#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iw6 n ARG 5 N 0.00 2.07 -1.66 3.44 0.63 -1.26 -4.99 116.66 114.89 3iw6 n ARG 5 Ca 0.00 0.74 -0.32 0.00 -0.92 0.00 0.00 57.85 57.35 3iw6 n ARG 5 Cb 0.00 -2.42 0.05 0.00 0.45 0.00 0.00 32.46 30.54 3iw6 n ARG 5 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 3iw6 s PRO 6 N -0.16 2.74 0.08 -0.14 0.02 -1.26 -5.03 135.00 131.25 3iw6 s PRO 6 Ca 0.70 1.29 -0.27 0.00 0.02 0.00 0.00 61.00 62.74 3iw6 s PRO 6 Cb -0.65 -1.95 -0.06 0.00 0.02 0.00 0.00 34.50 31.86 3iw6 s PRO 6 CO 0.47 -1.28 0.86 0.99 -0.33 0.00 0.00 177.00 177.71 3iw6 s THR 7 N -2.53 4.61 0.18 0.99 2.01 -1.26 -4.96 115.64 114.67 3iw6 s THR 7 Ca 0.65 1.84 0.04 0.00 0.31 0.00 0.00 61.69 64.53 3iw6 s THR 7 Cb -0.19 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.07 3iw6 s THR 7 CO 0.45 0.35 0.24 -0.36 -0.69 0.00 0.00 174.62 174.60 3iw6 s PHE 8 N -0.06 3.33 0.10 4.92 0.40 -1.26 -1.01 117.98 124.39 3iw6 s PHE 8 Ca 0.42 0.03 0.02 0.00 -0.60 0.00 0.00 56.93 56.81 3iw6 s PHE 8 Cb -0.22 -1.58 -0.04 0.00 0.51 0.00 0.00 43.02 41.70 3iw6 s PHE 8 CO 0.26 0.51 -0.08 1.52 0.70 0.00 0.00 175.22 178.14 3iw6 s TYR 9 N -1.81 0.95 0.22 0.36 -0.85 -0.61 -4.89 117.35 110.71 3iw6 s TYR 9 Ca 0.33 -0.84 0.10 0.00 -0.52 0.00 0.00 57.07 56.15 3iw6 s TYR 9 Cb -0.10 -0.53 -0.04 0.00 0.38 0.00 0.00 41.96 41.66 3iw6 s TYR 9 CO 0.26 -0.10 -0.15 1.03 -1.52 0.00 0.00 175.55 175.08 3iw6 s ARG 10 N -3.57 1.85 -0.18 -3.49 0.52 -1.26 -1.90 118.95 110.92 3iw6 s ARG 10 Ca 0.10 -1.47 -0.29 0.00 -0.52 0.00 0.00 55.73 53.56 3iw6 s ARG 10 Cb 0.03 -1.98 0.11 0.00 0.52 0.00 0.00 34.95 33.62 3iw6 s ARG 10 CO -0.03 0.39 0.90 1.14 0.02 0.00 0.00 175.30 177.73 3iw6 s GLN 11 N -3.04 0.70 0.21 3.54 -2.07 -0.97 -5.00 119.66 113.04 3iw6 s GLN 11 Ca 0.26 0.37 -0.24 0.00 -1.82 0.00 0.00 55.36 53.92 3iw6 s GLN 11 Cb -0.07 0.34 -0.08 0.00 -1.09 0.00 0.00 33.01 32.10 3iw6 s GLN 11 CO 0.14 -0.18 0.80 -1.21 -1.32 0.00 0.00 175.29 173.52 3iw6 s GLU 12 N -0.65 4.51 -0.14 9.60 2.02 -1.26 -1.76 118.70 131.02 3iw6 s GLU 12 Ca -0.02 1.13 -0.04 0.00 0.02 0.00 0.00 54.97 56.05 3iw6 s GLU 12 Cb -0.02 -3.10 0.07 0.00 0.10 0.00 0.00 34.13 31.18 3iw6 s GLU 12 CO 0.02 0.48 0.22 -0.51 0.02 0.00 0.00 175.26 175.48 3iw6 s LEU 13 N -1.50 -0.16 -1.30 1.80 1.02 0.13 -4.92 118.68 113.75 3iw6 s LEU 13 Ca 0.40 0.21 -0.02 0.00 0.02 0.00 0.00 54.13 54.74 3iw6 s LEU 13 Cb -0.21 0.45 0.01 0.00 0.02 0.00 0.00 46.19 46.46 3iw6 s LEU 13 CO 0.25 -0.27 0.89 0.59 0.02 0.00 0.00 176.35 177.82 3iw6 n ASN 14 N 5.33 -2.39 0.00 2.29 4.13 -1.26 -2.61 115.26 120.75 3iw6 n ASN 14 Ca -0.05 -0.71 0.00 0.00 1.68 0.00 0.00 54.58 55.49 3iw6 n ASN 14 Cb 0.50 -4.53 0.00 0.00 -1.54 0.00 0.00 39.78 34.21 3iw6 n ASN 14 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 3iw6 n LYS 15 N -4.34 0.00 -4.15 3.52 0.00 -1.26 -4.99 118.16 106.93 3iw6 n LYS 15 Ca -0.23 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.74 3iw6 n LYS 15 Cb 0.65 -2.13 -0.10 0.00 -0.00 0.00 0.00 35.03 33.45 3iw6 n LYS 15 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 3iw6 s THR 16 N -3.65 4.53 -0.03 0.58 2.01 -1.07 -5.09 115.64 112.92 3iw6 s THR 16 Ca 0.00 -0.13 -0.27 0.00 0.31 0.00 0.00 61.69 61.60 3iw6 s THR 16 Cb 0.00 -3.01 -0.03 0.00 0.01 0.00 0.00 72.50 69.47 3iw6 s THR 16 CO 0.00 0.50 0.85 -0.63 -0.69 0.00 0.00 174.62 174.64 3iw6 s ILE 17 N 0.13 4.94 -0.19 1.82 -1.09 -1.26 -0.70 121.20 124.85 3iw6 s ILE 17 Ca 0.03 1.77 -0.02 0.00 -2.23 0.00 0.00 60.65 60.20 3iw6 s ILE 17 Cb -0.13 -4.19 -0.00 0.00 -1.58 0.00 0.00 42.46 36.56 3iw6 s ILE 17 CO 0.01 0.21 -0.10 0.26 -1.23 0.00 0.00 174.94 174.10 3iw6 s TRP 18 N 0.86 2.89 -0.26 3.97 0.52 -0.72 -4.99 118.94 121.21 3iw6 s TRP 18 Ca 0.45 -0.99 -0.05 0.00 0.02 0.00 0.00 56.10 55.53 3iw6 s TRP 18 Cb -0.20 -2.00 0.00 0.00 -1.15 0.00 0.00 33.47 30.13 3iw6 s TRP 18 CO 0.23 -0.51 0.02 -1.21 0.02 0.00 0.00 176.95 175.50 3iw6 s GLU 19 N 1.14 3.17 0.16 4.98 2.02 -1.26 -2.28 118.70 126.63 3iw6 s GLU 19 Ca 0.01 -0.78 0.06 0.00 0.02 0.00 0.00 54.97 54.28 3iw6 s GLU 19 Cb -0.14 -3.19 -0.04 0.00 0.10 0.00 0.00 34.13 30.85 3iw6 s GLU 19 CO -0.03 -0.34 -0.13 0.14 0.02 0.00 0.00 175.26 174.92 3iw6 s VAL 20 N 1.47 1.43 0.71 2.63 -7.23 -0.80 -4.59 120.40 114.03 3iw6 s VAL 20 Ca 0.03 -2.01 -0.16 0.00 -1.81 0.00 0.00 61.98 58.03 3iw6 s VAL 20 Cb -0.16 -1.83 0.03 0.00 0.56 0.00 0.00 36.38 34.98 3iw6 s VAL 20 CO -0.00 -0.59 1.24 -2.84 -0.31 0.00 0.00 175.10 172.59 3iw6 s PRO 21 N -3.38 2.22 0.54 4.82 0.02 -1.26 -1.58 135.00 136.38 3iw6 s PRO 21 Ca 0.16 1.86 0.24 0.00 0.02 0.00 0.00 61.00 63.29 3iw6 s PRO 21 Cb -0.01 -1.83 1.53 0.00 0.02 0.00 0.00 34.50 34.21 3iw6 s PRO 21 CO 0.04 -1.80 2.17 0.93 -0.33 0.00 0.00 177.00 178.00 3iw6 h GLU 22 N -0.08 0.00 -0.80 5.54 4.39 -1.42 -1.99 114.58 120.22 3iw6 h GLU 22 Ca -0.49 0.00 0.19 0.00 0.34 0.00 0.00 59.36 59.41 3iw6 h GLU 22 Cb 1.31 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.81 3iw6 h GLU 22 CO 0.50 0.04 -0.09 -2.13 -1.16 0.00 0.00 179.01 176.18 3iw6 n ARG 23 N -4.04 -0.07 -3.51 2.33 0.63 -1.26 -4.36 116.66 106.39 3iw6 n ARG 23 Ca -0.03 1.23 -0.38 0.00 -0.92 0.00 0.00 57.85 57.75 3iw6 n ARG 23 Cb 0.13 -1.89 -0.10 0.00 0.45 0.00 0.00 32.46 31.05 3iw6 n ARG 23 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 3iw6 s TYR 24 N -5.87 3.27 0.33 -0.14 1.51 -0.75 -1.06 117.35 114.64 3iw6 s TYR 24 Ca -0.11 0.31 0.07 0.00 -1.01 0.00 0.00 57.07 56.33 3iw6 s TYR 24 Cb 0.23 -2.45 -0.07 0.00 -0.11 0.00 0.00 41.96 39.57 3iw6 s TYR 24 CO 0.63 -0.12 -0.04 -0.65 -1.11 0.00 0.00 175.55 174.26 3iw6 s GLN 25 N 1.67 1.72 -1.28 -0.62 -1.52 0.08 -4.83 119.66 114.89 3iw6 s GLN 25 Ca 0.12 -1.91 -0.06 0.00 -1.95 0.00 0.00 55.36 51.55 3iw6 s GLN 25 Cb -0.15 -1.35 0.01 0.00 -0.22 0.00 0.00 33.01 31.29 3iw6 s GLN 25 CO 0.09 0.01 1.11 0.09 -0.25 0.00 0.00 175.29 176.34 3iw6 n ASN 26 N -0.73 -5.14 -4.71 5.90 3.02 -1.26 -0.15 115.26 112.19 3iw6 n ASN 26 Ca -0.05 -0.55 -0.42 0.00 -0.03 0.00 0.00 54.58 53.54 3iw6 n ASN 26 Cb 0.65 -4.93 -0.03 0.00 -0.61 0.00 0.00 39.78 34.85 3iw6 n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3iw6 s LEU 27 N -6.90 4.38 -0.09 3.41 1.02 -1.26 -4.43 118.68 114.82 3iw6 s LEU 27 Ca 0.42 2.80 -0.03 0.00 0.02 0.00 0.00 54.13 57.34 3iw6 s LEU 27 Cb -0.18 -3.58 0.04 0.00 0.02 0.00 0.00 46.19 42.49 3iw6 s LEU 27 CO 0.71 -0.98 0.09 -0.55 0.02 0.00 0.00 176.35 175.64 3iw6 s SER 28 N 1.91 1.42 0.30 2.29 0.15 -0.01 -4.98 113.70 114.77 3iw6 s SER 28 Ca 0.77 -0.08 -0.30 0.00 0.70 0.00 0.00 55.95 57.05 3iw6 s SER 28 Cb -0.48 -0.09 -0.13 0.00 -1.71 0.00 0.00 66.02 63.62 3iw6 s SER 28 CO 0.34 -0.28 1.40 -2.65 1.20 0.00 0.00 173.24 173.25 3iw6 n PRO 29 N 5.30 2.23 0.00 5.44 -0.02 -1.26 -0.19 135.00 146.49 3iw6 n PRO 29 Ca -0.04 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3iw6 n PRO 29 Cb 0.50 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 3iw6 n PRO 29 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3iw6 n VAL 30 N 1.28 0.00 -3.64 -1.45 0.24 -0.10 -4.79 118.33 109.87 3iw6 n VAL 30 Ca 0.08 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.35 3iw6 n VAL 30 Cb 0.35 -0.70 -0.01 0.00 -1.47 0.00 0.00 33.84 32.00 3iw6 n VAL 30 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3iw6 s GLY 31 N -2.46 -0.34 -0.29 7.63 0.00 -1.10 -5.02 107.32 105.73 3iw6 s GLY 31 Ca 0.00 0.72 -0.15 0.00 0.00 0.00 0.00 44.72 45.28 3iw6 s GLY 31 CO 0.00 0.18 0.87 -0.56 0.00 0.00 0.00 173.10 173.59 3iw6 s SER 32 N -2.76 -0.70 0.00 1.64 0.01 -1.26 0.29 113.70 110.92 3iw6 s SER 32 Ca 0.11 1.08 0.00 0.00 1.31 0.00 0.00 55.95 58.45 3iw6 s SER 32 Cb 0.01 1.44 0.00 0.00 0.21 0.00 0.00 66.02 67.68 3iw6 s SER 32 CO -0.03 -0.16 0.00 0.00 0.41 0.00 0.00 173.24 173.46 3iw6 n TYR 35 N 4.24 0.00 0.00 2.43 0.18 -1.26 -4.99 117.16 117.77 3iw6 n TYR 35 Ca -0.17 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.61 3iw6 n TYR 35 Cb 0.56 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.52 3iw6 n TYR 35 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3iw6 n GLY 36 N 0.00 -0.88 3.67 -7.48 0.00 -1.26 -1.72 105.19 97.53 3iw6 n GLY 36 Ca 0.00 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 3iw6 n GLY 36 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iw6 s SER 37 N 0.00 4.92 -0.10 1.61 1.04 -0.95 -4.94 113.70 115.27 3iw6 s SER 37 Ca 0.00 -0.23 0.02 0.00 0.48 0.00 0.00 55.95 56.23 3iw6 s SER 37 Cb 0.00 -1.13 0.01 0.00 0.10 0.00 0.00 66.02 65.00 3iw6 s SER 37 CO 0.00 0.17 -0.17 -0.69 0.98 0.00 0.00 173.24 173.53 3iw6 s VAL 38 N -1.34 1.56 -0.09 5.02 1.01 0.15 -0.98 120.40 125.73 3iw6 s VAL 38 Ca 0.25 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.54 3iw6 s VAL 38 Cb -0.11 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 3iw6 s VAL 38 CO 0.18 0.45 -0.10 0.00 0.00 0.00 0.00 175.10 175.63 3iw6 s ALA 40 N -0.31 2.45 0.14 0.00 0.00 0.73 0.17 121.76 124.94 3iw6 s ALA 40 Ca 0.04 0.54 -0.25 0.00 0.00 0.00 0.00 51.96 52.29 3iw6 s ALA 40 Cb -0.13 -3.32 0.07 0.00 0.00 0.00 0.00 23.12 19.74 3iw6 s ALA 40 CO 0.02 -1.31 0.83 0.00 0.00 0.00 0.00 175.76 175.31 3iw6 s ALA 41 N -2.36 -1.61 -0.19 0.00 0.00 0.47 -0.83 121.76 117.24 3iw6 s ALA 41 Ca 0.67 0.35 -0.04 0.00 0.00 0.00 0.00 51.96 52.94 3iw6 s ALA 41 Cb -0.20 0.66 -0.02 0.00 0.00 0.00 0.00 23.12 23.56 3iw6 s ALA 41 CO 0.42 -0.90 -0.04 0.12 0.00 0.00 0.00 175.76 175.36 3iw6 s PHE 42 N -3.44 2.97 -0.56 0.00 5.36 0.78 -0.23 117.98 122.86 3iw6 s PHE 42 Ca 0.08 -0.60 -0.22 0.00 -0.96 0.00 0.00 56.93 55.23 3iw6 s PHE 42 Cb -0.02 -2.03 0.06 0.00 -0.34 0.00 0.00 43.02 40.69 3iw6 s PHE 42 CO -0.03 -0.29 0.82 0.34 -1.46 0.00 0.00 175.22 174.60 3iw6 s ASP 43 N 0.92 6.26 0.42 6.13 2.15 0.41 -0.74 116.67 132.23 3iw6 s ASP 43 Ca -0.00 -0.73 0.16 0.00 0.43 0.00 0.00 52.55 52.40 3iw6 s ASP 43 Cb -0.15 -2.37 0.91 0.00 -0.30 0.00 0.00 42.92 41.01 3iw6 s ASP 43 CO 0.01 -1.14 1.91 0.71 -0.17 0.00 0.00 175.17 176.49 3iw6 h THR 44 N 5.95 1.11 -0.07 1.71 1.35 -1.38 -0.81 112.91 120.76 3iw6 h THR 44 Ca -0.27 -0.97 -0.07 0.00 -0.55 0.00 0.00 66.41 64.54 3iw6 h THR 44 Cb 1.08 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 69.03 3iw6 h THR 44 CO 1.06 0.27 -0.30 0.50 -0.25 0.00 0.00 175.52 176.80 3iw6 h LYS 45 N 0.00 0.13 0.00 4.72 3.64 -1.92 -3.32 116.57 119.83 3iw6 h LYS 45 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3iw6 h LYS 45 Cb 0.51 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3iw6 h LYS 45 CO 0.04 0.43 -1.28 0.25 -2.27 0.00 0.00 179.45 176.61 3iw6 n THR 46 N -4.14 0.00 -0.97 1.00 -2.24 -1.09 -5.00 114.28 101.85 3iw6 n THR 46 Ca -0.01 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3iw6 n THR 46 Cb 0.37 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 3iw6 n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iw6 n GLY 47 N 1.88 0.68 3.86 3.38 0.00 -0.33 -5.05 105.19 109.61 3iw6 n GLY 47 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 3iw6 n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iw6 s LEU 48 N 0.00 4.39 0.24 0.99 1.43 -1.18 -4.91 118.68 119.64 3iw6 s LEU 48 Ca 0.00 0.85 -0.30 0.00 -1.03 0.00 0.00 54.13 53.65 3iw6 s LEU 48 Cb 0.00 -2.85 -0.09 0.00 0.03 0.00 0.00 46.19 43.28 3iw6 s LEU 48 CO 0.00 0.22 0.98 -0.13 0.23 0.00 0.00 176.35 177.66 3iw6 s ARG 49 N -1.63 4.79 0.07 1.70 0.52 -1.26 -0.44 118.95 122.70 3iw6 s ARG 49 Ca 0.30 1.57 0.01 0.00 -0.52 0.00 0.00 55.73 57.09 3iw6 s ARG 49 Cb -0.15 -3.27 -0.04 0.00 0.52 0.00 0.00 34.95 32.02 3iw6 s ARG 49 CO 0.16 0.41 -0.06 0.14 0.02 0.00 0.00 175.30 175.98 3iw6 s VAL 50 N -1.06 0.55 -0.18 3.52 -7.23 0.68 -2.06 120.40 114.61 3iw6 s VAL 50 Ca 0.42 -1.66 -0.08 0.00 -1.81 0.00 0.00 61.98 58.86 3iw6 s VAL 50 Cb -0.27 -1.32 -0.04 0.00 0.56 0.00 0.00 36.38 35.30 3iw6 s VAL 50 CO 0.34 -0.76 0.07 0.00 -0.31 0.00 0.00 175.10 174.44 3iw6 s ALA 51 N -3.02 3.43 -0.18 1.32 0.00 0.46 -0.40 121.76 123.37 3iw6 s ALA 51 Ca 0.04 -0.74 -0.02 0.00 0.00 0.00 0.00 51.96 51.24 3iw6 s ALA 51 Cb 0.01 -1.93 -0.01 0.00 0.00 0.00 0.00 23.12 21.19 3iw6 s ALA 51 CO -0.04 0.19 -0.09 0.08 0.00 0.00 0.00 175.76 175.90 3iw6 s VAL 52 N 0.33 3.18 -0.22 0.00 1.01 0.13 -1.41 120.40 123.42 3iw6 s VAL 52 Ca 0.03 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 3iw6 s VAL 52 Cb -0.12 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 3iw6 s VAL 52 CO -0.00 0.47 -0.04 -0.75 0.00 0.00 0.00 175.10 174.79 3iw6 s LYS 53 N 1.02 3.40 -0.35 2.72 2.20 0.60 -1.07 119.74 128.25 3iw6 s LYS 53 Ca -0.00 -0.61 -0.18 0.00 -0.36 0.00 0.00 55.97 54.81 3iw6 s LYS 53 Cb -0.15 -3.03 -0.00 0.00 -1.51 0.00 0.00 37.83 33.14 3iw6 s LYS 53 CO -0.01 -0.20 0.53 0.21 -0.36 0.00 0.00 175.35 175.52 3iw6 s LYS 54 N 1.49 3.61 0.45 4.03 2.20 -0.15 -0.24 119.74 131.12 3iw6 s LYS 54 Ca 0.06 -0.15 -0.25 0.00 -0.36 0.00 0.00 55.97 55.27 3iw6 s LYS 54 Cb -0.14 -3.81 -0.08 0.00 -1.51 0.00 0.00 37.83 32.29 3iw6 s LYS 54 CO -0.03 -0.66 1.30 -0.51 -0.36 0.00 0.00 175.35 175.09 3iw6 s LEU 55 N 2.43 4.10 -0.32 5.43 1.43 -0.28 -2.25 118.68 129.22 3iw6 s LEU 55 Ca 0.19 2.64 -0.21 0.00 -1.03 0.00 0.00 54.13 55.72 3iw6 s LEU 55 Cb -0.15 -4.04 -0.00 0.00 0.03 0.00 0.00 46.19 42.03 3iw6 s LEU 55 CO 0.14 -1.03 0.65 -0.55 0.23 0.00 0.00 176.35 175.79 3iw6 s SER 56 N -0.87 6.49 -1.33 2.29 0.15 -0.70 -4.45 113.70 115.28 3iw6 s SER 56 Ca 0.61 0.36 -0.08 0.00 0.70 0.00 0.00 55.95 57.55 3iw6 s SER 56 Cb -0.37 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 3iw6 s SER 56 CO 0.47 -0.54 0.51 0.54 1.20 0.00 0.00 173.24 175.42 3iw6 n ARG 57 N 5.98 -2.50 0.15 5.44 1.74 -1.26 -4.83 116.66 121.38 3iw6 n ARG 57 Ca -0.01 0.38 0.12 0.00 -0.77 0.00 0.00 57.85 57.58 3iw6 n ARG 57 Cb 0.49 -4.26 0.64 0.00 -1.02 0.00 0.00 32.46 28.31 3iw6 n ARG 57 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3iw6 h PRO 58 N -1.90 0.04 -0.09 5.56 0.13 -1.80 -3.04 132.00 130.89 3iw6 h PRO 58 Ca -0.65 -0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.37 3iw6 h PRO 58 Cb 1.37 -0.01 -0.16 0.00 0.13 0.00 0.00 31.00 32.34 3iw6 h PRO 58 CO 0.58 0.02 -0.70 1.19 -0.23 0.00 0.00 178.00 178.87 3iw6 n PHE 59 N -4.48 0.31 0.11 1.56 3.72 -1.26 -0.97 117.46 116.45 3iw6 n PHE 59 Ca 0.02 -1.33 0.07 0.00 -0.05 0.00 0.00 57.45 56.15 3iw6 n PHE 59 Cb 0.27 -0.23 0.02 0.00 -0.94 0.00 0.00 39.48 38.60 3iw6 n PHE 59 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 3iw6 h GLN 60 N 1.17 0.00 -4.40 -1.08 4.20 -1.91 -3.47 115.11 109.63 3iw6 h GLN 60 Ca -0.03 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.48 3iw6 h GLN 60 Cb 1.30 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.94 3iw6 h GLN 60 CO 0.10 0.18 -0.54 -1.54 -0.67 0.00 0.00 178.83 176.36 3iw6 s SER 61 N -5.86 0.14 0.14 1.46 1.04 -1.26 -5.04 113.70 104.33 3iw6 s SER 61 Ca 0.01 -1.27 -0.17 0.00 0.48 0.00 0.00 55.95 55.00 3iw6 s SER 61 Cb 0.08 0.40 -0.00 0.00 0.10 0.00 0.00 66.02 66.60 3iw6 s SER 61 CO 0.76 -0.86 1.79 0.40 0.98 0.00 0.00 173.24 176.31 3iw6 h ILE 62 N 2.61 1.03 -0.09 -1.02 2.04 -1.94 -1.81 117.51 118.34 3iw6 h ILE 62 Ca -0.34 -0.13 -0.12 0.00 1.00 0.00 0.00 64.86 65.27 3iw6 h ILE 62 Cb 1.24 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 3iw6 h ILE 62 CO 0.51 0.07 -0.46 -0.29 0.00 0.00 0.00 178.15 177.98 3iw6 h ILE 63 N 0.38 1.33 -0.19 -0.67 -0.00 -1.96 0.12 117.51 116.53 3iw6 h ILE 63 Ca 0.13 -1.64 -0.03 0.00 -0.00 0.00 0.00 64.86 63.32 3iw6 h ILE 63 Cb 0.00 1.78 -0.01 0.00 -0.00 0.00 0.00 36.82 38.59 3iw6 h ILE 63 CO -0.06 0.49 0.01 0.45 -0.00 0.00 0.00 178.15 179.04 3iw6 h HIS 64 N 0.18 0.35 -0.51 2.19 3.86 -1.77 -1.44 115.15 118.01 3iw6 h HIS 64 Ca 0.01 -0.06 0.08 0.00 -1.16 0.00 0.00 60.37 59.24 3iw6 h HIS 64 Cb 0.89 -0.09 -0.06 0.00 1.06 0.00 0.00 27.41 29.20 3iw6 h HIS 64 CO 0.01 0.51 0.16 0.00 0.86 0.00 0.00 177.93 179.47 3iw6 h ALA 65 N 0.80 0.62 -0.16 2.45 0.00 -0.16 0.16 119.26 122.98 3iw6 h ALA 65 Ca 0.06 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3iw6 h ALA 65 Cb 0.36 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3iw6 h ALA 65 CO 0.01 -0.24 0.07 -0.22 0.00 0.00 0.00 179.25 178.87 3iw6 h LYS 66 N 0.33 0.23 -0.66 0.00 3.64 -0.72 -0.84 116.57 118.54 3iw6 h LYS 66 Ca 0.25 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.61 3iw6 h LYS 66 Cb 0.29 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 3iw6 h LYS 66 CO -0.28 0.28 0.43 0.00 -2.27 0.00 0.00 179.45 177.62 3iw6 h ARG 67 N 0.12 0.84 -0.20 1.90 3.08 -0.91 -1.31 114.38 117.90 3iw6 h ARG 67 Ca 0.05 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.07 3iw6 h ARG 67 Cb 0.13 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3iw6 h ARG 67 CO -0.01 0.55 0.07 1.15 -1.07 0.00 0.00 179.97 180.67 3iw6 h THR 68 N 0.86 0.95 -0.38 2.04 2.02 -0.40 -0.79 112.91 117.22 3iw6 h THR 68 Ca 0.25 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.36 3iw6 h THR 68 Cb -0.05 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 3iw6 h THR 68 CO -0.07 0.03 0.18 0.22 0.37 0.00 0.00 175.52 176.25 3iw6 h TYR 69 N 0.17 0.54 -0.15 3.16 5.03 -0.84 -1.22 116.97 123.66 3iw6 h TYR 69 Ca 0.09 -0.03 0.03 0.00 2.58 0.00 0.00 58.73 61.40 3iw6 h TYR 69 Cb 0.06 -0.17 -0.03 0.00 1.55 0.00 0.00 36.73 38.14 3iw6 h TYR 69 CO -0.12 0.46 -0.04 -0.09 -1.32 0.00 0.00 178.16 177.05 3iw6 h ARG 70 N 0.47 -0.01 -0.18 1.82 1.12 -1.09 -0.09 114.38 116.43 3iw6 h ARG 70 Ca 0.13 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.99 3iw6 h ARG 70 Cb 0.12 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.07 3iw6 h ARG 70 CO -0.02 -0.01 0.06 1.49 -3.11 0.00 0.00 179.97 178.39 3iw6 h GLU 71 N -0.01 0.27 -0.02 0.20 4.81 -0.94 -0.46 114.58 118.44 3iw6 h GLU 71 Ca 0.07 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3iw6 h GLU 71 Cb 0.12 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3iw6 h GLU 71 CO -0.16 0.37 -0.08 1.25 -0.73 0.00 0.00 179.01 179.65 3iw6 h LEU 72 N 0.13 -0.24 -0.33 1.64 6.46 -1.08 -0.95 115.31 120.93 3iw6 h LEU 72 Ca 0.06 0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.82 3iw6 h LEU 72 Cb 0.20 0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 3iw6 h LEU 72 CO -0.00 -0.12 0.07 -0.09 -0.62 0.00 0.00 178.44 177.68 3iw6 h ARG 73 N -0.14 0.53 0.16 1.25 2.43 -0.89 -0.74 114.38 116.98 3iw6 h ARG 73 Ca 0.04 -0.13 0.02 0.00 -0.81 0.00 0.00 59.98 59.09 3iw6 h ARG 73 Cb 0.19 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 3iw6 h ARG 73 CO -0.10 0.60 -0.32 1.25 -1.51 0.00 0.00 179.97 179.89 3iw6 h LEU 74 N 0.37 -0.91 -1.68 3.80 5.85 -1.00 -2.21 115.31 119.52 3iw6 h LEU 74 Ca 0.10 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.92 3iw6 h LEU 74 Cb 0.32 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 3iw6 h LEU 74 CO 0.00 -0.42 0.21 -0.07 -0.34 0.00 0.00 178.44 177.82 3iw6 h LEU 75 N -0.57 0.37 -1.33 2.25 3.38 -1.03 -1.00 115.31 117.38 3iw6 h LEU 75 Ca 0.02 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3iw6 h LEU 75 Cb 0.58 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3iw6 h LEU 75 CO -0.17 0.27 -0.31 0.11 0.09 0.00 0.00 178.44 178.44 3iw6 h LYS 76 N 0.43 0.00 0.00 1.13 1.57 -0.81 -3.14 116.57 115.76 3iw6 h LYS 76 Ca 0.12 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 3iw6 h LYS 76 Cb -0.05 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3iw6 h LYS 76 CO -0.02 0.31 -1.17 0.45 -0.57 0.00 0.00 179.45 178.44 3iw6 h HIS 77 N 0.00 0.00 -3.25 -1.35 3.86 -0.60 -3.45 115.15 110.37 3iw6 h HIS 77 Ca -0.00 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.65 3iw6 h HIS 77 Cb 0.64 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.04 3iw6 h HIS 77 CO 0.00 0.40 0.99 -1.64 0.86 0.00 0.00 177.93 178.54 3iw6 s MET 78 N -3.05 3.53 -0.48 2.45 -1.94 -0.76 -4.94 119.30 114.10 3iw6 s MET 78 Ca -0.01 0.36 0.03 0.00 -1.71 0.00 0.00 55.69 54.36 3iw6 s MET 78 Cb 0.09 -4.01 0.14 0.00 2.01 0.00 0.00 34.83 33.06 3iw6 s MET 78 CO 0.79 -1.66 0.29 0.15 -0.01 0.00 0.00 175.02 174.59 3iw6 s LYS 79 N 4.94 1.48 -0.18 2.03 1.02 -1.26 -4.40 119.74 123.37 3iw6 s LYS 79 Ca 0.46 -2.27 -0.28 0.00 0.02 0.00 0.00 55.97 53.90 3iw6 s LYS 79 Cb -0.08 -2.48 0.08 0.00 -0.52 0.00 0.00 37.83 34.83 3iw6 s LYS 79 CO 0.27 -1.20 0.73 -1.58 -0.92 0.00 0.00 175.35 172.65 3iw6 s HIS 80 N -0.01 -0.70 0.47 3.18 2.46 -1.26 -5.06 115.29 114.38 3iw6 s HIS 80 Ca 0.20 1.50 0.12 0.00 0.47 0.00 0.00 55.06 57.36 3iw6 s HIS 80 Cb -0.18 0.34 1.09 0.00 -0.13 0.00 0.00 32.58 33.70 3iw6 s HIS 80 CO -0.05 -0.46 2.10 0.93 -2.47 0.00 0.00 174.74 174.79 3iw6 h GLU 81 N 4.03 0.25 -0.42 2.88 5.08 -1.97 -2.73 114.58 121.70 3iw6 h GLU 81 Ca -0.28 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 57.99 3iw6 h GLU 81 Cb 1.15 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.30 3iw6 h GLU 81 CO 0.20 0.16 0.05 0.09 -1.00 0.00 0.00 179.01 178.52 3iw6 n ASN 82 N -4.50 4.03 -3.99 1.42 4.13 -1.26 -4.73 115.26 110.36 3iw6 n ASN 82 Ca 0.01 -3.19 -0.17 0.00 1.68 0.00 0.00 54.58 52.90 3iw6 n ASN 82 Cb 0.11 -0.62 -0.15 0.00 -1.54 0.00 0.00 39.78 37.58 3iw6 n ASN 82 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3iw6 s VAL 83 N -2.94 0.55 0.25 2.41 1.01 -1.03 -0.92 120.40 119.73 3iw6 s VAL 83 Ca 0.47 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.85 3iw6 s VAL 83 Cb 0.38 -0.46 -0.10 0.00 0.00 0.00 0.00 36.38 36.20 3iw6 s VAL 83 CO 0.09 0.16 1.47 -0.51 0.00 0.00 0.00 175.10 176.31 3iw6 s ILE 84 N -0.14 2.56 0.32 2.22 1.10 0.32 -4.51 121.20 123.07 3iw6 s ILE 84 Ca 0.02 0.47 0.07 0.00 -0.51 0.00 0.00 60.65 60.70 3iw6 s ILE 84 Cb -0.03 -3.30 -0.03 0.00 0.15 0.00 0.00 42.46 39.25 3iw6 s ILE 84 CO -0.00 0.07 0.28 -0.83 -2.11 0.00 0.00 174.94 172.35 3iw6 s GLY 85 N 0.41 2.27 -0.18 1.50 0.00 -1.26 -4.79 107.32 105.27 3iw6 s GLY 85 Ca 0.60 -2.04 -0.08 0.00 0.00 0.00 0.00 44.72 43.20 3iw6 s GLY 85 CO 0.44 -1.46 0.10 1.08 0.00 0.00 0.00 173.10 173.26 3iw6 s LEU 86 N -3.36 4.04 0.04 0.66 1.43 -1.25 -4.54 118.68 115.70 3iw6 s LEU 86 Ca 0.40 0.19 0.15 0.00 -1.03 0.00 0.00 54.13 53.85 3iw6 s LEU 86 Cb 0.03 -2.02 -0.16 0.00 0.03 0.00 0.00 46.19 44.07 3iw6 s LEU 86 CO 0.27 0.22 0.82 -0.07 0.23 0.00 0.00 176.35 177.81 3iw6 h LEU 87 N 6.40 0.00 -7.00 1.79 3.38 -0.10 -3.41 115.31 116.36 3iw6 h LEU 87 Ca -0.41 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 3iw6 h LEU 87 Cb 1.17 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.79 3iw6 h LEU 87 CO 0.71 0.71 0.24 -0.62 0.09 0.00 0.00 178.44 179.56 3iw6 s ASP 88 N -5.92 -0.56 -0.07 -0.43 3.68 -1.11 -4.58 116.67 107.68 3iw6 s ASP 88 Ca -0.03 0.09 -0.04 0.00 2.13 0.00 0.00 52.55 54.70 3iw6 s ASP 88 Cb 0.08 0.57 0.03 0.00 -1.45 0.00 0.00 42.92 42.15 3iw6 s ASP 88 CO 0.81 -0.88 0.16 0.54 0.13 0.00 0.00 175.17 175.93 3iw6 s VAL 89 N -3.34 -0.03 0.05 1.11 0.11 -1.26 -1.46 120.40 115.58 3iw6 s VAL 89 Ca -0.00 0.11 -0.05 0.00 -2.93 0.00 0.00 61.98 59.11 3iw6 s VAL 89 Cb -0.01 -0.25 -0.02 0.00 -1.53 0.00 0.00 36.38 34.58 3iw6 s VAL 89 CO -0.10 0.04 0.08 0.72 -3.33 0.00 0.00 175.10 172.52 3iw6 s PHE 90 N 0.75 0.26 0.00 1.54 -0.12 -0.60 -5.00 117.98 114.81 3iw6 s PHE 90 Ca -0.06 -0.62 0.03 0.00 -0.05 0.00 0.00 56.93 56.23 3iw6 s PHE 90 Cb -0.07 -0.18 -0.01 0.00 -0.63 0.00 0.00 43.02 42.12 3iw6 s PHE 90 CO -0.04 -0.38 -0.11 -0.08 -0.05 0.00 0.00 175.22 174.56 3iw6 s THR 91 N -2.98 0.86 0.45 -4.49 -1.32 -1.26 -1.32 115.64 105.57 3iw6 s THR 91 Ca -0.02 -0.59 0.13 0.00 -1.21 0.00 0.00 61.69 60.01 3iw6 s THR 91 Cb 0.01 -0.75 0.20 0.00 -1.51 0.00 0.00 72.50 70.45 3iw6 s THR 91 CO -0.06 0.16 2.01 1.55 -2.21 0.00 0.00 174.62 176.06 3iw6 h PRO 92 N 5.63 0.09 -6.28 7.08 0.13 -1.82 -3.45 132.00 133.37 3iw6 h PRO 92 Ca -0.33 -0.01 -0.63 0.00 -0.87 0.00 0.00 66.00 64.16 3iw6 h PRO 92 Cb 1.18 -0.01 0.12 0.00 0.13 0.00 0.00 31.00 32.41 3iw6 h PRO 92 CO 0.48 0.20 -0.20 0.00 -0.23 0.00 0.00 178.00 178.24 3iw6 n ALA 93 N -2.51 -1.41 0.74 -0.56 0.00 -1.26 -4.91 120.51 110.61 3iw6 n ALA 93 Ca -0.02 0.37 0.09 0.00 0.00 0.00 0.00 53.44 53.88 3iw6 n ALA 93 Cb 0.21 -1.83 0.06 0.00 0.00 0.00 0.00 19.45 17.89 3iw6 n ALA 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3iw6 n ARG 94 N 0.81 1.49 -3.90 0.00 1.74 -1.26 -4.94 116.66 110.60 3iw6 n ARG 94 Ca 0.13 -1.45 -0.08 0.00 -0.77 0.00 0.00 57.85 55.68 3iw6 n ARG 94 Cb 0.31 -1.33 -0.03 0.00 -1.02 0.00 0.00 32.46 30.39 3iw6 n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3iw6 s SER 95 N -1.55 -0.21 0.23 0.55 1.04 -1.26 -5.04 113.70 107.47 3iw6 s SER 95 Ca 0.20 -0.71 -0.08 0.00 0.48 0.00 0.00 55.95 55.84 3iw6 s SER 95 Cb 0.15 0.69 0.22 0.00 0.10 0.00 0.00 66.02 67.18 3iw6 s SER 95 CO 0.25 -1.30 1.90 0.25 0.98 0.00 0.00 173.24 175.32 3iw6 h LEU 96 N 2.07 1.06 -1.56 2.42 5.85 -1.96 -1.84 115.31 121.35 3iw6 h LEU 96 Ca -0.21 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3iw6 h LEU 96 Cb 1.25 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 3iw6 h LEU 96 CO 0.27 0.79 0.30 1.05 -0.34 0.00 0.00 178.44 180.50 3iw6 h GLU 97 N 1.24 0.59 -0.02 1.25 9.09 -2.02 -2.54 114.58 122.17 3iw6 h GLU 97 Ca 0.33 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.71 3iw6 h GLU 97 Cb -0.11 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 26.85 3iw6 h GLU 97 CO -0.07 0.39 -0.21 -0.85 0.05 0.00 0.00 179.01 178.33 3iw6 n GLU 98 N -4.47 1.63 -1.55 1.06 0.28 -1.03 -4.94 120.64 111.63 3iw6 n GLU 98 Ca 0.04 -1.26 -0.39 0.00 -0.16 0.00 0.00 57.16 55.39 3iw6 n GLU 98 Cb 0.06 -1.47 -0.04 0.00 1.43 0.00 0.00 31.44 31.41 3iw6 n GLU 98 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 3iw6 n PHE 99 N 0.41 1.49 0.00 -1.84 7.35 -0.72 -4.70 117.46 119.45 3iw6 n PHE 99 Ca 0.13 0.09 0.00 0.00 -0.76 0.00 0.00 57.45 56.91 3iw6 n PHE 99 Cb 0.48 -2.64 0.00 0.00 0.35 0.00 0.00 39.48 37.68 3iw6 n PHE 99 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3iw6 n ASN 100 N 14.47 0.37 -3.95 -2.13 4.13 -1.26 -5.03 115.26 121.86 3iw6 n ASN 100 Ca 0.38 -0.18 -0.10 0.00 1.68 0.00 0.00 54.58 56.35 3iw6 n ASN 100 Cb 0.48 0.44 -0.12 0.00 -1.54 0.00 0.00 39.78 39.04 3iw6 n ASN 100 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3iw6 s ASP 101 N -0.52 0.17 -0.03 6.41 1.01 -1.26 -4.55 116.67 117.90 3iw6 s ASP 101 Ca 0.00 -0.34 0.01 0.00 0.71 0.00 0.00 52.55 52.93 3iw6 s ASP 101 Cb 0.00 0.07 0.02 0.00 1.01 0.00 0.00 42.92 44.01 3iw6 s ASP 101 CO 0.00 -0.20 -0.04 -0.69 0.21 0.00 0.00 175.17 174.45 3iw6 s VAL 102 N -0.98 0.44 -0.04 -1.27 1.01 -1.26 -4.50 120.40 113.80 3iw6 s VAL 102 Ca -0.11 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 61.81 3iw6 s VAL 102 Cb -0.07 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.85 3iw6 s VAL 102 CO -0.01 0.18 -0.19 -0.31 0.00 0.00 0.00 175.10 174.78 3iw6 s TYR 103 N 0.67 1.81 -0.04 5.22 1.51 -0.44 -1.12 117.35 124.96 3iw6 s TYR 103 Ca -0.08 -0.48 0.04 0.00 -1.01 0.00 0.00 57.07 55.54 3iw6 s TYR 103 Cb -0.11 -1.20 -0.03 0.00 -0.11 0.00 0.00 41.96 40.51 3iw6 s TYR 103 CO -0.00 -0.14 -0.16 -0.51 -1.11 0.00 0.00 175.55 173.63 3iw6 s LEU 104 N -0.09 2.66 -0.06 -1.29 1.43 0.66 -1.56 118.68 120.43 3iw6 s LEU 104 Ca -0.01 -0.25 0.05 0.00 -1.03 0.00 0.00 54.13 52.90 3iw6 s LEU 104 Cb -0.11 -1.54 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 3iw6 s LEU 104 CO 0.02 0.33 -0.23 -0.69 0.23 0.00 0.00 176.35 176.01 3iw6 s VAL 105 N -0.75 1.94 0.18 -1.59 1.01 -0.53 -0.29 120.40 120.37 3iw6 s VAL 105 Ca 0.12 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 3iw6 s VAL 105 Cb -0.11 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 3iw6 s VAL 105 CO 0.01 0.54 0.17 0.28 0.00 0.00 0.00 175.10 176.10 3iw6 s THR 106 N -0.05 0.03 0.26 3.92 -1.32 -0.50 0.68 115.64 118.67 3iw6 s THR 106 Ca -0.06 -1.85 -0.30 0.00 -1.21 0.00 0.00 61.69 58.27 3iw6 s THR 106 Cb -0.14 -2.28 -0.11 0.00 -1.51 0.00 0.00 72.50 68.46 3iw6 s THR 106 CO 0.04 -0.15 1.57 -2.28 -2.21 0.00 0.00 174.62 171.60 3iw6 s HIS 107 N -4.10 2.86 -0.22 9.09 5.65 -1.26 -0.40 115.29 126.92 3iw6 s HIS 107 Ca 0.31 0.76 -0.29 0.00 0.25 0.00 0.00 55.06 56.09 3iw6 s HIS 107 Cb 0.06 -4.01 -0.01 0.00 -1.18 0.00 0.00 32.58 27.44 3iw6 s HIS 107 CO 0.08 -3.47 1.35 -1.17 -0.65 0.00 0.00 174.74 170.89 3iw6 s LEU 108 N -0.08 4.04 -0.14 8.88 2.96 -0.88 -4.45 118.68 129.01 3iw6 s LEU 108 Ca 0.65 1.53 -0.13 0.00 -0.22 0.00 0.00 54.13 55.96 3iw6 s LEU 108 Cb -0.46 -3.54 -0.25 0.00 0.50 0.00 0.00 46.19 42.44 3iw6 s LEU 108 CO 0.43 -0.96 0.38 0.24 -1.32 0.00 0.00 176.35 175.12 3iw6 h MET 109 N 9.05 0.20 0.00 1.98 2.86 -1.90 -3.46 114.93 123.65 3iw6 h MET 109 Ca -0.28 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.02 3iw6 h MET 109 Cb 1.11 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.90 3iw6 h MET 109 CO 1.00 1.16 0.00 0.41 1.06 0.00 0.00 176.91 180.54 3iw6 n GLY 110 N 1.79 2.18 3.30 8.32 0.00 -1.26 -4.10 105.19 115.41 3iw6 n GLY 110 Ca -0.30 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 3iw6 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iw6 s ALA 111 N -2.59 -0.82 0.44 4.61 0.00 -1.19 -5.06 121.76 117.15 3iw6 s ALA 111 Ca 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 51.96 51.86 3iw6 s ALA 111 Cb 0.00 0.62 -0.00 0.00 0.00 0.00 0.00 23.12 23.74 3iw6 s ALA 111 CO 0.00 -0.60 0.04 -0.40 0.00 0.00 0.00 175.76 174.80 3iw6 n ASP 112 N -0.12 2.66 -0.09 0.00 3.85 -1.26 -0.47 116.55 121.12 3iw6 n ASP 112 Ca -0.16 -3.02 -0.06 0.00 -0.71 0.00 0.00 54.79 50.83 3iw6 n ASP 112 Cb 0.63 0.51 0.01 0.00 -1.35 0.00 0.00 41.12 40.92 3iw6 n ASP 112 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 3iw6 h LEU 113 N 0.00 -0.08 -0.98 -2.12 5.85 -0.92 0.18 115.31 117.24 3iw6 h LEU 113 Ca -0.36 0.07 0.29 0.00 0.84 0.00 0.00 57.88 58.72 3iw6 h LEU 113 Cb 1.15 0.11 -0.14 0.00 0.37 0.00 0.00 40.66 42.15 3iw6 h LEU 113 CO 0.59 -0.00 0.51 0.78 -0.34 0.00 0.00 178.44 179.98 3iw6 h ASN 114 N 0.13 0.45 -0.07 1.25 4.21 -1.91 -1.34 115.58 118.31 3iw6 h ASN 114 Ca 0.16 0.18 -0.01 0.00 1.21 0.00 0.00 56.30 57.84 3iw6 h ASN 114 Cb 0.20 0.14 -0.00 0.00 -1.12 0.00 0.00 38.32 37.54 3iw6 h ASN 114 CO -0.24 -0.09 0.01 0.78 -1.29 0.00 0.00 177.43 176.60 3iw6 h ASN 115 N 0.36 0.11 -0.41 5.81 2.35 -1.35 0.19 115.58 122.64 3iw6 h ASN 115 Ca 0.68 -0.27 -0.04 0.00 -0.55 0.00 0.00 56.30 56.13 3iw6 h ASN 115 Cb 1.48 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.80 3iw6 h ASN 115 CO -0.59 0.35 0.11 0.40 -1.65 0.00 0.00 177.43 176.05 3iw6 h ILE 116 N -0.13 1.23 0.27 2.81 1.08 -1.48 -3.39 117.51 117.90 3iw6 h ILE 116 Ca 0.02 -0.76 -0.01 0.00 -0.39 0.00 0.00 64.86 63.71 3iw6 h ILE 116 Cb 0.29 0.95 0.00 0.00 -3.07 0.00 0.00 36.82 35.00 3iw6 h ILE 116 CO 0.00 0.27 -0.13 0.58 -0.69 0.00 0.00 178.15 178.18 3iw6 h VAL 117 N 0.51 0.00 -0.03 1.67 2.07 -1.10 -3.49 116.25 115.89 3iw6 h VAL 117 Ca 0.13 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 3iw6 h VAL 117 Cb 0.30 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 3iw6 h VAL 117 CO -0.00 0.00 -0.01 0.29 0.02 0.00 0.00 177.57 177.87 3iw6 n LYS 118 N -4.70 -0.21 -1.00 1.57 5.02 0.65 -2.99 118.16 116.51 3iw6 n LYS 118 Ca -0.04 0.20 -0.00 0.00 -2.02 0.00 0.00 58.31 56.45 3iw6 n LYS 118 Cb 0.14 -3.49 -0.00 0.00 -0.02 0.00 0.00 35.03 31.67 3iw6 n LYS 118 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3iw6 n SER 119 N 0.36 -3.39 -4.91 4.39 2.88 -1.26 -5.02 113.62 106.67 3iw6 n SER 119 Ca -0.01 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.22 3iw6 n SER 119 Cb 0.06 -0.89 -0.04 0.00 -0.75 0.00 0.00 64.21 62.59 3iw6 n SER 119 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3iw6 s GLN 120 N -0.27 3.49 0.40 -1.46 -1.52 -1.16 -4.66 119.66 114.48 3iw6 s GLN 120 Ca 0.00 -0.32 -0.23 0.00 -1.95 0.00 0.00 55.36 52.86 3iw6 s GLN 120 Cb 0.00 -3.02 -0.10 0.00 -0.22 0.00 0.00 33.01 29.67 3iw6 s GLN 120 CO 0.00 0.60 0.97 -1.59 -0.25 0.00 0.00 175.29 175.01 3iw6 s LYS 121 N -2.38 4.27 0.30 2.91 -2.85 -1.26 -4.61 119.74 116.11 3iw6 s LYS 121 Ca 0.34 1.23 0.06 0.00 -1.00 0.00 0.00 55.97 56.61 3iw6 s LYS 121 Cb -0.13 -2.37 -0.02 0.00 -2.06 0.00 0.00 37.83 33.26 3iw6 s LYS 121 CO 0.25 0.00 0.42 -0.51 0.10 0.00 0.00 175.35 175.60 3iw6 s LEU 122 N -2.87 4.07 0.67 2.77 1.43 -0.39 -4.99 118.68 119.38 3iw6 s LEU 122 Ca 0.59 -0.12 -0.14 0.00 -1.03 0.00 0.00 54.13 53.44 3iw6 s LEU 122 Cb -0.13 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.34 3iw6 s LEU 122 CO 0.18 -0.29 1.09 0.42 0.23 0.00 0.00 176.35 177.98 3iw6 s THR 123 N -2.11 3.45 0.31 5.49 -4.23 -1.26 -4.77 115.64 112.52 3iw6 s THR 123 Ca 0.41 0.62 0.02 0.00 -1.18 0.00 0.00 61.69 61.56 3iw6 s THR 123 Cb -0.09 -3.15 0.29 0.00 1.34 0.00 0.00 72.50 70.88 3iw6 s THR 123 CO 0.30 -0.47 1.90 -0.78 -0.54 0.00 0.00 174.62 175.03 3iw6 h ASP 124 N -0.17 0.85 -0.59 3.99 3.58 -1.97 0.39 116.42 122.51 3iw6 h ASP 124 Ca -0.46 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 56.99 3iw6 h ASP 124 Cb 1.23 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 42.09 3iw6 h ASP 124 CO 0.54 0.53 0.31 0.44 -2.88 0.00 0.00 179.24 178.19 3iw6 h ASP 125 N 0.96 0.74 -0.28 2.28 5.19 -1.99 -0.22 116.42 123.10 3iw6 h ASP 125 Ca 0.40 -0.10 -0.11 0.00 -0.62 0.00 0.00 57.03 56.60 3iw6 h ASP 125 Cb 0.29 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.60 3iw6 h ASP 125 CO -0.16 0.63 -0.25 -0.74 -3.12 0.00 0.00 179.24 175.61 3iw6 h HIS 126 N 0.80 0.79 -0.87 4.55 2.76 -1.76 -2.05 115.15 119.37 3iw6 h HIS 126 Ca 0.21 -0.23 0.02 0.00 -2.20 0.00 0.00 60.37 58.17 3iw6 h HIS 126 Cb 0.06 -0.17 -0.05 0.00 1.55 0.00 0.00 27.41 28.80 3iw6 h HIS 126 CO -0.01 0.95 0.57 0.28 -1.30 0.00 0.00 177.93 178.42 3iw6 h VAL 127 N 0.40 1.17 -0.44 5.26 2.07 -0.79 -1.66 116.25 122.26 3iw6 h VAL 127 Ca 0.05 -0.39 0.04 0.00 0.82 0.00 0.00 66.70 67.22 3iw6 h VAL 127 Cb 0.81 -0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 3iw6 h VAL 127 CO 0.06 0.21 0.22 1.56 0.02 0.00 0.00 177.57 179.64 3iw6 h GLN 128 N 1.12 0.43 -0.45 1.57 4.20 -0.84 -0.94 115.11 120.20 3iw6 h GLN 128 Ca 0.34 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.92 3iw6 h GLN 128 Cb -0.05 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 3iw6 h GLN 128 CO -0.10 0.28 -0.13 0.35 -0.67 0.00 0.00 178.83 178.56 3iw6 h PHE 129 N 0.44 0.93 -0.08 2.96 3.57 -0.92 -0.69 116.94 123.15 3iw6 h PHE 129 Ca 0.19 -0.18 -0.12 0.00 3.53 0.00 0.00 57.97 61.39 3iw6 h PHE 129 Cb 0.10 -0.23 0.01 0.00 2.79 0.00 0.00 35.95 38.61 3iw6 h PHE 129 CO -0.10 0.91 -0.42 -0.07 -2.23 0.00 0.00 178.31 176.39 3iw6 h LEU 130 N 0.75 0.51 -0.42 0.59 3.38 -1.04 -2.57 115.31 116.50 3iw6 h LEU 130 Ca 0.12 -0.65 -0.15 0.00 0.09 0.00 0.00 57.88 57.28 3iw6 h LEU 130 Cb 0.64 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3iw6 h LEU 130 CO 0.04 1.08 -0.33 0.40 0.09 0.00 0.00 178.44 179.72 3iw6 h ILE 131 N -0.03 1.27 -0.40 1.22 1.08 -1.19 -2.19 117.51 117.28 3iw6 h ILE 131 Ca -0.03 -1.51 0.08 0.00 -0.39 0.00 0.00 64.86 63.01 3iw6 h ILE 131 Cb 1.08 1.29 -0.07 0.00 -3.07 0.00 0.00 36.82 36.05 3iw6 h ILE 131 CO 0.09 0.51 -0.10 0.22 -0.69 0.00 0.00 178.15 178.18 3iw6 h TYR 132 N 0.80 -0.21 -0.81 1.37 3.20 -1.15 -0.08 116.97 120.10 3iw6 h TYR 132 Ca 0.08 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 3iw6 h TYR 132 Cb 0.93 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 39.31 3iw6 h TYR 132 CO 0.06 -0.17 0.37 1.96 -1.64 0.00 0.00 178.16 178.74 3iw6 h GLN 133 N 0.00 1.17 -0.45 1.82 4.20 -1.29 -0.19 115.11 120.37 3iw6 h GLN 133 Ca 0.19 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 3iw6 h GLN 133 Cb 0.29 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3iw6 h GLN 133 CO -0.41 0.92 0.24 0.82 -0.67 0.00 0.00 178.83 179.73 3iw6 h ILE 134 N 1.16 1.17 -0.58 2.54 2.04 -0.88 -0.51 117.51 122.44 3iw6 h ILE 134 Ca 0.28 -0.44 -0.09 0.00 1.00 0.00 0.00 64.86 65.61 3iw6 h ILE 134 Cb 0.15 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3iw6 h ILE 134 CO -0.03 0.18 0.01 -0.07 0.00 0.00 0.00 178.15 178.23 3iw6 h LEU 135 N 0.59 0.98 -0.42 1.44 3.38 -0.74 -0.42 115.31 120.12 3iw6 h LEU 135 Ca 0.16 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 3iw6 h LEU 135 Cb 0.07 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3iw6 h LEU 135 CO -0.02 1.03 0.17 -0.09 0.09 0.00 0.00 178.44 179.62 3iw6 h ARG 136 N 0.92 0.63 -0.65 1.13 2.43 -0.68 0.19 114.38 118.34 3iw6 h ARG 136 Ca 0.17 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3iw6 h ARG 136 Cb 0.53 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 3iw6 h ARG 136 CO 0.03 0.58 0.36 0.78 -1.51 0.00 0.00 179.97 180.20 3iw6 h GLY 137 N 0.54 0.97 1.60 2.80 0.00 -0.95 -3.02 103.07 105.00 3iw6 h GLY 137 Ca 0.14 -0.44 -0.12 0.00 0.00 0.00 0.00 47.33 46.92 3iw6 h GLY 137 CO -0.01 0.42 -0.38 1.41 0.00 0.00 0.00 176.54 177.97 3iw6 h LEU 138 N 0.89 0.47 -0.67 3.11 3.38 -0.64 -0.99 115.31 120.86 3iw6 h LEU 138 Ca 0.23 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 58.04 3iw6 h LEU 138 Cb 0.03 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 3iw6 h LEU 138 CO -0.04 0.81 0.40 0.50 0.09 0.00 0.00 178.44 180.20 3iw6 h LYS 139 N 0.38 0.74 0.01 1.13 3.64 -0.59 0.10 116.57 121.98 3iw6 h LYS 139 Ca 0.04 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3iw6 h LYS 139 Cb 0.84 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 3iw6 h LYS 139 CO 0.07 0.49 -0.00 -0.92 -2.27 0.00 0.00 179.45 176.81 3iw6 h TYR 140 N 0.76 -0.01 -0.36 1.91 3.20 -1.29 0.41 116.97 121.60 3iw6 h TYR 140 Ca 0.28 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.18 3iw6 h TYR 140 Cb 0.09 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 3iw6 h TYR 140 CO -0.06 0.35 0.18 0.82 -1.64 0.00 0.00 178.16 177.81 3iw6 h ILE 141 N -0.37 0.98 -0.12 1.81 2.04 -1.11 -2.52 117.51 118.22 3iw6 h ILE 141 Ca -0.00 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 3iw6 h ILE 141 Cb 0.36 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3iw6 h ILE 141 CO 0.00 0.07 -0.21 0.45 0.00 0.00 0.00 178.15 178.46 3iw6 h HIS 142 N 0.37 0.21 0.00 1.37 3.86 -0.73 -2.06 115.15 118.16 3iw6 h HIS 142 Ca 0.15 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 3iw6 h HIS 142 Cb 0.06 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 3iw6 h HIS 142 CO -0.10 0.40 -0.05 0.66 0.86 0.00 0.00 177.93 179.70 3iw6 h SER 143 N 0.18 0.00 -0.31 2.45 4.64 -0.47 -1.81 113.55 118.23 3iw6 h SER 143 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3iw6 h SER 143 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3iw6 h SER 143 CO 0.03 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 176.04 3iw6 n ALA 144 N -2.13 2.57 -3.37 5.18 0.00 -0.80 -4.48 120.51 117.48 3iw6 n ALA 144 Ca -0.00 -0.61 -0.24 0.00 0.00 0.00 0.00 53.44 52.58 3iw6 n ALA 144 Cb 0.28 -0.99 0.03 0.00 0.00 0.00 0.00 19.45 18.77 3iw6 n ALA 144 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3iw6 n ASP 145 N 0.41 -5.30 -4.58 0.00 2.03 -0.68 -2.43 116.55 106.00 3iw6 n ASP 145 Ca 0.11 -0.45 -0.34 0.00 0.52 0.00 0.00 54.79 54.63 3iw6 n ASP 145 Cb 0.34 -4.27 -0.11 0.00 -0.72 0.00 0.00 41.12 36.36 3iw6 n ASP 145 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3iw6 s ILE 146 N -3.16 3.78 -0.16 5.18 1.01 -1.03 -4.98 121.20 121.84 3iw6 s ILE 146 Ca 0.44 -0.44 -0.04 0.00 0.00 0.00 0.00 60.65 60.61 3iw6 s ILE 146 Cb -0.21 -2.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.66 3iw6 s ILE 146 CO 0.55 0.58 -0.03 -0.63 0.00 0.00 0.00 174.94 175.41 3iw6 s ILE 147 N -0.62 3.95 -0.01 2.92 1.01 -1.26 -3.75 121.20 123.44 3iw6 s ILE 147 Ca 0.09 -0.33 -0.22 0.00 0.00 0.00 0.00 60.65 60.19 3iw6 s ILE 147 Cb -0.12 -2.74 -0.13 0.00 0.01 0.00 0.00 42.46 39.48 3iw6 s ILE 147 CO 0.02 0.49 0.94 -0.74 0.00 0.00 0.00 174.94 175.64 3iw6 h HIS 148 N 6.78 -0.60 0.00 3.97 -0.00 -1.96 -3.47 115.15 119.87 3iw6 h HIS 148 Ca -0.32 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.04 3iw6 h HIS 148 Cb 1.19 0.20 0.00 0.00 -0.00 0.00 0.00 27.41 28.79 3iw6 h HIS 148 CO 0.54 -0.30 0.00 0.54 -0.00 0.00 0.00 177.93 178.71 3iw6 n ARG 149 N -5.22 0.00 -2.79 5.26 1.74 -1.26 -4.78 116.66 109.61 3iw6 n ARG 149 Ca -0.09 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 56.96 3iw6 n ARG 149 Cb 0.29 -1.11 0.05 0.00 -1.02 0.00 0.00 32.46 30.66 3iw6 n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3iw6 n ASP 150 N 0.00 1.41 -4.69 0.55 4.64 -1.26 -4.94 116.55 112.25 3iw6 n ASP 150 Ca 0.00 -2.19 -0.42 0.00 -1.38 0.00 0.00 54.79 50.79 3iw6 n ASP 150 Cb 0.00 -0.44 -0.03 0.00 -1.04 0.00 0.00 41.12 39.61 3iw6 n ASP 150 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 3iw6 s LEU 151 N -3.65 4.32 0.23 -2.67 2.96 -1.26 -4.84 118.68 113.77 3iw6 s LEU 151 Ca 0.26 2.11 -0.22 0.00 -0.22 0.00 0.00 54.13 56.06 3iw6 s LEU 151 Cb 0.36 -3.56 0.04 0.00 0.50 0.00 0.00 46.19 43.53 3iw6 s LEU 151 CO -0.02 -0.71 0.68 -1.59 -1.32 0.00 0.00 176.35 173.39 3iw6 s LYS 152 N 2.32 1.57 0.35 1.98 -2.85 -1.26 -4.76 119.74 117.09 3iw6 s LYS 152 Ca 0.63 -0.78 0.10 0.00 -1.00 0.00 0.00 55.97 54.93 3iw6 s LYS 152 Cb -0.31 0.60 0.87 0.00 -2.06 0.00 0.00 37.83 36.92 3iw6 s LYS 152 CO 0.26 -0.71 1.81 -1.35 0.10 0.00 0.00 175.35 175.46 3iw6 h PRO 153 N 2.00 0.62 0.00 1.78 0.11 -1.94 -0.41 132.00 134.16 3iw6 h PRO 153 Ca -0.25 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3iw6 h PRO 153 Cb 1.27 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3iw6 h PRO 153 CO 0.29 0.41 0.00 0.66 -0.21 0.00 0.00 178.00 179.15 3iw6 h SER 154 N 0.64 0.00 -0.45 -2.05 4.64 -1.96 -2.50 113.55 111.86 3iw6 h SER 154 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 3iw6 h SER 154 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 3iw6 h SER 154 CO -0.30 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.25 3iw6 n ASN 155 N -2.58 3.19 -3.89 4.97 5.03 -0.17 -4.21 115.26 117.61 3iw6 n ASN 155 Ca 0.02 -2.23 -0.30 0.00 0.87 0.00 0.00 54.58 52.94 3iw6 n ASN 155 Cb 0.29 -0.44 -0.15 0.00 -1.02 0.00 0.00 39.78 38.46 3iw6 n ASN 155 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3iw6 s LEU 156 N -1.31 2.83 0.18 3.41 1.43 -1.08 -0.17 118.68 123.97 3iw6 s LEU 156 Ca 0.34 -1.48 -0.24 0.00 -1.03 0.00 0.00 54.13 51.73 3iw6 s LEU 156 Cb 0.21 -1.14 -0.08 0.00 0.03 0.00 0.00 46.19 45.20 3iw6 s LEU 156 CO 0.18 -0.32 0.76 0.00 0.23 0.00 0.00 176.35 177.20 3iw6 s ALA 157 N 1.39 3.44 -0.00 4.21 0.00 0.27 -1.83 121.76 129.24 3iw6 s ALA 157 Ca 0.02 0.30 0.01 0.00 0.00 0.00 0.00 51.96 52.29 3iw6 s ALA 157 Cb -0.18 -2.91 -0.00 0.00 0.00 0.00 0.00 23.12 20.03 3iw6 s ALA 157 CO -0.12 0.30 -0.03 0.08 0.00 0.00 0.00 175.76 176.00 3iw6 s VAL 158 N -1.25 0.22 0.13 0.00 1.01 0.39 -0.28 120.40 120.61 3iw6 s VAL 158 Ca 0.37 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.26 3iw6 s VAL 158 Cb -0.21 -0.19 0.02 0.00 0.00 0.00 0.00 36.38 36.00 3iw6 s VAL 158 CO 0.24 0.07 0.18 -0.46 0.00 0.00 0.00 175.10 175.13 3iw6 n ASN 159 N 3.07 0.33 0.17 3.32 0.23 0.04 -3.19 115.26 119.23 3iw6 n ASN 159 Ca -0.13 -1.26 0.13 0.00 -0.53 0.00 0.00 54.58 52.78 3iw6 n ASN 159 Cb 0.59 -0.11 0.30 0.00 -2.08 0.00 0.00 39.78 38.48 3iw6 n ASN 159 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3iw6 h GLU 160 N 0.00 0.00 -0.75 -3.83 4.11 -1.90 -2.13 114.58 110.09 3iw6 h GLU 160 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.37 3iw6 h GLU 160 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3iw6 h GLU 160 CO 0.07 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.90 3iw6 n ASP 161 N -2.69 2.43 -0.99 3.06 8.00 -1.26 -4.90 116.55 120.21 3iw6 n ASP 161 Ca 0.05 -2.27 -0.13 0.00 0.71 0.00 0.00 54.79 53.15 3iw6 n ASP 161 Cb 0.47 -0.50 -0.06 0.00 -0.02 0.00 0.00 41.12 41.02 3iw6 n ASP 161 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3iw6 n SER 162 N 0.23 -5.08 -4.73 -2.24 7.64 -0.80 -4.98 113.62 103.66 3iw6 n SER 162 Ca 0.10 0.32 -0.42 0.00 1.01 0.00 0.00 58.87 59.88 3iw6 n SER 162 Cb 0.52 -3.71 -0.03 0.00 -1.01 0.00 0.00 64.21 59.97 3iw6 n SER 162 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3iw6 s GLU 163 N -3.00 4.45 0.06 1.43 2.02 -1.26 -4.82 118.70 117.59 3iw6 s GLU 163 Ca 0.00 1.85 0.09 0.00 0.02 0.00 0.00 54.97 56.93 3iw6 s GLU 163 Cb 0.00 -3.28 -0.03 0.00 0.10 0.00 0.00 34.13 30.92 3iw6 s GLU 163 CO 0.00 -0.19 -0.25 -1.17 0.02 0.00 0.00 175.26 173.67 3iw6 s LEU 164 N 0.42 2.19 -0.02 1.80 0.20 -1.26 -0.78 118.68 121.22 3iw6 s LEU 164 Ca 0.56 -0.60 0.01 0.00 0.69 0.00 0.00 54.13 54.79 3iw6 s LEU 164 Cb -0.32 -1.21 0.01 0.00 -0.43 0.00 0.00 46.19 44.24 3iw6 s LEU 164 CO 0.33 0.22 -0.05 -0.54 -0.29 0.00 0.00 176.35 176.02 3iw6 s LYS 165 N -1.36 0.55 0.21 1.98 1.02 0.62 -4.28 119.74 118.48 3iw6 s LYS 165 Ca 0.11 -0.15 -0.30 0.00 0.02 0.00 0.00 55.97 55.65 3iw6 s LYS 165 Cb -0.10 -0.56 -0.08 0.00 -0.52 0.00 0.00 37.83 36.57 3iw6 s LYS 165 CO 0.03 0.05 0.97 0.42 -0.92 0.00 0.00 175.35 175.89 3iw6 s ILE 166 N 0.25 4.10 0.02 2.17 1.01 -0.09 -0.57 121.20 128.10 3iw6 s ILE 166 Ca -0.03 2.02 0.02 0.00 0.00 0.00 0.00 60.65 62.66 3iw6 s ILE 166 Cb -0.07 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 3iw6 s ILE 166 CO -0.00 0.44 0.02 -0.76 0.00 0.00 0.00 174.94 174.63 3iw6 s LEU 167 N -0.91 3.57 0.06 2.97 1.43 0.76 -0.52 118.68 126.04 3iw6 s LEU 167 Ca 0.43 -0.02 -0.27 0.00 -1.03 0.00 0.00 54.13 53.24 3iw6 s LEU 167 Cb -0.26 -2.11 -0.17 0.00 0.03 0.00 0.00 46.19 43.68 3iw6 s LEU 167 CO 0.32 0.25 1.57 -2.24 0.23 0.00 0.00 176.35 176.48 3iw6 h ASP 168 N 4.08 -0.31 -3.96 2.29 2.03 -1.94 -3.45 116.42 115.17 3iw6 h ASP 168 Ca -0.49 -0.06 -0.33 0.00 -0.73 0.00 0.00 57.03 55.42 3iw6 h ASP 168 Cb 1.17 0.08 -0.28 0.00 -0.83 0.00 0.00 39.33 39.47 3iw6 h ASP 168 CO 0.59 -0.13 -0.75 -0.36 -1.03 0.00 0.00 179.24 177.56 3iw6 s PHE 169 N -5.69 0.49 0.36 4.15 0.08 -1.26 -5.04 117.98 111.07 3iw6 s PHE 169 Ca -0.15 -0.11 0.06 0.00 0.12 0.00 0.00 56.93 56.85 3iw6 s PHE 169 Cb 0.04 -0.32 0.06 0.00 -0.57 0.00 0.00 43.02 42.23 3iw6 s PHE 169 CO 0.63 -0.01 0.48 0.41 -0.10 0.00 0.00 175.22 176.63 3iw6 n GLY 170 N 2.87 1.99 0.13 4.36 0.00 -1.26 -5.00 105.19 108.29 3iw6 n GLY 170 Ca -0.13 -2.19 -0.22 0.00 0.00 0.00 0.00 46.02 43.47 3iw6 n GLY 170 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3iw6 h LEU 171 N 0.00 0.50 -2.80 0.99 3.38 -2.01 -3.50 115.31 111.87 3iw6 h LEU 171 Ca -0.17 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 56.90 3iw6 h LEU 171 Cb 0.77 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3iw6 h LEU 171 CO 0.24 1.69 -0.22 0.55 0.09 0.00 0.00 178.44 180.79 3iw6 n VAL 183 N -3.79 -4.31 -2.18 1.22 3.14 -1.26 -5.03 118.33 106.12 3iw6 n VAL 183 Ca -0.24 0.41 -0.39 0.00 -2.96 0.00 0.00 64.34 61.16 3iw6 n VAL 183 Cb 0.98 -4.69 -0.01 0.00 -1.06 0.00 0.00 33.84 29.06 3iw6 n VAL 183 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3iw6 s ALA 184 N -0.46 3.17 0.02 1.55 0.00 -1.26 -4.93 121.76 119.84 3iw6 s ALA 184 Ca 0.00 1.08 0.10 0.00 0.00 0.00 0.00 51.96 53.15 3iw6 s ALA 184 Cb -0.00 -3.43 -0.13 0.00 0.00 0.00 0.00 23.12 19.56 3iw6 s ALA 184 CO 0.18 -0.68 1.27 1.79 0.00 0.00 0.00 175.76 178.31 3iw6 h THR 185 N 2.32 1.36 -0.47 0.00 1.35 -2.01 -3.08 112.91 112.37 3iw6 h THR 185 Ca -0.49 -2.96 0.14 0.00 -0.55 0.00 0.00 66.41 62.54 3iw6 h THR 185 Cb 1.24 2.66 -0.02 0.00 -1.73 0.00 0.00 68.15 70.30 3iw6 h THR 185 CO 0.62 0.77 0.38 0.03 -0.25 0.00 0.00 175.52 177.08 3iw6 h ARG 186 N 0.00 0.00 0.00 4.72 3.08 -1.98 -2.76 114.38 117.44 3iw6 h ARG 186 Ca -0.03 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 3iw6 h ARG 186 Cb 1.67 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.71 3iw6 h ARG 186 CO 0.10 0.00 -0.08 -1.49 -1.07 0.00 0.00 179.97 177.44 3iw6 h TRP 187 N 0.00 0.00 -0.05 3.04 6.55 -1.81 -2.03 115.95 121.65 3iw6 h TRP 187 Ca 0.22 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.06 3iw6 h TRP 187 Cb 0.99 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.29 3iw6 h TRP 187 CO 0.00 0.08 0.00 0.66 -1.05 0.00 0.00 178.44 178.13 3iw6 n TYR 188 N -4.18 0.03 -2.78 0.49 4.02 -1.04 -4.62 117.16 109.07 3iw6 n TYR 188 Ca -0.03 -0.02 -0.39 0.00 -0.01 0.00 0.00 57.90 57.45 3iw6 n TYR 188 Cb 0.16 -0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.42 3iw6 n TYR 188 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3iw6 s ARG 189 N -1.64 4.77 0.42 -0.72 0.52 -0.76 -3.89 118.95 117.64 3iw6 s ARG 189 Ca 0.24 1.42 -0.26 0.00 -0.52 0.00 0.00 55.73 56.61 3iw6 s ARG 189 Cb 0.17 -3.17 -0.08 0.00 0.52 0.00 0.00 34.95 32.38 3iw6 s ARG 189 CO 0.25 0.47 1.34 0.00 0.02 0.00 0.00 175.30 177.38 3iw6 s ALA 190 N -1.28 3.24 0.29 2.13 0.00 -1.26 -4.85 121.76 120.04 3iw6 s ALA 190 Ca 0.42 1.30 0.04 0.00 0.00 0.00 0.00 51.96 53.73 3iw6 s ALA 190 Cb -0.24 -3.52 0.71 0.00 0.00 0.00 0.00 23.12 20.07 3iw6 s ALA 190 CO 0.30 -0.94 1.75 -1.35 0.00 0.00 0.00 175.76 175.51 3iw6 h PRO 191 N 2.54 0.60 0.00 0.00 0.10 -1.95 -0.48 132.00 132.81 3iw6 h PRO 191 Ca -0.50 -0.04 -0.04 0.00 0.10 0.00 0.00 66.00 65.52 3iw6 h PRO 191 Cb 1.25 -0.14 -0.01 0.00 0.10 0.00 0.00 31.00 32.21 3iw6 h PRO 191 CO 0.62 0.40 -0.19 1.05 0.10 0.00 0.00 178.00 179.98 3iw6 h GLU 192 N 0.62 0.00 0.02 1.05 9.09 -1.92 -1.35 114.58 122.09 3iw6 h GLU 192 Ca 0.56 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.76 3iw6 h GLU 192 Cb 0.93 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.01 3iw6 h GLU 192 CO -0.43 0.19 -0.96 0.82 0.05 0.00 0.00 179.01 178.68 3iw6 h ILE 193 N 0.00 1.57 -0.03 -1.06 2.04 -1.45 -1.88 117.51 116.69 3iw6 h ILE 193 Ca -0.00 -2.93 -0.04 0.00 1.00 0.00 0.00 64.86 62.89 3iw6 h ILE 193 Cb 0.38 2.65 -0.01 0.00 -0.74 0.00 0.00 36.82 39.10 3iw6 h ILE 193 CO 0.02 0.85 -0.17 0.24 0.00 0.00 0.00 178.15 179.09 3iw6 h MET 194 N 0.06 0.04 -0.68 2.37 2.86 -0.67 -2.79 114.93 116.12 3iw6 h MET 194 Ca -0.05 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3iw6 h MET 194 Cb 1.64 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.30 3iw6 h MET 194 CO 0.14 0.22 0.00 1.28 1.06 0.00 0.00 176.91 179.61 3iw6 n LEU 195 N -4.31 3.67 -2.13 1.22 4.77 -0.61 -4.98 117.00 114.63 3iw6 n LEU 195 Ca -0.02 -1.82 -0.17 0.00 -0.03 0.00 0.00 56.01 53.97 3iw6 n LEU 195 Cb 0.25 -0.45 0.01 0.00 -2.33 0.00 0.00 43.42 40.90 3iw6 n LEU 195 CO 0.37 0.91 -0.11 -3.20 -1.33 0.00 0.00 177.39 174.03 3iw6 n ASN 196 N 1.51 -5.02 -4.75 -1.43 5.15 -0.93 -4.96 115.26 104.83 3iw6 n ASN 196 Ca 0.23 -0.11 -0.37 0.00 -0.60 0.00 0.00 54.58 53.72 3iw6 n ASN 196 Cb 0.58 -4.01 0.04 0.00 -0.53 0.00 0.00 39.78 35.86 3iw6 n ASN 196 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 3iw6 s TRP 197 N -2.93 2.32 -0.67 1.20 0.23 -0.75 -4.93 118.94 113.41 3iw6 s TRP 197 Ca 0.11 1.45 0.12 0.00 -2.03 0.00 0.00 56.10 55.75 3iw6 s TRP 197 Cb -0.05 -3.66 -0.11 0.00 0.03 0.00 0.00 33.47 29.68 3iw6 s TRP 197 CO 0.14 -2.61 0.55 -0.12 0.96 0.00 0.00 176.95 175.87 3iw6 n MET 198 N -1.31 2.80 -3.31 4.98 1.56 -1.26 -4.81 117.12 115.78 3iw6 n MET 198 Ca 0.12 -0.11 -0.38 0.00 -0.27 0.00 0.00 57.70 57.06 3iw6 n MET 198 Cb 0.47 -1.09 -0.06 0.00 2.15 0.00 0.00 33.22 34.69 3iw6 n MET 198 CO 0.00 0.00 0.00 -1.01 -0.73 0.00 0.00 175.97 174.23 3iw6 s HIS 199 N -2.06 3.51 -0.03 1.12 3.76 -1.26 -5.07 115.29 115.26 3iw6 s HIS 199 Ca 0.06 0.89 0.04 0.00 -0.15 0.00 0.00 55.06 55.89 3iw6 s HIS 199 Cb 0.09 -2.56 -0.00 0.00 1.11 0.00 0.00 32.58 31.22 3iw6 s HIS 199 CO 0.47 0.16 -0.13 0.71 -0.85 0.00 0.00 174.74 175.09 3iw6 s TYR 200 N 0.67 1.32 0.44 1.40 2.02 -1.26 -5.06 117.35 116.88 3iw6 s TYR 200 Ca 0.26 -0.34 -0.16 0.00 -0.37 0.00 0.00 57.07 56.46 3iw6 s TYR 200 Cb -0.15 -0.90 -0.09 0.00 -0.40 0.00 0.00 41.96 40.43 3iw6 s TYR 200 CO 0.10 -0.11 0.90 -0.80 -1.57 0.00 0.00 175.55 174.07 3iw6 s ASN 201 N 0.03 6.71 0.58 2.29 0.02 -1.26 -4.97 114.94 118.34 3iw6 s ASN 201 Ca -0.02 1.48 0.30 0.00 -1.02 0.00 0.00 52.86 53.60 3iw6 s ASN 201 Cb -0.09 -2.46 1.42 0.00 0.02 0.00 0.00 41.25 40.14 3iw6 s ASN 201 CO 0.01 -0.43 1.81 1.56 0.02 0.00 0.00 177.10 180.06 3iw6 h GLN 202 N 1.45 0.00 0.00 -0.60 4.20 -1.95 -2.04 115.11 116.17 3iw6 h GLN 202 Ca -0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.23 3iw6 h GLN 202 Cb 1.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.96 3iw6 h GLN 202 CO 0.62 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 179.03 3iw6 n THR 203 N -3.80 0.10 -0.08 -0.54 -2.24 -1.26 -1.53 114.28 104.92 3iw6 n THR 203 Ca 0.14 0.02 0.10 0.00 -2.27 0.00 0.00 64.05 62.05 3iw6 n THR 203 Cb 0.91 -0.71 0.48 0.00 -2.10 0.00 0.00 70.33 68.91 3iw6 n THR 203 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3iw6 h VAL 204 N 0.00 0.93 0.00 2.28 -1.51 -1.72 -1.53 116.25 114.70 3iw6 h VAL 204 Ca 0.00 -0.16 -0.11 0.00 -1.23 0.00 0.00 66.70 65.20 3iw6 h VAL 204 Cb 0.04 0.44 -0.02 0.00 -2.13 0.00 0.00 31.29 29.62 3iw6 h VAL 204 CO 0.00 0.08 -0.54 0.44 -1.23 0.00 0.00 177.57 176.32 3iw6 h ASP 205 N 0.45 0.00 -0.26 4.19 3.45 -1.53 -3.10 116.42 119.63 3iw6 h ASP 205 Ca 0.26 0.00 -0.14 0.00 0.43 0.00 0.00 57.03 57.58 3iw6 h ASP 205 Cb 0.44 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.21 3iw6 h ASP 205 CO -0.07 0.54 -0.40 0.40 -1.57 0.00 0.00 179.24 178.14 3iw6 h ILE 206 N 0.00 1.30 -0.66 0.35 1.08 -1.44 -1.86 117.51 116.29 3iw6 h ILE 206 Ca -0.01 -1.60 0.14 0.00 -0.39 0.00 0.00 64.86 63.01 3iw6 h ILE 206 Cb 1.10 1.70 -0.12 0.00 -3.07 0.00 0.00 36.82 36.44 3iw6 h ILE 206 CO 0.07 0.51 -0.05 -0.25 -0.69 0.00 0.00 178.15 177.74 3iw6 h TRP 207 N 0.46 -0.13 -0.60 1.37 2.91 -1.36 -1.18 115.95 117.42 3iw6 h TRP 207 Ca 0.02 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.10 3iw6 h TRP 207 Cb 0.99 0.16 -0.03 0.00 -0.51 0.00 0.00 29.16 29.77 3iw6 h TRP 207 CO 0.08 -0.22 0.39 0.77 -1.03 0.00 0.00 178.44 178.43 3iw6 h SER 208 N 0.08 0.70 -0.84 2.65 0.02 -1.39 -1.89 113.55 112.87 3iw6 h SER 208 Ca 0.34 -0.03 0.05 0.00 -0.84 0.00 0.00 61.79 61.31 3iw6 h SER 208 Cb 0.56 -0.18 -0.06 0.00 0.14 0.00 0.00 62.40 62.87 3iw6 h SER 208 CO -0.60 0.52 0.53 0.58 -1.14 0.00 0.00 176.83 176.72 3iw6 h VAL 209 N 0.82 1.08 -0.62 2.27 2.07 -0.86 -1.81 116.25 119.20 3iw6 h VAL 209 Ca 0.22 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3iw6 h VAL 209 Cb -0.08 -0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.66 3iw6 h VAL 209 CO -0.05 0.18 0.37 1.23 0.02 0.00 0.00 177.57 179.32 3iw6 h GLY 210 N 1.00 0.91 0.92 2.17 0.00 -0.65 -0.21 103.07 107.20 3iw6 h GLY 210 Ca 0.35 -0.39 0.02 0.00 0.00 0.00 0.00 47.33 47.32 3iw6 h GLY 210 CO -0.15 0.37 0.42 0.00 0.00 0.00 0.00 176.54 177.19 3iw6 h ILE 212 N 0.84 1.26 -0.34 0.00 2.04 -1.02 -2.87 117.51 117.43 3iw6 h ILE 212 Ca 0.26 -0.94 0.07 0.00 1.00 0.00 0.00 64.86 65.25 3iw6 h ILE 212 Cb -0.03 1.89 -0.06 0.00 -0.74 0.00 0.00 36.82 37.88 3iw6 h ILE 212 CO -0.09 0.24 -0.08 -0.03 0.00 0.00 0.00 178.15 178.19 3iw6 h MET 213 N -0.45 -0.00 -0.45 2.37 4.05 -0.97 -0.03 114.93 119.45 3iw6 h MET 213 Ca -0.00 0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.51 3iw6 h MET 213 Cb 0.42 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 31.13 3iw6 h MET 213 CO 0.01 -0.00 -0.14 0.00 0.23 0.00 0.00 176.91 177.00 3iw6 h ALA 214 N 1.34 0.24 -0.70 0.39 0.00 -1.21 -2.06 119.26 117.27 3iw6 h ALA 214 Ca 0.16 0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.25 3iw6 h ALA 214 Cb 0.25 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 3iw6 h ALA 214 CO -0.35 -0.48 0.46 1.49 0.00 0.00 0.00 179.25 180.37 3iw6 h GLU 215 N -0.04 0.91 -0.51 0.00 4.81 -1.14 -1.80 114.58 116.81 3iw6 h GLU 215 Ca 0.22 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.34 3iw6 h GLU 215 Cb 0.37 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3iw6 h GLU 215 CO -0.48 0.60 0.12 -0.07 -0.73 0.00 0.00 179.01 178.45 3iw6 h LEU 216 N 0.94 0.73 -0.23 1.64 3.38 -0.53 0.33 115.31 121.56 3iw6 h LEU 216 Ca 0.26 -0.12 -0.22 0.00 0.09 0.00 0.00 57.88 57.89 3iw6 h LEU 216 Cb -0.10 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.46 3iw6 h LEU 216 CO -0.06 0.72 -0.88 -0.07 0.09 0.00 0.00 178.44 178.23 3iw6 h LEU 217 N 0.76 0.53 0.00 1.67 3.38 -1.09 -1.03 115.31 119.53 3iw6 h LEU 217 Ca 0.17 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3iw6 h LEU 217 Cb 0.28 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3iw6 h LEU 217 CO -0.00 1.19 -1.29 0.35 0.09 0.00 0.00 178.44 178.77 3iw6 n THR 218 N -3.77 0.00 -0.83 0.22 -2.24 -0.70 -4.65 114.28 102.31 3iw6 n THR 218 Ca -0.06 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 3iw6 n THR 218 Cb 0.80 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 3iw6 n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iw6 n GLY 219 N 1.53 0.72 3.32 3.38 0.00 0.12 -4.71 105.19 109.55 3iw6 n GLY 219 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3iw6 n GLY 219 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3iw6 s ARG 220 N -0.30 2.30 -0.09 1.61 1.70 -1.24 -4.56 118.95 118.36 3iw6 s ARG 220 Ca 0.00 -0.89 -0.39 0.00 -0.47 0.00 0.00 55.73 53.98 3iw6 s ARG 220 Cb 0.00 -2.13 -0.18 0.00 -0.57 0.00 0.00 34.95 32.08 3iw6 s ARG 220 CO 0.00 0.52 1.41 2.41 -1.08 0.00 0.00 175.30 178.55 3iw6 n THR 221 N 2.57 0.07 -0.03 4.99 -1.04 -1.26 -3.97 114.28 115.61 3iw6 n THR 221 Ca -0.17 -0.01 -0.13 0.00 -2.04 0.00 0.00 64.05 61.70 3iw6 n THR 221 Cb 0.51 -0.70 -0.08 0.00 -1.82 0.00 0.00 70.33 68.25 3iw6 n THR 221 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3iw6 h LEU 222 N 4.90 0.17 -6.49 -4.42 6.46 -1.93 -3.39 115.31 110.62 3iw6 h LEU 222 Ca -0.48 -0.42 -0.60 0.00 -0.12 0.00 0.00 57.88 56.27 3iw6 h LEU 222 Cb 1.36 -0.05 -0.41 0.00 -0.73 0.00 0.00 40.66 40.83 3iw6 h LEU 222 CO 0.82 0.55 -0.70 0.49 -0.62 0.00 0.00 178.44 178.98 3iw6 n PHE 223 N -4.76 2.46 -2.23 1.25 3.01 -1.26 -5.01 117.46 110.92 3iw6 n PHE 223 Ca -0.07 -4.03 -0.42 0.00 1.01 0.00 0.00 57.45 53.93 3iw6 n PHE 223 Cb 0.26 -0.46 0.00 0.00 -0.01 0.00 0.00 39.48 39.27 3iw6 n PHE 223 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3iw6 n PRO 224 N 1.52 3.54 -1.80 -1.08 -0.04 -1.26 -4.69 135.00 131.19 3iw6 n PRO 224 Ca 0.25 -3.39 -0.40 0.00 -0.04 0.00 0.00 63.50 59.93 3iw6 n PRO 224 Cb 0.41 -2.97 0.02 0.00 -0.04 0.00 0.00 33.50 30.93 3iw6 n PRO 224 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3iw6 s GLY 225 N 1.16 2.92 0.45 0.55 0.00 -1.26 -4.92 107.32 106.22 3iw6 s GLY 225 Ca 0.41 1.45 0.27 0.00 0.00 0.00 0.00 44.72 46.85 3iw6 s GLY 225 CO -0.01 2.05 1.76 -0.91 0.00 0.00 0.00 173.10 175.99 3iw6 h THR 226 N 2.20 0.00 -2.28 0.90 1.35 -1.93 -3.45 112.91 109.70 3iw6 h THR 226 Ca -0.51 -0.74 0.03 0.00 -0.55 0.00 0.00 66.41 64.64 3iw6 h THR 226 Cb 1.27 1.73 -0.00 0.00 -1.73 0.00 0.00 68.15 69.42 3iw6 h THR 226 CO 0.61 0.00 0.21 -0.90 -0.25 0.00 0.00 175.52 175.19 3iw6 n ASP 227 N -2.98 -1.01 -0.10 5.36 3.85 -1.26 -5.05 116.55 115.36 3iw6 n ASP 227 Ca 0.03 -1.63 -0.09 0.00 -0.71 0.00 0.00 54.79 52.39 3iw6 n ASP 227 Cb 0.43 1.66 -0.01 0.00 -1.35 0.00 0.00 41.12 41.84 3iw6 n ASP 227 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.20 176.64 3iw6 h HIS 228 N 1.49 0.45 -0.17 2.11 3.86 -2.00 -1.88 115.15 119.01 3iw6 h HIS 228 Ca -0.15 -0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 58.85 3iw6 h HIS 228 Cb 0.60 -0.15 0.01 0.00 1.06 0.00 0.00 27.41 28.93 3iw6 h HIS 228 CO 0.00 0.34 -0.72 0.82 0.86 0.00 0.00 177.93 179.22 3iw6 h ILE 229 N 0.43 1.29 -0.81 2.45 1.08 -1.99 -2.24 117.51 117.73 3iw6 h ILE 229 Ca 0.12 -1.95 0.03 0.00 -0.39 0.00 0.00 64.86 62.67 3iw6 h ILE 229 Cb 0.02 1.93 -0.05 0.00 -3.07 0.00 0.00 36.82 35.65 3iw6 h ILE 229 CO -0.02 0.62 0.52 -0.78 -0.69 0.00 0.00 178.15 177.80 3iw6 h ASP 230 N 0.52 0.87 -0.27 1.72 -0.00 -1.95 0.06 116.42 117.37 3iw6 h ASP 230 Ca -0.04 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.03 56.98 3iw6 h ASP 230 Cb 1.34 -0.20 -0.01 0.00 -0.00 0.00 0.00 39.33 40.45 3iw6 h ASP 230 CO 0.15 0.61 0.16 -0.61 -0.00 0.00 0.00 179.24 179.54 3iw6 h GLN 231 N 1.03 0.38 -0.57 0.28 4.15 -1.19 -0.54 115.11 118.64 3iw6 h GLN 231 Ca 0.32 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.67 3iw6 h GLN 231 Cb -0.02 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 27.57 3iw6 h GLN 231 CO -0.10 0.31 0.22 -0.07 -1.93 0.00 0.00 178.83 177.26 3iw6 h LEU 232 N 0.34 0.76 -0.46 -2.39 3.38 -0.96 -1.21 115.31 114.77 3iw6 h LEU 232 Ca 0.10 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iw6 h LEU 232 Cb 0.04 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3iw6 h LEU 232 CO -0.02 0.70 0.30 0.11 0.09 0.00 0.00 178.44 179.62 3iw6 h LYS 233 N 0.82 0.61 -0.71 1.13 1.57 -0.64 -0.31 116.57 119.05 3iw6 h LYS 233 Ca 0.19 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 3iw6 h LYS 233 Cb 0.18 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 3iw6 h LYS 233 CO -0.02 0.42 0.25 -0.07 -0.57 0.00 0.00 179.45 179.46 3iw6 h LEU 234 N 0.62 0.99 -0.05 2.94 3.38 -0.63 -1.36 115.31 121.20 3iw6 h LEU 234 Ca 0.17 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3iw6 h LEU 234 Cb -0.06 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.43 3iw6 h LEU 234 CO -0.04 0.91 0.02 0.40 0.09 0.00 0.00 178.44 179.82 3iw6 h ILE 235 N 1.04 1.14 -0.12 1.22 2.04 -1.01 -2.87 117.51 118.96 3iw6 h ILE 235 Ca 0.23 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 3iw6 h ILE 235 Cb 0.25 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 3iw6 h ILE 235 CO -0.01 0.11 -0.08 -0.07 0.00 0.00 0.00 178.15 178.10 3iw6 h LEU 236 N -0.08 0.16 -1.07 1.44 3.38 -0.77 -0.95 115.31 117.41 3iw6 h LEU 236 Ca 0.02 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3iw6 h LEU 236 Cb 0.17 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3iw6 h LEU 236 CO -0.00 0.27 -0.11 -0.09 0.09 0.00 0.00 178.44 178.59 3iw6 h ARG 237 N 0.17 0.53 0.09 1.13 2.43 -1.10 0.61 114.38 118.23 3iw6 h ARG 237 Ca 0.04 -0.15 -0.15 0.00 -0.81 0.00 0.00 59.98 58.90 3iw6 h ARG 237 Cb 0.26 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3iw6 h ARG 237 CO 0.01 0.64 -0.72 1.25 -1.51 0.00 0.00 179.97 179.64 3iw6 h LEU 238 N 0.49 0.29 -1.23 3.80 5.85 -1.10 -3.40 115.31 120.02 3iw6 h LEU 238 Ca 0.09 -0.92 0.00 0.00 0.84 0.00 0.00 57.88 57.89 3iw6 h LEU 238 Cb 0.49 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.43 3iw6 h LEU 238 CO 0.03 1.33 -0.31 1.33 -0.34 0.00 0.00 178.44 180.48 3iw6 n VAL 239 N -4.25 0.00 -0.12 1.05 0.24 -0.45 -0.86 118.33 113.94 3iw6 n VAL 239 Ca -0.16 -0.32 0.01 0.00 -2.04 0.00 0.00 64.34 61.84 3iw6 n VAL 239 Cb 0.73 1.23 -0.01 0.00 -1.47 0.00 0.00 33.84 34.32 3iw6 n VAL 239 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iw6 n GLY 240 N 1.38 -2.42 3.79 7.63 0.00 0.20 -4.30 105.19 111.47 3iw6 n GLY 240 Ca 0.11 -1.44 -0.33 0.00 0.00 0.00 0.00 46.02 44.36 3iw6 n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iw6 s THR 241 N -2.72 3.53 0.11 2.61 -4.23 -0.71 -4.74 115.64 109.48 3iw6 s THR 241 Ca 0.00 0.80 -0.35 0.00 -1.18 0.00 0.00 61.69 60.96 3iw6 s THR 241 Cb 0.00 -3.30 -0.15 0.00 1.34 0.00 0.00 72.50 70.39 3iw6 s THR 241 CO 0.00 -0.36 1.52 -2.65 -0.54 0.00 0.00 174.62 172.59 3iw6 n PRO 242 N -1.82 1.79 -0.91 3.99 -0.02 -1.26 -4.84 135.00 131.93 3iw6 n PRO 242 Ca 0.10 0.65 -0.19 0.00 -2.02 0.00 0.00 63.50 62.04 3iw6 n PRO 242 Cb 0.52 -2.37 0.15 0.00 -0.02 0.00 0.00 33.50 31.77 3iw6 n PRO 242 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iw6 n GLY 243 N 3.18 -2.07 0.31 -1.23 0.00 -1.26 -4.78 105.19 99.35 3iw6 n GLY 243 Ca 0.18 -1.58 -0.06 0.00 0.00 0.00 0.00 46.02 44.57 3iw6 n GLY 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iw6 h ALA 244 N -2.20 1.03 -0.59 4.61 0.00 -1.99 -2.12 119.26 118.00 3iw6 h ALA 244 Ca -0.27 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 3iw6 h ALA 244 Cb 0.77 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3iw6 h ALA 244 CO 0.18 0.63 0.05 1.49 0.00 0.00 0.00 179.25 181.59 3iw6 h GLU 245 N 0.96 1.01 -0.22 0.00 4.81 -2.00 -2.72 114.58 116.42 3iw6 h GLU 245 Ca 0.20 -0.30 -0.14 0.00 -0.13 0.00 0.00 59.36 58.99 3iw6 h GLU 245 Cb 0.37 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3iw6 h GLU 245 CO 0.00 0.97 -0.41 1.25 -0.73 0.00 0.00 179.01 180.10 3iw6 h LEU 246 N 0.90 0.74 -1.35 1.64 5.85 -1.90 -3.19 115.31 118.00 3iw6 h LEU 246 Ca 0.17 -0.54 0.05 0.00 0.84 0.00 0.00 57.88 58.40 3iw6 h LEU 246 Cb 0.49 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 3iw6 h LEU 246 CO 0.02 1.14 0.47 0.25 -0.34 0.00 0.00 178.44 179.99 3iw6 h LEU 247 N 0.37 0.71 -2.02 2.25 6.46 -1.36 -1.14 115.31 120.58 3iw6 h LEU 247 Ca 0.01 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 3iw6 h LEU 247 Cb 1.01 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.78 3iw6 h LEU 247 CO 0.09 0.47 0.00 0.11 -0.62 0.00 0.00 178.44 178.49 3iw6 h LYS 248 N 0.81 0.00 -0.39 1.25 1.57 -1.47 -2.67 116.57 115.67 3iw6 h LYS 248 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3iw6 h LYS 248 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3iw6 h LYS 248 CO -0.09 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.42 3iw6 n LYS 249 N -2.71 2.32 -3.07 3.15 5.02 -0.43 -4.87 118.16 117.57 3iw6 n LYS 249 Ca -0.01 -2.00 -0.43 0.00 -2.02 0.00 0.00 58.31 53.84 3iw6 n LYS 249 Cb 0.10 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.57 3iw6 n LYS 249 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3iw6 s ILE 250 N -1.50 4.79 0.10 -0.18 -1.09 -1.01 -4.95 121.20 117.36 3iw6 s ILE 250 Ca 0.38 0.26 -0.15 0.00 -2.23 0.00 0.00 60.65 58.91 3iw6 s ILE 250 Cb 0.21 -4.22 -0.08 0.00 -1.58 0.00 0.00 42.46 36.80 3iw6 s ILE 250 CO 0.30 -0.59 1.44 0.77 -1.23 0.00 0.00 174.94 175.63 3iw6 h SER 251 N 8.85 0.72 -2.74 3.58 4.64 -1.90 -3.44 113.55 123.26 3iw6 h SER 251 Ca -0.25 -0.44 -0.56 0.00 -0.47 0.00 0.00 61.79 60.06 3iw6 h SER 251 Cb 1.09 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.96 3iw6 h SER 251 CO 0.90 1.01 1.07 -0.55 -0.87 0.00 0.00 176.83 178.40 3iw6 s SER 252 N -6.46 6.59 0.23 4.97 0.15 -1.26 -4.90 113.70 113.01 3iw6 s SER 252 Ca -0.13 1.86 -0.07 0.00 0.70 0.00 0.00 55.95 58.31 3iw6 s SER 252 Cb 0.09 -2.53 0.28 0.00 -1.71 0.00 0.00 66.02 62.15 3iw6 s SER 252 CO 0.82 -1.04 1.84 -0.08 1.20 0.00 0.00 173.24 175.97 3iw6 h GLU 253 N 9.82 0.83 -0.44 5.44 4.81 -2.00 -0.58 114.58 132.47 3iw6 h GLU 253 Ca -0.34 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 58.75 3iw6 h GLU 253 Cb 1.15 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 3iw6 h GLU 253 CO 0.98 0.55 -0.05 0.66 -0.73 0.00 0.00 179.01 180.42 3iw6 h SER 254 N 0.86 0.80 0.08 1.04 4.64 -1.98 -0.36 113.55 118.63 3iw6 h SER 254 Ca 0.34 -0.33 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3iw6 h SER 254 Cb 0.16 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 3iw6 h SER 254 CO -0.17 0.94 -0.11 0.00 -0.87 0.00 0.00 176.83 176.62 3iw6 h ALA 255 N 0.88 -0.19 -0.30 5.18 0.00 -1.90 0.37 119.26 123.30 3iw6 h ALA 255 Ca 0.12 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.08 3iw6 h ALA 255 Cb 0.56 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.44 3iw6 h ALA 255 CO 0.03 -0.63 -0.34 -0.09 0.00 0.00 0.00 179.25 178.23 3iw6 h ARG 256 N -0.23 -0.30 -0.83 0.00 2.43 -0.96 -0.20 114.38 114.30 3iw6 h ARG 256 Ca 0.01 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 3iw6 h ARG 256 Cb 0.24 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 3iw6 h ARG 256 CO -0.05 -0.20 0.38 -0.91 -1.51 0.00 0.00 179.97 177.68 3iw6 h ASN 257 N -0.31 1.09 -0.06 -3.80 2.35 -0.94 -1.82 115.58 112.09 3iw6 h ASN 257 Ca 0.14 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3iw6 h ASN 257 Cb 0.55 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.63 3iw6 h ASN 257 CO -0.47 0.93 0.04 0.22 -1.65 0.00 0.00 177.43 176.49 3iw6 h TYR 258 N 1.18 0.08 -0.81 1.19 3.20 -0.45 -2.49 116.97 118.87 3iw6 h TYR 258 Ca 0.28 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.17 3iw6 h TYR 258 Cb 0.14 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 3iw6 h TYR 258 CO 0.02 0.12 0.53 0.82 -1.64 0.00 0.00 178.16 178.00 3iw6 h ILE 259 N 0.02 1.17 0.00 1.81 2.04 -0.63 -1.65 117.51 120.27 3iw6 h ILE 259 Ca 0.02 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.48 3iw6 h ILE 259 Cb 0.06 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.16 3iw6 h ILE 259 CO -0.00 0.19 -0.18 1.56 0.00 0.00 0.00 178.15 179.72 3iw6 h GLN 260 N 1.05 0.00 0.00 2.37 4.20 -1.33 -1.99 115.11 119.41 3iw6 h GLN 260 Ca 0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.02 3iw6 h GLN 260 Cb -0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.71 3iw6 h GLN 260 CO -0.09 0.18 0.00 -1.13 -0.67 0.00 0.00 178.83 177.12 3iw6 n SER 261 N -3.90 0.00 -4.82 1.46 3.41 -0.63 -4.84 113.62 104.30 3iw6 n SER 261 Ca -0.02 0.35 -0.36 0.00 -0.26 0.00 0.00 58.87 58.58 3iw6 n SER 261 Cb 0.27 -0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 63.72 3iw6 n SER 261 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3iw6 s LEU 262 N -2.88 4.36 -0.08 1.04 1.43 -0.75 -5.01 118.68 116.79 3iw6 s LEU 262 Ca 0.13 1.31 -0.29 0.00 -1.03 0.00 0.00 54.13 54.24 3iw6 s LEU 262 Cb 0.14 -3.43 -0.06 0.00 0.03 0.00 0.00 46.19 42.87 3iw6 s LEU 262 CO 0.38 0.07 1.77 -0.89 0.23 0.00 0.00 176.35 177.91 3iw6 s THR 263 N -1.47 3.42 0.27 5.49 2.01 -1.26 -4.93 115.64 119.17 3iw6 s THR 263 Ca 0.40 0.50 -0.28 0.00 0.31 0.00 0.00 61.69 62.62 3iw6 s THR 263 Cb -0.16 -3.36 -0.15 0.00 0.01 0.00 0.00 72.50 68.84 3iw6 s THR 263 CO 0.20 -0.09 0.97 0.00 -0.69 0.00 0.00 174.62 175.01 3iw6 n GLN 264 N 7.47 1.18 -3.89 4.92 6.02 -1.26 -4.94 117.38 126.88 3iw6 n GLN 264 Ca 0.19 0.41 -0.17 0.00 -0.01 0.00 0.00 57.00 57.43 3iw6 n GLN 264 Cb 0.43 -1.75 -0.16 0.00 1.02 0.00 0.00 30.24 29.78 3iw6 n GLN 264 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 3iw6 s MET 265 N -1.38 0.25 0.57 -1.09 1.75 -1.26 -5.00 119.30 113.15 3iw6 s MET 265 Ca 0.61 0.10 -0.18 0.00 -1.25 0.00 0.00 55.69 54.97 3iw6 s MET 265 Cb -0.74 -0.46 -0.04 0.00 2.84 0.00 0.00 34.83 36.42 3iw6 s MET 265 CO 0.59 -0.15 1.12 -1.25 -0.65 0.00 0.00 175.02 174.68 3iw6 s PRO 266 N 1.10 3.22 0.45 4.11 0.04 -1.26 -1.74 135.00 140.91 3iw6 s PRO 266 Ca -0.09 1.54 -0.25 0.00 0.04 0.00 0.00 61.00 62.25 3iw6 s PRO 266 Cb -0.13 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 3iw6 s PRO 266 CO -0.02 -0.94 1.35 0.21 0.04 0.00 0.00 177.00 177.64 3iw6 s LYS 267 N -3.51 3.72 0.40 4.56 2.20 -1.26 -3.92 119.74 121.92 3iw6 s LYS 267 Ca 0.71 2.25 -0.15 0.00 -0.36 0.00 0.00 55.97 58.43 3iw6 s LYS 267 Cb -0.23 -2.62 -0.08 0.00 -1.51 0.00 0.00 37.83 33.39 3iw6 s LYS 267 CO 0.31 -0.73 0.82 -1.64 -0.36 0.00 0.00 175.35 173.74 3iw6 s MET 268 N -2.45 3.95 -0.15 4.03 -1.94 -0.04 -4.88 119.30 117.82 3iw6 s MET 268 Ca 0.61 0.72 -0.29 0.00 -1.71 0.00 0.00 55.69 55.01 3iw6 s MET 268 Cb -0.40 -2.33 -0.02 0.00 2.01 0.00 0.00 34.83 34.09 3iw6 s MET 268 CO 0.51 -0.01 1.34 1.21 -0.01 0.00 0.00 175.02 178.06 3iw6 s ASN 269 N -2.69 6.88 0.50 3.03 3.04 -1.26 -4.94 114.94 119.49 3iw6 s ASN 269 Ca 0.55 1.77 0.28 0.00 0.04 0.00 0.00 52.86 55.50 3iw6 s ASN 269 Cb -0.10 -2.54 1.23 0.00 -1.54 0.00 0.00 41.25 38.30 3iw6 s ASN 269 CO 0.24 -0.81 1.95 -0.26 -3.04 0.00 0.00 177.10 175.18 3iw6 h PHE 270 N 8.50 0.00 -0.88 0.43 0.05 -1.95 -1.49 116.94 121.60 3iw6 h PHE 270 Ca -0.29 0.00 0.07 0.00 3.82 0.00 0.00 57.97 61.57 3iw6 h PHE 270 Cb 1.12 0.00 -0.06 0.00 2.00 0.00 0.00 35.95 39.01 3iw6 h PHE 270 CO 0.82 0.14 0.58 0.00 -0.18 0.00 0.00 178.31 179.67 3iw6 h ALA 271 N 1.86 1.54 0.00 2.45 0.00 -1.92 0.28 119.26 123.47 3iw6 h ALA 271 Ca -0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3iw6 h ALA 271 Cb 0.55 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3iw6 h ALA 271 CO 0.02 0.33 -0.24 -0.91 0.00 0.00 0.00 179.25 178.45 3iw6 h ASN 272 N 0.99 0.00 0.30 0.00 2.35 -1.68 -3.28 115.58 114.26 3iw6 h ASN 272 Ca 0.38 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.80 3iw6 h ASN 272 Cb 0.21 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 3iw6 h ASN 272 CO -0.14 0.24 -1.75 0.58 -1.65 0.00 0.00 177.43 174.71 3iw6 h VAL 273 N 0.00 0.90 -2.60 2.81 2.07 -1.26 -3.40 116.25 114.77 3iw6 h VAL 273 Ca -0.00 -2.58 -0.69 0.00 0.82 0.00 0.00 66.70 64.25 3iw6 h VAL 273 Cb 0.94 2.64 -0.36 0.00 -1.52 0.00 0.00 31.29 32.99 3iw6 h VAL 273 CO 0.03 0.81 -0.03 0.49 0.02 0.00 0.00 177.57 178.89 3iw6 n PHE 274 N -3.44 3.20 -2.02 1.57 3.01 0.94 -5.04 117.46 115.68 3iw6 n PHE 274 Ca -0.23 -3.58 -0.42 0.00 1.01 0.00 0.00 57.45 54.23 3iw6 n PHE 274 Cb 1.05 -0.88 -0.03 0.00 -0.01 0.00 0.00 39.48 39.62 3iw6 n PHE 274 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3iw6 s ILE 275 N -2.47 3.46 0.00 4.37 -1.09 -1.25 -2.64 121.20 121.58 3iw6 s ILE 275 Ca 0.35 0.71 0.00 0.00 -2.23 0.00 0.00 60.65 59.48 3iw6 s ILE 275 Cb 0.09 -3.46 0.00 0.00 -1.58 0.00 0.00 42.46 37.51 3iw6 s ILE 275 CO 0.02 -0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.30 3iw6 n GLY 276 N 4.01 0.83 3.77 6.18 0.00 -1.26 -5.04 105.19 113.69 3iw6 n GLY 276 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3iw6 n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iw6 s ALA 277 N -3.26 2.58 -0.12 4.61 0.00 -1.08 -4.95 121.76 119.55 3iw6 s ALA 277 Ca 0.00 0.72 -0.40 0.00 0.00 0.00 0.00 51.96 52.28 3iw6 s ALA 277 Cb 0.00 -3.35 -0.19 0.00 0.00 0.00 0.00 23.12 19.58 3iw6 s ALA 277 CO 0.00 -1.03 1.14 -1.71 0.00 0.00 0.00 175.76 174.16 3iw6 n ASN 278 N -1.82 0.28 0.24 0.00 2.85 -1.26 -4.83 115.26 110.73 3iw6 n ASN 278 Ca 0.11 1.11 0.10 0.00 -0.11 0.00 0.00 54.58 55.80 3iw6 n ASN 278 Cb 0.51 -0.87 0.60 0.00 1.24 0.00 0.00 39.78 41.27 3iw6 n ASN 278 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3iw6 h PRO 279 N 3.33 0.00 -0.52 1.20 0.11 -1.98 -0.88 132.00 133.26 3iw6 h PRO 279 Ca -0.47 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 3iw6 h PRO 279 Cb 1.35 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.44 3iw6 h PRO 279 CO 0.70 0.19 -0.03 -0.07 -0.21 0.00 0.00 178.00 178.57 3iw6 h LEU 280 N 0.00 0.88 -0.41 2.35 3.38 -1.99 -0.58 115.31 118.94 3iw6 h LEU 280 Ca -0.00 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 3iw6 h LEU 280 Cb 0.47 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3iw6 h LEU 280 CO 0.02 0.96 0.25 0.00 0.09 0.00 0.00 178.44 179.76 3iw6 h ALA 281 N 1.13 0.53 -0.29 1.53 0.00 -1.55 -0.77 119.26 119.84 3iw6 h ALA 281 Ca 0.15 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3iw6 h ALA 281 Cb 0.54 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3iw6 h ALA 281 CO 0.03 0.02 0.18 0.28 0.00 0.00 0.00 179.25 179.76 3iw6 h VAL 282 N 0.55 1.05 -0.70 0.00 2.07 -1.15 -1.06 116.25 117.01 3iw6 h VAL 282 Ca 0.15 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.58 3iw6 h VAL 282 Cb 0.00 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 3iw6 h VAL 282 CO -0.03 0.07 0.43 -0.78 0.02 0.00 0.00 177.57 177.28 3iw6 h ASP 283 N 0.37 0.69 -0.38 0.57 3.58 -0.78 -2.24 116.42 118.22 3iw6 h ASP 283 Ca 0.11 0.01 -0.15 0.00 0.42 0.00 0.00 57.03 57.42 3iw6 h ASP 283 Cb -0.02 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 3iw6 h ASP 283 CO -0.04 0.47 -0.34 0.25 -2.88 0.00 0.00 179.24 176.71 3iw6 h LEU 284 N 0.83 0.97 -0.95 2.28 5.85 -0.72 -2.97 115.31 120.60 3iw6 h LEU 284 Ca 0.29 -0.42 0.04 0.00 0.84 0.00 0.00 57.88 58.62 3iw6 h LEU 284 Cb 0.06 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.76 3iw6 h LEU 284 CO -0.12 1.21 0.62 -0.07 -0.34 0.00 0.00 178.44 179.73 3iw6 h LEU 285 N 0.77 1.03 -1.55 2.25 3.38 -0.94 -1.02 115.31 119.22 3iw6 h LEU 285 Ca 0.07 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.10 3iw6 h LEU 285 Cb 0.92 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 3iw6 h LEU 285 CO 0.09 0.70 0.40 -0.33 0.09 0.00 0.00 178.44 179.39 3iw6 h GLU 286 N 1.19 0.52 0.00 1.13 4.39 -1.29 0.95 114.58 121.48 3iw6 h GLU 286 Ca 0.38 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.05 3iw6 h GLU 286 Cb 0.00 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 3iw6 h GLU 286 CO -0.12 0.35 -0.38 0.87 -1.16 0.00 0.00 179.01 178.56 3iw6 h LYS 287 N 0.54 0.00 0.10 2.33 1.57 -1.19 -3.34 116.57 116.59 3iw6 h LYS 287 Ca 0.26 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.70 3iw6 h LYS 287 Cb 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 3iw6 h LYS 287 CO -0.08 0.00 -1.87 0.52 -0.57 0.00 0.00 179.45 177.46 3iw6 h MET 288 N 0.00 0.21 -2.43 3.15 2.86 -0.56 -1.25 114.93 116.91 3iw6 h MET 288 Ca 0.00 -0.36 -0.77 0.00 -2.06 0.00 0.00 59.70 56.52 3iw6 h MET 288 Cb 0.87 0.13 -0.30 0.00 0.06 0.00 0.00 31.60 32.37 3iw6 h MET 288 CO 0.00 1.04 0.64 1.28 1.06 0.00 0.00 176.91 180.93 3iw6 n LEU 289 N -3.38 6.50 -4.59 1.22 4.77 0.27 -4.11 117.00 117.68 3iw6 n LEU 289 Ca -0.26 -5.39 -0.34 0.00 -0.03 0.00 0.00 56.01 49.99 3iw6 n LEU 289 Cb 1.05 -1.08 -0.11 0.00 -2.33 0.00 0.00 43.42 40.95 3iw6 n LEU 289 CO 0.45 2.00 -0.35 0.54 -1.33 0.00 0.00 177.39 178.69 3iw6 s VAL 290 N -3.83 3.92 0.16 4.08 0.11 -1.26 -4.86 120.40 118.72 3iw6 s VAL 290 Ca 0.38 -0.38 -0.15 0.00 -2.93 0.00 0.00 61.98 58.90 3iw6 s VAL 290 Cb 0.16 -2.64 0.03 0.00 -1.53 0.00 0.00 36.38 32.40 3iw6 s VAL 290 CO -0.06 0.58 1.81 0.25 -3.33 0.00 0.00 175.10 174.35 3iw6 h LEU 291 N 5.55 0.53 -8.93 2.54 5.85 -1.92 -3.40 115.31 115.54 3iw6 h LEU 291 Ca -0.45 -0.03 -0.57 0.00 0.84 0.00 0.00 57.88 57.67 3iw6 h LEU 291 Cb 1.18 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 3iw6 h LEU 291 CO 0.55 0.41 1.04 -0.62 -0.34 0.00 0.00 178.44 179.48 3iw6 s ASP 292 N -5.64 6.49 0.40 1.25 -1.08 -1.26 -4.89 116.67 111.94 3iw6 s ASP 292 Ca -0.13 1.20 0.29 0.00 -0.52 0.00 0.00 52.55 53.38 3iw6 s ASP 292 Cb 0.11 -2.54 1.25 0.00 -1.46 0.00 0.00 42.92 40.28 3iw6 s ASP 292 CO 0.74 -1.23 1.85 0.77 0.52 0.00 0.00 175.17 177.82 3iw6 h SER 293 N 10.09 0.00 1.13 -0.34 4.64 -1.98 -1.06 113.55 126.03 3iw6 h SER 293 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3iw6 h SER 293 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3iw6 h SER 293 CO 1.04 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 177.47 3iw6 n ASP 294 N -2.60 0.76 -0.35 4.97 10.43 -1.26 -3.30 116.55 125.20 3iw6 n ASP 294 Ca 0.01 0.62 0.08 0.00 2.57 0.00 0.00 54.79 58.07 3iw6 n ASP 294 Cb 0.22 -0.81 -0.00 0.00 1.84 0.00 0.00 41.12 42.37 3iw6 n ASP 294 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 3iw6 n LYS 295 N -2.27 1.72 -2.42 -1.24 4.76 -0.41 -4.96 118.16 113.34 3iw6 n LYS 295 Ca 0.04 -0.78 -0.39 0.00 -2.87 0.00 0.00 58.31 54.31 3iw6 n LYS 295 Cb 0.34 -1.25 -0.03 0.00 -1.84 0.00 0.00 35.03 32.24 3iw6 n LYS 295 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3iw6 s ARG 296 N -1.84 4.33 0.44 1.97 0.52 -1.21 -4.97 118.95 118.20 3iw6 s ARG 296 Ca 0.13 1.76 -0.25 0.00 -0.52 0.00 0.00 55.73 56.85 3iw6 s ARG 296 Cb 0.12 -2.87 -0.09 0.00 0.52 0.00 0.00 34.95 32.64 3iw6 s ARG 296 CO 0.39 -0.05 1.33 1.51 0.02 0.00 0.00 175.30 178.49 3iw6 n ILE 297 N 0.52 2.73 -2.39 1.52 3.06 -0.47 -5.01 119.36 119.32 3iw6 n ILE 297 Ca 0.02 -0.50 -0.27 0.00 -2.50 0.00 0.00 62.75 59.50 3iw6 n ILE 297 Cb 0.46 -1.66 0.03 0.00 0.54 0.00 0.00 39.64 39.01 3iw6 n ILE 297 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 3iw6 s THR 298 N -1.21 3.83 0.13 9.51 -4.23 -1.26 -4.89 115.64 117.51 3iw6 s THR 298 Ca 0.62 0.07 -0.25 0.00 -1.18 0.00 0.00 61.69 60.95 3iw6 s THR 298 Cb -0.48 -3.51 -0.04 0.00 1.34 0.00 0.00 72.50 69.80 3iw6 s THR 298 CO 0.57 -0.54 1.64 0.00 -0.54 0.00 0.00 174.62 175.75 3iw6 h ALA 299 N -0.15 -0.29 -0.77 3.99 0.00 -1.92 -1.41 119.26 118.71 3iw6 h ALA 299 Ca -0.46 0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.57 3iw6 h ALA 299 Cb 1.25 0.44 -0.08 0.00 0.00 0.00 0.00 17.79 19.40 3iw6 h ALA 299 CO 0.61 -0.73 0.40 0.00 0.00 0.00 0.00 179.25 179.53 3iw6 h ALA 300 N 0.52 1.09 -0.52 0.00 0.00 -1.93 -1.94 119.26 116.48 3iw6 h ALA 300 Ca 0.07 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3iw6 h ALA 300 Cb 0.46 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3iw6 h ALA 300 CO -0.24 -0.02 0.24 1.96 0.00 0.00 0.00 179.25 181.18 3iw6 h GLN 301 N 0.65 0.75 -0.10 0.00 4.20 -1.89 -3.02 115.11 115.69 3iw6 h GLN 301 Ca 0.39 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.91 3iw6 h GLN 301 Cb 0.44 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 3iw6 h GLN 301 CO -0.29 0.63 -0.26 0.00 -0.67 0.00 0.00 178.83 178.24 3iw6 h ALA 302 N 1.08 1.38 0.00 3.87 0.00 -0.74 -1.97 119.26 122.88 3iw6 h ALA 302 Ca 0.18 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3iw6 h ALA 302 Cb 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3iw6 h ALA 302 CO -0.02 0.43 -0.25 -0.07 0.00 0.00 0.00 179.25 179.34 3iw6 h LEU 303 N 0.16 0.00 -0.43 0.00 3.38 -1.24 -1.58 115.31 115.60 3iw6 h LEU 303 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3iw6 h LEU 303 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3iw6 h LEU 303 CO 0.04 0.25 -0.13 0.00 0.09 0.00 0.00 178.44 178.70 3iw6 n ALA 304 N -2.49 2.82 -1.77 1.53 0.00 -0.75 -4.76 120.51 115.08 3iw6 n ALA 304 Ca -0.02 -0.34 -0.39 0.00 0.00 0.00 0.00 53.44 52.69 3iw6 n ALA 304 Cb 0.31 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.49 3iw6 n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3iw6 s HIS 305 N -2.36 2.86 0.28 0.00 5.04 -0.60 -4.90 115.29 115.61 3iw6 s HIS 305 Ca 0.31 1.42 0.36 0.00 -1.54 0.00 0.00 55.06 55.61 3iw6 s HIS 305 Cb 0.20 -3.65 1.85 0.00 0.04 0.00 0.00 32.58 31.03 3iw6 s HIS 305 CO 0.46 -2.01 2.09 0.00 -2.34 0.00 0.00 174.74 172.94 3iw6 h ALA 306 N 2.73 1.00 -0.25 1.58 0.00 -1.91 -1.82 119.26 120.58 3iw6 h ALA 306 Ca -0.49 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.49 3iw6 h ALA 306 Cb 1.24 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3iw6 h ALA 306 CO 0.63 0.00 0.19 -0.92 0.00 0.00 0.00 179.25 179.14 3iw6 h TYR 307 N 0.00 0.00 -0.58 0.00 3.20 -1.90 -1.80 116.97 115.89 3iw6 h TYR 307 Ca 0.00 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 3iw6 h TYR 307 Cb 0.11 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 3iw6 h TYR 307 CO 0.00 0.00 0.05 1.19 -1.64 0.00 0.00 178.16 177.76 3iw6 n PHE 308 N -4.40 2.06 -0.35 -3.82 3.01 -0.68 -4.71 117.46 108.57 3iw6 n PHE 308 Ca 0.03 -0.84 0.13 0.00 1.01 0.00 0.00 57.45 57.78 3iw6 n PHE 308 Cb 0.34 -0.53 0.32 0.00 -0.01 0.00 0.00 39.48 39.59 3iw6 n PHE 308 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3iw6 h ALA 309 N 3.53 1.63 0.00 4.37 0.00 -1.49 0.96 119.26 128.26 3iw6 h ALA 309 Ca 0.05 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3iw6 h ALA 309 Cb 2.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.74 3iw6 h ALA 309 CO 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.69 3iw6 n GLN 310 N -4.80 0.10 -0.01 0.00 10.64 -1.26 -3.84 117.38 118.22 3iw6 n GLN 310 Ca 0.23 0.29 0.00 0.00 -1.83 0.00 0.00 57.00 55.69 3iw6 n GLN 310 Cb 0.58 -1.68 -0.02 0.00 -0.86 0.00 0.00 30.24 28.26 3iw6 n GLN 310 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3iw6 n TYR 311 N -1.87 0.00 -1.87 2.61 4.02 0.13 -5.04 117.16 115.15 3iw6 n TYR 311 Ca 0.04 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.50 3iw6 n TYR 311 Cb 0.24 -0.08 -0.03 0.00 -0.02 0.00 0.00 39.34 39.45 3iw6 n TYR 311 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3iw6 s HIS 312 N -2.12 2.88 -0.31 -0.72 2.46 -0.05 -4.97 115.29 112.45 3iw6 s HIS 312 Ca -0.01 0.47 -0.03 0.00 0.47 0.00 0.00 55.06 55.97 3iw6 s HIS 312 Cb 0.01 -4.00 0.11 0.00 -0.13 0.00 0.00 32.58 28.57 3iw6 s HIS 312 CO 0.10 -3.80 0.16 0.34 -2.47 0.00 0.00 174.74 169.07 3iw6 s ASP 313 N 1.43 3.31 0.31 9.88 -1.08 -1.26 -5.01 116.67 124.25 3iw6 s ASP 313 Ca 0.72 -1.61 0.22 0.00 -0.52 0.00 0.00 52.55 51.37 3iw6 s ASP 313 Cb -0.45 -0.36 1.15 0.00 -1.46 0.00 0.00 42.92 41.80 3iw6 s ASP 313 CO 0.32 -0.39 1.68 -0.81 0.52 0.00 0.00 175.17 176.49 3iw6 n PRO 314 N 4.81 0.15 0.00 4.34 -0.04 -1.26 -0.43 135.00 142.58 3iw6 n PRO 314 Ca 0.01 0.60 0.13 0.00 -0.04 0.00 0.00 63.50 64.19 3iw6 n PRO 314 Cb 0.40 -1.95 0.38 0.00 -0.04 0.00 0.00 33.50 32.29 3iw6 n PRO 314 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3iw6 n ASP 315 N -2.27 1.02 -2.50 3.54 10.43 -1.26 -4.22 116.55 121.29 3iw6 n ASP 315 Ca -0.01 -0.89 -0.17 0.00 2.57 0.00 0.00 54.79 56.29 3iw6 n ASP 315 Cb 0.08 0.13 0.02 0.00 1.84 0.00 0.00 41.12 43.19 3iw6 n ASP 315 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 3iw6 n ASP 316 N -0.65 3.35 -3.42 -2.24 4.64 0.43 -4.85 116.55 113.80 3iw6 n ASP 316 Ca 0.12 -3.19 -0.26 0.00 -1.38 0.00 0.00 54.79 50.08 3iw6 n ASP 316 Cb 0.35 -0.46 -0.09 0.00 -1.04 0.00 0.00 41.12 39.88 3iw6 n ASP 316 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 3iw6 n GLU 317 N -0.41 1.54 -0.97 -0.67 1.02 -1.21 -4.87 120.64 115.06 3iw6 n GLU 317 Ca 0.27 -4.00 -0.29 0.00 -0.02 0.00 0.00 57.16 53.12 3iw6 n GLU 317 Cb 0.78 -1.86 0.18 0.00 -0.02 0.00 0.00 31.44 30.52 3iw6 n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3iw6 s PRO 318 N -1.58 0.44 0.09 3.49 0.04 -1.26 -4.99 135.00 131.23 3iw6 s PRO 318 Ca 0.35 0.82 0.04 0.00 0.04 0.00 0.00 61.00 62.25 3iw6 s PRO 318 Cb 0.11 -1.71 -0.03 0.00 0.04 0.00 0.00 34.50 32.90 3iw6 s PRO 318 CO -0.09 -2.80 -0.12 0.54 0.04 0.00 0.00 177.00 174.57 3iw6 s VAL 319 N -2.79 1.00 0.32 -0.36 0.11 -1.26 -4.27 120.40 113.14 3iw6 s VAL 319 Ca 0.66 -1.48 0.00 0.00 -2.93 0.00 0.00 61.98 58.23 3iw6 s VAL 319 Cb -0.20 -1.20 -0.03 0.00 -1.53 0.00 0.00 36.38 33.41 3iw6 s VAL 319 CO 0.59 -0.41 0.51 0.00 -3.33 0.00 0.00 175.10 172.46 3iw6 s ALA 320 N -1.91 3.73 0.29 1.54 0.00 -1.26 -5.05 121.76 119.10 3iw6 s ALA 320 Ca 0.02 -0.91 -0.30 0.00 0.00 0.00 0.00 51.96 50.77 3iw6 s ALA 320 Cb -0.06 -2.07 -0.12 0.00 0.00 0.00 0.00 23.12 20.86 3iw6 s ALA 320 CO 0.01 0.07 1.42 -0.25 0.00 0.00 0.00 175.76 177.02 3iw6 n ASP 321 N -1.57 3.08 -4.57 0.00 10.43 -1.26 -4.57 116.55 118.10 3iw6 n ASP 321 Ca -0.05 1.17 -0.41 0.00 2.57 0.00 0.00 54.79 58.07 3iw6 n ASP 321 Cb 0.56 -1.50 0.02 0.00 1.84 0.00 0.00 41.12 42.04 3iw6 n ASP 321 CO 0.00 0.00 0.00 -2.65 -1.07 0.00 0.00 177.20 173.48 3iw6 n PRO 322 N 1.50 1.04 -3.95 -0.24 -0.02 -1.26 -4.52 135.00 127.55 3iw6 n PRO 322 Ca 0.08 0.38 -0.35 0.00 -2.02 0.00 0.00 63.50 61.59 3iw6 n PRO 322 Cb 0.35 -1.92 -0.14 0.00 -0.02 0.00 0.00 33.50 31.76 3iw6 n PRO 322 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3iw6 s TYR 323 N -1.39 2.93 -1.15 6.00 5.04 -1.02 -5.02 117.35 122.73 3iw6 s TYR 323 Ca 0.66 -1.10 -0.23 0.00 -2.44 0.00 0.00 57.07 53.96 3iw6 s TYR 323 Cb -0.53 -2.07 -0.11 0.00 0.35 0.00 0.00 41.96 39.60 3iw6 s TYR 323 CO 0.55 -0.60 1.97 0.34 -1.34 0.00 0.00 175.55 176.46 3iw6 s ASP 324 N 1.44 4.79 0.30 4.32 -1.08 -1.26 -4.78 116.67 120.39 3iw6 s ASP 324 Ca 0.05 -1.50 0.22 0.00 -0.52 0.00 0.00 52.55 50.80 3iw6 s ASP 324 Cb -0.14 -2.59 1.11 0.00 -1.46 0.00 0.00 42.92 39.84 3iw6 s ASP 324 CO -0.05 -3.32 1.66 0.00 0.52 0.00 0.00 175.17 173.98 3iw6 n GLN 325 N 8.30 0.15 0.16 4.34 6.02 -1.26 -3.39 117.38 131.70 3iw6 n GLN 325 Ca 0.44 0.58 0.01 0.00 -0.01 0.00 0.00 57.00 58.02 3iw6 n GLN 325 Cb 0.47 -1.93 0.26 0.00 1.02 0.00 0.00 30.24 30.05 3iw6 n GLN 325 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3iw6 h SER 326 N 0.00 0.00 -0.11 1.08 4.64 -1.96 -3.08 113.55 114.12 3iw6 h SER 326 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3iw6 h SER 326 Cb 0.09 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 3iw6 h SER 326 CO 0.00 0.50 -0.10 -0.07 -0.87 0.00 0.00 176.83 176.29 3iw6 h LEU 327 N 0.00 0.41 0.00 5.97 3.38 -1.99 -2.59 115.31 120.50 3iw6 h LEU 327 Ca -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3iw6 h LEU 327 Cb 0.89 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3iw6 h LEU 327 CO 0.07 0.55 -0.37 -1.84 0.09 0.00 0.00 178.44 176.94 3iw6 n GLU 328 N -4.23 0.12 -1.20 1.13 0.28 -1.18 -3.82 120.64 111.73 3iw6 n GLU 328 Ca 0.00 0.05 -0.25 0.00 -0.16 0.00 0.00 57.16 56.81 3iw6 n GLU 328 Cb 0.29 -1.60 0.15 0.00 1.43 0.00 0.00 31.44 31.72 3iw6 n GLU 328 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3iw6 n SER 329 N -1.78 4.51 -4.89 -1.84 3.41 -0.98 -4.92 113.62 107.13 3iw6 n SER 329 Ca 0.05 -3.58 -0.25 0.00 -0.26 0.00 0.00 58.87 54.83 3iw6 n SER 329 Cb 0.38 -0.86 0.07 0.00 -0.26 0.00 0.00 64.21 63.54 3iw6 n SER 329 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3iw6 s ARG 330 N -3.27 2.17 -0.44 4.33 0.52 -1.24 -5.04 118.95 115.98 3iw6 s ARG 330 Ca 0.56 -0.44 0.02 0.00 -0.52 0.00 0.00 55.73 55.36 3iw6 s ARG 330 Cb 0.47 -2.24 0.12 0.00 0.52 0.00 0.00 34.95 33.82 3iw6 s ARG 330 CO 0.08 -1.19 0.18 -0.51 0.02 0.00 0.00 175.30 173.89 3iw6 s ASP 331 N -4.53 4.73 0.26 0.23 -0.00 -1.26 -5.08 116.67 111.02 3iw6 s ASP 331 Ca 0.60 -2.51 0.10 0.00 -0.00 0.00 0.00 52.55 50.74 3iw6 s ASP 331 Cb -0.10 -1.68 -0.05 0.00 -0.00 0.00 0.00 42.92 41.08 3iw6 s ASP 331 CO 0.44 -0.35 -0.16 -0.76 -0.00 0.00 0.00 175.17 174.34 3iw6 s LEU 332 N 0.42 2.58 0.69 1.23 1.43 -1.26 -5.14 118.68 118.64 3iw6 s LEU 332 Ca 0.13 -1.06 -0.13 0.00 -1.03 0.00 0.00 54.13 52.04 3iw6 s LEU 332 Cb -0.22 -0.90 0.01 0.00 0.03 0.00 0.00 46.19 45.11 3iw6 s LEU 332 CO -0.04 -0.10 1.10 -0.76 0.23 0.00 0.00 176.35 176.78 3iw6 s LEU 333 N -3.45 3.28 0.22 1.79 1.43 -1.26 -4.85 118.68 115.83 3iw6 s LEU 333 Ca 0.28 1.90 -0.09 0.00 -1.03 0.00 0.00 54.13 55.19 3iw6 s LEU 333 Cb -0.02 -4.54 0.31 0.00 0.03 0.00 0.00 46.19 41.98 3iw6 s LEU 333 CO 0.12 -1.68 1.73 0.40 0.23 0.00 0.00 176.35 177.15 3iw6 h ILE 334 N -0.32 0.71 0.00 -0.59 2.04 -1.92 -1.50 117.51 115.94 3iw6 h ILE 334 Ca -0.46 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.22 3iw6 h ILE 334 Cb 1.24 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 3iw6 h ILE 334 CO 0.54 0.07 -0.26 0.44 0.00 0.00 0.00 178.15 178.93 3iw6 h ASP 335 N 0.37 0.00 0.24 1.72 3.45 -1.96 0.27 116.42 120.50 3iw6 h ASP 335 Ca 0.33 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.78 3iw6 h ASP 335 Cb 0.45 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.22 3iw6 h ASP 335 CO -0.35 0.26 -0.11 -0.33 -1.57 0.00 0.00 179.24 177.14 3iw6 h GLU 336 N 0.00 -0.31 -0.87 3.56 5.08 -1.66 -1.98 114.58 118.39 3iw6 h GLU 336 Ca -0.00 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.48 3iw6 h GLU 336 Cb 0.58 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.83 3iw6 h GLU 336 CO 0.03 0.06 0.51 -1.49 -1.00 0.00 0.00 179.01 177.12 3iw6 h TRP 337 N -0.79 0.93 -0.57 4.33 -0.00 -1.14 -0.60 115.95 118.11 3iw6 h TRP 337 Ca -0.03 0.03 -0.02 0.00 -0.00 0.00 0.00 58.89 58.87 3iw6 h TRP 337 Cb 0.51 -0.29 -0.03 0.00 -0.00 0.00 0.00 29.16 29.35 3iw6 h TRP 337 CO 0.05 0.37 0.29 -0.22 -0.00 0.00 0.00 178.44 178.94 3iw6 h LYS 338 N 0.84 0.82 -0.42 0.49 3.64 -0.50 -1.01 116.57 120.42 3iw6 h LYS 338 Ca 0.43 -0.11 -0.14 0.00 -1.27 0.00 0.00 60.65 59.56 3iw6 h LYS 338 Cb 0.40 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3iw6 h LYS 338 CO -0.26 0.65 -0.27 1.03 -2.27 0.00 0.00 179.45 178.33 3iw6 h SER 339 N 0.78 0.97 -0.82 4.20 0.87 -0.73 -0.09 113.55 118.73 3iw6 h SER 339 Ca 0.20 -0.42 -0.04 0.00 -1.23 0.00 0.00 61.79 60.30 3iw6 h SER 339 Cb 0.08 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 61.74 3iw6 h SER 339 CO -0.03 1.19 0.36 -0.07 -0.53 0.00 0.00 176.83 177.75 3iw6 h LEU 340 N 0.76 1.10 -0.34 2.23 3.38 -1.03 -1.08 115.31 120.34 3iw6 h LEU 340 Ca 0.09 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 3iw6 h LEU 340 Cb 0.85 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3iw6 h LEU 340 CO 0.07 0.95 -0.09 0.74 0.09 0.00 0.00 178.44 180.21 3iw6 h THR 341 N 1.18 1.28 -0.38 0.22 2.02 -0.96 -2.30 112.91 113.97 3iw6 h THR 341 Ca 0.28 -1.15 0.08 0.00 0.77 0.00 0.00 66.41 66.39 3iw6 h THR 341 Cb 0.17 1.33 -0.08 0.00 -1.74 0.00 0.00 68.15 67.83 3iw6 h THR 341 CO -0.03 0.37 -0.15 0.22 0.37 0.00 0.00 175.52 176.30 3iw6 h TYR 342 N 0.44 -0.36 -0.52 3.16 3.20 -0.75 -1.26 116.97 120.88 3iw6 h TYR 342 Ca 0.08 0.04 0.05 0.00 3.14 0.00 0.00 58.73 62.05 3iw6 h TYR 342 Cb 0.59 0.22 -0.03 0.00 1.54 0.00 0.00 36.73 39.05 3iw6 h TYR 342 CO 0.05 -0.23 0.34 -0.44 -1.64 0.00 0.00 178.16 176.25 3iw6 h ASP 343 N -0.08 0.42 -0.21 -2.11 3.32 -1.03 -1.87 116.42 114.86 3iw6 h ASP 343 Ca 0.19 -0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.13 3iw6 h ASP 343 Cb 0.36 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3iw6 h ASP 343 CO -0.43 0.28 -0.23 -0.33 -1.72 0.00 0.00 179.24 176.81 3iw6 h GLU 344 N 0.48 0.67 -0.27 3.56 4.39 -0.69 -1.02 114.58 121.70 3iw6 h GLU 344 Ca 0.22 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 3iw6 h GLU 344 Cb 0.26 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 3iw6 h GLU 344 CO -0.06 0.85 0.15 0.28 -1.16 0.00 0.00 179.01 179.06 3iw6 h VAL 345 N 0.59 1.13 -0.51 3.13 2.07 -0.60 -3.03 116.25 119.03 3iw6 h VAL 345 Ca 0.08 -0.35 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 3iw6 h VAL 345 Cb 0.71 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 3iw6 h VAL 345 CO 0.05 0.13 0.02 0.40 0.02 0.00 0.00 177.57 178.20 3iw6 h ILE 346 N 0.32 1.26 0.00 4.57 1.08 -1.24 -2.84 117.51 120.66 3iw6 h ILE 346 Ca 0.10 -1.04 0.00 0.00 -0.39 0.00 0.00 64.86 63.52 3iw6 h ILE 346 Cb 0.08 0.93 0.00 0.00 -3.07 0.00 0.00 36.82 34.76 3iw6 h ILE 346 CO -0.01 0.37 0.00 -1.54 -0.69 0.00 0.00 178.15 176.27 3iw6 n SER 347 N -4.34 0.00 -4.70 1.72 3.41 -0.40 -4.84 113.62 104.47 3iw6 n SER 347 Ca 0.01 -0.44 -0.42 0.00 -0.26 0.00 0.00 58.87 57.76 3iw6 n SER 347 Cb 0.30 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.13 3iw6 n SER 347 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3iw6 s PHE 348 N -2.18 3.37 -0.21 7.33 5.36 -1.07 -5.01 117.98 125.56 3iw6 s PHE 348 Ca 0.27 1.33 -0.03 0.00 -0.96 0.00 0.00 56.93 57.54 3iw6 s PHE 348 Cb 0.14 -3.37 -0.01 0.00 -0.34 0.00 0.00 43.02 39.44 3iw6 s PHE 348 CO 0.26 -1.06 -0.05 0.08 -1.46 0.00 0.00 175.22 172.98 3iw6 s VAL 349 N 1.59 3.35 0.66 3.12 1.01 -1.26 -5.04 120.40 123.83 3iw6 s VAL 349 Ca 0.56 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.86 3iw6 s VAL 349 Cb -0.26 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.62 3iw6 s VAL 349 CO 0.25 0.44 1.22 -2.16 0.00 0.00 0.00 175.10 174.85 3iw6 s PRO 350 N 1.31 2.54 0.62 2.72 0.04 -1.26 -5.00 135.00 135.97 3iw6 s PRO 350 Ca 0.04 1.81 -0.13 0.00 0.04 0.00 0.00 61.00 62.76 3iw6 s PRO 350 Cb -0.14 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 3iw6 s PRO 350 CO -0.02 -1.54 1.04 -1.25 0.04 0.00 0.00 177.00 175.26 3iw6 s PRO 351 N -3.63 3.33 -0.06 0.56 0.04 -1.26 -4.94 135.00 129.05 3iw6 s PRO 351 Ca 0.76 1.00 -0.38 0.00 0.04 0.00 0.00 61.00 62.43 3iw6 s PRO 351 Cb -0.30 -2.04 -0.16 0.00 0.04 0.00 0.00 34.50 32.04 3iw6 s PRO 351 CO 0.40 -0.79 1.55 -0.35 0.04 0.00 0.00 177.00 177.85 3iw6 n PRO 352 N -2.46 1.30 0.00 0.56 -0.04 -1.26 -5.12 135.00 127.97 3iw6 n PRO 352 Ca 0.07 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 64.01 3iw6 n PRO 352 Cb 0.53 -2.15 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 3iw6 n PRO 352 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35