#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r8s h ARG 63 N 0.00 0.00 -0.62 -3.83 3.08 -2.07 -3.13 114.38 107.81 1r8s h ARG 63 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1r8s h ARG 63 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1r8s h ARG 63 CO 0.00 0.07 0.36 0.87 -1.07 0.00 0.00 179.97 180.20 1r8s h LYS 64 N 0.00 0.84 -0.40 0.04 1.79 -2.02 -2.78 116.57 114.05 1r8s h LYS 64 Ca -0.00 -0.08 -0.03 0.00 -2.18 0.00 0.00 60.65 58.36 1r8s h LYS 64 Cb 0.36 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.82 1r8s h LYS 64 CO 0.01 0.60 0.11 1.98 -1.08 0.00 0.00 179.45 181.07 1r8s h MET 65 N 0.86 0.63 -0.69 3.15 4.05 -1.98 -0.98 114.93 119.96 1r8s h MET 65 Ca 0.22 -0.14 -0.04 0.00 -0.28 0.00 0.00 59.70 59.47 1r8s h MET 65 Cb -0.01 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 30.67 1r8s h MET 65 CO -0.04 0.64 0.29 0.00 0.23 0.00 0.00 176.91 178.03 1r8s h ALA 66 N 0.96 1.21 -0.50 0.39 0.00 -1.71 -1.69 119.26 117.92 1r8s h ALA 66 Ca 0.13 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1r8s h ALA 66 Cb 0.28 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1r8s h ALA 66 CO -0.00 0.58 0.20 1.98 0.00 0.00 0.00 179.25 182.01 1r8s h MET 67 N 1.00 0.75 -0.62 0.00 -1.53 -1.22 -2.32 114.93 110.98 1r8s h MET 67 Ca 0.24 -0.13 -0.03 0.00 -3.44 0.00 0.00 59.70 56.33 1r8s h MET 67 Cb 0.17 -0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 31.07 1r8s h MET 67 CO -0.02 0.66 0.24 0.78 0.14 0.00 0.00 176.91 178.71 1r8s h GLY 68 N 0.67 0.96 0.98 1.39 0.00 -0.75 -0.06 103.07 106.26 1r8s h GLY 68 Ca 0.17 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 1r8s h GLY 68 CO -0.01 0.47 0.04 3.21 0.00 0.00 0.00 176.54 180.25 1r8s h ARG 69 N 0.89 0.80 -0.61 4.80 3.08 -1.14 0.46 114.38 122.65 1r8s h ARG 69 Ca 0.21 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 1r8s h ARG 69 Cb 0.17 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1r8s h ARG 69 CO -0.02 0.83 0.17 0.87 -1.07 0.00 0.00 179.97 180.75 1r8s h LYS 70 N 0.66 0.97 -0.83 0.04 1.57 -1.13 -1.24 116.57 116.61 1r8s h LYS 70 Ca 0.14 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1r8s h LYS 70 Cb 0.44 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 1r8s h LYS 70 CO 0.02 0.87 0.51 0.87 -0.57 0.00 0.00 179.45 181.15 1r8s h LYS 71 N 0.89 1.12 -0.45 3.15 1.57 -0.83 -1.28 116.57 120.74 1r8s h LYS 71 Ca 0.20 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 1r8s h LYS 71 Cb 0.32 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1r8s h LYS 71 CO -0.00 0.78 0.25 0.35 -0.57 0.00 0.00 179.45 180.26 1r8s h PHE 72 N 1.14 0.46 -0.50 -1.35 3.57 -0.54 0.17 116.94 119.89 1r8s h PHE 72 Ca 0.30 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.80 1r8s h PHE 72 Cb -0.06 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 1r8s h PHE 72 CO -0.00 0.25 0.23 -0.91 -2.23 0.00 0.00 178.31 175.65 1r8s h ASN 73 N 0.49 0.62 -0.14 0.41 2.35 -0.83 -1.87 115.58 116.61 1r8s h ASN 73 Ca 0.19 -0.06 -0.21 0.00 -0.55 0.00 0.00 56.30 55.67 1r8s h ASN 73 Cb 0.06 -0.16 0.01 0.00 0.05 0.00 0.00 38.32 38.28 1r8s h ASN 73 CO -0.11 0.54 -0.75 -0.03 -1.65 0.00 0.00 177.43 175.43 1r8s h MET 74 N 0.69 0.75 -0.86 0.81 4.05 -0.70 -3.44 114.93 116.23 1r8s h MET 74 Ca 0.17 -0.62 0.05 0.00 -0.28 0.00 0.00 59.70 59.02 1r8s h MET 74 Cb 0.08 0.13 -0.20 0.00 -0.80 0.00 0.00 31.60 30.81 1r8s h MET 74 CO -0.02 1.23 -0.33 0.34 0.23 0.00 0.00 176.91 178.36 1r8s s ASP 75 N -7.05 -1.39 0.20 1.39 2.15 0.53 -5.08 116.67 107.42 1r8s s ASP 75 Ca -0.11 -0.01 -0.13 0.00 0.43 0.00 0.00 52.55 52.73 1r8s s ASP 75 Cb 0.08 1.85 0.23 0.00 -0.30 0.00 0.00 42.92 44.79 1r8s s ASP 75 CO 0.89 -0.24 1.66 -0.65 -0.17 0.00 0.00 175.17 176.67 1r8s h PRO 76 N 7.62 0.07 -0.66 4.34 0.11 -1.53 -0.52 132.00 141.44 1r8s h PRO 76 Ca -0.01 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.11 1r8s h PRO 76 Cb 1.19 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1r8s h PRO 76 CO 0.10 0.05 0.43 1.57 -0.21 0.00 0.00 178.00 179.94 1r8s h LYS 77 N 0.07 0.82 -0.41 1.05 2.10 -1.91 -1.52 116.57 116.77 1r8s h LYS 77 Ca 0.29 -0.05 -0.07 0.00 -2.00 0.00 0.00 60.65 58.82 1r8s h LYS 77 Cb 0.45 -0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 31.58 1r8s h LYS 77 CO -0.52 0.54 0.00 -0.22 -2.00 0.00 0.00 179.45 177.26 1r8s h LYS 78 N 0.85 0.72 -0.66 0.07 1.63 -1.42 -0.33 116.57 117.43 1r8s h LYS 78 Ca 0.25 -0.23 0.01 0.00 -0.85 0.00 0.00 60.65 59.83 1r8s h LYS 78 Cb -0.03 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.49 1r8s h LYS 78 CO -0.06 0.81 0.43 0.78 -3.45 0.00 0.00 179.45 177.95 1r8s h GLY 79 N 0.56 0.93 0.92 5.01 0.00 -0.67 -0.60 103.07 109.22 1r8s h GLY 79 Ca 0.12 -0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1r8s h GLY 79 CO 0.02 0.31 0.11 -2.22 0.00 0.00 0.00 176.54 174.76 1r8s h ILE 80 N 0.86 1.21 -0.33 2.60 1.08 -1.19 -1.29 117.51 120.45 1r8s h ILE 80 Ca 0.25 -0.69 0.07 0.00 -0.39 0.00 0.00 64.86 64.09 1r8s h ILE 80 Cb -0.06 0.98 -0.07 0.00 -3.07 0.00 0.00 36.82 34.60 1r8s h ILE 80 CO -0.07 0.24 -0.12 -0.61 -0.69 0.00 0.00 178.15 176.90 1r8s h GLN 81 N 0.44 -0.06 -0.31 2.37 4.15 -0.77 -0.69 115.11 120.25 1r8s h GLN 81 Ca 0.12 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 1r8s h GLN 81 Cb 0.26 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 1r8s h GLN 81 CO -0.00 -0.04 0.16 0.35 -1.93 0.00 0.00 178.83 177.37 1r8s h PHE 82 N -0.06 0.43 -0.48 3.99 3.57 -0.89 -0.31 116.94 123.20 1r8s h PHE 82 Ca 0.16 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.55 1r8s h PHE 82 Cb 0.31 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1r8s h PHE 82 CO -0.34 0.37 -0.10 -0.07 -2.23 0.00 0.00 178.31 175.94 1r8s h LEU 83 N 0.37 0.85 -0.11 0.59 3.38 -0.91 -1.68 115.31 117.80 1r8s h LEU 83 Ca 0.11 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 1r8s h LEU 83 Cb 0.09 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1r8s h LEU 83 CO -0.02 0.97 -0.04 0.58 0.09 0.00 0.00 178.44 180.02 1r8s h VAL 84 N 0.78 1.31 -0.33 1.22 2.07 -0.99 0.14 116.25 120.45 1r8s h VAL 84 Ca 0.13 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 1r8s h VAL 84 Cb 0.60 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.12 1r8s h VAL 84 CO 0.04 0.30 0.14 -0.33 0.02 0.00 0.00 177.57 177.73 1r8s h GLU 85 N -0.11 0.46 -0.53 1.57 5.08 -0.89 -1.82 114.58 118.35 1r8s h GLU 85 Ca 0.03 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1r8s h GLU 85 Cb 0.49 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1r8s h GLU 85 CO 0.01 0.39 0.00 0.09 -1.00 0.00 0.00 179.01 178.50 1r8s n ASN 86 N -4.41 2.81 -2.75 1.42 3.02 -0.65 -4.93 115.26 109.78 1r8s n ASN 86 Ca 0.02 -2.15 -0.21 0.00 -0.03 0.00 0.00 54.58 52.20 1r8s n ASN 86 Cb 0.13 -0.38 0.01 0.00 -0.61 0.00 0.00 39.78 38.93 1r8s n ASN 86 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1r8s n GLU 87 N 0.71 -3.40 -0.00 3.52 1.02 -0.68 -4.86 120.64 116.94 1r8s n GLU 87 Ca 0.16 0.93 0.10 0.00 -0.02 0.00 0.00 57.16 58.33 1r8s n GLU 87 Cb 0.50 -5.70 -0.13 0.00 -0.02 0.00 0.00 31.44 26.09 1r8s n GLU 87 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1r8s n LEU 88 N -3.55 0.75 -3.73 -4.62 4.77 0.01 -4.91 117.00 105.73 1r8s n LEU 88 Ca -0.17 -0.38 -0.12 0.00 -0.03 0.00 0.00 56.01 55.31 1r8s n LEU 88 Cb 0.65 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.61 1r8s n LEU 88 CO 0.39 0.19 -0.07 -0.22 -1.33 0.00 0.00 177.39 176.34 1r8s s LEU 89 N -3.34 0.35 0.24 2.23 2.96 -1.06 -4.97 118.68 115.10 1r8s s LEU 89 Ca 0.04 0.62 -0.30 0.00 -0.22 0.00 0.00 54.13 54.28 1r8s s LEU 89 Cb 0.15 0.92 -0.09 0.00 0.50 0.00 0.00 46.19 47.67 1r8s s LEU 89 CO 0.86 -0.16 1.13 -1.58 -1.32 0.00 0.00 176.35 175.28 1r8s s GLN 90 N 1.15 4.58 -1.42 1.98 0.74 -1.26 -4.08 119.66 121.35 1r8s s GLN 90 Ca -0.08 1.82 -0.10 0.00 0.05 0.00 0.00 55.36 57.05 1r8s s GLN 90 Cb -0.09 -3.22 0.06 0.00 1.10 0.00 0.00 33.01 30.87 1r8s s GLN 90 CO -0.08 0.10 2.35 -1.71 -0.55 0.00 0.00 175.29 175.39 1r8s n ASN 91 N 1.75 6.37 -4.24 6.67 5.15 -1.26 -4.26 115.26 125.43 1r8s n ASN 91 Ca 0.01 -2.92 -0.20 0.00 -0.60 0.00 0.00 54.58 50.87 1r8s n ASN 91 Cb 0.45 -1.52 -0.12 0.00 -0.53 0.00 0.00 39.78 38.07 1r8s n ASN 91 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1r8s s THR 92 N 1.15 1.44 0.38 -0.44 -4.23 -1.26 -5.04 115.64 107.65 1r8s s THR 92 Ca 0.52 -1.55 0.08 0.00 -1.18 0.00 0.00 61.69 59.57 1r8s s THR 92 Cb 0.15 -1.42 0.30 0.00 1.34 0.00 0.00 72.50 72.87 1r8s s THR 92 CO -0.06 -0.22 1.96 -0.65 -0.54 0.00 0.00 174.62 175.11 1r8s h PRO 93 N 3.93 0.63 -0.24 3.99 0.11 -1.91 -1.33 132.00 137.18 1r8s h PRO 93 Ca -0.43 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 1r8s h PRO 93 Cb 1.19 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1r8s h PRO 93 CO 0.43 0.42 -0.27 0.93 -0.21 0.00 0.00 178.00 179.30 1r8s h GLU 94 N 0.65 0.61 -0.25 1.05 3.07 -1.94 -0.52 114.58 117.26 1r8s h GLU 94 Ca 0.31 -0.33 -0.15 0.00 -0.50 0.00 0.00 59.36 58.68 1r8s h GLU 94 Cb 0.36 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 1r8s h GLU 94 CO -0.10 0.94 -0.47 0.93 -1.40 0.00 0.00 179.01 178.91 1r8s h GLU 95 N 0.32 0.66 -0.40 2.33 4.39 -1.72 -1.13 114.58 119.02 1r8s h GLU 95 Ca 0.03 -0.37 -0.04 0.00 0.34 0.00 0.00 59.36 59.32 1r8s h GLU 95 Cb 0.84 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.50 1r8s h GLU 95 CO 0.07 0.99 0.09 0.82 -1.16 0.00 0.00 179.01 179.82 1r8s h ILE 96 N 0.53 1.23 -0.58 3.13 2.04 -1.22 -1.75 117.51 120.88 1r8s h ILE 96 Ca 0.03 -0.80 0.02 0.00 1.00 0.00 0.00 64.86 65.12 1r8s h ILE 96 Cb 1.01 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 1r8s h ILE 96 CO 0.10 0.28 0.36 0.00 0.00 0.00 0.00 178.15 178.88 1r8s h ALA 97 N 0.95 0.75 -0.89 1.87 0.00 -0.94 -1.16 119.26 119.84 1r8s h ALA 97 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1r8s h ALA 97 Cb 0.32 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1r8s h ALA 97 CO 0.00 0.10 0.57 0.00 0.00 0.00 0.00 179.25 179.92 1r8s h ARG 98 N 0.71 1.18 -0.40 0.00 3.08 -1.01 0.12 114.38 118.06 1r8s h ARG 98 Ca 0.23 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.21 1r8s h ARG 98 Cb 0.01 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.78 1r8s h ARG 98 CO -0.09 0.80 0.26 0.35 -1.07 0.00 0.00 179.97 180.21 1r8s h PHE 99 N 1.21 0.49 -0.24 3.04 3.57 -0.89 -1.28 116.94 122.83 1r8s h PHE 99 Ca 0.32 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.68 1r8s h PHE 99 Cb -0.11 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.46 1r8s h PHE 99 CO -0.01 0.30 -0.48 -0.07 -2.23 0.00 0.00 178.31 175.83 1r8s h LEU 100 N 0.52 0.70 -0.47 0.59 3.38 -0.80 -1.22 115.31 118.02 1r8s h LEU 100 Ca 0.15 -0.34 -0.12 0.00 0.09 0.00 0.00 57.88 57.66 1r8s h LEU 100 Cb -0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1r8s h LEU 100 CO -0.04 1.06 -0.18 0.22 0.09 0.00 0.00 178.44 179.60 1r8s h TYR 101 N 0.51 1.08 -0.37 1.13 3.20 -0.62 -2.75 116.97 119.15 1r8s h TYR 101 Ca 0.03 -0.25 -0.03 0.00 3.14 0.00 0.00 58.73 61.62 1r8s h TYR 101 Cb 1.02 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 39.02 1r8s h TYR 101 CO 0.05 1.06 0.13 0.87 -1.64 0.00 0.00 178.16 178.62 1r8s h LYS 102 N 0.80 0.57 -0.87 1.82 1.57 -1.21 -3.47 116.57 115.79 1r8s h LYS 102 Ca 0.11 -0.12 -0.24 0.00 -1.87 0.00 0.00 60.65 58.54 1r8s h LYS 102 Cb 0.74 -0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.90 1r8s h LYS 102 CO 0.06 0.58 -0.24 0.41 -0.57 0.00 0.00 179.45 179.69 1r8s n GLY 103 N -0.69 0.88 3.63 3.86 0.00 -0.47 -4.92 105.19 107.48 1r8s n GLY 103 Ca -0.01 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 1r8s n GLY 103 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1r8s s GLU 104 N -3.44 3.71 -0.98 1.61 2.12 -1.26 -2.25 118.70 118.21 1r8s s GLU 104 Ca 0.00 2.00 0.00 0.00 0.36 0.00 0.00 54.97 57.33 1r8s s GLU 104 Cb 0.00 -4.15 0.00 0.00 0.26 0.00 0.00 34.13 30.24 1r8s s GLU 104 CO 0.00 -1.42 0.00 0.41 -0.54 0.00 0.00 175.26 173.71 1r8s n GLY 105 N 4.91 1.05 3.67 -1.50 0.00 -1.26 -4.99 105.19 107.07 1r8s n GLY 105 Ca 0.22 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 1r8s n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r8s s LEU 106 N -2.10 3.58 0.03 0.99 1.43 -0.95 -4.77 118.68 116.89 1r8s s LEU 106 Ca 0.00 0.13 -0.30 0.00 -1.03 0.00 0.00 54.13 52.93 1r8s s LEU 106 Cb 0.00 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 1r8s s LEU 106 CO 0.00 0.36 1.15 0.21 0.23 0.00 0.00 176.35 178.30 1r8s s ASN 107 N -0.78 7.14 0.47 2.29 2.47 -1.26 -4.88 114.94 120.38 1r8s s ASN 107 Ca 0.12 1.90 0.21 0.00 0.42 0.00 0.00 52.86 55.51 1r8s s ASN 107 Cb -0.11 -2.57 1.15 0.00 -1.45 0.00 0.00 41.25 38.26 1r8s s ASN 107 CO 0.02 -0.44 1.98 0.11 -3.72 0.00 0.00 177.10 175.05 1r8s h LYS 108 N 6.92 0.00 -0.59 0.43 1.57 -1.93 -1.34 116.57 121.64 1r8s h LYS 108 Ca -0.40 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.35 1r8s h LYS 108 Cb 1.21 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.49 1r8s h LYS 108 CO 0.81 0.20 0.27 1.15 -0.57 0.00 0.00 179.45 181.30 1r8s h THR 109 N 0.00 1.22 -0.64 -0.16 2.02 -1.92 -1.04 112.91 112.39 1r8s h THR 109 Ca -0.00 -0.63 -0.06 0.00 0.77 0.00 0.00 66.41 66.49 1r8s h THR 109 Cb 0.43 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1r8s h THR 109 CO 0.03 0.25 0.18 0.00 0.37 0.00 0.00 175.52 176.35 1r8s h ALA 110 N 1.10 0.84 -0.00 6.16 0.00 -1.62 -0.12 119.26 125.62 1r8s h ALA 110 Ca 0.20 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1r8s h ALA 110 Cb 0.15 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1r8s h ALA 110 CO -0.02 0.53 0.00 0.82 0.00 0.00 0.00 179.25 180.58 1r8s h ILE 111 N 0.93 1.00 -0.93 0.00 2.04 -1.18 -1.52 117.51 117.85 1r8s h ILE 111 Ca 0.20 -0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.09 1r8s h ILE 111 Cb 0.32 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 1r8s h ILE 111 CO -0.00 0.00 0.60 1.23 0.00 0.00 0.00 178.15 179.98 1r8s h GLY 112 N 0.00 1.34 1.01 5.37 0.00 -1.00 -1.29 103.07 108.51 1r8s h GLY 112 Ca 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 1r8s h GLY 112 CO -0.00 0.41 0.28 -0.55 0.00 0.00 0.00 176.54 176.68 1r8s h ASP 113 N 1.18 0.93 -0.18 0.19 3.32 -0.74 -1.03 116.42 120.09 1r8s h ASP 113 Ca 0.36 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 1r8s h ASP 113 Cb -0.02 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 1r8s h ASP 113 CO -0.11 0.84 0.05 0.22 -1.72 0.00 0.00 179.24 178.52 1r8s h TYR 114 N 0.96 0.30 0.00 4.55 3.20 -0.89 -2.69 116.97 122.39 1r8s h TYR 114 Ca 0.23 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 1r8s h TYR 114 Cb 0.19 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.37 1r8s h TYR 114 CO 0.01 0.39 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.77 1r8s h LEU 115 N 0.11 0.00 -0.68 2.82 3.38 -1.08 -2.74 115.31 117.12 1r8s h LEU 115 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1r8s h LEU 115 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1r8s h LEU 115 CO -0.00 0.09 -0.07 0.61 0.09 0.00 0.00 178.44 179.15 1r8s n GLY 116 N -0.67 -0.34 3.78 0.83 0.00 -0.41 -4.75 105.19 103.64 1r8s n GLY 116 Ca -0.02 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 1r8s n GLY 116 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r8s s GLU 117 N -2.16 4.00 0.23 1.61 0.41 -1.04 -4.78 118.70 116.97 1r8s s GLU 117 Ca 0.35 1.51 0.25 0.00 -0.41 0.00 0.00 54.97 56.67 1r8s s GLU 117 Cb 0.21 -2.40 0.90 0.00 -1.78 0.00 0.00 34.13 31.06 1r8s s GLU 117 CO 0.40 -0.29 1.75 -2.13 -0.49 0.00 0.00 175.26 174.49 1r8s n ARG 118 N -0.38 0.23 -1.76 1.61 0.63 -1.26 -4.35 116.66 111.37 1r8s n ARG 118 Ca 0.07 0.32 -0.35 0.00 -0.92 0.00 0.00 57.85 56.96 1r8s n ARG 118 Cb 0.50 -1.84 0.06 0.00 0.45 0.00 0.00 32.46 31.63 1r8s n ARG 118 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1r8s s GLU 119 N -3.21 2.63 0.18 -0.14 0.41 -1.26 -4.77 118.70 112.54 1r8s s GLU 119 Ca 0.07 1.78 -0.13 0.00 -0.41 0.00 0.00 54.97 56.28 1r8s s GLU 119 Cb 0.11 -1.89 0.15 0.00 -1.78 0.00 0.00 34.13 30.72 1r8s s GLU 119 CO 0.49 -1.46 1.75 1.49 -0.49 0.00 0.00 175.26 177.03 1r8s h GLU 120 N 0.36 0.33 -0.30 1.61 4.81 -2.00 -1.33 114.58 118.07 1r8s h GLU 120 Ca -0.49 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.71 1r8s h GLU 120 Cb 1.30 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 1r8s h GLU 120 CO 0.53 0.22 0.16 1.25 -0.73 0.00 0.00 179.01 180.43 1r8s h LEU 121 N 0.34 0.38 -1.09 1.64 5.85 -1.96 -1.62 115.31 118.83 1r8s h LEU 121 Ca 0.22 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.82 1r8s h LEU 121 Cb 0.23 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1r8s h LEU 121 CO -0.23 0.37 0.31 0.78 -0.34 0.00 0.00 178.44 179.32 1r8s h ASN 122 N 0.36 0.86 -0.65 1.25 2.35 -1.70 0.16 115.58 118.20 1r8s h ASN 122 Ca 0.10 -0.10 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 1r8s h ASN 122 Cb 0.08 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 1r8s h ASN 122 CO -0.02 0.73 0.12 -0.07 -1.65 0.00 0.00 177.43 176.55 1r8s h LEU 123 N 0.94 1.03 -0.77 1.61 3.38 -0.96 0.73 115.31 121.28 1r8s h LEU 123 Ca 0.23 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1r8s h LEU 123 Cb 0.12 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1r8s h LEU 123 CO -0.03 1.02 -0.10 0.00 0.09 0.00 0.00 178.44 179.43 1r8s h ALA 124 N 1.05 0.96 -0.53 1.53 0.00 -0.47 -1.67 119.26 120.13 1r8s h ALA 124 Ca 0.20 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1r8s h ALA 124 Cb 0.42 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1r8s h ALA 124 CO 0.01 0.62 0.15 0.28 0.00 0.00 0.00 179.25 180.30 1r8s h VAL 125 N 0.75 1.24 -0.57 0.00 2.07 -0.37 -1.20 116.25 118.17 1r8s h VAL 125 Ca 0.13 -0.83 0.05 0.00 0.82 0.00 0.00 66.70 66.87 1r8s h VAL 125 Cb 0.60 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 1r8s h VAL 125 CO 0.04 0.30 0.30 0.25 0.02 0.00 0.00 177.57 178.48 1r8s h LEU 126 N 0.74 0.43 -0.53 2.57 5.85 -0.54 0.19 115.31 124.01 1r8s h LEU 126 Ca 0.17 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 1r8s h LEU 126 Cb 0.31 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1r8s h LEU 126 CO -0.00 0.28 0.02 0.45 -0.34 0.00 0.00 178.44 178.85 1r8s h HIS 127 N 0.56 1.00 -0.17 1.25 3.86 -1.10 -1.16 115.15 119.39 1r8s h HIS 127 Ca 0.26 -0.17 -0.07 0.00 -1.16 0.00 0.00 60.37 59.24 1r8s h HIS 127 Cb 0.17 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 1r8s h HIS 127 CO -0.10 0.91 -0.19 0.00 0.86 0.00 0.00 177.93 179.42 1r8s h ALA 128 N 0.96 1.36 -0.29 2.45 0.00 -0.81 -1.73 119.26 121.21 1r8s h ALA 128 Ca 0.15 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1r8s h ALA 128 Cb 0.50 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1r8s h ALA 128 CO 0.02 0.44 -0.08 0.35 0.00 0.00 0.00 179.25 179.98 1r8s h PHE 129 N 0.27 0.64 -0.71 0.00 3.57 -0.26 -2.67 116.94 117.78 1r8s h PHE 129 Ca 0.05 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.40 1r8s h PHE 129 Cb 0.49 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 1r8s h PHE 129 CO 0.01 0.77 0.43 0.28 -2.23 0.00 0.00 178.31 177.56 1r8s h VAL 130 N 0.32 1.20 0.00 1.41 2.07 -1.03 -2.21 116.25 118.01 1r8s h VAL 130 Ca 0.07 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1r8s h VAL 130 Cb 0.57 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1r8s h VAL 130 CO 0.03 0.21 -0.04 0.44 0.02 0.00 0.00 177.57 178.23 1r8s h ASP 131 N 0.98 0.00 1.09 0.57 3.32 -0.99 -1.52 116.42 119.88 1r8s h ASP 131 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1r8s h ASP 131 Cb -0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1r8s h ASP 131 CO -0.05 0.04 0.00 0.18 -1.72 0.00 0.00 179.24 177.69 1r8s n LEU 132 N -4.11 0.43 -4.79 1.55 4.77 -0.83 -4.81 117.00 109.21 1r8s n LEU 132 Ca -0.03 0.56 -0.39 0.00 -0.03 0.00 0.00 56.01 56.12 1r8s n LEU 132 Cb 0.12 -0.44 -0.06 0.00 -2.33 0.00 0.00 43.42 40.72 1r8s n LEU 132 CO 0.31 -0.19 0.42 -1.00 -1.33 0.00 0.00 177.39 175.60 1r8s s HIS 133 N -3.09 3.84 -0.27 -1.77 3.76 -0.57 -5.06 115.29 112.13 1r8s s HIS 133 Ca 0.10 1.51 -0.07 0.00 -0.15 0.00 0.00 55.06 56.45 1r8s s HIS 133 Cb 0.14 -2.68 -0.01 0.00 1.11 0.00 0.00 32.58 31.14 1r8s s HIS 133 CO 0.50 0.50 0.07 -2.00 -0.85 0.00 0.00 174.74 172.96 1r8s s GLU 134 N -1.30 3.39 0.00 1.40 2.56 -1.26 -4.98 118.70 118.51 1r8s s GLU 134 Ca 0.36 -0.65 0.08 0.00 0.00 0.00 0.00 54.97 54.76 1r8s s GLU 134 Cb -0.21 -3.34 0.21 0.00 2.00 0.00 0.00 34.13 32.80 1r8s s GLU 134 CO 0.24 -0.31 1.14 1.19 -0.56 0.00 0.00 175.26 176.96 1r8s n PHE 135 N 4.90 0.31 -1.84 5.30 3.72 -1.26 -5.04 117.46 123.55 1r8s n PHE 135 Ca -0.16 -0.44 -0.41 0.00 -0.05 0.00 0.00 57.45 56.40 1r8s n PHE 135 Cb 0.50 -0.03 -0.01 0.00 -0.94 0.00 0.00 39.48 39.00 1r8s n PHE 135 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1r8s s THR 136 N -0.96 2.15 -1.39 4.37 2.01 -1.26 -2.57 115.64 117.98 1r8s s THR 136 Ca 0.17 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.31 1r8s s THR 136 Cb 0.09 -3.09 0.00 0.00 0.01 0.00 0.00 72.50 69.51 1r8s s THR 136 CO 0.12 0.03 0.00 0.47 -0.69 0.00 0.00 174.62 174.55 1r8s n ASP 137 N 0.76 -4.56 -4.49 3.53 8.00 -1.26 -5.01 116.55 113.52 1r8s n ASP 137 Ca 0.02 0.23 -0.31 0.00 0.71 0.00 0.00 54.79 55.44 1r8s n ASP 137 Cb 0.39 -3.43 -0.12 0.00 -0.02 0.00 0.00 41.12 37.95 1r8s n ASP 137 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1r8s s LEU 138 N -3.45 2.76 0.95 0.64 1.43 -1.06 -5.11 118.68 114.84 1r8s s LEU 138 Ca 0.00 -0.33 -0.14 0.00 -1.03 0.00 0.00 54.13 52.63 1r8s s LEU 138 Cb 0.00 -1.60 0.16 0.00 0.03 0.00 0.00 46.19 44.78 1r8s s LEU 138 CO 0.00 0.27 1.17 0.54 0.23 0.00 0.00 176.35 178.56 1r8s s ASN 139 N -1.37 3.22 0.18 2.29 2.20 -1.26 -4.79 114.94 115.40 1r8s s ASN 139 Ca 0.15 0.77 -0.12 0.00 -0.94 0.00 0.00 52.86 52.71 1r8s s ASN 139 Cb -0.11 -1.19 0.08 0.00 -2.00 0.00 0.00 41.25 38.03 1r8s s ASN 139 CO 0.05 -2.71 1.77 0.25 -2.94 0.00 0.00 177.10 173.53 1r8s h LEU 140 N -1.61 0.76 -0.33 3.54 5.85 -1.99 -0.56 115.31 120.97 1r8s h LEU 140 Ca -0.48 -0.11 -0.14 0.00 0.84 0.00 0.00 57.88 57.99 1r8s h LEU 140 Cb 1.31 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1r8s h LEU 140 CO 0.54 0.65 -0.34 0.58 -0.34 0.00 0.00 178.44 179.54 1r8s h VAL 141 N 0.80 1.29 -0.76 1.05 2.07 -1.96 -0.45 116.25 118.29 1r8s h VAL 141 Ca 0.21 -1.51 0.06 0.00 0.82 0.00 0.00 66.70 66.28 1r8s h VAL 141 Cb 0.08 1.49 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 1r8s h VAL 141 CO -0.03 0.49 0.45 1.56 0.02 0.00 0.00 177.57 180.06 1r8s h GLN 142 N 0.60 0.79 -0.35 1.57 4.20 -1.84 0.77 115.11 120.86 1r8s h GLN 142 Ca 0.05 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.61 1r8s h GLN 142 Cb 0.92 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 1r8s h GLN 142 CO 0.08 0.53 -0.18 0.00 -0.67 0.00 0.00 178.83 178.59 1r8s h ALA 143 N 1.37 0.49 -0.86 3.87 0.00 -0.96 -2.38 119.26 120.79 1r8s h ALA 143 Ca 0.33 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1r8s h ALA 143 Cb 0.18 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1r8s h ALA 143 CO -0.18 0.42 0.48 -0.07 0.00 0.00 0.00 179.25 179.90 1r8s h LEU 144 N 0.52 1.08 -0.82 0.00 3.38 -0.60 -0.80 115.31 118.07 1r8s h LEU 144 Ca 0.08 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1r8s h LEU 144 Cb 0.72 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1r8s h LEU 144 CO 0.05 0.86 0.37 0.03 0.09 0.00 0.00 178.44 179.84 1r8s h ARG 145 N 1.21 1.20 -0.22 1.13 3.08 -0.64 0.13 114.38 120.27 1r8s h ARG 145 Ca 0.30 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 1r8s h ARG 145 Cb 0.02 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 1r8s h ARG 145 CO -0.05 0.94 0.06 0.37 -1.07 0.00 0.00 179.97 180.22 1r8s h GLN 146 N 1.18 0.36 -0.24 0.04 4.15 -1.06 -1.88 115.11 117.65 1r8s h GLN 146 Ca 0.28 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.61 1r8s h GLN 146 Cb 0.16 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 1r8s h GLN 146 CO -0.03 0.47 0.13 0.35 -1.93 0.00 0.00 178.83 177.82 1r8s h PHE 147 N 0.18 0.33 -0.00 3.99 3.57 -0.86 -2.68 116.94 121.47 1r8s h PHE 147 Ca 0.07 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1r8s h PHE 147 Cb 0.27 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1r8s h PHE 147 CO 0.01 0.28 -0.00 1.28 -2.23 0.00 0.00 178.31 177.65 1r8s n LEU 148 N -4.86 0.22 0.12 0.59 4.77 0.43 -1.78 117.00 116.49 1r8s n LEU 148 Ca -0.03 -0.07 0.07 0.00 -0.03 0.00 0.00 56.01 55.95 1r8s n LEU 148 Cb 0.07 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1r8s n LEU 148 CO 0.35 0.04 0.22 -0.25 -1.33 0.00 0.00 177.39 176.41 1r8s h TRP 149 N 0.35 0.00 0.00 -1.77 2.91 -0.98 -3.37 115.95 113.09 1r8s h TRP 149 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1r8s h TRP 149 Cb 0.07 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.72 1r8s h TRP 149 CO 0.00 0.21 -0.05 -1.13 -1.03 0.00 0.00 178.44 176.44 1r8s n SER 150 N -2.92 0.10 -3.45 2.65 3.41 -0.73 -4.80 113.62 107.87 1r8s n SER 150 Ca -0.01 0.43 -0.11 0.00 -0.26 0.00 0.00 58.87 58.92 1r8s n SER 150 Cb 0.64 -0.44 -0.02 0.00 -0.26 0.00 0.00 64.21 64.13 1r8s n SER 150 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1r8s s PHE 151 N -3.01 -0.46 -0.25 7.33 -0.12 -1.25 -4.92 117.98 115.30 1r8s s PHE 151 Ca 0.13 0.29 -0.23 0.00 -0.05 0.00 0.00 56.93 57.07 1r8s s PHE 151 Cb 0.18 0.55 -0.01 0.00 -0.63 0.00 0.00 43.02 43.12 1r8s s PHE 151 CO 0.55 -0.73 0.76 0.50 -0.05 0.00 0.00 175.22 176.25 1r8s s ARG 152 N -3.49 4.16 0.14 1.99 6.06 -0.50 -4.69 118.95 122.61 1r8s s ARG 152 Ca 0.03 0.80 -0.31 0.00 -2.50 0.00 0.00 55.73 53.74 1r8s s ARG 152 Cb -0.01 -3.65 -0.11 0.00 0.06 0.00 0.00 34.95 31.25 1r8s s ARG 152 CO -0.11 -0.48 1.78 -1.17 -2.50 0.00 0.00 175.30 172.81 1r8s s LEU 153 N 2.72 4.39 0.97 -0.88 2.96 -1.26 -4.28 118.68 123.29 1r8s s LEU 153 Ca 0.32 2.76 -0.11 0.00 -0.22 0.00 0.00 54.13 56.87 1r8s s LEU 153 Cb -0.15 -3.58 0.17 0.00 0.50 0.00 0.00 46.19 43.13 1r8s s LEU 153 CO 0.08 -0.98 1.10 -2.84 -1.32 0.00 0.00 176.35 172.39 1r8s s PRO 154 N 2.26 0.65 0.13 0.98 0.02 -1.26 -4.98 135.00 132.80 1r8s s PRO 154 Ca 0.78 1.19 0.20 0.00 0.02 0.00 0.00 61.00 63.19 1r8s s PRO 154 Cb -0.46 -1.71 -0.08 0.00 0.02 0.00 0.00 34.50 32.27 1r8s s PRO 154 CO 0.35 -2.77 0.92 0.41 -0.33 0.00 0.00 177.00 175.58 1r8s n GLY 155 N -0.01 -1.32 3.72 0.52 0.00 -1.26 -4.68 105.19 102.16 1r8s n GLY 155 Ca 0.08 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1r8s n GLY 155 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r8s s LYS 156 N -3.14 4.27 0.32 1.61 1.02 -1.26 -4.90 119.74 117.66 1r8s s LYS 156 Ca -0.02 2.22 -0.00 0.00 0.02 0.00 0.00 55.97 58.19 1r8s s LYS 156 Cb 0.09 -3.19 0.52 0.00 -0.52 0.00 0.00 37.83 34.73 1r8s s LYS 156 CO 0.80 -0.50 1.97 0.00 -0.92 0.00 0.00 175.35 176.70 1r8s h ALA 157 N 6.59 1.44 0.00 5.17 0.00 -1.99 -1.58 119.26 128.89 1r8s h ALA 157 Ca -0.43 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.32 1r8s h ALA 157 Cb 1.21 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1r8s h ALA 157 CO 0.88 0.49 -0.42 1.96 0.00 0.00 0.00 179.25 182.16 1r8s h GLN 158 N 0.96 0.00 -0.10 0.00 1.08 -1.99 0.98 115.11 116.04 1r8s h GLN 158 Ca 0.25 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.38 1r8s h GLN 158 Cb -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 1r8s h GLN 158 CO -0.05 0.42 -0.23 0.87 -0.95 0.00 0.00 178.83 178.89 1r8s h LYS 159 N 0.00 0.33 -0.85 1.46 1.57 -1.63 -2.12 116.57 115.33 1r8s h LYS 159 Ca -0.00 -0.22 0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1r8s h LYS 159 Cb 0.87 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.15 1r8s h LYS 159 CO 0.05 0.83 0.52 0.82 -0.57 0.00 0.00 179.45 181.11 1r8s h ILE 160 N -0.13 1.03 -0.09 1.86 2.04 -1.10 -1.48 117.51 119.64 1r8s h ILE 160 Ca -0.00 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 1r8s h ILE 160 Cb 0.84 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1r8s h ILE 160 CO 0.05 0.17 0.05 -0.78 0.00 0.00 0.00 178.15 177.64 1r8s h ASP 161 N 0.95 0.11 -0.64 1.72 3.58 -0.70 0.43 116.42 121.87 1r8s h ASP 161 Ca 0.37 -0.09 -0.06 0.00 0.42 0.00 0.00 57.03 57.68 1r8s h ASP 161 Cb 0.18 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.17 1r8s h ASP 161 CO -0.18 0.17 0.19 0.03 -2.88 0.00 0.00 179.24 176.57 1r8s h ARG 162 N 0.05 1.03 -0.55 0.28 3.08 -1.10 -0.87 114.38 116.29 1r8s h ARG 162 Ca 0.03 -0.22 -0.11 0.00 0.07 0.00 0.00 59.98 59.76 1r8s h ARG 162 Cb 0.08 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1r8s h ARG 162 CO -0.00 0.89 -0.07 0.52 -1.07 0.00 0.00 179.97 180.24 1r8s h MET 163 N 0.98 1.02 -0.14 0.04 2.86 -0.93 -1.96 114.93 116.81 1r8s h MET 163 Ca 0.21 -0.36 -0.15 0.00 -2.06 0.00 0.00 59.70 57.34 1r8s h MET 163 Cb 0.31 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 1r8s h MET 163 CO -0.00 1.05 -0.55 0.52 1.06 0.00 0.00 176.91 178.99 1r8s h MET 164 N 0.90 0.43 -0.42 1.72 2.86 -0.55 -0.74 114.93 119.13 1r8s h MET 164 Ca 0.15 -0.27 -0.10 0.00 -2.06 0.00 0.00 59.70 57.42 1r8s h MET 164 Cb 0.63 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 1r8s h MET 164 CO 0.04 0.86 -0.12 1.49 1.06 0.00 0.00 176.91 180.25 1r8s h GLU 165 N 0.33 0.83 -0.24 1.72 4.81 -1.06 -0.21 114.58 120.75 1r8s h GLU 165 Ca 0.01 -0.32 -0.03 0.00 -0.13 0.00 0.00 59.36 58.89 1r8s h GLU 165 Cb 1.06 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1r8s h GLU 165 CO 0.10 0.95 0.04 0.00 -0.73 0.00 0.00 179.01 179.37 1r8s h ALA 166 N 0.85 0.32 -0.51 2.92 0.00 -1.30 -2.43 119.26 119.10 1r8s h ALA 166 Ca 0.10 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1r8s h ALA 166 Cb 0.66 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 1r8s h ALA 166 CO 0.04 -0.01 0.17 0.35 0.00 0.00 0.00 179.25 179.80 1r8s h PHE 167 N 0.20 0.30 -0.71 0.00 3.57 -1.07 -2.94 116.94 116.30 1r8s h PHE 167 Ca 0.07 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 1r8s h PHE 167 Cb 0.31 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 1r8s h PHE 167 CO 0.02 0.08 0.16 0.00 -2.23 0.00 0.00 178.31 176.34 1r8s h ALA 168 N 1.35 0.94 -0.62 2.41 0.00 -0.73 0.86 119.26 123.47 1r8s h ALA 168 Ca 0.25 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1r8s h ALA 168 Cb 0.29 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1r8s h ALA 168 CO -0.27 0.67 0.35 1.96 0.00 0.00 0.00 179.25 181.97 1r8s h GLN 169 N 1.07 0.65 -0.23 0.00 4.20 -1.30 -1.31 115.11 118.19 1r8s h GLN 169 Ca 0.22 -0.04 -0.16 0.00 0.06 0.00 0.00 58.65 58.74 1r8s h GLN 169 Cb 0.39 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1r8s h GLN 169 CO 0.00 0.43 -0.47 -0.09 -0.67 0.00 0.00 178.83 178.04 1r8s h ARG 170 N 0.67 0.72 -0.48 1.46 9.65 -1.21 -2.38 114.38 122.81 1r8s h ARG 170 Ca 0.27 -0.47 0.06 0.00 -1.10 0.00 0.00 59.98 58.74 1r8s h ARG 170 Cb 0.12 0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 28.71 1r8s h ARG 170 CO -0.15 1.09 0.17 -0.92 2.80 0.00 0.00 179.97 182.96 1r8s h TYR 171 N 0.44 0.30 -0.50 2.20 3.20 -0.60 -1.24 116.97 120.77 1r8s h TYR 171 Ca 0.01 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.78 1r8s h TYR 171 Cb 1.07 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.26 1r8s h TYR 171 CO 0.08 0.11 -0.17 0.00 -1.64 0.00 0.00 178.16 176.54 1r8s h LEU 173 N 0.87 0.93 -0.27 0.00 5.85 -1.13 -2.67 115.31 118.89 1r8s h LEU 173 Ca 0.12 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1r8s h LEU 173 Cb 0.74 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1r8s h LEU 173 CO 0.06 0.76 -0.23 0.00 -0.34 0.00 0.00 178.44 178.69 1r8s n ASN 175 N -3.19 1.31 -4.78 0.00 3.02 -0.16 -4.29 115.26 107.17 1r8s n ASN 175 Ca 0.02 -2.92 -0.41 0.00 -0.03 0.00 0.00 54.58 51.24 1r8s n ASN 175 Cb 0.58 -0.65 -0.00 0.00 -0.61 0.00 0.00 39.78 39.10 1r8s n ASN 175 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1r8s s PRO 176 N -1.53 4.12 0.00 3.52 0.02 -1.05 -2.83 135.00 137.24 1r8s s PRO 176 Ca 0.36 2.56 0.00 0.00 0.02 0.00 0.00 61.00 63.94 1r8s s PRO 176 Cb 0.15 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 31.70 1r8s s PRO 176 CO -0.08 -0.52 0.00 0.41 -0.33 0.00 0.00 177.00 176.47 1r8s n GLY 177 N 0.58 2.15 0.22 0.52 0.00 -1.26 -4.89 105.19 102.51 1r8s n GLY 177 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 1r8s n GLY 177 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1r8s h VAL 178 N 0.00 1.27 -4.13 1.61 2.07 -1.88 -3.43 116.25 111.75 1r8s h VAL 178 Ca 0.00 -1.10 -0.68 0.00 0.82 0.00 0.00 66.70 65.74 1r8s h VAL 178 Cb 0.00 1.20 -0.25 0.00 -1.52 0.00 0.00 31.29 30.72 1r8s h VAL 178 CO 0.00 0.37 -0.87 -0.36 0.02 0.00 0.00 177.57 176.73 1r8s s PHE 179 N -4.88 2.26 -0.99 1.57 0.08 -1.26 -5.04 117.98 109.72 1r8s s PHE 179 Ca -0.13 -0.40 0.27 0.00 0.12 0.00 0.00 56.93 56.79 1r8s s PHE 179 Cb 0.10 -1.30 0.82 0.00 -0.57 0.00 0.00 43.02 42.07 1r8s s PHE 179 CO 0.80 0.21 1.64 0.00 -0.10 0.00 0.00 175.22 177.77 1r8s n GLN 180 N 1.42 0.01 -3.64 0.44 10.64 -1.26 -4.82 117.38 120.17 1r8s n GLN 180 Ca -0.17 0.01 -0.12 0.00 -1.83 0.00 0.00 57.00 54.88 1r8s n GLN 180 Cb 0.52 -1.51 -0.05 0.00 -0.86 0.00 0.00 30.24 28.34 1r8s n GLN 180 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 1r8s s SER 181 N -3.06 -0.27 0.30 2.61 1.04 -1.26 -5.02 113.70 108.05 1r8s s SER 181 Ca 0.12 -0.14 0.02 0.00 0.48 0.00 0.00 55.95 56.43 1r8s s SER 181 Cb 0.18 0.45 0.49 0.00 0.10 0.00 0.00 66.02 67.24 1r8s s SER 181 CO 0.63 -0.76 1.81 0.71 0.98 0.00 0.00 173.24 176.61 1r8s h THR 182 N 2.69 1.22 -0.73 2.02 1.35 -1.92 -2.49 112.91 115.06 1r8s h THR 182 Ca -0.33 -0.96 0.07 0.00 -0.55 0.00 0.00 66.41 64.65 1r8s h THR 182 Cb 1.23 1.03 -0.06 0.00 -1.73 0.00 0.00 68.15 68.62 1r8s h THR 182 CO 0.45 0.32 0.41 0.44 -0.25 0.00 0.00 175.52 176.89 1r8s h ASP 183 N 0.54 0.59 -0.36 5.36 3.32 -1.96 0.10 116.42 124.01 1r8s h ASP 183 Ca 0.10 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1r8s h ASP 183 Cb 0.44 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1r8s h ASP 183 CO 0.02 0.36 0.20 0.74 -1.72 0.00 0.00 179.24 178.85 1r8s h THR 184 N 0.72 1.13 -0.57 0.35 2.02 -1.68 -0.43 112.91 114.45 1r8s h THR 184 Ca 0.34 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 1r8s h THR 184 Cb 0.26 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 1r8s h THR 184 CO -0.21 0.13 0.28 0.00 0.37 0.00 0.00 175.52 176.09 1r8s h TYR 186 N 0.78 0.31 -0.45 0.00 -0.00 -0.53 0.23 116.97 117.31 1r8s h TYR 186 Ca 0.20 -0.02 -0.05 0.00 -0.00 0.00 0.00 58.73 58.86 1r8s h TYR 186 Cb 0.11 -0.10 -0.02 0.00 -0.00 0.00 0.00 36.73 36.73 1r8s h TYR 186 CO -0.00 0.32 0.07 0.28 -0.00 0.00 0.00 178.16 178.83 1r8s h VAL 187 N 0.21 1.25 -0.85 1.81 2.07 -0.98 -0.81 116.25 118.95 1r8s h VAL 187 Ca 0.07 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 1r8s h VAL 187 Cb 0.13 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 1r8s h VAL 187 CO -0.01 0.31 0.50 0.25 0.02 0.00 0.00 177.57 178.64 1r8s h LEU 188 N 0.60 1.04 -0.45 2.57 5.85 -1.03 -0.47 115.31 123.42 1r8s h LEU 188 Ca 0.14 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1r8s h LEU 188 Cb 0.39 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 1r8s h LEU 188 CO 0.01 0.81 0.24 0.28 -0.34 0.00 0.00 178.44 179.44 1r8s h SER 189 N 1.18 0.57 -0.90 1.25 0.02 -0.55 -0.17 113.55 114.96 1r8s h SER 189 Ca 0.30 -0.10 0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1r8s h SER 189 Cb -0.02 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.33 1r8s h SER 189 CO -0.05 0.50 0.59 0.22 -1.14 0.00 0.00 176.83 176.95 1r8s h TYR 190 N 0.59 1.11 -0.96 3.45 3.20 -0.85 -1.82 116.97 121.69 1r8s h TYR 190 Ca 0.16 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.05 1r8s h TYR 190 Cb 0.07 -0.37 -0.05 0.00 1.54 0.00 0.00 36.73 37.92 1r8s h TYR 190 CO -0.02 0.67 0.60 1.03 -1.64 0.00 0.00 178.16 178.80 1r8s h SER 191 N 1.17 1.14 -0.57 -2.11 0.87 -0.58 -0.87 113.55 112.61 1r8s h SER 191 Ca 0.34 -0.06 -0.07 0.00 -1.23 0.00 0.00 61.79 60.78 1r8s h SER 191 Cb -0.07 -0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 61.57 1r8s h SER 191 CO -0.09 0.86 0.10 0.58 -0.53 0.00 0.00 176.83 177.75 1r8s h VAL 192 N 1.32 1.25 -0.57 2.23 2.07 -0.40 0.89 116.25 123.03 1r8s h VAL 192 Ca 0.35 -0.96 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 1r8s h VAL 192 Cb -0.09 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1r8s h VAL 192 CO -0.07 0.36 0.10 0.40 0.02 0.00 0.00 177.57 178.38 1r8s h ILE 193 N 0.92 1.25 -0.67 4.57 1.08 -0.73 -0.58 117.51 123.36 1r8s h ILE 193 Ca 0.19 -0.96 0.04 0.00 -0.39 0.00 0.00 64.86 63.74 1r8s h ILE 193 Cb 0.39 0.78 -0.05 0.00 -3.07 0.00 0.00 36.82 34.87 1r8s h ILE 193 CO 0.01 0.35 0.39 0.24 -0.69 0.00 0.00 178.15 178.45 1r8s h MET 194 N 0.83 0.73 -0.49 2.37 2.86 -0.78 -1.42 114.93 119.03 1r8s h MET 194 Ca 0.17 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 1r8s h MET 194 Cb 0.40 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1r8s h MET 194 CO 0.01 0.48 0.20 1.25 1.06 0.00 0.00 176.91 179.91 1r8s h LEU 195 N 0.75 0.67 -1.10 1.22 5.85 -0.43 0.31 115.31 122.58 1r8s h LEU 195 Ca 0.28 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1r8s h LEU 195 Cb 0.10 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1r8s h LEU 195 CO -0.14 0.66 0.53 -1.13 -0.34 0.00 0.00 178.44 178.02 1r8s h ASN 196 N 0.65 1.01 -0.06 1.25 -0.73 -0.79 -0.07 115.58 116.83 1r8s h ASN 196 Ca 0.16 -0.05 -0.00 0.00 1.87 0.00 0.00 56.30 58.28 1r8s h ASN 196 Cb 0.19 -0.25 -0.00 0.00 0.27 0.00 0.00 38.32 38.53 1r8s h ASN 196 CO -0.01 0.76 0.02 0.74 -0.37 0.00 0.00 177.43 178.57 1r8s h THR 197 N 1.17 1.13 -0.23 -3.57 2.02 -0.86 -1.27 112.91 111.30 1r8s h THR 197 Ca 0.31 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1r8s h THR 197 Cb -0.08 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1r8s h THR 197 CO -0.06 0.11 0.12 -0.78 0.37 0.00 0.00 175.52 175.29 1r8s h ASP 198 N -0.06 0.29 0.60 4.18 1.82 -0.57 -0.64 116.42 122.05 1r8s h ASP 198 Ca 0.02 -0.09 -0.18 0.00 -0.39 0.00 0.00 57.03 56.38 1r8s h ASP 198 Cb 0.16 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.08 1r8s h ASP 198 CO -0.00 0.30 -0.81 -0.07 -1.61 0.00 0.00 179.24 177.05 1r8s h LEU 199 N 0.26 0.19 0.00 2.28 3.38 -1.01 -3.39 115.31 117.02 1r8s h LEU 199 Ca 0.08 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1r8s h LEU 199 Cb 0.08 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1r8s h LEU 199 CO -0.01 0.92 -0.04 1.41 0.09 0.00 0.00 178.44 180.80 1r8s n HIS 200 N -3.68 0.00 -2.76 1.13 8.25 -0.48 -4.95 115.22 112.72 1r8s n HIS 200 Ca -0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.01 1r8s n HIS 200 Cb 0.77 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.85 1r8s n HIS 200 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1r8s s ASN 201 N -0.98 6.91 0.48 0.41 3.84 -0.25 -4.92 114.94 120.42 1r8s s ASN 201 Ca 0.00 1.07 0.33 0.00 0.21 0.00 0.00 52.86 54.47 1r8s s ASN 201 Cb 0.00 -2.49 1.63 0.00 -0.55 0.00 0.00 41.25 39.84 1r8s s ASN 201 CO 0.00 -0.68 1.99 -0.65 -2.79 0.00 0.00 177.10 174.97 1r8s h PRO 202 N 7.81 0.00 0.00 0.43 0.11 -1.92 -1.32 132.00 137.11 1r8s h PRO 202 Ca -0.21 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.89 1r8s h PRO 202 Cb 1.07 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 1r8s h PRO 202 CO 0.95 0.00 -0.04 -0.91 -0.21 0.00 0.00 178.00 177.79 1r8s h ASN 203 N 0.00 0.00 -3.60 -2.05 4.21 -1.93 -3.40 115.58 108.80 1r8s h ASN 203 Ca 0.00 0.00 -0.63 0.00 1.21 0.00 0.00 56.30 56.88 1r8s h ASN 203 Cb 0.17 0.00 -0.14 0.00 -1.12 0.00 0.00 38.32 37.23 1r8s h ASN 203 CO 0.00 0.04 -0.03 -0.69 -1.29 0.00 0.00 177.43 175.46 1r8s s VAL 204 N -4.40 5.02 -0.13 2.81 1.01 -0.50 -4.99 120.40 119.23 1r8s s VAL 204 Ca -0.04 0.54 -0.11 0.00 0.00 0.00 0.00 61.98 62.36 1r8s s VAL 204 Cb 0.14 -3.93 -0.09 0.00 0.00 0.00 0.00 36.38 32.50 1r8s s VAL 204 CO 0.54 -0.12 0.20 0.03 0.00 0.00 0.00 175.10 175.74 1r8s h ARG 205 N 8.32 0.00 -3.88 2.72 3.08 -1.86 -3.43 114.38 119.33 1r8s h ARG 205 Ca -0.28 0.00 -0.78 0.00 0.07 0.00 0.00 59.98 58.99 1r8s h ARG 205 Cb 1.13 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 30.92 1r8s h ARG 205 CO 0.76 0.37 0.03 -0.51 -1.07 0.00 0.00 179.97 179.55 1r8s s ASP 206 N -5.89 6.64 0.69 7.04 1.01 -1.26 -5.05 116.67 119.85 1r8s s ASP 206 Ca -0.11 -2.53 -0.16 0.00 0.71 0.00 0.00 52.55 50.46 1r8s s ASP 206 Cb 0.00 -2.21 -0.01 0.00 1.01 0.00 0.00 42.92 41.72 1r8s s ASP 206 CO 0.28 -0.62 0.93 0.29 0.21 0.00 0.00 175.17 176.26 1r8s n LYS 207 N 4.20 0.59 -2.47 8.23 4.76 -1.26 -4.94 118.16 127.26 1r8s n LYS 207 Ca 0.09 0.25 -0.42 0.00 -2.87 0.00 0.00 58.31 55.36 1r8s n LYS 207 Cb 0.46 -2.18 -0.03 0.00 -1.84 0.00 0.00 35.03 31.44 1r8s n LYS 207 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1r8s s MET 208 N -3.15 4.45 0.82 1.97 1.75 -1.26 -5.05 119.30 118.82 1r8s s MET 208 Ca 0.74 1.71 -0.11 0.00 -1.25 0.00 0.00 55.69 56.77 1r8s s MET 208 Cb -0.36 -3.38 0.11 0.00 2.84 0.00 0.00 34.83 34.04 1r8s s MET 208 CO 0.50 -0.23 1.17 0.20 -0.65 0.00 0.00 175.02 176.00 1r8s s GLY 209 N 1.08 1.67 0.16 2.11 0.00 -1.26 -4.90 107.32 106.17 1r8s s GLY 209 Ca 0.57 -0.89 -0.16 0.00 0.00 0.00 0.00 44.72 44.25 1r8s s GLY 209 CO 0.29 -0.35 1.72 -2.00 0.00 0.00 0.00 173.10 172.76 1r8s h LEU 210 N -1.07 -0.00 -0.75 0.66 5.85 -1.99 -1.87 115.31 116.14 1r8s h LEU 210 Ca -0.45 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.40 1r8s h LEU 210 Cb 1.30 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.37 1r8s h LEU 210 CO 0.57 0.03 0.44 -0.33 -0.34 0.00 0.00 178.44 178.82 1r8s h GLU 211 N 0.20 0.79 -0.44 1.25 5.08 -1.99 0.04 114.58 119.50 1r8s h GLU 211 Ca 0.19 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 1r8s h GLU 211 Cb 0.22 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1r8s h GLU 211 CO -0.25 0.53 -0.10 -0.09 -1.00 0.00 0.00 179.01 178.09 1r8s h ARG 212 N 0.82 0.79 -0.45 2.33 2.43 -1.84 -1.37 114.38 117.09 1r8s h ARG 212 Ca 0.33 -0.26 -0.10 0.00 -0.81 0.00 0.00 59.98 59.14 1r8s h ARG 212 Cb 0.17 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1r8s h ARG 212 CO -0.17 0.86 -0.11 0.35 -1.51 0.00 0.00 179.97 179.39 1r8s h PHE 213 N 0.71 0.98 -0.64 2.20 3.57 -0.63 -1.21 116.94 121.92 1r8s h PHE 213 Ca 0.12 -0.21 0.03 0.00 3.53 0.00 0.00 57.97 61.44 1r8s h PHE 213 Cb 0.59 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 1r8s h PHE 213 CO 0.03 0.97 0.39 0.28 -2.23 0.00 0.00 178.31 177.75 1r8s h VAL 214 N 0.71 1.06 -0.23 1.41 2.07 -0.82 -2.39 116.25 118.07 1r8s h VAL 214 Ca 0.11 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 1r8s h VAL 214 Cb 0.66 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1r8s h VAL 214 CO 0.05 0.14 -0.17 0.00 0.02 0.00 0.00 177.57 177.60 1r8s h ALA 215 N 1.29 1.29 0.00 1.67 0.00 -1.04 -2.79 119.26 119.68 1r8s h ALA 215 Ca 0.26 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1r8s h ALA 215 Cb 0.05 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1r8s h ALA 215 CO -0.12 0.47 -0.14 1.98 0.00 0.00 0.00 179.25 181.44 1r8s h MET 216 N 0.36 0.00 -0.14 0.00 -1.53 -0.69 -2.47 114.93 110.46 1r8s h MET 216 Ca 0.06 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.32 1r8s h MET 216 Cb 0.52 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.57 1r8s h MET 216 CO 0.03 0.14 0.00 0.09 0.14 0.00 0.00 176.91 177.32 1r8s n ASN 217 N -4.37 2.05 -4.76 1.39 3.02 -1.06 -4.96 115.26 106.57 1r8s n ASN 217 Ca -0.03 -1.73 -0.41 0.00 -0.03 0.00 0.00 54.58 52.38 1r8s n ASN 217 Cb 0.21 -0.08 -0.01 0.00 -0.61 0.00 0.00 39.78 39.29 1r8s n ASN 217 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1r8s n ARG 218 N 0.58 2.71 0.00 3.52 1.85 -0.93 -2.87 116.66 121.52 1r8s n ARG 218 Ca 0.17 0.95 0.00 0.00 -1.00 0.00 0.00 57.85 57.98 1r8s n ARG 218 Cb 0.41 -2.71 0.00 0.00 -1.05 0.00 0.00 32.46 29.11 1r8s n ARG 218 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1r8s n GLY 219 N 1.23 1.59 0.02 2.89 0.00 -0.95 -4.91 105.19 105.06 1r8s n GLY 219 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.20 1r8s n GLY 219 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1r8s n ILE 220 N -2.00 0.00 -2.48 -0.61 -5.35 -0.96 -1.83 119.36 106.13 1r8s n ILE 220 Ca 0.00 -0.01 -0.43 0.00 -0.27 0.00 0.00 62.75 62.04 1r8s n ILE 220 Cb 0.00 -0.33 0.00 0.00 -1.74 0.00 0.00 39.64 37.57 1r8s n ILE 220 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1r8s n ASN 221 N -1.33 5.07 -4.19 7.28 5.15 -0.24 -4.49 115.26 122.51 1r8s n ASN 221 Ca 0.10 -3.06 -0.29 0.00 -0.60 0.00 0.00 54.58 50.73 1r8s n ASN 221 Cb 0.30 -1.52 -0.07 0.00 -0.53 0.00 0.00 39.78 37.96 1r8s n ASN 221 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1r8s n GLU 222 N 4.55 -1.77 0.00 1.20 -0.58 -1.26 -1.33 120.64 121.46 1r8s n GLU 222 Ca 0.40 0.20 0.00 0.00 -0.42 0.00 0.00 57.16 57.34 1r8s n GLU 222 Cb 0.38 -3.92 0.00 0.00 -0.57 0.00 0.00 31.44 27.33 1r8s n GLU 222 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1r8s n GLY 223 N -2.36 3.44 0.00 0.62 0.00 -0.76 -5.02 105.19 101.11 1r8s n GLY 223 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1r8s n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r8s n GLY 224 N -1.81 3.78 3.76 -0.02 0.00 -0.44 -4.51 105.19 105.94 1r8s n GLY 224 Ca 0.00 -2.09 -0.29 0.00 0.00 0.00 0.00 46.02 43.64 1r8s n GLY 224 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1r8s s ASP 225 N -0.52 5.40 0.60 1.61 1.01 -1.26 -1.08 116.67 122.42 1r8s s ASP 225 Ca 0.00 -0.10 -0.10 0.00 0.71 0.00 0.00 52.55 53.06 1r8s s ASP 225 Cb 0.00 -1.39 -0.04 0.00 1.01 0.00 0.00 42.92 42.50 1r8s s ASP 225 CO 0.00 0.13 0.99 -0.76 0.21 0.00 0.00 175.17 175.75 1r8s s LEU 226 N -2.65 3.30 0.28 1.23 1.43 -1.26 -4.78 118.68 116.21 1r8s s LEU 226 Ca 0.29 1.36 -0.30 0.00 -1.03 0.00 0.00 54.13 54.45 1r8s s LEU 226 Cb -0.11 -4.39 -0.11 0.00 0.03 0.00 0.00 46.19 41.61 1r8s s LEU 226 CO 0.22 -0.82 1.56 -2.84 0.23 0.00 0.00 176.35 174.69 1r8s s PRO 227 N -5.09 4.16 0.32 1.29 0.02 -1.26 -4.90 135.00 129.54 1r8s s PRO 227 Ca 0.54 2.50 0.03 0.00 0.02 0.00 0.00 61.00 64.10 1r8s s PRO 227 Cb -0.11 -3.05 0.62 0.00 0.02 0.00 0.00 34.50 31.98 1r8s s PRO 227 CO 0.52 -0.58 1.90 0.93 -0.33 0.00 0.00 177.00 179.44 1r8s h GLU 228 N 5.01 0.89 -0.72 5.54 5.08 -1.99 -2.06 114.58 126.33 1r8s h GLU 228 Ca -0.46 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 57.81 1r8s h GLU 228 Cb 1.22 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.23 1r8s h GLU 228 CO 0.80 0.59 0.34 1.49 -1.00 0.00 0.00 179.01 181.22 1r8s h GLU 229 N 0.92 1.03 -0.15 2.33 4.81 -1.99 0.13 114.58 121.66 1r8s h GLU 229 Ca 0.40 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 1r8s h GLU 229 Cb 0.35 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1r8s h GLU 229 CO -0.17 0.80 0.07 1.25 -0.73 0.00 0.00 179.01 180.23 1r8s h LEU 230 N 1.02 0.20 -0.90 1.64 5.85 -1.76 -1.43 115.31 119.93 1r8s h LEU 230 Ca 0.25 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 1r8s h LEU 230 Cb 0.12 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1r8s h LEU 230 CO -0.03 0.27 0.15 -0.07 -0.34 0.00 0.00 178.44 178.42 1r8s h LEU 231 N 0.11 0.90 -0.57 2.25 3.38 -1.15 -1.68 115.31 118.54 1r8s h LEU 231 Ca 0.05 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1r8s h LEU 231 Cb 0.13 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1r8s h LEU 231 CO -0.01 0.88 0.24 -0.09 0.09 0.00 0.00 178.44 179.55 1r8s h ARG 232 N 0.92 0.85 -0.67 1.13 2.43 -0.64 -0.08 114.38 118.32 1r8s h ARG 232 Ca 0.20 -0.15 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 1r8s h ARG 232 Cb 0.33 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 1r8s h ARG 232 CO 0.00 0.73 0.15 -0.91 -1.51 0.00 0.00 179.97 178.43 1r8s h ASN 233 N 0.79 1.02 -0.17 -3.80 2.35 -0.74 0.07 115.58 115.09 1r8s h ASN 233 Ca 0.19 -0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.66 1r8s h ASN 233 Cb 0.19 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 1r8s h ASN 233 CO -0.02 0.98 -0.15 -0.07 -1.65 0.00 0.00 177.43 176.53 1r8s h LEU 234 N 1.02 0.42 -0.03 1.61 3.38 -1.15 -2.39 115.31 118.15 1r8s h LEU 234 Ca 0.21 -0.47 0.02 0.00 0.09 0.00 0.00 57.88 57.73 1r8s h LEU 234 Cb 0.37 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1r8s h LEU 234 CO 0.00 0.80 -0.07 0.22 0.09 0.00 0.00 178.44 179.49 1r8s h TYR 235 N 0.04 -0.16 -0.93 1.13 3.20 -0.83 -2.16 116.97 117.26 1r8s h TYR 235 Ca 0.03 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.93 1r8s h TYR 235 Cb 0.67 0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.97 1r8s h TYR 235 CO 0.08 -0.10 0.61 -0.44 -1.64 0.00 0.00 178.16 176.67 1r8s h ASP 236 N -0.10 1.03 -0.32 -2.11 3.32 -0.98 -0.30 116.42 116.96 1r8s h ASP 236 Ca 0.04 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 1r8s h ASP 236 Cb 0.15 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1r8s h ASP 236 CO -0.09 0.73 0.05 -1.28 -1.72 0.00 0.00 179.24 176.93 1r8s h SER 237 N 1.21 0.51 -0.46 6.45 0.87 -1.08 -1.50 113.55 119.55 1r8s h SER 237 Ca 0.36 -0.26 -0.13 0.00 -1.23 0.00 0.00 61.79 60.53 1r8s h SER 237 Cb -0.06 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.76 1r8s h SER 237 CO -0.09 0.64 -0.22 0.40 -0.53 0.00 0.00 176.83 177.02 1r8s h ILE 238 N 0.35 1.27 -0.73 2.23 1.08 -1.18 -1.30 117.51 119.24 1r8s h ILE 238 Ca 0.10 -1.38 -0.02 0.00 -0.39 0.00 0.00 64.86 63.17 1r8s h ILE 238 Cb 0.35 1.18 -0.03 0.00 -3.07 0.00 0.00 36.82 35.24 1r8s h ILE 238 CO 0.01 0.47 0.38 -0.09 -0.69 0.00 0.00 178.15 178.22 1r8s h ARG 239 N 0.80 1.03 -0.01 2.37 2.43 -0.95 -2.94 114.38 117.10 1r8s h ARG 239 Ca 0.10 -0.13 -0.16 0.00 -0.81 0.00 0.00 59.98 58.98 1r8s h ARG 239 Cb 0.79 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 1r8s h ARG 239 CO 0.07 0.79 -0.73 -0.97 -1.51 0.00 0.00 179.97 177.62 1r8s h ASN 240 N 1.01 0.09 -2.48 -3.80 -0.73 -1.16 -3.42 115.58 105.08 1r8s h ASN 240 Ca 0.25 -0.06 -0.34 0.00 1.87 0.00 0.00 56.30 58.02 1r8s h ASN 240 Cb 0.07 -0.03 -0.36 0.00 0.27 0.00 0.00 38.32 38.28 1r8s h ASN 240 CO -0.04 0.78 -0.64 -0.70 -0.37 0.00 0.00 177.43 176.46 1r8s s GLU 241 N -3.41 0.21 0.87 6.67 2.12 -0.50 -5.10 118.70 119.56 1r8s s GLU 241 Ca -0.02 0.07 -0.11 0.00 0.36 0.00 0.00 54.97 55.27 1r8s s GLU 241 Cb 0.12 -1.11 0.12 0.00 0.26 0.00 0.00 34.13 33.52 1r8s s GLU 241 CO 0.79 -0.76 1.16 -2.14 -0.54 0.00 0.00 175.26 173.77 1r8s s PRO 242 N 2.31 1.26 0.10 4.30 0.02 -1.22 -4.34 135.00 137.43 1r8s s PRO 242 Ca 0.07 1.60 -0.33 0.00 0.02 0.00 0.00 61.00 62.37 1r8s s PRO 242 Cb -0.15 -1.75 -0.12 0.00 0.02 0.00 0.00 34.50 32.50 1r8s s PRO 242 CO -0.18 -2.47 1.77 1.19 -0.33 0.00 0.00 177.00 176.98 1r8s n PHE 243 N -3.91 2.49 -2.27 6.54 3.72 -1.26 -4.92 117.46 117.84 1r8s n PHE 243 Ca 0.12 -0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.12 1r8s n PHE 243 Cb 0.52 -2.67 -0.03 0.00 -0.94 0.00 0.00 39.48 36.36 1r8s n PHE 243 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1r8s s LYS 244 N 2.39 4.36 -0.27 -1.08 1.02 -1.26 -4.96 119.74 119.93 1r8s s LYS 244 Ca 0.83 1.99 -0.29 0.00 0.02 0.00 0.00 55.97 58.51 1r8s s LYS 244 Cb -0.57 -3.00 -0.01 0.00 -0.52 0.00 0.00 37.83 33.73 1r8s s LYS 244 CO 0.40 -0.10 1.41 0.42 -0.92 0.00 0.00 175.35 176.55 1r8s s ILE 245 N -1.22 3.99 0.43 2.17 -1.09 -1.26 -4.90 121.20 119.32 1r8s s ILE 245 Ca 0.50 1.12 -0.26 0.00 -2.23 0.00 0.00 60.65 59.78 1r8s s ILE 245 Cb -0.35 -4.01 -0.09 0.00 -1.58 0.00 0.00 42.46 36.43 1r8s s ILE 245 CO 0.45 -0.42 1.39 -2.65 -1.23 0.00 0.00 174.94 172.49 1r8s n PRO 246 N 7.43 2.23 -4.27 2.79 -0.02 -1.26 -5.01 135.00 136.89 1r8s n PRO 246 Ca 0.16 0.79 -0.34 0.00 -2.02 0.00 0.00 63.50 62.09 1r8s n PRO 246 Cb 0.46 -2.56 -0.10 0.00 -0.02 0.00 0.00 33.50 31.28 1r8s n PRO 246 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1r8s s GLU 247 N -2.31 3.49 0.00 -0.52 0.41 -1.26 -4.96 118.70 113.55 1r8s s GLU 247 Ca 0.60 -0.42 0.00 0.00 -0.41 0.00 0.00 54.97 54.74 1r8s s GLU 247 Cb -0.47 -2.96 0.00 0.00 -1.78 0.00 0.00 34.13 28.92 1r8s s GLU 247 CO 0.59 0.44 0.39 -0.40 -0.49 0.00 0.00 175.26 175.79