#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9b n VAL 10 N 0.00 0.00 0.00 -0.18 0.31 -1.26 -5.02 118.33 112.19 3i9b n VAL 10 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i9b n VAL 10 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3i9b n VAL 10 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3i9b n LYS 11 N 0.00 0.00 -1.67 5.55 2.85 -1.26 -5.16 118.16 118.47 3i9b n LYS 11 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3i9b n LYS 11 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 3i9b n LYS 11 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3i9b n ARG 12 N 0.00 -2.39 0.00 -1.58 5.12 -1.26 -5.07 116.66 111.48 3i9b n ARG 12 Ca 0.00 1.73 0.00 0.00 -1.93 0.00 0.00 57.85 57.65 3i9b n ARG 12 Cb 0.00 -2.18 0.00 0.00 -1.16 0.00 0.00 32.46 29.12 3i9b n ARG 12 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i9b n GLN 13 N 0.41 3.49 0.00 5.56 0.00 -1.14 -5.05 117.38 120.65 3i9b n GLN 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 3i9b n GLN 13 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3i9b n GLN 13 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 3i9b n VAL 14 N 0.00 0.00 -1.47 -0.39 0.24 -1.26 -5.08 118.33 110.37 3i9b n VAL 14 Ca 0.00 0.00 -0.58 0.00 -2.04 0.00 0.00 64.34 61.72 3i9b n VAL 14 Cb 0.00 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.29 3i9b n VAL 14 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i9b n ALA 15 N 0.00 -2.70 0.00 2.33 0.00 -1.19 -3.85 120.51 115.10 3i9b n ALA 15 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.97 3i9b n ALA 15 Cb 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 17.76 3i9b n ALA 15 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3i9b n SER 16 N 2.18 0.00 -3.65 0.00 7.64 -1.23 -4.65 113.62 113.93 3i9b n SER 16 Ca 0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.10 3i9b n SER 16 Cb 0.03 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 3i9b n SER 16 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i9b n GLY 17 N 0.00 -2.01 3.38 0.23 0.00 -1.24 -4.64 105.19 100.89 3i9b n GLY 17 Ca 0.00 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.49 3i9b n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i9b s ARG 18 N 0.00 1.40 -0.30 1.61 0.52 -1.17 -2.34 118.95 118.67 3i9b s ARG 18 Ca 0.00 -1.31 0.03 0.00 -0.52 0.00 0.00 55.73 53.93 3i9b s ARG 18 Cb 0.00 -1.85 0.08 0.00 0.52 0.00 0.00 34.95 33.69 3i9b s ARG 18 CO 0.00 0.44 -0.03 0.00 0.02 0.00 0.00 175.30 175.73 3i9b s ALA 19 N -1.05 2.72 -0.15 2.13 0.00 -0.82 -1.02 121.76 123.59 3i9b s ALA 19 Ca 0.13 -2.07 -0.07 0.00 0.00 0.00 0.00 51.96 49.95 3i9b s ALA 19 Cb -0.10 -1.78 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 3i9b s ALA 19 CO 0.06 -1.40 0.12 0.71 0.00 0.00 0.00 175.76 175.24 3i9b s TYR 20 N 1.04 3.48 -0.16 0.00 1.51 -0.36 -0.80 117.35 122.07 3i9b s TYR 20 Ca -0.01 0.40 0.01 0.00 -1.01 0.00 0.00 57.07 56.46 3i9b s TYR 20 Cb -0.20 -2.00 0.02 0.00 -0.11 0.00 0.00 41.96 39.67 3i9b s TYR 20 CO -0.06 0.54 -0.17 0.42 -1.11 0.00 0.00 175.55 175.17 3i9b s ILE 21 N -0.50 1.77 -0.47 2.71 1.01 -0.22 -0.93 121.20 124.58 3i9b s ILE 21 Ca 0.12 -0.76 -0.11 0.00 0.00 0.00 0.00 60.65 59.89 3i9b s ILE 21 Cb -0.12 -1.62 0.10 0.00 0.01 0.00 0.00 42.46 40.83 3i9b s ILE 21 CO 0.02 0.49 0.35 -2.28 0.00 0.00 0.00 174.94 173.52 3i9b s HIS 22 N 1.33 3.34 -0.48 3.97 2.46 0.11 -1.54 115.29 124.49 3i9b s HIS 22 Ca 0.03 -1.53 -0.17 0.00 0.47 0.00 0.00 55.06 53.86 3i9b s HIS 22 Cb -0.13 -3.33 0.06 0.00 -0.13 0.00 0.00 32.58 29.05 3i9b s HIS 22 CO -0.10 -0.92 0.48 0.00 -2.47 0.00 0.00 174.74 171.72 3i9b s ALA 23 N 1.46 3.48 0.00 1.58 0.00 -0.05 -0.75 121.76 127.49 3i9b s ALA 23 Ca 0.04 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 50.10 3i9b s ALA 23 Cb -0.26 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3i9b s ALA 23 CO 0.02 -1.80 0.00 0.45 0.00 0.00 0.00 175.76 174.43 3i9b n SER 24 N 5.58 0.59 -0.08 0.00 2.88 -0.54 -2.50 113.62 119.55 3i9b n SER 24 Ca -0.10 -0.23 -0.11 0.00 -1.33 0.00 0.00 58.87 57.10 3i9b n SER 24 Cb 0.45 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.82 3i9b n SER 24 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 3i9b n TYR 25 N -0.16 0.00 -0.05 0.66 4.02 -1.26 -3.62 117.16 116.75 3i9b n TYR 25 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.01 3i9b n TYR 25 Cb 0.00 -0.66 0.28 0.00 -0.02 0.00 0.00 39.34 38.94 3i9b n TYR 25 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3i9b n ASN 26 N -2.92 3.67 -3.40 7.72 3.02 -1.26 -4.49 115.26 117.60 3i9b n ASN 26 Ca -0.29 -1.99 0.03 0.00 -0.03 0.00 0.00 54.58 52.30 3i9b n ASN 26 Cb 0.84 -0.39 0.01 0.00 -0.61 0.00 0.00 39.78 39.63 3i9b n ASN 26 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3i9b n ASN 27 N 1.54 -0.89 -3.61 6.41 5.15 -1.26 -3.24 115.26 119.36 3i9b n ASN 27 Ca 0.22 -1.09 -0.10 0.00 -0.60 0.00 0.00 54.58 53.01 3i9b n ASN 27 Cb 0.60 1.35 -0.06 0.00 -0.53 0.00 0.00 39.78 41.14 3i9b n ASN 27 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3i9b s THR 28 N -2.02 0.00 0.12 -0.44 2.01 -1.26 -1.46 115.64 112.59 3i9b s THR 28 Ca 0.26 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.23 3i9b s THR 28 Cb -0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 3i9b s THR 28 CO -0.02 0.00 0.09 0.27 -0.69 0.00 0.00 174.62 174.27 3i9b s ILE 29 N -0.28 0.12 -0.04 1.82 -4.36 0.07 -3.29 121.20 115.24 3i9b s ILE 29 Ca 0.01 -1.78 -0.02 0.00 -0.26 0.00 0.00 60.65 58.60 3i9b s ILE 29 Cb -0.03 -1.91 0.02 0.00 1.25 0.00 0.00 42.46 41.79 3i9b s ILE 29 CO -0.03 -0.52 0.10 0.68 0.24 0.00 0.00 174.94 175.40 3i9b s VAL 30 N -4.01 -0.03 -0.11 8.37 -7.23 -0.23 0.10 120.40 117.26 3i9b s VAL 30 Ca 0.20 0.10 0.01 0.00 -1.81 0.00 0.00 61.98 60.47 3i9b s VAL 30 Cb 0.07 -0.16 0.02 0.00 0.56 0.00 0.00 36.38 36.87 3i9b s VAL 30 CO -0.01 0.04 -0.11 0.28 -0.31 0.00 0.00 175.10 174.99 3i9b s THR 31 N 0.59 1.27 -0.19 5.32 -1.32 -0.10 -0.24 115.64 120.97 3i9b s THR 31 Ca -0.05 -0.47 -0.10 0.00 -1.21 0.00 0.00 61.69 59.86 3i9b s THR 31 Cb -0.06 -1.22 -0.05 0.00 -1.51 0.00 0.00 72.50 69.66 3i9b s THR 31 CO -0.02 0.40 0.14 -0.63 -2.21 0.00 0.00 174.62 172.30 3i9b s ILE 32 N 1.35 5.41 0.00 5.08 1.01 0.19 -1.22 121.20 133.01 3i9b s ILE 32 Ca -0.00 0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.86 3i9b s ILE 32 Cb -0.14 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.86 3i9b s ILE 32 CO -0.06 0.45 0.00 0.35 0.00 0.00 0.00 174.94 175.68 3i9b n THR 33 N 3.44 0.00 -3.42 2.92 -2.24 -0.19 -0.43 114.28 114.36 3i9b n THR 33 Ca -0.16 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.41 3i9b n THR 33 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 3i9b n THR 33 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3i9b s ASP 34 N 1.00 5.06 0.00 3.42 3.84 -1.03 -3.03 116.67 125.93 3i9b s ASP 34 Ca 0.00 -0.83 0.00 0.00 -0.00 0.00 0.00 52.55 51.72 3i9b s ASP 34 Cb 0.00 -0.16 0.00 0.00 -1.38 0.00 0.00 42.92 41.38 3i9b s ASP 34 CO 0.00 -0.93 0.45 -2.65 -0.00 0.00 0.00 175.17 172.04 3i9b n PRO 35 N -1.81 0.00 0.00 2.11 -0.02 -1.26 0.06 135.00 134.08 3i9b n PRO 35 Ca 0.06 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 3i9b n PRO 35 Cb 0.62 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 3i9b n PRO 35 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3i9b n ASP 36 N -0.95 0.87 0.00 2.55 10.43 -1.26 -5.01 116.55 123.18 3i9b n ASP 36 Ca 0.00 -1.34 0.00 0.00 2.57 0.00 0.00 54.79 56.02 3i9b n ASP 36 Cb 0.13 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.09 3i9b n ASP 36 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3i9b n GLY 37 N -0.17 0.75 3.50 0.44 0.00 0.11 -5.03 105.19 104.79 3i9b n GLY 37 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3i9b n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i9b s ASN 38 N -2.55 6.26 -0.09 1.61 0.02 -1.26 -4.69 114.94 114.24 3i9b s ASN 38 Ca 0.00 -0.58 -0.24 0.00 -1.02 0.00 0.00 52.86 51.02 3i9b s ASN 38 Cb 0.00 -2.45 -0.11 0.00 0.02 0.00 0.00 41.25 38.71 3i9b s ASN 38 CO 0.00 -1.39 0.69 -2.65 0.02 0.00 0.00 177.10 173.77 3i9b n PRO 39 N 7.83 0.00 -0.06 -0.60 -0.02 -1.26 -2.48 135.00 138.41 3i9b n PRO 39 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.42 3i9b n PRO 39 Cb 0.47 -0.84 -0.10 0.00 -0.02 0.00 0.00 33.50 33.01 3i9b n PRO 39 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3i9b n ILE 40 N 1.28 0.88 -3.61 4.25 2.08 0.42 -4.86 119.36 119.81 3i9b n ILE 40 Ca 0.13 -0.54 -0.01 0.00 0.56 0.00 0.00 62.75 62.89 3i9b n ILE 40 Cb 0.02 -0.66 -0.01 0.00 -0.75 0.00 0.00 39.64 38.23 3i9b n ILE 40 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 3i9b s THR 41 N -2.31 0.00 0.36 1.39 -1.32 -0.66 -5.01 115.64 108.09 3i9b s THR 41 Ca -0.07 -0.03 -0.10 0.00 -1.21 0.00 0.00 61.69 60.28 3i9b s THR 41 Cb 0.04 -1.38 0.03 0.00 -1.51 0.00 0.00 72.50 69.68 3i9b s THR 41 CO 0.52 0.00 0.64 -1.66 -2.21 0.00 0.00 174.62 171.91 3i9b s TRP 42 N -2.17 0.51 0.14 9.09 1.48 -1.26 0.53 118.94 127.26 3i9b s TRP 42 Ca 0.12 -0.98 -0.25 0.00 -1.06 0.00 0.00 56.10 53.93 3i9b s TRP 42 Cb 0.02 0.42 0.07 0.00 -1.16 0.00 0.00 33.47 32.81 3i9b s TRP 42 CO -0.04 -1.35 0.99 0.45 -4.06 0.00 0.00 176.95 172.94 3i9b s SER 43 N -3.13 -0.16 -0.06 -2.66 0.15 0.67 -4.81 113.70 103.70 3i9b s SER 43 Ca 0.22 -0.40 -0.31 0.00 0.70 0.00 0.00 55.95 56.15 3i9b s SER 43 Cb -0.03 0.47 0.13 0.00 -1.71 0.00 0.00 66.02 64.88 3i9b s SER 43 CO 0.15 -0.86 1.36 -0.94 1.20 0.00 0.00 173.24 174.15 3i9b s SER 44 N -2.97 -0.03 0.49 5.45 1.04 -1.26 -1.07 113.70 115.36 3i9b s SER 44 Ca 0.13 -0.07 0.38 0.00 0.48 0.00 0.00 55.95 56.87 3i9b s SER 44 Cb -0.01 0.08 1.56 0.00 0.10 0.00 0.00 66.02 67.75 3i9b s SER 44 CO 0.02 -0.15 1.62 1.23 0.98 0.00 0.00 173.24 176.94 3i9b h GLY 45 N 2.00 0.72 2.00 7.32 0.00 -1.81 0.40 103.07 113.70 3i9b h GLY 45 Ca -0.31 -0.06 -0.11 0.00 0.00 0.00 0.00 47.33 46.84 3i9b h GLY 45 CO 0.29 -0.22 -0.54 -1.33 0.00 0.00 0.00 176.54 174.74 3i9b h GLY 46 N 0.04 0.00 1.31 4.60 0.00 -1.91 -2.11 103.07 105.01 3i9b h GLY 46 Ca 0.84 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.87 3i9b h GLY 46 CO -0.24 0.00 -1.29 -2.08 0.00 0.00 0.00 176.54 172.93 3i9b h VAL 47 N 0.00 1.31 0.00 4.60 2.07 -0.51 -3.25 116.25 120.48 3i9b h VAL 47 Ca -0.01 -2.59 0.00 0.00 0.82 0.00 0.00 66.70 64.92 3i9b h VAL 47 Cb 1.11 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 33.68 3i9b h VAL 47 CO 0.07 0.78 0.00 -0.38 0.02 0.00 0.00 177.57 178.06 3i9b n ILE 48 N -3.74 0.63 0.00 4.57 2.08 -0.84 -4.82 119.36 117.24 3i9b n ILE 48 Ca -0.13 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.18 3i9b n ILE 48 Cb 1.01 -0.79 0.00 0.00 -0.75 0.00 0.00 39.64 39.11 3i9b n ILE 48 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3i9b n GLY 49 N 0.53 1.97 3.76 7.39 0.00 -1.23 -4.98 105.19 112.64 3i9b n GLY 49 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3i9b n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i9b s TYR 50 N -0.20 2.72 0.09 1.61 4.12 -0.80 -4.97 117.35 119.92 3i9b s TYR 50 Ca 0.00 1.48 0.03 0.00 0.02 0.00 0.00 57.07 58.60 3i9b s TYR 50 Cb 0.00 -3.53 -0.04 0.00 -1.52 0.00 0.00 41.96 36.88 3i9b s TYR 50 CO 0.00 -1.94 -0.09 0.21 0.02 0.00 0.00 175.55 173.75 3i9b s LYS 51 N -2.68 0.81 3.96 -0.62 2.20 -1.26 -3.83 119.74 118.31 3i9b s LYS 51 Ca 0.65 -1.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.11 3i9b s LYS 51 Cb -0.33 -0.44 0.00 0.00 -1.51 0.00 0.00 37.83 35.55 3i9b s LYS 51 CO 0.40 0.06 0.00 0.41 -0.36 0.00 0.00 175.35 175.86 3i9b n GLY 52 N 0.53 0.49 0.00 5.54 0.00 -1.26 -3.07 105.19 107.42 3i9b n GLY 52 Ca -0.16 -0.90 0.13 0.00 0.00 0.00 0.00 46.02 45.09 3i9b n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i9b n SER 53 N 2.39 0.00 0.24 1.61 3.41 -1.26 -2.85 113.62 117.17 3i9b n SER 53 Ca 0.00 0.13 0.16 0.00 -0.26 0.00 0.00 58.87 58.91 3i9b n SER 53 Cb 0.00 -0.37 0.73 0.00 -0.26 0.00 0.00 64.21 64.30 3i9b n SER 53 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3i9b h ARG 54 N 0.00 0.00 -0.00 4.33 2.43 -1.85 -3.09 114.38 116.20 3i9b h ARG 54 Ca 0.00 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.95 3i9b h ARG 54 Cb 0.34 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3i9b h ARG 54 CO 0.00 0.00 -0.92 0.87 -1.51 0.00 0.00 179.97 178.41 3i9b h LYS 55 N 0.00 0.38 0.00 0.20 1.57 -1.70 -3.18 116.57 113.85 3i9b h LYS 55 Ca 0.00 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 3i9b h LYS 55 Cb 0.33 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3i9b h LYS 55 CO 0.00 1.08 0.00 0.41 -0.57 0.00 0.00 179.45 180.37 3i9b n GLY 56 N 0.92 -0.78 3.73 3.86 0.00 -1.17 -4.30 105.19 107.46 3i9b n GLY 56 Ca -0.06 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 3i9b n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i9b s THR 57 N -2.00 3.17 0.31 2.61 2.01 -1.20 -4.04 115.64 116.50 3i9b s THR 57 Ca 0.15 0.94 0.05 0.00 0.31 0.00 0.00 61.69 63.14 3i9b s THR 57 Cb 0.07 -3.60 0.30 0.00 0.01 0.00 0.00 72.50 69.28 3i9b s THR 57 CO 0.11 0.13 1.82 1.55 -0.69 0.00 0.00 174.62 177.55 3i9b h PRO 58 N 5.58 0.80 -0.52 4.92 0.13 -1.92 -0.86 132.00 140.13 3i9b h PRO 58 Ca -0.44 -0.05 0.04 0.00 -0.87 0.00 0.00 66.00 64.68 3i9b h PRO 58 Cb 1.21 -0.18 -0.04 0.00 0.13 0.00 0.00 31.00 32.12 3i9b h PRO 58 CO 0.79 0.53 0.28 -0.92 -0.23 0.00 0.00 178.00 178.44 3i9b h TYR 59 N 0.82 0.51 -0.40 1.56 3.20 -1.95 -1.81 116.97 118.91 3i9b h TYR 59 Ca 0.51 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.31 3i9b h TYR 59 Cb 0.71 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 3i9b h TYR 59 CO -0.00 0.26 -0.10 0.00 -1.64 0.00 0.00 178.16 176.67 3i9b h ALA 60 N 1.27 0.55 0.00 1.82 0.00 -1.62 -1.61 119.26 119.68 3i9b h ALA 60 Ca 0.23 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3i9b h ALA 60 Cb 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3i9b h ALA 60 CO -0.15 0.43 0.16 0.00 0.00 0.00 0.00 179.25 179.69 3i9b n ALA 61 N -2.45 0.79 -0.12 0.00 0.00 -0.42 -0.15 120.51 118.16 3i9b n ALA 61 Ca -0.01 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3i9b n ALA 61 Cb 0.36 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.84 3i9b n ALA 61 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3i9b n GLN 62 N -2.02 0.00 -0.32 0.00 7.27 -0.67 -3.34 117.38 118.30 3i9b n GLN 62 Ca -0.01 0.21 0.26 0.00 0.07 0.00 0.00 57.00 57.52 3i9b n GLN 62 Cb 0.19 -0.67 0.48 0.00 2.41 0.00 0.00 30.24 32.64 3i9b n GLN 62 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3i9b n LEU 63 N -2.12 0.20 0.34 1.69 4.77 -0.81 0.30 117.00 121.38 3i9b n LEU 63 Ca 0.00 1.62 -0.17 0.00 -0.03 0.00 0.00 56.01 57.42 3i9b n LEU 63 Cb 0.00 -0.73 -0.09 0.00 -2.33 0.00 0.00 43.42 40.28 3i9b n LEU 63 CO 0.00 -1.76 0.65 0.00 -1.33 0.00 0.00 177.39 174.95 3i9b h ALA 64 N 1.94 -0.88 -0.33 -1.18 0.00 -0.73 0.16 119.26 118.24 3i9b h ALA 64 Ca 0.75 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.57 3i9b h ALA 64 Cb 1.88 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 20.03 3i9b h ALA 64 CO -0.80 -1.00 0.35 0.00 0.00 0.00 0.00 179.25 177.81 3i9b h ALA 65 N -0.51 2.02 0.00 0.00 0.00 -0.15 0.24 119.26 120.86 3i9b h ALA 65 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3i9b h ALA 65 Cb 0.69 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3i9b h ALA 65 CO 0.11 -0.52 -0.03 -0.07 0.00 0.00 0.00 179.25 178.74 3i9b h LEU 66 N 0.00 0.00 -1.86 0.00 3.38 -0.75 -2.48 115.31 113.60 3i9b h LEU 66 Ca 0.16 0.00 0.55 0.00 0.09 0.00 0.00 57.88 58.67 3i9b h LEU 66 Cb 0.86 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.52 3i9b h LEU 66 CO -0.00 0.13 1.29 -0.78 0.09 0.00 0.00 178.44 179.17 3i9b h ASP 67 N -0.23 0.05 0.00 -0.43 1.82 -0.49 1.44 116.42 118.58 3i9b h ASP 67 Ca 0.00 0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 3i9b h ASP 67 Cb 0.03 0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.07 3i9b h ASP 67 CO 0.00 -0.06 0.00 0.00 -1.61 0.00 0.00 179.24 177.57 3i9b n ALA 68 N -2.83 -0.20 -0.29 -0.78 0.00 0.84 -2.57 120.51 114.68 3i9b n ALA 68 Ca 0.43 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.98 3i9b n ALA 68 Cb 1.90 0.00 0.27 0.00 0.00 0.00 0.00 19.45 21.62 3i9b n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i9b h ALA 69 N -2.00 1.21 -1.15 0.00 0.00 0.66 0.50 119.26 118.49 3i9b h ALA 69 Ca 0.00 0.21 0.33 0.00 0.00 0.00 0.00 54.91 55.45 3i9b h ALA 69 Cb 0.00 0.28 -0.10 0.00 0.00 0.00 0.00 17.79 17.97 3i9b h ALA 69 CO 0.00 -0.42 0.75 0.87 0.00 0.00 0.00 179.25 180.45 3i9b h LYS 70 N 0.24 0.25 0.00 0.00 1.57 0.16 0.81 116.57 119.60 3i9b h LYS 70 Ca 0.52 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 59.12 3i9b h LYS 70 Cb 1.01 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 3i9b h LYS 70 CO -0.61 0.16 -0.91 0.87 -0.57 0.00 0.00 179.45 178.40 3i9b h LYS 71 N 0.25 0.00 0.00 3.15 1.57 0.28 -3.26 116.57 118.57 3i9b h LYS 71 Ca 0.67 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 59.28 3i9b h LYS 71 Cb 1.93 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 34.22 3i9b h LYS 71 CO -0.30 0.64 -1.12 0.00 -0.57 0.00 0.00 179.45 178.10 3i9b h ALA 72 N 1.28 0.63 0.14 3.86 0.00 0.68 -3.20 119.26 122.66 3i9b h ALA 72 Ca -0.05 -0.81 -0.01 0.00 0.00 0.00 0.00 54.91 54.04 3i9b h ALA 72 Cb 1.60 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.53 3i9b h ALA 72 CO 0.09 0.96 -0.07 0.52 0.00 0.00 0.00 179.25 180.74 3i9b h MET 73 N 0.00 -0.19 -0.49 0.00 2.86 0.01 0.35 114.93 117.47 3i9b h MET 73 Ca -0.11 0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.64 3i9b h MET 73 Cb 1.60 0.04 -0.10 0.00 0.06 0.00 0.00 31.60 33.21 3i9b h MET 73 CO 0.07 -0.08 -0.19 0.00 1.06 0.00 0.00 176.91 177.77 3i9b h ALA 74 N 0.60 0.20 0.00 6.32 0.00 -1.65 0.61 119.26 125.35 3i9b h ALA 74 Ca -0.02 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3i9b h ALA 74 Cb 0.19 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3i9b h ALA 74 CO 0.03 -0.52 0.00 0.66 0.00 0.00 0.00 179.25 179.43 3i9b n TYR 75 N -5.39 0.00 -3.43 0.00 4.02 -1.07 -4.76 117.16 106.53 3i9b n TYR 75 Ca 0.04 -0.20 -0.20 0.00 -0.01 0.00 0.00 57.90 57.53 3i9b n TYR 75 Cb 0.30 -0.15 0.07 0.00 -0.02 0.00 0.00 39.34 39.54 3i9b n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i9b n GLY 76 N 0.51 -0.33 3.85 2.72 0.00 0.21 -2.90 105.19 109.25 3i9b n GLY 76 Ca 0.00 0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 3i9b n GLY 76 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3i9b s MET 77 N -6.07 3.92 0.19 1.61 0.00 0.12 -3.18 119.30 115.88 3i9b s MET 77 Ca 0.47 0.40 0.00 0.00 0.00 0.00 0.00 55.69 56.56 3i9b s MET 77 Cb -0.21 -2.96 0.00 0.00 0.00 0.00 0.00 34.83 31.67 3i9b s MET 77 CO 0.63 0.51 0.00 1.04 0.00 0.00 0.00 175.02 177.19 3i9b n GLN 78 N 0.85 0.00 -3.46 4.11 6.02 -1.26 -4.47 117.38 119.18 3i9b n GLN 78 Ca -0.06 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.50 3i9b n GLN 78 Cb 0.52 -0.02 -0.04 0.00 1.02 0.00 0.00 30.24 31.71 3i9b n GLN 78 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3i9b s SER 79 N -4.73 6.37 0.18 1.08 1.04 -1.26 0.91 113.70 117.29 3i9b s SER 79 Ca 0.00 -2.94 -0.08 0.00 0.48 0.00 0.00 55.95 53.41 3i9b s SER 79 Cb 0.00 -2.09 -0.06 0.00 0.10 0.00 0.00 66.02 63.96 3i9b s SER 79 CO 0.00 -0.45 0.47 0.68 0.98 0.00 0.00 173.24 174.92 3i9b s VAL 80 N -0.21 5.03 -0.22 5.02 -7.23 -0.98 -3.48 120.40 118.33 3i9b s VAL 80 Ca 0.20 0.32 -0.05 0.00 -1.81 0.00 0.00 61.98 60.65 3i9b s VAL 80 Cb -0.12 -3.63 -0.02 0.00 0.56 0.00 0.00 36.38 33.17 3i9b s VAL 80 CO -0.08 0.02 -0.01 -1.81 -0.31 0.00 0.00 175.10 172.91 3i9b s ASP 81 N -2.30 4.55 0.26 4.85 1.11 -0.99 -1.33 116.67 122.83 3i9b s ASP 81 Ca 0.43 -0.32 -0.20 0.00 0.18 0.00 0.00 52.55 52.64 3i9b s ASP 81 Cb -0.12 -1.79 -0.09 0.00 1.07 0.00 0.00 42.92 41.99 3i9b s ASP 81 CO 0.22 -0.01 0.77 -0.69 1.18 0.00 0.00 175.17 176.64 3i9b s VAL 82 N 1.43 4.52 -0.06 -1.27 1.01 -0.68 -1.94 120.40 123.42 3i9b s VAL 82 Ca 0.05 1.33 -0.00 0.00 0.00 0.00 0.00 61.98 63.35 3i9b s VAL 82 Cb -0.14 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.43 3i9b s VAL 82 CO -0.01 0.11 -0.01 -0.63 0.00 0.00 0.00 175.10 174.56 3i9b s ILE 83 N -1.64 0.42 -0.11 2.22 1.01 0.02 -2.44 121.20 120.69 3i9b s ILE 83 Ca 0.47 0.03 0.01 0.00 0.00 0.00 0.00 60.65 61.16 3i9b s ILE 83 Cb -0.16 -0.52 -0.02 0.00 0.01 0.00 0.00 42.46 41.77 3i9b s ILE 83 CO 0.20 0.24 -0.15 0.68 0.00 0.00 0.00 174.94 175.91 3i9b s VAL 84 N 1.53 2.88 -0.04 2.92 -7.23 -1.01 -1.06 120.40 118.40 3i9b s VAL 84 Ca -0.02 -0.74 0.02 0.00 -1.81 0.00 0.00 61.98 59.43 3i9b s VAL 84 Cb -0.13 -2.17 0.01 0.00 0.56 0.00 0.00 36.38 34.65 3i9b s VAL 84 CO -0.03 0.54 -0.06 -0.13 -0.31 0.00 0.00 175.10 175.11 3i9b s ARG 85 N 0.10 0.88 0.00 4.82 0.52 -0.59 -1.45 118.95 123.23 3i9b s ARG 85 Ca -0.07 -0.18 0.00 0.00 -0.52 0.00 0.00 55.73 54.96 3i9b s ARG 85 Cb -0.15 -0.84 0.00 0.00 0.52 0.00 0.00 34.95 34.48 3i9b s ARG 85 CO 0.05 -0.01 0.00 0.41 0.02 0.00 0.00 175.30 175.77 3i9b n GLY 86 N 3.75 1.36 1.12 -3.53 0.00 -1.26 -0.87 105.19 105.76 3i9b n GLY 86 Ca -0.23 -2.16 0.04 0.00 0.00 0.00 0.00 46.02 43.67 3i9b n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i9b n THR 87 N -0.10 0.38 -0.66 2.61 -1.04 -1.13 -4.82 114.28 109.52 3i9b n THR 87 Ca 0.00 -1.17 -0.31 0.00 -2.04 0.00 0.00 64.05 60.53 3i9b n THR 87 Cb 0.00 0.68 0.18 0.00 -1.82 0.00 0.00 70.33 69.37 3i9b n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i9b n GLY 88 N 0.10 -1.43 0.00 3.41 0.00 -1.04 -4.92 105.19 101.31 3i9b n GLY 88 Ca 0.07 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.26 3i9b n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9b n ALA 89 N -4.25 0.00 0.00 4.61 0.00 -1.24 -2.60 120.51 117.03 3i9b n ALA 89 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3i9b n ALA 89 Cb 0.54 0.05 0.00 0.00 0.00 0.00 0.00 19.45 20.04 3i9b n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9b n GLY 90 N -0.33 0.32 0.27 0.00 0.00 -1.26 -3.93 105.19 100.26 3i9b n GLY 90 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 3i9b n GLY 90 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3i9b h ARG 91 N 3.26 -0.59 0.68 1.61 2.43 -1.85 -3.08 114.38 116.84 3i9b h ARG 91 Ca 0.00 0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3i9b h ARG 91 Cb 0.00 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3i9b h ARG 91 CO 0.00 -0.29 -0.50 1.49 -1.51 0.00 0.00 179.97 179.17 3i9b h GLU 92 N -0.92 -1.09 -1.42 0.20 4.57 -1.84 -2.32 114.58 111.77 3i9b h GLU 92 Ca -0.06 0.07 0.46 0.00 -1.18 0.00 0.00 59.36 58.65 3i9b h GLU 92 Cb 0.58 0.25 -0.11 0.00 -0.16 0.00 0.00 28.75 29.31 3i9b h GLU 92 CO 0.10 -0.72 0.95 0.94 -1.18 0.00 0.00 179.01 179.10 3i9b n GLN 93 N -5.60 -0.02 0.26 1.92 -0.06 -1.25 0.21 117.38 112.84 3i9b n GLN 93 Ca -0.14 1.09 -0.15 0.00 -2.00 0.00 0.00 57.00 55.80 3i9b n GLN 93 Cb 0.49 -2.26 -0.08 0.00 -4.06 0.00 0.00 30.24 24.33 3i9b n GLN 93 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3i9b h ALA 94 N 1.29 -0.63 0.15 1.69 0.00 -1.32 0.23 119.26 120.67 3i9b h ALA 94 Ca 0.82 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.56 3i9b h ALA 94 Cb 2.84 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 20.85 3i9b h ALA 94 CO -0.30 -0.79 -0.26 0.82 0.00 0.00 0.00 179.25 178.72 3i9b h ILE 95 N -0.76 0.00 -1.06 0.00 1.08 -0.27 -0.24 117.51 116.25 3i9b h ILE 95 Ca -0.06 0.00 0.29 0.00 -0.39 0.00 0.00 64.86 64.70 3i9b h ILE 95 Cb 0.55 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.18 3i9b h ILE 95 CO 0.11 0.00 0.66 0.03 -0.69 0.00 0.00 178.15 178.25 3i9b h ARG 96 N -0.44 0.39 0.00 2.37 3.08 -1.48 0.64 114.38 118.93 3i9b h ARG 96 Ca -0.02 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 59.91 3i9b h ARG 96 Cb 0.41 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3i9b h ARG 96 CO -0.09 0.26 -0.49 0.00 -1.07 0.00 0.00 179.97 178.58 3i9b h ALA 97 N 1.68 1.16 -0.01 0.04 0.00 0.19 -1.15 119.26 121.18 3i9b h ALA 97 Ca 0.66 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3i9b h ALA 97 Cb 1.59 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3i9b h ALA 97 CO -0.41 0.61 0.00 1.28 0.00 0.00 0.00 179.25 180.73 3i9b n LEU 98 N -3.91 0.15 -0.04 0.00 4.77 0.22 -2.31 117.00 115.88 3i9b n LEU 98 Ca -0.01 -0.06 -0.02 0.00 -0.03 0.00 0.00 56.01 55.88 3i9b n LEU 98 Cb 0.51 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.58 3i9b n LEU 98 CO 0.40 0.03 -0.18 1.56 -1.33 0.00 0.00 177.39 177.88 3i9b h GLN 99 N 0.21 0.00 -0.01 3.23 1.08 -0.68 -3.37 115.11 115.57 3i9b h GLN 99 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3i9b h GLN 99 Cb 0.05 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.47 3i9b h GLN 99 CO 0.00 0.00 0.05 0.00 -0.95 0.00 0.00 178.83 177.93 3i9b h ALA 100 N -1.48 1.17 -0.40 3.87 0.00 -1.58 -3.23 119.26 117.61 3i9b h ALA 100 Ca 0.00 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3i9b h ALA 100 Cb 0.26 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 3i9b h ALA 100 CO 0.00 -0.06 -0.24 -1.13 0.00 0.00 0.00 179.25 177.83 3i9b n SER 101 N -3.23 -0.42 0.00 0.00 3.41 -0.98 -4.85 113.62 107.56 3i9b n SER 101 Ca -0.03 1.23 0.00 0.00 -0.26 0.00 0.00 58.87 59.82 3i9b n SER 101 Cb 0.12 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 3i9b n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i9b n GLY 102 N -1.10 -0.70 3.96 5.00 0.00 -1.22 -5.02 105.19 106.11 3i9b n GLY 102 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3i9b n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i9b s LEU 103 N 0.00 4.20 -0.73 0.99 2.01 -1.26 -4.98 118.68 118.92 3i9b s LEU 103 Ca 0.00 0.23 -0.17 0.00 0.01 0.00 0.00 54.13 54.19 3i9b s LEU 103 Cb 0.00 -3.04 0.14 0.00 0.01 0.00 0.00 46.19 43.30 3i9b s LEU 103 CO 0.00 -0.15 0.80 -1.58 1.01 0.00 0.00 176.35 176.43 3i9b s GLN 104 N -4.07 3.32 -1.11 1.70 0.74 0.26 -4.87 119.66 115.63 3i9b s GLN 104 Ca 0.36 -1.76 -0.23 0.00 0.05 0.00 0.00 55.36 53.78 3i9b s GLN 104 Cb -0.09 -4.46 -0.09 0.00 1.10 0.00 0.00 33.01 29.47 3i9b s GLN 104 CO 0.32 -1.51 1.96 0.14 -0.55 0.00 0.00 175.29 175.64 3i9b s VAL 105 N 1.93 3.49 0.03 1.34 -7.23 -1.25 -2.31 120.40 116.38 3i9b s VAL 105 Ca 0.17 -0.73 -0.05 0.00 -1.81 0.00 0.00 61.98 59.56 3i9b s VAL 105 Cb -0.16 -4.38 -0.01 0.00 0.56 0.00 0.00 36.38 32.38 3i9b s VAL 105 CO -0.02 -0.91 1.03 0.29 -0.31 0.00 0.00 175.10 175.18 3i9b n LYS 106 N 8.42 -0.07 -3.71 4.82 5.02 -0.44 -4.80 118.16 127.39 3i9b n LYS 106 Ca 0.44 1.03 -0.10 0.00 -2.02 0.00 0.00 58.31 57.65 3i9b n LYS 106 Cb 0.47 -1.53 -0.05 0.00 -0.02 0.00 0.00 35.03 33.89 3i9b n LYS 106 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3i9b s SER 107 N -3.43 -0.12 -0.04 4.39 1.04 -1.26 -5.06 113.70 109.22 3i9b s SER 107 Ca -0.02 -0.44 0.05 0.00 0.48 0.00 0.00 55.95 56.03 3i9b s SER 107 Cb 0.02 0.43 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 3i9b s SER 107 CO 0.10 -0.82 -0.20 -0.63 0.98 0.00 0.00 173.24 172.68 3i9b s ILE 108 N -3.83 2.59 -0.03 -1.02 1.01 -1.26 -1.68 121.20 116.97 3i9b s ILE 108 Ca 0.04 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 59.78 3i9b s ILE 108 Cb 0.03 -1.97 0.03 0.00 0.01 0.00 0.00 42.46 40.56 3i9b s ILE 108 CO -0.11 0.58 0.04 -0.69 0.00 0.00 0.00 174.94 174.76 3i9b s VAL 109 N -0.59 -0.07 -0.00 2.92 1.01 -1.02 -5.02 120.40 117.63 3i9b s VAL 109 Ca 0.09 0.33 -0.19 0.00 0.00 0.00 0.00 61.98 62.21 3i9b s VAL 109 Cb -0.11 -0.14 -0.06 0.00 0.00 0.00 0.00 36.38 36.08 3i9b s VAL 109 CO 0.00 0.15 0.55 -0.62 0.00 0.00 0.00 175.10 175.18 3i9b s ASP 110 N 1.71 6.93 -0.42 3.32 2.15 -1.26 -2.41 116.67 126.70 3i9b s ASP 110 Ca -0.01 1.11 0.04 0.00 0.43 0.00 0.00 52.55 54.13 3i9b s ASP 110 Cb -0.12 -2.34 0.17 0.00 -0.30 0.00 0.00 42.92 40.33 3i9b s ASP 110 CO -0.03 0.16 0.40 -0.62 -0.17 0.00 0.00 175.17 174.91 3i9b s ASP 111 N -0.42 1.02 -0.20 -0.34 3.68 -0.53 -4.94 116.67 114.94 3i9b s ASP 111 Ca 0.29 -2.66 -0.09 0.00 2.13 0.00 0.00 52.55 52.21 3i9b s ASP 111 Cb -0.18 0.04 -0.05 0.00 -1.45 0.00 0.00 42.92 41.29 3i9b s ASP 111 CO 0.16 -0.17 0.12 -0.89 0.13 0.00 0.00 175.17 174.52 3i9b s THR 112 N 0.38 5.22 -0.75 1.71 2.01 -1.26 -4.49 115.64 118.46 3i9b s THR 112 Ca 0.30 0.12 -0.25 0.00 0.31 0.00 0.00 61.69 62.17 3i9b s THR 112 Cb -0.00 -3.39 -0.16 0.00 0.01 0.00 0.00 72.50 68.96 3i9b s THR 112 CO -0.14 0.43 2.45 -0.81 -0.69 0.00 0.00 174.62 175.86 3i9b n PRO 113 N 3.69 0.54 -3.59 4.92 -0.04 -1.26 -4.86 135.00 134.40 3i9b n PRO 113 Ca -0.16 -0.19 -0.40 0.00 -0.04 0.00 0.00 63.50 62.71 3i9b n PRO 113 Cb 0.52 -2.71 -0.10 0.00 -0.04 0.00 0.00 33.50 31.18 3i9b n PRO 113 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3i9b s VAL 114 N 10.44 4.21 0.31 0.52 0.11 -1.26 -5.07 120.40 129.65 3i9b s VAL 114 Ca 1.11 -1.51 -0.29 0.00 -2.93 0.00 0.00 61.98 58.35 3i9b s VAL 114 Cb -0.52 -3.63 -0.10 0.00 -1.53 0.00 0.00 36.38 30.60 3i9b s VAL 114 CO 0.32 -0.58 1.21 -2.16 -3.33 0.00 0.00 175.10 170.56 3i9b s PRO 115 N 1.40 4.49 -0.85 1.54 0.04 -1.26 -4.90 135.00 135.46 3i9b s PRO 115 Ca 0.04 2.02 -0.06 0.00 0.04 0.00 0.00 61.00 63.04 3i9b s PRO 115 Cb -0.24 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.14 3i9b s PRO 115 CO 0.01 0.00 2.91 0.72 0.04 0.00 0.00 177.00 180.68 3i9b n HIS 116 N 1.00 1.69 -2.76 0.56 8.25 -1.26 -4.72 115.22 117.99 3i9b n HIS 116 Ca -0.00 -2.34 -0.00 0.00 -0.26 0.00 0.00 57.72 55.11 3i9b n HIS 116 Cb 0.43 -1.81 -0.00 0.00 1.12 0.00 0.00 29.99 29.74 3i9b n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3i9b n ASN 117 N 2.08 -7.79 0.00 0.41 5.03 -1.26 -5.07 115.26 108.66 3i9b n ASN 117 Ca 0.58 1.36 0.00 0.00 0.87 0.00 0.00 54.58 57.39 3i9b n ASN 117 Cb 0.48 -5.06 0.00 0.00 -1.02 0.00 0.00 39.78 34.18 3i9b n ASN 117 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i9b n GLY 118 N 0.78 0.57 3.84 7.41 0.00 -1.26 -5.10 105.19 111.42 3i9b n GLY 118 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3i9b n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9b s ARG 120 N -5.14 4.61 0.37 0.00 3.52 -1.26 -5.02 118.95 116.03 3i9b s ARG 120 Ca 0.58 1.26 -0.25 0.00 -0.13 0.00 0.00 55.73 57.18 3i9b s ARG 120 Cb -0.13 -3.35 -0.09 0.00 -1.56 0.00 0.00 34.95 29.82 3i9b s ARG 120 CO 0.54 0.32 1.06 -2.14 -0.81 0.00 0.00 175.30 174.27 3i9b s PRO 121 N -0.30 4.29 0.11 5.12 0.02 -1.26 -4.97 135.00 138.00 3i9b s PRO 121 Ca 0.41 1.58 -0.33 0.00 0.02 0.00 0.00 61.00 62.69 3i9b s PRO 121 Cb -0.22 -2.71 -0.12 0.00 0.02 0.00 0.00 34.50 31.47 3i9b s PRO 121 CO 0.27 -0.04 1.75 1.63 -0.33 0.00 0.00 177.00 180.27 3i9b n LYS 122 N 0.26 2.47 -0.04 5.54 5.02 -1.26 -4.59 118.16 125.55 3i9b n LYS 122 Ca 0.03 0.89 0.04 0.00 -2.02 0.00 0.00 58.31 57.26 3i9b n LYS 122 Cb 0.48 -2.73 0.08 0.00 -0.02 0.00 0.00 35.03 32.84 3i9b n LYS 122 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3i9b n LYS 123 N 4.92 -0.01 0.00 1.97 4.81 -1.26 -0.57 118.16 128.02 3i9b n LYS 123 Ca 0.18 0.19 0.00 0.00 -0.87 0.00 0.00 58.31 57.82 3i9b n LYS 123 Cb 0.33 -0.34 0.00 0.00 0.02 0.00 0.00 35.03 35.03 3i9b n LYS 123 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3i9b n LYS 124 N -3.38 0.00 0.00 1.64 4.81 -1.26 -1.66 118.16 118.31 3i9b n LYS 124 Ca 0.05 0.43 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 3i9b n LYS 124 Cb 0.17 -1.35 0.00 0.00 0.02 0.00 0.00 35.03 33.87 3i9b n LYS 124 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 3i9b n PHE 125 N -1.70 0.00 -0.10 5.64 3.01 0.26 -3.07 117.46 121.50 3i9b n PHE 125 Ca 0.00 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.29 3i9b n PHE 125 Cb 0.00 -0.39 -0.08 0.00 -0.01 0.00 0.00 39.48 39.00 3i9b n PHE 125 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 3i9b n ARG 126 N -1.38 0.54 -1.77 -1.08 0.63 -1.05 -4.95 116.66 107.59 3i9b n ARG 126 Ca 0.00 0.48 0.00 0.00 -0.92 0.00 0.00 57.85 57.41 3i9b n ARG 126 Cb 0.02 -1.66 0.00 0.00 0.45 0.00 0.00 32.46 31.27 3i9b n ARG 126 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3i9b n LYS 127 N -4.45 0.00 0.00 -0.14 4.76 -0.66 -4.87 118.16 112.79 3i9b n LYS 127 Ca -0.28 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.16 3i9b n LYS 127 Cb 0.59 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.78 3i9b n LYS 127 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i9b n ALA 128 N -0.28 0.00 0.00 7.82 0.00 -1.26 -5.16 120.51 121.63 3i9b n ALA 128 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i9b n ALA 128 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i9b n ALA 128 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95