#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r4b s PHE 46 N 0.00 3.22 0.02 -1.42 0.40 -1.26 -4.50 117.98 114.44 1r4b s PHE 46 Ca 0.00 -0.00 -0.30 0.00 -0.60 0.00 0.00 56.93 56.03 1r4b s PHE 46 Cb 0.00 -2.21 -0.04 0.00 0.51 0.00 0.00 43.02 41.28 1r4b s PHE 46 CO 0.00 -0.04 1.08 0.99 0.70 0.00 0.00 175.22 177.95 1r4b s THR 47 N 1.04 4.51 -0.17 0.64 2.01 -0.33 -4.74 115.64 118.60 1r4b s THR 47 Ca 0.05 1.80 0.01 0.00 0.31 0.00 0.00 61.69 63.87 1r4b s THR 47 Cb -0.14 -4.15 0.02 0.00 0.01 0.00 0.00 72.50 68.23 1r4b s THR 47 CO 0.04 0.13 -0.20 -0.70 -0.69 0.00 0.00 174.62 173.19 1r4b s GLU 48 N 1.13 3.01 0.04 4.92 2.12 -1.26 -0.93 118.70 127.73 1r4b s GLU 48 Ca 0.55 -0.83 -0.30 0.00 0.36 0.00 0.00 54.97 54.74 1r4b s GLU 48 Cb -0.24 -2.53 -0.04 0.00 0.26 0.00 0.00 34.13 31.57 1r4b s GLU 48 CO 0.28 -0.14 0.98 -0.06 -0.54 0.00 0.00 175.26 175.78 1r4b s PHE 49 N 1.12 3.71 -0.55 5.30 0.08 -1.26 -4.93 117.98 121.44 1r4b s PHE 49 Ca 0.01 1.73 0.07 0.00 0.12 0.00 0.00 56.93 58.86 1r4b s PHE 49 Cb -0.14 -3.10 -0.03 0.00 -0.57 0.00 0.00 43.02 39.18 1r4b s PHE 49 CO -0.09 0.04 0.45 0.25 -0.10 0.00 0.00 175.22 175.77 1r4b n THR 50 N 3.53 0.00 -4.03 0.64 -2.24 -1.26 -4.74 114.28 106.18 1r4b n THR 50 Ca 0.05 -0.39 -0.17 0.00 -2.27 0.00 0.00 64.05 61.27 1r4b n THR 50 Cb 0.50 1.06 -0.16 0.00 -2.10 0.00 0.00 70.33 69.63 1r4b n THR 50 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1r4b s ASN 51 N -1.32 0.55 0.28 3.42 3.84 -1.26 -5.04 114.94 115.41 1r4b s ASN 51 Ca 0.05 -0.06 0.02 0.00 0.21 0.00 0.00 52.86 53.08 1r4b s ASN 51 Cb 0.06 -0.23 0.68 0.00 -0.55 0.00 0.00 41.25 41.21 1r4b s ASN 51 CO 0.22 -0.05 1.70 0.58 -2.79 0.00 0.00 177.10 176.76 1r4b h VAL 52 N 5.91 0.50 -0.52 -5.21 2.07 -1.98 -0.47 116.25 116.55 1r4b h VAL 52 Ca -0.38 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 1r4b h VAL 52 Cb 1.15 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1r4b h VAL 52 CO 0.48 0.07 0.20 -0.33 0.02 0.00 0.00 177.57 178.02 1r4b h GLU 53 N 0.40 0.78 -0.27 1.57 5.08 -1.99 0.57 114.58 120.73 1r4b h GLU 53 Ca 0.54 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.66 1r4b h GLU 53 Cb 0.99 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1r4b h GLU 53 CO -0.51 0.69 -0.19 1.49 -1.00 0.00 0.00 179.01 179.48 1r4b h GLU 54 N 0.70 0.60 -0.61 2.33 4.57 -1.83 -2.08 114.58 118.26 1r4b h GLU 54 Ca 0.17 -0.29 0.06 0.00 -1.18 0.00 0.00 59.36 58.12 1r4b h GLU 54 Cb 0.20 -0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.74 1r4b h GLU 54 CO -0.01 0.88 0.32 0.00 -1.18 0.00 0.00 179.01 179.01 1r4b h ALA 55 N 0.71 0.80 -0.48 2.92 0.00 -0.81 -0.92 119.26 121.49 1r4b h ALA 55 Ca 0.05 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1r4b h ALA 55 Cb 0.73 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1r4b h ALA 55 CO 0.05 -0.02 -0.19 0.87 0.00 0.00 0.00 179.25 179.97 1r4b h LYS 56 N 0.60 0.98 -0.23 0.00 1.57 -0.85 -0.25 116.57 118.39 1r4b h LYS 56 Ca 0.27 -0.41 0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1r4b h LYS 56 Cb 0.18 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.40 1r4b h LYS 56 CO -0.18 1.08 -0.13 0.87 -0.57 0.00 0.00 179.45 180.52 1r4b h LYS 57 N 0.83 -0.10 -0.20 3.15 1.57 -1.11 0.70 116.57 121.41 1r4b h LYS 57 Ca 0.11 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1r4b h LYS 57 Cb 0.76 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 1r4b h LYS 57 CO 0.06 -0.07 0.08 2.35 -0.57 0.00 0.00 179.45 181.30 1r4b h TRP 58 N -0.11 0.31 -0.29 -1.35 7.01 -0.89 -2.48 115.95 118.14 1r4b h TRP 58 Ca 0.13 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.08 1r4b h TRP 58 Cb 0.30 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.25 1r4b h TRP 58 CO -0.30 0.35 0.10 0.78 -2.79 0.00 0.00 178.44 176.59 1r4b h GLY 59 N 0.18 0.48 1.52 2.65 0.00 -0.87 -2.76 103.07 104.27 1r4b h GLY 59 Ca 0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1r4b h GLY 59 CO -0.01 0.26 0.14 3.43 0.00 0.00 0.00 176.54 180.36 1r4b h ASN 60 N 0.32 0.57 -0.23 0.19 -0.26 -0.81 -0.69 115.58 114.66 1r4b h ASN 60 Ca 0.10 -0.07 -0.03 0.00 -0.56 0.00 0.00 56.30 55.73 1r4b h ASN 60 Cb 0.22 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.32 1r4b h ASN 60 CO -0.01 0.54 0.06 0.00 -1.06 0.00 0.00 177.43 176.96 1r4b h ALA 61 N 1.54 1.52 0.11 -0.83 0.00 -1.16 -2.18 119.26 118.26 1r4b h ALA 61 Ca 0.15 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1r4b h ALA 61 Cb 0.18 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1r4b h ALA 61 CO -0.01 0.36 -0.74 1.96 0.00 0.00 0.00 179.25 180.82 1r4b h GLN 62 N 0.45 0.23 -0.88 0.00 1.08 -1.17 -3.33 115.11 111.48 1r4b h GLN 62 Ca 0.11 -0.39 0.14 0.00 -1.45 0.00 0.00 58.65 57.06 1r4b h GLN 62 Cb 0.21 0.14 -0.07 0.00 -0.05 0.00 0.00 27.48 27.71 1r4b h GLN 62 CO -0.00 1.18 0.57 -0.92 -0.95 0.00 0.00 178.83 178.71 1r4b h TYR 63 N -0.51 0.79 0.00 2.96 3.20 -1.03 -0.29 116.97 122.09 1r4b h TYR 63 Ca -0.14 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.75 1r4b h TYR 63 Cb 1.52 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 39.54 1r4b h TYR 63 CO 0.20 0.29 -0.01 0.87 -1.64 0.00 0.00 178.16 177.87 1r4b h LYS 64 N 0.67 0.00 0.00 1.82 1.79 -1.51 -2.30 116.57 117.04 1r4b h LYS 64 Ca 0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.91 1r4b h LYS 64 Cb 0.73 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 1r4b h LYS 64 CO -0.20 0.01 -0.94 1.63 -1.08 0.00 0.00 179.45 178.88 1r4b n LYS 65 N -3.54 0.26 -0.04 3.15 4.01 -0.12 -4.48 118.16 117.40 1r4b n LYS 65 Ca -0.03 0.01 -0.11 0.00 -0.51 0.00 0.00 58.31 57.68 1r4b n LYS 65 Cb 0.10 -1.60 -0.04 0.00 -0.51 0.00 0.00 35.03 32.98 1r4b n LYS 65 CO 0.00 0.00 0.00 1.88 -1.11 0.00 0.00 177.40 178.17 1r4b h TYR 66 N 0.00 0.25 -4.48 2.13 0.05 -1.37 -3.47 116.97 110.08 1r4b h TYR 66 Ca 0.00 -0.01 -0.27 0.00 0.05 0.00 0.00 58.73 58.50 1r4b h TYR 66 Cb 0.71 -0.08 0.10 0.00 1.01 0.00 0.00 36.73 38.47 1r4b h TYR 66 CO 0.00 0.24 -0.50 0.41 -1.05 0.00 0.00 178.16 177.26 1r4b n GLY 67 N -0.91 -0.11 3.76 3.88 0.00 -1.26 -4.88 105.19 105.67 1r4b n GLY 67 Ca -0.04 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1r4b n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r4b s LEU 68 N -5.37 4.44 0.85 0.99 1.43 -1.26 -5.01 118.68 114.74 1r4b s LEU 68 Ca 0.31 2.61 -0.12 0.00 -1.03 0.00 0.00 54.13 55.90 1r4b s LEU 68 Cb -0.13 -3.64 0.10 0.00 0.03 0.00 0.00 46.19 42.54 1r4b s LEU 68 CO 0.52 -0.50 1.10 -0.94 0.23 0.00 0.00 176.35 176.76 1r4b s SER 69 N -0.39 4.03 0.16 2.29 1.04 -1.26 -4.81 113.70 114.76 1r4b s SER 69 Ca 0.50 1.28 -0.15 0.00 0.48 0.00 0.00 55.95 58.05 1r4b s SER 69 Cb -0.39 -1.97 0.06 0.00 0.10 0.00 0.00 66.02 63.83 1r4b s SER 69 CO 0.49 -2.26 1.79 0.50 0.98 0.00 0.00 173.24 174.75 1r4b h LYS 70 N -1.29 0.46 -0.68 4.02 3.64 -1.99 -1.25 116.57 119.48 1r4b h LYS 70 Ca -0.48 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.85 1r4b h LYS 70 Cb 1.29 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 1r4b h LYS 70 CO 0.59 0.31 0.34 -1.35 -2.27 0.00 0.00 179.45 177.06 1r4b h PRO 71 N 0.48 0.96 -0.59 1.90 0.11 -1.99 -1.16 132.00 131.71 1r4b h PRO 71 Ca 0.17 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 1r4b h PRO 71 Cb 0.04 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 30.94 1r4b h PRO 71 CO -0.10 0.73 0.31 0.93 -0.21 0.00 0.00 178.00 179.67 1r4b h GLU 72 N 0.96 0.83 -0.56 1.05 5.08 -1.81 -2.02 114.58 118.12 1r4b h GLU 72 Ca 0.24 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 1r4b h GLU 72 Cb 0.08 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1r4b h GLU 72 CO -0.03 0.65 0.08 1.96 -1.00 0.00 0.00 179.01 180.66 1r4b h GLN 73 N 0.80 0.93 -0.42 2.33 4.20 -0.92 -1.95 115.11 120.09 1r4b h GLN 73 Ca 0.21 -0.26 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 1r4b h GLN 73 Cb 0.06 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1r4b h GLN 73 CO -0.03 0.90 -0.08 0.93 -0.67 0.00 0.00 178.83 179.89 1r4b h GLU 74 N 0.82 0.72 -0.40 1.46 5.08 -1.05 0.22 114.58 121.43 1r4b h GLU 74 Ca 0.17 -0.22 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 1r4b h GLU 74 Cb 0.43 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1r4b h GLU 74 CO 0.01 0.79 -0.22 0.00 -1.00 0.00 0.00 179.01 178.59 1r4b h ALA 75 N 1.25 0.56 -0.35 3.43 0.00 -1.20 -0.97 119.26 121.99 1r4b h ALA 75 Ca 0.12 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1r4b h ALA 75 Cb 0.52 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1r4b h ALA 75 CO 0.03 0.54 0.00 0.82 0.00 0.00 0.00 179.25 180.64 1r4b h ILE 76 N 0.66 1.26 -0.95 0.00 2.04 -1.19 -1.55 117.51 117.78 1r4b h ILE 76 Ca 0.09 -0.97 0.04 0.00 1.00 0.00 0.00 64.86 65.02 1r4b h ILE 76 Cb 0.78 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.99 1r4b h ILE 76 CO 0.06 0.32 0.62 0.50 0.00 0.00 0.00 178.15 179.65 1r4b h LYS 77 N 0.44 1.13 -0.52 2.37 3.64 -0.89 -1.06 116.57 121.68 1r4b h LYS 77 Ca 0.10 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1r4b h LYS 77 Cb 0.45 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1r4b h LYS 77 CO 0.02 0.75 0.22 0.35 -2.27 0.00 0.00 179.45 178.52 1r4b h PHE 78 N 1.17 0.79 -0.31 1.91 3.57 -0.92 -2.11 116.94 121.04 1r4b h PHE 78 Ca 0.38 -0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.88 1r4b h PHE 78 Cb 0.05 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.50 1r4b h PHE 78 CO -0.00 0.64 0.00 -0.92 -2.23 0.00 0.00 178.31 175.81 1r4b h TYR 79 N 0.71 -0.01 0.00 0.41 5.03 -0.66 -2.49 116.97 119.96 1r4b h TYR 79 Ca 0.18 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.47 1r4b h TYR 79 Cb 0.18 0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.51 1r4b h TYR 79 CO 0.00 -0.05 -0.19 1.79 -1.32 0.00 0.00 178.16 178.39 1r4b h THR 80 N 0.10 1.10 -0.98 1.81 1.35 -0.87 -1.68 112.91 113.74 1r4b h THR 80 Ca 0.15 -0.68 0.03 0.00 -0.55 0.00 0.00 66.41 65.36 1r4b h THR 80 Cb 0.20 1.37 -0.05 0.00 -1.73 0.00 0.00 68.15 67.93 1r4b h THR 80 CO -0.25 0.19 0.64 -0.09 -0.25 0.00 0.00 175.52 175.76 1r4b h ARG 81 N 0.00 1.22 -0.79 4.72 2.43 -0.91 -3.41 114.38 117.65 1r4b h ARG 81 Ca -0.00 -0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.16 1r4b h ARG 81 Cb 0.35 -0.28 -0.20 0.00 -0.42 0.00 0.00 29.97 29.43 1r4b h ARG 81 CO 0.03 0.81 -0.29 0.34 -1.51 0.00 0.00 179.97 179.34 1r4b s ASP 82 N -6.01 -1.27 0.54 -3.80 -1.08 -1.00 -5.04 116.67 99.01 1r4b s ASP 82 Ca -0.13 -0.03 0.23 0.00 -0.52 0.00 0.00 52.55 52.10 1r4b s ASP 82 Cb 0.18 1.75 1.47 0.00 -1.46 0.00 0.00 42.92 44.86 1r4b s ASP 82 CO 0.81 -0.21 2.15 0.00 0.52 0.00 0.00 175.17 178.44 1r4b h ALA 83 N 7.50 1.66 -0.05 3.66 0.00 -1.55 -2.01 119.26 128.45 1r4b h ALA 83 Ca -0.02 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1r4b h ALA 83 Cb 1.19 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1r4b h ALA 83 CO 0.07 0.06 0.06 0.66 0.00 0.00 0.00 179.25 180.11 1r4b h SER 84 N 0.00 0.00 1.23 0.00 4.64 -1.96 0.17 113.55 117.63 1r4b h SER 84 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r4b h SER 84 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1r4b h SER 84 CO 0.01 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.08 1r4b h LYS 85 N 0.00 0.00 0.00 4.77 1.79 -1.73 -1.20 116.57 120.20 1r4b h LYS 85 Ca 0.03 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.12 1r4b h LYS 85 Cb 0.15 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.74 1r4b h LYS 85 CO -0.00 0.00 -2.26 -0.89 -1.08 0.00 0.00 179.45 175.22 1r4b n ILE 86 N -2.94 1.24 0.13 1.86 2.08 -0.69 -4.51 119.36 116.54 1r4b n ILE 86 Ca 0.02 -0.34 -0.02 0.00 0.56 0.00 0.00 62.75 62.97 1r4b n ILE 86 Cb 0.35 -1.72 0.17 0.00 -0.75 0.00 0.00 39.64 37.70 1r4b n ILE 86 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 1r4b h ASN 87 N -0.68 0.06 0.41 4.38 2.35 -1.08 -2.34 115.58 118.68 1r4b h ASN 87 Ca -0.56 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.14 1r4b h ASN 87 Cb 1.55 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.89 1r4b h ASN 87 CO -0.30 0.64 -0.29 1.23 -1.65 0.00 0.00 177.43 177.06 1r4b h GLY 88 N 1.71 -0.94 0.26 2.83 0.00 -1.40 -0.39 103.07 105.14 1r4b h GLY 88 Ca -0.01 0.40 0.20 0.00 0.00 0.00 0.00 47.33 47.93 1r4b h GLY 88 CO 0.08 -0.31 0.61 -2.55 0.00 0.00 0.00 176.54 174.36 1r4b h PRO 89 N -0.66 0.46 -0.41 4.80 0.11 -1.74 0.27 132.00 134.82 1r4b h PRO 89 Ca -0.05 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.94 1r4b h PRO 89 Cb 0.54 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 1r4b h PRO 89 CO 0.03 0.30 -0.09 -0.07 -0.21 0.00 0.00 178.00 177.97 1r4b h LEU 90 N 0.47 0.80 -0.55 2.35 3.38 -1.17 -1.79 115.31 118.79 1r4b h LEU 90 Ca 0.49 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1r4b h LEU 90 Cb 1.14 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1r4b h LEU 90 CO -0.21 0.97 0.19 0.03 0.09 0.00 0.00 178.44 179.51 1r4b h ARG 91 N 0.61 0.84 -0.88 1.13 3.08 -0.26 -0.71 114.38 118.20 1r4b h ARG 91 Ca 0.11 -0.17 0.05 0.00 0.07 0.00 0.00 59.98 60.04 1r4b h ARG 91 Cb 0.61 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.48 1r4b h ARG 91 CO 0.04 0.75 0.57 0.00 -1.07 0.00 0.00 179.97 180.26 1r4b h ALA 92 N 1.05 1.50 -0.70 0.04 0.00 -0.81 -1.78 119.26 118.56 1r4b h ALA 92 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1r4b h ALA 92 Cb 0.24 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1r4b h ALA 92 CO -0.01 0.38 0.00 0.09 0.00 0.00 0.00 179.25 179.71 1r4b n ASN 93 N -4.47 4.34 -3.98 0.00 3.02 -0.69 -4.95 115.26 108.53 1r4b n ASN 93 Ca 0.13 -2.20 -0.27 0.00 -0.03 0.00 0.00 54.58 52.21 1r4b n ASN 93 Cb 0.16 -0.53 -0.02 0.00 -0.61 0.00 0.00 39.78 38.78 1r4b n ASN 93 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r4b n GLN 94 N 1.43 -3.38 -0.53 3.52 6.02 -0.67 -1.39 117.38 122.38 1r4b n GLN 94 Ca 0.25 0.41 0.00 0.00 -0.01 0.00 0.00 57.00 57.65 1r4b n GLN 94 Cb 0.75 -4.64 0.00 0.00 1.02 0.00 0.00 30.24 27.36 1r4b n GLN 94 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1r4b n GLY 95 N -1.90 1.39 3.55 1.08 0.00 -0.34 -4.96 105.19 104.01 1r4b n GLY 95 Ca -0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 1r4b n GLY 95 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1r4b s ASN 96 N -3.08 5.90 0.49 1.61 2.47 -0.49 -4.87 114.94 116.98 1r4b s ASN 96 Ca 0.00 -0.26 0.20 0.00 0.42 0.00 0.00 52.86 53.22 1r4b s ASN 96 Cb 0.00 -2.55 1.24 0.00 -1.45 0.00 0.00 41.25 38.49 1r4b s ASN 96 CO 0.00 -2.00 2.05 1.05 -3.72 0.00 0.00 177.10 174.49 1r4b h GLU 97 N 11.45 0.00 0.00 0.43 9.09 -1.93 -2.05 114.58 131.58 1r4b h GLU 97 Ca -0.26 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.15 1r4b h GLU 97 Cb 1.08 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.18 1r4b h GLU 97 CO 1.27 0.13 0.00 -0.91 0.05 0.00 0.00 179.01 179.55 1r4b h ASN 98 N 0.00 0.00 0.25 3.06 -0.26 -1.97 -1.53 115.58 115.13 1r4b h ASN 98 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1r4b h ASN 98 Cb 0.27 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 1r4b h ASN 98 CO 0.02 0.00 -0.27 0.61 -1.06 0.00 0.00 177.43 176.73 1r4b n GLY 99 N -0.82 -0.64 3.80 2.83 0.00 -0.77 -4.93 105.19 104.67 1r4b n GLY 99 Ca -0.02 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 1r4b n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r4b s LEU 100 N -2.52 3.96 0.46 0.99 1.43 -0.58 -5.00 118.68 117.42 1r4b s LEU 100 Ca 0.24 1.86 -0.24 0.00 -1.03 0.00 0.00 54.13 54.96 1r4b s LEU 100 Cb 0.19 -4.45 -0.09 0.00 0.03 0.00 0.00 46.19 41.87 1r4b s LEU 100 CO 0.53 -0.55 1.20 -2.65 0.23 0.00 0.00 176.35 175.11 1r4b n PRO 101 N -0.61 1.68 -0.35 1.29 -0.02 -1.26 -4.66 135.00 131.07 1r4b n PRO 101 Ca 0.07 0.60 0.13 0.00 -2.02 0.00 0.00 63.50 62.29 1r4b n PRO 101 Cb 0.52 -2.33 0.32 0.00 -0.02 0.00 0.00 33.50 32.00 1r4b n PRO 101 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r4b h ALA 102 N 1.71 1.66 -0.11 3.55 0.00 -1.97 0.01 119.26 124.12 1r4b h ALA 102 Ca -0.48 0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.34 1r4b h ALA 102 Cb 1.31 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1r4b h ALA 102 CO 0.58 -0.07 -0.66 0.38 0.00 0.00 0.00 179.25 179.47 1r4b h ASP 103 N 0.74 0.53 -0.18 0.00 2.03 -2.00 -1.79 116.42 115.75 1r4b h ASP 103 Ca 0.58 -0.32 -0.19 0.00 -0.73 0.00 0.00 57.03 56.37 1r4b h ASP 103 Cb 0.92 -0.15 0.01 0.00 -0.83 0.00 0.00 39.33 39.28 1r4b h ASP 103 CO -0.39 1.04 -0.62 0.40 -1.03 0.00 0.00 179.24 178.64 1r4b h ILE 104 N 0.33 1.30 -0.86 4.15 1.08 -1.69 -2.90 117.51 118.92 1r4b h ILE 104 Ca -0.02 -1.85 0.11 0.00 -0.39 0.00 0.00 64.86 62.71 1r4b h ILE 104 Cb 1.22 1.93 -0.08 0.00 -3.07 0.00 0.00 36.82 36.83 1r4b h ILE 104 CO 0.12 0.58 0.49 0.25 -0.69 0.00 0.00 178.15 178.90 1r4b h LEU 105 N 0.45 0.70 -0.57 1.44 5.85 -0.92 0.49 115.31 122.75 1r4b h LEU 105 Ca -0.03 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1r4b h LEU 105 Cb 1.25 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 1r4b h LEU 105 CO 0.13 0.38 0.18 -0.61 -0.34 0.00 0.00 178.44 178.19 1r4b h GLN 106 N 0.80 0.88 -0.40 1.25 5.75 -1.26 -0.24 115.11 121.89 1r4b h GLN 106 Ca 0.42 -0.19 -0.05 0.00 -0.15 0.00 0.00 58.65 58.68 1r4b h GLN 106 Cb 0.42 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.83 1r4b h GLN 106 CO -0.27 0.79 0.04 0.87 -2.65 0.00 0.00 178.83 177.62 1r4b h LYS 107 N 0.80 0.68 -0.52 1.69 1.57 -1.16 -2.15 116.57 117.48 1r4b h LYS 107 Ca 0.18 -0.20 0.07 0.00 -1.87 0.00 0.00 60.65 58.84 1r4b h LYS 107 Cb 0.27 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.45 1r4b h LYS 107 CO -0.01 0.75 0.19 0.28 -0.57 0.00 0.00 179.45 180.09 1r4b h VAL 108 N 0.53 0.82 -0.94 0.50 2.07 -0.69 -0.51 116.25 118.03 1r4b h VAL 108 Ca 0.12 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1r4b h VAL 108 Cb 0.41 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 1r4b h VAL 108 CO 0.01 0.07 0.56 0.11 0.02 0.00 0.00 177.57 178.34 1r4b h LYS 109 N 0.37 1.28 -0.32 1.57 1.57 -0.78 -0.05 116.57 120.21 1r4b h LYS 109 Ca 0.25 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.82 1r4b h LYS 109 Cb 0.27 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1r4b h LYS 109 CO -0.25 0.90 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.31 1r4b h LEU 110 N 1.30 0.69 -0.36 2.94 3.38 -0.99 -0.80 115.31 121.46 1r4b h LEU 110 Ca 0.34 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1r4b h LEU 110 Cb -0.04 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1r4b h LEU 110 CO -0.06 0.94 0.17 0.40 0.09 0.00 0.00 178.44 179.98 1r4b h ILE 111 N 0.44 1.17 -0.61 1.22 2.04 -0.92 0.27 117.51 121.11 1r4b h ILE 111 Ca 0.07 -0.47 0.04 0.00 1.00 0.00 0.00 64.86 65.50 1r4b h ILE 111 Cb 0.67 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 1r4b h ILE 111 CO 0.05 0.18 0.35 0.44 0.00 0.00 0.00 178.15 179.16 1r4b h ASP 112 N 0.44 0.55 -0.07 1.72 3.32 -0.91 -1.58 116.42 119.88 1r4b h ASP 112 Ca 0.12 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 1r4b h ASP 112 Cb 0.12 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1r4b h ASP 112 CO -0.02 0.37 -0.11 1.56 -1.72 0.00 0.00 179.24 179.32 1r4b h GLN 113 N 0.68 0.37 0.00 3.56 4.20 -0.87 -2.72 115.11 120.33 1r4b h GLN 113 Ca 0.26 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 1r4b h GLN 113 Cb 0.10 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 1r4b h GLN 113 CO -0.14 0.49 -0.06 0.66 -0.67 0.00 0.00 178.83 179.11 1r4b h SER 114 N 0.35 0.00 0.45 1.46 4.64 0.10 -1.72 113.55 118.82 1r4b h SER 114 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1r4b h SER 114 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1r4b h SER 114 CO 0.02 0.06 0.00 0.49 -0.87 0.00 0.00 176.83 176.53 1r4b n PHE 115 N -4.29 0.01 0.26 4.77 3.72 -1.02 -1.10 117.46 119.81 1r4b n PHE 115 Ca -0.03 0.01 0.11 0.00 -0.05 0.00 0.00 57.45 57.49 1r4b n PHE 115 Cb 0.14 -0.51 0.71 0.00 -0.94 0.00 0.00 39.48 38.89 1r4b n PHE 115 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1r4b h SER 116 N 0.00 0.00 0.14 4.37 0.02 -1.47 -3.06 113.55 113.55 1r4b h SER 116 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1r4b h SER 116 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1r4b h SER 116 CO 0.00 0.08 -1.02 0.29 -1.14 0.00 0.00 176.83 175.04 1r4b n LYS 117 N -4.01 0.11 -4.05 3.45 5.02 -0.26 -4.90 118.16 113.51 1r4b n LYS 117 Ca -0.02 -0.02 -0.32 0.00 -2.02 0.00 0.00 58.31 55.93 1r4b n LYS 117 Cb 0.17 -1.52 -0.15 0.00 -0.02 0.00 0.00 35.03 33.52 1r4b n LYS 117 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1r4b s MET 118 N -3.08 1.93 0.02 1.97 -1.94 -1.16 -4.64 119.30 112.41 1r4b s MET 118 Ca 0.06 -1.54 0.04 0.00 -1.71 0.00 0.00 55.69 52.54 1r4b s MET 118 Cb 0.16 -3.00 -0.02 0.00 2.01 0.00 0.00 34.83 33.98 1r4b s MET 118 CO 0.84 -0.71 -0.12 0.15 -0.01 0.00 0.00 175.02 175.16 1r4b s LYS 119 N 1.03 0.85 0.19 2.03 -0.14 -1.19 -1.43 119.74 121.09 1r4b s LYS 119 Ca -0.01 -0.63 -0.31 0.00 -1.36 0.00 0.00 55.97 53.66 1r4b s LYS 119 Cb -0.20 -0.83 -0.09 0.00 -1.68 0.00 0.00 37.83 35.04 1r4b s LYS 119 CO -0.06 0.21 1.44 -1.64 -0.76 0.00 0.00 175.35 174.54 1r4b s MET 120 N -0.91 4.29 0.09 1.68 -1.94 0.12 -4.87 119.30 117.77 1r4b s MET 120 Ca 0.01 2.22 0.26 0.00 -1.71 0.00 0.00 55.69 56.47 1r4b s MET 120 Cb -0.07 -3.17 0.67 0.00 2.01 0.00 0.00 34.83 34.27 1r4b s MET 120 CO 0.01 -0.45 1.57 -0.35 -0.01 0.00 0.00 175.02 175.79 1r4b n PRO 121 N 3.19 0.17 -3.73 2.03 -0.04 -1.26 -0.71 135.00 134.65 1r4b n PRO 121 Ca 0.10 0.08 -0.09 0.00 -0.04 0.00 0.00 63.50 63.55 1r4b n PRO 121 Cb 0.41 -1.64 -0.03 0.00 -0.04 0.00 0.00 33.50 32.20 1r4b n PRO 121 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1r4b s GLN 122 N -3.08 1.53 0.16 0.54 -2.07 -1.26 -4.84 119.66 110.63 1r4b s GLN 122 Ca 0.10 -0.85 -0.32 0.00 -1.82 0.00 0.00 55.36 52.47 1r4b s GLN 122 Cb 0.15 0.57 -0.10 0.00 -1.09 0.00 0.00 33.01 32.54 1r4b s GLN 122 CO 0.65 -0.67 1.58 -0.80 -1.32 0.00 0.00 175.29 174.72 1r4b s ASN 123 N -2.87 6.58 0.03 12.60 0.01 -1.26 -3.53 114.94 126.50 1r4b s ASN 123 Ca 0.09 2.62 -0.06 0.00 -0.71 0.00 0.00 52.86 54.80 1r4b s ASN 123 Cb -0.03 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 39.03 1r4b s ASN 123 CO -0.00 -0.83 0.11 -0.51 -1.51 0.00 0.00 177.10 174.36 1r4b s ILE 124 N 1.21 0.12 -0.17 0.60 2.07 0.36 -1.19 121.20 124.21 1r4b s ILE 124 Ca 0.70 -0.98 -0.07 0.00 -1.41 0.00 0.00 60.65 58.89 1r4b s ILE 124 Cb -0.44 -0.79 -0.04 0.00 0.13 0.00 0.00 42.46 41.32 1r4b s ILE 124 CO 0.31 -0.54 0.06 -0.63 -1.91 0.00 0.00 174.94 172.23 1r4b s ILE 125 N -2.34 4.81 0.20 2.00 1.01 -0.10 -1.15 121.20 125.63 1r4b s ILE 125 Ca -0.07 -0.03 0.07 0.00 0.00 0.00 0.00 60.65 60.62 1r4b s ILE 125 Cb -0.03 -3.15 -0.05 0.00 0.01 0.00 0.00 42.46 39.25 1r4b s ILE 125 CO -0.03 0.49 -0.13 -0.76 0.00 0.00 0.00 174.94 174.51 1r4b s LEU 126 N 0.12 2.53 0.07 2.97 1.43 -0.30 -4.75 118.68 120.76 1r4b s LEU 126 Ca 0.05 -1.04 0.06 0.00 -1.03 0.00 0.00 54.13 52.17 1r4b s LEU 126 Cb -0.12 -0.60 -0.03 0.00 0.03 0.00 0.00 46.19 45.47 1r4b s LEU 126 CO 0.01 -0.22 -0.16 -0.36 0.23 0.00 0.00 176.35 175.85 1r4b s PHE 127 N -3.06 1.35 -0.03 0.29 0.08 -0.12 -0.08 117.98 116.41 1r4b s PHE 127 Ca 0.22 -0.43 -0.03 0.00 0.12 0.00 0.00 56.93 56.81 1r4b s PHE 127 Cb 0.00 -0.76 0.01 0.00 -0.57 0.00 0.00 43.02 41.70 1r4b s PHE 127 CO 0.06 0.08 0.08 0.50 -0.10 0.00 0.00 175.22 175.85 1r4b s ARG 128 N -1.67 0.09 0.01 0.44 3.52 -0.44 -0.34 118.95 120.56 1r4b s ARG 128 Ca 0.00 0.13 -0.01 0.00 -0.13 0.00 0.00 55.73 55.73 1r4b s ARG 128 Cb -0.10 0.02 -0.04 0.00 -1.56 0.00 0.00 34.95 33.28 1r4b s ARG 128 CO 0.02 -0.03 0.15 0.20 -0.81 0.00 0.00 175.30 174.84 1r4b s GLY 129 N 0.14 2.12 0.07 8.12 0.00 -1.26 -0.97 107.32 115.53 1r4b s GLY 129 Ca -0.01 -0.83 -0.01 0.00 0.00 0.00 0.00 44.72 43.87 1r4b s GLY 129 CO -0.00 -0.74 -0.00 0.99 0.00 0.00 0.00 173.10 173.34 1r4b s ASP 130 N -2.03 0.44 0.51 1.64 1.01 0.74 -4.99 116.67 113.99 1r4b s ASP 130 Ca 0.28 -1.02 0.03 0.00 0.71 0.00 0.00 52.55 52.54 1r4b s ASP 130 Cb -0.12 0.22 0.03 0.00 1.01 0.00 0.00 42.92 44.06 1r4b s ASP 130 CO 0.19 -0.63 0.72 -1.81 0.21 0.00 0.00 175.17 173.85 1r4b s ASP 131 N -2.94 5.40 0.61 0.27 1.01 -1.26 -2.11 116.67 117.65 1r4b s ASP 131 Ca 0.10 -0.10 0.31 0.00 0.71 0.00 0.00 52.55 53.57 1r4b s ASP 131 Cb 0.08 -0.85 1.71 0.00 1.01 0.00 0.00 42.92 44.87 1r4b s ASP 131 CO -0.08 -1.02 2.07 -0.65 0.21 0.00 0.00 175.17 175.69 1r4b h PRO 132 N 0.23 0.00 -0.14 8.23 0.11 -1.96 -1.76 132.00 136.72 1r4b h PRO 132 Ca -0.42 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.73 1r4b h PRO 132 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 1r4b h PRO 132 CO 0.51 0.00 0.14 0.00 -0.21 0.00 0.00 178.00 178.43 1r4b h ALA 133 N 1.66 1.81 -0.50 -0.75 0.00 -1.89 -1.47 119.26 118.12 1r4b h ALA 133 Ca 0.08 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.10 1r4b h ALA 133 Cb 0.57 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1r4b h ALA 133 CO -0.00 -0.21 0.35 -0.92 0.00 0.00 0.00 179.25 178.47 1r4b h TYR 134 N 0.00 0.16 0.00 0.00 3.20 -1.71 -1.41 116.97 117.20 1r4b h TYR 134 Ca 0.07 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1r4b h TYR 134 Cb 0.34 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1r4b h TYR 134 CO 0.00 0.07 -0.04 1.28 -1.64 0.00 0.00 178.16 177.83 1r4b n LEU 135 N -4.43 0.43 0.00 2.82 4.77 -0.55 -5.02 117.00 115.02 1r4b n LEU 135 Ca 0.09 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 1r4b n LEU 135 Cb 0.48 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1r4b n LEU 135 CO 0.35 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1r4b n GLY 136 N 1.40 1.81 0.24 -0.72 0.00 -0.53 -4.64 105.19 102.75 1r4b n GLY 136 Ca 0.06 -1.99 0.11 0.00 0.00 0.00 0.00 46.02 44.21 1r4b n GLY 136 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r4b h PRO 137 N 0.00 0.00 -0.00 1.61 0.13 -1.93 0.10 132.00 131.92 1r4b h PRO 137 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1r4b h PRO 137 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1r4b h PRO 137 CO 0.00 0.18 -0.03 -0.85 -0.23 0.00 0.00 178.00 177.07 1r4b n GLU 138 N -3.49 0.03 0.00 0.86 0.00 -1.26 -3.90 120.64 112.87 1r4b n GLU 138 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 1r4b n GLU 138 Cb 0.34 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.28 1r4b n GLU 138 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1r4b n PHE 139 N -1.49 0.00 -0.33 -1.84 3.72 -0.64 -4.77 117.46 112.11 1r4b n PHE 139 Ca 0.07 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.66 1r4b n PHE 139 Cb 0.33 0.00 0.35 0.00 -0.94 0.00 0.00 39.48 39.23 1r4b n PHE 139 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1r4b n GLN 140 N -1.82 -0.07 -0.07 -1.08 6.02 0.27 -1.14 117.38 119.48 1r4b n GLN 140 Ca 0.00 1.44 0.10 0.00 -0.01 0.00 0.00 57.00 58.53 1r4b n GLN 140 Cb 0.37 -2.35 0.13 0.00 1.02 0.00 0.00 30.24 29.41 1r4b n GLN 140 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1r4b n ASP 141 N -5.40 2.94 -0.00 1.08 8.00 -1.26 -4.35 116.55 117.55 1r4b n ASP 141 Ca 0.26 -1.89 0.01 0.00 0.71 0.00 0.00 54.79 53.88 1r4b n ASP 141 Cb 0.87 -0.09 -0.01 0.00 -0.02 0.00 0.00 41.12 41.87 1r4b n ASP 141 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1r4b n LYS 142 N 1.22 1.78 0.17 -1.24 5.02 -0.30 -4.75 118.16 120.06 1r4b n LYS 142 Ca 0.14 -0.01 0.02 0.00 -2.02 0.00 0.00 58.31 56.44 1r4b n LYS 142 Cb 0.53 -0.92 0.31 0.00 -0.02 0.00 0.00 35.03 34.93 1r4b n LYS 142 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 1r4b h ILE 143 N 0.00 1.27 -3.30 -0.18 6.09 -1.44 -3.42 117.51 116.52 1r4b h ILE 143 Ca 0.00 -1.51 -0.61 0.00 -1.37 0.00 0.00 64.86 61.37 1r4b h ILE 143 Cb 0.08 1.82 -0.15 0.00 0.47 0.00 0.00 36.82 39.05 1r4b h ILE 143 CO 0.00 0.43 -0.54 -0.76 -3.07 0.00 0.00 178.15 174.21 1r4b s LEU 144 N -7.92 3.95 1.04 2.19 1.43 -1.26 -0.28 118.68 117.83 1r4b s LEU 144 Ca -0.02 0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 53.08 1r4b s LEU 144 Cb 0.14 -2.01 0.21 0.00 0.03 0.00 0.00 46.19 44.56 1r4b s LEU 144 CO 0.73 0.17 1.08 0.20 0.23 0.00 0.00 176.35 178.75 1r4b s ASN 145 N 0.42 2.23 0.42 2.29 0.01 0.86 -4.84 114.94 116.34 1r4b s ASN 145 Ca 0.05 1.31 0.11 0.00 -0.71 0.00 0.00 52.86 53.62 1r4b s ASN 145 Cb -0.12 -2.01 0.95 0.00 0.41 0.00 0.00 41.25 40.48 1r4b s ASN 145 CO -0.00 -3.40 2.01 0.50 -1.51 0.00 0.00 177.10 174.70 1r4b h LYS 146 N -2.07 0.47 -0.39 -0.60 1.63 -1.99 -1.78 116.57 111.84 1r4b h LYS 146 Ca -0.56 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.21 1r4b h LYS 146 Cb 1.33 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.85 1r4b h LYS 146 CO 0.55 0.31 0.00 -0.40 -3.45 0.00 0.00 179.45 176.46 1r4b n ASP 147 N -4.47 1.81 0.00 4.20 5.68 -1.26 -4.89 116.55 117.62 1r4b n ASP 147 Ca 0.07 -2.07 0.00 0.00 -0.50 0.00 0.00 54.79 52.30 1r4b n ASP 147 Cb 0.24 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 1r4b n ASP 147 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1r4b n GLY 148 N 0.84 1.43 3.86 6.12 0.00 -0.67 -5.03 105.19 111.74 1r4b n GLY 148 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1r4b n GLY 148 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r4b s THR 149 N -2.78 4.64 0.01 2.61 -4.23 -1.26 -4.65 115.64 109.99 1r4b s THR 149 Ca 0.00 1.01 -0.30 0.00 -1.18 0.00 0.00 61.69 61.22 1r4b s THR 149 Cb 0.00 -3.80 -0.04 0.00 1.34 0.00 0.00 72.50 70.00 1r4b s THR 149 CO 0.00 -0.94 1.08 -0.63 -0.54 0.00 0.00 174.62 173.59 1r4b s ILE 150 N -2.93 4.50 -0.34 2.99 -1.09 -0.23 -0.10 121.20 124.00 1r4b s ILE 150 Ca 0.57 1.79 -0.29 0.00 -2.23 0.00 0.00 60.65 60.49 1r4b s ILE 150 Cb -0.11 -4.15 -0.01 0.00 -1.58 0.00 0.00 42.46 36.62 1r4b s ILE 150 CO 0.44 0.12 1.62 0.21 -1.23 0.00 0.00 174.94 176.10 1r4b s ASN 151 N 1.07 6.15 0.34 3.58 3.84 0.61 -4.81 114.94 125.72 1r4b s ASN 151 Ca 0.55 1.19 0.03 0.00 0.21 0.00 0.00 52.86 54.83 1r4b s ASN 151 Cb -0.24 -2.53 0.60 0.00 -0.55 0.00 0.00 41.25 38.53 1r4b s ASN 151 CO 0.27 -1.52 1.94 0.11 -2.79 0.00 0.00 177.10 175.12 1r4b h LYS 152 N 11.64 0.71 -0.22 0.43 1.57 -1.93 -1.02 116.57 127.74 1r4b h LYS 152 Ca -0.31 -0.09 -0.11 0.00 -1.87 0.00 0.00 60.65 58.26 1r4b h LYS 152 Cb 1.14 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.31 1r4b h LYS 152 CO 1.04 0.57 -0.31 1.15 -0.57 0.00 0.00 179.45 181.33 1r4b h THR 153 N 0.71 1.32 -0.05 -0.16 2.02 -1.98 -2.99 112.91 111.78 1r4b h THR 153 Ca 0.18 -1.51 -0.09 0.00 0.77 0.00 0.00 66.41 65.75 1r4b h THR 153 Cb 0.11 1.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 1r4b h THR 153 CO -0.02 0.47 -0.40 0.58 0.37 0.00 0.00 175.52 176.52 1r4b h VAL 154 N 0.29 1.30 -0.13 3.16 2.07 -1.87 -2.58 116.25 118.49 1r4b h VAL 154 Ca 0.02 -1.45 -0.00 0.00 0.82 0.00 0.00 66.70 66.09 1r4b h VAL 154 Cb 0.89 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1r4b h VAL 154 CO 0.07 0.42 0.07 0.15 0.02 0.00 0.00 177.57 178.30 1r4b h PHE 155 N 0.10 0.17 -0.41 1.57 3.57 -1.09 -0.77 116.94 120.09 1r4b h PHE 155 Ca 0.01 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 1r4b h PHE 155 Cb 0.76 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 1r4b h PHE 155 CO 0.01 0.13 -0.00 0.93 -2.23 0.00 0.00 178.31 177.15 1r4b h GLU 156 N 0.18 0.65 -0.10 1.11 4.39 -1.31 -0.37 114.58 119.14 1r4b h GLU 156 Ca 0.05 -0.16 -0.15 0.00 0.34 0.00 0.00 59.36 59.44 1r4b h GLU 156 Cb 0.02 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1r4b h GLU 156 CO -0.01 0.67 -0.61 1.96 -1.16 0.00 0.00 179.01 179.87 1r4b h GLN 157 N 0.62 0.33 -0.28 2.33 7.50 -1.23 -2.20 115.11 122.18 1r4b h GLN 157 Ca 0.13 -0.23 -0.02 0.00 0.50 0.00 0.00 58.65 59.03 1r4b h GLN 157 Cb 0.39 0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.94 1r4b h GLN 157 CO 0.01 0.84 0.11 0.28 -1.50 0.00 0.00 178.83 178.57 1r4b h VAL 158 N 0.25 1.18 -0.82 -0.54 2.07 -0.81 -1.98 116.25 115.60 1r4b h VAL 158 Ca -0.01 -0.56 0.08 0.00 0.82 0.00 0.00 66.70 67.04 1r4b h VAL 158 Cb 1.13 1.02 -0.07 0.00 -1.52 0.00 0.00 31.29 31.85 1r4b h VAL 158 CO 0.10 0.19 0.48 0.11 0.02 0.00 0.00 177.57 178.47 1r4b h LYS 159 N 0.31 0.81 -0.67 1.57 1.57 -1.01 -1.33 116.57 117.81 1r4b h LYS 159 Ca 0.09 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1r4b h LYS 159 Cb 0.19 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1r4b h LYS 159 CO -0.01 0.53 0.34 0.00 -0.57 0.00 0.00 179.45 179.75 1r4b h ALA 160 N 1.43 1.35 -0.11 3.86 0.00 -1.02 0.11 119.26 124.89 1r4b h ALA 160 Ca 0.38 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.97 1r4b h ALA 160 Cb 0.30 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1r4b h ALA 160 CO -0.22 0.52 -0.76 -0.22 0.00 0.00 0.00 179.25 178.57 1r4b h LYS 161 N 0.94 0.57 0.00 0.00 3.64 -0.72 -3.41 116.57 117.59 1r4b h LYS 161 Ca 0.24 -0.47 -0.04 0.00 -1.27 0.00 0.00 60.65 59.11 1r4b h LYS 161 Cb 0.06 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1r4b h LYS 161 CO -0.03 1.09 -1.17 1.19 -2.27 0.00 0.00 179.45 178.26 1r4b n PHE 162 N -3.88 0.00 -2.29 1.91 3.72 -0.56 -4.90 117.46 111.46 1r4b n PHE 162 Ca -0.06 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.93 1r4b n PHE 162 Cb 0.73 -0.12 -0.03 0.00 -0.94 0.00 0.00 39.48 39.12 1r4b n PHE 162 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1r4b s LEU 163 N -3.98 4.41 -1.52 4.37 2.96 0.37 -2.52 118.68 122.77 1r4b s LEU 163 Ca -0.01 2.27 -0.05 0.00 -0.22 0.00 0.00 54.13 56.12 1r4b s LEU 163 Cb 0.01 -3.60 0.02 0.00 0.50 0.00 0.00 46.19 43.12 1r4b s LEU 163 CO 0.11 -0.50 0.55 0.29 -1.32 0.00 0.00 176.35 175.48 1r4b n LYS 164 N 3.09 -4.44 -4.32 1.98 5.02 0.32 -4.94 118.16 114.87 1r4b n LYS 164 Ca 0.07 0.84 -0.17 0.00 -2.02 0.00 0.00 58.31 57.03 1r4b n LYS 164 Cb 0.44 -5.66 -0.10 0.00 -0.02 0.00 0.00 35.03 29.68 1r4b n LYS 164 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1r4b s LYS 165 N -5.71 1.34 0.33 1.97 -0.14 -1.05 -4.93 119.74 111.56 1r4b s LYS 165 Ca 0.30 -1.69 -0.03 0.00 -1.36 0.00 0.00 55.97 53.19 1r4b s LYS 165 Cb -0.14 -0.52 -0.04 0.00 -1.68 0.00 0.00 37.83 35.46 1r4b s LYS 165 CO 0.37 -0.15 0.57 -0.51 -0.76 0.00 0.00 175.35 174.87 1r4b s ASP 166 N -3.30 6.36 -0.00 2.83 1.01 -1.26 -1.53 116.67 120.77 1r4b s ASP 166 Ca 0.30 0.62 -0.04 0.00 0.71 0.00 0.00 52.55 54.13 1r4b s ASP 166 Cb 0.06 -2.10 -0.00 0.00 1.01 0.00 0.00 42.92 41.89 1r4b s ASP 166 CO 0.10 -0.28 0.09 -0.60 0.21 0.00 0.00 175.17 174.69 1r4b s ARG 167 N -4.00 0.34 -0.01 8.23 3.52 0.38 -4.95 118.95 122.46 1r4b s ARG 167 Ca 0.42 -0.30 0.04 0.00 -0.13 0.00 0.00 55.73 55.76 1r4b s ARG 167 Cb -0.10 0.14 -0.01 0.00 -1.56 0.00 0.00 34.95 33.42 1r4b s ARG 167 CO 0.34 -0.07 -0.12 0.99 -0.81 0.00 0.00 175.30 175.63 1r4b s THR 168 N -1.01 0.92 0.11 4.11 2.01 -1.26 -1.04 115.64 119.48 1r4b s THR 168 Ca -0.11 -0.50 0.08 0.00 0.31 0.00 0.00 61.69 61.47 1r4b s THR 168 Cb -0.06 -0.78 -0.04 0.00 0.01 0.00 0.00 72.50 71.63 1r4b s THR 168 CO 0.01 0.26 -0.12 -1.61 -0.69 0.00 0.00 174.62 172.47 1r4b s GLU 169 N -0.24 2.04 0.20 4.92 2.02 -1.25 -4.96 118.70 121.43 1r4b s GLU 169 Ca 0.04 -1.08 0.11 0.00 0.02 0.00 0.00 54.97 54.06 1r4b s GLU 169 Cb -0.05 -2.25 -0.04 0.00 0.10 0.00 0.00 34.13 31.89 1r4b s GLU 169 CO -0.00 0.50 1.38 1.88 0.02 0.00 0.00 175.26 179.03 1r4b h TYR 170 N 3.58 0.00 -3.79 1.61 0.05 -1.95 -1.66 116.97 114.81 1r4b h TYR 170 Ca -0.49 0.00 -0.48 0.00 0.05 0.00 0.00 58.73 57.81 1r4b h TYR 170 Cb 1.17 0.00 0.06 0.00 1.01 0.00 0.00 36.73 38.97 1r4b h TYR 170 CO 0.61 0.78 0.21 0.20 -1.05 0.00 0.00 178.16 178.91 1r4b s GLY 171 N -4.59 1.61 0.76 3.88 0.00 -1.26 -3.95 107.32 103.76 1r4b s GLY 171 Ca 0.02 -0.64 -0.13 0.00 0.00 0.00 0.00 44.72 43.97 1r4b s GLY 171 CO 0.78 -0.35 1.14 -0.19 0.00 0.00 0.00 173.10 174.49 1r4b s TYR 172 N -3.05 2.26 -0.25 1.90 2.02 -1.26 -4.08 117.35 114.89 1r4b s TYR 172 Ca 0.55 1.61 -0.07 0.00 -0.37 0.00 0.00 57.07 58.79 1r4b s TYR 172 Cb -0.11 -3.25 -0.02 0.00 -0.40 0.00 0.00 41.96 38.18 1r4b s TYR 172 CO 0.46 -2.18 0.06 0.42 -1.57 0.00 0.00 175.55 172.74 1r4b s ILE 173 N -2.45 4.16 -0.20 2.71 1.01 -0.84 -4.93 121.20 120.66 1r4b s ILE 173 Ca 0.67 -0.26 -0.17 0.00 0.00 0.00 0.00 60.65 60.89 1r4b s ILE 173 Cb -0.22 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 1r4b s ILE 173 CO 0.49 0.32 0.45 -0.44 0.00 0.00 0.00 174.94 175.77 1r4b s SER 174 N 1.59 6.48 0.37 3.58 0.01 -1.26 -0.98 113.70 123.49 1r4b s SER 174 Ca 0.06 0.57 0.04 0.00 1.31 0.00 0.00 55.95 57.93 1r4b s SER 174 Cb -0.15 -2.26 -0.05 0.00 0.21 0.00 0.00 66.02 63.77 1r4b s SER 174 CO 0.03 -0.13 0.07 0.42 0.41 0.00 0.00 173.24 174.04 1r4b s THR 175 N 1.49 1.02 0.16 1.44 -4.23 -0.54 -4.77 115.64 110.21 1r4b s THR 175 Ca 0.21 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.82 1r4b s THR 175 Cb -0.15 -2.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.04 1r4b s THR 175 CO 0.09 0.00 -0.23 -0.55 -0.54 0.00 0.00 174.62 173.39 1r4b s SER 176 N -3.56 3.07 0.61 3.99 0.15 0.54 -1.05 113.70 117.44 1r4b s SER 176 Ca 0.30 -0.81 0.40 0.00 0.70 0.00 0.00 55.95 56.54 1r4b s SER 176 Cb 0.06 -0.20 2.00 0.00 -1.71 0.00 0.00 66.02 66.17 1r4b s SER 176 CO 0.14 0.08 2.21 -0.07 1.20 0.00 0.00 173.24 176.81 1r4b h LEU 177 N 3.51 0.00 -8.80 3.45 3.38 -1.65 -0.28 115.31 114.92 1r4b h LEU 177 Ca -0.46 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 56.97 1r4b h LEU 177 Cb 1.19 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.75 1r4b h LEU 177 CO 0.45 0.00 -0.80 -0.04 0.09 0.00 0.00 178.44 178.15 1r4b s MET 178 N -3.95 1.25 0.01 1.13 -1.94 -1.26 -4.35 119.30 110.19 1r4b s MET 178 Ca -0.03 -1.34 0.22 0.00 -1.71 0.00 0.00 55.69 52.83 1r4b s MET 178 Cb 0.11 -1.38 -0.23 0.00 2.01 0.00 0.00 34.83 35.34 1r4b s MET 178 CO 0.45 0.29 0.69 -1.13 -0.01 0.00 0.00 175.02 175.31 1r4b n SER 179 N 0.52 0.35 -0.31 3.03 3.41 -1.26 -4.58 113.62 114.78 1r4b n SER 179 Ca -0.15 -0.19 0.13 0.00 -0.26 0.00 0.00 58.87 58.40 1r4b n SER 179 Cb 0.56 1.50 0.30 0.00 -0.26 0.00 0.00 64.21 66.32 1r4b n SER 179 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r4b h ALA 180 N 2.27 1.46 0.00 7.33 0.00 -1.98 0.46 119.26 128.80 1r4b h ALA 180 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1r4b h ALA 180 Cb 0.87 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1r4b h ALA 180 CO 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 179.25 178.96 1r4b n GLN 181 N -4.99 0.01 -0.30 0.00 0.00 -1.26 -2.24 117.38 108.61 1r4b n GLN 181 Ca 0.22 0.28 0.09 0.00 0.00 0.00 0.00 57.00 57.59 1r4b n GLN 181 Cb 0.63 -1.53 0.25 0.00 0.00 0.00 0.00 30.24 29.59 1r4b n GLN 181 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1r4b n PHE 182 N -1.55 0.78 0.22 2.61 3.72 0.15 -4.67 117.46 118.72 1r4b n PHE 182 Ca 0.03 -0.51 0.15 0.00 -0.05 0.00 0.00 57.45 57.07 1r4b n PHE 182 Cb 0.16 -0.03 0.80 0.00 -0.94 0.00 0.00 39.48 39.48 1r4b n PHE 182 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1r4b h GLY 183 N 3.24 0.00 -2.14 1.37 0.00 -1.53 -1.69 103.07 102.31 1r4b h GLY 183 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1r4b h GLY 183 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.17 1r4b n GLY 184 N -1.43 3.18 3.84 4.60 0.00 -1.26 -4.99 105.19 109.13 1r4b n GLY 184 Ca 0.00 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 1r4b n GLY 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r4b s ARG 185 N -1.97 4.08 0.40 1.61 1.81 -0.64 -4.98 118.95 119.26 1r4b s ARG 185 Ca 0.41 0.78 0.19 0.00 -1.72 0.00 0.00 55.73 55.38 1r4b s ARG 185 Cb 0.28 -2.47 0.83 0.00 -0.45 0.00 0.00 34.95 33.15 1r4b s ARG 185 CO 0.17 0.17 1.82 -1.35 -0.68 0.00 0.00 175.30 175.43 1r4b h PRO 186 N 2.39 0.00 -4.45 3.54 0.11 -1.83 -3.43 132.00 128.34 1r4b h PRO 186 Ca -0.48 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.14 1r4b h PRO 186 Cb 1.18 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 31.95 1r4b h PRO 186 CO 0.65 0.33 -0.81 0.42 -0.21 0.00 0.00 178.00 178.38 1r4b s ILE 187 N -3.86 1.01 -0.08 4.15 1.01 -0.90 -0.16 121.20 122.36 1r4b s ILE 187 Ca -0.01 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.26 1r4b s ILE 187 Cb 0.12 -0.93 0.01 0.00 0.01 0.00 0.00 42.46 41.67 1r4b s ILE 187 CO 0.68 0.33 -0.15 -0.69 0.00 0.00 0.00 174.94 175.10 1r4b s VAL 188 N 0.69 1.40 -0.14 2.92 1.01 -0.12 -0.19 120.40 125.98 1r4b s VAL 188 Ca -0.14 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 1r4b s VAL 188 Cb -0.15 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1r4b s VAL 188 CO 0.03 0.42 -0.05 -0.89 0.00 0.00 0.00 175.10 174.60 1r4b s THR 189 N 0.66 3.77 -0.28 3.92 2.01 -0.15 -0.83 115.64 124.74 1r4b s THR 189 Ca -0.14 -0.41 -0.09 0.00 0.31 0.00 0.00 61.69 61.36 1r4b s THR 189 Cb -0.16 -2.62 -0.02 0.00 0.01 0.00 0.00 72.50 69.70 1r4b s THR 189 CO 0.04 0.52 0.13 -0.75 -0.69 0.00 0.00 174.62 173.87 1r4b s LYS 190 N 0.12 3.55 -0.20 4.92 2.20 0.60 -1.32 119.74 129.60 1r4b s LYS 190 Ca -0.02 -0.57 -0.12 0.00 -0.36 0.00 0.00 55.97 54.91 1r4b s LYS 190 Cb -0.14 -3.50 -0.05 0.00 -1.51 0.00 0.00 37.83 32.64 1r4b s LYS 190 CO 0.03 -0.30 0.21 -0.06 -0.36 0.00 0.00 175.35 174.87 1r4b s PHE 191 N 1.64 3.39 -0.38 4.03 0.08 0.88 -0.91 117.98 126.70 1r4b s PHE 191 Ca 0.06 0.40 -0.15 0.00 0.12 0.00 0.00 56.93 57.36 1r4b s PHE 191 Cb -0.16 -2.28 0.01 0.00 -0.57 0.00 0.00 43.02 40.01 1r4b s PHE 191 CO 0.06 0.17 0.30 0.15 -0.10 0.00 0.00 175.22 175.80 1r4b s LYS 192 N 0.72 3.19 -0.15 0.44 1.02 0.94 -1.15 119.74 124.75 1r4b s LYS 192 Ca 0.11 -0.84 0.00 0.00 0.02 0.00 0.00 55.97 55.26 1r4b s LYS 192 Cb -0.13 -3.91 -0.01 0.00 -0.52 0.00 0.00 37.83 33.26 1r4b s LYS 192 CO 0.03 -0.65 -0.14 0.08 -0.92 0.00 0.00 175.35 173.75 1r4b s VAL 193 N 1.75 2.82 0.41 3.17 1.01 -0.30 -1.03 120.40 128.24 1r4b s VAL 193 Ca 0.06 -0.73 -0.20 0.00 0.00 0.00 0.00 61.98 61.11 1r4b s VAL 193 Cb -0.18 -2.19 -0.11 0.00 0.00 0.00 0.00 36.38 33.90 1r4b s VAL 193 CO 0.11 0.52 0.92 0.42 0.00 0.00 0.00 175.10 177.07 1r4b s THR 194 N 0.64 4.42 0.03 3.92 -4.23 -0.76 -0.49 115.64 119.17 1r4b s THR 194 Ca -0.08 1.44 -0.38 0.00 -1.18 0.00 0.00 61.69 61.49 1r4b s THR 194 Cb -0.16 -3.62 -0.19 0.00 1.34 0.00 0.00 72.50 69.87 1r4b s THR 194 CO 0.03 -0.28 0.97 -3.20 -0.54 0.00 0.00 174.62 171.59 1r4b n ASN 195 N -0.56 -0.22 0.00 3.99 5.15 -1.23 -1.97 115.26 120.42 1r4b n ASN 195 Ca 0.06 1.15 0.00 0.00 -0.60 0.00 0.00 54.58 55.20 1r4b n ASN 195 Cb 0.54 -0.92 0.00 0.00 -0.53 0.00 0.00 39.78 38.86 1r4b n ASN 195 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1r4b n GLY 196 N 1.58 1.04 3.78 8.20 0.00 0.11 -4.94 105.19 114.97 1r4b n GLY 196 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 1r4b n GLY 196 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r4b s SER 197 N -1.82 6.37 0.31 1.61 0.01 -0.83 -4.64 113.70 114.71 1r4b s SER 197 Ca 0.00 2.09 -0.29 0.00 1.31 0.00 0.00 55.95 59.06 1r4b s SER 197 Cb 0.00 -2.58 -0.10 0.00 0.21 0.00 0.00 66.02 63.55 1r4b s SER 197 CO 0.00 -0.77 1.25 -0.54 0.41 0.00 0.00 173.24 173.60 1r4b s LYS 198 N -2.86 4.43 0.00 12.44 1.02 -1.26 -0.70 119.74 132.82 1r4b s LYS 198 Ca 0.64 2.10 0.00 0.00 0.02 0.00 0.00 55.97 58.73 1r4b s LYS 198 Cb -0.22 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 33.98 1r4b s LYS 198 CO 0.27 -0.08 0.00 0.41 -0.92 0.00 0.00 175.35 175.03 1r4b n GLY 199 N 0.96 4.08 3.12 -3.33 0.00 -0.51 -4.57 105.19 104.93 1r4b n GLY 199 Ca -0.00 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.33 1r4b n GLY 199 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r4b s GLY 200 N 0.00 -0.03 -0.30 -0.02 0.00 -0.79 -3.13 107.32 103.05 1r4b s GLY 200 Ca 0.00 0.09 -0.29 0.00 0.00 0.00 0.00 44.72 44.52 1r4b s GLY 200 CO 0.00 -0.04 1.09 -0.47 0.00 0.00 0.00 173.10 173.68 1r4b s TYR 201 N -1.02 3.14 -0.20 1.90 5.04 -1.26 -0.73 117.35 124.23 1r4b s TYR 201 Ca -0.11 1.22 0.03 0.00 -2.44 0.00 0.00 57.07 55.77 1r4b s TYR 201 Cb -0.06 -3.62 0.08 0.00 0.35 0.00 0.00 41.96 38.71 1r4b s TYR 201 CO 0.02 -0.82 1.06 0.44 -1.34 0.00 0.00 175.55 174.91 1r4b n ILE 202 N 5.78 1.05 -0.27 3.14 -5.35 -0.67 -4.68 119.36 118.36 1r4b n ILE 202 Ca 0.12 -1.06 0.08 0.00 -0.27 0.00 0.00 62.75 61.61 1r4b n ILE 202 Cb 0.47 0.46 0.22 0.00 -1.74 0.00 0.00 39.64 39.05 1r4b n ILE 202 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 1r4b h ASP 203 N 0.43 0.21 0.12 7.28 3.58 -1.92 -0.66 116.42 125.46 1r4b h ASP 203 Ca 0.00 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.58 1r4b h ASP 203 Cb 0.58 0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.77 1r4b h ASP 203 CO 0.00 0.03 0.00 -0.65 -2.88 0.00 0.00 179.24 175.74 1r4b h PRO 204 N 0.38 0.00 -0.13 0.28 0.11 -1.95 -2.38 132.00 128.30 1r4b h PRO 204 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 1r4b h PRO 204 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1r4b h PRO 204 CO -0.48 0.00 0.00 0.44 -0.21 0.00 0.00 178.00 177.75 1r4b n ILE 205 N -2.95 1.00 -2.47 4.15 -5.35 -0.34 -5.05 119.36 108.35 1r4b n ILE 205 Ca -0.02 -1.00 -0.34 0.00 -0.27 0.00 0.00 62.75 61.12 1r4b n ILE 205 Cb 0.09 0.50 -0.03 0.00 -1.74 0.00 0.00 39.64 38.47 1r4b n ILE 205 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1r4b s SER 206 N -1.00 6.19 0.54 7.28 0.15 -0.71 -4.30 113.70 121.86 1r4b s SER 206 Ca 0.09 1.99 0.29 0.00 0.70 0.00 0.00 55.95 59.01 1r4b s SER 206 Cb 0.05 -2.57 1.54 0.00 -1.71 0.00 0.00 66.02 63.33 1r4b s SER 206 CO 0.06 -0.89 2.11 0.22 1.20 0.00 0.00 173.24 175.94 1r4b h TYR 207 N 1.48 0.00 -2.76 3.44 3.20 -1.85 -3.34 116.97 117.13 1r4b h TYR 207 Ca -0.50 0.00 -0.61 0.00 3.14 0.00 0.00 58.73 60.76 1r4b h TYR 207 Cb 1.23 0.00 -0.41 0.00 1.54 0.00 0.00 36.73 39.09 1r4b h TYR 207 CO 0.55 0.09 -0.65 1.19 -1.64 0.00 0.00 178.16 177.71 1r4b n PHE 208 N -3.63 2.64 -1.93 -3.82 3.72 -1.26 -5.02 117.46 108.17 1r4b n PHE 208 Ca -0.02 -4.12 -0.39 0.00 -0.05 0.00 0.00 57.45 52.86 1r4b n PHE 208 Cb 0.21 -0.49 0.01 0.00 -0.94 0.00 0.00 39.48 38.27 1r4b n PHE 208 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1r4b s PRO 209 N -1.47 3.77 0.00 -1.08 0.04 -1.26 -3.16 135.00 131.85 1r4b s PRO 209 Ca 0.29 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.60 1r4b s PRO 209 Cb 0.02 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.90 1r4b s PRO 209 CO -0.14 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 176.62 1r4b n GLY 210 N 0.62 0.32 0.16 0.56 0.00 -1.26 -4.93 105.19 100.67 1r4b n GLY 210 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.20 1r4b n GLY 210 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1r4b h GLN 211 N 3.16 0.00 -5.91 1.61 4.20 -1.94 -3.47 115.11 112.77 1r4b h GLN 211 Ca 0.00 0.00 -0.40 0.00 0.06 0.00 0.00 58.65 58.31 1r4b h GLN 211 Cb 0.00 0.00 0.11 0.00 0.30 0.00 0.00 27.48 27.89 1r4b h GLN 211 CO 0.00 0.00 -0.74 1.28 -0.67 0.00 0.00 178.83 178.70 1r4b n LEU 212 N -2.54 -3.39 -4.72 1.46 4.77 -1.26 -4.67 117.00 106.65 1r4b n LEU 212 Ca 0.04 -0.64 -0.42 0.00 -0.03 0.00 0.00 56.01 54.96 1r4b n LEU 212 Cb 0.39 -2.93 -0.03 0.00 -2.33 0.00 0.00 43.42 38.52 1r4b n LEU 212 CO 0.28 0.52 0.96 -0.70 -1.33 0.00 0.00 177.39 177.12 1r4b s GLU 213 N -6.07 4.39 -0.18 3.23 2.12 -1.26 -1.89 118.70 119.05 1r4b s GLU 213 Ca 0.37 1.92 -0.03 0.00 0.36 0.00 0.00 54.97 57.58 1r4b s GLU 213 Cb -0.17 -3.29 -0.02 0.00 0.26 0.00 0.00 34.13 30.92 1r4b s GLU 213 CO 0.76 -0.31 -0.06 0.08 -0.54 0.00 0.00 175.26 175.19 1r4b s VAL 214 N 0.89 3.46 -0.15 3.70 1.01 -0.22 -1.67 120.40 127.43 1r4b s VAL 214 Ca 0.60 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.98 1r4b s VAL 214 Cb -0.33 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.47 1r4b s VAL 214 CO 0.31 0.46 0.24 -0.22 0.00 0.00 0.00 175.10 175.89 1r4b s LEU 215 N 0.93 4.28 0.18 3.92 2.96 0.10 -1.47 118.68 129.57 1r4b s LEU 215 Ca -0.01 0.48 0.10 0.00 -0.22 0.00 0.00 54.13 54.48 1r4b s LEU 215 Cb -0.15 -2.28 -0.04 0.00 0.50 0.00 0.00 46.19 44.22 1r4b s LEU 215 CO 0.01 0.19 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.32 1r4b s LEU 216 N 0.05 2.78 0.92 -0.68 1.43 -0.15 -1.88 118.68 121.15 1r4b s LEU 216 Ca 0.15 -0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 52.49 1r4b s LEU 216 Cb -0.13 -1.51 0.13 0.00 0.03 0.00 0.00 46.19 44.72 1r4b s LEU 216 CO 0.03 0.12 1.05 -2.65 0.23 0.00 0.00 176.35 175.13 1r4b n PRO 217 N 0.21 -0.40 -1.95 1.29 -0.02 -1.26 -1.99 135.00 130.87 1r4b n PRO 217 Ca -0.12 -0.05 -0.29 0.00 -2.02 0.00 0.00 63.50 61.02 1r4b n PRO 217 Cb 0.55 -2.31 0.06 0.00 -0.02 0.00 0.00 33.50 31.78 1r4b n PRO 217 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1r4b s ARG 218 N -4.47 2.48 -1.42 -0.52 1.70 -1.26 -3.98 118.95 111.48 1r4b s ARG 218 Ca 0.66 0.24 -0.07 0.00 -0.47 0.00 0.00 55.73 56.09 1r4b s ARG 218 Cb -0.23 -2.02 0.04 0.00 -0.57 0.00 0.00 34.95 32.16 1r4b s ARG 218 CO 0.59 -1.24 0.57 0.09 -1.08 0.00 0.00 175.30 174.23 1r4b n ASN 219 N -3.09 -4.92 -4.58 -2.89 3.02 -0.62 -4.92 115.26 97.26 1r4b n ASN 219 Ca 0.07 -0.35 -0.39 0.00 -0.03 0.00 0.00 54.58 53.88 1r4b n ASN 219 Cb 0.59 -4.01 -0.11 0.00 -0.61 0.00 0.00 39.78 35.64 1r4b n ASN 219 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1r4b s ASN 220 N -2.74 6.03 0.10 6.41 3.04 -1.25 -4.85 114.94 121.67 1r4b s ASN 220 Ca 0.37 -0.10 -0.23 0.00 0.04 0.00 0.00 52.86 52.93 1r4b s ASN 220 Cb -0.18 -2.12 -0.07 0.00 -1.54 0.00 0.00 41.25 37.34 1r4b s ASN 220 CO 0.45 -0.09 0.70 -0.44 -3.04 0.00 0.00 177.10 174.68 1r4b s SER 221 N 1.75 7.23 0.08 -4.21 0.01 -1.26 -3.84 113.70 113.46 1r4b s SER 221 Ca 0.07 1.46 0.04 0.00 1.31 0.00 0.00 55.95 58.83 1r4b s SER 221 Cb -0.16 -2.44 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 1r4b s SER 221 CO 0.11 0.17 -0.11 -0.72 0.41 0.00 0.00 173.24 173.10 1r4b s TYR 222 N -0.81 1.06 -0.23 2.43 -0.85 -0.21 -4.82 117.35 113.92 1r4b s TYR 222 Ca 0.34 -0.57 -0.10 0.00 -0.52 0.00 0.00 57.07 56.23 1r4b s TYR 222 Cb -0.21 -0.59 -0.05 0.00 0.38 0.00 0.00 41.96 41.49 1r4b s TYR 222 CO 0.23 0.01 0.14 -0.47 -1.52 0.00 0.00 175.55 173.93 1r4b s TYR 223 N -1.92 3.27 -0.52 -3.49 5.04 -0.72 -0.47 117.35 118.54 1r4b s TYR 223 Ca 0.01 0.13 -0.25 0.00 -2.44 0.00 0.00 57.07 54.52 1r4b s TYR 223 Cb -0.06 -2.24 0.04 0.00 0.35 0.00 0.00 41.96 40.04 1r4b s TYR 223 CO 0.01 0.02 0.94 0.42 -1.34 0.00 0.00 175.55 175.60 1r4b s ILE 224 N 1.05 4.41 -0.28 3.14 1.01 -0.58 -0.35 121.20 129.59 1r4b s ILE 224 Ca 0.07 0.45 0.22 0.00 0.00 0.00 0.00 60.65 61.39 1r4b s ILE 224 Cb -0.14 -4.51 -0.14 0.00 0.01 0.00 0.00 42.46 37.69 1r4b s ILE 224 CO 0.04 -1.02 0.87 -1.54 0.00 0.00 0.00 174.94 173.29 1r4b n SER 225 N 7.38 0.53 -3.62 3.58 3.41 -0.41 -0.52 113.62 123.97 1r4b n SER 225 Ca 0.03 0.07 -0.16 0.00 -0.26 0.00 0.00 58.87 58.56 1r4b n SER 225 Cb 0.48 1.02 -0.07 0.00 -0.26 0.00 0.00 64.21 65.37 1r4b n SER 225 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1r4b s ASP 226 N -4.69 -0.53 -0.09 4.04 2.15 -1.19 -4.73 116.67 111.64 1r4b s ASP 226 Ca -0.02 0.69 -0.05 0.00 0.43 0.00 0.00 52.55 53.61 1r4b s ASP 226 Cb 0.12 0.66 0.04 0.00 -0.30 0.00 0.00 42.92 43.45 1r4b s ASP 226 CO 0.83 -0.46 0.21 -0.04 -0.17 0.00 0.00 175.17 175.54 1r4b s MET 227 N -0.82 0.17 0.04 4.34 -1.94 -1.26 -1.11 119.30 118.72 1r4b s MET 227 Ca -0.09 0.45 -0.02 0.00 -1.71 0.00 0.00 55.69 54.33 1r4b s MET 227 Cb -0.02 -0.11 -0.03 0.00 2.01 0.00 0.00 34.83 36.68 1r4b s MET 227 CO 0.06 -0.15 0.00 -0.65 -0.01 0.00 0.00 175.02 174.27 1r4b s GLN 228 N 1.10 0.51 0.08 2.03 -0.21 -0.13 -4.99 119.66 118.05 1r4b s GLN 228 Ca -0.08 -0.90 -0.23 0.00 0.02 0.00 0.00 55.36 54.17 1r4b s GLN 228 Cb -0.10 0.18 -0.07 0.00 1.00 0.00 0.00 33.01 34.03 1r4b s GLN 228 CO -0.07 -0.10 0.69 0.42 -2.12 0.00 0.00 175.29 174.11 1r4b s ILE 229 N -2.78 4.64 0.73 1.08 1.01 -1.26 -0.29 121.20 124.33 1r4b s ILE 229 Ca -0.04 1.47 -0.11 0.00 0.00 0.00 0.00 60.65 61.98 1r4b s ILE 229 Cb -0.00 -4.03 0.03 0.00 0.01 0.00 0.00 42.46 38.47 1r4b s ILE 229 CO -0.06 0.48 1.08 -0.94 0.00 0.00 0.00 174.94 175.50 1r4b s SER 230 N -0.73 4.86 0.49 3.58 1.04 -0.03 -4.90 113.70 118.01 1r4b s SER 230 Ca 0.34 1.77 0.26 0.00 0.48 0.00 0.00 55.95 58.80 1r4b s SER 230 Cb -0.21 -2.52 1.32 0.00 0.10 0.00 0.00 66.02 64.72 1r4b s SER 230 CO 0.22 -1.79 1.87 -0.65 0.98 0.00 0.00 173.24 173.87 1r4b h PRO 231 N -0.86 0.16 -0.00 4.02 0.11 -1.97 -0.01 132.00 133.45 1r4b h PRO 231 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1r4b h PRO 231 Cb 1.23 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1r4b h PRO 231 CO 0.53 0.11 -0.02 0.27 -0.21 0.00 0.00 178.00 178.68 1r4b n ASN 232 N -4.38 0.50 -0.70 -2.05 0.23 -1.26 -4.92 115.26 102.68 1r4b n ASN 232 Ca 0.19 -1.00 -0.09 0.00 -0.53 0.00 0.00 54.58 53.15 1r4b n ASN 232 Cb 0.86 -0.03 -0.04 0.00 -2.08 0.00 0.00 39.78 38.49 1r4b n ASN 232 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1r4b n ASN 233 N -0.69 -4.63 0.00 0.53 3.02 -0.02 -4.85 115.26 108.62 1r4b n ASN 233 Ca 0.20 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.98 1r4b n ASN 233 Cb 0.22 -2.93 0.00 0.00 -0.61 0.00 0.00 39.78 36.45 1r4b n ASN 233 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1r4b n ARG 234 N -2.04 1.07 -3.91 3.52 1.74 -1.26 -1.07 116.66 114.71 1r4b n ARG 234 Ca -0.09 -0.95 -0.11 0.00 -0.77 0.00 0.00 57.85 55.93 1r4b n ARG 234 Cb 0.39 -0.93 -0.12 0.00 -1.02 0.00 0.00 32.46 30.77 1r4b n ARG 234 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1r4b s GLN 235 N -0.48 0.19 -0.18 5.56 0.74 -1.26 -4.65 119.66 119.57 1r4b s GLN 235 Ca 0.00 -0.27 -0.08 0.00 0.05 0.00 0.00 55.36 55.06 1r4b s GLN 235 Cb 0.00 0.07 -0.04 0.00 1.10 0.00 0.00 33.01 34.14 1r4b s GLN 235 CO 0.00 -0.03 0.08 0.42 -0.55 0.00 0.00 175.29 175.21 1r4b s ILE 236 N -0.73 4.98 -0.23 -2.34 1.01 0.77 -0.85 121.20 123.81 1r4b s ILE 236 Ca -0.08 0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.55 1r4b s ILE 236 Cb -0.05 -3.25 -0.02 0.00 0.01 0.00 0.00 42.46 39.15 1r4b s ILE 236 CO -0.00 0.46 0.01 -0.04 0.00 0.00 0.00 174.94 175.37 1r4b s MET 237 N 0.29 3.54 -0.08 2.79 -1.94 0.60 -0.94 119.30 123.55 1r4b s MET 237 Ca 0.05 -0.54 0.01 0.00 -1.71 0.00 0.00 55.69 53.50 1r4b s MET 237 Cb -0.12 -3.14 -0.03 0.00 2.01 0.00 0.00 34.83 33.55 1r4b s MET 237 CO -0.00 -0.14 -0.10 0.42 -0.01 0.00 0.00 175.02 175.19 1r4b s ILE 238 N 1.40 3.41 -0.15 2.53 1.01 -0.01 -0.95 121.20 128.43 1r4b s ILE 238 Ca 0.05 -0.57 -0.03 0.00 0.00 0.00 0.00 60.65 60.09 1r4b s ILE 238 Cb -0.15 -2.40 -0.03 0.00 0.01 0.00 0.00 42.46 39.90 1r4b s ILE 238 CO 0.01 0.57 -0.05 -0.89 0.00 0.00 0.00 174.94 174.58 1r4b s THR 239 N -0.42 3.78 0.05 2.92 2.01 -0.27 -0.29 115.64 123.41 1r4b s THR 239 Ca 0.06 -0.40 0.03 0.00 0.31 0.00 0.00 61.69 61.69 1r4b s THR 239 Cb -0.12 -2.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 1r4b s THR 239 CO 0.02 0.50 -0.10 0.00 -0.69 0.00 0.00 174.62 174.35 1r4b s ALA 240 N 0.35 0.74 -0.05 7.40 0.00 -0.09 -1.29 121.76 128.82 1r4b s ALA 240 Ca -0.05 -0.83 0.06 0.00 0.00 0.00 0.00 51.96 51.14 1r4b s ALA 240 Cb -0.14 0.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 1r4b s ALA 240 CO 0.03 0.03 -0.23 -1.64 0.00 0.00 0.00 175.76 173.96 1r4b s MET 241 N -1.62 2.46 -0.04 0.00 -1.94 0.52 -0.04 119.30 118.65 1r4b s MET 241 Ca -0.08 -0.86 0.04 0.00 -1.71 0.00 0.00 55.69 53.08 1r4b s MET 241 Cb -0.10 -2.19 -0.00 0.00 2.01 0.00 0.00 34.83 34.55 1r4b s MET 241 CO 0.01 0.47 -0.15 0.42 -0.01 0.00 0.00 175.02 175.75 1r4b s ILE 242 N -0.36 1.27 0.00 2.53 1.01 -0.19 -1.76 121.20 123.69 1r4b s ILE 242 Ca 0.03 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.04 1r4b s ILE 242 Cb -0.12 -1.10 0.00 0.00 0.01 0.00 0.00 42.46 41.25 1r4b s ILE 242 CO 0.02 0.37 0.61 0.49 0.00 0.00 0.00 174.94 176.43 1r4b n PHE 243 N 3.16 0.00 -1.55 3.97 3.72 -1.26 -1.83 117.46 123.67 1r4b n PHE 243 Ca -0.18 -0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.08 1r4b n PHE 243 Cb 0.53 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 1r4b n PHE 243 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34