -0.02 0.00 -1.21 -4.18 105.19 101.85 3iaq n GLY 489 Ca 0.13 -0.78 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 -2.91 1.54 4.18 -0.02 0.00 -1.19 -4.74 105.19 102.05 3iaq n GLY 490 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.26 0.00 -2.34 4.61 0.00 0.31 -4.64 120.51 118.20 3iaq n ALA 491 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 3iaq n ALA 491 Cb 0.00 -0.20 0.06 0.00 0.00 0.00 0.00 19.45 19.32 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 0.00 1.44 -3.70 0.00 5.68 -1.26 -2.47 116.55 116.24 3iaq n ASP 492 Ca 0.00 -2.49 -0.30 0.00 -0.50 0.00 0.00 54.79 51.49 3iaq n ASP 492 Cb 0.00 -0.38 0.24 0.00 -1.14 0.00 0.00 41.12 39.84 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 -1.49 1.65 -1.77 2.12 -4.23 -1.26 -4.92 115.64 105.74 3iaq s THR 493 Ca 0.35 0.00 0.22 0.00 -1.18 0.00 0.00 61.69 61.08 3iaq s THR 493 Cb 0.38 -2.64 0.53 0.00 1.34 0.00 0.00 72.50 72.11 3iaq s THR 493 CO -0.12 0.00 1.70 0.35 -0.54 0.00 0.00 174.62 176.01 3iaq n THR 494 N -4.60 0.14 -0.83 3.99 -2.24 -1.26 -3.38 114.28 106.11 3iaq n THR 494 Ca 0.16 0.03 0.08 0.00 -2.27 0.00 0.00 64.05 62.05 3iaq n THR 494 Cb 0.60 -0.68 0.38 0.00 -2.10 0.00 0.00 70.33 68.52 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 -1.12 3.56 -3.71 6.98 0.00 -1.26 -4.94 120.51 120.03 3iaq n ALA 495 Ca 0.14 -1.86 -0.12 0.00 0.00 0.00 0.00 53.44 51.60 3iaq n ALA 495 Cb 0.11 -1.05 -0.12 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 -2.49 -0.12 -0.71 0.00 -1.32 -1.22 -4.23 115.64 105.55 3iaq s THR 496 Ca 0.52 0.16 0.26 0.00 -1.21 0.00 0.00 61.69 61.42 3iaq s THR 496 Cb 0.38 -0.45 0.28 0.00 -1.51 0.00 0.00 72.50 71.20 3iaq s THR 496 CO 0.18 0.06 1.77 0.47 -2.21 0.00 0.00 174.62 174.90 3iaq n ASP 497 N 4.46 0.76 -4.07 8.08 8.00 0.13 -4.76 116.55 129.15 3iaq n ASP 497 Ca -0.21 0.59 -0.26 0.00 0.71 0.00 0.00 54.79 55.62 3iaq n ASP 497 Cb 0.53 -0.78 -0.16 0.00 -0.02 0.00 0.00 41.12 40.68 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 -3.13 1.29 -0.28 0.53 1.01 -1.26 -4.48 121.20 114.87 3iaq s ILE 498 Ca 0.10 -0.59 -0.29 0.00 0.00 0.00 0.00 60.65 59.87 3iaq s ILE 498 Cb 0.12 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 41.42 3iaq s ILE 498 CO 0.56 0.38 1.75 -0.63 0.00 0.00 0.00 174.94 177.01 3iaq s ILE 499 N 0.46 3.52 -0.47 2.92 1.01 -0.05 -4.62 121.20 123.97 3iaq s ILE 499 Ca -0.12 0.55 0.09 0.00 0.00 0.00 0.00 60.65 61.17 3iaq s ILE 499 Cb -0.15 -3.64 0.36 0.00 0.01 0.00 0.00 42.46 39.04 3iaq s ILE 499 CO 0.04 -0.36 0.87 0.00 0.00 0.00 0.00 174.94 175.49 3iaq s PRO 501 N -3.03 0.17 -0.17 0.00 0.04 -1.26 -3.67 135.00 127.07 3iaq s PRO 501 Ca 0.44 0.62 0.01 0.00 0.04 0.00 0.00 61.00 62.11 3iaq s PRO 501 Cb 0.33 -1.70 0.01 0.00 0.04 0.00 0.00 34.50 33.18 3iaq s PRO 501 CO -0.11 -2.93 -0.18 0.00 0.04 0.00 0.00 177.00 173.82 3iaq s MET 502 N -4.84 3.09 -1.73 4.56 0.23 -1.26 -2.13 119.30 117.21 3iaq s MET 502 Ca 0.66 -0.80 0.00 0.00 -1.03 0.00 0.00 55.69 54.52 3iaq s MET 502 Cb -0.20 -2.60 0.00 0.00 -1.53 0.00 0.00 34.83 30.50 3iaq s MET 502 CO 0.59 -0.12 0.00 0.66 -2.03 0.00 0.00 175.02 174.12 3iaq n TYR 503 N 4.40 -0.32 -1.99 3.16 4.01 0.16 -4.97 117.16 121.61 3iaq n TYR 503 Ca -0.20 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.13 3iaq n TYR 503 Cb 0.51 -3.20 -0.02 0.00 -0.31 0.00 0.00 39.34 36.31 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 -2.74 3.65 0.71 -0.72 0.00 -1.26 -4.81 121.76 116.58 3iaq s ALA 504 Ca 0.00 1.35 -0.06 0.00 0.00 0.00 0.00 51.96 53.24 3iaq s ALA 504 Cb 0.00 -3.57 0.07 0.00 0.00 0.00 0.00 23.12 19.62 3iaq s ALA 504 CO 0.00 -0.76 1.02 1.03 0.00 0.00 0.00 175.76 177.05 3iaq s ARG 505 N -0.27 2.11 -0.08 0.00 0.52 -1.26 -4.81 118.95 115.17 3iaq s ARG 505 Ca 0.60 -0.32 -0.25 0.00 -0.52 0.00 0.00 55.73 55.25 3iaq s ARG 505 Cb -0.42 -2.17 -0.20 0.00 0.52 0.00 0.00 34.95 32.67 3iaq s ARG 505 CO 0.43 -1.28 0.93 0.28 0.02 0.00 0.00 175.30 175.67 3iaq h VAL 506 N -0.62 1.32 0.00 3.52 2.07 -1.95 -2.15 116.25 118.45 3iaq h VAL 506 Ca -0.44 -1.56 -0.03 0.00 0.82 0.00 0.00 66.70 65.49 3iaq h VAL 506 Cb 1.31 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 33.38 3iaq h VAL 506 CO 0.58 0.37 -1.22 0.47 0.02 0.00 0.00 177.57 177.80 3iaq n ASP 507 N -4.79 4.06 -4.67 0.57 8.00 -1.26 -3.70 116.55 114.76 3iaq n ASP 507 Ca -0.08 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.01 3iaq n ASP 507 Cb 0.32 0.95 -0.05 0.00 -0.02 0.00 0.00 41.12 42.32 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 -2.21 4.27 0.33 -1.24 2.12 -1.26 -4.73 118.70 115.98 3iaq s GLU 508 Ca -0.02 0.79 -0.27 0.00 0.36 0.00 0.00 54.97 55.83 3iaq s GLU 508 Cb 0.02 -3.56 -0.09 0.00 0.26 0.00 0.00 34.13 30.76 3iaq s GLU 508 CO 0.17 -0.23 1.01 -0.51 -0.54 0.00 0.00 175.26 175.15 3iaq s ASP 509 N 1.13 7.20 -0.65 -1.70 1.11 -1.26 -3.63 116.67 118.86 3iaq s ASP 509 Ca 0.33 2.00 0.05 0.00 0.18 0.00 0.00 52.55 55.11 3iaq s ASP 509 Cb -0.16 -2.60 0.17 0.00 1.07 0.00 0.00 42.92 41.41 3iaq s ASP 509 CO 0.12 -0.18 0.48 0.00 1.18 0.00 0.00 175.17 176.78 3iaq n GLN 510 N 0.63 1.59 -0.72 8.23 6.02 0.52 -4.93 117.38 128.72 3iaq n GLN 510 Ca 0.02 -4.27 -0.17 0.00 -0.01 0.00 0.00 57.00 52.56 3iaq n GLN 510 Cb 0.48 -2.17 -0.05 0.00 1.02 0.00 0.00 30.24 29.52 3iaq n GLN 510 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3iaq n PRO 511 N 2.04 1.83 -1.70 -1.09 -0.04 -1.26 -0.98 135.00 133.80 3iaq n PRO 511 Ca 0.22 -1.17 -0.43 0.00 -0.04 0.00 0.00 63.50 62.09 3iaq n PRO 511 Cb 0.38 -2.22 -0.01 0.00 -0.04 0.00 0.00 33.50 31.61 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 3.59 2.34 -1.79 0.54 3.72 -1.26 -4.88 117.46 119.72 3iaq n PHE 512 Ca 0.39 0.53 -0.41 0.00 -0.05 0.00 0.00 57.45 57.91 3iaq n PHE 512 Cb 0.30 -2.43 0.00 0.00 -0.94 0.00 0.00 39.48 36.41 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 -1.73 4.00 0.00 -1.08 0.04 -1.26 -2.33 135.00 132.64 3iaq s PRO 513 Ca 0.57 2.56 0.00 0.00 0.04 0.00 0.00 61.00 64.16 3iaq s PRO 513 Cb -0.57 -2.89 0.00 0.00 0.04 0.00 0.00 34.50 31.08 3iaq s PRO 513 CO 0.61 -0.61 0.00 0.00 0.04 0.00 0.00 177.00 177.03 3iaq n ALA 514 N 0.30 0.00 -3.18 8.56 0.00 -1.26 -4.52 120.51 120.41 3iaq n ALA 514 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.24 3iaq n ALA 514 Cb 0.40 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.80 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 0.23 -1.25 0.00 0.24 -1.24 -4.86 118.33 111.45 3iaq n VAL 515 Ca 0.00 -4.57 -0.32 0.00 -2.04 0.00 0.00 64.34 57.41 3iaq n VAL 515 Cb 0.00 -1.08 0.10 0.00 -1.47 0.00 0.00 33.84 31.39 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 -2.15 1.98 -0.66 7.34 0.04 -0.99 -4.65 135.00 135.92 3iaq s PRO 516 Ca 0.39 1.51 -0.06 0.00 0.04 0.00 0.00 61.00 62.88 3iaq s PRO 516 Cb 0.27 -1.84 0.17 0.00 0.04 0.00 0.00 34.50 33.14 3iaq s PRO 516 CO -0.09 -1.91 0.51 0.15 0.04 0.00 0.00 177.00 175.71 3iaq s LYS 517 N -4.36 2.82 0.49 4.56 1.02 -0.15 -4.87 119.74 119.24 3iaq s LYS 517 Ca 0.68 -2.42 -0.21 0.00 0.02 0.00 0.00 55.97 54.04 3iaq s LYS 517 Cb -0.23 -3.93 -0.07 0.00 -0.52 0.00 0.00 37.83 33.07 3iaq s LYS 517 CO 0.50 -1.20 1.09 -1.58 -0.92 0.00 0.00 175.35 173.24 3iaq s TRP 518 N 0.17 2.90 -0.10 3.18 0.52 -1.26 -0.36 118.94 123.99 3iaq s TRP 518 Ca 0.16 1.57 -0.39 0.00 0.02 0.00 0.00 56.10 57.46 3iaq s TRP 518 Cb -0.18 -3.20 -0.17 0.00 -1.15 0.00 0.00 33.47 28.77 3iaq s TRP 518 CO -0.05 -1.17 1.49 0.45 0.02 0.00 0.00 176.95 177.69 3iaq n SER 519 N -0.89 1.77 -0.02 2.95 2.88 -1.24 -4.45 113.62 114.61 3iaq n SER 519 Ca 0.09 1.11 0.17 0.00 -1.33 0.00 0.00 58.87 58.91 3iaq n SER 519 Cb 0.51 -1.13 0.62 0.00 -0.75 0.00 0.00 64.21 63.46 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 4.13 0.80 -0.05 2.46 3.07 -1.46 0.49 117.51 126.95 3iaq h ILE 520 Ca -0.47 -0.05 -0.21 0.00 1.55 0.00 0.00 64.86 65.68 3iaq h ILE 520 Cb 1.34 0.64 -0.00 0.00 -0.27 0.00 0.00 36.82 38.53 3iaq h ILE 520 CO 0.85 0.03 -0.83 0.11 -1.05 0.00 0.00 178.15 177.25 3iaq h LYS 521 N 0.14 0.44 -0.15 0.16 1.57 -1.85 -3.09 116.57 113.80 3iaq h LYS 521 Ca 0.26 -0.41 -0.16 0.00 -1.87 0.00 0.00 60.65 58.47 3iaq h LYS 521 Cb 0.82 0.10 0.01 0.00 0.08 0.00 0.00 32.23 33.23 3iaq h LYS 521 CO -0.03 1.06 -0.51 -0.22 -0.57 0.00 0.00 179.45 179.17 3iaq h LYS 522 N 0.28 0.61 -0.67 3.15 3.64 -1.11 -3.32 116.57 119.15 3iaq h LYS 522 Ca -0.06 -0.46 0.13 0.00 -1.27 0.00 0.00 60.65 58.99 3iaq h LYS 522 Cb 1.44 0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 33.25 3iaq h LYS 522 CO 0.15 1.08 0.20 2.35 -2.27 0.00 0.00 179.45 180.95 3iaq h TRP 523 N 0.27 0.33 -0.92 1.91 2.91 -0.16 -2.18 115.95 118.11 3iaq h TRP 523 Ca -0.02 0.04 0.15 0.00 1.13 0.00 0.00 58.89 60.19 3iaq h TRP 523 Cb 1.14 -0.04 -0.10 0.00 -0.51 0.00 0.00 29.16 29.65 3iaq h TRP 523 CO 0.10 0.00 0.52 -0.07 -1.03 0.00 0.00 178.44 177.96 3iaq h LEU 524 N 0.33 0.67 -3.32 0.65 3.38 -1.64 -2.88 115.31 112.51 3iaq h LEU 524 Ca 0.36 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.41 3iaq h LEU 524 Cb 0.54 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3iaq h LEU 524 CO -0.41 0.28 0.00 -1.54 0.09 0.00 0.00 178.44 176.86 3iaq n SER 525 N -4.80 4.57 -4.73 -0.43 3.41 -0.84 -4.39 113.62 106.41 3iaq n SER 525 Ca 0.19 -2.83 -0.38 0.00 -0.26 0.00 0.00 58.87 55.59 3iaq n SER 525 Cb 0.46 -0.57 0.05 0.00 -0.26 0.00 0.00 64.21 63.89 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 0.18 5.52 -4.65 1.04 4.77 -1.09 -4.77 117.00 118.00 3iaq n LEU 526 Ca 0.23 0.92 -0.60 0.00 -0.03 0.00 0.00 56.01 56.54 3iaq n LEU 526 Cb 0.96 -1.55 -0.08 0.00 -2.33 0.00 0.00 43.42 40.42 3iaq n LEU 526 CO 0.22 -0.82 1.02 -2.65 -1.33 0.00 0.00 177.39 173.82 3iaq n PRO 527 N -1.27 0.56 -0.46 3.23 -0.02 -1.26 -0.55 135.00 135.23 3iaq n PRO 527 Ca 0.12 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 3iaq n PRO 527 Cb 0.46 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 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 3.17 1.63 3.74 -1.23 0.00 -1.26 -5.00 105.19 106.24 3iaq n GLY 528 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.09 4.73 0.00 1.61 2.56 0.29 -4.94 118.70 122.85 3iaq s GLU 529 Ca 0.00 1.52 0.00 0.00 0.00 0.00 0.00 54.97 56.49 3iaq s GLU 529 Cb 0.00 -3.32 0.00 0.00 2.00 0.00 0.00 34.13 32.81 3iaq s GLU 529 CO 0.00 0.29 0.00 0.25 -0.56 0.00 0.00 175.26 175.24 3iaq n THR 530 N 2.25 0.00 -1.68 -1.70 -2.24 -1.26 -4.72 114.28 104.93 3iaq n THR 530 Ca 0.01 -0.06 -0.34 0.00 -2.27 0.00 0.00 64.05 61.38 3iaq n THR 530 Cb 0.48 0.64 0.06 0.00 -2.10 0.00 0.00 70.33 69.41 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 -0.29 2.54 0.62 -0.78 0.52 -1.26 -4.31 118.95 115.99 3iaq s ARG 531 Ca 0.00 1.70 -0.17 0.00 -0.52 0.00 0.00 55.73 56.74 3iaq s ARG 531 Cb 0.00 -1.89 -0.02 0.00 0.52 0.00 0.00 34.95 33.56 3iaq s ARG 531 CO 0.00 -1.51 1.14 -1.25 0.02 0.00 0.00 175.30 173.70 3iaq s PRO 532 N -3.78 2.91 -0.19 3.54 0.04 -1.08 -4.78 135.00 131.67 3iaq s PRO 532 Ca 0.74 1.56 0.00 0.00 0.04 0.00 0.00 61.00 63.34 3iaq s PRO 532 Cb -0.27 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.33 3iaq s PRO 532 CO 0.41 -1.19 -0.18 -1.17 0.04 0.00 0.00 177.00 174.91 3iaq s LEU 533 N -4.47 2.25 -0.08 -3.56 0.20 -0.23 -0.87 118.68 111.92 3iaq s LEU 533 Ca 0.71 -0.63 -0.01 0.00 0.69 0.00 0.00 54.13 54.89 3iaq s LEU 533 Cb -0.24 -1.51 0.03 0.00 -0.43 0.00 0.00 46.19 44.03 3iaq s LEU 533 CO 0.36 -0.01 -0.02 -0.63 -0.29 0.00 0.00 176.35 175.76 3iaq s ILE 534 N 1.31 0.54 -0.04 6.68 1.01 -0.43 -1.19 121.20 129.08 3iaq s ILE 534 Ca 0.05 -0.01 -0.30 0.00 0.00 0.00 0.00 60.65 60.39 3iaq s ILE 534 Cb -0.13 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 3iaq s ILE 534 CO -0.12 0.28 1.31 -0.76 0.00 0.00 0.00 174.94 175.65 3iaq s LEU 535 N 1.73 4.29 0.31 2.97 1.02 -0.85 -3.98 118.68 124.17 3iaq s LEU 535 Ca 0.02 1.95 0.10 0.00 0.02 0.00 0.00 54.13 56.22 3iaq s LEU 535 Cb -0.13 -3.56 0.49 0.00 0.02 0.00 0.00 46.19 43.01 3iaq s LEU 535 CO -0.05 -0.67 1.70 0.00 0.02 0.00 0.00 176.35 177.35 3iaq s GLU 537 N -3.92 0.08 0.21 0.00 2.02 -1.23 -4.29 118.70 111.57 3iaq s GLU 537 Ca -0.03 0.50 -0.16 0.00 0.02 0.00 0.00 54.97 55.31 3iaq s GLU 537 Cb 0.13 -0.20 0.02 0.00 0.10 0.00 0.00 34.13 34.17 3iaq s GLU 537 CO 0.76 -0.24 0.52 1.52 0.02 0.00 0.00 175.26 177.83 3iaq s TYR 538 N 1.79 0.03 -0.78 1.61 1.13 -0.91 0.40 117.35 120.61 3iaq s TYR 538 Ca -0.03 -0.39 -0.01 0.00 -1.41 0.00 0.00 57.07 55.23 3iaq s TYR 538 Cb -0.12 0.34 -0.00 0.00 -1.10 0.00 0.00 41.96 41.08 3iaq s TYR 538 CO -0.06 -0.96 0.69 0.00 -2.51 0.00 0.00 175.55 172.71 3iaq n ALA 539 N -0.35 -2.58 -1.78 9.51 0.00 -1.26 -0.54 120.51 123.52 3iaq n ALA 539 Ca -0.07 -0.07 -0.39 0.00 0.00 0.00 0.00 53.44 52.91 3iaq n ALA 539 Cb 0.62 -1.53 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 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 -3.03 1.37 -0.26 0.00 2.46 -0.39 -3.79 115.29 111.66 3iaq s HIS 540 Ca 0.03 1.05 -0.04 0.00 0.47 0.00 0.00 55.06 56.57 3iaq s HIS 540 Cb -0.01 -3.86 -0.01 0.00 -0.13 0.00 0.00 32.58 28.57 3iaq s HIS 540 CO 0.79 -2.74 2.79 0.00 -2.47 0.00 0.00 174.74 173.11 3iaq n ALA 541 N 13.53 5.95 -2.62 1.58 0.00 0.46 -4.40 120.51 135.02 3iaq n ALA 541 Ca 0.29 -2.17 -0.42 0.00 0.00 0.00 0.00 53.44 51.14 3iaq n ALA 541 Cb 0.51 -1.94 -0.05 0.00 0.00 0.00 0.00 19.45 17.97 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 -0.83 3.99 4.51 0.00 0.00 -1.26 -2.74 119.30 122.96 3iaq s MET 542 Ca 0.50 0.60 0.00 0.00 0.00 0.00 0.00 55.69 56.79 3iaq s MET 542 Cb 0.30 -3.72 0.00 0.00 0.00 0.00 0.00 34.83 31.42 3iaq s MET 542 CO -0.10 -0.65 0.00 0.41 0.00 0.00 0.00 175.02 174.68 3iaq n GLY 543 N 4.17 1.53 3.56 2.11 0.00 -1.26 -4.16 105.19 111.14 3iaq n GLY 543 Ca 0.03 -0.55 -0.21 0.00 0.00 0.00 0.00 46.02 45.30 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 4.54 0.00 1.61 3.84 -1.26 -4.82 114.94 114.84 3iaq s ASN 544 Ca 0.00 -0.29 0.00 0.00 0.21 0.00 0.00 52.86 52.78 3iaq s ASN 544 Cb 0.00 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.15 3iaq s ASN 544 CO 0.00 -3.28 0.00 -0.24 -2.79 0.00 0.00 177.10 170.79 3iaq n SER 545 N 16.22 0.00 -0.86 -4.21 2.88 -1.26 -4.75 113.62 121.64 3iaq n SER 545 Ca 0.43 -0.54 -0.09 0.00 -1.33 0.00 0.00 58.87 57.34 3iaq n SER 545 Cb 0.45 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.89 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 -1.03 -4.71 2.46 7.94 -1.24 -4.80 117.00 115.62 3iaq n LEU 546 Ca 0.00 0.11 -0.42 0.00 -1.11 0.00 0.00 56.01 54.59 3iaq n LEU 546 Cb 0.00 -1.55 -0.03 0.00 0.53 0.00 0.00 43.42 42.37 3iaq n LEU 546 CO 0.00 -0.29 0.83 -0.83 -1.11 0.00 0.00 177.39 175.99 3iaq s GLY 547 N -2.75 2.53 0.00 -3.96 0.00 -0.08 -2.96 107.32 100.10 3iaq s GLY 547 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 44.72 45.48 3iaq s GLY 547 CO 0.00 1.95 0.00 0.61 0.00 0.00 0.00 173.10 175.66 3iaq n GLY 548 N 3.14 0.52 0.25 0.20 0.00 0.23 -4.08 105.19 105.44 3iaq n GLY 548 Ca 0.08 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 45.12 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 0.94 -0.09 1.61 3.57 -1.69 -3.06 116.94 118.22 3iaq h PHE 549 Ca 0.00 -0.20 0.01 0.00 3.53 0.00 0.00 57.97 61.31 3iaq h PHE 549 Cb 0.06 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.56 3iaq h PHE 549 CO 0.00 0.94 0.06 0.00 -2.23 0.00 0.00 178.31 177.08 3iaq h ALA 550 N 0.87 1.97 -0.83 2.41 0.00 -1.87 -1.55 119.26 120.26 3iaq h ALA 550 Ca 0.11 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3iaq h ALA 550 Cb 0.63 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 3iaq h ALA 550 CO 0.04 0.02 0.55 -0.22 0.00 0.00 0.00 179.25 179.63 3iaq h LYS 551 N 0.09 1.00 0.10 0.00 3.64 -1.93 -0.94 116.57 118.53 3iaq h LYS 551 Ca 0.04 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3iaq h LYS 551 Cb 0.04 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 3iaq h LYS 551 CO -0.01 0.66 -0.05 1.88 -2.27 0.00 0.00 179.45 179.66 3iaq h TYR 552 N 1.03 -0.13 0.00 1.91 0.05 -1.39 -2.95 116.97 115.48 3iaq h TYR 552 Ca 0.33 -0.00 -0.10 0.00 0.05 0.00 0.00 58.73 59.00 3iaq h TYR 552 Cb 0.04 0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 3iaq h TYR 552 CO -0.00 0.06 -0.50 -1.49 -1.05 0.00 0.00 178.16 175.18 3iaq h TRP 553 N -0.30 0.00 -0.52 4.88 4.06 -1.46 0.35 115.95 122.97 3iaq h TRP 553 Ca -0.01 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.92 3iaq h TRP 553 Cb 0.25 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.38 3iaq h TRP 553 CO -0.02 0.50 0.25 0.37 -3.56 0.00 0.00 178.44 175.98 3iaq h GLN 554 N 0.00 0.74 -0.30 0.49 -0.00 -1.23 -1.87 115.11 112.94 3iaq h GLN 554 Ca -0.00 -0.11 -0.15 0.00 -0.00 0.00 0.00 58.65 58.38 3iaq h GLN 554 Cb 0.91 -0.13 -0.00 0.00 0.00 0.00 0.00 27.48 28.26 3iaq h GLN 554 CO 0.06 0.61 -0.41 0.00 0.00 0.00 0.00 178.83 179.10 3iaq h ALA 555 N 1.09 0.46 -0.77 3.38 0.00 -1.24 -2.65 119.26 119.52 3iaq h ALA 555 Ca 0.18 -0.46 0.09 0.00 0.00 0.00 0.00 54.91 54.72 3iaq h ALA 555 Cb 0.12 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 3iaq h ALA 555 CO -0.02 0.57 0.42 0.74 0.00 0.00 0.00 179.25 180.96 3iaq h PHE 556 N 0.58 0.76 0.04 0.00 0.04 -0.15 -1.71 116.94 116.51 3iaq h PHE 556 Ca 0.04 0.03 -0.24 0.00 2.80 0.00 0.00 57.97 60.59 3iaq h PHE 556 Cb 1.00 -0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.93 3iaq h PHE 556 CO 0.07 0.30 -1.03 0.00 -0.60 0.00 0.00 178.31 177.05 3iaq h ARG 557 N 0.71 0.36 -0.03 1.51 3.08 -1.35 -3.32 114.38 115.34 3iaq h ARG 557 Ca 0.38 -0.45 -0.22 0.00 0.07 0.00 0.00 59.98 59.76 3iaq h ARG 557 Cb 0.36 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3iaq h ARG 557 CO -0.25 1.14 -0.89 0.37 -1.07 0.00 0.00 179.97 179.27 3iaq h GLN 558 N 0.18 0.46 -4.82 0.04 4.15 -1.24 -3.42 115.11 110.46 3iaq h GLN 558 Ca -0.10 -0.45 -0.67 0.00 0.77 0.00 0.00 58.65 58.20 3iaq h GLN 558 Cb 1.70 0.12 -0.18 0.00 0.21 0.00 0.00 27.48 29.33 3iaq h GLN 558 CO 0.18 1.10 -0.43 0.71 -1.93 0.00 0.00 178.83 178.46 3iaq s TYR 559 N -3.39 3.22 0.22 3.99 1.51 -0.66 -4.98 117.35 117.26 3iaq s TYR 559 Ca -0.06 -0.09 -0.08 0.00 -1.01 0.00 0.00 57.07 55.83 3iaq s TYR 559 Cb 0.09 -2.52 0.33 0.00 -0.11 0.00 0.00 41.96 39.76 3iaq s TYR 559 CO 0.87 -0.34 1.73 -1.35 -1.11 0.00 0.00 175.55 175.35 3iaq h PRO 560 N 8.45 0.38 -0.00 -1.71 0.11 -1.82 -2.48 132.00 134.93 3iaq h PRO 560 Ca -0.31 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3iaq h PRO 560 Cb 1.16 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3iaq h PRO 560 CO 0.64 0.25 -0.02 0.54 -0.21 0.00 0.00 178.00 179.19 3iaq n ARG 561 N -5.02 0.77 -2.97 1.05 1.74 -1.26 -4.33 116.66 106.64 3iaq n ARG 561 Ca 0.10 -0.11 -0.44 0.00 -0.77 0.00 0.00 57.85 56.63 3iaq n ARG 561 Cb 0.32 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.25 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 -2.30 5.22 -0.12 0.55 1.43 -0.93 -1.07 118.68 121.46 3iaq s LEU 562 Ca 0.37 -2.36 0.11 0.00 -1.03 0.00 0.00 54.13 51.21 3iaq s LEU 562 Cb 0.21 -2.38 0.52 0.00 0.03 0.00 0.00 46.19 44.57 3iaq s LEU 562 CO 0.42 -0.93 1.34 0.00 0.23 0.00 0.00 176.35 177.42 3iaq n GLN 563 N 6.03 3.22 0.00 1.70 6.02 -0.34 -4.56 117.38 129.47 3iaq n GLN 563 Ca 0.26 -2.02 0.00 0.00 -0.01 0.00 0.00 57.00 55.23 3iaq n GLN 563 Cb 0.47 -1.85 0.00 0.00 1.02 0.00 0.00 30.24 29.88 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 0.65 0.21 0.00 1.08 0.00 -1.25 -0.10 105.19 105.77 3iaq n GLY 564 Ca 0.18 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.53 3.18 -0.02 0.00 -0.96 -2.01 105.19 104.85 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 -2.00 3.24 0.29 1.61 0.40 0.66 -2.11 117.98 120.06 3iaq s PHE 566 Ca 0.00 -1.82 -0.30 0.00 -0.60 0.00 0.00 56.93 54.21 3iaq s PHE 566 Cb 0.00 -2.10 -0.13 0.00 0.51 0.00 0.00 43.02 41.30 3iaq s PHE 566 CO 0.00 -0.79 1.36 0.28 0.70 0.00 0.00 175.22 176.76 3iaq n VAL 567 N 4.63 1.42 -3.62 -0.44 0.31 -0.54 -2.15 118.33 117.94 3iaq n VAL 567 Ca -0.14 -0.35 -0.40 0.00 -0.01 0.00 0.00 64.34 63.44 3iaq n VAL 567 Cb 0.44 -1.52 -0.11 0.00 -0.91 0.00 0.00 33.84 31.73 3iaq n VAL 567 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 3iaq s TRP 568 N -0.51 3.22 0.00 3.52 -0.11 0.30 -0.63 118.94 124.72 3iaq s TRP 568 Ca 0.62 -0.79 0.00 0.00 1.22 0.00 0.00 56.10 57.15 3iaq s TRP 568 Cb -0.61 -2.41 0.00 0.00 -1.50 0.00 0.00 33.47 28.95 3iaq s TRP 568 CO 0.55 -0.57 0.00 -0.40 -4.62 0.00 0.00 176.95 171.91 3iaq n ASP 569 N 5.00 0.00 0.05 5.86 5.75 0.69 -0.40 116.55 133.50 3iaq n ASP 569 Ca -0.13 -0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 54.62 3iaq n ASP 569 Cb 0.47 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.55 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 0.00 -0.18 -4.35 2.11 2.91 -1.18 -2.55 115.95 112.71 3iaq h TRP 570 Ca 0.00 -0.00 -0.62 0.00 1.13 0.00 0.00 58.89 59.39 3iaq h TRP 570 Cb 0.00 0.06 -0.28 0.00 -0.51 0.00 0.00 29.16 28.43 3iaq h TRP 570 CO 0.00 -0.11 -0.86 0.54 -1.03 0.00 0.00 178.44 176.98 3iaq s VAL 571 N -2.15 1.77 0.42 2.65 0.11 -1.26 -0.90 120.40 121.04 3iaq s VAL 571 Ca -0.03 -1.08 -0.26 0.00 -2.93 0.00 0.00 61.98 57.68 3iaq s VAL 571 Cb 0.00 -1.50 -0.10 0.00 -1.53 0.00 0.00 36.38 33.26 3iaq s VAL 571 CO 0.09 0.38 1.40 0.47 -3.33 0.00 0.00 175.10 174.11 3iaq n ASP 572 N 2.21 3.24 -3.28 3.54 8.00 -0.86 -4.44 116.55 124.96 3iaq n ASP 572 Ca -0.16 1.15 -0.40 0.00 0.71 0.00 0.00 54.79 56.09 3iaq n ASP 572 Cb 0.53 -1.58 0.02 0.00 -0.02 0.00 0.00 41.12 40.07 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 0.05 4.15 -3.65 -1.24 6.02 -0.62 -4.26 117.38 117.81 3iaq n GLN 573 Ca 0.05 -4.01 -0.35 0.00 -0.01 0.00 0.00 57.00 52.68 3iaq n GLN 573 Cb 0.40 -2.38 -0.05 0.00 1.02 0.00 0.00 30.24 29.22 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 -1.04 6.59 0.10 1.08 1.04 -1.26 -4.76 113.70 115.45 3iaq s SER 574 Ca 0.46 0.70 0.06 0.00 0.48 0.00 0.00 55.95 57.66 3iaq s SER 574 Cb 0.30 -2.15 -0.04 0.00 0.10 0.00 0.00 66.02 64.24 3iaq s SER 574 CO -0.25 0.23 -0.06 -0.76 0.98 0.00 0.00 173.24 173.38 3iaq s LEU 575 N -1.73 3.21 -0.06 2.42 1.43 -0.75 -4.27 118.68 118.93 3iaq s LEU 575 Ca 0.29 -0.30 -0.30 0.00 -1.03 0.00 0.00 54.13 52.79 3iaq s LEU 575 Cb -0.14 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 3iaq s LEU 575 CO 0.16 0.18 1.00 -0.63 0.23 0.00 0.00 176.35 177.29 3iaq s ILE 576 N -1.25 4.81 0.35 -0.59 -1.09 -0.84 -0.43 121.20 122.16 3iaq s ILE 576 Ca 0.23 2.04 0.07 0.00 -2.23 0.00 0.00 60.65 60.76 3iaq s ILE 576 Cb -0.11 -4.31 -0.07 0.00 -1.58 0.00 0.00 42.46 36.39 3iaq s ILE 576 CO 0.15 0.07 -0.02 -0.54 -1.23 0.00 0.00 174.94 173.38 3iaq s LYS 577 N 1.56 1.78 -0.01 2.79 1.02 -0.48 -4.95 119.74 121.46 3iaq s LYS 577 Ca 0.50 -1.97 0.05 0.00 0.02 0.00 0.00 55.97 54.58 3iaq s LYS 577 Cb -0.20 -1.39 -0.01 0.00 -0.52 0.00 0.00 37.83 35.71 3iaq s LYS 577 CO 0.23 -0.02 -0.17 0.71 -0.92 0.00 0.00 175.35 175.17 3iaq s TYR 578 N -2.87 1.54 0.00 3.18 1.51 -1.26 -0.73 117.35 118.72 3iaq s TYR 578 Ca 0.34 -0.30 0.00 0.00 -1.01 0.00 0.00 57.07 56.10 3iaq s TYR 578 Cb 0.07 -0.98 0.00 0.00 -0.11 0.00 0.00 41.96 40.94 3iaq s TYR 578 CO 0.16 -0.01 0.00 -0.40 -1.11 0.00 0.00 175.55 174.19 3iaq n ASP 579 N 2.55 0.00 0.29 2.29 5.68 -1.01 -4.87 116.55 121.48 3iaq n ASP 579 Ca -0.15 -0.87 0.18 0.00 -0.50 0.00 0.00 54.79 53.45 3iaq n ASP 579 Cb 0.54 0.00 0.98 0.00 -1.14 0.00 0.00 41.12 41.50 3iaq n ASP 579 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3iaq h GLU 580 N 0.00 0.00 -0.03 0.11 4.11 -2.01 -1.87 114.58 114.89 3iaq h GLU 580 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3iaq h GLU 580 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3iaq h GLU 580 CO 0.00 0.00 -0.01 0.09 0.07 0.00 0.00 179.01 179.16 3iaq n ASN 581 N -3.52 2.62 -1.05 3.06 3.02 -1.26 -4.96 115.26 113.17 3iaq n ASN 581 Ca -0.02 -1.87 -0.08 0.00 -0.03 0.00 0.00 54.58 52.58 3iaq n ASN 581 Cb 0.17 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 3iaq n ASN 581 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iaq n GLY 582 N 1.31 0.09 3.76 7.41 0.00 -0.70 -5.04 105.19 112.02 3iaq n GLY 582 Ca 0.15 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.72 6.25 0.21 1.61 -0.87 -1.26 -4.82 114.94 113.35 3iaq s ASN 583 Ca 0.04 0.29 -0.30 0.00 -1.57 0.00 0.00 52.86 51.32 3iaq s ASN 583 Cb -0.02 -2.09 -0.09 0.00 -0.02 0.00 0.00 41.25 39.04 3iaq s ASN 583 CO 0.05 0.23 1.18 -2.16 -2.57 0.00 0.00 177.10 173.83 3iaq s PRO 584 N 0.05 4.51 0.03 -0.60 0.04 -1.26 -2.40 135.00 135.38 3iaq s PRO 584 Ca 0.10 1.88 -0.02 0.00 0.04 0.00 0.00 61.00 63.00 3iaq s PRO 584 Cb -0.11 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.19 3iaq s PRO 584 CO -0.01 -0.03 0.01 1.67 0.04 0.00 0.00 177.00 178.68 3iaq s TRP 585 N -0.36 0.29 -0.41 0.56 1.48 0.09 -4.96 118.94 115.62 3iaq s TRP 585 Ca 0.51 -0.62 -0.25 0.00 -1.06 0.00 0.00 56.10 54.68 3iaq s TRP 585 Cb -0.33 -0.22 0.02 0.00 -1.16 0.00 0.00 33.47 31.79 3iaq s TRP 585 CO 0.39 -0.27 0.89 -1.12 -4.06 0.00 0.00 176.95 172.78 3iaq s SER 586 N -1.90 6.56 0.04 -2.66 0.01 -1.26 -1.39 113.70 113.11 3iaq s SER 586 Ca -0.09 0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.47 3iaq s SER 586 Cb -0.04 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.71 3iaq s SER 586 CO -0.03 -0.92 0.16 0.00 0.41 0.00 0.00 173.24 172.86 3iaq s ALA 587 N 3.52 3.85 0.00 1.44 0.00 0.43 -4.91 121.76 126.10 3iaq s ALA 587 Ca 0.36 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.45 3iaq s ALA 587 Cb -0.11 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.28 3iaq s ALA 587 CO 0.22 0.78 0.00 2.48 0.00 0.00 0.00 175.76 179.24 3iaq n TYR 588 N 0.54 0.00 -1.81 0.00 0.18 -1.26 -1.81 117.16 113.00 3iaq n TYR 588 Ca -0.08 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.28 3iaq n TYR 588 Cb 0.52 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.45 3iaq n TYR 588 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 3iaq s GLY 589 N 0.00 1.40 0.00 -7.48 0.00 -0.54 -2.56 107.32 98.14 3iaq s GLY 589 Ca 0.00 1.41 0.00 0.00 0.00 0.00 0.00 44.72 46.13 3iaq s GLY 589 CO 0.00 2.93 0.00 0.61 0.00 0.00 0.00 173.10 176.64 3iaq n GLY 590 N 4.03 1.77 0.00 0.20 0.00 -1.26 -3.89 105.19 106.04 3iaq n GLY 590 Ca 0.16 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.20 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 0.02 0.00 -0.09 1.61 8.00 -1.06 -2.10 116.55 122.94 3iaq n ASP 591 Ca 0.00 -0.75 0.08 0.00 0.71 0.00 0.00 54.79 54.83 3iaq n ASP 591 Cb 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 41.12 41.22 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 -0.85 0.00 -0.93 1.24 3.01 -1.26 -4.93 117.46 113.73 3iaq n PHE 592 Ca 0.10 -0.88 0.00 0.00 1.01 0.00 0.00 57.45 57.68 3iaq n PHE 592 Cb 0.05 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 39.38 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 -1.24 0.60 3.62 1.37 0.00 -0.89 -4.83 105.19 103.83 3iaq n GLY 593 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.44 6.30 -0.12 1.61 -4.77 -1.25 -4.98 116.67 111.02 3iaq s ASP 594 Ca 0.00 1.52 -0.07 0.00 -3.30 0.00 0.00 52.55 50.70 3iaq s ASP 594 Cb 0.00 -2.53 0.05 0.00 -1.09 0.00 0.00 42.92 39.34 3iaq s ASP 594 CO 0.00 -1.34 0.29 0.28 0.70 0.00 0.00 175.17 175.10 3iaq s THR 595 N 5.48 -0.03 0.58 2.11 -1.32 -1.26 -3.99 115.64 117.21 3iaq s THR 595 Ca 0.72 0.10 -0.17 0.00 -1.21 0.00 0.00 61.69 61.13 3iaq s THR 595 Cb -0.24 -0.44 -0.04 0.00 -1.51 0.00 0.00 72.50 70.27 3iaq s THR 595 CO 0.30 0.04 1.08 -2.84 -2.21 0.00 0.00 174.62 170.99 3iaq s PRO 596 N 1.05 3.31 0.17 7.08 0.02 -1.26 -5.18 135.00 140.19 3iaq s PRO 596 Ca -0.07 1.36 0.03 0.00 0.02 0.00 0.00 61.00 62.34 3iaq s PRO 596 Cb -0.08 -2.02 -0.05 0.00 0.02 0.00 0.00 34.50 32.37 3iaq s PRO 596 CO -0.08 -0.84 -0.02 0.54 -0.33 0.00 0.00 177.00 176.27 3iaq s ASN 597 N -2.37 1.41 -0.35 2.53 2.20 -1.26 -4.72 114.94 112.38 3iaq s ASN 597 Ca 0.67 -1.14 0.07 0.00 -0.94 0.00 0.00 52.86 51.51 3iaq s ASN 597 Cb -0.19 0.08 0.50 0.00 -2.00 0.00 0.00 41.25 39.64 3iaq s ASN 597 CO 0.32 -0.51 1.51 0.47 -2.94 0.00 0.00 177.10 175.95 3iaq n ASP 598 N -0.25 3.77 0.00 3.54 8.00 -0.94 -4.97 116.55 125.71 3iaq n ASP 598 Ca -0.07 -3.78 0.00 0.00 0.71 0.00 0.00 54.79 51.65 3iaq n ASP 598 Cb 0.63 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 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 -1.01 0.00 0.00 -1.24 1.85 -1.25 -2.36 116.66 112.65 3iaq n ARG 599 Ca 0.41 0.00 0.08 0.00 -1.00 0.00 0.00 57.85 57.34 3iaq n ARG 599 Cb 1.00 0.00 0.48 0.00 -1.05 0.00 0.00 32.46 32.89 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 14.00 0.97 0.00 2.89 0.00 -1.26 -1.47 117.38 132.51 3iaq n GLN 600 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 57.00 57.04 3iaq n GLN 600 Cb 0.00 -1.26 0.18 0.00 0.00 0.00 0.00 30.24 29.16 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 -0.76 0.00 1.13 2.61 3.72 -0.99 -1.49 117.46 121.67 3iaq n PHE 601 Ca 0.12 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.66 3iaq n PHE 601 Cb 0.06 -0.47 0.66 0.00 -0.94 0.00 0.00 39.48 38.79 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 -2.87 2.40 -0.30 0.00 -1.94 -0.56 -1.60 119.30 114.44 3iaq s MET 603 Ca 0.18 -2.14 0.16 0.00 -1.71 0.00 0.00 55.69 52.18 3iaq s MET 603 Cb 0.19 -3.75 0.48 0.00 2.01 0.00 0.00 34.83 33.76 3iaq s MET 603 CO 0.51 -1.15 1.10 0.09 -0.01 0.00 0.00 175.02 175.56 3iaq n ASN 604 N 4.16 2.75 -4.92 3.03 4.13 -1.26 -4.18 115.26 118.97 3iaq n ASN 604 Ca 0.02 -2.79 -0.29 0.00 1.68 0.00 0.00 54.58 53.20 3iaq n ASN 604 Cb 0.40 -0.45 -0.04 0.00 -1.54 0.00 0.00 39.78 38.15 3iaq n ASN 604 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3iaq s GLY 605 N -3.59 1.97 0.34 7.41 0.00 -1.11 -0.22 107.32 112.13 3iaq s GLY 605 Ca 0.35 -0.94 0.26 0.00 0.00 0.00 0.00 44.72 44.40 3iaq s GLY 605 CO -0.02 -0.93 1.77 1.41 0.00 0.00 0.00 173.10 175.33 3iaq h LEU 606 N 2.70 0.00 -8.46 0.66 3.38 -0.57 -3.45 115.31 109.58 3iaq h LEU 606 Ca -0.47 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.12 3iaq h LEU 606 Cb 1.18 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.73 3iaq h LEU 606 CO 0.72 0.00 -0.76 0.68 0.09 0.00 0.00 178.44 179.17 3iaq s VAL 607 N -3.31 1.10 0.94 1.22 -7.23 -0.81 -0.57 120.40 111.74 3iaq s VAL 607 Ca 0.06 -1.48 -0.12 0.00 -1.81 0.00 0.00 61.98 58.64 3iaq s VAL 607 Cb 0.09 -1.23 0.15 0.00 0.56 0.00 0.00 36.38 35.96 3iaq s VAL 607 CO 0.54 -0.36 1.09 -0.36 -0.31 0.00 0.00 175.10 175.70 3iaq s PHE 608 N -1.78 2.16 0.55 2.82 0.08 -0.00 -2.02 117.98 119.79 3iaq s PHE 608 Ca 0.02 1.22 0.29 0.00 0.12 0.00 0.00 56.93 58.58 3iaq s PHE 608 Cb -0.07 -3.18 1.46 0.00 -0.57 0.00 0.00 43.02 40.66 3iaq s PHE 608 CO 0.02 -2.64 1.93 0.00 -0.10 0.00 0.00 175.22 174.43 3iaq h ALA 609 N -1.72 2.54 -0.33 5.36 0.00 -1.90 0.11 119.26 123.32 3iaq h ALA 609 Ca -0.51 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3iaq h ALA 609 Cb 1.30 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3iaq h ALA 609 CO 0.54 -0.85 0.00 -0.40 0.00 0.00 0.00 179.25 178.55 3iaq n ASP 610 N -4.14 2.11 -0.00 0.00 5.68 -1.26 -4.48 116.55 114.46 3iaq n ASP 610 Ca 0.13 -1.90 -0.00 0.00 -0.50 0.00 0.00 54.79 52.52 3iaq n ASP 610 Cb 0.76 -0.22 -0.00 0.00 -1.14 0.00 0.00 41.12 40.52 3iaq n ASP 610 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3iaq n ARG 611 N 0.63 -0.02 -2.21 0.11 3.00 0.38 -5.03 116.66 113.53 3iaq n ARG 611 Ca 0.15 0.03 -0.42 0.00 -0.01 0.00 0.00 57.85 57.59 3iaq n ARG 611 Cb 0.36 -3.06 -0.03 0.00 0.00 0.00 0.00 32.46 29.73 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 -1.99 3.69 0.33 0.55 2.01 -1.26 -4.80 115.64 114.17 3iaq s THR 612 Ca 0.00 1.07 -0.29 0.00 0.31 0.00 0.00 61.69 62.78 3iaq s THR 612 Cb 0.00 -3.69 -0.11 0.00 0.01 0.00 0.00 72.50 68.71 3iaq s THR 612 CO 0.00 -0.01 1.54 -2.65 -0.69 0.00 0.00 174.62 172.82 3iaq n PRO 613 N 5.46 2.67 -2.31 4.92 -0.02 -1.26 -0.82 135.00 143.64 3iaq n PRO 613 Ca 0.13 0.94 -0.32 0.00 -2.02 0.00 0.00 63.50 62.23 3iaq n PRO 613 Cb 0.43 -2.70 -0.02 0.00 -0.02 0.00 0.00 33.50 31.19 3iaq n PRO 613 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3iaq s HIS 614 N -0.47 3.28 0.59 6.00 3.76 0.27 -4.82 115.29 123.91 3iaq s HIS 614 Ca 0.60 1.49 0.29 0.00 -0.15 0.00 0.00 55.06 57.29 3iaq s HIS 614 Cb -0.49 -2.87 1.60 0.00 1.11 0.00 0.00 32.58 31.92 3iaq s HIS 614 CO 0.55 -0.61 2.02 -1.35 -0.85 0.00 0.00 174.74 174.50 3iaq h PRO 615 N 0.84 0.00 0.00 8.40 0.11 -1.92 -0.60 132.00 138.83 3iaq h PRO 615 Ca -0.47 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 3iaq h PRO 615 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3iaq h PRO 615 CO 0.60 0.00 -0.14 0.00 -0.21 0.00 0.00 178.00 178.26 3iaq h ALA 616 N 1.64 1.32 -0.80 -0.75 0.00 -1.87 -3.08 119.26 115.72 3iaq h ALA 616 Ca 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3iaq h ALA 616 Cb 0.74 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3iaq h ALA 616 CO -0.00 0.17 0.47 1.25 0.00 0.00 0.00 179.25 181.14 3iaq h LEU 617 N 0.00 0.98 -1.51 0.00 5.85 -1.28 -1.97 115.31 117.37 3iaq h LEU 617 Ca -0.00 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 3iaq h LEU 617 Cb 0.35 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3iaq h LEU 617 CO 0.02 0.77 -0.25 0.00 -0.34 0.00 0.00 178.44 178.63 3iaq h THR 618 N 1.10 1.02 -0.08 1.05 1.03 -1.71 -0.67 112.91 114.65 3iaq h THR 618 Ca 0.29 -0.91 -0.01 0.00 -0.01 0.00 0.00 66.41 65.76 3iaq h THR 618 Cb -0.02 1.51 -0.00 0.00 -1.07 0.00 0.00 68.15 68.57 3iaq h THR 618 CO -0.05 0.25 -0.01 -0.08 -0.01 0.00 0.00 175.52 175.62 3iaq h GLU 619 N 0.00 0.14 -0.15 0.00 4.57 -1.49 -2.06 114.58 115.59 3iaq h GLU 619 Ca -0.00 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.17 3iaq h GLU 619 Cb 0.49 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.02 3iaq h GLU 619 CO 0.03 0.44 -0.16 0.00 -1.18 0.00 0.00 179.01 178.14 3iaq h ALA 620 N 0.70 -0.06 -0.52 2.92 0.00 -0.98 -1.51 119.26 119.80 3iaq h ALA 620 Ca 0.02 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.09 3iaq h ALA 620 Cb 0.38 0.33 -0.08 0.00 0.00 0.00 0.00 17.79 18.41 3iaq h ALA 620 CO 0.01 -0.60 0.01 -0.22 0.00 0.00 0.00 179.25 178.45 3iaq h LYS 621 N -0.18 0.13 -0.58 0.00 3.64 -1.08 -1.40 116.57 117.09 3iaq h LYS 621 Ca 0.10 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 3iaq h LYS 621 Cb 0.33 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 3iaq h LYS 621 CO -0.26 0.08 0.06 1.25 -2.27 0.00 0.00 179.45 178.31 3iaq h HIS 622 N 0.13 1.05 0.00 1.91 2.76 -1.00 -2.99 115.15 117.01 3iaq h HIS 622 Ca 0.27 -0.16 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 3iaq h HIS 622 Cb 0.40 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.08 3iaq h HIS 622 CO -0.31 0.93 0.00 1.96 -1.30 0.00 0.00 177.93 179.20 3iaq h GLN 623 N 0.87 0.00 -0.68 5.26 1.08 -0.83 -3.17 115.11 117.64 3iaq h GLN 623 Ca 0.17 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 3iaq h GLN 623 Cb 0.47 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 3iaq h GLN 623 CO 0.02 0.00 0.00 1.04 -0.95 0.00 0.00 178.83 178.94 3iaq n GLN 624 N -3.05 2.94 -1.12 1.46 6.02 -0.57 -4.94 117.38 118.12 3iaq n GLN 624 Ca 0.03 -2.56 -0.34 0.00 -0.01 0.00 0.00 57.00 54.12 3iaq n GLN 624 Cb 0.46 -1.65 0.10 0.00 1.02 0.00 0.00 30.24 30.17 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 1.36 0.17 -0.20 -1.09 6.02 -1.18 -4.87 117.38 117.59 3iaq n GLN 625 Ca 0.24 0.12 0.10 0.00 -0.01 0.00 0.00 57.00 57.44 3iaq n GLN 625 Cb 0.67 -2.13 0.21 0.00 1.02 0.00 0.00 30.24 30.01 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 -2.99 0.53 -4.25 1.08 3.01 -1.26 -4.86 117.46 108.72 3iaq n PHE 626 Ca 0.11 -0.31 -0.23 0.00 1.01 0.00 0.00 57.45 58.03 3iaq n PHE 626 Cb 0.51 -0.00 -0.17 0.00 -0.01 0.00 0.00 39.48 39.81 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 -1.26 1.07 0.03 1.38 0.08 -1.26 0.48 117.98 118.50 3iaq s PHE 627 Ca 0.36 -0.38 0.03 0.00 0.12 0.00 0.00 56.93 57.05 3iaq s PHE 627 Cb 0.20 -0.88 -0.04 0.00 -0.57 0.00 0.00 43.02 41.73 3iaq s PHE 627 CO 0.28 -0.27 -0.01 -0.65 -0.10 0.00 0.00 175.22 174.47 3iaq s GLN 628 N 1.00 2.69 -0.01 0.44 -1.52 -0.05 -4.95 119.66 117.26 3iaq s GLN 628 Ca -0.09 -0.69 0.05 0.00 -1.95 0.00 0.00 55.36 52.68 3iaq s GLN 628 Cb -0.14 -2.61 -0.01 0.00 -0.22 0.00 0.00 33.01 30.02 3iaq s GLN 628 CO -0.00 0.60 -0.16 -0.06 -0.25 0.00 0.00 175.29 175.41 3iaq s PHE 629 N -1.14 1.46 0.12 0.91 0.40 -1.26 -0.75 117.98 117.72 3iaq s PHE 629 Ca 0.21 -0.28 0.06 0.00 -0.60 0.00 0.00 56.93 56.32 3iaq s PHE 629 Cb -0.12 -0.93 -0.04 0.00 0.51 0.00 0.00 43.02 42.44 3iaq s PHE 629 CO 0.12 -0.02 -0.14 1.03 0.70 0.00 0.00 175.22 176.91 3iaq s ARG 630 N -0.47 1.03 -0.08 0.44 0.52 -0.62 -4.99 118.95 114.80 3iaq s ARG 630 Ca 0.06 -1.25 0.03 0.00 -0.52 0.00 0.00 55.73 54.05 3iaq s ARG 630 Cb -0.06 -0.93 0.01 0.00 0.52 0.00 0.00 34.95 34.49 3iaq s ARG 630 CO -0.00 0.18 -0.16 -1.17 0.02 0.00 0.00 175.30 174.17 3iaq s LEU 631 N -2.46 1.77 -0.14 2.53 2.96 -1.26 -0.89 118.68 121.19 3iaq s LEU 631 Ca 0.09 -0.37 -0.04 0.00 -0.22 0.00 0.00 54.13 53.59 3iaq s LEU 631 Cb -0.05 -0.99 0.05 0.00 0.50 0.00 0.00 46.19 45.70 3iaq s LEU 631 CO 0.03 0.07 0.06 -0.55 -1.32 0.00 0.00 176.35 174.64 3iaq s SER 632 N 0.57 2.15 1.80 3.68 0.15 -0.25 -5.00 113.70 116.79 3iaq s SER 632 Ca -0.16 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.03 3iaq s SER 632 Cb -0.16 -0.32 0.00 0.00 -1.71 0.00 0.00 66.02 63.82 3iaq s SER 632 CO 0.05 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.80 3iaq n GLY 633 N 5.22 2.91 0.97 9.45 0.00 -1.26 -0.85 105.19 121.63 3iaq n GLY 633 Ca -0.07 0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.14 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 8.02 2.71 -4.18 1.61 6.02 -1.26 -4.98 117.38 125.33 3iaq n GLN 634 Ca 0.00 -2.91 -0.34 0.00 -0.01 0.00 0.00 57.00 53.74 3iaq n GLN 634 Cb 0.00 -1.85 -0.12 0.00 1.02 0.00 0.00 30.24 29.29 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 -2.92 3.95 -0.22 5.09 2.01 -0.03 -0.64 115.64 122.88 3iaq s THR 635 Ca 0.43 -0.32 -0.10 0.00 0.31 0.00 0.00 61.69 62.01 3iaq s THR 635 Cb 0.36 -2.77 -0.05 0.00 0.01 0.00 0.00 72.50 70.05 3iaq s THR 635 CO 0.07 0.45 0.13 -0.63 -0.69 0.00 0.00 174.62 173.96 3iaq s ILE 636 N 0.78 5.25 -0.31 1.82 1.01 0.10 -1.09 121.20 128.77 3iaq s ILE 636 Ca -0.00 0.14 -0.11 0.00 0.00 0.00 0.00 60.65 60.68 3iaq s ILE 636 Cb -0.14 -3.42 -0.02 0.00 0.01 0.00 0.00 42.46 38.88 3iaq s ILE 636 CO 0.02 0.39 0.18 -0.70 0.00 0.00 0.00 174.94 174.83 3iaq s GLU 637 N 0.78 3.56 -0.28 2.79 2.12 -0.07 -0.14 118.70 127.46 3iaq s GLU 637 Ca 0.07 -0.58 -0.10 0.00 0.36 0.00 0.00 54.97 54.72 3iaq s GLU 637 Cb -0.13 -3.63 -0.03 0.00 0.26 0.00 0.00 34.13 30.60 3iaq s GLU 637 CO 0.02 -0.35 0.15 0.08 -0.54 0.00 0.00 175.26 174.62 3iaq s VAL 638 N 1.68 4.79 -0.21 3.70 1.01 0.47 -1.58 120.40 130.26 3iaq s VAL 638 Ca 0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 3iaq s VAL 638 Cb -0.17 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 3iaq s VAL 638 CO 0.08 0.20 -0.04 -0.89 0.00 0.00 0.00 175.10 174.46 3iaq s THR 639 N 1.67 3.51 0.17 3.92 2.01 0.07 -0.50 115.64 126.48 3iaq s THR 639 Ca 0.06 -0.46 -0.30 0.00 0.31 0.00 0.00 61.69 61.30 3iaq s THR 639 Cb -0.16 -2.58 -0.07 0.00 0.01 0.00 0.00 72.50 69.69 3iaq s THR 639 CO 0.07 0.43 1.11 -0.55 -0.69 0.00 0.00 174.62 174.99 3iaq s SER 640 N 1.24 7.25 0.00 3.53 0.15 -0.80 -0.87 113.70 124.19 3iaq s SER 640 Ca 0.03 2.08 0.20 0.00 0.70 0.00 0.00 55.95 58.96 3iaq s SER 640 Cb -0.14 -2.60 0.25 0.00 -1.71 0.00 0.00 66.02 61.82 3iaq s SER 640 CO -0.01 -0.25 1.21 -0.62 1.20 0.00 0.00 173.24 174.78 3iaq n GLU 641 N 2.52 2.03 -1.98 5.44 1.02 0.18 -3.17 120.64 126.67 3iaq n GLU 641 Ca 0.03 -1.89 -0.37 0.00 -0.02 0.00 0.00 57.16 54.91 3iaq n GLU 641 Cb 0.46 -1.41 0.03 0.00 -0.02 0.00 0.00 31.44 30.50 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 -1.53 2.47 -0.06 -0.32 2.02 -1.25 -4.82 117.35 113.86 3iaq s TYR 642 Ca 0.28 1.47 0.20 0.00 -0.37 0.00 0.00 57.07 58.65 3iaq s TYR 642 Cb 0.18 -3.58 -0.31 0.00 -0.40 0.00 0.00 41.96 37.85 3iaq s TYR 642 CO 0.26 -2.31 0.38 1.28 -1.57 0.00 0.00 175.55 173.59 3iaq n LEU 643 N -1.10 0.00 0.00 -1.29 4.77 -1.26 -1.72 117.00 116.40 3iaq n LEU 643 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3iaq n LEU 643 Cb 0.47 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 3iaq n LEU 643 CO 0.48 0.10 -0.26 0.49 -1.33 0.00 0.00 177.39 176.87 3iaq n PHE 644 N -2.33 0.00 -3.42 -1.77 3.72 -1.26 -4.84 117.46 107.55 3iaq n PHE 644 Ca -0.10 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 56.94 3iaq n PHE 644 Cb 0.67 0.03 -0.06 0.00 -0.94 0.00 0.00 39.48 39.18 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 -1.57 3.96 0.60 -1.08 1.70 -1.26 -4.80 118.95 116.50 3iaq s ARG 645 Ca 0.00 0.45 -0.15 0.00 -0.47 0.00 0.00 55.73 55.56 3iaq s ARG 645 Cb 0.00 -3.06 -0.03 0.00 -0.57 0.00 0.00 34.95 31.29 3iaq s ARG 645 CO 0.00 0.57 1.06 -1.01 -1.08 0.00 0.00 175.30 174.84 3iaq s HIS 646 N -1.30 2.97 -1.16 5.89 3.76 -1.26 -3.64 115.29 120.55 3iaq s HIS 646 Ca 0.32 1.51 -0.20 0.00 -0.15 0.00 0.00 55.06 56.54 3iaq s HIS 646 Cb -0.16 -3.01 -0.05 0.00 1.11 0.00 0.00 32.58 30.48 3iaq s HIS 646 CO 0.18 -1.16 1.92 -1.13 -0.85 0.00 0.00 174.74 173.70 3iaq n SER 647 N -2.13 3.55 -1.66 1.40 3.41 -0.51 -4.66 113.62 113.02 3iaq n SER 647 Ca 0.09 -2.77 0.09 0.00 -0.26 0.00 0.00 58.87 56.02 3iaq n SER 647 Cb 0.53 -1.59 0.37 0.00 -0.26 0.00 0.00 64.21 63.26 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 10.13 4.97 -2.70 4.04 5.75 -1.26 -4.24 116.55 133.24 3iaq n ASP 648 Ca 0.48 -2.52 -0.06 0.00 -0.01 0.00 0.00 54.79 52.68 3iaq n ASP 648 Cb 0.44 -0.60 0.09 0.00 -1.03 0.00 0.00 41.12 40.02 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 1.09 -0.51 -3.76 -1.12 5.15 -1.26 -5.04 115.26 109.80 3iaq n ASN 649 Ca 0.27 -2.45 -0.13 0.00 -0.60 0.00 0.00 54.58 51.67 3iaq n ASN 649 Cb 0.95 0.36 -0.12 0.00 -0.53 0.00 0.00 39.78 40.44 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 -1.19 0.26 -0.01 1.20 8.01 -1.26 -4.05 118.70 121.66 3iaq s GLU 650 Ca 0.22 0.42 -0.01 0.00 0.01 0.00 0.00 54.97 55.61 3iaq s GLU 650 Cb 0.42 0.04 0.00 0.00 -4.31 0.00 0.00 34.13 30.28 3iaq s GLU 650 CO -0.05 -0.09 0.03 -0.48 0.01 0.00 0.00 175.26 174.68 3iaq s LEU 651 N 0.59 1.88 -0.31 1.80 0.05 -0.47 -2.13 118.68 120.08 3iaq s LEU 651 Ca -0.04 0.06 -0.24 0.00 0.05 0.00 0.00 54.13 53.96 3iaq s LEU 651 Cb -0.05 0.09 0.00 0.00 -2.05 0.00 0.00 46.19 44.19 3iaq s LEU 651 CO -0.03 -0.01 0.81 -0.22 -0.55 0.00 0.00 176.35 176.35 3iaq s LEU 652 N 0.04 4.08 0.15 1.48 2.96 0.87 -1.77 118.68 126.48 3iaq s LEU 652 Ca -0.00 0.69 -0.21 0.00 -0.22 0.00 0.00 54.13 54.39 3iaq s LEU 652 Cb -0.00 -3.11 -0.07 0.00 0.50 0.00 0.00 46.19 43.50 3iaq s LEU 652 CO -0.00 -0.64 0.67 -1.00 -1.32 0.00 0.00 176.35 174.07 3iaq s HIS 653 N 3.01 3.78 -0.02 5.38 3.76 0.38 -1.21 115.29 130.38 3iaq s HIS 653 Ca 0.33 1.40 0.02 0.00 -0.15 0.00 0.00 55.06 56.67 3iaq s HIS 653 Cb -0.14 -2.60 -0.00 0.00 1.11 0.00 0.00 32.58 30.95 3iaq s HIS 653 CO 0.13 0.49 -0.08 1.67 -0.85 0.00 0.00 174.74 176.10 3iaq s TRP 654 N -1.25 0.79 -0.06 1.40 1.48 -0.88 -0.60 118.94 119.82 3iaq s TRP 654 Ca 0.35 -0.17 -0.00 0.00 -1.06 0.00 0.00 56.10 55.22 3iaq s TRP 654 Cb -0.20 -0.55 0.02 0.00 -1.16 0.00 0.00 33.47 31.59 3iaq s TRP 654 CO 0.22 -0.06 -0.02 1.41 -4.06 0.00 0.00 176.95 174.44 3iaq s MET 655 N 0.05 0.72 -0.19 3.25 1.75 0.02 -1.98 119.30 122.92 3iaq s MET 655 Ca -0.00 -0.01 -0.04 0.00 -1.25 0.00 0.00 55.69 54.38 3iaq s MET 655 Cb -0.06 -0.90 -0.02 0.00 2.84 0.00 0.00 34.83 36.69 3iaq s MET 655 CO -0.00 -0.19 -0.02 0.08 -0.65 0.00 0.00 175.02 174.24 3iaq s VAL 656 N 1.40 3.82 -0.01 10.11 1.01 -0.01 -1.04 120.40 135.67 3iaq s VAL 656 Ca -0.04 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.60 3iaq s VAL 656 Cb -0.13 -2.71 -0.00 0.00 0.00 0.00 0.00 36.38 33.53 3iaq s VAL 656 CO -0.03 0.45 -0.06 0.00 0.00 0.00 0.00 175.10 175.46 3iaq s ALA 657 N 0.89 0.56 -0.40 5.51 0.00 -0.42 -1.02 121.76 126.88 3iaq s ALA 657 Ca 0.00 -0.26 -0.17 0.00 0.00 0.00 0.00 51.96 51.53 3iaq s ALA 657 Cb -0.14 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.83 3iaq s ALA 657 CO 0.02 0.12 0.45 -1.17 0.00 0.00 0.00 175.76 175.18 3iaq s LEU 658 N -0.07 4.69 -1.48 0.00 2.96 -0.61 -0.55 118.68 123.61 3iaq s LEU 658 Ca 0.01 -0.48 -0.00 0.00 -0.22 0.00 0.00 54.13 53.44 3iaq s LEU 658 Cb -0.04 -2.43 0.00 0.00 0.50 0.00 0.00 46.19 44.22 3iaq s LEU 658 CO -0.00 -0.54 0.18 0.47 -1.32 0.00 0.00 176.35 175.14 3iaq n ASP 659 N 5.63 0.37 0.00 3.68 8.00 -1.01 -1.33 116.55 131.90 3iaq n ASP 659 Ca -0.07 -1.16 0.00 0.00 0.71 0.00 0.00 54.79 54.27 3iaq n ASP 659 Cb 0.48 -2.21 0.00 0.00 -0.02 0.00 0.00 41.12 39.37 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 -2.33 2.95 3.62 0.44 0.00 -1.26 -4.82 105.19 103.79 3iaq n GLY 660 Ca -0.32 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.49 4.01 0.14 1.61 1.02 -0.44 -4.67 119.74 120.91 3iaq s LYS 661 Ca 0.00 0.72 -0.31 0.00 0.02 0.00 0.00 55.97 56.39 3iaq s LYS 661 Cb 0.00 -3.72 -0.10 0.00 -0.52 0.00 0.00 37.83 33.49 3iaq s LYS 661 CO 0.00 -0.70 1.68 -2.14 -0.92 0.00 0.00 175.35 173.27 3iaq s PRO 662 N 3.07 4.17 0.00 -1.68 0.02 -1.26 -1.58 135.00 137.75 3iaq s PRO 662 Ca 0.35 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.83 3iaq s PRO 662 Cb -0.14 -3.34 0.00 0.00 0.02 0.00 0.00 34.50 31.04 3iaq s PRO 662 CO 0.12 -0.72 0.00 -0.11 -0.33 0.00 0.00 177.00 175.96 3iaq n LEU 663 N 4.73 0.00 -3.59 -5.54 -0.00 -0.19 -4.93 117.00 107.48 3iaq n LEU 663 Ca 0.16 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 56.06 3iaq n LEU 663 Cb 0.38 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.75 3iaq n LEU 663 CO 0.63 0.00 0.76 0.00 -0.00 0.00 0.00 177.39 178.79 3iaq s ALA 664 N -1.96 -1.94 0.22 1.96 0.00 -1.01 -4.98 121.76 114.06 3iaq s ALA 664 Ca 0.00 1.63 -0.15 0.00 0.00 0.00 0.00 51.96 53.44 3iaq s ALA 664 Cb 0.00 -0.81 0.01 0.00 0.00 0.00 0.00 23.12 22.32 3iaq s ALA 664 CO 0.00 -0.30 0.50 -1.54 0.00 0.00 0.00 175.76 174.42 3iaq s SER 665 N -0.90 -0.15 0.18 0.00 1.04 -1.26 -0.83 113.70 111.78 3iaq s SER 665 Ca -0.01 -0.72 -0.23 0.00 0.48 0.00 0.00 55.95 55.47 3iaq s SER 665 Cb -0.01 0.58 0.07 0.00 0.10 0.00 0.00 66.02 66.76 3iaq s SER 665 CO 0.01 -1.10 1.03 -0.83 0.98 0.00 0.00 173.24 173.32 3iaq s GLY 666 N -2.95 0.05 -0.06 7.32 0.00 -0.84 -5.00 107.32 105.85 3iaq s GLY 666 Ca 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 44.72 44.63 3iaq s GLY 666 CO 0.03 1.90 -0.01 -0.54 0.00 0.00 0.00 173.10 174.48 3iaq s GLU 667 N -2.37 0.62 -0.10 2.90 2.02 -1.26 -2.07 118.70 118.43 3iaq s GLU 667 Ca 0.20 0.05 0.01 0.00 0.02 0.00 0.00 54.97 55.25 3iaq s GLU 667 Cb -0.02 -0.87 0.02 0.00 0.10 0.00 0.00 34.13 33.36 3iaq s GLU 667 CO 0.05 -0.22 -0.12 0.08 0.02 0.00 0.00 175.26 175.06 3iaq s VAL 668 N 1.58 1.30 0.48 2.63 1.01 -0.35 -4.99 120.40 122.06 3iaq s VAL 668 Ca -0.01 -0.51 -0.24 0.00 0.00 0.00 0.00 61.98 61.22 3iaq s VAL 668 Cb -0.13 -1.21 -0.07 0.00 0.00 0.00 0.00 36.38 34.96 3iaq s VAL 668 CO -0.03 0.40 1.33 -2.65 0.00 0.00 0.00 175.10 174.15 3iaq n PRO 669 N 4.33 1.89 -3.61 2.72 -0.02 -1.26 -0.09 135.00 138.96 3iaq n PRO 669 Ca -0.18 0.68 -0.37 0.00 -2.02 0.00 0.00 63.50 61.61 3iaq n PRO 669 Cb 0.51 -2.51 -0.09 0.00 -0.02 0.00 0.00 33.50 31.39 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 -2.56 4.12 -0.48 2.45 1.43 -0.90 -4.74 118.68 117.99 3iaq s LEU 670 Ca 0.65 0.17 0.07 0.00 -1.03 0.00 0.00 54.13 54.00 3iaq s LEU 670 Cb -0.46 -2.17 0.25 0.00 0.03 0.00 0.00 46.19 43.84 3iaq s LEU 670 CO 0.54 0.03 0.61 -0.67 0.23 0.00 0.00 176.35 177.10 3iaq n ASP 671 N 4.36 1.51 -4.43 2.29 2.03 -1.26 -4.68 116.55 116.37 3iaq n ASP 671 Ca -0.14 -2.97 -0.33 0.00 0.52 0.00 0.00 54.79 51.86 3iaq n ASP 671 Cb 0.52 -0.65 -0.13 0.00 -0.72 0.00 0.00 41.12 40.14 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 -1.69 3.47 0.62 5.18 1.01 -1.26 -4.90 120.40 122.84 3iaq s VAL 672 Ca 0.37 -0.51 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 3iaq s VAL 672 Cb 0.17 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 3iaq s VAL 672 CO -0.07 0.51 1.08 0.00 0.00 0.00 0.00 175.10 176.61 3iaq s ALA 673 N 0.40 2.64 0.18 5.51 0.00 -1.26 -1.43 121.76 127.80 3iaq s ALA 673 Ca -0.07 0.42 -0.33 0.00 0.00 0.00 0.00 51.96 51.98 3iaq s ALA 673 Cb -0.15 -3.26 -0.14 0.00 0.00 0.00 0.00 23.12 19.57 3iaq s ALA 673 CO 0.04 -1.01 1.42 -0.35 0.00 0.00 0.00 175.76 175.86 3iaq n PRO 674 N -2.26 1.83 -0.78 0.00 -0.04 -1.24 -0.95 135.00 131.57 3iaq n PRO 674 Ca 0.09 0.65 0.00 0.00 -0.04 0.00 0.00 63.50 64.21 3iaq n PRO 674 Cb 0.53 -2.32 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 3iaq n PRO 674 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3iaq n GLN 675 N 2.51 -0.20 -1.34 0.54 1.13 -0.70 -4.95 117.38 114.38 3iaq n GLN 675 Ca 0.15 0.05 -0.07 0.00 -1.94 0.00 0.00 57.00 55.19 3iaq n GLN 675 Cb 0.28 -3.68 0.03 0.00 0.11 0.00 0.00 30.24 26.98 3iaq n GLN 675 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3iaq n GLY 676 N -1.79 1.06 3.20 1.08 0.00 -0.12 -4.80 105.19 103.82 3iaq n GLY 676 Ca 0.00 -2.03 -0.17 0.00 0.00 0.00 0.00 46.02 43.82 3iaq n GLY 676 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iaq s LYS 677 N -3.12 0.90 -0.02 1.61 1.02 -1.26 -1.90 119.74 116.96 3iaq s LYS 677 Ca 0.20 -1.12 0.00 0.00 0.02 0.00 0.00 55.97 55.08 3iaq s LYS 677 Cb -0.01 -0.75 0.02 0.00 -0.52 0.00 0.00 37.83 36.57 3iaq s LYS 677 CO 0.13 0.15 0.01 -1.14 -0.92 0.00 0.00 175.35 173.58 3iaq s GLN 678 N -2.39 0.16 -0.15 1.68 0.74 0.35 -4.82 119.66 115.23 3iaq s GLN 678 Ca 0.04 0.09 -0.11 0.00 0.05 0.00 0.00 55.36 55.43 3iaq s GLN 678 Cb -0.06 -0.35 -0.05 0.00 1.10 0.00 0.00 33.01 33.65 3iaq s GLN 678 CO 0.02 -0.12 0.22 -0.51 -0.55 0.00 0.00 175.29 174.35 3iaq s LEU 679 N 0.88 4.29 -0.20 3.68 1.43 -1.26 -0.39 118.68 127.11 3iaq s LEU 679 Ca -0.08 0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 3iaq s LEU 679 Cb -0.12 -2.24 0.05 0.00 0.03 0.00 0.00 46.19 43.91 3iaq s LEU 679 CO -0.02 0.22 -0.07 -0.63 0.23 0.00 0.00 176.35 176.08 3iaq s ILE 680 N -0.08 1.43 -0.00 -0.59 1.01 0.81 -4.98 121.20 118.80 3iaq s ILE 680 Ca 0.14 -0.93 -0.30 0.00 0.00 0.00 0.00 60.65 59.56 3iaq s ILE 680 Cb -0.13 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 3iaq s ILE 680 CO 0.03 0.09 1.08 -0.70 0.00 0.00 0.00 174.94 175.44 3iaq s GLU 681 N 1.48 4.47 0.29 2.79 2.56 -1.26 -0.72 118.70 128.31 3iaq s GLU 681 Ca -0.02 1.56 -0.28 0.00 0.00 0.00 0.00 54.97 56.24 3iaq s GLU 681 Cb -0.17 -3.45 -0.10 0.00 2.00 0.00 0.00 34.13 32.42 3iaq s GLU 681 CO -0.08 -0.20 0.95 -0.51 -0.56 0.00 0.00 175.26 174.86 3iaq s LEU 682 N 1.32 4.47 0.53 2.70 1.43 0.18 -4.99 118.68 124.31 3iaq s LEU 682 Ca 0.54 1.89 -0.22 0.00 -1.03 0.00 0.00 54.13 55.32 3iaq s LEU 682 Cb -0.24 -3.85 -0.05 0.00 0.03 0.00 0.00 46.19 42.08 3iaq s LEU 682 CO 0.26 0.02 1.28 -2.16 0.23 0.00 0.00 176.35 175.98 3iaq s PRO 683 N -1.70 3.28 0.38 1.29 0.04 -1.26 -4.95 135.00 132.08 3iaq s PRO 683 Ca 0.46 2.04 -0.28 0.00 0.04 0.00 0.00 61.00 63.26 3iaq s PRO 683 Cb -0.22 -2.24 -0.11 0.00 0.04 0.00 0.00 34.50 31.97 3iaq s PRO 683 CO 0.27 -1.01 1.49 -1.91 0.04 0.00 0.00 177.00 175.88 3iaq n GLU 684 N -0.97 2.65 -4.46 4.56 2.13 -1.26 -4.99 120.64 118.31 3iaq n GLU 684 Ca 0.10 0.93 -0.33 0.00 0.66 0.00 0.00 57.16 58.52 3iaq n GLU 684 Cb 0.47 -2.67 -0.10 0.00 0.27 0.00 0.00 31.44 29.40 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 -2.12 3.33 -0.28 4.31 1.43 -1.26 -5.07 118.68 119.01 3iaq s LEU 685 Ca 0.54 -0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 53.34 3iaq s LEU 685 Cb -0.47 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 43.92 3iaq s LEU 685 CO 0.63 0.33 1.39 -2.84 0.23 0.00 0.00 176.35 176.09 3iaq s PRO 686 N -1.13 3.87 0.06 1.29 0.02 -1.26 -4.97 135.00 132.87 3iaq s PRO 686 Ca 0.15 1.34 -0.31 0.00 0.02 0.00 0.00 61.00 62.20 3iaq s PRO 686 Cb -0.11 -3.93 -0.08 0.00 0.02 0.00 0.00 34.50 30.40 3iaq s PRO 686 CO 0.05 -1.19 1.62 -0.65 -0.33 0.00 0.00 177.00 176.51 3iaq s GLN 687 N 4.33 4.21 0.27 5.54 -0.21 -1.26 -4.99 119.66 127.55 3iaq s GLN 687 Ca 0.60 2.28 -0.29 0.00 0.02 0.00 0.00 55.36 57.98 3iaq s GLN 687 Cb -0.19 -3.60 -0.09 0.00 1.00 0.00 0.00 33.01 30.13 3iaq s GLN 687 CO 0.25 -0.72 0.95 -1.25 -2.12 0.00 0.00 175.29 172.41 3iaq s PRO 688 N 2.63 4.76 0.12 2.91 0.04 -1.26 -4.98 135.00 139.21 3iaq s PRO 688 Ca 0.73 1.46 0.01 0.00 0.04 0.00 0.00 61.00 63.24 3iaq s PRO 688 Cb -0.39 -3.13 -0.18 0.00 0.04 0.00 0.00 34.50 30.84 3iaq s PRO 688 CO 0.31 0.43 1.25 0.93 0.04 0.00 0.00 177.00 179.97 3iaq h GLU 689 N 3.83 0.16 -7.10 4.56 5.08 -2.04 -3.46 114.58 115.61 3iaq h GLU 689 Ca -0.46 -0.24 -0.50 0.00 -1.00 0.00 0.00 59.36 57.16 3iaq h GLU 689 Cb 1.20 0.08 0.08 0.00 0.50 0.00 0.00 28.75 30.61 3iaq h GLU 689 CO 0.67 1.07 0.43 -1.54 -1.00 0.00 0.00 179.01 178.64 3iaq s SER 690 N -6.94 5.63 0.75 1.42 1.04 -1.26 -5.02 113.70 109.33 3iaq s SER 690 Ca -0.02 2.17 -0.11 0.00 0.48 0.00 0.00 55.95 58.47 3iaq s SER 690 Cb 0.09 -2.58 0.04 0.00 0.10 0.00 0.00 66.02 63.67 3iaq s SER 690 CO 0.85 -1.28 1.09 0.00 0.98 0.00 0.00 173.24 174.87 3iaq s ALA 691 N -1.82 2.36 0.00 5.32 0.00 -1.26 -4.93 121.76 121.42 3iaq s ALA 691 Ca 0.72 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.93 3iaq s ALA 691 Cb -0.24 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.63 3iaq s ALA 691 CO 0.29 -1.63 0.00 0.41 0.00 0.00 0.00 175.76 174.83 3iaq n GLY 692 N -1.34 1.00 3.64 0.00 0.00 0.39 -4.97 105.19 103.91 3iaq n GLY 692 Ca 0.09 -1.98 -0.36 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.10 4.02 -0.08 1.61 2.00 -1.26 -1.51 119.66 123.34 3iaq s GLN 693 Ca 0.00 -0.29 -0.30 0.00 -2.00 0.00 0.00 55.36 52.77 3iaq s GLN 693 Cb 0.00 -3.51 -0.02 0.00 0.80 0.00 0.00 33.01 30.28 3iaq s GLN 693 CO 0.00 0.04 1.01 -0.51 -0.50 0.00 0.00 175.29 175.33 3iaq s LEU 694 N 1.11 4.28 -0.10 3.68 1.43 0.35 -2.39 118.68 127.03 3iaq s LEU 694 Ca 0.07 1.58 0.02 0.00 -1.03 0.00 0.00 54.13 54.77 3iaq s LEU 694 Cb -0.14 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.51 3iaq s LEU 694 CO 0.05 -0.41 -0.17 0.26 0.23 0.00 0.00 176.35 176.31 3iaq s TRP 695 N 1.79 2.70 -0.13 0.29 0.52 0.28 -0.19 118.94 124.21 3iaq s TRP 695 Ca 0.50 -0.66 -0.05 0.00 0.02 0.00 0.00 56.10 55.90 3iaq s TRP 695 Cb -0.19 -1.76 -0.04 0.00 -1.15 0.00 0.00 33.47 30.33 3iaq s TRP 695 CO 0.21 -0.20 0.06 -1.17 0.02 0.00 0.00 176.95 175.87 3iaq s LEU 696 N 0.13 3.89 -0.05 2.99 2.96 0.05 -1.30 118.68 127.34 3iaq s LEU 696 Ca -0.08 0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 3iaq s LEU 696 Cb -0.15 -1.94 0.02 0.00 0.50 0.00 0.00 46.19 44.62 3iaq s LEU 696 CO 0.05 0.32 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.44 3iaq s THR 697 N -0.52 0.80 -0.02 3.68 2.01 -0.21 -1.13 115.64 120.25 3iaq s THR 697 Ca 0.10 -0.28 0.05 0.00 0.31 0.00 0.00 61.69 61.87 3iaq s THR 697 Cb -0.12 -0.77 -0.03 0.00 0.01 0.00 0.00 72.50 71.59 3iaq s THR 697 CO 0.02 0.28 -0.15 0.68 -0.69 0.00 0.00 174.62 174.77 3iaq s VAL 698 N 0.81 3.03 0.03 3.82 -7.23 -0.51 -0.80 120.40 119.55 3iaq s VAL 698 Ca -0.13 -0.85 0.05 0.00 -1.81 0.00 0.00 61.98 59.24 3iaq s VAL 698 Cb -0.15 -2.22 -0.02 0.00 0.56 0.00 0.00 36.38 34.55 3iaq s VAL 698 CO 0.02 0.51 -0.15 -0.13 -0.31 0.00 0.00 175.10 175.03 3iaq s ARG 699 N -0.98 1.05 -0.32 4.82 0.52 0.24 -2.10 118.95 122.18 3iaq s ARG 699 Ca 0.13 -0.75 -0.09 0.00 -0.52 0.00 0.00 55.73 54.50 3iaq s ARG 699 Cb -0.11 -1.07 0.01 0.00 0.52 0.00 0.00 34.95 34.30 3iaq s ARG 699 CO 0.02 0.27 0.13 0.08 0.02 0.00 0.00 175.30 175.83 3iaq s VAL 700 N -0.76 4.33 -0.11 3.52 1.01 -0.04 -0.47 120.40 127.89 3iaq s VAL 700 Ca 0.03 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 3iaq s VAL 700 Cb -0.08 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 3iaq s VAL 700 CO 0.01 0.01 -0.05 -0.69 0.00 0.00 0.00 175.10 174.39 3iaq s VAL 701 N 1.55 3.86 -0.53 2.92 1.01 -0.73 -1.50 120.40 126.98 3iaq s VAL 701 Ca 0.03 -0.40 -0.22 0.00 0.00 0.00 0.00 61.98 61.40 3iaq s VAL 701 Cb -0.18 -2.63 0.05 0.00 0.00 0.00 0.00 36.38 33.63 3iaq s VAL 701 CO 0.05 0.56 0.78 -1.10 0.00 0.00 0.00 175.10 175.38 3iaq s GLN 702 N -0.35 3.22 0.16 2.72 -0.21 0.42 -1.37 119.66 124.25 3iaq s GLN 702 Ca 0.06 -0.59 -0.11 0.00 0.02 0.00 0.00 55.36 54.73 3iaq s GLN 702 Cb -0.12 -4.08 0.02 0.00 1.00 0.00 0.00 33.01 29.83 3iaq s GLN 702 CO 0.02 -1.35 1.60 -1.35 -2.12 0.00 0.00 175.29 172.09 3iaq h PRO 703 N 9.15 0.94 -6.32 2.91 0.11 -1.87 0.22 132.00 137.13 3iaq h PRO 703 Ca -0.27 -0.32 -0.56 0.00 0.11 0.00 0.00 66.00 64.97 3iaq h PRO 703 Cb 1.08 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 3iaq h PRO 703 CO 1.02 0.97 -0.04 -0.80 -0.21 0.00 0.00 178.00 178.95 3iaq s ASN 704 N -6.47 6.95 0.51 -2.05 -0.87 -1.26 -3.53 114.94 108.22 3iaq s ASN 704 Ca -0.12 1.20 -0.20 0.00 -1.57 0.00 0.00 52.86 52.16 3iaq s ASN 704 Cb 0.12 -2.33 -0.07 0.00 -0.02 0.00 0.00 41.25 38.95 3iaq s ASN 704 CO 0.84 0.16 1.11 0.00 -2.57 0.00 0.00 177.10 176.64 3iaq s ALA 705 N -1.33 2.79 0.43 0.60 0.00 -1.26 -4.49 121.76 118.51 3iaq s ALA 705 Ca 0.35 0.79 0.03 0.00 0.00 0.00 0.00 51.96 53.14 3iaq s ALA 705 Cb -0.17 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 3iaq s ALA 705 CO 0.19 -0.63 0.05 0.95 0.00 0.00 0.00 175.76 176.32 3iaq s THR 706 N -1.77 1.13 0.59 0.00 -4.23 0.67 -4.90 115.64 107.14 3iaq s THR 706 Ca 0.70 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.51 3iaq s THR 706 Cb -0.23 -2.45 0.36 0.00 1.34 0.00 0.00 72.50 71.52 3iaq s THR 706 CO 0.27 0.00 2.22 0.00 -0.54 0.00 0.00 174.62 176.57 3iaq h ALA 707 N 1.67 1.57 -0.00 3.99 0.00 -1.99 -3.13 119.26 121.37 3iaq h ALA 707 Ca -0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3iaq h ALA 707 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3iaq h ALA 707 CO 0.69 -0.07 -0.18 -2.67 0.00 0.00 0.00 179.25 177.02 3iaq n TRP 708 N -3.80 0.00 -3.83 0.00 4.27 -1.26 -5.05 117.44 107.77 3iaq n TRP 708 Ca -0.02 0.00 -0.11 0.00 -3.89 0.00 0.00 57.50 53.48 3iaq n TRP 708 Cb 0.14 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 30.00 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 -1.24 -0.04 0.60 -0.67 1.04 -1.18 -4.68 113.70 107.53 3iaq s SER 709 Ca 0.03 -0.19 -0.12 0.00 0.48 0.00 0.00 55.95 56.15 3iaq s SER 709 Cb 0.04 0.27 -0.05 0.00 0.10 0.00 0.00 66.02 66.38 3iaq s SER 709 CO 0.17 -0.47 1.02 -1.61 0.98 0.00 0.00 173.24 173.34 3iaq s GLU 710 N -1.84 3.64 0.25 4.02 2.02 -1.26 -0.23 118.70 125.30 3iaq s GLU 710 Ca -0.11 0.80 -0.31 0.00 0.02 0.00 0.00 54.97 55.37 3iaq s GLU 710 Cb -0.04 -2.09 -0.12 0.00 0.10 0.00 0.00 34.13 31.98 3iaq s GLU 710 CO 0.00 -0.53 1.62 0.00 0.02 0.00 0.00 175.26 176.37 3iaq n ALA 711 N -2.53 2.44 -0.15 5.21 0.00 -1.26 -2.35 120.51 121.87 3iaq n ALA 711 Ca 0.06 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3iaq n ALA 711 Cb 0.54 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.53 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 2.78 0.61 3.68 0.00 0.00 0.78 -4.94 105.19 108.11 3iaq n GLY 712 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 2.07 -3.74 1.61 -0.00 -0.99 -4.63 115.22 107.54 3iaq n HIS 713 Ca 0.00 0.56 -0.36 0.00 0.46 0.00 0.00 57.72 58.38 3iaq n HIS 713 Cb 0.00 -2.38 -0.11 0.00 -0.12 0.00 0.00 29.99 27.38 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 -1.12 4.90 -0.19 3.57 1.01 -1.26 -0.44 121.20 127.67 3iaq s ILE 714 Ca 0.57 0.02 0.18 0.00 0.00 0.00 0.00 60.65 61.42 3iaq s ILE 714 Cb -0.57 -3.29 -0.25 0.00 0.01 0.00 0.00 42.46 38.37 3iaq s ILE 714 CO 0.61 0.34 0.09 -1.54 0.00 0.00 0.00 174.94 174.44 3iaq n SER 715 N 4.55 0.11 -3.76 3.58 3.41 -0.56 -5.02 113.62 115.92 3iaq n SER 715 Ca -0.15 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.35 3iaq n SER 715 Cb 0.52 1.04 -0.07 0.00 -0.26 0.00 0.00 64.21 65.43 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 -2.53 -0.63 0.22 7.33 0.00 -1.25 -4.77 121.76 120.14 3iaq s ALA 716 Ca -0.10 -0.09 -0.20 0.00 0.00 0.00 0.00 51.96 51.57 3iaq s ALA 716 Cb 0.06 0.38 0.03 0.00 0.00 0.00 0.00 23.12 23.59 3iaq s ALA 716 CO 0.82 -0.44 0.61 1.67 0.00 0.00 0.00 175.76 178.41 3iaq s TRP 717 N -2.84 -0.19 0.03 0.00 -2.14 -1.26 -0.86 118.94 111.68 3iaq s TRP 717 Ca -0.03 -0.17 -0.27 0.00 2.66 0.00 0.00 56.10 58.29 3iaq s TRP 717 Cb 0.00 0.53 0.09 0.00 -3.10 0.00 0.00 33.47 30.99 3iaq s TRP 717 CO -0.05 -1.03 0.75 -1.14 -2.66 0.00 0.00 176.95 172.82 3iaq s GLN 718 N -3.88 1.01 0.14 3.25 2.00 -0.89 -5.00 119.66 116.29 3iaq s GLN 718 Ca 0.09 -0.22 0.05 0.00 -2.00 0.00 0.00 55.36 53.28 3iaq s GLN 718 Cb -0.03 0.47 -0.04 0.00 0.80 0.00 0.00 33.01 34.21 3iaq s GLN 718 CO -0.00 -0.41 -0.12 -0.65 -0.50 0.00 0.00 175.29 173.61 3iaq s GLN 719 N -2.82 1.07 0.00 1.67 -0.21 -1.26 -1.43 119.66 116.68 3iaq s GLN 719 Ca -0.00 -1.37 -0.06 0.00 0.02 0.00 0.00 55.36 53.95 3iaq s GLN 719 Cb -0.01 -0.78 -0.00 0.00 1.00 0.00 0.00 33.01 33.22 3iaq s GLN 719 CO -0.06 0.12 0.10 -1.58 -2.12 0.00 0.00 175.29 171.76 3iaq s TRP 720 N -2.79 0.06 -0.19 0.91 0.51 -0.28 -5.00 118.94 112.16 3iaq s TRP 720 Ca 0.14 -0.15 -0.29 0.00 -2.12 0.00 0.00 56.10 53.68 3iaq s TRP 720 Cb -0.01 -0.06 0.00 0.00 -0.81 0.00 0.00 33.47 32.59 3iaq s TRP 720 CO 0.02 -0.24 1.01 1.03 -0.51 0.00 0.00 176.95 178.26 3iaq s ARG 721 N -1.23 4.31 0.00 4.98 0.52 -1.26 -0.77 118.95 125.50 3iaq s ARG 721 Ca -0.13 1.33 0.00 0.00 -0.52 0.00 0.00 55.73 56.41 3iaq s ARG 721 Cb -0.07 -3.61 0.00 0.00 0.52 0.00 0.00 34.95 31.79 3iaq s ARG 721 CO 0.01 -0.52 0.00 1.28 0.02 0.00 0.00 175.30 176.09 3iaq n LEU 722 N 5.87 0.00 -4.79 2.53 4.77 0.73 -4.94 117.00 121.18 3iaq n LEU 722 Ca 0.10 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.71 3iaq n LEU 722 Cb 0.47 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.50 3iaq n LEU 722 CO 0.52 0.00 0.58 0.00 -1.33 0.00 0.00 177.39 177.16 3iaq s ALA 723 N -3.36 3.29 -0.08 -1.18 0.00 -1.26 -4.82 121.76 114.35 3iaq s ALA 723 Ca 0.00 0.44 0.04 0.00 0.00 0.00 0.00 51.96 52.44 3iaq s ALA 723 Cb 0.00 -3.08 -0.00 0.00 0.00 0.00 0.00 23.12 20.04 3iaq s ALA 723 CO 0.00 0.22 -0.22 -2.00 0.00 0.00 0.00 175.76 173.77 3iaq s GLU 724 N -1.88 2.60 -0.28 0.00 2.12 -1.26 -0.50 118.70 119.50 3iaq s GLU 724 Ca 0.46 -0.78 -0.01 0.00 0.36 0.00 0.00 54.97 55.01 3iaq s GLU 724 Cb -0.19 -2.05 0.05 0.00 0.26 0.00 0.00 34.13 32.20 3iaq s GLU 724 CO 0.24 0.20 -0.04 -0.80 -0.54 0.00 0.00 175.26 174.33 3iaq s ASN 725 N 0.26 4.67 0.12 -1.70 0.01 -0.57 -5.00 114.94 112.73 3iaq s ASN 725 Ca -0.14 -1.22 -0.30 0.00 -0.71 0.00 0.00 52.86 50.50 3iaq s ASN 725 Cb -0.16 -1.67 -0.07 0.00 0.41 0.00 0.00 41.25 39.77 3iaq s ASN 725 CO 0.06 -0.22 1.17 -0.76 -1.51 0.00 0.00 177.10 175.84 3iaq s LEU 726 N 1.23 4.42 -0.15 0.60 1.43 -1.26 -0.47 118.68 124.49 3iaq s LEU 726 Ca -0.05 2.08 -0.29 0.00 -1.03 0.00 0.00 54.13 54.85 3iaq s LEU 726 Cb -0.19 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.38 3iaq s LEU 726 CO -0.03 -0.38 2.08 -0.55 0.23 0.00 0.00 176.35 177.71 3iaq s SER 727 N 0.52 5.83 -0.02 2.29 0.15 -1.26 -4.84 113.70 116.37 3iaq s SER 727 Ca 0.55 2.07 0.14 0.00 0.70 0.00 0.00 55.95 59.41 3iaq s SER 727 Cb -0.30 -2.52 -0.21 0.00 -1.71 0.00 0.00 66.02 61.28 3iaq s SER 727 CO 0.33 -1.64 0.29 1.33 1.20 0.00 0.00 173.24 174.75 3iaq n VAL 728 N 7.00 0.03 -2.29 4.45 0.24 -1.26 -5.00 118.33 121.50 3iaq n VAL 728 Ca 0.26 -0.32 -0.40 0.00 -2.04 0.00 0.00 64.34 61.84 3iaq n VAL 728 Cb 0.44 0.16 -0.03 0.00 -1.47 0.00 0.00 33.84 32.93 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 -2.92 3.10 0.35 3.34 -4.23 -1.26 -5.02 115.64 108.99 3iaq s THR 729 Ca -0.05 1.09 -0.25 0.00 -1.18 0.00 0.00 61.69 61.30 3iaq s THR 729 Cb 0.09 -3.68 -0.10 0.00 1.34 0.00 0.00 72.50 70.14 3iaq s THR 729 CO 0.56 0.24 0.94 -0.76 -0.54 0.00 0.00 174.62 175.07 3iaq s LEU 730 N -1.72 4.24 0.56 4.79 1.02 -1.26 -5.05 118.68 121.26 3iaq s LEU 730 Ca 0.48 1.79 -0.21 0.00 0.02 0.00 0.00 54.13 56.21 3iaq s LEU 730 Cb -0.35 -4.15 -0.04 0.00 0.02 0.00 0.00 46.19 41.67 3iaq s LEU 730 CO 0.46 -0.14 1.28 -2.84 0.02 0.00 0.00 176.35 175.13 3iaq s PRO 731 N -2.35 3.08 0.64 1.29 0.02 -1.26 -4.97 135.00 131.46 3iaq s PRO 731 Ca 0.53 2.04 -0.18 0.00 0.02 0.00 0.00 61.00 63.41 3iaq s PRO 731 Cb -0.16 -2.12 -0.02 0.00 0.02 0.00 0.00 34.50 32.22 3iaq s PRO 731 CO 0.21 -1.17 1.26 0.00 -0.33 0.00 0.00 177.00 176.97 3iaq n ALA 732 N -1.24 1.07 -1.66 -1.55 0.00 -1.26 -4.89 120.51 110.98 3iaq n ALA 732 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.14 3iaq n ALA 732 Cb 0.47 -2.31 -0.03 0.00 0.00 0.00 0.00 19.45 17.59 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 -1.39 2.62 0.62 0.00 0.00 -1.26 -4.91 121.76 117.44 3iaq s ALA 733 Ca 0.82 0.61 -0.18 0.00 0.00 0.00 0.00 51.96 53.20 3iaq s ALA 733 Cb -0.38 -4.10 -0.02 0.00 0.00 0.00 0.00 23.12 18.61 3iaq s ALA 733 CO 0.41 -2.97 1.27 -1.54 0.00 0.00 0.00 175.76 172.93 3iaq s SER 734 N 8.42 4.83 0.14 0.00 1.04 -1.26 -4.95 113.70 121.91 3iaq s SER 734 Ca 0.97 2.56 0.00 0.00 0.48 0.00 0.00 55.95 59.96 3iaq s SER 734 Cb -0.30 -2.61 -0.10 0.00 0.10 0.00 0.00 66.02 63.11 3iaq s SER 734 CO 0.34 -1.85 1.31 0.45 0.98 0.00 0.00 173.24 174.46 3iaq h HIS 735 N 0.71 0.37 -1.73 5.02 3.86 -1.91 -3.47 115.15 118.00 3iaq h HIS 735 Ca -0.51 -0.22 -0.62 0.00 -1.16 0.00 0.00 60.37 57.86 3iaq h HIS 735 Cb 1.32 -0.03 -0.12 0.00 1.06 0.00 0.00 27.41 29.63 3iaq h HIS 735 CO 0.43 1.07 -0.61 0.00 0.86 0.00 0.00 177.93 179.69 3iaq s ALA 736 N -3.06 3.17 -0.03 2.45 0.00 -1.26 -5.16 121.76 117.86 3iaq s ALA 736 Ca -0.03 -2.22 0.00 0.00 0.00 0.00 0.00 51.96 49.71 3iaq s ALA 736 Cb 0.09 0.03 0.03 0.00 0.00 0.00 0.00 23.12 23.27 3iaq s ALA 736 CO 0.85 -0.07 0.01 -1.50 0.00 0.00 0.00 175.76 175.05 3iaq s ILE 737 N -2.66 0.14 0.50 0.00 2.07 -1.26 -4.12 121.20 115.87 3iaq s ILE 737 Ca 0.35 0.13 -0.23 0.00 -1.41 0.00 0.00 60.65 59.50 3iaq s ILE 737 Cb 0.07 -0.26 -0.06 0.00 0.13 0.00 0.00 42.46 42.34 3iaq s ILE 737 CO 0.18 0.15 1.29 -2.84 -1.91 0.00 0.00 174.94 171.81 3iaq s PRO 738 N 1.21 3.44 -0.14 3.50 0.02 -1.26 -4.97 135.00 136.79 3iaq s PRO 738 Ca -0.07 2.07 -0.03 0.00 0.02 0.00 0.00 61.00 62.98 3iaq s PRO 738 Cb -0.13 -2.36 -0.03 0.00 0.02 0.00 0.00 34.50 32.00 3iaq s PRO 738 CO -0.02 -0.90 -0.02 -1.58 -0.33 0.00 0.00 177.00 174.14 3iaq s HIS 739 N -1.39 3.06 -0.18 6.54 2.46 -0.52 -4.81 115.29 120.46 3iaq s HIS 739 Ca 0.67 -0.17 -0.13 0.00 0.47 0.00 0.00 55.06 55.90 3iaq s HIS 739 Cb -0.36 -1.93 -0.05 0.00 -0.13 0.00 0.00 32.58 30.11 3iaq s HIS 739 CO 0.43 0.08 0.28 -1.17 -2.47 0.00 0.00 174.74 171.89 3iaq s LEU 740 N 0.11 4.22 -0.22 8.88 2.96 -1.26 -1.91 118.68 131.45 3iaq s LEU 740 Ca 0.00 0.44 0.00 0.00 -0.22 0.00 0.00 54.13 54.35 3iaq s LEU 740 Cb -0.13 -2.34 0.03 0.00 0.50 0.00 0.00 46.19 44.25 3iaq s LEU 740 CO 0.02 0.08 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.12 3iaq s THR 741 N 0.62 2.46 -0.37 3.68 2.01 0.11 -4.97 115.64 119.17 3iaq s THR 741 Ca 0.15 -1.06 -0.09 0.00 0.31 0.00 0.00 61.69 60.99 3iaq s THR 741 Cb -0.13 -2.19 0.04 0.00 0.01 0.00 0.00 72.50 70.23 3iaq s THR 741 CO 0.04 0.31 0.19 -0.89 -0.69 0.00 0.00 174.62 173.58 3iaq s THR 742 N 1.28 4.29 0.52 -0.82 2.01 -1.26 -0.42 115.64 121.25 3iaq s THR 742 Ca 0.01 -1.04 0.06 0.00 0.31 0.00 0.00 61.69 61.03 3iaq s THR 742 Cb -0.16 -3.45 0.03 0.00 0.01 0.00 0.00 72.50 68.93 3iaq s THR 742 CO -0.08 -0.27 0.39 -0.94 -0.69 0.00 0.00 174.62 173.03 3iaq s SER 743 N 1.61 4.65 0.27 3.53 1.04 -0.03 -5.02 113.70 119.75 3iaq s SER 743 Ca 0.01 -1.19 -0.04 0.00 0.48 0.00 0.00 55.95 55.21 3iaq s SER 743 Cb -0.20 0.28 0.34 0.00 0.10 0.00 0.00 66.02 66.54 3iaq s SER 743 CO 0.05 -1.03 1.93 -0.08 0.98 0.00 0.00 173.24 175.09 3iaq h GLU 744 N 0.81 1.23 0.00 4.02 4.57 -2.03 -3.26 114.58 119.92 3iaq h GLU 744 Ca -0.37 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 57.69 3iaq h GLU 744 Cb 1.30 -0.28 -0.01 0.00 -0.16 0.00 0.00 28.75 29.60 3iaq h GLU 744 CO 0.58 0.81 -1.89 -0.12 -1.18 0.00 0.00 179.01 177.21 3iaq n MET 745 N -4.41 0.65 -4.15 1.92 1.56 -1.26 -4.88 117.12 106.55 3iaq n MET 745 Ca 0.12 -0.15 -0.15 0.00 -0.27 0.00 0.00 57.70 57.25 3iaq n MET 745 Cb 0.04 -1.44 -0.13 0.00 2.15 0.00 0.00 33.22 33.85 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 -4.27 0.98 -0.21 6.12 1.01 -1.23 -0.20 116.67 118.87 3iaq s ASP 746 Ca -0.07 -0.40 -0.10 0.00 0.71 0.00 0.00 52.55 52.69 3iaq s ASP 746 Cb 0.11 -0.03 -0.05 0.00 1.01 0.00 0.00 42.92 43.96 3iaq s ASP 746 CO 0.76 -0.07 0.13 -0.36 0.21 0.00 0.00 175.17 175.83 3iaq s PHE 747 N -0.91 3.35 -0.13 4.23 0.08 -0.30 -0.85 117.98 123.45 3iaq s PHE 747 Ca -0.04 0.25 0.02 0.00 0.12 0.00 0.00 56.93 57.27 3iaq s PHE 747 Cb -0.07 -2.19 -0.00 0.00 -0.57 0.00 0.00 43.02 40.19 3iaq s PHE 747 CO 0.00 0.18 -0.18 0.00 -0.10 0.00 0.00 175.22 175.12 3iaq s ILE 749 N 0.57 3.81 0.00 0.00 1.09 -0.77 -0.71 121.20 125.19 3iaq s ILE 749 Ca -0.11 -0.37 0.07 0.00 -1.10 0.00 0.00 60.65 59.14 3iaq s ILE 749 Cb -0.16 -2.70 -0.02 0.00 -1.06 0.00 0.00 42.46 38.52 3iaq s ILE 749 CO 0.04 0.46 -0.20 -1.61 -0.10 0.00 0.00 174.94 173.52 3iaq s GLU 750 N 0.80 1.56 -0.28 2.79 2.02 -0.80 -0.74 118.70 124.04 3iaq s GLU 750 Ca -0.01 -0.79 0.02 0.00 0.02 0.00 0.00 54.97 54.22 3iaq s GLU 750 Cb -0.14 -1.56 0.17 0.00 0.10 0.00 0.00 34.13 32.70 3iaq s GLU 750 CO 0.02 0.42 0.49 -1.17 0.02 0.00 0.00 175.26 175.03 3iaq s LEU 751 N -0.69 -1.11 0.00 1.80 2.96 -0.58 -1.43 118.68 119.64 3iaq s LEU 751 Ca 0.08 0.05 0.00 0.00 -0.22 0.00 0.00 54.13 54.03 3iaq s LEU 751 Cb -0.08 1.54 0.00 0.00 0.50 0.00 0.00 46.19 48.14 3iaq s LEU 751 CO -0.00 -0.32 0.00 0.61 -1.32 0.00 0.00 176.35 175.32 3iaq n GLY 752 N 5.39 1.29 0.00 7.98 0.00 -1.26 -1.56 105.19 117.03 3iaq n GLY 752 Ca 0.01 0.24 0.03 0.00 0.00 0.00 0.00 46.02 46.31 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 7.27 1.20 -4.78 1.61 6.94 -1.26 -5.01 115.26 121.23 3iaq n ASN 753 Ca 0.00 -0.47 -0.39 0.00 -0.02 0.00 0.00 54.58 53.70 3iaq n ASN 753 Cb 0.00 1.09 -0.06 0.00 -2.36 0.00 0.00 39.78 38.45 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 -1.88 4.59 -0.14 -3.83 1.02 -0.60 -1.66 119.74 117.24 3iaq s LYS 754 Ca 0.01 1.23 -0.07 0.00 0.02 0.00 0.00 55.97 57.15 3iaq s LYS 754 Cb 0.05 -3.12 0.05 0.00 -0.52 0.00 0.00 37.83 34.29 3iaq s LYS 754 CO 0.28 0.48 0.33 0.50 -0.92 0.00 0.00 175.35 176.02 3iaq s ARG 755 N -1.45 0.29 0.03 1.68 3.52 -0.43 -1.53 118.95 121.06 3iaq s ARG 755 Ca 0.41 0.67 0.04 0.00 -0.13 0.00 0.00 55.73 56.72 3iaq s ARG 755 Cb -0.22 -0.07 -0.03 0.00 -1.56 0.00 0.00 34.95 33.07 3iaq s ARG 755 CO 0.26 -0.17 -0.09 -1.58 -0.81 0.00 0.00 175.30 172.92 3iaq s TRP 756 N 1.39 2.82 -0.17 5.12 0.51 0.08 0.13 118.94 128.81 3iaq s TRP 756 Ca -0.09 -0.09 0.00 0.00 -2.12 0.00 0.00 56.10 53.80 3iaq s TRP 756 Cb -0.10 -1.56 0.04 0.00 -0.81 0.00 0.00 33.47 31.04 3iaq s TRP 756 CO -0.11 0.36 -0.09 -1.14 -0.51 0.00 0.00 176.95 175.47 3iaq s GLN 757 N -1.56 1.81 -0.42 4.98 0.74 0.19 -1.85 119.66 123.56 3iaq s GLN 757 Ca 0.18 -0.62 -0.10 0.00 0.05 0.00 0.00 55.36 54.87 3iaq s GLN 757 Cb -0.11 -2.14 0.07 0.00 1.10 0.00 0.00 33.01 31.94 3iaq s GLN 757 CO 0.08 -0.38 0.26 -0.06 -0.55 0.00 0.00 175.29 174.64 3iaq s PHE 758 N 1.53 3.33 -0.06 1.67 0.40 0.39 -1.29 117.98 123.93 3iaq s PHE 758 Ca 0.01 -1.47 -0.29 0.00 -0.60 0.00 0.00 56.93 54.58 3iaq s PHE 758 Cb -0.15 -2.93 -0.06 0.00 0.51 0.00 0.00 43.02 40.38 3iaq s PHE 758 CO -0.08 -0.83 1.85 1.21 0.70 0.00 0.00 175.22 178.06 3iaq s ASN 759 N 2.10 6.37 0.46 1.36 3.84 -0.76 -1.15 114.94 127.17 3iaq s ASN 759 Ca 0.03 2.28 0.26 0.00 0.21 0.00 0.00 52.86 55.64 3iaq s ASN 759 Cb -0.23 -2.53 0.92 0.00 -0.55 0.00 0.00 41.25 38.86 3iaq s ASN 759 CO 0.03 -1.16 1.82 0.03 -2.79 0.00 0.00 177.10 175.02 3iaq h ARG 760 N 10.88 0.00 0.01 0.43 3.08 -0.92 0.37 114.38 128.23 3iaq h ARG 760 Ca -0.43 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.62 3iaq h ARG 760 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 3iaq h ARG 760 CO 0.96 0.15 -0.01 0.37 -1.07 0.00 0.00 179.97 180.37 3iaq h GLN 761 N 0.00 -0.02 0.00 0.04 4.15 -1.91 -3.38 115.11 114.00 3iaq h GLN 761 Ca -0.00 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.19 3iaq h GLN 761 Cb 0.76 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.42 3iaq h GLN 761 CO 0.02 0.76 -1.19 0.66 -1.93 0.00 0.00 178.83 177.15 3iaq h SER 762 N -0.93 0.01 0.00 -0.69 4.64 -1.93 -3.45 113.55 111.19 3iaq h SER 762 Ca -0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3iaq h SER 762 Cb 0.79 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3iaq h SER 762 CO 0.00 1.01 0.00 0.61 -0.87 0.00 0.00 176.83 177.58 3iaq n GLY 763 N 1.41 0.53 3.52 -0.77 0.00 0.13 -4.79 105.19 105.22 3iaq n GLY 763 Ca -0.05 -0.40 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 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 2.47 -0.55 1.61 0.08 -1.22 -4.91 117.98 113.45 3iaq s PHE 764 Ca 0.00 -0.29 -0.27 0.00 0.12 0.00 0.00 56.93 56.50 3iaq s PHE 764 Cb 0.00 -1.16 -0.02 0.00 -0.57 0.00 0.00 43.02 41.26 3iaq s PHE 764 CO 0.00 0.57 1.89 -1.17 -0.10 0.00 0.00 175.22 176.42 3iaq s LEU 765 N -3.08 3.34 -0.02 -0.37 2.96 -1.26 -1.83 118.68 118.42 3iaq s LEU 765 Ca 0.26 0.58 0.12 0.00 -0.22 0.00 0.00 54.13 54.87 3iaq s LEU 765 Cb -0.07 -2.71 -0.22 0.00 0.50 0.00 0.00 46.19 43.68 3iaq s LEU 765 CO 0.14 -2.29 0.74 0.77 -1.32 0.00 0.00 176.35 174.39 3iaq h SER 766 N 14.95 0.00 -5.04 3.68 4.64 -1.54 -0.40 113.55 129.83 3iaq h SER 766 Ca -0.27 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.96 3iaq h SER 766 Cb 1.17 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.09 3iaq h SER 766 CO 1.18 0.99 -0.20 -1.58 -0.87 0.00 0.00 176.83 176.34 3iaq s GLN 767 N -2.62 0.83 -0.01 4.77 2.00 -1.21 -4.28 119.66 119.15 3iaq s GLN 767 Ca -0.04 -0.43 -0.02 0.00 -2.00 0.00 0.00 55.36 52.87 3iaq s GLN 767 Cb 0.08 0.37 -0.00 0.00 0.80 0.00 0.00 33.01 34.26 3iaq s GLN 767 CO 0.82 -0.27 0.03 1.41 -0.50 0.00 0.00 175.29 176.79 3iaq s MET 768 N -2.42 0.14 -0.06 1.67 -2.45 -1.26 -0.64 119.30 114.29 3iaq s MET 768 Ca -0.06 -0.13 0.03 0.00 -1.25 0.00 0.00 55.69 54.29 3iaq s MET 768 Cb -0.01 0.06 0.01 0.00 1.25 0.00 0.00 34.83 36.13 3iaq s MET 768 CO -0.02 -0.02 -0.15 -1.58 1.05 0.00 0.00 175.02 174.30 3iaq s TRP 769 N -0.42 1.62 -0.33 4.11 0.51 0.12 -0.42 118.94 124.13 3iaq s TRP 769 Ca -0.05 -0.55 -0.05 0.00 -2.12 0.00 0.00 56.10 53.33 3iaq s TRP 769 Cb -0.03 -1.13 0.05 0.00 -0.81 0.00 0.00 33.47 31.54 3iaq s TRP 769 CO -0.00 -0.24 0.07 0.42 -0.51 0.00 0.00 176.95 176.69 3iaq s ILE 770 N 0.40 3.46 0.00 2.03 1.01 -1.03 -1.32 121.20 125.76 3iaq s ILE 770 Ca -0.11 -1.28 0.00 0.00 0.00 0.00 0.00 60.65 59.26 3iaq s ILE 770 Cb -0.14 -3.00 0.00 0.00 0.01 0.00 0.00 42.46 39.33 3iaq s ILE 770 CO 0.04 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.40 3iaq n GLY 771 N 4.73 3.05 0.60 6.18 0.00 -0.67 -2.56 105.19 116.51 3iaq n GLY 771 Ca -0.12 -0.23 0.06 0.00 0.00 0.00 0.00 46.02 45.73 3iaq n GLY 771 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3iaq n ASP 772 N 8.93 2.43 -4.65 1.61 5.68 -1.26 -4.86 116.55 124.42 3iaq n ASP 772 Ca 0.00 -1.70 -0.39 0.00 -0.50 0.00 0.00 54.79 52.20 3iaq n ASP 772 Cb 0.00 -0.09 -0.07 0.00 -1.14 0.00 0.00 41.12 39.82 3iaq n ASP 772 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 3iaq s LYS 773 N -1.05 4.15 0.37 0.11 2.20 -1.06 -5.05 119.74 119.41 3iaq s LYS 773 Ca 0.19 0.37 -0.28 0.00 -0.36 0.00 0.00 55.97 55.89 3iaq s LYS 773 Cb 0.12 -3.59 -0.11 0.00 -1.51 0.00 0.00 37.83 32.74 3iaq s LYS 773 CO 0.17 -0.20 1.51 0.15 -0.36 0.00 0.00 175.35 176.62 3iaq s LYS 774 N 1.81 4.10 -0.02 4.03 1.02 -1.26 -2.46 119.74 126.96 3iaq s LYS 774 Ca 0.23 2.59 0.17 0.00 0.02 0.00 0.00 55.97 58.98 3iaq s LYS 774 Cb -0.15 -2.97 -0.25 0.00 -0.52 0.00 0.00 37.83 33.93 3iaq s LYS 774 CO 0.09 -0.56 0.43 1.04 -0.92 0.00 0.00 175.35 175.44 3iaq n GLN 775 N 0.71 0.69 -4.32 1.68 1.13 0.44 -4.72 117.38 112.99 3iaq n GLN 775 Ca 0.02 -0.13 -0.20 0.00 -1.94 0.00 0.00 57.00 54.75 3iaq n GLN 775 Cb 0.39 -1.39 -0.13 0.00 0.11 0.00 0.00 30.24 29.22 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 -3.95 2.21 -0.08 1.08 1.43 -1.26 -1.01 118.68 117.10 3iaq s LEU 776 Ca -0.04 -0.53 0.09 0.00 -1.03 0.00 0.00 54.13 52.61 3iaq s LEU 776 Cb 0.11 -0.64 -0.12 0.00 0.03 0.00 0.00 46.19 45.57 3iaq s LEU 776 CO 0.71 0.02 0.07 0.18 0.23 0.00 0.00 176.35 177.56 3iaq n LEU 777 N 1.63 0.00 -4.12 1.79 4.77 0.19 -4.71 117.00 116.56 3iaq n LEU 777 Ca -0.19 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.51 3iaq n LEU 777 Cb 0.54 0.19 -0.17 0.00 -2.33 0.00 0.00 43.42 41.65 3iaq n LEU 777 CO 0.22 0.19 -0.51 -0.89 -1.33 0.00 0.00 177.39 175.07 3iaq s THR 778 N -2.32 1.58 0.73 -5.08 2.01 -1.12 -4.95 115.64 106.51 3iaq s THR 778 Ca -0.04 -0.74 -0.16 0.00 0.31 0.00 0.00 61.69 61.06 3iaq s THR 778 Cb 0.03 -1.40 -0.03 0.00 0.01 0.00 0.00 72.50 71.11 3iaq s THR 778 CO 0.39 0.45 0.54 -2.65 -0.69 0.00 0.00 174.62 172.66 3iaq n PRO 779 N 3.70 0.28 -2.43 4.92 -0.02 -1.26 -3.13 135.00 137.06 3iaq n PRO 779 Ca -0.21 0.14 -0.43 0.00 -2.02 0.00 0.00 63.50 60.98 3iaq n PRO 779 Cb 0.52 -1.85 -0.02 0.00 -0.02 0.00 0.00 33.50 32.13 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 -0.39 3.71 0.13 2.45 2.96 -0.16 -4.52 118.68 122.87 3iaq s LEU 780 Ca 0.65 0.92 0.04 0.00 -0.22 0.00 0.00 54.13 55.52 3iaq s LEU 780 Cb -0.34 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.76 3iaq s LEU 780 CO 0.58 -1.26 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.13 3iaq s ARG 781 N 4.53 1.01 0.57 1.98 0.52 -0.59 -4.07 118.95 122.89 3iaq s ARG 781 Ca 0.57 -1.41 -0.18 0.00 -0.52 0.00 0.00 55.73 54.19 3iaq s ARG 781 Cb -0.14 -0.55 -0.05 0.00 0.52 0.00 0.00 34.95 34.74 3iaq s ARG 781 CO 0.28 0.06 1.12 -0.51 0.02 0.00 0.00 175.30 176.27 3iaq s ASP 782 N -3.08 5.64 -0.04 0.23 1.11 -1.26 -0.31 116.67 118.96 3iaq s ASP 782 Ca 0.15 2.11 -0.01 0.00 0.18 0.00 0.00 52.55 54.98 3iaq s ASP 782 Cb 0.02 -2.57 0.03 0.00 1.07 0.00 0.00 42.92 41.47 3iaq s ASP 782 CO -0.00 -1.27 0.04 -1.58 1.18 0.00 0.00 175.17 173.53 3iaq s GLN 783 N -3.48 0.05 0.00 8.23 0.74 -0.19 -4.74 119.66 120.27 3iaq s GLN 783 Ca 0.71 0.29 0.08 0.00 0.05 0.00 0.00 55.36 56.48 3iaq s GLN 783 Cb -0.22 -0.53 0.09 0.00 1.10 0.00 0.00 33.01 33.45 3iaq s GLN 783 CO 0.30 -0.28 0.84 1.19 -0.55 0.00 0.00 175.29 176.79 3iaq n PHE 784 N 5.00 0.07 -4.44 1.67 3.72 -1.26 -2.40 117.46 119.82 3iaq n PHE 784 Ca -0.10 -0.11 -0.25 0.00 -0.05 0.00 0.00 57.45 56.94 3iaq n PHE 784 Cb 0.50 -0.01 -0.11 0.00 -0.94 0.00 0.00 39.48 38.92 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 -0.73 2.37 0.12 4.37 -4.23 -1.26 -3.24 115.64 113.04 3iaq s THR 785 Ca 0.11 -2.20 0.06 0.00 -1.18 0.00 0.00 61.69 58.47 3iaq s THR 785 Cb 0.07 -2.19 -0.04 0.00 1.34 0.00 0.00 72.50 71.68 3iaq s THR 785 CO 0.10 -0.26 -0.14 0.00 -0.54 0.00 0.00 174.62 173.78 3iaq s ARG 786 N -3.07 1.01 -0.14 3.99 1.70 -1.26 -4.78 118.95 116.40 3iaq s ARG 786 Ca 0.25 -1.23 -0.30 0.00 -0.47 0.00 0.00 55.73 53.98 3iaq s ARG 786 Cb -0.06 -0.90 -0.08 0.00 -0.57 0.00 0.00 34.95 33.34 3iaq s ARG 786 CO 0.12 0.17 2.10 0.00 -1.08 0.00 0.00 175.30 176.62 3iaq n ALA 787 N 0.57 1.53 -1.68 7.88 0.00 -1.26 -4.83 120.51 122.71 3iaq n ALA 787 Ca -0.16 -0.02 -0.46 0.00 0.00 0.00 0.00 53.44 52.80 3iaq n ALA 787 Cb 0.57 -2.76 -0.04 0.00 0.00 0.00 0.00 19.45 17.22 3iaq n ALA 787 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3iaq n PRO 788 N 8.06 2.28 -1.58 0.00 -0.04 -1.26 -1.79 135.00 140.68 3iaq n PRO 788 Ca 0.27 0.83 -0.31 0.00 -0.04 0.00 0.00 63.50 64.25 3iaq n PRO 788 Cb 0.39 -2.65 0.05 0.00 -0.04 0.00 0.00 33.50 31.25 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 2.56 3.16 0.32 1.53 1.43 -1.26 -4.64 118.68 121.77 3iaq s LEU 789 Ca 0.85 1.67 0.10 0.00 -1.03 0.00 0.00 54.13 55.72 3iaq s LEU 789 Cb -0.65 -4.50 0.88 0.00 0.03 0.00 0.00 46.19 41.95 3iaq s LEU 789 CO 0.43 -1.50 1.74 0.44 0.23 0.00 0.00 176.35 177.70 3iaq h ASP 790 N -0.65 0.67 0.35 2.29 3.32 -1.88 0.20 116.42 120.72 3iaq h ASP 790 Ca -0.44 0.13 -0.06 0.00 0.02 0.00 0.00 57.03 56.67 3iaq h ASP 790 Cb 1.21 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 3iaq h ASP 790 CO 0.56 0.13 -0.30 0.78 -1.72 0.00 0.00 179.24 178.69 3iaq h ASN 791 N 0.59 0.00 0.45 6.45 2.35 -1.85 0.29 115.58 123.86 3iaq h ASN 791 Ca 0.63 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 56.22 3iaq h ASN 791 Cb 1.20 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.56 3iaq h ASN 791 CO -0.45 0.30 -0.70 0.44 -1.65 0.00 0.00 177.43 175.37 3iaq h ASP 792 N 0.00 0.25 0.03 5.81 3.32 -0.94 -3.35 116.42 121.54 3iaq h ASP 792 Ca -0.00 -0.17 -0.10 0.00 0.02 0.00 0.00 57.03 56.78 3iaq h ASP 792 Cb 0.55 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3iaq h ASP 792 CO 0.04 0.87 -0.50 0.40 -1.72 0.00 0.00 179.24 178.33 3iaq h ILE 793 N 0.14 1.51 0.00 0.35 2.04 -0.96 -1.38 117.51 119.22 3iaq h ILE 793 Ca -0.02 -2.34 0.00 0.00 1.00 0.00 0.00 64.86 63.50 3iaq h ILE 793 Cb 1.25 3.06 0.00 0.00 -0.74 0.00 0.00 36.82 40.39 3iaq h ILE 793 CO 0.11 0.57 0.00 0.61 0.00 0.00 0.00 178.15 179.43 3iaq n GLY 794 N 1.59 2.29 0.39 5.37 0.00 0.05 -2.50 105.19 112.39 3iaq n GLY 794 Ca -0.17 -0.34 0.13 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 -1.81 1.61 0.24 -1.26 -4.87 118.33 112.24 3iaq n VAL 795 Ca 0.00 -0.20 -0.41 0.00 -2.04 0.00 0.00 64.34 61.68 3iaq n VAL 795 Cb 0.00 0.62 -0.01 0.00 -1.47 0.00 0.00 33.84 32.98 3iaq n VAL 795 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3iaq s SER 796 N -2.33 6.39 0.13 -1.34 0.15 -1.04 -4.87 113.70 110.78 3iaq s SER 796 Ca 0.27 2.97 -0.01 0.00 0.70 0.00 0.00 55.95 59.89 3iaq s SER 796 Cb 0.20 -2.65 -0.04 0.00 -1.71 0.00 0.00 66.02 61.82 3iaq s SER 796 CO 0.46 -0.87 0.04 -1.61 1.20 0.00 0.00 173.24 172.46 3iaq s GLU 797 N -1.27 0.91 0.44 5.44 2.02 -0.62 -4.91 118.70 120.71 3iaq s GLU 797 Ca 0.58 -1.42 0.11 0.00 0.02 0.00 0.00 54.97 54.25 3iaq s GLU 797 Cb -0.47 0.21 0.96 0.00 0.10 0.00 0.00 34.13 34.94 3iaq s GLU 797 CO 0.55 -0.24 2.04 0.00 0.02 0.00 0.00 175.26 177.63 3iaq h ALA 798 N 2.88 1.73 0.00 5.21 0.00 -2.00 -2.40 119.26 124.69 3iaq h ALA 798 Ca -0.35 -0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.25 3iaq h ALA 798 Cb 1.19 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 3iaq h ALA 798 CO 0.60 0.21 -1.59 0.25 0.00 0.00 0.00 179.25 178.72 3iaq n THR 799 N -4.43 1.35 -3.61 0.00 -2.24 -1.26 -4.63 114.28 99.47 3iaq n THR 799 Ca -0.00 -0.74 -0.28 0.00 -2.27 0.00 0.00 64.05 60.76 3iaq n THR 799 Cb 0.14 -0.84 -0.12 0.00 -2.10 0.00 0.00 70.33 67.42 3iaq n THR 799 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3iaq s ARG 800 N -2.78 1.32 0.36 -0.78 3.52 -1.07 -5.12 118.95 114.41 3iaq s ARG 800 Ca -0.04 -2.26 -0.28 0.00 -0.13 0.00 0.00 55.73 53.02 3iaq s ARG 800 Cb 0.08 -2.12 -0.10 0.00 -1.56 0.00 0.00 34.95 31.25 3iaq s ARG 800 CO 0.82 -1.28 1.41 0.42 -0.81 0.00 0.00 175.30 175.86 3iaq s ILE 801 N -0.07 2.33 -0.51 4.11 -1.09 -0.93 -1.59 121.20 123.47 3iaq s ILE 801 Ca 0.25 0.33 -0.03 0.00 -2.23 0.00 0.00 60.65 58.97 3iaq s ILE 801 Cb -0.10 -3.21 0.13 0.00 -1.58 0.00 0.00 42.46 37.71 3iaq s ILE 801 CO -0.11 0.08 0.31 -0.62 -1.23 0.00 0.00 174.94 173.37 3iaq s ASP 802 N -0.32 5.24 0.39 3.58 2.15 -1.26 -4.86 116.67 121.59 3iaq s ASP 802 Ca 0.52 -2.40 0.26 0.00 0.43 0.00 0.00 52.55 51.35 3iaq s ASP 802 Cb -0.43 -1.84 1.40 0.00 -0.30 0.00 0.00 42.92 41.75 3iaq s ASP 802 CO 0.58 -0.47 1.79 1.55 -0.17 0.00 0.00 175.17 178.45 3iaq h PRO 803 N 7.59 0.00 0.00 4.34 0.13 -1.95 -1.27 132.00 140.84 3iaq h PRO 803 Ca -0.08 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.91 3iaq h PRO 803 Cb 1.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.11 3iaq h PRO 803 CO 0.71 0.00 -0.86 -0.97 -0.23 0.00 0.00 178.00 176.65 3iaq h ASN 804 N 0.00 0.00 -3.46 1.44 -1.24 -1.97 -3.39 115.58 106.97 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 0.01 0.00 0.09 0.00 0.73 0.00 0.00 38.32 39.16 3iaq h ASN 804 CO 0.00 0.59 0.83 0.00 -1.29 0.00 0.00 177.43 177.57 3iaq n ALA 805 N -2.30 2.43 -0.26 1.57 0.00 -0.48 -4.71 120.51 116.76 3iaq n ALA 805 Ca -0.02 0.36 0.07 0.00 0.00 0.00 0.00 53.44 53.85 3iaq n ALA 805 Cb 0.80 -2.44 0.20 0.00 0.00 0.00 0.00 19.45 18.01 3iaq n ALA 805 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 3iaq h TRP 806 N 4.15 0.30 -0.75 0.00 4.06 -1.79 -1.55 115.95 120.37 3iaq h TRP 806 Ca -0.48 0.04 -0.00 0.00 2.06 0.00 0.00 58.89 60.51 3iaq h TRP 806 Cb 1.23 -0.01 -0.04 0.00 -1.00 0.00 0.00 29.16 29.34 3iaq h TRP 806 CO 0.56 -0.10 0.45 -0.24 -3.56 0.00 0.00 178.44 175.56 3iaq h VAL 807 N 0.27 1.21 -0.29 1.49 3.04 -1.60 -1.82 116.25 118.56 3iaq h VAL 807 Ca 0.44 -0.46 -0.10 0.00 -1.01 0.00 0.00 66.70 65.57 3iaq h VAL 807 Cb 0.78 0.17 -0.01 0.00 -2.01 0.00 0.00 31.29 30.21 3iaq h VAL 807 CO -0.53 0.22 -0.26 -0.33 -1.01 0.00 0.00 177.57 175.66 3iaq h GLU 808 N 1.02 0.57 -0.51 4.17 4.39 -1.56 -0.07 114.58 122.59 3iaq h GLU 808 Ca 0.27 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 3iaq h GLU 808 Cb -0.04 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 3iaq h GLU 808 CO -0.05 0.78 0.24 0.00 -1.16 0.00 0.00 179.01 178.81 3iaq h ARG 809 N 0.50 0.74 -0.18 2.33 3.08 -1.03 0.14 114.38 119.96 3iaq h ARG 809 Ca 0.07 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 3iaq h ARG 809 Cb 0.71 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 3iaq h ARG 809 CO 0.05 0.62 -0.02 -1.49 -1.07 0.00 0.00 179.97 178.07 3iaq h TRP 810 N 0.68 0.37 -0.31 3.04 6.55 -1.09 -2.46 115.95 122.73 3iaq h TRP 810 Ca 0.17 -0.07 0.06 0.00 0.95 0.00 0.00 58.89 60.00 3iaq h TRP 810 Cb 0.13 -0.09 -0.05 0.00 -0.86 0.00 0.00 29.16 28.29 3iaq h TRP 810 CO -0.00 0.56 -0.01 0.87 -1.05 0.00 0.00 178.44 178.81 3iaq h LYS 811 N 0.07 0.08 0.00 0.49 1.57 -0.85 -1.06 116.57 116.87 3iaq h LYS 811 Ca 0.05 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 3iaq h LYS 811 Cb 0.42 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3iaq h LYS 811 CO 0.01 0.05 -0.22 0.00 -0.57 0.00 0.00 179.45 178.73 3iaq h ALA 812 N 1.27 1.21 -0.00 3.86 0.00 -0.70 -1.66 119.26 123.24 3iaq h ALA 812 Ca 0.15 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3iaq h ALA 812 Cb 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3iaq h ALA 812 CO -0.26 0.27 -0.27 0.00 0.00 0.00 0.00 179.25 178.99 3iaq n ALA 813 N -2.30 3.00 -0.75 0.00 0.00 -0.93 -4.95 120.51 114.58 3iaq n ALA 813 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3iaq n ALA 813 Cb 0.34 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.52 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 1.49 0.56 0.15 0.00 0.00 -0.62 -4.83 105.19 101.93 3iaq n GLY 814 Ca 0.07 -0.65 -0.08 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.25 0.00 1.61 -0.00 -1.43 -1.87 115.15 113.22 3iaq h HIS 815 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 3iaq h HIS 815 Cb 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 27.41 27.55 3iaq h HIS 815 CO 0.00 -0.16 0.00 1.88 -0.00 0.00 0.00 177.93 179.65 3iaq h TYR 816 N -0.09 0.00 -0.25 2.45 0.05 -1.89 -3.21 116.97 114.03 3iaq h TYR 816 Ca 0.10 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.67 3iaq h TYR 816 Cb 0.24 0.00 -0.24 0.00 1.01 0.00 0.00 36.73 37.74 3iaq h TYR 816 CO -0.25 0.00 -0.78 0.00 -1.05 0.00 0.00 178.16 176.08 3iaq n GLN 817 N -2.60 1.79 -2.96 4.88 10.64 -1.02 -5.05 117.38 123.06 3iaq n GLN 817 Ca 0.02 -3.28 -0.40 0.00 -1.83 0.00 0.00 57.00 51.51 3iaq n GLN 817 Cb 0.29 -1.44 -0.05 0.00 -0.86 0.00 0.00 30.24 28.18 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 -2.72 3.33 -0.15 2.61 0.00 -0.73 -4.97 121.76 119.12 3iaq s ALA 818 Ca 0.39 0.28 -0.08 0.00 0.00 0.00 0.00 51.96 52.55 3iaq s ALA 818 Cb 0.38 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 3iaq s ALA 818 CO -0.06 -0.02 0.13 -1.21 0.00 0.00 0.00 175.76 174.60 3iaq s GLU 819 N 0.31 3.74 -0.09 0.00 2.02 -1.23 -4.92 118.70 118.52 3iaq s GLU 819 Ca 0.40 -0.18 -0.30 0.00 0.02 0.00 0.00 54.97 54.92 3iaq s GLU 819 Cb -0.20 -3.27 -0.01 0.00 0.10 0.00 0.00 34.13 30.75 3iaq s GLU 819 CO 0.23 0.57 1.01 0.00 0.02 0.00 0.00 175.26 177.09 3iaq s ALA 820 N -0.44 3.37 -0.18 5.21 0.00 -1.26 -2.92 121.76 125.54 3iaq s ALA 820 Ca 0.12 0.40 -0.05 0.00 0.00 0.00 0.00 51.96 52.43 3iaq s ALA 820 Cb -0.12 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 3iaq s ALA 820 CO 0.01 -0.55 -0.00 0.00 0.00 0.00 0.00 175.76 175.22 3iaq s ALA 821 N 1.87 3.07 -0.16 0.00 0.00 0.13 -4.94 121.76 121.74 3iaq s ALA 821 Ca 0.49 -0.89 -0.29 0.00 0.00 0.00 0.00 51.96 51.27 3iaq s ALA 821 Cb -0.19 -1.71 -0.01 0.00 0.00 0.00 0.00 23.12 21.22 3iaq s ALA 821 CO 0.19 0.04 1.07 -1.17 0.00 0.00 0.00 175.76 175.89 3iaq s LEU 822 N 0.66 4.18 -0.17 0.00 2.96 -1.26 -0.40 118.68 124.65 3iaq s LEU 822 Ca -0.00 1.52 0.11 0.00 -0.22 0.00 0.00 54.13 55.53 3iaq s LEU 822 Cb -0.14 -3.55 -0.23 0.00 0.50 0.00 0.00 46.19 42.77 3iaq s LEU 822 CO 0.02 -0.59 0.16 0.18 -1.32 0.00 0.00 176.35 174.81 3iaq n LEU 823 N 5.73 1.15 -3.65 -0.68 4.77 0.13 -4.97 117.00 119.48 3iaq n LEU 823 Ca 0.11 0.08 -0.10 0.00 -0.03 0.00 0.00 56.01 56.06 3iaq n LEU 823 Cb 0.47 -0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.41 3iaq n LEU 823 CO 0.53 0.62 0.31 -1.58 -1.33 0.00 0.00 177.39 175.93 3iaq s GLN 824 N -2.53 0.69 -0.31 3.23 0.74 -1.09 -4.94 119.66 115.45 3iaq s GLN 824 Ca -0.16 1.04 0.00 0.00 0.05 0.00 0.00 55.36 56.29 3iaq s GLN 824 Cb 0.07 0.22 0.14 0.00 1.10 0.00 0.00 33.01 34.54 3iaq s GLN 824 CO 0.77 -0.13 0.31 0.00 -0.55 0.00 0.00 175.29 175.69 3iaq s THR 826 N 2.17 2.26 -0.06 0.00 -4.23 -0.24 -4.98 115.64 110.56 3iaq s THR 826 Ca 0.11 -1.96 0.04 0.00 -1.18 0.00 0.00 61.69 58.70 3iaq s THR 826 Cb -0.14 -2.05 0.00 0.00 1.34 0.00 0.00 72.50 71.65 3iaq s THR 826 CO -0.27 -0.10 -0.18 0.00 -0.54 0.00 0.00 174.62 173.53 3iaq s ALA 827 N -1.58 1.68 0.00 3.99 0.00 -1.26 -1.10 121.76 123.48 3iaq s ALA 827 Ca 0.19 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.45 3iaq s ALA 827 Cb -0.08 -0.61 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 3iaq s ALA 827 CO 0.09 0.26 -0.09 -0.51 0.00 0.00 0.00 175.76 175.50 3iaq s ASP 828 N 0.24 1.06 -0.23 0.00 1.11 0.38 -5.00 116.67 114.23 3iaq s ASP 828 Ca -0.10 -0.21 -0.11 0.00 0.18 0.00 0.00 52.55 52.31 3iaq s ASP 828 Cb -0.14 -0.10 -0.05 0.00 1.07 0.00 0.00 42.92 43.70 3iaq s ASP 828 CO 0.04 0.08 0.17 -0.89 1.18 0.00 0.00 175.17 175.75 3iaq s THR 829 N -0.34 5.36 0.43 -1.27 2.01 -1.26 -0.06 115.64 120.52 3iaq s THR 829 Ca 0.02 0.22 0.05 0.00 0.31 0.00 0.00 61.69 62.30 3iaq s THR 829 Cb -0.04 -3.51 0.08 0.00 0.01 0.00 0.00 72.50 69.04 3iaq s THR 829 CO -0.00 0.36 0.60 0.18 -0.69 0.00 0.00 174.62 175.07 3iaq n LEU 830 N 4.09 0.00 0.25 4.42 4.77 0.14 -4.99 117.00 125.67 3iaq n LEU 830 Ca -0.15 -1.67 0.09 0.00 -0.03 0.00 0.00 56.01 54.25 3iaq n LEU 830 Cb 0.52 -0.34 0.65 0.00 -2.33 0.00 0.00 43.42 41.92 3iaq n LEU 830 CO 0.36 -0.70 1.01 0.00 -1.33 0.00 0.00 177.39 176.73 3iaq h ALA 831 N 0.01 1.74 0.00 -1.18 0.00 -2.03 -3.33 119.26 114.47 3iaq h ALA 831 Ca -0.20 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3iaq h ALA 831 Cb 0.86 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3iaq h ALA 831 CO 0.26 0.10 0.00 -0.40 0.00 0.00 0.00 179.25 179.21 3iaq n ASP 832 N -4.25 0.05 -3.93 0.00 5.75 -1.26 -5.11 116.55 107.80 3iaq n ASP 832 Ca -0.03 -0.59 -0.10 0.00 -0.01 0.00 0.00 54.79 54.06 3iaq n ASP 832 Cb 0.16 0.04 -0.06 0.00 -1.03 0.00 0.00 41.12 40.23 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 -0.04 0.10 -0.06 2.12 0.00 -1.25 -3.63 121.76 119.00 3iaq s ALA 833 Ca 0.00 -1.09 0.03 0.00 0.00 0.00 0.00 51.96 50.90 3iaq s ALA 833 Cb 0.00 1.13 -0.03 0.00 0.00 0.00 0.00 23.12 24.22 3iaq s ALA 833 CO 0.00 -0.81 -0.12 0.08 0.00 0.00 0.00 175.76 174.92 3iaq s VAL 834 N -3.91 3.28 -0.14 0.00 1.01 -0.32 0.24 120.40 120.57 3iaq s VAL 834 Ca 0.26 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.61 3iaq s VAL 834 Cb 0.01 -2.31 0.02 0.00 0.00 0.00 0.00 36.38 34.10 3iaq s VAL 834 CO 0.11 0.59 -0.15 -0.22 0.00 0.00 0.00 175.10 175.43 3iaq s LEU 835 N -0.72 1.70 -0.16 3.92 2.96 0.91 -1.90 118.68 125.39 3iaq s LEU 835 Ca 0.11 -0.48 -0.04 0.00 -0.22 0.00 0.00 54.13 53.50 3iaq s LEU 835 Cb -0.11 -1.17 -0.03 0.00 0.50 0.00 0.00 46.19 45.38 3iaq s LEU 835 CO 0.01 -0.04 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.33 3iaq s ILE 836 N 1.40 3.83 -0.19 6.68 -1.09 0.18 -0.47 121.20 131.54 3iaq s ILE 836 Ca 0.03 -0.37 -0.01 0.00 -2.23 0.00 0.00 60.65 58.07 3iaq s ILE 836 Cb -0.13 -2.69 0.01 0.00 -1.58 0.00 0.00 42.46 38.07 3iaq s ILE 836 CO -0.09 0.48 -0.13 -0.89 -1.23 0.00 0.00 174.94 173.08 3iaq s THR 837 N 0.51 2.66 0.15 2.92 2.01 -0.26 0.61 115.64 124.24 3iaq s THR 837 Ca -0.03 -0.74 0.11 0.00 0.31 0.00 0.00 61.69 61.33 3iaq s THR 837 Cb -0.14 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 3iaq s THR 837 CO 0.03 0.49 -0.25 0.42 -0.69 0.00 0.00 174.62 174.62 3iaq s THR 838 N 1.28 2.20 -0.04 -0.82 -4.23 0.07 -1.08 115.64 113.02 3iaq s THR 838 Ca 0.04 -1.85 -0.02 0.00 -1.18 0.00 0.00 61.69 58.68 3iaq s THR 838 Cb -0.14 -1.98 0.03 0.00 1.34 0.00 0.00 72.50 71.75 3iaq s THR 838 CO -0.07 -0.03 0.08 0.00 -0.54 0.00 0.00 174.62 174.05 3iaq s ALA 839 N -1.36 0.07 -0.02 3.99 0.00 0.15 -0.21 121.76 124.38 3iaq s ALA 839 Ca 0.16 0.34 0.06 0.00 0.00 0.00 0.00 51.96 52.51 3iaq s ALA 839 Cb -0.09 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 3iaq s ALA 839 CO 0.07 -0.34 -0.18 -1.01 0.00 0.00 0.00 175.76 174.30 3iaq s HIS 840 N 1.73 1.65 -0.12 0.00 3.76 0.09 0.19 115.29 122.59 3iaq s HIS 840 Ca -0.01 -0.33 0.00 0.00 -0.15 0.00 0.00 55.06 54.57 3iaq s HIS 840 Cb -0.12 -1.06 -0.02 0.00 1.11 0.00 0.00 32.58 32.49 3iaq s HIS 840 CO -0.04 -0.04 -0.13 0.00 -0.85 0.00 0.00 174.74 173.69 3iaq s ALA 841 N -0.39 2.65 -0.38 -1.40 0.00 0.46 0.13 121.76 122.84 3iaq s ALA 841 Ca 0.06 -0.90 -0.14 0.00 0.00 0.00 0.00 51.96 50.98 3iaq s ALA 841 Cb -0.07 -1.19 0.01 0.00 0.00 0.00 0.00 23.12 21.86 3iaq s ALA 841 CO -0.00 0.30 0.28 -1.58 0.00 0.00 0.00 175.76 174.75 3iaq s TRP 842 N 0.17 3.24 0.00 0.00 0.51 0.10 0.21 118.94 123.17 3iaq s TRP 842 Ca -0.07 -0.44 0.07 0.00 -2.12 0.00 0.00 56.10 53.54 3iaq s TRP 842 Cb -0.15 -2.55 -0.03 0.00 -0.81 0.00 0.00 33.47 29.94 3iaq s TRP 842 CO 0.05 -0.50 -0.22 -0.65 -0.51 0.00 0.00 176.95 175.12 3iaq s GLN 843 N 1.70 2.11 -0.12 4.98 -0.21 -1.15 -0.02 119.66 126.96 3iaq s GLN 843 Ca 0.05 -0.93 -0.02 0.00 0.02 0.00 0.00 55.36 54.48 3iaq s GLN 843 Cb -0.18 -2.13 0.04 0.00 1.00 0.00 0.00 33.01 31.74 3iaq s GLN 843 CO 0.10 0.56 0.00 -1.58 -2.12 0.00 0.00 175.29 172.25 3iaq s HIS 844 N -0.75 0.90 -1.42 0.91 2.46 0.59 -3.53 115.29 114.46 3iaq s HIS 844 Ca 0.12 -0.48 -0.08 0.00 0.47 0.00 0.00 55.06 55.09 3iaq s HIS 844 Cb -0.10 -0.94 0.04 0.00 -0.13 0.00 0.00 32.58 31.46 3iaq s HIS 844 CO 0.01 -0.45 0.88 1.04 -2.47 0.00 0.00 174.74 173.76 3iaq n GLN 845 N 5.09 -5.48 -0.49 2.88 6.02 -1.26 -1.61 117.38 122.53 3iaq n GLN 845 Ca -0.08 0.63 0.00 0.00 -0.01 0.00 0.00 57.00 57.53 3iaq n GLN 845 Cb 0.49 -5.40 0.00 0.00 1.02 0.00 0.00 30.24 26.35 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 -1.66 1.90 3.69 1.08 0.00 -1.26 -5.00 105.19 103.94 3iaq n GLY 846 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.05 4.25 -0.36 1.61 2.47 -0.63 -5.05 119.74 121.98 3iaq s LYS 847 Ca 0.00 0.33 -0.23 0.00 -1.56 0.00 0.00 55.97 54.51 3iaq s LYS 847 Cb 0.00 -3.49 0.01 0.00 -1.46 0.00 0.00 37.83 32.89 3iaq s LYS 847 CO 0.00 0.04 0.77 0.99 0.16 0.00 0.00 175.35 177.31 3iaq s THR 848 N 1.04 4.74 -0.19 3.43 2.01 -1.26 -0.30 115.64 125.12 3iaq s THR 848 Ca 0.22 0.86 -0.21 0.00 0.31 0.00 0.00 61.69 62.87 3iaq s THR 848 Cb -0.15 -4.20 -0.21 0.00 0.01 0.00 0.00 72.50 67.95 3iaq s THR 848 CO 0.09 -0.43 0.30 -0.07 -0.69 0.00 0.00 174.62 173.82 3iaq h LEU 849 N 9.71 0.06 -8.07 4.42 3.38 -0.81 -3.43 115.31 120.56 3iaq h LEU 849 Ca -0.25 -0.61 -0.26 0.00 0.09 0.00 0.00 57.88 56.85 3iaq h LEU 849 Cb 1.09 -0.02 -0.23 0.00 0.09 0.00 0.00 40.66 41.60 3iaq h LEU 849 CO 0.91 1.48 -0.73 -0.36 0.09 0.00 0.00 178.44 179.83 3iaq s PHE 850 N -2.37 0.54 -0.15 1.13 0.08 -1.15 -2.10 117.98 113.96 3iaq s PHE 850 Ca -0.27 -0.42 -0.00 0.00 0.12 0.00 0.00 56.93 56.36 3iaq s PHE 850 Cb 0.05 -0.33 0.03 0.00 -0.57 0.00 0.00 43.02 42.20 3iaq s PHE 850 CO 0.63 -0.09 -0.07 0.42 -0.10 0.00 0.00 175.22 176.01 3iaq s ILE 851 N -1.14 1.14 -0.35 0.64 1.01 -0.83 0.03 121.20 121.71 3iaq s ILE 851 Ca -0.09 -0.52 -0.09 0.00 0.00 0.00 0.00 60.65 59.95 3iaq s ILE 851 Cb -0.08 -1.23 0.02 0.00 0.01 0.00 0.00 42.46 41.18 3iaq s ILE 851 CO 0.00 0.25 0.16 -0.55 0.00 0.00 0.00 174.94 174.80 3iaq s SER 852 N 1.64 5.53 -0.21 3.58 0.15 0.12 -0.61 113.70 123.90 3iaq s SER 852 Ca 0.03 -0.91 -0.08 0.00 0.70 0.00 0.00 55.95 55.68 3iaq s SER 852 Cb -0.14 -1.97 -0.04 0.00 -1.71 0.00 0.00 66.02 62.16 3iaq s SER 852 CO -0.08 -0.31 0.09 -0.13 1.20 0.00 0.00 173.24 174.00 3iaq s ARG 853 N 1.52 3.96 0.07 5.44 0.52 0.45 -0.73 118.95 130.17 3iaq s ARG 853 Ca 0.02 -0.34 0.04 0.00 -0.52 0.00 0.00 55.73 54.93 3iaq s ARG 853 Cb -0.19 -3.32 -0.03 0.00 0.52 0.00 0.00 34.95 31.94 3iaq s ARG 853 CO 0.05 0.16 -0.13 0.15 0.02 0.00 0.00 175.30 175.55 3iaq s LYS 854 N 0.72 0.76 -0.04 3.54 1.02 0.71 0.19 119.74 126.65 3iaq s LYS 854 Ca 0.05 -0.93 0.04 0.00 0.02 0.00 0.00 55.97 55.15 3iaq s LYS 854 Cb -0.13 -0.70 -0.00 0.00 -0.52 0.00 0.00 37.83 36.47 3iaq s LYS 854 CO 0.02 0.15 -0.17 0.95 -0.92 0.00 0.00 175.35 175.38 3iaq s THR 855 N -1.37 1.37 -0.13 2.17 -4.23 -0.61 -0.75 115.64 112.08 3iaq s THR 855 Ca -0.03 -0.70 -0.01 0.00 -1.18 0.00 0.00 61.69 59.78 3iaq s THR 855 Cb -0.10 -1.17 -0.02 0.00 1.34 0.00 0.00 72.50 72.56 3iaq s THR 855 CO 0.02 0.39 -0.11 -0.31 -0.54 0.00 0.00 174.62 174.07 3iaq s TYR 856 N -0.05 2.85 -0.23 3.99 1.51 0.20 -0.60 117.35 125.03 3iaq s TYR 856 Ca -0.01 -0.57 -0.01 0.00 -1.01 0.00 0.00 57.07 55.47 3iaq s TYR 856 Cb -0.10 -1.86 0.06 0.00 -0.11 0.00 0.00 41.96 39.95 3iaq s TYR 856 CO 0.01 -0.18 -0.00 0.50 -1.11 0.00 0.00 175.55 174.77 3iaq s ARG 857 N 0.35 1.18 -0.22 -0.62 3.52 0.61 -0.65 118.95 123.11 3iaq s ARG 857 Ca -0.10 -0.82 -0.06 0.00 -0.13 0.00 0.00 55.73 54.63 3iaq s ARG 857 Cb -0.16 -2.38 -0.02 0.00 -1.56 0.00 0.00 34.95 30.83 3iaq s ARG 857 CO 0.05 -0.66 0.02 0.42 -0.81 0.00 0.00 175.30 174.32 3iaq s ILE 858 N 1.57 3.98 0.00 4.11 1.01 -0.80 -0.36 121.20 130.72 3iaq s ILE 858 Ca -0.02 -0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.34 3iaq s ILE 858 Cb -0.18 -2.83 0.00 0.00 0.01 0.00 0.00 42.46 39.46 3iaq s ILE 858 CO -0.09 0.39 0.00 -0.90 0.00 0.00 0.00 174.94 174.34 3iaq n ASP 859 N 4.63 1.17 0.11 3.58 5.68 -1.08 -1.17 116.55 129.47 3iaq n ASP 859 Ca -0.17 -0.71 0.12 0.00 -0.50 0.00 0.00 54.79 53.53 3iaq n ASP 859 Cb 0.51 0.00 0.45 0.00 -1.14 0.00 0.00 41.12 40.95 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 5.00 -1.47 0.33 6.12 0.00 -1.24 -2.88 105.19 111.05 3iaq n GLY 860 Ca 0.00 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.21 1.03 -0.01 1.61 3.41 -1.26 -4.41 113.62 111.78 3iaq n SER 861 Ca 0.04 -1.45 -0.00 0.00 -0.26 0.00 0.00 58.87 57.20 3iaq n SER 861 Cb 0.32 -0.03 -0.00 0.00 -0.26 0.00 0.00 64.21 64.24 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 1.07 0.46 3.84 5.00 0.00 -1.14 -4.99 105.19 109.43 3iaq n GLY 862 Ca 0.18 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.29 3.90 -0.28 1.61 -0.21 -1.26 -4.63 119.66 118.50 3iaq s GLN 863 Ca 0.00 0.37 -0.03 0.00 0.02 0.00 0.00 55.36 55.73 3iaq s GLN 863 Cb 0.00 -3.12 0.03 0.00 1.00 0.00 0.00 33.01 30.93 3iaq s GLN 863 CO 0.00 0.62 -0.01 1.41 -2.12 0.00 0.00 175.29 175.19 3iaq s MET 864 N -1.45 2.72 -0.31 2.91 -2.45 0.13 -2.62 119.30 118.24 3iaq s MET 864 Ca 0.29 -1.07 -0.16 0.00 -1.25 0.00 0.00 55.69 53.50 3iaq s MET 864 Cb -0.16 -3.14 -0.02 0.00 1.25 0.00 0.00 34.83 32.76 3iaq s MET 864 CO 0.16 -0.50 0.40 0.00 1.05 0.00 0.00 175.02 176.13 3iaq s ALA 865 N 1.33 3.53 -0.16 4.11 0.00 0.51 0.33 121.76 131.41 3iaq s ALA 865 Ca -0.01 -0.97 -0.06 0.00 0.00 0.00 0.00 51.96 50.92 3iaq s ALA 865 Cb -0.18 -2.81 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 3iaq s ALA 865 CO -0.02 -0.90 0.04 0.42 0.00 0.00 0.00 175.76 175.30 3iaq s ILE 866 N 2.13 4.59 -0.24 0.00 1.01 0.21 -0.29 121.20 128.62 3iaq s ILE 866 Ca 0.15 -0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.70 3iaq s ILE 866 Cb -0.16 -3.03 0.05 0.00 0.01 0.00 0.00 42.46 39.33 3iaq s ILE 866 CO 0.11 0.50 -0.10 -0.89 0.00 0.00 0.00 174.94 174.56 3iaq s THR 867 N 0.06 1.89 -0.16 2.92 2.01 0.24 -0.94 115.64 121.65 3iaq s THR 867 Ca 0.04 -1.36 -0.05 0.00 0.31 0.00 0.00 61.69 60.63 3iaq s THR 867 Cb -0.12 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.34 3iaq s THR 867 CO 0.01 0.02 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.27 3iaq s VAL 868 N 1.25 4.15 -0.18 3.82 1.01 -0.64 -1.58 120.40 128.23 3iaq s VAL 868 Ca -0.06 -0.26 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 3iaq s VAL 868 Cb -0.19 -2.84 0.05 0.00 0.00 0.00 0.00 36.38 33.40 3iaq s VAL 868 CO -0.06 0.48 -0.06 -1.81 0.00 0.00 0.00 175.10 173.65 3iaq s ASP 869 N 0.39 3.11 -0.12 3.32 1.11 0.13 -2.32 116.67 122.29 3iaq s ASP 869 Ca -0.02 -0.80 -0.01 0.00 0.18 0.00 0.00 52.55 51.91 3iaq s ASP 869 Cb -0.14 -1.01 -0.02 0.00 1.07 0.00 0.00 42.92 42.82 3iaq s ASP 869 CO 0.02 -0.19 -0.10 -0.69 1.18 0.00 0.00 175.17 175.40 3iaq s VAL 870 N 1.55 3.39 -0.12 -1.27 1.01 -0.09 -0.41 120.40 124.46 3iaq s VAL 870 Ca -0.01 -0.55 -0.09 0.00 0.00 0.00 0.00 61.98 61.33 3iaq s VAL 870 Cb -0.16 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 3iaq s VAL 870 CO -0.08 0.53 0.19 -1.61 0.00 0.00 0.00 175.10 174.14 3iaq s GLU 871 N 0.11 3.70 -0.12 2.72 2.02 0.22 -0.56 118.70 126.79 3iaq s GLU 871 Ca -0.04 -0.04 0.01 0.00 0.02 0.00 0.00 54.97 54.92 3iaq s GLU 871 Cb -0.14 -3.25 0.02 0.00 0.10 0.00 0.00 34.13 30.85 3iaq s GLU 871 CO 0.04 0.64 -0.14 0.08 0.02 0.00 0.00 175.26 175.91 3iaq s VAL 872 N -0.69 1.43 0.26 2.63 1.01 0.13 -1.97 120.40 123.20 3iaq s VAL 872 Ca 0.15 -0.58 -0.31 0.00 0.00 0.00 0.00 61.98 61.25 3iaq s VAL 872 Cb -0.13 -1.33 -0.12 0.00 0.00 0.00 0.00 36.38 34.80 3iaq s VAL 872 CO 0.04 0.43 1.65 0.00 0.00 0.00 0.00 175.10 177.23 3iaq n ALA 873 N 4.47 2.65 0.28 5.51 0.00 -0.89 -4.62 120.51 127.90 3iaq n ALA 873 Ca -0.18 0.39 0.15 0.00 0.00 0.00 0.00 53.44 53.80 3iaq n ALA 873 Cb 0.51 -2.49 0.79 0.00 0.00 0.00 0.00 19.45 18.25 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 5.64 0.00 -0.02 0.00 4.64 -1.95 -2.88 113.55 118.98 3iaq h SER 874 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3iaq h SER 874 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3iaq h SER 874 CO 0.86 0.08 -0.17 -0.90 -0.87 0.00 0.00 176.83 175.84 3iaq n ASP 875 N -3.44 2.64 -4.83 4.97 5.75 -1.26 -4.88 116.55 115.49 3iaq n ASP 875 Ca -0.01 -1.82 -0.35 0.00 -0.01 0.00 0.00 54.79 52.60 3iaq n ASP 875 Cb 0.23 0.17 -0.06 0.00 -1.03 0.00 0.00 41.12 40.43 3iaq n ASP 875 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3iaq s THR 876 N -2.14 4.72 0.55 2.12 -1.32 -1.09 -5.04 115.64 113.43 3iaq s THR 876 Ca 0.24 1.02 -0.19 0.00 -1.21 0.00 0.00 61.69 61.55 3iaq s THR 876 Cb 0.19 -3.77 -0.08 0.00 -1.51 0.00 0.00 72.50 67.33 3iaq s THR 876 CO 0.39 0.17 0.65 -0.81 -2.21 0.00 0.00 174.62 172.81 3iaq n PRO 877 N 0.59 0.66 -1.98 7.08 -0.04 -1.26 -4.88 135.00 135.17 3iaq n PRO 877 Ca -0.03 0.25 -0.42 0.00 -0.04 0.00 0.00 63.50 63.27 3iaq n PRO 877 Cb 0.52 -1.80 -0.03 0.00 -0.04 0.00 0.00 33.50 32.15 3iaq n PRO 877 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3iaq s HIS 878 N -1.62 3.03 0.53 0.54 3.76 -1.26 -4.97 115.29 115.31 3iaq s HIS 878 Ca 0.69 0.86 -0.17 0.00 -0.15 0.00 0.00 55.06 56.29 3iaq s HIS 878 Cb -0.46 -3.87 -0.07 0.00 1.11 0.00 0.00 32.58 29.29 3iaq s HIS 878 CO 0.53 -2.99 1.01 -1.25 -0.85 0.00 0.00 174.74 171.20 3iaq s PRO 879 N 0.27 3.75 0.33 8.40 0.04 -1.26 -4.89 135.00 141.64 3iaq s PRO 879 Ca 0.64 1.09 0.04 0.00 0.04 0.00 0.00 61.00 62.81 3iaq s PRO 879 Cb -0.43 -2.10 0.57 0.00 0.04 0.00 0.00 34.50 32.58 3iaq s PRO 879 CO 0.38 -0.44 1.85 0.00 0.04 0.00 0.00 177.00 178.83 3iaq h ALA 880 N 0.92 1.33 -2.87 8.56 0.00 -1.92 -3.40 119.26 121.87 3iaq h ALA 880 Ca -0.47 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.18 3iaq h ALA 880 Cb 1.20 -0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.72 3iaq h ALA 880 CO 0.60 0.46 0.05 -0.98 0.00 0.00 0.00 179.25 179.38 3iaq s ARG 881 N -4.91 1.21 -0.35 0.00 1.70 -1.22 -0.57 118.95 114.81 3iaq s ARG 881 Ca -0.08 -0.66 -0.00 0.00 -0.47 0.00 0.00 55.73 54.52 3iaq s ARG 881 Cb 0.15 0.52 0.12 0.00 -0.57 0.00 0.00 34.95 35.17 3iaq s ARG 881 CO 0.77 -0.51 0.17 0.42 -1.08 0.00 0.00 175.30 175.07 3iaq s ILE 882 N -3.80 0.72 0.00 4.99 1.01 -0.12 -4.16 121.20 119.83 3iaq s ILE 882 Ca 0.04 -1.69 0.00 0.00 0.00 0.00 0.00 60.65 58.99 3iaq s ILE 882 Cb 0.00 -1.53 0.00 0.00 0.01 0.00 0.00 42.46 40.94 3iaq s ILE 882 CO -0.10 -0.82 0.00 0.61 0.00 0.00 0.00 174.94 174.63 3iaq n GLY 883 N 4.36 3.54 3.30 6.18 0.00 -1.01 -1.09 105.19 120.47 3iaq n GLY 883 Ca 0.04 -0.92 -0.21 0.00 0.00 0.00 0.00 46.02 44.92 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 2.42 0.08 0.99 1.43 0.11 -1.02 118.68 122.68 3iaq s LEU 884 Ca 0.00 -0.83 -0.07 0.00 -1.03 0.00 0.00 54.13 52.20 3iaq s LEU 884 Cb 0.00 -0.74 -0.01 0.00 0.03 0.00 0.00 46.19 45.47 3iaq s LEU 884 CO 0.00 -0.07 0.14 0.54 0.23 0.00 0.00 176.35 177.20 3iaq s ASN 885 N -2.53 0.19 0.06 2.29 4.22 0.58 -0.94 114.94 118.81 3iaq s ASN 885 Ca 0.13 -0.69 -0.28 0.00 -2.14 0.00 0.00 52.86 49.88 3iaq s ASN 885 Cb -0.06 0.30 0.09 0.00 1.28 0.00 0.00 41.25 42.87 3iaq s ASN 885 CO 0.05 -0.68 1.03 0.00 -2.04 0.00 0.00 177.10 175.45 3iaq s GLN 887 N -3.02 1.95 0.54 0.00 0.74 -1.18 -1.10 119.66 117.59 3iaq s GLN 887 Ca 0.11 -1.81 -0.21 0.00 0.05 0.00 0.00 55.36 53.51 3iaq s GLN 887 Cb -0.00 -3.52 -0.05 0.00 1.10 0.00 0.00 33.01 30.54 3iaq s GLN 887 CO -0.02 -1.04 1.22 -0.51 -0.55 0.00 0.00 175.29 174.40 3iaq s LEU 888 N 1.11 3.81 0.35 3.68 1.43 0.39 0.54 118.68 129.99 3iaq s LEU 888 Ca 0.08 2.43 0.19 0.00 -1.03 0.00 0.00 54.13 55.80 3iaq s LEU 888 Cb -0.22 -4.43 0.36 0.00 0.03 0.00 0.00 46.19 41.93 3iaq s LEU 888 CO -0.05 -1.38 1.58 0.00 0.23 0.00 0.00 176.35 176.74 3iaq h ALA 889 N 1.35 0.82 -2.79 4.21 0.00 -1.36 -1.30 119.26 120.19 3iaq h ALA 889 Ca -0.50 -0.33 -0.52 0.00 0.00 0.00 0.00 54.91 53.56 3iaq h ALA 889 Cb 1.28 -0.06 0.04 0.00 0.00 0.00 0.00 17.79 19.06 3iaq h ALA 889 CO 0.57 0.45 0.60 -1.14 0.00 0.00 0.00 179.25 179.73 3iaq s GLN 890 N -3.21 4.44 -0.27 0.00 2.00 -1.26 -4.59 119.66 116.77 3iaq s GLN 890 Ca 0.03 2.05 0.01 0.00 -2.00 0.00 0.00 55.36 55.46 3iaq s GLN 890 Cb 0.08 -3.14 0.08 0.00 0.80 0.00 0.00 33.01 30.82 3iaq s GLN 890 CO 0.70 -0.10 -0.01 0.08 -0.50 0.00 0.00 175.29 175.46 3iaq s VAL 891 N -0.74 1.65 0.34 1.34 1.01 -1.26 -3.21 120.40 119.53 3iaq s VAL 891 Ca 0.50 -1.55 0.08 0.00 0.00 0.00 0.00 61.98 61.01 3iaq s VAL 891 Cb -0.37 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 3iaq s VAL 891 CO 0.45 -0.31 0.25 0.00 0.00 0.00 0.00 175.10 175.49 3iaq s ALA 892 N 1.29 3.74 -0.10 5.51 0.00 -1.26 -5.07 121.76 125.87 3iaq s ALA 892 Ca 0.01 -1.72 -0.25 0.00 0.00 0.00 0.00 51.96 49.99 3iaq s ALA 892 Cb -0.19 -1.02 -0.28 0.00 0.00 0.00 0.00 23.12 21.63 3iaq s ALA 892 CO -0.10 0.01 0.81 0.93 0.00 0.00 0.00 175.76 177.41 3iaq h GLU 893 N 1.34 0.15 -6.33 0.00 5.08 -2.01 -3.43 114.58 109.38 3iaq h GLU 893 Ca -0.44 -0.25 -0.65 0.00 -1.00 0.00 0.00 59.36 57.02 3iaq h GLU 893 Cb 1.25 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 30.48 3iaq h GLU 893 CO 0.60 1.12 -0.65 1.03 -1.00 0.00 0.00 179.01 180.11 3iaq s ARG 894 N -2.33 2.58 -0.17 2.33 1.81 -1.26 -1.07 118.95 120.85 3iaq s ARG 894 Ca -0.17 -0.83 0.01 0.00 -1.72 0.00 0.00 55.73 53.02 3iaq s ARG 894 Cb -0.01 -2.56 0.01 0.00 -0.45 0.00 0.00 34.95 31.94 3iaq s ARG 894 CO 0.76 0.54 -0.17 0.08 -0.68 0.00 0.00 175.30 175.82 3iaq s VAL 895 N -1.34 2.40 -0.15 3.52 1.01 0.22 -4.60 120.40 121.46 3iaq s VAL 895 Ca 0.26 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.42 3iaq s VAL 895 Cb -0.12 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.27 3iaq s VAL 895 CO 0.19 0.52 -0.21 0.21 0.00 0.00 0.00 175.10 175.81 3iaq s ASN 896 N 1.04 3.09 0.01 3.32 3.84 -0.81 -0.61 114.94 124.83 3iaq s ASN 896 Ca -0.01 -0.62 -0.05 0.00 0.21 0.00 0.00 52.86 52.39 3iaq s ASN 896 Cb -0.15 -1.44 -0.00 0.00 -0.55 0.00 0.00 41.25 39.11 3iaq s ASN 896 CO -0.05 0.04 0.09 -1.66 -2.79 0.00 0.00 177.10 172.73 3iaq s TRP 897 N 1.02 0.10 -0.56 0.43 -2.14 -0.14 0.37 118.94 118.02 3iaq s TRP 897 Ca -0.02 -0.22 -0.12 0.00 2.66 0.00 0.00 56.10 58.40 3iaq s TRP 897 Cb -0.14 -0.08 0.14 0.00 -3.10 0.00 0.00 33.47 30.28 3iaq s TRP 897 CO -0.06 -0.25 0.47 -1.17 -2.66 0.00 0.00 176.95 173.28 3iaq s LEU 898 N -1.33 5.99 0.00 -4.66 2.96 0.28 -0.51 118.68 121.42 3iaq s LEU 898 Ca -0.14 -2.07 0.00 0.00 -0.22 0.00 0.00 54.13 51.70 3iaq s LEU 898 Cb -0.08 -2.10 0.00 0.00 0.50 0.00 0.00 46.19 44.51 3iaq s LEU 898 CO 0.01 -0.71 0.00 0.61 -1.32 0.00 0.00 176.35 174.94 3iaq n GLY 899 N 4.77 0.96 3.73 7.98 0.00 -1.01 0.50 105.19 122.11 3iaq n GLY 899 Ca -0.05 -0.47 -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 4.47 0.00 0.99 1.43 -1.06 -1.54 118.68 122.97 3iaq s LEU 900 Ca 0.00 1.86 0.00 0.00 -1.03 0.00 0.00 54.13 54.96 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 -0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.03 3iaq n GLY 901 N 2.39 0.69 0.12 -3.19 0.00 -0.25 -4.52 105.19 100.42 3iaq n GLY 901 Ca 0.04 -0.69 0.13 0.00 0.00 0.00 0.00 46.02 45.49 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 -6.85 1.61 0.13 -1.94 -1.24 132.00 123.71 3iaq h PRO 902 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 3iaq h PRO 902 Cb 0.00 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.16 3iaq h PRO 902 CO 0.00 0.00 0.03 -0.65 -0.23 0.00 0.00 178.00 177.15 3iaq s GLN 903 N -3.12 3.31 0.11 0.86 -0.21 -1.26 -5.01 119.66 114.33 3iaq s GLN 903 Ca 0.10 -0.07 -0.35 0.00 0.02 0.00 0.00 55.36 55.05 3iaq s GLN 903 Cb 0.11 -2.44 -0.17 0.00 1.00 0.00 0.00 33.01 31.51 3iaq s GLN 903 CO 0.62 -0.26 1.14 -1.91 -2.12 0.00 0.00 175.29 172.76 3iaq n GLU 904 N -2.21 0.77 -3.77 2.91 2.13 -1.26 -4.91 120.64 114.31 3iaq n GLU 904 Ca 0.01 0.28 -0.13 0.00 0.66 0.00 0.00 57.16 57.97 3iaq n GLU 904 Cb 0.56 -1.77 -0.10 0.00 0.27 0.00 0.00 31.44 30.40 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 0.05 -0.29 0.22 4.31 2.20 0.78 -4.89 114.94 117.31 3iaq s ASN 905 Ca 0.80 0.49 0.07 0.00 -0.94 0.00 0.00 52.86 53.29 3iaq s ASN 905 Cb -0.99 0.57 -0.05 0.00 -2.00 0.00 0.00 41.25 38.78 3iaq s ASN 905 CO 0.52 -0.20 -0.13 -0.31 -2.94 0.00 0.00 177.10 174.05 3iaq s TYR 906 N -0.22 1.74 0.28 1.54 1.51 -1.07 -3.83 117.35 117.29 3iaq s TYR 906 Ca -0.04 -0.60 0.02 0.00 -1.01 0.00 0.00 57.07 55.44 3iaq s TYR 906 Cb -0.03 -0.84 0.69 0.00 -0.11 0.00 0.00 41.96 41.67 3iaq s TYR 906 CO 0.01 0.33 1.66 -1.35 -1.11 0.00 0.00 175.55 175.10 3iaq h PRO 907 N 2.52 0.25 -0.47 -1.71 0.11 -1.85 0.28 132.00 131.13 3iaq h PRO 907 Ca -0.38 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3iaq h PRO 907 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3iaq h PRO 907 CO 0.63 0.16 0.00 -0.40 -0.21 0.00 0.00 178.00 178.18 3iaq n ASP 908 N -5.18 2.55 -2.93 -2.05 5.75 -1.26 -4.35 116.55 109.08 3iaq n ASP 908 Ca 0.21 -1.99 -0.14 0.00 -0.01 0.00 0.00 54.79 52.86 3iaq n ASP 908 Cb 0.66 -0.31 0.02 0.00 -1.03 0.00 0.00 41.12 40.45 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 0.89 0.85 -0.17 0.11 0.63 0.96 0.74 116.66 120.68 3iaq n ARG 909 Ca 0.16 -2.44 0.02 0.00 -0.92 0.00 0.00 57.85 54.67 3iaq n ARG 909 Cb 0.40 -1.34 0.03 0.00 0.45 0.00 0.00 32.46 32.00 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 1.04 0.83 0.09 6.15 -0.00 -0.99 -2.61 117.00 121.51 3iaq n LEU 910 Ca 0.14 -1.29 -0.07 0.00 -0.00 0.00 0.00 56.01 54.80 3iaq n LEU 910 Cb 0.63 -0.08 0.05 0.00 -0.00 0.00 0.00 43.42 44.02 3iaq n LEU 910 CO 0.10 0.31 0.36 0.71 -0.00 0.00 0.00 177.39 178.87 3iaq h THR 911 N 3.14 1.46 -0.08 1.47 1.35 -1.92 -3.13 112.91 115.19 3iaq h THR 911 Ca 0.00 -2.35 -0.14 0.00 -0.55 0.00 0.00 66.41 63.36 3iaq h THR 911 Cb 1.04 2.27 -0.01 0.00 -1.73 0.00 0.00 68.15 69.71 3iaq h THR 911 CO 0.00 0.69 -0.58 0.00 -0.25 0.00 0.00 175.52 175.37 3iaq h ALA 912 N 1.10 0.86 -2.59 6.62 0.00 -1.88 -3.45 119.26 119.92 3iaq h ALA 912 Ca -0.02 -0.53 -0.52 0.00 0.00 0.00 0.00 54.91 53.83 3iaq h ALA 912 Cb 1.32 -0.09 0.14 0.00 0.00 0.00 0.00 17.79 19.16 3iaq h ALA 912 CO 0.11 0.71 0.38 0.00 0.00 0.00 0.00 179.25 180.46 3iaq s ALA 913 N -3.80 2.24 0.04 0.00 0.00 -1.19 -5.00 121.76 114.05 3iaq s ALA 913 Ca -0.04 0.74 0.06 0.00 0.00 0.00 0.00 51.96 52.72 3iaq s ALA 913 Cb 0.12 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 3iaq s ALA 913 CO 0.80 -1.66 -0.18 0.00 0.00 0.00 0.00 175.76 174.72 3iaq s PHE 915 N -0.80 2.88 0.12 0.00 5.36 -1.26 -1.10 117.98 123.19 3iaq s PHE 915 Ca 0.05 1.01 -0.25 0.00 -0.96 0.00 0.00 56.93 56.78 3iaq s PHE 915 Cb -0.08 -3.79 0.08 0.00 -0.34 0.00 0.00 43.02 38.89 3iaq s PHE 915 CO 0.01 -1.35 1.07 0.34 -1.46 0.00 0.00 175.22 173.84 3iaq s ASP 916 N 2.27 -0.07 -0.23 6.13 -1.08 -0.59 -4.92 116.67 118.18 3iaq s ASP 916 Ca 0.52 -0.45 -0.29 0.00 -0.52 0.00 0.00 52.55 51.81 3iaq s ASP 916 Cb -0.15 0.41 0.00 0.00 -1.46 0.00 0.00 42.92 41.72 3iaq s ASP 916 CO 0.19 -0.78 1.15 -0.60 0.52 0.00 0.00 175.17 175.65 3iaq s ARG 917 N -2.60 4.18 0.04 4.34 6.06 -1.26 -2.41 118.95 127.29 3iaq s ARG 917 Ca 0.18 1.40 0.07 0.00 -2.50 0.00 0.00 55.73 54.88 3iaq s ARG 917 Cb -0.01 -3.73 -0.03 0.00 0.06 0.00 0.00 34.95 31.25 3iaq s ARG 917 CO 0.02 -0.76 -0.20 -1.58 -2.50 0.00 0.00 175.30 170.28 3iaq s TRP 918 N 3.51 2.50 -0.10 5.12 0.52 0.34 -4.99 118.94 125.84 3iaq s TRP 918 Ca 0.49 -0.30 -0.01 0.00 0.02 0.00 0.00 56.10 56.30 3iaq s TRP 918 Cb -0.17 -1.45 0.03 0.00 -1.15 0.00 0.00 33.47 30.73 3iaq s TRP 918 CO 0.12 0.21 -0.00 0.34 0.02 0.00 0.00 176.95 177.64 3iaq s ASP 919 N -1.33 1.94 0.06 2.95 -1.08 -1.26 -0.96 116.67 116.99 3iaq s ASP 919 Ca 0.14 -0.26 0.03 0.00 -0.52 0.00 0.00 52.55 51.93 3iaq s ASP 919 Cb -0.10 -0.54 -0.03 0.00 -1.46 0.00 0.00 42.92 40.79 3iaq s ASP 919 CO 0.04 -0.20 -0.08 -0.76 0.52 0.00 0.00 175.17 174.68 3iaq s LEU 920 N 1.91 2.32 0.40 -1.34 1.43 0.22 -4.95 118.68 118.67 3iaq s LEU 920 Ca 0.04 -0.66 -0.26 0.00 -1.03 0.00 0.00 54.13 52.21 3iaq s LEU 920 Cb -0.13 -0.20 -0.09 0.00 0.03 0.00 0.00 46.19 45.80 3iaq s LEU 920 CO -0.06 -0.24 1.36 -2.16 0.23 0.00 0.00 176.35 175.47 3iaq s PRO 921 N -2.11 3.96 0.37 1.29 0.04 -1.26 0.69 135.00 137.98 3iaq s PRO 921 Ca -0.04 2.28 0.18 0.00 0.04 0.00 0.00 61.00 63.46 3iaq s PRO 921 Cb -0.07 -2.79 1.14 0.00 0.04 0.00 0.00 34.50 32.82 3iaq s PRO 921 CO -0.00 -0.54 1.68 1.25 0.04 0.00 0.00 177.00 179.42 3iaq h LEU 922 N 2.71 0.46 -1.56 -3.56 5.85 -1.38 0.27 115.31 118.11 3iaq h LEU 922 Ca -0.50 0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.34 3iaq h LEU 922 Cb 1.25 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 3iaq h LEU 922 CO 0.63 -0.08 -0.18 0.77 -0.34 0.00 0.00 178.44 179.23 3iaq h SER 923 N 0.31 0.00 1.00 1.25 4.64 -1.90 -2.17 113.55 116.68 3iaq h SER 923 Ca 0.72 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 62.00 3iaq h SER 923 Cb 1.79 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.87 3iaq h SER 923 CO -0.50 0.18 -0.16 0.44 -0.87 0.00 0.00 176.83 175.92 3iaq h ASP 924 N 0.00 0.00 0.25 4.97 3.32 -1.30 -2.61 116.42 121.05 3iaq h ASP 924 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3iaq h ASP 924 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3iaq h ASP 924 CO 0.02 0.16 0.00 0.23 -1.72 0.00 0.00 179.24 177.93 3iaq n MET 925 N -3.30 0.51 -4.84 3.56 2.81 -0.82 -4.67 117.12 110.37 3iaq n MET 925 Ca 0.00 0.04 -0.33 0.00 -1.81 0.00 0.00 57.70 55.61 3iaq n MET 925 Cb 0.41 -1.50 -0.14 0.00 -0.71 0.00 0.00 33.22 31.28 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 -2.33 2.75 -0.31 2.03 5.04 -0.99 -4.35 117.35 119.20 3iaq s TYR 926 Ca 0.28 -0.38 -0.08 0.00 -2.44 0.00 0.00 57.07 54.46 3iaq s TYR 926 Cb 0.16 -1.73 0.01 0.00 0.35 0.00 0.00 41.96 40.75 3iaq s TYR 926 CO 0.32 0.01 0.11 0.99 -1.34 0.00 0.00 175.55 175.64 3iaq s THR 927 N -0.24 4.15 -1.55 4.34 2.01 -1.26 -4.96 115.64 118.13 3iaq s THR 927 Ca 0.01 -0.71 -0.10 0.00 0.31 0.00 0.00 61.69 61.21 3iaq s THR 927 Cb -0.13 -3.18 -0.08 0.00 0.01 0.00 0.00 72.50 69.12 3iaq s THR 927 CO 0.03 0.01 2.85 -0.81 -0.69 0.00 0.00 174.62 176.01 3iaq n PRO 928 N 4.90 3.50 -1.80 4.92 -0.04 -1.26 -4.88 135.00 140.34 3iaq n PRO 928 Ca -0.14 -2.14 -0.42 0.00 -0.04 0.00 0.00 63.50 60.76 3iaq n PRO 928 Cb 0.48 -2.79 -0.03 0.00 -0.04 0.00 0.00 33.50 31.12 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 2.35 2.78 0.23 0.54 2.02 -1.26 -4.90 117.35 119.11 3iaq s TYR 929 Ca 0.66 0.36 -0.07 0.00 -0.37 0.00 0.00 57.07 57.65 3iaq s TYR 929 Cb 0.17 -4.07 0.37 0.00 -0.40 0.00 0.00 41.96 38.03 3iaq s TYR 929 CO -0.06 -4.12 1.71 0.28 -1.57 0.00 0.00 175.55 171.79 3iaq h VAL 930 N 4.10 0.63 -3.58 0.71 2.07 -1.95 -3.14 116.25 115.09 3iaq h VAL 930 Ca -0.43 -0.11 -0.63 0.00 0.82 0.00 0.00 66.70 66.34 3iaq h VAL 930 Cb 1.20 0.28 -0.13 0.00 -1.52 0.00 0.00 31.29 31.12 3iaq h VAL 930 CO 0.94 0.06 0.35 0.12 0.02 0.00 0.00 177.57 179.06 3iaq s PHE 931 N -6.07 2.98 0.32 1.57 5.36 -1.26 0.26 117.98 121.14 3iaq s PHE 931 Ca -0.13 0.11 -0.29 0.00 -0.96 0.00 0.00 56.93 55.66 3iaq s PHE 931 Cb 0.19 -3.67 -0.10 0.00 -0.34 0.00 0.00 43.02 39.09 3iaq s PHE 931 CO 0.75 -1.01 1.41 -2.14 -1.46 0.00 0.00 175.22 172.76 3iaq s PRO 932 N 3.29 4.25 0.34 10.12 0.02 -1.19 -4.96 135.00 146.88 3iaq s PRO 932 Ca 0.29 2.35 -0.09 0.00 0.02 0.00 0.00 61.00 63.57 3iaq s PRO 932 Cb -0.12 -3.05 0.04 0.00 0.02 0.00 0.00 34.50 31.38 3iaq s PRO 932 CO 0.22 -0.37 0.61 -1.13 -0.33 0.00 0.00 177.00 176.00 3iaq n SER 933 N 1.20 -1.75 -4.62 2.53 3.41 -1.26 -4.68 113.62 108.45 3iaq n SER 933 Ca 0.03 -2.51 -0.49 0.00 -0.26 0.00 0.00 58.87 55.64 3iaq n SER 933 Cb 0.40 3.00 -0.05 0.00 -0.26 0.00 0.00 64.21 67.31 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 -0.49 1.58 -3.79 4.33 4.07 -0.74 -4.94 120.64 120.67 3iaq n GLU 934 Ca -0.05 0.57 -0.08 0.00 -0.06 0.00 0.00 57.16 57.54 3iaq n GLU 934 Cb 0.52 -2.23 -0.02 0.00 -0.06 0.00 0.00 31.44 29.65 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 0.52 -0.30 -0.29 4.31 2.20 -1.26 -4.91 114.94 115.20 3iaq s ASN 935 Ca 0.79 -0.52 0.00 0.00 -0.94 0.00 0.00 52.86 52.18 3iaq s ASN 935 Cb -0.81 0.68 0.00 0.00 -2.00 0.00 0.00 41.25 39.12 3iaq s ASN 935 CO 0.45 -1.24 0.00 0.61 -2.94 0.00 0.00 177.10 173.98 3iaq n GLY 936 N -0.43 0.53 3.76 0.45 0.00 -1.26 -4.81 105.19 103.44 3iaq n GLY 936 Ca -0.07 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.63 3.87 -0.07 0.99 2.96 -1.26 -4.54 118.68 120.00 3iaq s LEU 937 Ca 0.00 2.43 0.02 0.00 -0.22 0.00 0.00 54.13 56.36 3iaq s LEU 937 Cb 0.00 -4.36 0.02 0.00 0.50 0.00 0.00 46.19 42.34 3iaq s LEU 937 CO 0.00 -1.27 -0.10 -0.13 -1.32 0.00 0.00 176.35 173.53 3iaq s ARG 938 N -2.95 1.49 0.53 1.98 3.00 0.16 -0.16 118.95 123.00 3iaq s ARG 938 Ca 0.70 -0.33 0.07 0.00 0.00 0.00 0.00 55.73 56.17 3iaq s ARG 938 Cb -0.32 -1.30 0.05 0.00 0.00 0.00 0.00 34.95 33.39 3iaq s ARG 938 CO 0.37 -0.03 0.72 0.00 0.00 0.00 0.00 175.30 176.37 3iaq n GLY 940 N -2.16 -0.49 3.75 0.00 0.00 -1.15 -2.55 105.19 102.59 3iaq n GLY 940 Ca 0.12 0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.88 4.89 -0.06 2.61 2.01 0.06 -4.09 115.64 118.17 3iaq s THR 941 Ca 0.34 1.36 0.15 0.00 0.31 0.00 0.00 61.69 63.85 3iaq s THR 941 Cb -0.18 -3.99 -0.23 0.00 0.01 0.00 0.00 72.50 68.11 3iaq s THR 941 CO 0.42 0.38 0.26 0.54 -0.69 0.00 0.00 174.62 175.53 3iaq n ARG 942 N 2.90 0.83 -3.72 4.92 5.12 0.18 -1.50 116.66 125.39 3iaq n ARG 942 Ca -0.05 -0.10 -0.13 0.00 -1.93 0.00 0.00 57.85 55.64 3iaq n ARG 942 Cb 0.51 -1.39 -0.13 0.00 -1.16 0.00 0.00 32.46 30.29 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 -2.88 0.19 -0.09 5.56 2.12 -1.14 -1.53 118.70 120.93 3iaq s GLU 943 Ca -0.06 0.55 0.04 0.00 0.36 0.00 0.00 54.97 55.85 3iaq s GLU 943 Cb 0.08 -0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.36 3iaq s GLU 943 CO 0.66 -0.18 -0.22 -1.17 -0.54 0.00 0.00 175.26 173.81 3iaq s LEU 944 N 1.39 2.02 -0.13 2.70 2.96 0.26 -0.56 118.68 127.31 3iaq s LEU 944 Ca -0.08 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.33 3iaq s LEU 944 Cb -0.11 -1.31 0.02 0.00 0.50 0.00 0.00 46.19 45.29 3iaq s LEU 944 CO -0.08 0.15 -0.16 0.20 -1.32 0.00 0.00 176.35 175.13 3iaq s ASN 945 N 0.34 2.66 -0.21 3.68 0.01 0.16 -1.15 114.94 120.42 3iaq s ASN 945 Ca -0.17 -0.49 -0.06 0.00 -0.71 0.00 0.00 52.86 51.43 3iaq s ASN 945 Cb -0.17 -1.20 0.10 0.00 0.41 0.00 0.00 41.25 40.39 3iaq s ASN 945 CO 0.08 0.01 0.43 -0.47 -1.51 0.00 0.00 177.10 175.63 3iaq s TYR 946 N 1.11 -0.85 0.00 2.20 5.04 -0.88 -1.92 117.35 122.05 3iaq s TYR 946 Ca -0.03 1.49 0.00 0.00 -2.44 0.00 0.00 57.07 56.09 3iaq s TYR 946 Cb -0.14 0.30 0.00 0.00 0.35 0.00 0.00 41.96 42.47 3iaq s TYR 946 CO -0.05 -0.53 0.00 0.41 -1.34 0.00 0.00 175.55 174.04 3iaq n GLY 947 N 5.39 3.22 0.01 8.97 0.00 -1.26 -1.73 105.19 119.80 3iaq n GLY 947 Ca -0.08 -0.19 0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 13.80 0.04 -3.20 1.61 -0.04 -1.26 -4.93 135.00 141.02 3iaq n PRO 948 Ca 0.00 0.03 -0.37 0.00 -0.04 0.00 0.00 63.50 63.12 3iaq n PRO 948 Cb 0.00 -1.54 -0.06 0.00 -0.04 0.00 0.00 33.50 31.86 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 -3.02 3.70 -0.06 0.54 3.76 -0.70 -0.71 115.29 118.80 3iaq s HIS 949 Ca 0.13 1.30 0.02 0.00 -0.15 0.00 0.00 55.06 56.36 3iaq s HIS 949 Cb 0.18 -2.54 0.01 0.00 1.11 0.00 0.00 32.58 31.34 3iaq s HIS 949 CO 0.56 0.44 -0.10 -1.14 -0.85 0.00 0.00 174.74 173.65 3iaq s GLN 950 N -1.69 1.41 -0.02 1.40 0.74 0.12 -2.07 119.66 119.55 3iaq s GLN 950 Ca 0.38 -0.33 0.04 0.00 0.05 0.00 0.00 55.36 55.50 3iaq s GLN 950 Cb -0.18 -1.21 -0.03 0.00 1.10 0.00 0.00 33.01 32.69 3iaq s GLN 950 CO 0.21 0.01 -0.13 -1.58 -0.55 0.00 0.00 175.29 173.25 3iaq s TRP 951 N 0.68 2.73 0.01 1.67 0.51 -0.30 0.00 118.94 124.24 3iaq s TRP 951 Ca -0.13 -0.14 0.02 0.00 -2.12 0.00 0.00 56.10 53.74 3iaq s TRP 951 Cb -0.15 -1.59 -0.01 0.00 -0.81 0.00 0.00 33.47 30.91 3iaq s TRP 951 CO 0.03 0.26 -0.08 1.03 -0.51 0.00 0.00 176.95 177.68 3iaq s ARG 952 N -1.09 0.57 0.00 4.98 0.52 0.93 -0.58 118.95 124.29 3iaq s ARG 952 Ca 0.14 -0.42 0.00 0.00 -0.52 0.00 0.00 55.73 54.92 3iaq s ARG 952 Cb -0.11 -0.51 0.00 0.00 0.52 0.00 0.00 34.95 34.86 3iaq s ARG 952 CO 0.04 0.13 0.00 0.41 0.02 0.00 0.00 175.30 175.89 3iaq n GLY 953 N 2.44 -0.44 2.49 -3.53 0.00 -0.58 -0.46 105.19 105.10 3iaq n GLY 953 Ca -0.16 -0.49 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 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 2.83 0.23 1.61 2.15 -1.25 -4.05 116.67 114.19 3iaq s ASP 954 Ca 0.00 -2.09 -0.02 0.00 0.43 0.00 0.00 52.55 50.88 3iaq s ASP 954 Cb 0.00 -0.31 -0.03 0.00 -0.30 0.00 0.00 42.92 42.28 3iaq s ASP 954 CO 0.00 -0.31 0.21 0.72 -0.17 0.00 0.00 175.17 175.62 3iaq s PHE 955 N 1.16 1.11 0.02 -5.34 -0.12 -0.56 -4.86 117.98 109.39 3iaq s PHE 955 Ca 0.17 -1.31 0.05 0.00 -0.05 0.00 0.00 56.93 55.80 3iaq s PHE 955 Cb -0.22 -0.45 -0.03 0.00 -0.63 0.00 0.00 43.02 41.69 3iaq s PHE 955 CO -0.01 -0.74 -0.14 -0.65 -0.05 0.00 0.00 175.22 173.63 3iaq s GLN 956 N -4.01 2.28 0.00 1.99 -1.52 0.75 -0.76 119.66 118.38 3iaq s GLN 956 Ca 0.36 -0.87 -0.05 0.00 -1.95 0.00 0.00 55.36 52.86 3iaq s GLN 956 Cb 0.05 -2.31 -0.00 0.00 -0.22 0.00 0.00 33.01 30.52 3iaq s GLN 956 CO 0.14 0.57 0.09 -0.59 -0.25 0.00 0.00 175.29 175.24 3iaq s PHE 957 N -0.94 0.08 0.16 0.91 -0.71 0.37 0.52 117.98 118.37 3iaq s PHE 957 Ca 0.15 -0.18 0.06 0.00 -1.04 0.00 0.00 56.93 55.93 3iaq s PHE 957 Cb -0.11 -0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.59 3iaq s PHE 957 CO 0.06 -0.22 -0.14 0.54 -1.34 0.00 0.00 175.22 174.12 3iaq s ASN 958 N -1.18 2.23 -0.16 1.98 2.20 -0.84 0.36 114.94 119.53 3iaq s ASN 958 Ca -0.13 -0.94 -0.07 0.00 -0.94 0.00 0.00 52.86 50.79 3iaq s ASN 958 Cb -0.07 -0.09 0.07 0.00 -2.00 0.00 0.00 41.25 39.16 3iaq s ASN 958 CO 0.01 -0.19 0.36 -0.51 -2.94 0.00 0.00 177.10 173.83 3iaq s ILE 959 N -2.70 -0.34 0.34 0.54 2.07 -1.26 -1.74 121.20 118.10 3iaq s ILE 959 Ca 0.16 0.17 -0.16 0.00 -1.41 0.00 0.00 60.65 59.41 3iaq s ILE 959 Cb -0.02 -0.56 0.04 0.00 0.13 0.00 0.00 42.46 42.05 3iaq s ILE 959 CO 0.04 0.07 0.73 -0.94 -1.91 0.00 0.00 174.94 172.93 3iaq s SER 960 N 2.06 -0.02 0.00 4.50 1.04 -0.82 -4.52 113.70 115.94 3iaq s SER 960 Ca -0.04 -0.99 0.13 0.00 0.48 0.00 0.00 55.95 55.53 3iaq s SER 960 Cb -0.11 0.79 0.40 0.00 0.10 0.00 0.00 66.02 67.20 3iaq s SER 960 CO -0.11 -1.53 1.32 0.54 0.98 0.00 0.00 173.24 174.44 3iaq n ARG 961 N -0.50 1.85 -5.15 4.02 5.12 -1.26 -0.51 116.66 120.22 3iaq n ARG 961 Ca -0.06 -1.31 -0.31 0.00 -1.93 0.00 0.00 57.85 54.24 3iaq n ARG 961 Cb 0.60 -1.31 -0.17 0.00 -1.16 0.00 0.00 32.46 30.42 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 -1.55 2.32 0.67 -1.55 2.02 -1.26 -0.44 117.35 117.57 3iaq s TYR 962 Ca 0.26 -0.81 -0.11 0.00 -0.37 0.00 0.00 57.07 56.05 3iaq s TYR 962 Cb 0.14 -1.55 -0.01 0.00 -0.40 0.00 0.00 41.96 40.14 3iaq s TYR 962 CO 0.19 -0.29 1.05 -1.54 -1.57 0.00 0.00 175.55 173.39 3iaq s SER 963 N 0.11 5.62 0.28 2.29 1.04 -1.26 -4.78 113.70 117.01 3iaq s SER 963 Ca -0.10 1.58 -0.03 0.00 0.48 0.00 0.00 55.95 57.87 3iaq s SER 963 Cb -0.15 -2.49 0.38 0.00 0.10 0.00 0.00 66.02 63.86 3iaq s SER 963 CO 0.06 -1.28 1.95 1.56 0.98 0.00 0.00 173.24 176.51 3iaq h GLN 964 N -0.54 1.17 -0.42 4.02 1.08 -2.00 -1.81 115.11 116.61 3iaq h GLN 964 Ca -0.44 -0.07 0.01 0.00 -1.45 0.00 0.00 58.65 56.70 3iaq h GLN 964 Cb 1.21 -0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 28.35 3iaq h GLN 964 CO 0.58 0.78 0.26 0.37 -0.95 0.00 0.00 178.83 179.87 3iaq h GLN 965 N 1.21 0.51 -0.30 1.46 4.15 -1.99 -1.42 115.11 118.73 3iaq h GLN 965 Ca 0.34 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.65 3iaq h GLN 965 Cb -0.12 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.45 3iaq h GLN 965 CO -0.08 0.34 -0.11 0.37 -1.93 0.00 0.00 178.83 177.42 3iaq h GLN 966 N 0.53 0.61 -0.84 1.69 4.15 -1.87 -2.38 115.11 116.99 3iaq h GLN 966 Ca 0.16 -0.25 0.08 0.00 0.77 0.00 0.00 58.65 59.42 3iaq h GLN 966 Cb -0.02 -0.02 -0.07 0.00 0.21 0.00 0.00 27.48 27.58 3iaq h GLN 966 CO -0.06 0.82 0.50 -0.07 -1.93 0.00 0.00 178.83 178.09 3iaq h LEU 967 N 0.36 0.74 -0.28 -2.39 3.38 -1.18 -1.94 115.31 114.00 3iaq h LEU 967 Ca 0.07 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3iaq h LEU 967 Cb 0.62 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3iaq h LEU 967 CO 0.04 0.44 0.00 0.00 0.09 0.00 0.00 178.44 179.01 3iaq h MET 968 N 0.86 0.00 0.00 1.13 -0.00 -1.15 -3.22 114.93 112.55 3iaq h MET 968 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.09 3iaq h MET 968 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.90 3iaq h MET 968 CO -0.22 0.00 -0.79 0.39 -0.00 0.00 0.00 176.91 176.29 3iaq n GLU 969 N -3.02 0.06 -4.19 -0.10 1.02 -0.91 -4.90 120.64 108.60 3iaq n GLU 969 Ca 0.03 -0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.82 3iaq n GLU 969 Cb 0.48 -1.52 -0.09 0.00 -0.02 0.00 0.00 31.44 30.28 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 -3.04 4.56 -0.13 2.62 2.01 -0.78 -5.01 115.64 115.88 3iaq s THR 970 Ca 0.08 -0.13 0.17 0.00 0.31 0.00 0.00 61.69 62.12 3iaq s THR 970 Cb 0.16 -2.99 -0.22 0.00 0.01 0.00 0.00 72.50 69.46 3iaq s THR 970 CO 0.78 0.54 0.47 -1.54 -0.69 0.00 0.00 174.62 174.19 3iaq n SER 971 N 2.78 0.41 -4.11 3.53 3.41 -1.26 -4.21 113.62 114.18 3iaq n SER 971 Ca -0.18 0.19 -0.26 0.00 -0.26 0.00 0.00 58.87 58.36 3iaq n SER 971 Cb 0.53 0.72 -0.16 0.00 -0.26 0.00 0.00 64.21 65.04 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 -2.81 1.66 0.50 7.33 3.76 -1.26 -4.24 115.29 120.23 3iaq s HIS 972 Ca -0.07 -0.52 0.17 0.00 -0.15 0.00 0.00 55.06 54.50 3iaq s HIS 972 Cb 0.08 -1.14 1.23 0.00 1.11 0.00 0.00 32.58 33.86 3iaq s HIS 972 CO 0.84 -0.20 2.07 0.07 -0.85 0.00 0.00 174.74 176.67 3iaq h ARG 973 N 6.43 0.12 0.00 1.40 0.11 -0.39 -2.09 114.38 119.95 3iaq h ARG 973 Ca -0.31 -0.01 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 0.48 0.08 0.00 -2.39 0.10 0.00 0.00 179.97 178.23 3iaq n HIS 974 N -4.48 0.90 1.34 4.08 1.44 -1.26 -2.41 115.22 114.83 3iaq n HIS 974 Ca 0.03 0.32 0.13 0.00 -2.01 0.00 0.00 57.72 56.19 3iaq n HIS 974 Cb 0.28 -1.01 0.42 0.00 0.12 0.00 0.00 29.99 29.79 3iaq n HIS 974 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3iaq n LEU 975 N -2.29 1.36 -4.76 2.39 4.77 -0.79 -4.92 117.00 112.77 3iaq n LEU 975 Ca 0.03 -0.42 -0.40 0.00 -0.03 0.00 0.00 56.01 55.19 3iaq n LEU 975 Cb 0.31 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.30 3iaq n LEU 975 CO 0.24 0.24 0.85 -0.76 -1.33 0.00 0.00 177.39 176.63 3iaq s LEU 976 N -2.26 4.51 -0.05 2.23 1.43 -1.01 -5.05 118.68 118.48 3iaq s LEU 976 Ca 0.30 2.38 0.05 0.00 -1.03 0.00 0.00 54.13 55.83 3iaq s LEU 976 Cb 0.20 -3.63 -0.01 0.00 0.03 0.00 0.00 46.19 42.78 3iaq s LEU 976 CO 0.43 -0.26 -0.20 -1.38 0.23 0.00 0.00 176.35 175.16 3iaq s HIS 977 N -1.06 2.01 0.03 0.29 -3.43 -1.26 -5.10 115.29 106.78 3iaq s HIS 977 Ca 0.46 -0.60 -0.30 0.00 -0.80 0.00 0.00 55.06 53.82 3iaq s HIS 977 Cb -0.34 -1.34 -0.08 0.00 -1.43 0.00 0.00 32.58 29.38 3iaq s HIS 977 CO 0.44 -0.20 1.90 0.00 -2.00 0.00 0.00 174.74 174.88 3iaq s ALA 978 N -0.01 3.61 0.84 -1.38 0.00 -1.26 -4.85 121.76 118.70 3iaq s ALA 978 Ca -0.05 1.27 -0.12 0.00 0.00 0.00 0.00 51.96 53.07 3iaq s ALA 978 Cb -0.13 -3.82 0.10 0.00 0.00 0.00 0.00 23.12 19.27 3iaq s ALA 978 CO 0.03 -1.50 1.12 -1.21 0.00 0.00 0.00 175.76 174.20 3iaq s GLU 979 N 4.21 1.72 0.03 0.00 2.02 0.42 -4.99 118.70 122.12 3iaq s GLU 979 Ca 0.85 0.42 -0.30 0.00 0.02 0.00 0.00 54.97 55.96 3iaq s GLU 979 Cb -0.41 -1.90 -0.06 0.00 0.10 0.00 0.00 34.13 31.86 3iaq s GLU 979 CO 0.39 -1.82 1.32 -2.00 0.02 0.00 0.00 175.26 173.17 3iaq s GLU 980 N -5.27 4.34 1.92 1.61 2.12 -1.26 -4.79 118.70 117.37 3iaq s GLU 980 Ca 0.62 1.91 0.00 0.00 0.36 0.00 0.00 54.97 57.86 3iaq s GLU 980 Cb -0.14 -3.44 0.00 0.00 0.26 0.00 0.00 34.13 30.81 3iaq s GLU 980 CO 0.53 -0.45 0.00 0.41 -0.54 0.00 0.00 175.26 175.21 3iaq n GLY 981 N 3.47 -1.55 2.89 -1.50 0.00 -1.26 -4.88 105.19 102.36 3iaq n GLY 981 Ca 0.11 -1.32 -0.25 0.00 0.00 0.00 0.00 46.02 44.57 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 0.85 0.02 2.61 2.01 -0.49 -4.71 115.64 115.92 3iaq s THR 982 Ca 0.00 -0.21 -0.30 0.00 0.31 0.00 0.00 61.69 61.49 3iaq s THR 982 Cb 0.00 -0.88 -0.03 0.00 0.01 0.00 0.00 72.50 71.60 3iaq s THR 982 CO 0.00 0.33 0.99 0.26 -0.69 0.00 0.00 174.62 175.51 3iaq s TRP 983 N 1.52 3.66 -0.08 4.92 0.52 0.33 -0.47 118.94 129.34 3iaq s TRP 983 Ca 0.00 1.68 0.04 0.00 0.02 0.00 0.00 56.10 57.85 3iaq s TRP 983 Cb -0.13 -3.13 -0.00 0.00 -1.15 0.00 0.00 33.47 29.05 3iaq s TRP 983 CO -0.05 -0.07 -0.23 -1.17 0.02 0.00 0.00 176.95 175.45 3iaq s LEU 984 N 0.91 2.05 -0.22 2.99 2.96 -0.26 -1.95 118.68 125.16 3iaq s LEU 984 Ca 0.52 -0.52 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 3iaq s LEU 984 Cb -0.22 -1.35 0.04 0.00 0.50 0.00 0.00 46.19 45.17 3iaq s LEU 984 CO 0.28 0.17 -0.14 0.20 -1.32 0.00 0.00 176.35 175.55 3iaq s ASN 985 N 0.22 3.84 -0.29 3.68 0.01 -0.71 -2.05 114.94 119.63 3iaq s ASN 985 Ca -0.14 -1.06 -0.05 0.00 -0.71 0.00 0.00 52.86 50.90 3iaq s ASN 985 Cb -0.17 -1.48 0.02 0.00 0.41 0.00 0.00 41.25 40.04 3iaq s ASN 985 CO 0.07 -0.12 0.03 -0.63 -1.51 0.00 0.00 177.10 174.95 3iaq s ILE 986 N 1.21 3.51 -0.18 0.60 1.01 -0.11 -1.98 121.20 125.26 3iaq s ILE 986 Ca -0.03 -0.93 -0.06 0.00 0.00 0.00 0.00 60.65 59.63 3iaq s ILE 986 Cb -0.17 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.41 3iaq s ILE 986 CO -0.08 0.06 0.03 -1.81 0.00 0.00 0.00 174.94 173.13 3iaq s ASP 987 N 1.41 5.29 0.25 3.58 1.01 0.18 0.04 116.67 128.44 3iaq s ASP 987 Ca 0.00 -0.02 0.02 0.00 0.71 0.00 0.00 52.55 53.26 3iaq s ASP 987 Cb -0.18 -1.90 0.32 0.00 1.01 0.00 0.00 42.92 42.18 3iaq s ASP 987 CO 0.00 0.15 1.65 1.23 0.21 0.00 0.00 175.17 178.41 3iaq h GLY 988 N 6.83 0.50 -5.36 0.21 0.00 -1.38 0.22 103.07 104.08 3iaq h GLY 988 Ca -0.35 -0.47 -0.17 0.00 0.00 0.00 0.00 47.33 46.34 3iaq h GLY 988 CO 0.67 0.43 -0.45 -1.36 0.00 0.00 0.00 176.54 175.82 3iaq s PHE 989 N -4.27 -0.25 0.00 5.60 0.08 -1.05 -4.69 117.98 113.40 3iaq s PHE 989 Ca -0.06 0.61 0.04 0.00 0.12 0.00 0.00 56.93 57.63 3iaq s PHE 989 Cb 0.13 0.09 -0.01 0.00 -0.57 0.00 0.00 43.02 42.65 3iaq s PHE 989 CO 0.80 -0.12 -0.11 -1.58 -0.10 0.00 0.00 175.22 174.10 3iaq s HIS 990 N 0.10 1.02 0.49 0.36 2.46 -1.26 -0.95 115.29 117.51 3iaq s HIS 990 Ca -0.00 -0.23 -0.20 0.00 0.47 0.00 0.00 55.06 55.10 3iaq s HIS 990 Cb -0.02 -0.64 -0.08 0.00 -0.13 0.00 0.00 32.58 31.71 3iaq s HIS 990 CO 0.00 -0.01 1.03 1.41 -2.47 0.00 0.00 174.74 174.70 3iaq s MET 991 N -0.49 3.80 1.02 2.88 1.75 0.27 -4.76 119.30 123.77 3iaq s MET 991 Ca 0.03 1.29 -0.14 0.00 -1.25 0.00 0.00 55.69 55.62 3iaq s MET 991 Cb -0.05 -2.10 0.11 0.00 2.84 0.00 0.00 34.83 35.63 3iaq s MET 991 CO -0.00 -0.42 0.49 0.41 -0.65 0.00 0.00 175.02 174.84 3iaq n GLY 992 N -0.46 -1.90 0.01 2.11 0.00 -0.02 -4.71 105.19 100.22 3iaq n GLY 992 Ca 0.09 -0.81 0.11 0.00 0.00 0.00 0.00 46.02 45.40 3iaq n GLY 992 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3iaq n ILE 993 N -4.12 0.01 -4.45 -0.61 -5.35 -1.26 -4.96 119.36 98.62 3iaq n ILE 993 Ca 0.05 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.14 3iaq n ILE 993 Cb 0.56 0.19 0.00 0.00 -1.74 0.00 0.00 39.64 38.65 3iaq n ILE 993 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3iaq n GLY 994 N 1.31 -0.63 0.00 3.28 0.00 -1.26 -4.74 105.19 103.15 3iaq n GLY 994 Ca -0.02 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 0.00 0.04 0.33 -0.02 0.00 -1.26 -0.90 105.19 103.38 3iaq n GLY 995 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 0.60 -5.58 1.61 3.32 -1.80 -1.02 116.42 113.54 3iaq h ASP 996 Ca 0.00 0.12 -0.30 0.00 0.02 0.00 0.00 57.03 56.86 3iaq h ASP 996 Cb 0.00 0.02 -0.09 0.00 0.22 0.00 0.00 39.33 39.49 3iaq h ASP 996 CO 0.00 0.17 -0.24 1.51 -1.72 0.00 0.00 179.24 178.96 3iaq s ASP 997 N -5.33 1.02 -0.13 6.45 1.47 -1.26 -4.07 116.67 114.82 3iaq s ASP 997 Ca -0.11 -1.52 0.15 0.00 1.18 0.00 0.00 52.55 52.24 3iaq s ASP 997 Cb 0.25 0.65 0.30 0.00 -0.34 0.00 0.00 42.92 43.77 3iaq s ASP 997 CO 0.79 -1.26 1.15 -1.20 0.68 0.00 0.00 175.17 175.33 3iaq n SER 998 N -1.42 1.78 0.00 2.11 7.64 -1.26 -4.63 113.62 117.84 3iaq n SER 998 Ca 0.02 -3.12 0.00 0.00 1.01 0.00 0.00 58.87 56.78 3iaq n SER 998 Cb 0.62 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 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 -1.03 0.00 -3.64 1.43 2.14 -1.26 -4.05 117.44 111.03 3iaq n TRP 999 Ca 0.14 -0.21 -0.11 0.00 2.07 0.00 0.00 57.50 59.40 3iaq n TRP 999 Cb 0.70 -0.02 -0.05 0.00 -0.81 0.00 0.00 31.31 31.13 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 -0.41 -0.24 0.02 -0.67 1.04 -1.26 -4.49 113.70 107.69 3iaq s SER 1000Ca 0.00 -0.27 -0.33 0.00 0.48 0.00 0.00 55.95 55.83 3iaq s SER 1000Cb 0.00 0.46 -0.12 0.00 0.10 0.00 0.00 66.02 66.46 3iaq s SER 1000CO 0.00 -0.82 1.80 -2.65 0.98 0.00 0.00 173.24 172.56 3iaq n PRO 1001N -0.10 2.34 0.00 4.02 -0.02 -1.26 -4.81 135.00 135.17 3iaq n PRO 1001Ca -0.16 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3iaq n PRO 1001Cb 0.63 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 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 5.72 0.58 -4.67 2.55 3.41 -1.26 -5.01 113.62 114.93 3iaq n SER 1002Ca 0.20 -0.88 -0.43 0.00 -0.26 0.00 0.00 58.87 57.50 3iaq n SER 1002Cb 0.32 0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.13 4.09 0.59 -3.33 1.01 -1.26 -4.43 120.40 116.94 3iaq s VAL 1003Ca 0.00 1.36 -0.19 0.00 0.00 0.00 0.00 61.98 63.15 3iaq s VAL 1003Cb 0.00 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 3iaq s VAL 1003CO 0.00 -0.09 1.20 -0.55 0.00 0.00 0.00 175.10 175.67 3iaq s SER 1004N 2.10 5.23 0.34 3.32 0.15 -1.26 -4.89 113.70 118.70 3iaq s SER 1004Ca 0.59 2.38 0.08 0.00 0.70 0.00 0.00 55.95 59.70 3iaq s SER 1004Cb -0.25 -2.60 0.80 0.00 -1.71 0.00 0.00 66.02 62.26 3iaq s SER 1004CO 0.20 -1.56 1.84 0.00 1.20 0.00 0.00 173.24 174.91 3iaq h ALA 1005N 0.93 1.80 0.00 5.45 0.00 -1.96 -1.30 119.26 124.18 3iaq h ALA 1005Ca -0.50 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3iaq h ALA 1005Cb 1.30 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3iaq h ALA 1005CO 0.55 -0.08 0.00 -0.85 0.00 0.00 0.00 179.25 178.87 3iaq n GLU 1006N -4.61 0.20 -0.35 0.00 0.00 -1.26 -2.27 120.64 112.36 3iaq n GLU 1006Ca 0.19 0.42 0.08 0.00 0.00 0.00 0.00 57.16 57.85 3iaq n GLU 1006Cb 0.51 -1.88 0.24 0.00 0.00 0.00 0.00 31.44 30.31 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 -2.26 0.85 -3.75 -1.84 3.72 -0.49 -4.95 117.46 108.73 3iaq n PHE 1007Ca 0.02 -0.60 -0.36 0.00 -0.05 0.00 0.00 57.45 56.46 3iaq n PHE 1007Cb 0.24 -0.13 -0.06 0.00 -0.94 0.00 0.00 39.48 38.60 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 -1.54 3.60 -1.08 -1.08 -0.21 -0.96 -0.84 119.66 117.55 3iaq s GLN 1008Ca 0.36 0.01 -0.20 0.00 0.02 0.00 0.00 55.36 55.55 3iaq s GLN 1008Cb 0.23 -3.15 0.08 0.00 1.00 0.00 0.00 33.01 31.17 3iaq s GLN 1008CO 0.18 0.70 1.44 -0.51 -2.12 0.00 0.00 175.29 174.99 3iaq s LEU 1009N -1.35 4.02 0.00 2.90 1.43 -1.26 -4.70 118.68 119.73 3iaq s LEU 1009Ca 0.22 -1.92 0.03 0.00 -1.03 0.00 0.00 54.13 51.43 3iaq s LEU 1009Cb -0.14 -2.52 -0.01 0.00 0.03 0.00 0.00 46.19 43.55 3iaq s LEU 1009CO 0.11 -1.28 0.26 -1.54 0.23 0.00 0.00 176.35 174.13 3iaq n SER 1010N 8.02 0.47 -0.21 2.29 3.41 -1.26 -4.20 113.62 122.14 3iaq n SER 1010Ca 0.35 -0.73 0.21 0.00 -0.26 0.00 0.00 58.87 58.44 3iaq n SER 1010Cb 0.49 0.70 0.58 0.00 -0.26 0.00 0.00 64.21 65.72 3iaq n SER 1010CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iaq h ALA 1011N 0.45 2.39 0.00 7.33 0.00 -1.98 -3.46 119.26 123.99 3iaq h ALA 1011Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3iaq h ALA 1011Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3iaq h ALA 1011CO 0.00 -0.65 0.00 0.41 0.00 0.00 0.00 179.25 179.01 3iaq n GLY 1012N -1.58 2.53 3.43 0.00 0.00 -1.26 -4.95 105.19 103.36 3iaq n GLY 1012Ca 0.18 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.28 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 3.56 0.00 1.61 0.52 -1.26 0.23 118.95 123.61 3iaq s ARG 1013Ca 0.00 -0.56 0.06 0.00 -0.52 0.00 0.00 55.73 54.71 3iaq s ARG 1013Cb 0.00 -2.95 -0.02 0.00 0.52 0.00 0.00 34.95 32.50 3iaq s ARG 1013CO 0.00 0.07 -0.20 0.71 0.02 0.00 0.00 175.30 175.90 3iaq s TYR 1014N 0.80 1.77 -0.05 -0.53 1.51 0.28 -4.99 117.35 116.14 3iaq s TYR 1014Ca -0.01 -0.35 0.02 0.00 -1.01 0.00 0.00 57.07 55.72 3iaq s TYR 1014Cb -0.15 -1.11 0.02 0.00 -0.11 0.00 0.00 41.96 40.61 3iaq s TYR 1014CO 0.02 0.01 -0.08 -1.58 -1.11 0.00 0.00 175.55 172.80 3iaq s HIS 1015N -0.58 1.08 0.03 2.71 2.46 -1.26 -0.91 115.29 118.81 3iaq s HIS 1015Ca 0.07 -0.35 -0.11 0.00 0.47 0.00 0.00 55.06 55.14 3iaq s HIS 1015Cb -0.08 -0.84 0.01 0.00 -0.13 0.00 0.00 32.58 31.54 3iaq s HIS 1015CO 0.00 -0.22 0.23 1.52 -2.47 0.00 0.00 174.74 173.80 3iaq s TYR 1016N 0.73 -0.01 0.01 3.88 -0.85 -0.98 -5.05 117.35 115.08 3iaq s TYR 1016Ca -0.12 -0.13 0.02 0.00 -0.52 0.00 0.00 57.07 56.31 3iaq s TYR 1016Cb -0.15 0.01 -0.01 0.00 0.38 0.00 0.00 41.96 42.20 3iaq s TYR 1016CO 0.02 -0.43 -0.06 1.14 -1.52 0.00 0.00 175.55 174.71 3iaq s GLN 1017N -2.27 0.45 -0.03 -3.49 -2.07 -1.26 -1.62 119.66 109.37 3iaq s GLN 1017Ca -0.07 -0.30 0.01 0.00 -1.82 0.00 0.00 55.36 53.18 3iaq s GLN 1017Cb -0.02 -0.39 0.01 0.00 -1.09 0.00 0.00 33.01 31.52 3iaq s GLN 1017CO -0.02 0.10 -0.05 -0.51 -1.32 0.00 0.00 175.29 173.49 3iaq s LEU 1018N -0.41 1.58 -0.34 2.60 1.43 -0.12 -4.33 118.68 119.10 3iaq s LEU 1018Ca -0.00 -0.11 -0.08 0.00 -1.03 0.00 0.00 54.13 52.90 3iaq s LEU 1018Cb -0.04 -0.37 0.02 0.00 0.03 0.00 0.00 46.19 45.84 3iaq s LEU 1018CO -0.00 -0.01 0.13 -0.69 0.23 0.00 0.00 176.35 176.02 3iaq s VAL 1019N 0.51 4.16 -0.18 -1.59 1.01 0.39 0.68 120.40 125.37 3iaq s VAL 1019Ca -0.06 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 60.95 3iaq s VAL 1019Cb -0.10 -3.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 3iaq s VAL 1019CO -0.00 -0.10 0.18 0.86 0.00 0.00 0.00 175.10 176.03 3iaq s TRP 1020N 1.50 3.44 0.26 5.22 -0.11 0.15 -0.05 118.94 129.35 3iaq s TRP 1020Ca 0.01 0.43 -0.05 0.00 1.22 0.00 0.00 56.10 57.71 3iaq s TRP 1020Cb -0.19 -2.20 0.02 0.00 -1.50 0.00 0.00 33.47 29.60 3iaq s TRP 1020CO 0.04 0.31 0.43 0.00 -4.62 0.00 0.00 176.95 173.11 3iaq s GLN 1022N -2.38 2.81 0.00 0.00 0.74 -1.26 0.11 119.66 119.68 3iaq s GLN 1022Ca 0.17 -1.23 0.00 0.00 0.05 0.00 0.00 55.36 54.36 3iaq s GLN 1022Cb -0.02 -2.54 0.00 0.00 1.10 0.00 0.00 33.01 31.55 3iaq s GLN 1022CO 0.12 0.12 0.00 0.36 -0.55 0.00 0.00 175.29 175.34