#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 7.24 -0.12 1.61 0.01 -1.26 -4.96 113.70 116.23 2cpm s SER 38 Ca 0.00 1.59 -0.10 0.00 1.31 0.00 0.00 55.95 58.75 2cpm s SER 38 Cb 0.00 -2.56 -0.09 0.00 0.21 0.00 0.00 66.02 63.58 2cpm s SER 38 CO 0.00 -0.43 0.24 0.28 0.41 0.00 0.00 173.24 173.74 2cpm h SER 39 N 7.08 0.00 0.00 2.44 0.02 -2.06 -3.48 113.55 117.55 2cpm h SER 39 Ca -0.33 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.29 2cpm h SER 39 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2cpm h SER 39 CO 0.84 0.70 0.00 0.61 -1.14 0.00 0.00 176.83 177.84 2cpm n GLY 40 N 1.71 2.03 3.61 -3.77 0.00 -1.26 -4.94 105.19 102.57 2cpm n GLY 40 Ca -0.04 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 2cpm n GLY 40 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cpm s SER 41 N 0.00 6.00 0.24 1.61 0.15 -1.26 -4.88 113.70 115.56 2cpm s SER 41 Ca 0.00 1.44 -0.16 0.00 0.70 0.00 0.00 55.95 57.93 2cpm s SER 41 Cb 0.00 -2.53 0.28 0.00 -1.71 0.00 0.00 66.02 62.06 2cpm s SER 41 CO 0.00 -1.60 1.56 -1.28 1.20 0.00 0.00 173.24 173.12 2cpm h SER 42 N 12.43 -1.32 -3.75 5.45 0.87 -2.05 -3.34 113.55 121.83 2cpm h SER 42 Ca -0.34 0.30 -0.63 0.00 -1.23 0.00 0.00 61.79 59.89 2cpm h SER 42 Cb 1.17 0.72 -0.17 0.00 -0.44 0.00 0.00 62.40 63.68 2cpm h SER 42 CO 1.02 -0.30 -0.52 -0.83 -0.53 0.00 0.00 176.83 175.67 2cpm s GLY 43 N -3.65 1.94 0.02 5.77 0.00 -1.26 -5.05 107.32 105.08 2cpm s GLY 43 Ca -0.14 -1.01 -0.02 0.00 0.00 0.00 0.00 44.72 43.55 2cpm s GLY 43 CO 0.73 0.54 0.01 1.62 0.00 0.00 0.00 173.10 175.99 2cpm s GLN 44 N 1.47 0.37 0.31 2.90 0.74 -1.26 -5.04 119.66 119.15 2cpm s GLN 44 Ca 0.07 -0.61 0.06 0.00 0.05 0.00 0.00 55.36 54.93 2cpm s GLN 44 Cb -0.15 0.14 0.84 0.00 1.10 0.00 0.00 33.01 34.94 2cpm s GLN 44 CO 0.08 -0.07 1.65 0.87 -0.55 0.00 0.00 175.29 177.27 2cpm h LYS 45 N 4.46 0.22 -0.14 1.67 1.57 -1.97 -2.31 116.57 120.07 2cpm h LYS 45 Ca -0.32 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.46 2cpm h LYS 45 Cb 1.20 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.44 2cpm h LYS 45 CO 0.43 0.15 -0.09 0.28 -0.57 0.00 0.00 179.45 179.65 2cpm n VAL 46 N -5.19 -0.10 -0.13 0.50 0.31 -1.26 -0.29 118.33 112.19 2cpm n VAL 46 Ca 0.25 1.34 -0.10 0.00 -0.01 0.00 0.00 64.34 65.82 2cpm n VAL 46 Cb 0.79 -1.75 -0.07 0.00 -0.91 0.00 0.00 33.84 31.91 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 -0.23 -0.76 5.55 3.07 -1.83 -1.46 114.58 118.92 2cpm h GLU 47 Ca 0.02 0.02 0.12 0.00 -0.50 0.00 0.00 59.36 59.01 2cpm h GLU 47 Cb 0.06 0.05 -0.13 0.00 -0.84 0.00 0.00 28.75 27.89 2cpm h GLU 47 CO -0.14 -0.16 -0.41 0.35 -1.40 0.00 0.00 179.01 177.26 2cpm h PHE 48 N -0.24 -1.17 -0.56 4.33 3.57 -1.23 -0.75 116.94 120.88 2cpm h PHE 48 Ca 0.06 0.09 0.07 0.00 3.53 0.00 0.00 57.97 61.72 2cpm h PHE 48 Cb 0.40 0.62 -0.10 0.00 2.79 0.00 0.00 35.95 39.66 2cpm h PHE 48 CO -0.73 -0.40 -0.51 -0.09 -2.23 0.00 0.00 178.31 174.35 2cpm h ARG 49 N -0.11 -0.26 -0.64 1.11 2.43 0.39 -0.37 114.38 116.92 2cpm h ARG 49 Ca 0.25 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.56 2cpm h ARG 49 Cb 0.56 0.06 -0.12 0.00 -0.42 0.00 0.00 29.97 30.05 2cpm h ARG 49 CO -0.81 -0.17 -0.25 0.87 -1.51 0.00 0.00 179.97 178.09 2cpm h LYS 50 N -0.27 -0.08 -0.10 0.20 1.57 -0.50 -0.84 116.57 116.54 2cpm h LYS 50 Ca 0.13 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.96 2cpm h LYS 50 Cb 0.56 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.82 2cpm h LYS 50 CO -0.68 -0.05 -0.42 -0.09 -0.57 0.00 0.00 179.45 177.63 2cpm h ARG 51 N -0.08 -0.49 -0.64 3.15 2.43 -0.58 -1.55 114.38 116.61 2cpm h ARG 51 Ca 0.28 0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.61 2cpm h ARG 51 Cb 0.53 0.11 -0.10 0.00 -0.42 0.00 0.00 29.97 30.10 2cpm h ARG 51 CO -0.69 -0.33 0.11 0.52 -1.51 0.00 0.00 179.97 178.07 2cpm h MET 52 N -0.51 0.23 -0.90 0.20 2.86 -0.40 0.40 114.93 116.80 2cpm h MET 52 Ca 0.07 -0.01 0.15 0.00 -2.06 0.00 0.00 59.70 57.85 2cpm h MET 52 Cb 0.63 -0.05 -0.10 0.00 0.06 0.00 0.00 31.60 32.15 2cpm h MET 52 CO -0.38 0.15 0.50 0.93 1.06 0.00 0.00 176.91 179.17 2cpm h GLU 53 N 0.23 0.68 -0.10 1.72 5.08 -0.24 0.20 114.58 122.16 2cpm h GLU 53 Ca 0.34 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.62 2cpm h GLU 53 Cb 0.53 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2cpm h GLU 53 CO -0.45 0.45 -0.10 -0.22 -1.00 0.00 0.00 179.01 177.69 2cpm h LYS 54 N 0.70 0.24 0.33 2.33 1.63 -0.28 -2.35 116.57 119.16 2cpm h LYS 54 Ca 0.49 -0.12 -0.01 0.00 -0.85 0.00 0.00 60.65 60.16 2cpm h LYS 54 Cb 0.69 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.31 2cpm h LYS 54 CO -0.36 0.65 -0.25 0.93 -3.45 0.00 0.00 179.45 176.98 2cpm h GLU 55 N -0.17 -0.56 0.28 1.90 4.39 -0.26 -2.14 114.58 118.01 2cpm h GLU 55 Ca 0.02 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2cpm h GLU 55 Cb 0.61 0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.35 2cpm h GLU 55 CO 0.02 -0.37 -0.51 0.28 -1.16 0.00 0.00 179.01 177.27 2cpm h VAL 56 N -0.58 0.03 -0.73 3.13 2.07 -0.71 -2.19 116.25 117.26 2cpm h VAL 56 Ca -0.03 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.60 2cpm h VAL 56 Cb 0.51 0.03 -0.12 0.00 -1.52 0.00 0.00 31.29 30.18 2cpm h VAL 56 CO -0.00 0.00 -0.42 -1.28 0.02 0.00 0.00 177.57 175.89 2cpm h SER 57 N -0.85 -1.47 -0.79 0.57 0.87 -1.38 0.35 113.55 110.86 2cpm h SER 57 Ca -0.02 0.27 0.18 0.00 -1.23 0.00 0.00 61.79 60.98 2cpm h SER 57 Cb 0.80 0.71 -0.11 0.00 -0.44 0.00 0.00 62.40 63.35 2cpm h SER 57 CO -0.19 -0.31 0.26 -0.78 -0.53 0.00 0.00 176.83 175.28 2cpm h ASP 58 N -0.13 0.15 -0.59 6.23 3.58 -1.07 0.94 116.42 125.52 2cpm h ASP 58 Ca 0.23 0.14 -0.09 0.00 0.42 0.00 0.00 57.03 57.74 2cpm h ASP 58 Cb 0.56 0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.75 2cpm h ASP 58 CO -0.79 -0.00 0.02 0.15 -2.88 0.00 0.00 179.24 175.74 2cpm h PHE 59 N 0.34 1.13 0.42 0.28 3.04 0.19 -2.25 116.94 120.09 2cpm h PHE 59 Ca 0.46 -0.18 -0.01 0.00 3.98 0.00 0.00 57.97 62.22 2cpm h PHE 59 Cb 0.80 -0.30 -0.02 0.00 2.56 0.00 0.00 35.95 38.99 2cpm h PHE 59 CO -0.21 0.99 -0.47 0.82 -2.02 0.00 0.00 178.31 177.42 2cpm h ILE 60 N 0.96 0.00 -0.49 1.41 2.04 0.17 -2.82 117.51 118.78 2cpm h ILE 60 Ca 0.18 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.10 2cpm h ILE 60 Cb 0.53 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.55 2cpm h ILE 60 CO 0.03 0.00 0.19 1.56 0.00 0.00 0.00 178.15 179.93 2cpm h GLN 61 N -0.89 0.37 -6.21 2.37 4.20 -1.42 -3.40 115.11 110.13 2cpm h GLN 61 Ca -0.05 -0.02 -0.55 0.00 0.06 0.00 0.00 58.65 58.08 2cpm h GLN 61 Cb 0.79 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 28.49 2cpm h GLN 61 CO -0.08 0.25 1.34 -3.47 -0.67 0.00 0.00 178.83 176.19 2cpm n ASP 62 N -4.98 3.81 -0.05 1.46 -0.08 -0.85 -4.88 116.55 110.99 2cpm n ASP 62 Ca 0.05 0.63 -0.14 0.00 -1.51 0.00 0.00 54.79 53.82 2cpm n ASP 62 Cb 0.18 -1.54 -0.12 0.00 2.34 0.00 0.00 41.12 41.98 2cpm n ASP 62 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2cpm h SER 63 N 12.36 0.02 -1.00 1.67 0.02 -1.80 -3.30 113.55 121.52 2cpm h SER 63 Ca -0.46 -0.84 0.38 0.00 -0.84 0.00 0.00 61.79 60.02 2cpm h SER 63 Cb 1.24 -0.01 -0.17 0.00 0.14 0.00 0.00 62.40 63.61 2cpm h SER 63 CO 0.95 0.86 0.53 1.23 -1.14 0.00 0.00 176.83 179.25 2cpm h GLY 64 N -0.82 2.16 -5.82 -3.77 0.00 -1.94 -3.35 103.07 89.53 2cpm h GLY 64 Ca -0.00 -0.17 -0.58 0.00 0.00 0.00 0.00 47.33 46.58 2cpm h GLY 64 CO 0.00 -0.69 0.75 1.20 0.00 0.00 0.00 176.54 177.80 2cpm s GLN 65 N -5.59 4.03 -0.02 4.80 -0.21 -1.24 -4.88 119.66 116.54 2cpm s GLN 65 Ca -0.09 0.95 0.22 0.00 0.02 0.00 0.00 55.36 56.45 2cpm s GLN 65 Cb 0.32 -3.74 -0.31 0.00 1.00 0.00 0.00 33.01 30.28 2cpm s GLN 65 CO 0.78 -0.87 0.58 0.44 -2.12 0.00 0.00 175.29 174.10 2cpm n ILE 66 N 5.82 0.00 -3.63 1.08 -5.35 -1.26 -4.93 119.36 111.09 2cpm n ILE 66 Ca 0.10 -0.39 -0.12 0.00 -0.27 0.00 0.00 62.75 62.08 2cpm n ILE 66 Cb 0.47 0.23 -0.05 0.00 -1.74 0.00 0.00 39.64 38.55 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 -3.40 1.01 -0.11 6.28 -2.85 -1.26 -2.18 119.74 117.23 2cpm s LYS 67 Ca -0.04 -0.51 -0.02 0.00 -1.00 0.00 0.00 55.97 54.39 2cpm s LYS 67 Cb 0.14 0.45 0.04 0.00 -2.06 0.00 0.00 37.83 36.41 2cpm s LYS 67 CO 0.90 -0.38 0.03 0.21 0.10 0.00 0.00 175.35 176.21 2cpm s LYS 68 N -3.14 0.50 -0.34 1.78 2.20 -0.58 -4.99 119.74 115.17 2cpm s LYS 68 Ca -0.01 -0.04 -0.16 0.00 -0.36 0.00 0.00 55.97 55.40 2cpm s LYS 68 Cb 0.00 -1.35 -0.01 0.00 -1.51 0.00 0.00 37.83 34.97 2cpm s LYS 68 CO -0.07 -0.44 0.42 0.21 -0.36 0.00 0.00 175.35 175.10 2cpm s LYS 69 N 1.98 3.61 0.15 4.03 2.36 -1.26 -1.62 119.74 128.99 2cpm s LYS 69 Ca 0.03 -0.29 -0.09 0.00 -2.55 0.00 0.00 55.97 53.07 2cpm s LYS 69 Cb -0.14 -3.80 -0.06 0.00 -1.05 0.00 0.00 37.83 32.78 2cpm s LYS 69 CO -0.06 -0.55 0.45 -0.06 1.55 0.00 0.00 175.35 176.68 2cpm s PHE 70 N 2.15 3.51 0.11 4.03 0.40 -0.10 -5.01 117.98 123.07 2cpm s PHE 70 Ca 0.14 0.78 -0.24 0.00 -0.60 0.00 0.00 56.93 57.01 2cpm s PHE 70 Cb -0.16 -2.17 -0.07 0.00 0.51 0.00 0.00 43.02 41.13 2cpm s PHE 70 CO 0.12 0.41 0.73 -0.65 0.70 0.00 0.00 175.22 176.53 2cpm s GLN 71 N -2.39 4.48 -1.19 0.44 -0.21 -1.26 -3.37 119.66 116.15 2cpm s GLN 71 Ca 0.40 1.05 -0.23 0.00 0.02 0.00 0.00 55.36 56.60 2cpm s GLN 71 Cb -0.13 -3.29 -0.09 0.00 1.00 0.00 0.00 33.01 30.51 2cpm s GLN 71 CO 0.21 0.50 1.93 -1.25 -2.12 0.00 0.00 175.29 174.56 2cpm s PRO 72 N -0.82 2.50 -0.06 2.91 0.04 -1.26 -4.67 135.00 133.64 2cpm s PRO 72 Ca 0.35 -1.18 -0.16 0.00 0.04 0.00 0.00 61.00 60.05 2cpm s PRO 72 Cb -0.22 -5.25 -0.30 0.00 0.04 0.00 0.00 34.50 28.77 2cpm s PRO 72 CO 0.24 -3.98 0.74 0.52 0.04 0.00 0.00 177.00 174.56 2cpm h MET 73 N 9.70 0.34 -5.50 4.56 2.86 -1.95 -3.48 114.93 121.46 2cpm h MET 73 Ca 0.22 -0.58 -0.43 0.00 -2.06 0.00 0.00 59.70 56.85 2cpm h MET 73 Cb 0.94 0.22 -0.17 0.00 0.06 0.00 0.00 31.60 32.64 2cpm h MET 73 CO 1.23 1.28 -0.75 -0.80 1.06 0.00 0.00 176.91 178.92 2cpm s ASN 74 N -7.16 2.19 0.26 1.22 -0.87 -1.26 -5.04 114.94 104.28 2cpm s ASN 74 Ca -0.16 -0.87 0.13 0.00 -1.57 0.00 0.00 52.86 50.39 2cpm s ASN 74 Cb 0.04 -0.09 0.25 0.00 -0.02 0.00 0.00 41.25 41.43 2cpm s ASN 74 CO 0.83 -0.15 1.53 0.11 -2.57 0.00 0.00 177.10 176.85 2cpm h LYS 75 N 3.24 0.00 0.00 -0.60 6.56 -1.99 -3.16 116.57 120.62 2cpm h LYS 75 Ca -0.40 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.19 2cpm h LYS 75 Cb 1.20 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.86 2cpm h LYS 75 CO 0.54 0.62 -1.11 -0.89 -2.06 0.00 0.00 179.45 176.55 2cpm n ILE 76 N -3.50 0.11 -0.18 1.86 2.08 -1.26 -4.22 119.36 114.25 2cpm n ILE 76 Ca -0.00 -0.22 0.08 0.00 0.56 0.00 0.00 62.75 63.17 2cpm n ILE 76 Cb 0.69 0.34 0.38 0.00 -0.75 0.00 0.00 39.64 40.29 2cpm n ILE 76 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 2cpm h GLU 77 N 0.00 0.68 -0.59 0.38 4.81 -1.95 -1.59 114.58 116.31 2cpm h GLU 77 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2cpm h GLU 77 Cb 0.71 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 2cpm h GLU 77 CO 0.00 0.45 0.38 0.00 -0.73 0.00 0.00 179.01 179.11 2cpm h ARG 78 N 0.70 0.79 0.62 1.92 3.08 -1.73 -0.22 114.38 119.53 2cpm h ARG 78 Ca 0.33 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.29 2cpm h ARG 78 Cb 0.37 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.26 2cpm h ARG 78 CO -0.11 0.54 -0.30 1.03 -1.07 0.00 0.00 179.97 180.05 2cpm h SER 79 N 0.80 -0.71 0.31 7.04 0.87 -1.56 -0.02 113.55 120.29 2cpm h SER 79 Ca 0.22 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2cpm h SER 79 Cb -0.07 0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.04 2cpm h SER 79 CO -0.04 -0.39 -0.52 0.40 -0.53 0.00 0.00 176.83 175.75 2cpm h ILE 80 N -1.02 0.00 -0.88 2.23 2.04 -1.38 -1.92 117.51 116.58 2cpm h ILE 80 Ca -0.09 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.92 2cpm h ILE 80 Cb 0.69 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.67 2cpm h ILE 80 CO 0.14 0.00 0.48 0.25 0.00 0.00 0.00 178.15 179.02 2cpm h LEU 81 N -0.88 0.60 0.15 1.44 5.85 -1.10 -2.26 115.31 119.11 2cpm h LEU 81 Ca -0.03 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.79 2cpm h LEU 81 Cb 0.82 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 2cpm h LEU 81 CO -0.18 0.26 -0.50 0.45 -0.34 0.00 0.00 178.44 178.13 2cpm h HIS 82 N 0.68 -1.43 -0.73 1.25 3.86 -0.31 -0.77 115.15 117.70 2cpm h HIS 82 Ca 0.48 0.04 0.15 0.00 -1.16 0.00 0.00 60.37 59.87 2cpm h HIS 82 Cb 0.66 0.60 -0.10 0.00 1.06 0.00 0.00 27.41 29.63 2cpm h HIS 82 CO -0.07 -0.59 0.23 0.22 0.86 0.00 0.00 177.93 178.58 2cpm h ASP 83 N -0.75 0.13 -0.80 2.45 3.58 -0.81 0.12 116.42 120.34 2cpm h ASP 83 Ca -0.00 0.13 0.05 0.00 0.42 0.00 0.00 57.03 57.62 2cpm h ASP 83 Cb 0.75 0.14 -0.05 0.00 1.72 0.00 0.00 39.33 41.90 2cpm h ASP 83 CO -0.26 0.03 0.52 0.58 -2.88 0.00 0.00 179.24 177.23 2cpm h VAL 84 N 0.34 1.08 -0.55 2.25 2.07 -0.92 -1.31 116.25 119.21 2cpm h VAL 84 Ca 0.41 -0.32 -0.09 0.00 0.82 0.00 0.00 66.70 67.52 2cpm h VAL 84 Cb 0.66 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 2cpm h VAL 84 CO -0.45 0.17 -0.01 0.58 0.02 0.00 0.00 177.57 177.88 2cpm h VAL 85 N 0.93 1.26 -0.04 2.57 2.07 0.66 -2.06 116.25 121.63 2cpm h VAL 85 Ca 0.33 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 2cpm h VAL 85 Cb 0.14 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2cpm h VAL 85 CO -0.11 0.40 -0.01 -0.33 0.02 0.00 0.00 177.57 177.54 2cpm h GLU 86 N 0.88 0.07 -1.00 1.57 4.39 -0.63 -1.54 114.58 118.32 2cpm h GLU 86 Ca 0.16 -0.03 0.07 0.00 0.34 0.00 0.00 59.36 59.90 2cpm h GLU 86 Cb 0.53 -0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.11 2cpm h GLU 86 CO 0.03 0.41 0.65 0.28 -1.16 0.00 0.00 179.01 179.21 2cpm h VAL 87 N -0.27 1.08 -0.34 3.13 2.07 -1.23 -1.33 116.25 119.36 2cpm h VAL 87 Ca 0.01 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.07 2cpm h VAL 87 Cb 0.38 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 2cpm h VAL 87 CO 0.00 0.21 -0.06 0.00 0.02 0.00 0.00 177.57 177.74 2cpm h ALA 88 N 1.46 1.26 0.00 1.67 0.00 -1.31 -3.47 119.26 118.87 2cpm h ALA 88 Ca 0.43 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2cpm h ALA 88 Cb 0.18 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2cpm h ALA 88 CO -0.17 0.49 0.00 0.41 0.00 0.00 0.00 179.25 179.98 2cpm n GLY 89 N -0.71 1.28 3.35 0.00 0.00 -0.50 -5.11 105.19 103.50 2cpm n GLY 89 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 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 2.55 0.36 0.99 1.43 -0.63 -4.78 118.68 118.60 2cpm s LEU 90 Ca 0.00 -1.04 -0.25 0.00 -1.03 0.00 0.00 54.13 51.81 2cpm s LEU 90 Cb 0.00 -0.67 -0.10 0.00 0.03 0.00 0.00 46.19 45.46 2cpm s LEU 90 CO 0.00 -0.19 1.00 -0.89 0.23 0.00 0.00 176.35 176.50 2cpm s THR 91 N -2.98 3.97 0.15 5.49 2.01 0.18 -4.27 115.64 120.20 2cpm s THR 91 Ca 0.23 1.57 0.09 0.00 0.31 0.00 0.00 61.69 63.89 2cpm s THR 91 Cb -0.00 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 2cpm s THR 91 CO 0.07 0.07 -0.19 -0.44 -0.69 0.00 0.00 174.62 173.44 2cpm s SER 92 N -1.58 2.70 0.00 3.53 0.01 -1.26 -0.59 113.70 116.51 2cpm s SER 92 Ca 0.54 -0.82 -0.29 0.00 1.31 0.00 0.00 55.95 56.69 2cpm s SER 92 Cb -0.20 -0.16 0.10 0.00 0.21 0.00 0.00 66.02 65.97 2cpm s SER 92 CO 0.26 -0.00 0.96 -0.36 0.41 0.00 0.00 173.24 174.50 2cpm s PHE 93 N -1.83 -0.27 -0.06 2.43 0.08 0.18 -4.88 117.98 113.64 2cpm s PHE 93 Ca 0.14 0.11 -0.01 0.00 0.12 0.00 0.00 56.93 57.29 2cpm s PHE 93 Cb -0.07 0.56 0.03 0.00 -0.57 0.00 0.00 43.02 42.96 2cpm s PHE 93 CO 0.06 -0.55 -0.00 0.45 -0.10 0.00 0.00 175.22 175.08 2cpm s SER 94 N -2.56 1.23 -0.05 1.36 0.15 -1.26 0.84 113.70 113.40 2cpm s SER 94 Ca 0.07 -0.07 0.01 0.00 0.70 0.00 0.00 55.95 56.66 2cpm s SER 94 Cb -0.01 -0.39 0.02 0.00 -1.71 0.00 0.00 66.02 63.94 2cpm s SER 94 CO -0.06 -0.15 -0.06 -0.36 1.20 0.00 0.00 173.24 173.81 2cpm s PHE 95 N 1.61 0.91 0.05 3.44 0.08 -0.76 -4.95 117.98 118.36 2cpm s PHE 95 Ca -0.01 -0.30 0.01 0.00 0.12 0.00 0.00 56.93 56.75 2cpm s PHE 95 Cb -0.13 -0.78 -0.03 0.00 -0.57 0.00 0.00 43.02 41.51 2cpm s PHE 95 CO -0.03 -0.24 -0.05 0.20 -0.10 0.00 0.00 175.22 175.00 2cpm s GLY 96 N 1.00 0.45 0.07 4.36 0.00 -1.26 -2.88 107.32 109.07 2cpm s GLY 96 Ca -0.09 -0.89 0.13 0.00 0.00 0.00 0.00 44.72 43.86 2cpm s GLY 96 CO -0.00 -0.97 0.96 1.05 0.00 0.00 0.00 173.10 174.14 2cpm h GLU 97 N 4.03 0.00 -4.95 2.90 4.11 -1.97 -3.45 114.58 115.25 2cpm h GLU 97 Ca -0.34 0.00 -0.60 0.00 0.07 0.00 0.00 59.36 58.49 2cpm h GLU 97 Cb 1.19 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.10 2cpm h GLU 97 CO 0.50 0.55 -0.85 0.34 0.07 0.00 0.00 179.01 179.62 2cpm s ASP 98 N -6.19 2.47 0.46 3.06 -1.08 -1.17 -5.00 116.67 109.22 2cpm s ASP 98 Ca -0.02 -0.44 0.33 0.00 -0.52 0.00 0.00 52.55 51.90 2cpm s ASP 98 Cb 0.09 -1.13 1.45 0.00 -1.46 0.00 0.00 42.92 41.86 2cpm s ASP 98 CO 0.81 0.09 1.66 -2.24 0.52 0.00 0.00 175.17 176.01 2cpm h ASP 99 N 6.88 0.20 -0.02 -0.34 2.03 -2.04 0.71 116.42 123.84 2cpm h ASP 99 Ca -0.25 0.09 -0.20 0.00 -0.73 0.00 0.00 57.03 55.94 2cpm h ASP 99 Cb 1.21 0.08 0.02 0.00 -0.83 0.00 0.00 39.33 39.80 2cpm h ASP 99 CO 0.47 -0.10 -0.78 -2.24 -1.03 0.00 0.00 179.24 175.56 2cpm h ASP 100 N 0.10 0.72 -3.71 4.15 3.04 -1.99 -3.42 116.42 115.32 2cpm h ASP 100 Ca 0.78 -0.73 -0.66 0.00 -3.24 0.00 0.00 57.03 53.17 2cpm h ASP 100 Cb 2.59 -0.22 -0.21 0.00 -1.04 0.00 0.00 39.33 40.45 2cpm h ASP 100 CO -0.29 1.36 -0.55 0.00 -2.04 0.00 0.00 179.24 177.71 2cpm s ARG 102 N 1.65 -0.03 0.52 0.00 3.52 -1.26 -3.06 118.95 120.30 2cpm s ARG 102 Ca 0.06 0.30 -0.02 0.00 -0.13 0.00 0.00 55.73 55.93 2cpm s ARG 102 Cb -0.17 -0.79 0.01 0.00 -1.56 0.00 0.00 34.95 32.44 2cpm s ARG 102 CO 0.07 -0.41 0.79 1.52 -0.81 0.00 0.00 175.30 176.46 2cpm s TYR 103 N 2.18 3.20 -0.20 5.12 -0.85 -1.14 -4.72 117.35 120.95 2cpm s TYR 103 Ca 0.04 0.40 -0.04 0.00 -0.52 0.00 0.00 57.07 56.95 2cpm s TYR 103 Cb -0.13 -2.55 -0.01 0.00 0.38 0.00 0.00 41.96 39.65 2cpm s TYR 103 CO -0.05 -0.62 -0.04 0.54 -1.52 0.00 0.00 175.55 173.86 2cpm s VAL 104 N -2.78 3.53 0.06 -3.49 0.11 -1.22 -1.82 120.40 114.79 2cpm s VAL 104 Ca 0.52 -0.45 0.07 0.00 -2.93 0.00 0.00 61.98 59.19 2cpm s VAL 104 Cb -0.10 -2.59 -0.03 0.00 -1.53 0.00 0.00 36.38 32.12 2cpm s VAL 104 CO 0.41 0.44 -0.17 -0.04 -3.33 0.00 0.00 175.10 172.40 2cpm s MET 105 N 1.18 2.03 0.06 1.54 -1.94 0.25 -0.93 119.30 121.50 2cpm s MET 105 Ca 0.02 -1.01 0.08 0.00 -1.71 0.00 0.00 55.69 53.07 2cpm s MET 105 Cb -0.14 -2.19 -0.03 0.00 2.01 0.00 0.00 34.83 34.48 2cpm s MET 105 CO -0.01 0.53 -0.22 0.96 -0.01 0.00 0.00 175.02 176.28 2cpm s ILE 106 N -0.98 1.75 0.28 2.53 -4.36 -0.64 0.51 121.20 120.28 2cpm s ILE 106 Ca 0.16 -1.33 0.05 0.00 -0.26 0.00 0.00 60.65 59.27 2cpm s ILE 106 Cb -0.11 -1.53 -0.06 0.00 1.25 0.00 0.00 42.46 42.01 2cpm s ILE 106 CO 0.06 0.15 -0.01 -0.36 0.24 0.00 0.00 174.94 175.02 2cpm s PHE 107 N -0.90 1.83 0.71 1.37 0.40 0.24 -1.53 117.98 120.10 2cpm s PHE 107 Ca 0.08 -0.84 -0.04 0.00 -0.60 0.00 0.00 56.93 55.53 2cpm s PHE 107 Cb -0.09 -1.09 0.10 0.00 0.51 0.00 0.00 43.02 42.45 2cpm s PHE 107 CO 0.03 0.10 1.00 0.15 0.70 0.00 0.00 175.22 177.20 2cpm s LYS 108 N -3.82 1.85 0.04 0.44 1.02 -0.93 0.51 119.74 118.86 2cpm s LYS 108 Ca 0.31 -0.73 -0.21 0.00 0.02 0.00 0.00 55.97 55.36 2cpm s LYS 108 Cb 0.06 -2.26 -0.14 0.00 -0.52 0.00 0.00 37.83 34.97 2cpm s LYS 108 CO 0.12 -1.38 1.39 -0.22 -0.92 0.00 0.00 175.35 174.34 2cpm h LYS 109 N -0.57 0.32 0.25 1.68 1.63 -1.92 -0.06 116.57 117.90 2cpm h LYS 109 Ca -0.41 -0.14 -0.33 0.00 -0.85 0.00 0.00 60.65 58.92 2cpm h LYS 109 Cb 1.28 -0.01 0.04 0.00 -0.60 0.00 0.00 32.23 32.94 2cpm h LYS 109 CO 0.47 0.65 -1.46 1.49 -3.45 0.00 0.00 179.45 177.16 2cpm h GLU 110 N -0.03 0.54 -0.73 1.90 4.57 -1.98 -3.24 114.58 115.61 2cpm h GLU 110 Ca 0.03 -0.91 0.00 0.00 -1.18 0.00 0.00 59.36 57.30 2cpm h GLU 110 Cb 0.57 0.34 0.00 0.00 -0.16 0.00 0.00 28.75 29.50 2cpm h GLU 110 CO 0.02 1.44 0.00 1.19 -1.18 0.00 0.00 179.01 180.48 2cpm n PHE 111 N -3.74 0.71 -2.29 0.92 3.72 -1.24 -4.92 117.46 110.62 2cpm n PHE 111 Ca -0.17 -0.26 -0.38 0.00 -0.05 0.00 0.00 57.45 56.60 2cpm n PHE 111 Cb 1.09 -0.21 -0.02 0.00 -0.94 0.00 0.00 39.48 39.41 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 -1.66 3.09 0.78 4.37 0.00 -0.04 -4.34 121.76 123.96 2cpm s ALA 112 Ca 0.20 0.95 -0.10 0.00 0.00 0.00 0.00 51.96 53.01 2cpm s ALA 112 Cb 0.15 -3.38 0.06 0.00 0.00 0.00 0.00 23.12 19.94 2cpm s ALA 112 CO 0.07 -0.57 1.09 -1.25 0.00 0.00 0.00 175.76 175.11 2cpm s PRO 113 N -2.45 2.24 0.40 0.00 0.04 -1.26 -5.03 135.00 128.94 2cpm s PRO 113 Ca 0.59 1.17 0.02 0.00 0.04 0.00 0.00 61.00 62.82 2cpm s PRO 113 Cb -0.30 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 2cpm s PRO 113 CO 0.37 -1.66 0.59 -1.12 0.04 0.00 0.00 177.00 175.22 2cpm s SER 114 N -3.39 5.93 0.04 6.66 0.01 -1.26 -4.90 113.70 116.78 2cpm s SER 114 Ca 0.61 0.17 -0.13 0.00 1.31 0.00 0.00 55.95 57.91 2cpm s SER 114 Cb -0.17 -1.51 -0.06 0.00 0.21 0.00 0.00 66.02 64.49 2cpm s SER 114 CO 0.56 -0.57 1.21 0.44 0.41 0.00 0.00 173.24 175.29 2cpm h ASP 115 N 0.59 -0.57 -0.70 2.44 5.19 -1.99 0.60 116.42 121.99 2cpm h ASP 115 Ca -0.47 0.05 0.11 0.00 -0.62 0.00 0.00 57.03 56.11 2cpm h ASP 115 Cb 1.25 0.20 -0.08 0.00 0.18 0.00 0.00 39.33 40.88 2cpm h ASP 115 CO 0.57 -0.22 0.31 -0.08 -3.12 0.00 0.00 179.24 176.69 2cpm h GLU 116 N -0.32 0.50 -0.63 3.56 4.57 -2.00 -0.19 114.58 120.07 2cpm h GLU 116 Ca -0.01 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2cpm h GLU 116 Cb 0.30 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.75 2cpm h GLU 116 CO -0.08 0.33 0.38 0.93 -1.18 0.00 0.00 179.01 179.40 2cpm h GLU 117 N 0.51 0.84 -0.25 1.92 4.39 -1.88 -2.30 114.58 117.81 2cpm h GLU 117 Ca 0.36 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.98 2cpm h GLU 117 Cb 0.45 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2cpm h GLU 117 CO -0.32 0.59 0.11 -0.07 -1.16 0.00 0.00 179.01 178.16 2cpm h LEU 118 N 0.86 0.34 -0.70 1.33 3.38 0.20 0.33 115.31 121.06 2cpm h LEU 118 Ca 0.23 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.07 2cpm h LEU 118 Cb -0.04 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2cpm h LEU 118 CO -0.04 0.39 0.45 -0.78 0.09 0.00 0.00 178.44 178.55 2cpm h ASP 119 N 0.27 0.76 -0.24 -0.43 1.82 -1.02 -2.35 116.42 115.24 2cpm h ASP 119 Ca 0.09 -0.01 -0.15 0.00 -0.39 0.00 0.00 57.03 56.56 2cpm h ASP 119 Cb 0.15 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 39.98 2cpm h ASP 119 CO -0.01 0.53 -0.46 0.28 -1.61 0.00 0.00 179.24 177.98 2cpm h SER 120 N 0.90 0.81 -0.55 2.28 0.02 -1.23 -2.28 113.55 113.50 2cpm h SER 120 Ca 0.27 -0.54 0.11 0.00 -0.84 0.00 0.00 61.79 60.79 2cpm h SER 120 Cb -0.04 -0.23 -0.09 0.00 0.14 0.00 0.00 62.40 62.18 2cpm h SER 120 CO -0.08 1.20 0.04 1.88 -1.14 0.00 0.00 176.83 178.73 2cpm h TYR 121 N 0.45 0.05 -0.25 3.45 0.05 -0.02 0.16 116.97 120.85 2cpm h TYR 121 Ca 0.01 0.04 -0.11 0.00 0.05 0.00 0.00 58.73 58.72 2cpm h TYR 121 Cb 1.06 0.06 -0.00 0.00 1.01 0.00 0.00 36.73 38.86 2cpm h TYR 121 CO 0.08 -0.09 -0.25 0.00 -1.05 0.00 0.00 178.16 176.85 2cpm h ARG 122 N 0.16 0.62 -0.07 4.88 3.08 -1.45 -2.97 114.38 118.64 2cpm h ARG 122 Ca 0.28 -0.33 0.02 0.00 0.07 0.00 0.00 59.98 60.03 2cpm h ARG 122 Cb 0.43 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 2cpm h ARG 122 CO -0.43 0.93 0.05 0.00 -1.07 0.00 0.00 179.97 179.45 2cpm h ARG 123 N 0.34 0.00 0.00 0.04 2.47 -0.72 -3.47 114.38 113.04 2cpm h ARG 123 Ca 0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 2cpm h ARG 123 Cb 0.81 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.13 2cpm h ARG 123 CO 0.06 0.00 0.00 0.41 0.56 0.00 0.00 179.97 181.00 2cpm n GLY 124 N -1.49 2.26 3.40 0.04 0.00 0.47 -4.85 105.19 105.04 2cpm n GLY 124 Ca -0.01 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.67 2cpm n GLY 124 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cpm s SER 125 N -2.55 2.12 0.00 1.61 0.01 -1.26 -4.86 113.70 108.76 2cpm s SER 125 Ca 0.00 -1.33 0.00 0.00 1.31 0.00 0.00 55.95 55.93 2cpm s SER 125 Cb 0.00 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.19 2cpm s SER 125 CO 0.00 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 173.68 2cpm n GLY 126 N -0.59 0.79 3.62 3.44 0.00 -1.26 -5.12 105.19 106.07 2cpm n GLY 126 Ca -0.03 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 2cpm n GLY 126 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cpm s PRO 127 N -1.70 -0.65 0.09 1.61 0.04 -1.26 -5.05 135.00 128.08 2cpm s PRO 127 Ca 0.00 0.14 -0.06 0.00 0.04 0.00 0.00 61.00 61.12 2cpm s PRO 127 Cb 0.00 -1.64 -0.05 0.00 0.04 0.00 0.00 34.50 32.84 2cpm s PRO 127 CO 0.00 -3.37 0.34 0.45 0.04 0.00 0.00 177.00 174.45 2cpm s SER 128 N -3.73 6.51 0.21 6.66 0.15 -1.26 -5.11 113.70 117.14 2cpm s SER 128 Ca 0.69 0.59 0.09 0.00 0.70 0.00 0.00 55.95 58.02 2cpm s SER 128 Cb -0.13 -2.09 -0.05 0.00 -1.71 0.00 0.00 66.02 62.04 2cpm s SER 128 CO 0.57 0.14 -0.16 -0.44 1.20 0.00 0.00 173.24 174.54 2cpm s SER 129 N -2.11 2.82 0.00 5.45 0.01 -1.26 -5.35 113.70 113.27 2cpm s SER 129 Ca 0.35 -0.99 0.31 0.00 1.31 0.00 0.00 55.95 56.93 2cpm s SER 129 Cb -0.13 -0.18 1.63 0.00 0.21 0.00 0.00 66.02 67.55 2cpm s SER 129 CO 0.21 -0.09 2.07 0.61 0.41 0.00 0.00 173.24 176.45