#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 7.36 -0.10 1.61 0.01 -1.26 -5.01 113.70 116.31 2cpm s SER 38 Ca 0.00 1.86 -0.02 0.00 1.31 0.00 0.00 55.95 59.10 2cpm s SER 38 Cb 0.00 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.64 2cpm s SER 38 CO 0.00 -0.05 -0.04 -1.28 0.41 0.00 0.00 173.24 172.28 2cpm h SER 39 N 3.28 0.00 0.00 2.44 0.87 -2.11 -3.48 113.55 114.55 2cpm h SER 39 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 2cpm h SER 39 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2cpm h SER 39 CO 0.65 0.52 0.00 0.61 -0.53 0.00 0.00 176.83 178.08 2cpm n GLY 40 N 1.76 0.70 3.47 5.77 0.00 -1.26 -5.09 105.19 110.54 2cpm n GLY 40 Ca -0.01 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.00 4.60 0.12 1.61 1.04 -1.26 -5.11 113.70 113.70 2cpm s SER 41 Ca 0.00 -0.17 0.02 0.00 0.48 0.00 0.00 55.95 56.27 2cpm s SER 41 Cb 0.00 -1.71 -0.04 0.00 0.10 0.00 0.00 66.02 64.36 2cpm s SER 41 CO 0.00 0.18 -0.04 -0.94 0.98 0.00 0.00 173.24 173.41 2cpm s SER 42 N 0.30 1.11 0.00 7.02 1.04 -1.26 -5.11 113.70 116.80 2cpm s SER 42 Ca -0.05 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.32 2cpm s SER 42 Cb -0.14 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.09 2cpm s SER 42 CO 0.04 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.36 2cpm n GLY 43 N -0.09 -1.67 3.42 7.32 0.00 -1.26 -5.01 105.19 107.90 2cpm n GLY 43 Ca -0.11 -1.47 -0.16 0.00 0.00 0.00 0.00 46.02 44.29 2cpm n GLY 43 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2cpm s GLN 44 N 0.00 0.96 0.21 1.61 0.74 -1.26 -5.05 119.66 116.88 2cpm s GLN 44 Ca 0.00 0.00 -0.09 0.00 0.05 0.00 0.00 55.36 55.33 2cpm s GLN 44 Cb 0.00 0.45 0.26 0.00 1.10 0.00 0.00 33.01 34.81 2cpm s GLN 44 CO 0.00 -0.31 1.81 0.87 -0.55 0.00 0.00 175.29 177.11 2cpm h LYS 45 N 3.12 0.69 -0.39 1.67 1.57 -2.00 -3.04 116.57 118.19 2cpm h LYS 45 Ca -0.29 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.49 2cpm h LYS 45 Cb 1.17 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 33.27 2cpm h LYS 45 CO 0.40 0.46 -0.26 0.28 -0.57 0.00 0.00 179.45 179.76 2cpm h VAL 46 N 0.72 0.00 -0.93 0.50 2.07 -1.99 0.11 116.25 116.73 2cpm h VAL 46 Ca 0.31 0.00 0.18 0.00 0.82 0.00 0.00 66.70 68.01 2cpm h VAL 46 Cb 0.19 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.79 2cpm h VAL 46 CO -0.19 0.00 -0.25 -0.33 0.02 0.00 0.00 177.57 176.82 2cpm h GLU 47 N -0.03 -0.00 -0.70 1.57 5.08 -1.96 0.61 114.58 119.14 2cpm h GLU 47 Ca 0.06 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2cpm h GLU 47 Cb 0.20 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 2cpm h GLU 47 CO -0.39 -0.00 0.42 0.35 -1.00 0.00 0.00 179.01 178.39 2cpm h PHE 48 N -0.00 0.79 -0.30 4.33 3.57 -0.91 -2.40 116.94 122.00 2cpm h PHE 48 Ca 0.43 0.02 0.07 0.00 3.53 0.00 0.00 57.97 62.02 2cpm h PHE 48 Cb 0.67 -0.25 -0.07 0.00 2.79 0.00 0.00 35.95 39.09 2cpm h PHE 48 CO -0.74 0.42 -0.16 -0.09 -2.23 0.00 0.00 178.31 175.52 2cpm h ARG 49 N 0.81 -0.11 -0.19 1.11 2.43 0.24 -1.84 114.38 116.83 2cpm h ARG 49 Ca 0.29 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.50 2cpm h ARG 49 Cb 0.08 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 2cpm h ARG 49 CO -0.14 -0.07 -0.01 0.87 -1.51 0.00 0.00 179.97 179.12 2cpm h LYS 50 N -0.11 0.05 -0.68 0.20 1.57 -1.02 -2.16 116.57 114.42 2cpm h LYS 50 Ca 0.16 -0.00 0.15 0.00 -1.87 0.00 0.00 60.65 59.08 2cpm h LYS 50 Cb 0.35 -0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.54 2cpm h LYS 50 CO -0.38 0.03 0.09 -0.09 -0.57 0.00 0.00 179.45 178.53 2cpm h ARG 51 N 0.05 0.18 -0.80 3.15 2.43 -0.91 0.58 114.38 119.06 2cpm h ARG 51 Ca 0.09 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2cpm h ARG 51 Cb 0.11 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 2cpm h ARG 51 CO -0.16 0.12 0.48 0.52 -1.51 0.00 0.00 179.97 179.43 2cpm h MET 52 N 0.19 1.08 -0.47 0.20 2.86 -0.86 -1.81 114.93 116.13 2cpm h MET 52 Ca 0.37 -0.10 0.08 0.00 -2.06 0.00 0.00 59.70 57.99 2cpm h MET 52 Cb 0.62 -0.23 -0.07 0.00 0.06 0.00 0.00 31.60 31.99 2cpm h MET 52 CO -0.53 0.76 0.08 0.93 1.06 0.00 0.00 176.91 179.22 2cpm h GLU 53 N 1.09 0.21 -0.29 1.72 5.08 -0.29 0.29 114.58 122.39 2cpm h GLU 53 Ca 0.29 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.60 2cpm h GLU 53 Cb -0.04 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2cpm h GLU 53 CO -0.05 0.14 0.05 -0.22 -1.00 0.00 0.00 179.01 177.93 2cpm h LYS 54 N 0.22 0.48 0.78 2.33 1.63 -1.10 -2.15 116.57 118.76 2cpm h LYS 54 Ca 0.23 -0.13 -0.04 0.00 -0.85 0.00 0.00 60.65 59.87 2cpm h LYS 54 Cb 0.30 -0.06 0.01 0.00 -0.60 0.00 0.00 32.23 31.88 2cpm h LYS 54 CO -0.31 0.58 -0.38 0.93 -3.45 0.00 0.00 179.45 176.82 2cpm h GLU 55 N 0.31 -1.01 -0.50 1.90 5.08 -0.71 -2.42 114.58 117.21 2cpm h GLU 55 Ca 0.09 0.07 0.08 0.00 -1.00 0.00 0.00 59.36 58.60 2cpm h GLU 55 Cb 0.33 0.23 -0.10 0.00 0.50 0.00 0.00 28.75 29.71 2cpm h GLU 55 CO 0.00 -0.68 -0.44 0.28 -1.00 0.00 0.00 179.01 177.18 2cpm h VAL 56 N -1.07 0.09 -0.65 3.13 2.07 -0.52 -1.02 116.25 118.29 2cpm h VAL 56 Ca -0.11 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.53 2cpm h VAL 56 Cb 0.81 0.09 -0.12 0.00 -1.52 0.00 0.00 31.29 30.55 2cpm h VAL 56 CO 0.18 0.00 -0.31 -1.28 0.02 0.00 0.00 177.57 176.18 2cpm h SER 57 N -0.27 -1.09 -0.74 0.57 0.87 -1.39 0.19 113.55 111.69 2cpm h SER 57 Ca 0.16 0.23 0.15 0.00 -1.23 0.00 0.00 61.79 61.10 2cpm h SER 57 Cb 0.57 0.57 -0.11 0.00 -0.44 0.00 0.00 62.40 62.99 2cpm h SER 57 CO -0.64 -0.29 0.21 -0.78 -0.53 0.00 0.00 176.83 174.80 2cpm h ASP 58 N -0.12 0.09 -0.72 6.23 3.58 -0.68 0.84 116.42 125.65 2cpm h ASP 58 Ca 0.26 0.13 -0.04 0.00 0.42 0.00 0.00 57.03 57.81 2cpm h ASP 58 Cb 0.55 0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.73 2cpm h ASP 58 CO -0.72 0.00 0.31 0.15 -2.88 0.00 0.00 179.24 176.10 2cpm h PHE 59 N 0.32 1.09 0.08 0.28 3.04 -0.12 -2.33 116.94 119.30 2cpm h PHE 59 Ca 0.41 -0.07 0.02 0.00 3.98 0.00 0.00 57.97 62.32 2cpm h PHE 59 Cb 0.69 -0.33 -0.03 0.00 2.56 0.00 0.00 35.95 38.84 2cpm h PHE 59 CO -0.23 0.82 -0.20 0.82 -2.02 0.00 0.00 178.31 177.50 2cpm h ILE 60 N 1.06 0.54 -0.81 1.41 2.04 0.58 -2.52 117.51 119.81 2cpm h ILE 60 Ca 0.25 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.13 2cpm h ILE 60 Cb 0.18 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 2cpm h ILE 60 CO -0.02 0.00 0.53 1.56 0.00 0.00 0.00 178.15 180.22 2cpm h GLN 61 N -0.37 1.02 -6.19 2.37 4.20 -1.29 -3.41 115.11 111.46 2cpm h GLN 61 Ca 0.03 -0.06 -0.56 0.00 0.06 0.00 0.00 58.65 58.12 2cpm h GLN 61 Cb 0.40 -0.23 0.01 0.00 0.30 0.00 0.00 27.48 27.96 2cpm h GLN 61 CO -0.13 0.68 1.35 -0.51 -0.67 0.00 0.00 178.83 179.54 2cpm s ASP 62 N -5.89 5.99 -0.04 1.46 1.01 -0.89 -4.89 116.67 113.42 2cpm s ASP 62 Ca -0.13 2.28 -0.14 0.00 0.71 0.00 0.00 52.55 55.27 2cpm s ASP 62 Cb 0.16 -2.52 -0.08 0.00 1.01 0.00 0.00 42.92 41.50 2cpm s ASP 62 CO 0.79 -1.48 0.56 0.28 0.21 0.00 0.00 175.17 175.54 2cpm h SER 63 N 12.63 -0.42 -1.17 0.27 0.02 -1.82 -3.27 113.55 119.80 2cpm h SER 63 Ca -0.45 0.01 0.42 0.00 -0.84 0.00 0.00 61.79 60.94 2cpm h SER 63 Cb 1.24 0.11 -0.15 0.00 0.14 0.00 0.00 62.40 63.73 2cpm h SER 63 CO 0.95 0.02 0.71 1.23 -1.14 0.00 0.00 176.83 178.60 2cpm h GLY 64 N -1.13 1.78 -4.95 -3.77 0.00 -1.95 -3.37 103.07 89.68 2cpm h GLY 64 Ca -0.05 -0.14 -0.56 0.00 0.00 0.00 0.00 47.33 46.58 2cpm h GLY 64 CO 0.08 -0.58 0.81 1.20 0.00 0.00 0.00 176.54 178.05 2cpm s GLN 65 N -5.42 4.29 -0.02 4.80 -1.52 -1.23 -4.87 119.66 115.69 2cpm s GLN 65 Ca -0.08 1.74 0.02 0.00 -1.95 0.00 0.00 55.36 55.08 2cpm s GLN 65 Cb 0.32 -3.65 -0.03 0.00 -0.22 0.00 0.00 33.01 29.43 2cpm s GLN 65 CO 0.80 -0.58 0.01 0.44 -0.25 0.00 0.00 175.29 175.71 2cpm n ILE 66 N 4.93 0.13 -3.63 1.08 -5.35 -1.26 -4.92 119.36 110.34 2cpm n ILE 66 Ca 0.13 -0.09 -0.15 0.00 -0.27 0.00 0.00 62.75 62.37 2cpm n ILE 66 Cb 0.45 -0.86 -0.08 0.00 -1.74 0.00 0.00 39.64 37.42 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 -2.06 0.81 -0.07 6.28 -2.85 -1.26 -2.04 119.74 118.56 2cpm s LYS 67 Ca -0.01 0.51 -0.19 0.00 -1.00 0.00 0.00 55.97 55.28 2cpm s LYS 67 Cb 0.01 0.39 0.04 0.00 -2.06 0.00 0.00 37.83 36.20 2cpm s LYS 67 CO 0.09 -0.18 0.45 0.21 0.10 0.00 0.00 175.35 176.02 2cpm s LYS 68 N -0.39 0.73 -0.14 1.78 2.20 -0.84 -5.00 119.74 118.09 2cpm s LYS 68 Ca -0.05 0.16 -0.00 0.00 -0.36 0.00 0.00 55.97 55.71 2cpm s LYS 68 Cb -0.03 0.34 -0.01 0.00 -1.51 0.00 0.00 37.83 36.62 2cpm s LYS 68 CO 0.04 -0.19 -0.13 -1.59 -0.36 0.00 0.00 175.35 173.13 2cpm s LYS 69 N -0.85 3.37 0.02 4.03 -2.85 -1.26 -1.32 119.74 120.88 2cpm s LYS 69 Ca -0.09 -0.69 -0.19 0.00 -1.00 0.00 0.00 55.97 54.00 2cpm s LYS 69 Cb -0.03 -2.65 -0.06 0.00 -2.06 0.00 0.00 37.83 33.03 2cpm s LYS 69 CO 0.05 0.17 0.54 -0.06 0.10 0.00 0.00 175.35 176.16 2cpm s PHE 70 N 0.45 3.73 0.35 1.78 0.40 0.24 -4.97 117.98 119.96 2cpm s PHE 70 Ca -0.10 1.18 -0.28 0.00 -0.60 0.00 0.00 56.93 57.13 2cpm s PHE 70 Cb -0.16 -2.50 -0.11 0.00 0.51 0.00 0.00 43.02 40.76 2cpm s PHE 70 CO 0.05 0.49 1.40 -0.65 0.70 0.00 0.00 175.22 177.21 2cpm s GLN 71 N -0.69 4.23 -0.74 0.44 -1.52 -1.26 -3.08 119.66 117.04 2cpm s GLN 71 Ca 0.28 2.40 -0.26 0.00 -1.95 0.00 0.00 55.36 55.84 2cpm s GLN 71 Cb -0.18 -3.02 -0.03 0.00 -0.22 0.00 0.00 33.01 29.55 2cpm s GLN 71 CO 0.17 -0.37 1.90 -1.25 -0.25 0.00 0.00 175.29 175.49 2cpm s PRO 72 N -1.85 2.59 -0.14 2.91 0.04 -1.26 -4.79 135.00 132.51 2cpm s PRO 72 Ca 0.51 0.21 -0.16 0.00 0.04 0.00 0.00 61.00 61.61 2cpm s PRO 72 Cb -0.43 -4.69 -0.24 0.00 0.04 0.00 0.00 34.50 29.17 2cpm s PRO 72 CO 0.57 -3.02 0.41 0.52 0.04 0.00 0.00 177.00 175.52 2cpm h MET 73 N 13.33 0.17 -5.08 4.56 2.86 -1.92 -3.49 114.93 125.36 2cpm h MET 73 Ca -0.10 -0.29 -0.46 0.00 -2.06 0.00 0.00 59.70 56.79 2cpm h MET 73 Cb 1.09 0.11 -0.14 0.00 0.06 0.00 0.00 31.60 32.72 2cpm h MET 73 CO 1.21 1.14 -0.58 -0.80 1.06 0.00 0.00 176.91 178.94 2cpm s ASN 74 N -6.96 2.17 0.20 1.22 0.01 -1.26 -5.04 114.94 105.28 2cpm s ASN 74 Ca -0.23 -1.47 0.12 0.00 -0.71 0.00 0.00 52.86 50.56 2cpm s ASN 74 Cb 0.05 0.16 -0.06 0.00 0.41 0.00 0.00 41.25 41.81 2cpm s ASN 74 CO 0.71 -0.74 1.33 0.50 -1.51 0.00 0.00 177.10 177.39 2cpm h LYS 75 N 2.09 0.00 0.00 -0.60 3.64 -1.99 -3.32 116.57 116.39 2cpm h LYS 75 Ca -0.38 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 58.67 2cpm h LYS 75 Cb 1.25 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.01 2cpm h LYS 75 CO 0.63 0.69 -2.04 -0.89 -2.27 0.00 0.00 179.45 175.58 2cpm n ILE 76 N -3.26 1.47 -0.26 2.00 2.08 -1.26 -4.33 119.36 115.80 2cpm n ILE 76 Ca 0.00 -0.82 0.24 0.00 0.56 0.00 0.00 62.75 62.73 2cpm n ILE 76 Cb 0.83 -0.73 0.43 0.00 -0.75 0.00 0.00 39.64 39.42 2cpm n ILE 76 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 2cpm n GLU 77 N -2.88 -0.04 0.24 0.38 -0.00 -1.25 0.16 120.64 117.25 2cpm n GLU 77 Ca -0.24 0.91 -0.16 0.00 -0.00 0.00 0.00 57.16 57.67 2cpm n GLU 77 Cb 1.09 -1.70 -0.08 0.00 -0.00 0.00 0.00 31.44 30.75 2cpm n GLU 77 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2cpm h ARG 78 N 0.00 -0.54 0.17 3.44 2.43 -1.78 -0.92 114.38 117.18 2cpm h ARG 78 Ca 0.59 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.80 2cpm h ARG 78 Cb 1.70 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 31.36 2cpm h ARG 78 CO -0.45 -0.36 -0.12 0.77 -1.51 0.00 0.00 179.97 178.30 2cpm h SER 79 N -0.57 -0.32 0.08 -3.80 0.02 0.12 -0.34 113.55 108.75 2cpm h SER 79 Ca -0.06 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2cpm h SER 79 Cb 0.43 0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.04 2cpm h SER 79 CO 0.09 -0.20 -0.41 0.40 -1.14 0.00 0.00 176.83 175.58 2cpm h ILE 80 N -0.30 0.00 -0.68 3.27 2.04 -1.32 -1.97 117.51 118.55 2cpm h ILE 80 Ca -0.01 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.98 2cpm h ILE 80 Cb 0.26 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.25 2cpm h ILE 80 CO -0.01 0.00 0.21 0.25 0.00 0.00 0.00 178.15 178.60 2cpm h LEU 81 N -0.57 0.13 -0.85 1.44 5.85 -1.13 -0.36 115.31 119.81 2cpm h LEU 81 Ca -0.00 0.11 0.20 0.00 0.84 0.00 0.00 57.88 59.03 2cpm h LEU 81 Cb 0.58 0.13 -0.12 0.00 0.37 0.00 0.00 40.66 41.62 2cpm h LEU 81 CO -0.23 0.05 0.34 0.45 -0.34 0.00 0.00 178.44 178.71 2cpm h HIS 82 N 0.34 0.56 -0.40 1.25 3.86 -0.41 0.20 115.15 120.57 2cpm h HIS 82 Ca 0.37 0.04 -0.09 0.00 -1.16 0.00 0.00 60.37 59.52 2cpm h HIS 82 Cb 0.55 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.89 2cpm h HIS 82 CO -0.21 -0.04 -0.12 0.22 0.86 0.00 0.00 177.93 178.64 2cpm h ASP 83 N 0.39 0.79 -0.81 2.45 1.82 -0.37 -1.95 116.42 118.73 2cpm h ASP 83 Ca 0.52 -0.37 -0.03 0.00 -0.39 0.00 0.00 57.03 56.76 2cpm h ASP 83 Cb 0.94 -0.22 -0.04 0.00 0.68 0.00 0.00 39.33 40.69 2cpm h ASP 83 CO -0.51 0.99 0.41 0.58 -1.61 0.00 0.00 179.24 179.09 2cpm h VAL 84 N 0.59 1.25 0.66 2.25 2.07 -0.31 -2.03 116.25 120.74 2cpm h VAL 84 Ca 0.10 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 2cpm h VAL 84 Cb 0.65 0.20 0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2cpm h VAL 84 CO 0.04 0.29 -0.32 0.58 0.02 0.00 0.00 177.57 178.19 2cpm h VAL 85 N 1.15 0.00 -1.06 2.57 2.07 -0.63 -0.50 116.25 119.85 2cpm h VAL 85 Ca 0.28 -0.29 0.29 0.00 0.82 0.00 0.00 66.70 67.80 2cpm h VAL 85 Cb 0.09 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.74 2cpm h VAL 85 CO -0.04 0.00 0.66 1.05 0.02 0.00 0.00 177.57 179.26 2cpm h GLU 86 N -1.18 0.38 -0.20 1.57 4.11 -1.36 0.28 114.58 118.19 2cpm h GLU 86 Ca -0.09 -0.02 -0.19 0.00 0.07 0.00 0.00 59.36 59.13 2cpm h GLU 86 Cb 0.68 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.85 2cpm h GLU 86 CO 0.15 0.25 -0.60 0.28 0.07 0.00 0.00 179.01 179.16 2cpm h VAL 87 N 0.39 1.30 -0.14 -1.06 2.07 -1.30 -3.13 116.25 114.38 2cpm h VAL 87 Ca 0.66 -1.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.35 2cpm h VAL 87 Cb 1.60 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 33.23 2cpm h VAL 87 CO -0.42 0.57 -0.02 0.00 0.02 0.00 0.00 177.57 177.73 2cpm h ALA 88 N 0.59 1.71 0.00 1.67 0.00 0.12 -3.46 119.26 119.88 2cpm h ALA 88 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2cpm h ALA 88 Cb 1.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2cpm h ALA 88 CO 0.13 0.22 0.00 0.41 0.00 0.00 0.00 179.25 180.01 2cpm n GLY 89 N -1.19 1.53 3.42 0.00 0.00 -0.27 -5.09 105.19 103.58 2cpm n GLY 89 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 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 2.39 -0.00 0.99 1.43 -1.11 -4.82 118.68 117.55 2cpm s LEU 90 Ca 0.00 -1.24 -0.27 0.00 -1.03 0.00 0.00 54.13 51.60 2cpm s LEU 90 Cb 0.00 -0.53 -0.04 0.00 0.03 0.00 0.00 46.19 45.65 2cpm s LEU 90 CO 0.00 -0.43 0.83 -0.89 0.23 0.00 0.00 176.35 176.10 2cpm s THR 91 N -3.13 4.86 0.07 5.49 2.01 -0.04 -4.12 115.64 120.78 2cpm s THR 91 Ca 0.31 1.75 0.09 0.00 0.31 0.00 0.00 61.69 64.15 2cpm s THR 91 Cb 0.05 -4.18 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 2cpm s THR 91 CO 0.12 0.26 -0.23 -0.94 -0.69 0.00 0.00 174.62 173.14 2cpm s SER 92 N 0.58 3.51 0.25 3.53 1.04 -1.26 0.24 113.70 121.59 2cpm s SER 92 Ca 0.43 -0.57 -0.22 0.00 0.48 0.00 0.00 55.95 56.08 2cpm s SER 92 Cb -0.20 -0.41 0.03 0.00 0.10 0.00 0.00 66.02 65.54 2cpm s SER 92 CO 0.24 0.23 0.70 -0.36 0.98 0.00 0.00 173.24 175.02 2cpm s PHE 93 N -0.96 -0.27 -0.14 5.02 0.08 -0.17 -4.94 117.98 116.61 2cpm s PHE 93 Ca 0.14 -0.13 -0.01 0.00 0.12 0.00 0.00 56.93 57.04 2cpm s PHE 93 Cb -0.10 0.67 0.04 0.00 -0.57 0.00 0.00 43.02 43.06 2cpm s PHE 93 CO 0.05 -1.14 -0.01 -1.12 -0.10 0.00 0.00 175.22 172.90 2cpm s SER 94 N -2.88 2.36 -0.11 1.36 0.01 -1.26 -0.19 113.70 112.99 2cpm s SER 94 Ca 0.09 -0.47 0.01 0.00 1.31 0.00 0.00 55.95 56.89 2cpm s SER 94 Cb -0.05 -0.67 0.02 0.00 0.21 0.00 0.00 66.02 65.53 2cpm s SER 94 CO 0.02 -0.21 -0.14 -0.36 0.41 0.00 0.00 173.24 172.96 2cpm s PHE 95 N 1.81 1.91 -0.02 2.43 0.40 -1.07 -4.98 117.98 118.46 2cpm s PHE 95 Ca 0.02 -0.91 0.02 0.00 -0.60 0.00 0.00 56.93 55.47 2cpm s PHE 95 Cb -0.14 -1.39 0.00 0.00 0.51 0.00 0.00 43.02 42.00 2cpm s PHE 95 CO -0.07 -0.48 -0.07 0.20 0.70 0.00 0.00 175.22 175.50 2cpm s GLY 96 N 1.06 0.41 0.04 4.36 0.00 -1.26 -3.70 107.32 108.22 2cpm s GLY 96 Ca -0.05 -0.24 -0.19 0.00 0.00 0.00 0.00 44.72 44.24 2cpm s GLY 96 CO -0.02 -0.03 1.28 0.83 0.00 0.00 0.00 173.10 175.16 2cpm h GLU 97 N 6.38 0.42 -6.10 2.90 4.39 -1.96 -3.46 114.58 117.16 2cpm h GLU 97 Ca -0.33 -0.27 -0.60 0.00 0.34 0.00 0.00 59.36 58.51 2cpm h GLU 97 Cb 1.17 0.04 -0.12 0.00 -0.10 0.00 0.00 28.75 29.74 2cpm h GLU 97 CO 0.49 0.88 -0.68 -0.51 -1.16 0.00 0.00 179.01 178.02 2cpm s ASP 98 N -6.35 3.95 0.18 1.42 1.11 -1.24 -5.04 116.67 110.71 2cpm s ASP 98 Ca -0.14 -0.99 -0.11 0.00 0.18 0.00 0.00 52.55 51.49 2cpm s ASP 98 Cb 0.05 -0.47 0.10 0.00 1.07 0.00 0.00 42.92 43.67 2cpm s ASP 98 CO 0.78 -0.10 1.77 -2.24 1.18 0.00 0.00 175.17 176.57 2cpm h ASP 99 N 2.02 0.85 -0.38 0.27 2.03 -2.05 -2.88 116.42 116.29 2cpm h ASP 99 Ca -0.42 -0.13 -0.16 0.00 -0.73 0.00 0.00 57.03 55.59 2cpm h ASP 99 Cb 1.25 -0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 39.53 2cpm h ASP 99 CO 0.64 0.74 -0.38 0.44 -1.03 0.00 0.00 179.24 179.66 2cpm h ASP 100 N 0.90 0.98 -3.58 4.15 5.19 -2.00 -3.40 116.42 118.66 2cpm h ASP 100 Ca 0.22 -0.47 -0.65 0.00 -0.62 0.00 0.00 57.03 55.52 2cpm h ASP 100 Cb 0.12 -0.28 -0.14 0.00 0.18 0.00 0.00 39.33 39.20 2cpm h ASP 100 CO -0.03 1.25 0.21 0.00 -3.12 0.00 0.00 179.24 177.55 2cpm s ARG 102 N 3.00 0.82 0.12 0.00 1.81 -1.26 -3.63 118.95 119.81 2cpm s ARG 102 Ca 0.25 -0.78 0.05 0.00 -1.72 0.00 0.00 55.73 53.53 2cpm s ARG 102 Cb -0.14 -2.13 -0.04 0.00 -0.45 0.00 0.00 34.95 32.20 2cpm s ARG 102 CO 0.20 -0.78 0.04 1.52 -0.68 0.00 0.00 175.30 175.60 2cpm s TYR 103 N 1.69 3.02 0.33 -0.53 -0.85 -1.24 -4.56 117.35 115.20 2cpm s TYR 103 Ca 0.03 -0.03 -0.04 0.00 -0.52 0.00 0.00 57.07 56.51 2cpm s TYR 103 Cb -0.17 -1.51 -0.05 0.00 0.38 0.00 0.00 41.96 40.61 2cpm s TYR 103 CO -0.15 0.50 0.58 0.54 -1.52 0.00 0.00 175.55 175.50 2cpm s VAL 104 N -1.50 5.02 0.06 -3.49 0.11 -1.18 -2.61 120.40 116.82 2cpm s VAL 104 Ca 0.28 -0.03 -0.02 0.00 -2.93 0.00 0.00 61.98 59.28 2cpm s VAL 104 Cb -0.11 -3.78 -0.04 0.00 -1.53 0.00 0.00 36.38 30.93 2cpm s VAL 104 CO 0.20 -0.44 0.00 -0.04 -3.33 0.00 0.00 175.10 171.49 2cpm s MET 105 N -3.86 0.67 -0.07 1.54 -1.94 0.73 -0.59 119.30 115.79 2cpm s MET 105 Ca 0.44 -1.23 -0.05 0.00 -1.71 0.00 0.00 55.69 53.13 2cpm s MET 105 Cb -0.10 0.23 0.02 0.00 2.01 0.00 0.00 34.83 36.98 2cpm s MET 105 CO 0.33 -0.14 0.17 0.96 -0.01 0.00 0.00 175.02 176.33 2cpm s ILE 106 N -3.93 -0.01 0.40 2.53 -4.36 -0.44 -1.00 121.20 114.40 2cpm s ILE 106 Ca 0.09 0.03 0.05 0.00 -0.26 0.00 0.00 60.65 60.56 2cpm s ILE 106 Cb 0.08 -0.25 -0.06 0.00 1.25 0.00 0.00 42.46 43.48 2cpm s ILE 106 CO -0.08 0.01 0.03 -0.36 0.24 0.00 0.00 174.94 174.78 2cpm s PHE 107 N 0.30 2.18 0.63 1.37 0.40 0.14 -1.99 117.98 121.00 2cpm s PHE 107 Ca -0.02 -0.86 0.00 0.00 -0.60 0.00 0.00 56.93 55.45 2cpm s PHE 107 Cb -0.03 -1.55 0.07 0.00 0.51 0.00 0.00 43.02 42.02 2cpm s PHE 107 CO -0.01 0.22 0.87 0.15 0.70 0.00 0.00 175.22 177.15 2cpm s LYS 108 N -3.79 2.19 0.07 0.44 1.02 -0.87 -0.86 119.74 117.94 2cpm s LYS 108 Ca 0.29 -0.88 -0.21 0.00 0.02 0.00 0.00 55.97 55.19 2cpm s LYS 108 Cb 0.07 -2.41 -0.11 0.00 -0.52 0.00 0.00 37.83 34.86 2cpm s LYS 108 CO 0.14 -1.03 1.53 -0.22 -0.92 0.00 0.00 175.35 174.85 2cpm h LYS 109 N -0.20 0.28 0.25 1.68 3.64 -1.93 0.13 116.57 120.42 2cpm h LYS 109 Ca -0.40 -0.08 -0.34 0.00 -1.27 0.00 0.00 60.65 58.57 2cpm h LYS 109 Cb 1.29 -0.03 0.04 0.00 -0.41 0.00 0.00 32.23 33.11 2cpm h LYS 109 CO 0.48 0.46 -1.48 0.93 -2.27 0.00 0.00 179.45 177.57 2cpm h GLU 110 N 0.06 0.52 -0.73 1.90 4.39 -1.98 -3.24 114.58 115.50 2cpm h GLU 110 Ca 0.05 -0.89 0.00 0.00 0.34 0.00 0.00 59.36 58.86 2cpm h GLU 110 Cb 0.32 0.33 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 2cpm h GLU 110 CO 0.00 1.43 0.00 1.19 -1.16 0.00 0.00 179.01 180.47 2cpm n PHE 111 N -3.70 0.68 -2.28 4.33 3.72 -1.23 -4.92 117.46 114.07 2cpm n PHE 111 Ca -0.17 -0.25 -0.38 0.00 -0.05 0.00 0.00 57.45 56.60 2cpm n PHE 111 Cb 1.10 -0.20 -0.02 0.00 -0.94 0.00 0.00 39.48 39.42 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 -1.64 3.15 0.77 4.37 0.00 0.46 -4.29 121.76 124.58 2cpm s ALA 112 Ca 0.19 0.98 -0.11 0.00 0.00 0.00 0.00 51.96 53.03 2cpm s ALA 112 Cb 0.14 -3.39 0.06 0.00 0.00 0.00 0.00 23.12 19.93 2cpm s ALA 112 CO 0.07 -0.55 1.09 -1.25 0.00 0.00 0.00 175.76 175.12 2cpm s PRO 113 N -2.32 2.27 0.39 0.00 0.04 -1.26 -5.02 135.00 129.09 2cpm s PRO 113 Ca 0.57 1.18 0.03 0.00 0.04 0.00 0.00 61.00 62.82 2cpm s PRO 113 Cb -0.31 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 2cpm s PRO 113 CO 0.39 -1.64 0.57 -1.12 0.04 0.00 0.00 177.00 175.24 2cpm s SER 114 N -3.36 5.92 0.02 6.66 0.01 -1.26 -4.92 113.70 116.77 2cpm s SER 114 Ca 0.61 0.08 -0.09 0.00 1.31 0.00 0.00 55.95 57.86 2cpm s SER 114 Cb -0.17 -1.43 -0.05 0.00 0.21 0.00 0.00 66.02 64.58 2cpm s SER 114 CO 0.56 -0.56 1.15 0.44 0.41 0.00 0.00 173.24 175.23 2cpm h ASP 115 N 0.64 -0.36 -0.59 2.44 3.32 -1.99 0.43 116.42 120.30 2cpm h ASP 115 Ca -0.46 0.03 0.10 0.00 0.02 0.00 0.00 57.03 56.71 2cpm h ASP 115 Cb 1.25 0.12 -0.08 0.00 0.22 0.00 0.00 39.33 40.85 2cpm h ASP 115 CO 0.56 -0.18 0.19 -0.33 -1.72 0.00 0.00 179.24 177.76 2cpm h GLU 116 N -0.27 0.34 -0.95 3.56 5.08 -2.00 -0.87 114.58 119.46 2cpm h GLU 116 Ca -0.02 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.37 2cpm h GLU 116 Cb 0.23 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 2cpm h GLU 116 CO -0.01 0.22 0.61 0.93 -1.00 0.00 0.00 179.01 179.76 2cpm h GLU 117 N 0.35 1.11 -0.02 2.33 4.39 -1.93 -2.29 114.58 118.52 2cpm h GLU 117 Ca 0.30 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.95 2cpm h GLU 117 Cb 0.40 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 2cpm h GLU 117 CO -0.33 0.73 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.13 2cpm h LEU 118 N 1.14 -0.14 -0.75 1.33 3.38 0.13 0.37 115.31 120.76 2cpm h LEU 118 Ca 0.40 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.48 2cpm h LEU 118 Cb 0.10 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 2cpm h LEU 118 CO -0.15 -0.07 0.41 -0.78 0.09 0.00 0.00 178.44 177.94 2cpm h ASP 119 N -0.08 0.58 -0.34 -0.43 1.82 -1.00 -1.88 116.42 115.09 2cpm h ASP 119 Ca 0.03 0.05 -0.17 0.00 -0.39 0.00 0.00 57.03 56.54 2cpm h ASP 119 Cb 0.11 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.06 2cpm h ASP 119 CO -0.06 0.34 -0.47 0.28 -1.61 0.00 0.00 179.24 177.71 2cpm h SER 120 N 0.71 1.00 -0.35 2.28 0.02 -1.00 -2.02 113.55 114.19 2cpm h SER 120 Ca 0.36 -0.50 0.07 0.00 -0.84 0.00 0.00 61.79 60.88 2cpm h SER 120 Cb 0.33 -0.28 -0.07 0.00 0.14 0.00 0.00 62.40 62.51 2cpm h SER 120 CO -0.24 1.30 -0.10 1.88 -1.14 0.00 0.00 176.83 178.53 2cpm h TYR 121 N 0.72 -0.22 -0.15 3.45 0.05 0.50 0.40 116.97 121.72 2cpm h TYR 121 Ca 0.04 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.80 2cpm h TYR 121 Cb 1.08 0.15 -0.00 0.00 1.01 0.00 0.00 36.73 38.96 2cpm h TYR 121 CO 0.07 -0.17 -0.10 0.00 -1.05 0.00 0.00 178.16 176.92 2cpm h ARG 122 N -0.02 0.33 0.00 4.88 3.08 -1.41 -2.91 114.38 118.32 2cpm h ARG 122 Ca 0.17 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2cpm h ARG 122 Cb 0.27 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 2cpm h ARG 122 CO -0.37 0.67 -0.00 0.00 -1.07 0.00 0.00 179.97 179.20 2cpm h ARG 123 N -0.02 0.00 0.00 0.04 2.47 -0.93 -3.48 114.38 112.46 2cpm h ARG 123 Ca 0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2cpm h ARG 123 Cb 0.59 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.91 2cpm h ARG 123 CO 0.03 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.97 2cpm n GLY 124 N -1.31 0.36 3.37 0.04 0.00 0.14 -4.99 105.19 102.80 2cpm n GLY 124 Ca -0.03 -1.33 -0.10 0.00 0.00 0.00 0.00 46.02 44.56 2cpm n GLY 124 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cpm s SER 125 N -4.00 0.02 0.00 1.61 1.04 -1.26 -4.63 113.70 106.48 2cpm s SER 125 Ca 0.00 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.52 2cpm s SER 125 Cb 0.00 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.58 2cpm s SER 125 CO 0.00 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.90 2cpm n GLY 126 N -0.25 -1.73 3.58 7.32 0.00 -1.26 -5.16 105.19 107.69 2cpm n GLY 126 Ca -0.06 0.51 -0.30 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 -1.49 0.10 1.61 0.04 -1.26 -5.07 135.00 128.93 2cpm s PRO 127 Ca 0.00 -0.16 0.10 0.00 0.04 0.00 0.00 61.00 60.97 2cpm s PRO 127 Cb 0.00 -1.57 -0.04 0.00 0.04 0.00 0.00 34.50 32.93 2cpm s PRO 127 CO 0.00 -3.87 -0.24 0.45 0.04 0.00 0.00 177.00 173.39 2cpm s SER 128 N -3.97 3.50 -0.23 6.66 0.15 -1.26 -5.08 113.70 113.47 2cpm s SER 128 Ca 0.72 -0.64 -0.29 0.00 0.70 0.00 0.00 55.95 56.44 2cpm s SER 128 Cb -0.08 -0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 63.83 2cpm s SER 128 CO 0.56 0.20 1.85 -0.44 1.20 0.00 0.00 173.24 176.61 2cpm s SER 129 N -1.88 6.01 0.00 5.45 0.01 -1.26 -5.33 113.70 116.69 2cpm s SER 129 Ca 0.15 1.68 0.00 0.00 1.31 0.00 0.00 55.95 59.09 2cpm s SER 129 Cb -0.10 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2cpm s SER 129 CO 0.06 -1.55 0.00 0.61 0.41 0.00 0.00 173.24 172.77