#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cpm s SER 38 N 0.00 7.03 0.10 1.61 0.01 -1.26 -4.94 113.70 116.25 2cpm s SER 38 Ca 0.00 2.11 -0.16 0.00 1.31 0.00 0.00 55.95 59.21 2cpm s SER 38 Cb 0.00 -2.58 -0.07 0.00 0.21 0.00 0.00 66.02 63.58 2cpm s SER 38 CO 0.00 -0.49 1.49 0.77 0.41 0.00 0.00 173.24 175.41 2cpm h SER 39 N 6.59 0.63 0.00 2.44 4.64 -2.07 -3.46 113.55 122.32 2cpm h SER 39 Ca -0.42 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 60.52 2cpm h SER 39 Cb 1.21 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2cpm h SER 39 CO 0.81 0.87 0.00 0.61 -0.87 0.00 0.00 176.83 178.25 2cpm n GLY 40 N -0.12 3.99 3.93 -0.77 0.00 -1.26 -5.13 105.19 105.82 2cpm n GLY 40 Ca -0.03 -1.72 -0.25 0.00 0.00 0.00 0.00 46.02 44.02 2cpm n GLY 40 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cpm s SER 41 N 0.28 6.20 -0.15 1.61 1.04 -1.26 -5.01 113.70 116.41 2cpm s SER 41 Ca 0.00 0.60 -0.29 0.00 0.48 0.00 0.00 55.95 56.74 2cpm s SER 41 Cb 0.00 -2.03 -0.05 0.00 0.10 0.00 0.00 66.02 64.04 2cpm s SER 41 CO 0.00 -0.47 1.86 -0.94 0.98 0.00 0.00 173.24 174.67 2cpm s SER 42 N -4.09 6.18 0.00 7.02 1.04 -1.26 -4.50 113.70 118.08 2cpm s SER 42 Ca 0.44 1.97 0.00 0.00 0.48 0.00 0.00 55.95 58.84 2cpm s SER 42 Cb -0.10 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.49 2cpm s SER 42 CO 0.40 -1.37 0.00 0.61 0.98 0.00 0.00 173.24 173.85 2cpm n GLY 43 N 4.89 0.57 0.65 7.32 0.00 -1.26 -5.02 105.19 112.33 2cpm n GLY 43 Ca 0.22 -0.36 0.05 0.00 0.00 0.00 0.00 46.02 45.93 2cpm n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cpm n GLN 44 N 0.00 1.83 0.07 1.61 0.00 -1.26 -3.99 117.38 115.63 2cpm n GLN 44 Ca 0.00 -1.24 -0.21 0.00 0.00 0.00 0.00 57.00 55.56 2cpm n GLN 44 Cb 0.00 -1.29 -0.15 0.00 0.00 0.00 0.00 30.24 28.81 2cpm n GLN 44 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 2cpm h LYS 45 N 1.99 0.34 -0.70 2.61 1.57 -1.97 -3.35 116.57 117.08 2cpm h LYS 45 Ca 0.00 -0.59 0.07 0.00 -1.87 0.00 0.00 60.65 58.27 2cpm h LYS 45 Cb 0.48 0.22 -0.09 0.00 0.08 0.00 0.00 32.23 32.92 2cpm h LYS 45 CO 0.01 1.28 -0.38 0.28 -0.57 0.00 0.00 179.45 180.07 2cpm n VAL 46 N -4.05 -0.45 0.16 0.50 0.31 -1.26 0.01 118.33 113.55 2cpm n VAL 46 Ca -0.14 1.67 -0.15 0.00 -0.01 0.00 0.00 64.34 65.71 2cpm n VAL 46 Cb 0.87 -2.10 -0.07 0.00 -0.91 0.00 0.00 33.84 31.63 2cpm n VAL 46 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2cpm h GLU 47 N 0.00 -0.66 -0.14 5.55 5.08 -1.86 -2.11 114.58 120.44 2cpm h GLU 47 Ca 0.14 0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.58 2cpm h GLU 47 Cb 0.31 0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.65 2cpm h GLU 47 CO -0.66 -0.44 -0.46 0.35 -1.00 0.00 0.00 179.01 176.79 2cpm h PHE 48 N -0.69 -1.34 -0.71 4.33 3.57 -0.54 -2.20 116.94 119.36 2cpm h PHE 48 Ca 0.00 0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.66 2cpm h PHE 48 Cb 0.68 0.60 -0.12 0.00 2.79 0.00 0.00 35.95 39.91 2cpm h PHE 48 CO -0.30 -0.50 -0.45 -0.09 -2.23 0.00 0.00 178.31 174.73 2cpm h ARG 49 N -0.52 -0.15 -0.53 1.11 2.43 -0.38 -0.16 114.38 116.18 2cpm h ARG 49 Ca 0.06 0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.34 2cpm h ARG 49 Cb 0.65 0.03 -0.11 0.00 -0.42 0.00 0.00 29.97 30.13 2cpm h ARG 49 CO -0.42 -0.10 -0.34 0.87 -1.51 0.00 0.00 179.97 178.47 2cpm h LYS 50 N -0.16 -0.19 -0.10 0.20 1.57 -0.79 -1.10 116.57 116.00 2cpm h LYS 50 Ca 0.20 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.03 2cpm h LYS 50 Cb 0.55 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.84 2cpm h LYS 50 CO -0.78 -0.13 -0.42 -0.09 -0.57 0.00 0.00 179.45 177.46 2cpm h ARG 51 N -0.20 -0.50 -0.85 3.15 2.43 -0.55 -1.03 114.38 116.83 2cpm h ARG 51 Ca 0.21 0.03 0.20 0.00 -0.81 0.00 0.00 59.98 59.61 2cpm h ARG 51 Cb 0.55 0.11 -0.12 0.00 -0.42 0.00 0.00 29.97 30.09 2cpm h ARG 51 CO -0.63 -0.33 0.32 0.52 -1.51 0.00 0.00 179.97 178.33 2cpm h MET 52 N -0.52 0.34 -0.36 0.20 2.86 -0.37 0.18 114.93 117.26 2cpm h MET 52 Ca 0.07 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.73 2cpm h MET 52 Cb 0.64 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.17 2cpm h MET 52 CO -0.38 0.22 0.09 0.93 1.06 0.00 0.00 176.91 178.84 2cpm h GLU 53 N 0.35 0.22 -0.11 1.72 5.08 -0.01 0.22 114.58 122.05 2cpm h GLU 53 Ca 0.52 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.84 2cpm h GLU 53 Cb 0.96 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 2cpm h GLU 53 CO -0.54 0.14 -0.02 -0.22 -1.00 0.00 0.00 179.01 177.38 2cpm h LYS 54 N 0.22 0.21 0.25 2.33 1.63 -0.31 -2.38 116.57 118.52 2cpm h LYS 54 Ca 0.17 -0.08 0.01 0.00 -0.85 0.00 0.00 60.65 59.90 2cpm h LYS 54 Cb 0.18 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.77 2cpm h LYS 54 CO -0.20 0.50 -0.28 0.93 -3.45 0.00 0.00 179.45 176.94 2cpm h GLU 55 N -0.09 -0.55 0.13 1.90 4.39 -0.47 -1.30 114.58 118.59 2cpm h GLU 55 Ca 0.03 0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.78 2cpm h GLU 55 Cb 0.41 0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.15 2cpm h GLU 55 CO 0.01 -0.37 -0.48 0.28 -1.16 0.00 0.00 179.01 177.29 2cpm h VAL 56 N -0.57 0.00 -0.31 3.13 2.07 -0.60 -1.81 116.25 118.16 2cpm h VAL 56 Ca -0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 2cpm h VAL 56 Cb 0.54 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.24 2cpm h VAL 56 CO -0.08 0.00 -0.50 -1.28 0.02 0.00 0.00 177.57 175.73 2cpm h SER 57 N -0.70 -1.65 -0.98 0.57 0.87 -1.35 0.13 113.55 110.44 2cpm h SER 57 Ca -0.01 0.21 0.33 0.00 -1.23 0.00 0.00 61.79 61.09 2cpm h SER 57 Cb 0.69 0.67 -0.16 0.00 -0.44 0.00 0.00 62.40 63.16 2cpm h SER 57 CO -0.25 -0.38 0.48 -0.78 -0.53 0.00 0.00 176.83 175.37 2cpm h ASP 58 N -0.40 0.33 -0.28 6.23 3.58 -1.04 0.48 116.42 125.32 2cpm h ASP 58 Ca 0.06 0.21 -0.07 0.00 0.42 0.00 0.00 57.03 57.65 2cpm h ASP 58 Cb 0.55 0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.81 2cpm h ASP 58 CO -0.50 -0.23 -0.12 0.15 -2.88 0.00 0.00 179.24 175.66 2cpm h PHE 59 N 0.21 0.65 -0.04 0.28 3.04 0.05 -2.12 116.94 119.01 2cpm h PHE 59 Ca 0.73 -0.16 0.04 0.00 3.98 0.00 0.00 57.97 62.55 2cpm h PHE 59 Cb 1.70 -0.15 -0.05 0.00 2.56 0.00 0.00 35.95 40.01 2cpm h PHE 59 CO -0.08 0.81 -0.24 0.82 -2.02 0.00 0.00 178.31 177.60 2cpm h ILE 60 N 0.31 0.44 -0.57 1.41 2.04 0.19 -2.41 117.51 118.93 2cpm h ILE 60 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 2cpm h ILE 60 Cb 0.63 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 2cpm h ILE 60 CO 0.04 0.00 0.37 1.56 0.00 0.00 0.00 178.15 180.12 2cpm h GLN 61 N -0.35 0.75 -6.03 2.37 4.20 -1.33 -3.41 115.11 111.32 2cpm h GLN 61 Ca 0.07 -0.05 -0.60 0.00 0.06 0.00 0.00 58.65 58.14 2cpm h GLN 61 Cb 0.45 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 2cpm h GLN 61 CO -0.24 0.51 1.45 -0.25 -0.67 0.00 0.00 178.83 179.62 2cpm n ASP 62 N -4.68 3.19 0.12 1.46 9.92 -0.80 -4.83 116.55 120.93 2cpm n ASP 62 Ca 0.04 0.32 -0.01 0.00 -0.53 0.00 0.00 54.79 54.61 2cpm n ASP 62 Cb 0.02 -1.51 0.05 0.00 -0.64 0.00 0.00 41.12 39.04 2cpm n ASP 62 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 2cpm h SER 63 N 14.07 0.00 -0.06 -2.24 4.64 -1.81 -3.23 113.55 124.92 2cpm h SER 63 Ca -0.40 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.83 2cpm h SER 63 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 2cpm h SER 63 CO 0.97 0.69 -0.21 1.23 -0.87 0.00 0.00 176.83 178.64 2cpm h GLY 64 N 2.79 0.49 -5.96 -0.77 0.00 -1.93 -3.41 103.07 94.28 2cpm h GLY 64 Ca -0.01 -0.38 -0.60 0.00 0.00 0.00 0.00 47.33 46.35 2cpm h GLY 64 CO 0.09 0.35 0.35 1.20 0.00 0.00 0.00 176.54 178.53 2cpm s GLN 65 N -4.56 4.17 -0.15 4.80 -0.21 -1.22 -4.91 119.66 117.57 2cpm s GLN 65 Ca -0.07 0.81 0.18 0.00 0.02 0.00 0.00 55.36 56.30 2cpm s GLN 65 Cb 0.14 -3.64 -0.25 0.00 1.00 0.00 0.00 33.01 30.26 2cpm s GLN 65 CO 0.78 -0.46 0.15 0.44 -2.12 0.00 0.00 175.29 174.08 2cpm n ILE 66 N 5.16 1.02 -3.91 1.08 -5.35 -1.26 -4.91 119.36 111.20 2cpm n ILE 66 Ca 0.03 -0.73 -0.11 0.00 -0.27 0.00 0.00 62.75 61.67 2cpm n ILE 66 Cb 0.48 -0.38 -0.11 0.00 -1.74 0.00 0.00 39.64 37.88 2cpm n ILE 66 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 2cpm s LYS 67 N -2.66 0.29 -0.14 6.28 -2.85 -1.26 -2.34 119.74 117.05 2cpm s LYS 67 Ca -0.09 -0.32 -0.00 0.00 -1.00 0.00 0.00 55.97 54.56 2cpm s LYS 67 Cb 0.07 0.11 0.03 0.00 -2.06 0.00 0.00 37.83 35.98 2cpm s LYS 67 CO 0.79 -0.06 -0.08 0.21 0.10 0.00 0.00 175.35 176.31 2cpm s LYS 68 N -0.95 1.69 -0.10 1.78 2.20 -0.61 -5.00 119.74 118.74 2cpm s LYS 68 Ca -0.10 -0.41 -0.13 0.00 -0.36 0.00 0.00 55.97 54.97 2cpm s LYS 68 Cb -0.06 -1.84 -0.05 0.00 -1.51 0.00 0.00 37.83 34.37 2cpm s LYS 68 CO 0.00 -0.31 0.31 0.21 -0.36 0.00 0.00 175.35 175.20 2cpm s LYS 69 N 1.63 4.02 -0.04 4.03 2.20 -1.26 -1.51 119.74 128.81 2cpm s LYS 69 Ca 0.04 0.17 0.06 0.00 -0.36 0.00 0.00 55.97 55.88 2cpm s LYS 69 Cb -0.13 -3.32 -0.02 0.00 -1.51 0.00 0.00 37.83 32.84 2cpm s LYS 69 CO -0.09 0.46 -0.20 -0.06 -0.36 0.00 0.00 175.35 175.11 2cpm s PHE 70 N -0.25 2.54 0.13 4.03 0.08 0.29 -5.01 117.98 119.79 2cpm s PHE 70 Ca 0.19 -0.28 -0.25 0.00 0.12 0.00 0.00 56.93 56.70 2cpm s PHE 70 Cb -0.14 -1.57 -0.07 0.00 -0.57 0.00 0.00 43.02 40.67 2cpm s PHE 70 CO 0.07 0.09 0.78 -1.14 -0.10 0.00 0.00 175.22 174.92 2cpm s GLN 71 N -0.68 4.55 -1.15 0.44 0.74 -1.26 -2.87 119.66 119.43 2cpm s GLN 71 Ca 0.11 1.14 -0.23 0.00 0.05 0.00 0.00 55.36 56.43 2cpm s GLN 71 Cb -0.10 -3.29 -0.08 0.00 1.10 0.00 0.00 33.01 30.63 2cpm s GLN 71 CO -0.00 0.49 1.94 -1.25 -0.55 0.00 0.00 175.29 175.92 2cpm s PRO 72 N -0.85 2.50 0.02 1.67 0.04 -1.26 -4.72 135.00 132.40 2cpm s PRO 72 Ca 0.37 -1.06 -0.19 0.00 0.04 0.00 0.00 61.00 60.16 2cpm s PRO 72 Cb -0.22 -5.22 -0.22 0.00 0.04 0.00 0.00 34.50 28.87 2cpm s PRO 72 CO 0.25 -3.91 1.13 0.52 0.04 0.00 0.00 177.00 175.04 2cpm h MET 73 N 9.92 0.46 -5.07 4.56 2.86 -1.93 -3.48 114.93 122.26 2cpm h MET 73 Ca 0.20 -0.47 -0.56 0.00 -2.06 0.00 0.00 59.70 56.81 2cpm h MET 73 Cb 0.95 0.13 -0.13 0.00 0.06 0.00 0.00 31.60 32.60 2cpm h MET 73 CO 1.22 1.12 -0.52 1.21 1.06 0.00 0.00 176.91 181.00 2cpm s ASN 74 N -6.79 2.84 -0.05 1.22 2.47 -1.26 -5.07 114.94 108.29 2cpm s ASN 74 Ca -0.13 -1.64 -0.03 0.00 0.42 0.00 0.00 52.86 51.48 2cpm s ASN 74 Cb 0.04 0.45 -0.27 0.00 -1.45 0.00 0.00 41.25 40.02 2cpm s ASN 74 CO 0.83 -0.89 0.65 0.50 -3.72 0.00 0.00 177.10 174.48 2cpm h LYS 75 N 1.79 0.24 0.14 0.43 3.64 -1.99 -3.39 116.57 117.43 2cpm h LYS 75 Ca -0.36 -0.42 -0.35 0.00 -1.27 0.00 0.00 60.65 58.24 2cpm h LYS 75 Cb 1.27 0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 33.24 2cpm h LYS 75 CO 0.59 1.09 -1.89 0.82 -2.27 0.00 0.00 179.45 177.79 2cpm h ILE 76 N 0.07 0.75 -0.87 2.00 1.08 -2.02 -3.37 117.51 115.15 2cpm h ILE 76 Ca -0.32 -2.43 0.36 0.00 -0.39 0.00 0.00 64.86 62.08 2cpm h ILE 76 Cb 2.04 2.59 -0.15 0.00 -3.07 0.00 0.00 36.82 38.23 2cpm h ILE 76 CO 0.13 0.86 0.48 -0.62 -0.69 0.00 0.00 178.15 178.32 2cpm n GLU 77 N -3.49 -0.05 0.28 2.37 4.71 -1.26 0.46 120.64 123.66 2cpm n GLU 77 Ca -0.28 1.15 -0.17 0.00 -0.01 0.00 0.00 57.16 57.85 2cpm n GLU 77 Cb 1.06 -2.09 -0.09 0.00 -1.01 0.00 0.00 31.44 29.31 2cpm n GLU 77 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 2cpm h ARG 78 N 0.00 -0.85 -0.12 3.49 2.43 -1.76 -0.65 114.38 116.92 2cpm h ARG 78 Ca 0.72 0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.99 2cpm h ARG 78 Cb 1.94 0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 31.63 2cpm h ARG 78 CO -0.62 -0.57 -0.21 1.03 -1.51 0.00 0.00 179.97 178.09 2cpm h SER 79 N -0.88 -0.65 -0.61 -3.80 0.87 -0.22 -1.41 113.55 106.84 2cpm h SER 79 Ca -0.05 0.11 0.12 0.00 -1.23 0.00 0.00 61.79 60.74 2cpm h SER 79 Cb 0.76 0.29 -0.09 0.00 -0.44 0.00 0.00 62.40 62.92 2cpm h SER 79 CO -0.02 -0.26 0.08 0.40 -0.53 0.00 0.00 176.83 176.49 2cpm h ILE 80 N -0.27 0.57 -0.85 2.23 2.04 -1.28 -0.22 117.51 119.72 2cpm h ILE 80 Ca 0.10 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.92 2cpm h ILE 80 Cb 0.42 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 36.80 2cpm h ILE 80 CO -0.28 0.04 0.55 0.25 0.00 0.00 0.00 178.15 178.71 2cpm h LEU 81 N 0.20 0.91 -0.39 1.44 5.85 -0.40 -2.36 115.31 120.57 2cpm h LEU 81 Ca 0.32 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.09 2cpm h LEU 81 Cb 0.51 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 2cpm h LEU 81 CO -0.46 0.63 0.10 0.45 -0.34 0.00 0.00 178.44 178.82 2cpm h HIS 82 N 1.07 0.18 -0.33 1.25 3.86 -0.00 -1.23 115.15 119.94 2cpm h HIS 82 Ca 0.34 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.59 2cpm h HIS 82 Cb 0.01 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 2cpm h HIS 82 CO -0.02 0.05 0.17 0.22 0.86 0.00 0.00 177.93 179.21 2cpm h ASP 83 N 0.24 0.26 -0.80 2.45 3.58 -0.95 -0.78 116.42 120.43 2cpm h ASP 83 Ca 0.18 0.01 0.06 0.00 0.42 0.00 0.00 57.03 57.70 2cpm h ASP 83 Cb 0.20 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.15 2cpm h ASP 83 CO -0.22 0.19 0.52 0.58 -2.88 0.00 0.00 179.24 177.44 2cpm h VAL 84 N 0.36 1.06 0.47 2.25 2.07 -0.93 -1.89 116.25 119.63 2cpm h VAL 84 Ca 0.13 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 2cpm h VAL 84 Cb 0.03 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 2cpm h VAL 84 CO -0.08 0.16 -0.22 0.58 0.02 0.00 0.00 177.57 178.03 2cpm h VAL 85 N 0.90 0.00 -1.25 2.57 2.07 -0.58 -1.86 116.25 118.09 2cpm h VAL 85 Ca 0.34 -0.39 0.36 0.00 0.82 0.00 0.00 66.70 67.83 2cpm h VAL 85 Cb 0.18 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.87 2cpm h VAL 85 CO -0.11 0.00 0.85 1.05 0.02 0.00 0.00 177.57 179.38 2cpm h GLU 86 N -1.02 0.14 -0.07 1.57 4.11 -1.07 0.56 114.58 118.80 2cpm h GLU 86 Ca -0.06 -0.01 -0.25 0.00 0.07 0.00 0.00 59.36 59.11 2cpm h GLU 86 Cb 0.48 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 29.71 2cpm h GLU 86 CO 0.10 0.09 -0.93 0.28 0.07 0.00 0.00 179.01 178.63 2cpm h VAL 87 N 0.14 1.28 -0.22 -1.06 2.07 -1.32 -3.22 116.25 113.93 2cpm h VAL 87 Ca 0.67 -2.12 -0.06 0.00 0.82 0.00 0.00 66.70 66.01 2cpm h VAL 87 Cb 2.26 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 34.22 2cpm h VAL 87 CO -0.19 0.67 -0.12 0.00 0.02 0.00 0.00 177.57 177.94 2cpm h ALA 88 N 0.46 1.40 0.00 1.67 0.00 0.93 -3.47 119.26 120.26 2cpm h ALA 88 Ca -0.10 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2cpm h ALA 88 Cb 1.58 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2cpm h ALA 88 CO 0.19 0.42 0.00 0.41 0.00 0.00 0.00 179.25 180.26 2cpm n GLY 89 N -0.78 1.31 3.44 0.00 0.00 -0.33 -5.10 105.19 103.72 2cpm n GLY 89 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2cpm n GLY 89 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cpm s LEU 90 N 0.00 2.34 -0.17 0.99 1.43 -1.18 -4.75 118.68 117.34 2cpm s LEU 90 Ca 0.00 -1.29 -0.19 0.00 -1.03 0.00 0.00 54.13 51.61 2cpm s LEU 90 Cb 0.00 -0.49 -0.03 0.00 0.03 0.00 0.00 46.19 45.69 2cpm s LEU 90 CO 0.00 -0.49 0.55 -0.89 0.23 0.00 0.00 176.35 175.75 2cpm s THR 91 N -3.17 5.10 0.14 5.49 2.01 -0.73 -4.22 115.64 120.25 2cpm s THR 91 Ca 0.33 1.06 0.08 0.00 0.31 0.00 0.00 61.69 63.47 2cpm s THR 91 Cb 0.07 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 2cpm s THR 91 CO 0.14 0.20 -0.08 -0.94 -0.69 0.00 0.00 174.62 173.24 2cpm s SER 92 N 1.01 4.42 0.15 3.53 1.04 -1.26 -0.22 113.70 122.36 2cpm s SER 92 Ca 0.27 -0.44 -0.24 0.00 0.48 0.00 0.00 55.95 56.02 2cpm s SER 92 Cb -0.16 -0.83 0.07 0.00 0.10 0.00 0.00 66.02 65.20 2cpm s SER 92 CO 0.11 0.14 0.69 -0.36 0.98 0.00 0.00 173.24 174.80 2cpm s PHE 93 N -1.44 -0.43 -0.12 5.02 0.08 -0.45 -4.97 117.98 115.66 2cpm s PHE 93 Ca 0.23 0.19 0.02 0.00 0.12 0.00 0.00 56.93 57.49 2cpm s PHE 93 Cb -0.10 0.58 0.01 0.00 -0.57 0.00 0.00 43.02 42.95 2cpm s PHE 93 CO 0.15 -0.85 -0.17 -1.12 -0.10 0.00 0.00 175.22 173.13 2cpm s SER 94 N -2.73 2.69 -0.06 1.36 0.01 -1.26 -1.03 113.70 112.68 2cpm s SER 94 Ca 0.04 -0.49 -0.00 0.00 1.31 0.00 0.00 55.95 56.80 2cpm s SER 94 Cb -0.02 -1.22 0.02 0.00 0.21 0.00 0.00 66.02 65.02 2cpm s SER 94 CO -0.08 0.02 -0.02 -0.36 0.41 0.00 0.00 173.24 173.21 2cpm s PHE 95 N 1.01 0.73 0.02 2.43 0.08 -0.66 -4.97 117.98 116.63 2cpm s PHE 95 Ca -0.05 -0.21 0.01 0.00 0.12 0.00 0.00 56.93 56.80 2cpm s PHE 95 Cb -0.15 -0.74 -0.02 0.00 -0.57 0.00 0.00 43.02 41.55 2cpm s PHE 95 CO -0.03 -0.26 -0.05 0.20 -0.10 0.00 0.00 175.22 174.98 2cpm s GLY 96 N 1.40 0.32 -0.04 4.36 0.00 -1.26 -2.71 107.32 109.39 2cpm s GLY 96 Ca -0.03 -0.56 -0.22 0.00 0.00 0.00 0.00 44.72 43.91 2cpm s GLY 96 CO -0.03 -0.60 0.92 -2.09 0.00 0.00 0.00 173.10 171.31 2cpm h GLU 97 N 4.89 0.31 -6.52 2.90 4.81 -1.97 -3.46 114.58 115.55 2cpm h GLU 97 Ca -0.32 -0.48 -0.69 0.00 -0.13 0.00 0.00 59.36 57.73 2cpm h GLU 97 Cb 1.21 0.17 -0.24 0.00 0.63 0.00 0.00 28.75 30.51 2cpm h GLU 97 CO 0.43 1.21 -0.82 0.34 -0.73 0.00 0.00 179.01 179.44 2cpm s ASP 98 N -6.91 3.66 0.26 1.04 -1.08 -1.16 -5.02 116.67 107.46 2cpm s ASP 98 Ca -0.14 -0.38 -0.06 0.00 -0.52 0.00 0.00 52.55 51.46 2cpm s ASP 98 Cb 0.01 -0.60 0.49 0.00 -1.46 0.00 0.00 42.92 41.36 2cpm s ASP 98 CO 0.83 0.30 1.61 0.44 0.52 0.00 0.00 175.17 178.86 2cpm h ASP 99 N 5.01 -0.48 -0.49 -0.34 3.32 -2.04 0.26 116.42 121.65 2cpm h ASP 99 Ca -0.46 0.23 -0.07 0.00 0.02 0.00 0.00 57.03 56.75 2cpm h ASP 99 Cb 1.15 0.42 -0.02 0.00 0.22 0.00 0.00 39.33 41.10 2cpm h ASP 99 CO 0.48 -0.24 0.05 -2.24 -1.72 0.00 0.00 179.24 175.57 2cpm h ASP 100 N 0.06 0.81 -3.29 6.45 2.03 -2.00 -3.39 116.42 117.09 2cpm h ASP 100 Ca 0.45 -0.28 -0.69 0.00 -0.73 0.00 0.00 57.03 55.78 2cpm h ASP 100 Cb 0.81 -0.22 -0.19 0.00 -0.83 0.00 0.00 39.33 38.90 2cpm h ASP 100 CO -0.77 0.89 -0.05 0.00 -1.03 0.00 0.00 179.24 178.28 2cpm s ARG 102 N 2.40 1.07 0.45 0.00 3.52 -1.25 -2.98 118.95 122.16 2cpm s ARG 102 Ca 0.13 -0.68 0.02 0.00 -0.13 0.00 0.00 55.73 55.07 2cpm s ARG 102 Cb -0.20 -2.32 0.00 0.00 -1.56 0.00 0.00 34.95 30.87 2cpm s ARG 102 CO 0.11 -0.63 0.66 1.52 -0.81 0.00 0.00 175.30 176.16 2cpm s TYR 103 N 1.65 3.12 -0.07 5.12 -0.85 -1.10 -4.58 117.35 120.64 2cpm s TYR 103 Ca -0.03 0.10 0.04 0.00 -0.52 0.00 0.00 57.07 56.66 2cpm s TYR 103 Cb -0.18 -2.36 -0.01 0.00 0.38 0.00 0.00 41.96 39.79 2cpm s TYR 103 CO -0.07 -0.41 -0.21 0.54 -1.52 0.00 0.00 175.55 173.88 2cpm s VAL 104 N -2.54 2.43 0.24 -3.49 0.11 -1.14 -1.65 120.40 114.37 2cpm s VAL 104 Ca 0.50 -0.93 0.07 0.00 -2.93 0.00 0.00 61.98 58.70 2cpm s VAL 104 Cb -0.10 -1.93 -0.05 0.00 -1.53 0.00 0.00 36.38 32.77 2cpm s VAL 104 CO 0.37 0.57 -0.11 -0.04 -3.33 0.00 0.00 175.10 172.55 2cpm s MET 105 N -0.17 1.43 0.02 1.54 -1.94 -0.20 -0.54 119.30 119.43 2cpm s MET 105 Ca -0.02 -1.67 -0.00 0.00 -1.71 0.00 0.00 55.69 52.28 2cpm s MET 105 Cb -0.14 -1.16 -0.02 0.00 2.01 0.00 0.00 34.83 35.52 2cpm s MET 105 CO 0.04 0.13 -0.02 0.96 -0.01 0.00 0.00 175.02 176.12 2cpm s ILE 106 N -2.97 0.10 0.28 2.53 -4.36 -0.57 -1.35 121.20 114.86 2cpm s ILE 106 Ca 0.26 -0.81 0.04 0.00 -0.26 0.00 0.00 60.65 59.87 2cpm s ILE 106 Cb 0.01 -0.24 -0.06 0.00 1.25 0.00 0.00 42.46 43.42 2cpm s ILE 106 CO 0.09 -0.45 0.03 -0.36 0.24 0.00 0.00 174.94 174.50 2cpm s PHE 107 N -1.31 1.75 0.51 1.37 0.40 0.70 -1.57 117.98 119.83 2cpm s PHE 107 Ca -0.14 -0.96 -0.02 0.00 -0.60 0.00 0.00 56.93 55.21 2cpm s PHE 107 Cb -0.09 -1.07 0.01 0.00 0.51 0.00 0.00 43.02 42.37 2cpm s PHE 107 CO -0.01 -0.04 0.76 0.15 0.70 0.00 0.00 175.22 176.79 2cpm s LYS 108 N -3.89 2.94 0.21 0.44 1.02 -0.99 -1.78 119.74 117.70 2cpm s LYS 108 Ca 0.33 -0.36 -0.10 0.00 0.02 0.00 0.00 55.97 55.87 2cpm s LYS 108 Cb 0.07 -2.45 0.21 0.00 -0.52 0.00 0.00 37.83 35.14 2cpm s LYS 108 CO 0.12 -0.48 1.84 -0.22 -0.92 0.00 0.00 175.35 175.69 2cpm h LYS 109 N 0.16 0.80 0.20 1.68 3.64 -1.92 1.17 116.57 122.29 2cpm h LYS 109 Ca -0.45 -0.05 -0.34 0.00 -1.27 0.00 0.00 60.65 58.54 2cpm h LYS 109 Cb 1.26 -0.18 0.02 0.00 -0.41 0.00 0.00 32.23 32.92 2cpm h LYS 109 CO 0.58 0.53 -1.63 1.05 -2.27 0.00 0.00 179.45 177.71 2cpm h GLU 110 N 0.82 0.43 -0.70 1.90 4.11 -1.97 -3.29 114.58 115.88 2cpm h GLU 110 Ca 0.29 -0.74 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2cpm h GLU 110 Cb 0.07 0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2cpm h GLU 110 CO -0.13 1.34 0.00 1.19 0.07 0.00 0.00 179.01 181.48 2cpm n PHE 111 N -3.62 0.98 -2.29 2.06 3.72 -1.11 -4.94 117.46 112.26 2cpm n PHE 111 Ca -0.21 -0.36 -0.38 0.00 -0.05 0.00 0.00 57.45 56.46 2cpm n PHE 111 Cb 1.08 -0.25 -0.02 0.00 -0.94 0.00 0.00 39.48 39.35 2cpm n PHE 111 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2cpm s ALA 112 N -1.84 3.08 0.66 4.37 0.00 0.40 -4.20 121.76 124.23 2cpm s ALA 112 Ca 0.28 0.94 -0.15 0.00 0.00 0.00 0.00 51.96 53.03 2cpm s ALA 112 Cb 0.20 -3.38 -0.00 0.00 0.00 0.00 0.00 23.12 19.94 2cpm s ALA 112 CO 0.10 -0.56 1.11 -1.25 0.00 0.00 0.00 175.76 175.16 2cpm s PRO 113 N -2.47 2.82 0.53 0.00 0.04 -1.26 -5.00 135.00 129.66 2cpm s PRO 113 Ca 0.60 1.39 -0.03 0.00 0.04 0.00 0.00 61.00 63.00 2cpm s PRO 113 Cb -0.29 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.30 2cpm s PRO 113 CO 0.36 -1.24 0.80 -1.12 0.04 0.00 0.00 177.00 175.85 2cpm s SER 114 N -2.57 5.72 0.02 6.66 0.01 -1.26 -4.89 113.70 117.40 2cpm s SER 114 Ca 0.67 0.55 -0.10 0.00 1.31 0.00 0.00 55.95 58.38 2cpm s SER 114 Cb -0.20 -1.66 -0.05 0.00 0.21 0.00 0.00 66.02 64.32 2cpm s SER 114 CO 0.41 -0.89 1.15 -0.78 0.41 0.00 0.00 173.24 173.54 2cpm h ASP 115 N 0.08 -0.37 -0.75 2.44 3.58 -1.99 0.48 116.42 119.89 2cpm h ASP 115 Ca -0.46 0.03 0.13 0.00 0.42 0.00 0.00 57.03 57.15 2cpm h ASP 115 Cb 1.25 0.12 -0.09 0.00 1.72 0.00 0.00 39.33 42.33 2cpm h ASP 115 CO 0.59 -0.19 0.31 -0.33 -2.88 0.00 0.00 179.24 176.75 2cpm h GLU 116 N -0.28 0.46 -0.95 0.28 5.08 -2.01 -0.24 114.58 116.93 2cpm h GLU 116 Ca -0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2cpm h GLU 116 Cb 0.24 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 2cpm h GLU 116 CO -0.01 0.31 0.59 0.93 -1.00 0.00 0.00 179.01 179.83 2cpm h GLU 117 N 0.48 1.27 0.21 2.33 4.39 -1.91 -2.50 114.58 118.85 2cpm h GLU 117 Ca 0.40 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 60.00 2cpm h GLU 117 Cb 0.58 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 2cpm h GLU 117 CO -0.38 0.87 -0.21 -0.07 -1.16 0.00 0.00 179.01 178.07 2cpm h LEU 118 N 1.30 -0.56 -0.35 1.33 3.38 0.18 0.36 115.31 120.95 2cpm h LEU 118 Ca 0.34 0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.44 2cpm h LEU 118 Cb -0.09 0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 2cpm h LEU 118 CO -0.07 -0.31 -0.09 -0.78 0.09 0.00 0.00 178.44 177.28 2cpm h ASP 119 N -0.45 -0.33 -0.70 -0.43 3.58 -1.24 -1.63 116.42 115.22 2cpm h ASP 119 Ca -0.00 0.11 -0.05 0.00 0.42 0.00 0.00 57.03 57.51 2cpm h ASP 119 Cb 0.42 0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.66 2cpm h ASP 119 CO -0.05 -0.12 0.25 0.28 -2.88 0.00 0.00 179.24 176.72 2cpm h SER 120 N -0.00 0.99 -0.99 2.28 0.02 -1.20 -1.86 113.55 112.79 2cpm h SER 120 Ca 0.17 -0.19 0.14 0.00 -0.84 0.00 0.00 61.79 61.07 2cpm h SER 120 Cb 0.26 -0.26 -0.09 0.00 0.14 0.00 0.00 62.40 62.45 2cpm h SER 120 CO -0.36 0.92 0.62 1.88 -1.14 0.00 0.00 176.83 178.75 2cpm h TYR 121 N 1.01 1.09 0.02 3.45 0.05 0.63 -0.23 116.97 123.00 2cpm h TYR 121 Ca 0.23 0.03 -0.21 0.00 0.05 0.00 0.00 58.73 58.83 2cpm h TYR 121 Cb 0.26 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 2cpm h TYR 121 CO 0.02 0.37 -0.95 0.00 -1.05 0.00 0.00 178.16 176.55 2cpm h ARG 122 N 0.89 0.22 0.00 4.88 3.08 -1.03 -3.18 114.38 119.24 2cpm h ARG 122 Ca 0.52 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 60.27 2cpm h ARG 122 Cb 0.64 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 2cpm h ARG 122 CO -0.29 1.02 -0.17 0.00 -1.07 0.00 0.00 179.97 179.46 2cpm h ARG 123 N 0.11 0.00 0.00 0.04 2.47 -0.25 -3.45 114.38 113.29 2cpm h ARG 123 Ca -0.06 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 2cpm h ARG 123 Cb 1.61 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.93 2cpm h ARG 123 CO 0.15 0.17 0.00 0.41 0.56 0.00 0.00 179.97 181.26 2cpm n GLY 124 N -0.97 1.08 3.44 0.04 0.00 -0.57 -5.09 105.19 103.12 2cpm n GLY 124 Ca -0.02 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 2cpm n GLY 124 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2cpm n SER 125 N 0.00 -1.61 0.00 1.61 7.64 -0.81 -4.94 113.62 115.51 2cpm n SER 125 Ca 0.00 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.34 2cpm n SER 125 Cb 0.00 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 61.98 2cpm n SER 125 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cpm n GLY 126 N 1.56 0.47 2.03 0.23 0.00 -1.26 -4.31 105.19 103.90 2cpm n GLY 126 Ca 0.08 -0.81 -0.17 0.00 0.00 0.00 0.00 46.02 45.12 2cpm n GLY 126 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cpm n PRO 127 N -0.06 -2.26 -2.71 1.61 -0.04 -1.26 -4.98 135.00 125.30 2cpm n PRO 127 Ca 0.00 -1.01 -0.42 0.00 -0.04 0.00 0.00 63.50 62.03 2cpm n PRO 127 Cb 0.00 -0.95 -0.03 0.00 -0.04 0.00 0.00 33.50 32.48 2cpm n PRO 127 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cpm s SER 128 N -3.21 7.39 -0.03 3.54 0.15 -1.26 -4.94 113.70 115.33 2cpm s SER 128 Ca 0.41 1.69 0.13 0.00 0.70 0.00 0.00 55.95 58.88 2cpm s SER 128 Cb -0.04 -2.57 -0.22 0.00 -1.71 0.00 0.00 66.02 61.48 2cpm s SER 128 CO 0.32 -0.23 0.67 -1.54 1.20 0.00 0.00 173.24 173.66 2cpm n SER 129 N 3.71 0.84 -0.35 5.45 3.41 -1.26 -5.22 113.62 120.19 2cpm n SER 129 Ca 0.05 0.40 0.15 0.00 -0.26 0.00 0.00 58.87 59.21 2cpm n SER 129 Cb 0.51 0.01 0.64 0.00 -0.26 0.00 0.00 64.21 65.10 2cpm n SER 129 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49