#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9b s THR 6 N 0.00 2.00 0.11 0.52 -4.23 -1.26 -4.88 115.64 107.89 3i9b s THR 6 Ca 0.00 0.00 -0.32 0.00 -1.18 0.00 0.00 61.69 60.19 3i9b s THR 6 Cb 0.00 -2.58 -0.12 0.00 1.34 0.00 0.00 72.50 71.14 3i9b s THR 6 CO 0.00 0.00 1.58 0.40 -0.54 0.00 0.00 174.62 176.06 3i9b h ILE 7 N -1.79 0.13 -0.79 2.99 1.08 -2.06 -2.23 117.51 114.84 3i9b h ILE 7 Ca -0.53 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.12 3i9b h ILE 7 Cb 1.33 0.13 -0.12 0.00 -3.07 0.00 0.00 36.82 35.09 3i9b h ILE 7 CO 0.59 0.00 0.20 -1.13 -0.69 0.00 0.00 178.15 177.12 3i9b h ASN 8 N -0.72 0.01 -0.40 1.72 -0.73 -1.99 1.02 115.58 114.48 3i9b h ASN 8 Ca 0.00 0.16 0.12 0.00 1.87 0.00 0.00 56.30 58.45 3i9b h ASN 8 Cb 0.72 0.22 -0.02 0.00 0.27 0.00 0.00 38.32 39.51 3i9b h ASN 8 CO -0.21 -0.07 0.41 1.56 -0.37 0.00 0.00 177.43 178.75 3i9b h GLN 9 N 0.26 0.00 0.10 6.67 4.20 -1.75 0.17 115.11 124.76 3i9b h GLN 9 Ca 0.46 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.86 3i9b h GLN 9 Cb 0.82 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.59 3i9b h GLN 9 CO -0.56 0.00 -1.63 -0.07 -0.67 0.00 0.00 178.83 175.90 3i9b h LEU 10 N 0.00 0.32 -1.70 1.46 3.38 0.12 -2.63 115.31 116.27 3i9b h LEU 10 Ca 0.19 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 3i9b h LEU 10 Cb 1.01 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 3i9b h LEU 10 CO -0.00 1.44 -0.07 0.58 0.09 0.00 0.00 178.44 180.47 3i9b h VAL 11 N 0.06 1.10 0.00 1.22 2.07 -0.15 -3.23 116.25 117.31 3i9b h VAL 11 Ca -0.28 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 66.82 3i9b h VAL 11 Cb 2.01 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 3i9b h VAL 11 CO 0.14 0.13 0.00 0.54 0.02 0.00 0.00 177.57 178.40 3i9b n ARG 12 N -4.39 0.00 0.00 1.57 1.74 0.38 -4.73 116.66 111.22 3i9b n ARG 12 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 3i9b n ARG 12 Cb 0.19 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.63 3i9b n ARG 12 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3i9b n LYS 13 N 0.00 0.00 0.00 5.56 4.01 -1.00 -4.83 118.16 121.90 3i9b n LYS 13 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3i9b n LYS 13 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 3i9b n LYS 13 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3i9b n GLY 14 N -0.34 -2.34 3.59 0.72 0.00 -1.22 -4.90 105.19 100.70 3i9b n GLY 14 Ca 0.00 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.46 3i9b n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i9b s ARG 15 N -5.08 3.09 0.19 1.61 1.81 -1.26 -4.95 118.95 114.36 3i9b s ARG 15 Ca 0.00 1.51 -0.33 0.00 -1.72 0.00 0.00 55.73 55.19 3i9b s ARG 15 Cb 0.00 -4.30 -0.14 0.00 -0.45 0.00 0.00 34.95 30.06 3i9b s ARG 15 CO 0.00 -2.15 1.38 -1.91 -0.68 0.00 0.00 175.30 171.94 3i9b n GLU 16 N 8.65 1.75 0.00 3.54 2.13 -1.26 -4.99 120.64 130.46 3i9b n GLU 16 Ca 0.26 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.70 3i9b n GLU 16 Cb 0.48 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 29.92 3i9b n GLU 16 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3i9b n LYS 17 N 2.31 3.02 0.00 5.31 4.01 -1.26 -5.11 118.16 126.44 3i9b n LYS 17 Ca 0.14 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.94 3i9b n LYS 17 Cb 0.28 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.80 3i9b n LYS 17 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 3i9b n VAL 18 N 0.00 0.00 0.00 -0.18 0.24 -1.26 -5.18 118.33 111.95 3i9b n VAL 18 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3i9b n VAL 18 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3i9b n VAL 18 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3i9b n ARG 19 N 0.00 0.00 -4.33 7.34 0.63 -1.26 -5.12 116.66 113.92 3i9b n ARG 19 Ca 0.00 0.00 -0.17 0.00 -0.92 0.00 0.00 57.85 56.76 3i9b n ARG 19 Cb 0.00 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 32.81 3i9b n ARG 19 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 3i9b s LYS 20 N -2.50 1.45 -0.17 -0.14 0.00 -1.26 -5.14 119.74 111.98 3i9b s LYS 20 Ca 0.00 -1.79 -0.09 0.00 0.00 0.00 0.00 55.97 54.09 3i9b s LYS 20 Cb 0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 37.83 37.46 3i9b s LYS 20 CO 0.00 -0.29 0.13 0.21 0.00 0.00 0.00 175.35 175.39 3i9b s LYS 21 N -4.00 3.91 -0.72 1.78 2.20 -1.26 -5.00 119.74 116.65 3i9b s LYS 21 Ca 0.37 -0.20 -0.26 0.00 -0.36 0.00 0.00 55.97 55.53 3i9b s LYS 21 Cb 0.08 -3.32 -0.10 0.00 -1.51 0.00 0.00 37.83 32.97 3i9b s LYS 21 CO 0.14 0.46 2.30 0.45 -0.36 0.00 0.00 175.35 178.35 3i9b s SER 22 N -0.12 4.29 0.00 1.43 0.15 -1.26 -4.68 113.70 113.52 3i9b s SER 22 Ca 0.10 0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.97 3i9b s SER 22 Cb -0.11 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 3i9b s SER 22 CO 0.00 -3.37 0.08 2.29 1.20 0.00 0.00 173.24 173.44 3i9b n LYS 23 N 8.90 0.16 -2.97 5.44 0.00 -1.26 -2.59 118.16 125.84 3i9b n LYS 23 Ca 0.42 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.59 3i9b n LYS 23 Cb 0.47 -1.08 0.01 0.00 -0.00 0.00 0.00 35.03 34.43 3i9b n LYS 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3i9b n VAL 24 N 0.41 0.16 -0.24 0.58 0.31 -1.26 -5.00 118.33 113.29 3i9b n VAL 24 Ca 0.00 -3.66 0.00 0.00 -0.01 0.00 0.00 64.34 60.67 3i9b n VAL 24 Cb 0.04 0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.23 3i9b n VAL 24 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3i9b n PRO 25 N 0.15 -1.03 -0.10 5.55 -0.04 -1.07 -3.84 135.00 134.63 3i9b n PRO 25 Ca 0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 3i9b n PRO 25 Cb 0.72 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.18 3i9b n PRO 25 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i9b n ALA 26 N -3.00 0.00 -0.06 0.55 0.00 -1.26 -4.68 120.51 112.06 3i9b n ALA 26 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 3i9b n ALA 26 Cb 0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 19.45 19.23 3i9b n ALA 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i9b n LEU 27 N 0.00 1.11 -3.40 0.00 7.99 -1.25 -4.81 117.00 116.65 3i9b n LEU 27 Ca 0.00 -0.03 -0.20 0.00 -0.01 0.00 0.00 56.01 55.78 3i9b n LEU 27 Cb 0.00 -0.01 0.06 0.00 -0.11 0.00 0.00 43.42 43.36 3i9b n LEU 27 CO 0.00 0.43 0.01 1.17 -1.51 0.00 0.00 177.39 177.48 3i9b n LYS 28 N -2.57 -2.52 0.00 3.23 0.00 -1.26 -3.30 118.16 111.74 3i9b n LYS 28 Ca -0.19 0.75 0.00 0.00 0.00 0.00 0.00 58.31 58.87 3i9b n LYS 28 Cb 0.80 -5.39 0.00 0.00 0.00 0.00 0.00 35.03 30.44 3i9b n LYS 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3i9b n GLY 29 N -1.35 1.93 0.00 3.14 0.00 -1.26 -4.96 105.19 102.69 3i9b n GLY 29 Ca -0.11 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3i9b n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9b n ALA 30 N 1.73 -0.30 -0.25 4.61 0.00 -1.21 -4.70 120.51 120.40 3i9b n ALA 30 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 3i9b n ALA 30 Cb 0.00 0.00 0.49 0.00 0.00 0.00 0.00 19.45 19.94 3i9b n ALA 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3i9b h PRO 31 N 0.75 0.44 -4.33 0.00 0.11 -1.93 -3.43 132.00 123.63 3i9b h PRO 31 Ca 0.00 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.94 3i9b h PRO 31 Cb 0.00 -0.10 -0.15 0.00 0.11 0.00 0.00 31.00 30.86 3i9b h PRO 31 CO 0.00 0.29 -0.68 -0.06 -0.21 0.00 0.00 178.00 177.34 3i9b s PHE 32 N -5.48 0.60 0.00 0.65 0.08 -1.26 -4.74 117.98 107.83 3i9b s PHE 32 Ca -0.09 -1.02 0.01 0.00 0.12 0.00 0.00 56.93 55.95 3i9b s PHE 32 Cb 0.23 -0.41 -0.00 0.00 -0.57 0.00 0.00 43.02 42.26 3i9b s PHE 32 CO 0.78 -0.32 -0.03 0.50 -0.10 0.00 0.00 175.22 176.06 3i9b s ARG 33 N -3.83 0.21 0.23 0.44 6.06 -1.16 -4.96 118.95 115.94 3i9b s ARG 33 Ca 0.07 -0.15 -0.03 0.00 -2.50 0.00 0.00 55.73 53.12 3i9b s ARG 33 Cb 0.07 -0.16 -0.05 0.00 0.06 0.00 0.00 34.95 34.87 3i9b s ARG 33 CO -0.09 0.04 0.45 0.50 -2.50 0.00 0.00 175.30 173.71 3i9b s ARG 34 N -0.23 3.57 0.21 5.12 3.52 -1.26 -0.98 118.95 128.90 3i9b s ARG 34 Ca -0.01 -0.18 -0.22 0.00 -0.13 0.00 0.00 55.73 55.19 3i9b s ARG 34 Cb -0.02 -2.76 0.06 0.00 -1.56 0.00 0.00 34.95 30.67 3i9b s ARG 34 CO -0.00 0.33 0.93 0.20 -0.81 0.00 0.00 175.30 175.95 3i9b s GLY 35 N -3.10 -0.02 0.00 8.12 0.00 -1.01 -1.30 107.32 110.01 3i9b s GLY 35 Ca 0.41 -0.19 0.08 0.00 0.00 0.00 0.00 44.72 45.02 3i9b s GLY 35 CO 0.29 0.65 -0.25 0.14 0.00 0.00 0.00 173.10 173.93 3i9b s VAL 36 N -2.87 2.02 0.01 1.40 1.01 -1.11 -2.52 120.40 118.33 3i9b s VAL 36 Ca 0.15 -1.17 -0.30 0.00 0.00 0.00 0.00 61.98 60.66 3i9b s VAL 36 Cb -0.03 -1.69 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 3i9b s VAL 36 CO 0.05 0.49 1.11 0.00 0.00 0.00 0.00 175.10 176.75 3i9b n THR 38 N 4.09 1.69 -3.85 0.00 -2.24 0.15 -4.09 114.28 110.04 3i9b n THR 38 Ca 0.08 -0.68 -0.12 0.00 -2.27 0.00 0.00 64.05 61.07 3i9b n THR 38 Cb 0.48 -1.50 -0.12 0.00 -2.10 0.00 0.00 70.33 67.09 3i9b n THR 38 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3i9b s VAL 39 N -2.56 0.03 -0.47 2.28 1.01 -1.22 -4.96 120.40 114.52 3i9b s VAL 39 Ca -0.20 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.56 3i9b s VAL 39 Cb 0.07 -0.26 0.15 0.00 0.00 0.00 0.00 36.38 36.34 3i9b s VAL 39 CO 0.76 -0.14 0.29 -0.69 0.00 0.00 0.00 175.10 175.33 3i9b s VAL 40 N -0.42 1.33 0.14 2.92 1.01 -1.26 0.55 120.40 124.67 3i9b s VAL 40 Ca -0.05 -2.77 0.02 0.00 0.00 0.00 0.00 61.98 59.17 3i9b s VAL 40 Cb -0.03 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.44 3i9b s VAL 40 CO 0.00 -0.98 0.13 0.54 0.00 0.00 0.00 175.10 174.80 3i9b n ARG 41 N 3.21 1.16 -4.45 2.72 1.74 -0.83 -4.97 116.66 115.24 3i9b n ARG 41 Ca 0.15 -0.83 -0.30 0.00 -0.77 0.00 0.00 57.85 56.10 3i9b n ARG 41 Cb 0.37 0.04 -0.17 0.00 -1.02 0.00 0.00 32.46 31.69 3i9b n ARG 41 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3i9b s THR 42 N -0.41 1.63 -0.03 0.55 -1.32 -1.26 -2.29 115.64 112.52 3i9b s THR 42 Ca 0.10 -0.72 0.05 0.00 -1.21 0.00 0.00 61.69 59.91 3i9b s THR 42 Cb -0.01 -1.48 -0.01 0.00 -1.51 0.00 0.00 72.50 69.49 3i9b s THR 42 CO 0.06 0.47 -0.17 0.68 -2.21 0.00 0.00 174.62 173.45 3i9b s VAL 43 N 1.01 1.37 0.80 5.08 -7.23 0.45 -4.97 120.40 116.91 3i9b s VAL 43 Ca -0.05 -0.72 -0.12 0.00 -1.81 0.00 0.00 61.98 59.28 3i9b s VAL 43 Cb -0.15 -1.16 0.08 0.00 0.56 0.00 0.00 36.38 35.71 3i9b s VAL 43 CO -0.03 0.39 1.15 0.42 -0.31 0.00 0.00 175.10 176.73 3i9b s THR 44 N -0.20 2.50 0.00 5.32 -4.23 -1.26 -1.87 115.64 115.90 3i9b s THR 44 Ca 0.02 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.73 3i9b s THR 44 Cb -0.09 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.20 3i9b s THR 44 CO 0.01 -0.18 0.00 -0.81 -0.54 0.00 0.00 174.62 173.10 3i9b n PRO 45 N -3.39 2.59 -4.08 3.99 -0.04 -1.26 -4.83 135.00 127.99 3i9b n PRO 45 Ca 0.12 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.43 3i9b n PRO 45 Cb 0.52 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.94 3i9b n PRO 45 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3i9b s LYS 46 N 0.00 1.93 0.00 0.54 2.20 -0.79 -4.84 119.74 118.77 3i9b s LYS 46 Ca 0.00 -1.75 0.00 0.00 -0.36 0.00 0.00 55.97 53.86 3i9b s LYS 46 Cb 0.00 0.45 0.00 0.00 -1.51 0.00 0.00 37.83 36.77 3i9b s LYS 46 CO 0.00 -0.80 0.00 1.17 -0.36 0.00 0.00 175.35 175.36 3i9b n LYS 47 N -0.57 0.00 -0.05 4.03 3.00 -1.26 -2.52 118.16 120.79 3i9b n LYS 47 Ca 0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.18 3i9b n LYS 47 Cb 0.61 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.57 3i9b n LYS 47 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 3i9b h PRO 48 N 0.00 0.39 -7.34 1.64 0.13 -1.99 -3.46 132.00 121.37 3i9b h PRO 48 Ca 0.00 -0.25 -0.51 0.00 -0.87 0.00 0.00 66.00 64.37 3i9b h PRO 48 Cb 0.00 0.03 0.11 0.00 0.13 0.00 0.00 31.00 31.27 3i9b h PRO 48 CO 0.00 0.85 0.35 -0.80 -0.23 0.00 0.00 178.00 178.18 3i9b s ASN 49 N -6.30 5.08 -0.02 1.44 0.02 -1.05 -5.08 114.94 109.02 3i9b s ASN 49 Ca -0.14 1.64 -0.01 0.00 -1.02 0.00 0.00 52.86 53.32 3i9b s ASN 49 Cb 0.05 -2.46 0.01 0.00 0.02 0.00 0.00 41.25 38.87 3i9b s ASN 49 CO 0.77 -1.64 0.05 -0.55 0.02 0.00 0.00 177.10 175.75 3i9b s SER 50 N -3.71 -0.03 0.00 -1.22 0.15 -1.26 -3.84 113.70 103.79 3i9b s SER 50 Ca 0.59 0.10 0.00 0.00 0.70 0.00 0.00 55.95 57.34 3i9b s SER 50 Cb -0.15 0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 3i9b s SER 50 CO 0.55 -0.05 0.00 0.00 1.20 0.00 0.00 173.24 174.94 3i9b n ALA 51 N 3.38 0.00 -3.20 5.45 0.00 -1.26 -4.98 120.51 119.90 3i9b n ALA 51 Ca -0.16 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.05 3i9b n ALA 51 Cb 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.97 3i9b n ALA 51 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i9b n LEU 52 N 0.00 1.18 -4.67 0.00 4.77 -1.26 -4.00 117.00 113.01 3i9b n LEU 52 Ca 0.00 -4.97 -0.43 0.00 -0.03 0.00 0.00 56.01 50.59 3i9b n LEU 52 Cb 0.00 0.41 -0.01 0.00 -2.33 0.00 0.00 43.42 41.49 3i9b n LEU 52 CO 0.00 2.16 0.82 0.54 -1.33 0.00 0.00 177.39 179.58 3i9b n ARG 53 N 0.85 1.94 -3.69 3.23 5.12 -0.78 -4.62 116.66 118.70 3i9b n ARG 53 Ca 0.24 0.68 -0.38 0.00 -1.93 0.00 0.00 57.85 56.46 3i9b n ARG 53 Cb 0.54 -2.21 -0.12 0.00 -1.16 0.00 0.00 32.46 29.51 3i9b n ARG 53 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3i9b s LYS 54 N -1.81 3.11 0.43 5.56 1.02 -1.26 -0.41 119.74 126.38 3i9b s LYS 54 Ca 0.56 -0.86 0.06 0.00 0.02 0.00 0.00 55.97 55.75 3i9b s LYS 54 Cb -0.60 -3.51 -0.06 0.00 -0.52 0.00 0.00 37.83 33.14 3i9b s LYS 54 CO 0.62 -0.49 0.08 0.08 -0.92 0.00 0.00 175.35 174.72 3i9b s VAL 55 N 1.54 1.96 -0.08 3.17 1.01 -0.97 -2.30 120.40 124.74 3i9b s VAL 55 Ca 0.03 -1.88 -0.08 0.00 0.00 0.00 0.00 61.98 60.05 3i9b s VAL 55 Cb -0.18 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 33.39 3i9b s VAL 55 CO 0.05 0.00 0.23 0.00 0.00 0.00 0.00 175.10 175.37 3i9b s ALA 56 N -2.70 -0.56 -0.30 5.51 0.00 -0.57 -1.97 121.76 121.18 3i9b s ALA 56 Ca 0.33 0.57 -0.16 0.00 0.00 0.00 0.00 51.96 52.69 3i9b s ALA 56 Cb 0.06 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 3i9b s ALA 56 CO 0.17 -0.12 0.40 0.21 0.00 0.00 0.00 175.76 176.42 3i9b s LYS 57 N -0.07 3.85 -0.08 0.00 2.20 0.19 -1.06 119.74 124.76 3i9b s LYS 57 Ca -0.02 -0.08 -0.01 0.00 -0.36 0.00 0.00 55.97 55.50 3i9b s LYS 57 Cb -0.02 -3.72 -0.03 0.00 -1.51 0.00 0.00 37.83 32.55 3i9b s LYS 57 CO 0.01 -0.40 -0.03 0.08 -0.36 0.00 0.00 175.35 174.65 3i9b s VAL 58 N 2.12 4.03 -0.79 4.02 1.01 0.15 0.33 120.40 131.26 3i9b s VAL 58 Ca 0.15 -0.35 -0.19 0.00 0.00 0.00 0.00 61.98 61.59 3i9b s VAL 58 Cb -0.16 -2.68 0.13 0.00 0.00 0.00 0.00 36.38 33.67 3i9b s VAL 58 CO 0.11 0.60 0.96 -0.60 0.00 0.00 0.00 175.10 176.16 3i9b s ARG 59 N -0.77 3.39 0.87 2.72 6.06 0.50 0.92 118.95 132.66 3i9b s ARG 59 Ca 0.12 -1.61 -0.12 0.00 -2.50 0.00 0.00 55.73 51.62 3i9b s ARG 59 Cb -0.11 -4.59 0.10 0.00 0.06 0.00 0.00 34.95 30.41 3i9b s ARG 59 CO 0.02 -1.66 1.04 1.28 -2.50 0.00 0.00 175.30 173.47 3i9b n LEU 60 N 6.33 3.12 0.23 -0.88 7.99 -1.26 -2.76 117.00 129.77 3i9b n LEU 60 Ca 0.10 0.48 0.06 0.00 -0.01 0.00 0.00 56.01 56.65 3i9b n LEU 60 Cb 0.47 -1.44 0.56 0.00 -0.11 0.00 0.00 43.42 42.90 3i9b n LEU 60 CO 0.52 -2.24 1.00 0.71 -1.51 0.00 0.00 177.39 175.87 3i9b h THR 61 N -1.42 1.06 0.00 -5.08 1.35 -1.56 -0.18 112.91 107.09 3i9b h THR 61 Ca -0.44 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 3i9b h THR 61 Cb 1.29 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 3i9b h THR 61 CO 0.42 0.09 0.00 -1.54 -0.25 0.00 0.00 175.52 174.24 3i9b n SER 62 N -4.44 0.00 -0.26 5.36 3.41 -1.26 -4.87 113.62 111.56 3i9b n SER 62 Ca -0.02 -0.44 -0.03 0.00 -0.26 0.00 0.00 58.87 58.12 3i9b n SER 62 Cb 0.16 -0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 64.04 3i9b n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i9b n GLY 63 N 0.11 0.58 0.12 5.00 0.00 -0.08 -4.98 105.19 105.95 3i9b n GLY 63 Ca 0.12 -0.91 -0.19 0.00 0.00 0.00 0.00 46.02 45.04 3i9b n GLY 63 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3i9b h TYR 64 N 0.00 0.46 -5.36 1.61 -1.99 -1.90 -3.47 116.97 106.32 3i9b h TYR 64 Ca -0.07 -0.34 -0.02 0.00 2.00 0.00 0.00 58.73 60.30 3i9b h TYR 64 Cb 0.30 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.01 3i9b h TYR 64 CO 0.09 1.54 -0.51 -1.91 -0.00 0.00 0.00 178.16 177.37 3i9b n GLU 65 N -3.44 -2.29 -4.06 4.88 2.13 -1.22 -4.87 120.64 111.77 3i9b n GLU 65 Ca -0.24 2.05 -0.27 0.00 0.66 0.00 0.00 57.16 59.36 3i9b n GLU 65 Cb 1.05 -5.49 -0.03 0.00 0.27 0.00 0.00 31.44 27.25 3i9b n GLU 65 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3i9b s VAL 66 N -2.58 1.68 -0.13 6.31 -7.23 0.26 -4.83 120.40 113.89 3i9b s VAL 66 Ca 0.24 -1.60 -0.15 0.00 -1.81 0.00 0.00 61.98 58.66 3i9b s VAL 66 Cb -0.06 -2.28 -0.05 0.00 0.56 0.00 0.00 36.38 34.55 3i9b s VAL 66 CO 0.78 0.00 0.34 0.42 -0.31 0.00 0.00 175.10 176.32 3i9b s THR 67 N -2.76 5.26 0.01 5.32 -4.23 -1.26 0.31 115.64 118.28 3i9b s THR 67 Ca 0.30 0.66 0.03 0.00 -1.18 0.00 0.00 61.69 61.49 3i9b s THR 67 Cb -0.01 -3.67 -0.01 0.00 1.34 0.00 0.00 72.50 70.15 3i9b s THR 67 CO 0.18 0.40 -0.08 0.00 -0.54 0.00 0.00 174.62 174.59 3i9b s ALA 68 N 0.27 0.66 0.21 3.99 0.00 -0.23 -4.00 121.76 122.66 3i9b s ALA 68 Ca 0.19 -0.45 -0.10 0.00 0.00 0.00 0.00 51.96 51.60 3i9b s ALA 68 Cb -0.14 -0.12 -0.07 0.00 0.00 0.00 0.00 23.12 22.79 3i9b s ALA 68 CO 0.06 0.12 0.54 -0.47 0.00 0.00 0.00 175.76 176.02 3i9b s TYR 69 N -0.47 3.46 -0.24 0.00 6.04 -0.12 -1.51 117.35 124.51 3i9b s TYR 69 Ca 0.00 0.89 -0.04 0.00 0.04 0.00 0.00 57.07 57.96 3i9b s TYR 69 Cb -0.05 -2.26 0.00 0.00 -1.04 0.00 0.00 41.96 38.61 3i9b s TYR 69 CO 0.00 0.30 -0.02 0.42 -1.54 0.00 0.00 175.55 174.72 3i9b s ILE 70 N -1.75 3.42 0.55 3.14 1.01 -0.97 0.10 121.20 126.70 3i9b s ILE 70 Ca 0.45 -0.63 -0.15 0.00 0.00 0.00 0.00 60.65 60.32 3i9b s ILE 70 Cb -0.12 -2.64 -0.06 0.00 0.01 0.00 0.00 42.46 39.65 3i9b s ILE 70 CO 0.21 0.30 1.01 -2.84 0.00 0.00 0.00 174.94 173.62 3i9b s PRO 71 N 1.46 3.73 0.00 2.79 0.02 -1.26 -4.74 135.00 136.99 3i9b s PRO 71 Ca 0.04 0.97 0.00 0.00 0.02 0.00 0.00 61.00 62.03 3i9b s PRO 71 Cb -0.15 -2.10 0.00 0.00 0.02 0.00 0.00 34.50 32.27 3i9b s PRO 71 CO -0.02 -0.45 0.00 0.41 -0.33 0.00 0.00 177.00 176.60 3i9b n GLY 72 N -1.67 -0.70 3.45 0.52 0.00 -1.26 -4.90 105.19 100.64 3i9b n GLY 72 Ca 0.07 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 3i9b n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i9b s GLU 73 N -1.69 3.13 0.00 1.61 2.02 -1.26 -4.96 118.70 117.55 3i9b s GLU 73 Ca 0.00 -0.89 0.00 0.00 0.02 0.00 0.00 54.97 54.10 3i9b s GLU 73 Cb 0.00 -3.79 0.00 0.00 0.10 0.00 0.00 34.13 30.44 3i9b s GLU 73 CO 0.00 -0.60 0.00 0.41 0.02 0.00 0.00 175.26 175.09 3i9b n GLY 74 N 5.07 1.74 0.00 -1.39 0.00 -1.26 -4.83 105.19 104.52 3i9b n GLY 74 Ca -0.12 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 43.91 3i9b n GLY 74 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3i9b n HIS 75 N 1.66 0.00 -0.62 1.61 1.44 -1.26 -4.97 115.22 113.07 3i9b n HIS 75 Ca 0.00 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.78 3i9b n HIS 75 Cb 0.00 0.00 0.18 0.00 0.12 0.00 0.00 29.99 30.29 3i9b n HIS 75 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 3i9b n ASN 76 N 0.00 3.13 -4.67 4.39 6.94 -1.26 -5.00 115.26 118.78 3i9b n ASN 76 Ca 0.00 -2.58 -0.43 0.00 -0.02 0.00 0.00 54.58 51.56 3i9b n ASN 76 Cb 0.00 -0.36 -0.02 0.00 -2.36 0.00 0.00 39.78 37.03 3i9b n ASN 76 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3i9b s LEU 77 N -2.02 4.16 0.00 -4.53 1.43 -1.26 -4.95 118.68 111.51 3i9b s LEU 77 Ca 0.29 1.41 0.00 0.00 -1.03 0.00 0.00 54.13 54.80 3i9b s LEU 77 Cb 0.22 -3.50 0.00 0.00 0.03 0.00 0.00 46.19 42.94 3i9b s LEU 77 CO 0.09 -0.55 0.00 0.00 0.23 0.00 0.00 176.35 176.12 3i9b n GLN 78 N 5.68 0.00 0.00 1.70 10.64 -1.26 -4.91 117.38 129.23 3i9b n GLN 78 Ca 0.10 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.27 3i9b n GLN 78 Cb 0.47 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.85 3i9b n GLN 78 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 3i9b n GLU 79 N 0.00 0.00 0.00 2.61 4.07 -1.26 -4.41 120.64 121.65 3i9b n GLU 79 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3i9b n GLU 79 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 3i9b n GLU 79 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 3i9b n HIS 80 N 0.00 0.00 -1.65 4.31 8.25 -1.26 -4.07 115.22 120.80 3i9b n HIS 80 Ca 0.00 0.00 -0.51 0.00 -0.26 0.00 0.00 57.72 56.95 3i9b n HIS 80 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 3i9b n HIS 80 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3i9b n SER 81 N -0.21 2.46 -4.04 0.41 7.64 -1.26 -4.62 113.62 113.99 3i9b n SER 81 Ca 0.00 1.08 -0.30 0.00 1.01 0.00 0.00 58.87 60.66 3i9b n SER 81 Cb 0.00 -1.27 0.21 0.00 -1.01 0.00 0.00 64.21 62.14 3i9b n SER 81 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3i9b s VAL 82 N 1.76 1.79 0.00 0.44 1.01 -1.26 -1.90 120.40 122.24 3i9b s VAL 82 Ca 0.87 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.85 3i9b s VAL 82 Cb -0.86 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 32.82 3i9b s VAL 82 CO 0.49 0.00 0.00 0.55 0.00 0.00 0.00 175.10 176.14 3i9b n VAL 83 N -4.29 0.00 -4.55 2.92 3.14 -1.05 -4.01 118.33 110.50 3i9b n VAL 83 Ca 0.13 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.18 3i9b n VAL 83 Cb 0.59 0.00 -0.11 0.00 -1.06 0.00 0.00 33.84 33.27 3i9b n VAL 83 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 3i9b s LEU 84 N 0.00 3.20 -0.10 6.55 1.98 -1.26 -2.41 118.68 126.63 3i9b s LEU 84 Ca 0.00 -0.05 -0.01 0.00 -2.89 0.00 0.00 54.13 51.18 3i9b s LEU 84 Cb 0.00 -1.75 -0.03 0.00 0.66 0.00 0.00 46.19 45.07 3i9b s LEU 84 CO 0.00 0.33 -0.07 -0.51 -1.89 0.00 0.00 176.35 174.22 3i9b s ILE 85 N -0.89 3.68 -0.14 6.68 1.10 -0.16 -2.08 121.20 129.41 3i9b s ILE 85 Ca 0.14 -0.46 0.13 0.00 -0.51 0.00 0.00 60.65 59.95 3i9b s ILE 85 Cb -0.11 -2.54 -0.18 0.00 0.15 0.00 0.00 42.46 39.78 3i9b s ILE 85 CO 0.04 0.56 0.06 -1.14 -2.11 0.00 0.00 174.94 172.35 3i9b n ARG 86 N 2.77 1.61 -1.66 3.50 0.63 -0.21 -2.99 116.66 120.31 3i9b n ARG 86 Ca -0.18 -0.01 -0.01 0.00 -0.92 0.00 0.00 57.85 56.73 3i9b n ARG 86 Cb 0.53 -1.37 -0.01 0.00 0.45 0.00 0.00 32.46 32.06 3i9b n ARG 86 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3i9b n GLY 87 N 2.10 -3.63 3.64 5.14 0.00 -1.19 -4.80 105.19 106.45 3i9b n GLY 87 Ca -0.22 0.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 3i9b n GLY 87 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i9b s GLY 88 N -0.18 -0.24 1.07 -0.02 0.00 -1.14 -4.69 107.32 102.11 3i9b s GLY 88 Ca -0.05 2.87 -0.14 0.00 0.00 0.00 0.00 44.72 47.40 3i9b s GLY 88 CO 0.15 2.51 1.08 -1.60 0.00 0.00 0.00 173.10 175.24 3i9b s ARG 89 N 1.43 -0.16 -0.44 2.90 3.52 -1.26 -2.98 118.95 121.96 3i9b s ARG 89 Ca -0.09 0.46 0.02 0.00 -0.13 0.00 0.00 55.73 55.99 3i9b s ARG 89 Cb -0.04 -1.67 0.15 0.00 -1.56 0.00 0.00 34.95 31.83 3i9b s ARG 89 CO -0.17 -3.11 0.29 0.08 -0.81 0.00 0.00 175.30 171.58 3i9b s VAL 90 N -2.88 0.99 -0.32 7.11 1.01 -1.13 -4.93 120.40 120.26 3i9b s VAL 90 Ca 0.67 -2.60 -0.17 0.00 0.00 0.00 0.00 61.98 59.88 3i9b s VAL 90 Cb -0.19 -1.69 -0.18 0.00 0.00 0.00 0.00 36.38 34.32 3i9b s VAL 90 CO 0.59 -1.03 1.60 1.17 0.00 0.00 0.00 175.10 177.43 3i9b n LYS 91 N 3.27 0.67 0.00 2.72 4.81 -1.26 -1.36 118.16 127.01 3i9b n LYS 91 Ca 0.17 -1.15 0.00 0.00 -0.87 0.00 0.00 58.31 56.46 3i9b n LYS 91 Cb 0.39 -2.47 0.00 0.00 0.02 0.00 0.00 35.03 32.97 3i9b n LYS 91 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3i9b n ASP 92 N 6.93 0.00 -4.29 3.14 2.03 -1.26 -5.09 116.55 118.01 3i9b n ASP 92 Ca 0.36 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.38 3i9b n ASP 92 Cb 0.27 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.52 3i9b n ASP 92 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3i9b s LEU 93 N -0.29 2.10 0.04 -2.67 1.43 -0.47 -1.89 118.68 116.92 3i9b s LEU 93 Ca 0.00 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.50 3i9b s LEU 93 Cb 0.00 -1.21 -0.06 0.00 0.03 0.00 0.00 46.19 44.96 3i9b s LEU 93 CO 0.00 0.26 0.38 -2.16 0.23 0.00 0.00 176.35 175.06 3i9b s PRO 94 N -0.84 3.78 0.00 1.29 0.04 -1.26 -4.24 135.00 133.77 3i9b s PRO 94 Ca 0.10 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.36 3i9b s PRO 94 Cb -0.09 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.36 3i9b s PRO 94 CO 0.00 0.62 0.00 0.41 0.04 0.00 0.00 177.00 178.07 3i9b n GLY 95 N 1.26 2.09 3.51 0.56 0.00 -1.26 -5.01 105.19 106.34 3i9b n GLY 95 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 3i9b n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i9b s VAL 96 N -2.32 4.70 -0.08 1.61 1.01 -1.26 -4.59 120.40 119.47 3i9b s VAL 96 Ca 0.00 0.09 0.12 0.00 0.00 0.00 0.00 61.98 62.19 3i9b s VAL 96 Cb 0.00 -4.33 0.18 0.00 0.00 0.00 0.00 36.38 32.24 3i9b s VAL 96 CO 0.00 -0.78 1.08 0.54 0.00 0.00 0.00 175.10 175.93 3i9b n ARG 97 N 6.61 1.46 -3.73 2.72 1.74 -1.26 -2.83 116.66 121.37 3i9b n ARG 97 Ca -0.01 -2.09 -0.12 0.00 -0.77 0.00 0.00 57.85 54.86 3i9b n ARG 97 Cb 0.47 -1.24 -0.11 0.00 -1.02 0.00 0.00 32.46 30.57 3i9b n ARG 97 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3i9b s TYR 98 N -2.04 -0.47 0.23 -1.55 1.51 -1.16 -2.89 117.35 110.99 3i9b s TYR 98 Ca 0.20 1.09 0.05 0.00 -1.01 0.00 0.00 57.07 57.41 3i9b s TYR 98 Cb 0.18 0.17 -0.03 0.00 -0.11 0.00 0.00 41.96 42.17 3i9b s TYR 98 CO 0.02 -0.24 0.30 -1.01 -1.11 0.00 0.00 175.55 173.51 3i9b s HIS 99 N 0.55 3.35 0.27 2.71 3.76 -1.24 -0.95 115.29 123.75 3i9b s HIS 99 Ca -0.03 -0.03 -0.04 0.00 -0.15 0.00 0.00 55.06 54.80 3i9b s HIS 99 Cb -0.04 -1.53 -0.05 0.00 1.11 0.00 0.00 32.58 32.07 3i9b s HIS 99 CO -0.03 0.47 0.53 0.42 -0.85 0.00 0.00 174.74 175.28 3i9b s ILE 100 N -2.00 5.05 -0.52 0.60 1.01 0.12 -1.05 121.20 124.41 3i9b s ILE 100 Ca 0.34 -0.00 -0.12 0.00 0.00 0.00 0.00 60.65 60.86 3i9b s ILE 100 Cb -0.09 -3.73 0.13 0.00 0.01 0.00 0.00 42.46 38.78 3i9b s ILE 100 CO 0.28 -0.29 0.43 -0.69 0.00 0.00 0.00 174.94 174.66 3i9b s VAL 101 N -2.04 4.69 0.25 2.92 1.01 -0.88 -4.65 120.40 121.70 3i9b s VAL 101 Ca 0.43 -1.71 -0.30 0.00 0.00 0.00 0.00 61.98 60.40 3i9b s VAL 101 Cb -0.11 -4.04 -0.10 0.00 0.00 0.00 0.00 36.38 32.13 3i9b s VAL 101 CO 0.30 -0.83 1.47 -0.13 0.00 0.00 0.00 175.10 175.91 3i9b s ARG 102 N 1.40 4.24 0.00 2.72 0.52 -1.26 -3.46 118.95 123.11 3i9b s ARG 102 Ca 0.05 2.35 0.00 0.00 -0.52 0.00 0.00 55.73 57.61 3i9b s ARG 102 Cb -0.27 -3.10 0.00 0.00 0.52 0.00 0.00 34.95 32.10 3i9b s ARG 102 CO 0.01 -0.46 0.00 0.41 0.02 0.00 0.00 175.30 175.27 3i9b n GLY 103 N 2.26 1.35 2.88 -3.53 0.00 0.34 -3.20 105.19 105.30 3i9b n GLY 103 Ca 0.07 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 3i9b n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i9b s VAL 104 N -2.00 -0.03 0.00 1.61 1.01 -0.82 -4.96 120.40 115.21 3i9b s VAL 104 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.08 3i9b s VAL 104 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 36.38 36.27 3i9b s VAL 104 CO 0.00 0.04 0.00 -1.22 0.00 0.00 0.00 175.10 173.92 3i9b n TYR 105 N 3.59 0.00 0.01 5.22 0.53 -1.26 -1.05 117.16 124.20 3i9b n TYR 105 Ca -0.19 0.00 0.03 0.00 -1.02 0.00 0.00 57.90 56.72 3i9b n TYR 105 Cb 0.55 0.00 0.21 0.00 -1.03 0.00 0.00 39.34 39.07 3i9b n TYR 105 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 3i9b n ASP 106 N 4.98 3.46 -4.37 7.72 10.43 -1.26 -4.77 116.55 132.75 3i9b n ASP 106 Ca 0.00 -2.50 -0.45 0.00 2.57 0.00 0.00 54.79 54.41 3i9b n ASP 106 Cb 0.00 -0.60 -0.06 0.00 1.84 0.00 0.00 41.12 42.30 3i9b n ASP 106 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3i9b s ALA 107 N -1.91 3.56 1.36 2.24 0.00 -0.21 -4.65 121.76 122.15 3i9b s ALA 107 Ca 0.28 -2.23 -0.19 0.00 0.00 0.00 0.00 51.96 49.82 3i9b s ALA 107 Cb 0.22 -3.20 0.30 0.00 0.00 0.00 0.00 23.12 20.44 3i9b s ALA 107 CO 0.08 -1.90 0.68 0.00 0.00 0.00 0.00 175.76 174.62 3i9b n ALA 108 N 5.39 -4.13 -2.57 0.00 0.00 -1.26 0.13 120.51 118.07 3i9b n ALA 108 Ca -0.12 -1.20 -0.27 0.00 0.00 0.00 0.00 53.44 51.85 3i9b n ALA 108 Cb 0.42 -0.11 -0.09 0.00 0.00 0.00 0.00 19.45 19.67 3i9b n ALA 108 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i9b s GLY 109 N -2.80 1.73 -0.68 0.00 0.00 -1.25 -0.57 107.32 103.75 3i9b s GLY 109 Ca 0.52 -1.48 -0.26 0.00 0.00 0.00 0.00 44.72 43.50 3i9b s GLY 109 CO 0.44 -1.50 1.79 0.14 0.00 0.00 0.00 173.10 173.96 3i9b s VAL 110 N -1.73 3.43 0.31 1.40 1.01 -1.15 -4.93 120.40 118.75 3i9b s VAL 110 Ca 0.25 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 62.05 3i9b s VAL 110 Cb -0.09 -4.11 -0.12 0.00 0.00 0.00 0.00 36.38 32.07 3i9b s VAL 110 CO 0.15 -1.07 1.54 2.29 0.00 0.00 0.00 175.10 178.02 3i9b n LYS 111 N 9.16 2.62 -0.63 2.72 -0.00 -1.26 -2.42 118.16 128.35 3i9b n LYS 111 Ca 0.21 0.93 0.00 0.00 -0.00 0.00 0.00 58.31 59.45 3i9b n LYS 111 Cb 0.51 -2.68 0.00 0.00 -0.00 0.00 0.00 35.03 32.86 3i9b n LYS 111 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3i9b n ASP 112 N 1.65 -1.89 -4.83 -5.58 10.43 -1.26 -5.06 116.55 110.01 3i9b n ASP 112 Ca 0.07 0.00 -0.37 0.00 2.57 0.00 0.00 54.79 57.06 3i9b n ASP 112 Cb 0.37 -0.31 -0.06 0.00 1.84 0.00 0.00 41.12 42.95 3i9b n ASP 112 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 3i9b s ARG 113 N -0.79 3.73 0.00 -1.24 6.06 -1.02 -4.97 118.95 120.73 3i9b s ARG 113 Ca 0.00 -0.02 0.00 0.00 -2.50 0.00 0.00 55.73 53.21 3i9b s ARG 113 Cb 0.00 -3.26 0.00 0.00 0.06 0.00 0.00 34.95 31.75 3i9b s ARG 113 CO 0.00 0.63 0.00 1.63 -2.50 0.00 0.00 175.30 175.06 3i9b n LYS 114 N 2.36 0.65 -3.11 5.12 5.02 -1.26 -4.89 118.16 122.06 3i9b n LYS 114 Ca -0.17 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.72 3i9b n LYS 114 Cb 0.54 -0.79 -0.05 0.00 -0.02 0.00 0.00 35.03 34.71 3i9b n LYS 114 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3i9b s LYS 115 N -1.58 4.32 -1.35 1.97 1.02 -1.26 -4.09 119.74 118.77 3i9b s LYS 115 Ca 0.00 0.72 -0.03 0.00 0.02 0.00 0.00 55.97 56.68 3i9b s LYS 115 Cb 0.00 -3.51 0.02 0.00 -0.52 0.00 0.00 37.83 33.82 3i9b s LYS 115 CO 0.00 -0.07 0.74 -1.13 -0.92 0.00 0.00 175.35 173.97 3i9b n SER 116 N 4.37 -1.81 0.23 2.83 3.41 -1.26 -4.86 113.62 116.54 3i9b n SER 116 Ca -0.02 -0.82 0.08 0.00 -0.26 0.00 0.00 58.87 57.85 3i9b n SER 116 Cb 0.51 -3.98 0.57 0.00 -0.26 0.00 0.00 64.21 61.04 3i9b n SER 116 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3i9b h ARG 117 N -1.91 0.00 -0.35 4.33 3.08 -1.89 -3.04 114.38 114.59 3i9b h ARG 117 Ca -0.61 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.49 3i9b h ARG 117 Cb 1.36 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.34 3i9b h ARG 117 CO 0.59 0.19 -0.54 1.03 -1.07 0.00 0.00 179.97 180.16 3i9b h SER 118 N 0.00 -1.80 0.00 7.04 0.87 -1.89 0.59 113.55 118.36 3i9b h SER 118 Ca -0.00 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 3i9b h SER 118 Cb 0.38 0.73 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 3i9b h SER 118 CO 0.02 -0.41 0.00 0.29 -0.53 0.00 0.00 176.83 176.21 3i9b n LYS 119 N -5.31 0.25 -1.56 2.24 5.02 -1.15 -2.36 118.16 115.29 3i9b n LYS 119 Ca -0.04 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.29 3i9b n LYS 119 Cb 0.34 -1.14 0.02 0.00 -0.02 0.00 0.00 35.03 34.23 3i9b n LYS 119 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3i9b n TYR 120 N -0.64 0.06 -3.92 2.13 4.01 0.20 -4.90 117.16 114.10 3i9b n TYR 120 Ca 0.02 -0.58 -0.30 0.00 -0.16 0.00 0.00 57.90 56.88 3i9b n TYR 120 Cb 0.01 -0.15 -0.02 0.00 -0.31 0.00 0.00 39.34 38.87 3i9b n TYR 120 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i9b n GLY 121 N 0.45 -0.40 3.01 2.72 0.00 -0.79 -2.91 105.19 107.27 3i9b n GLY 121 Ca 0.06 0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 3i9b n GLY 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i9b s THR 122 N -3.97 1.73 0.84 2.61 2.01 -1.18 -3.83 115.64 113.85 3i9b s THR 122 Ca 0.22 -1.10 -0.16 0.00 0.31 0.00 0.00 61.69 60.97 3i9b s THR 122 Cb -0.12 -1.81 -0.08 0.00 0.01 0.00 0.00 72.50 70.50 3i9b s THR 122 CO 0.70 0.15 -0.05 0.29 -0.69 0.00 0.00 174.62 175.03 3i9b n LYS 123 N 4.65 0.01 -1.63 4.92 4.76 -1.26 -4.67 118.16 124.94 3i9b n LYS 123 Ca -0.15 0.03 -0.45 0.00 -2.87 0.00 0.00 58.31 54.87 3i9b n LYS 123 Cb 0.46 -1.43 -0.02 0.00 -1.84 0.00 0.00 35.03 32.20 3i9b n LYS 123 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 3i9b n LYS 124 N 0.46 1.67 -0.89 1.97 4.81 -1.26 -4.74 118.16 120.18 3i9b n LYS 124 Ca 0.05 0.59 -0.34 0.00 -0.87 0.00 0.00 58.31 57.74 3i9b n LYS 124 Cb 0.52 -2.09 -0.04 0.00 0.02 0.00 0.00 35.03 33.44 3i9b n LYS 124 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 3i9b n PRO 125 N 1.13 0.00 -0.49 1.64 -0.04 -1.26 -4.82 135.00 131.16 3i9b n PRO 125 Ca 0.10 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.44 3i9b n PRO 125 Cb 0.32 -0.83 0.11 0.00 -0.04 0.00 0.00 33.50 33.06 3i9b n PRO 125 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 3i9b n LYS 126 N 0.83 -0.70 0.00 0.54 0.00 -1.26 -4.80 118.16 112.77 3i9b n LYS 126 Ca 0.12 -0.54 0.00 0.00 -0.00 0.00 0.00 58.31 57.89 3i9b n LYS 126 Cb 0.07 -1.25 0.00 0.00 -0.00 0.00 0.00 35.03 33.86 3i9b n LYS 126 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3i9b n GLU 127 N -0.61 0.00 0.00 -1.58 4.71 -1.26 -4.45 120.64 117.45 3i9b n GLU 127 Ca 0.05 0.03 0.00 0.00 -0.01 0.00 0.00 57.16 57.23 3i9b n GLU 127 Cb 0.22 -0.11 0.00 0.00 -1.01 0.00 0.00 31.44 30.54 3i9b n GLU 127 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3i9b n ALA 128 N -0.53 0.00 -0.60 0.62 0.00 -1.26 -5.23 120.51 113.51 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 0.00 0.00 0.00 0.00 177.50 177.50