#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 1.69 0.21 1.61 0.01 -1.26 -5.17 113.70 110.79 2cpm s SER 38 Ca 0.00 -1.17 0.10 0.00 1.31 0.00 0.00 55.95 56.19 2cpm s SER 38 Cb 0.00 0.03 -0.05 0.00 0.21 0.00 0.00 66.02 66.22 2cpm s SER 38 CO 0.00 -0.49 -0.20 -0.44 0.41 0.00 0.00 173.24 172.52 2cpm s SER 39 N -3.25 3.09 -0.12 2.44 0.01 -1.26 -5.03 113.70 109.58 2cpm s SER 39 Ca 0.25 -0.93 -0.03 0.00 1.31 0.00 0.00 55.95 56.55 2cpm s SER 39 Cb 0.05 -0.22 -0.06 0.00 0.21 0.00 0.00 66.02 66.00 2cpm s SER 39 CO 0.06 0.00 2.77 0.61 0.41 0.00 0.00 173.24 177.09 2cpm n GLY 40 N -0.06 3.25 3.30 3.44 0.00 -1.26 -4.81 105.19 109.04 2cpm n GLY 40 Ca -0.10 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.82 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 1.45 -0.31 -0.03 1.61 0.15 -1.26 -5.13 113.70 110.19 2cpm s SER 41 Ca 0.41 0.32 -0.30 0.00 0.70 0.00 0.00 55.95 57.08 2cpm s SER 41 Cb 0.23 0.44 -0.06 0.00 -1.71 0.00 0.00 66.02 64.92 2cpm s SER 41 CO -0.04 -0.42 1.60 -0.94 1.20 0.00 0.00 173.24 174.64 2cpm s SER 42 N -1.03 6.70 0.00 5.45 1.04 -1.26 -4.60 113.70 119.99 2cpm s SER 42 Ca -0.11 2.24 0.00 0.00 0.48 0.00 0.00 55.95 58.57 2cpm s SER 42 Cb -0.04 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.54 2cpm s SER 42 CO 0.05 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 174.00 2cpm n GLY 43 N 4.01 -0.38 0.90 7.32 0.00 -1.26 -4.94 105.19 110.83 2cpm n GLY 43 Ca 0.16 0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.12 2.98 -0.09 1.61 0.00 -1.26 -4.57 117.38 113.94 2cpm n GLN 44 Ca 0.00 -2.37 -0.11 0.00 0.00 0.00 0.00 57.00 54.52 2cpm n GLN 44 Cb 0.00 -1.48 -0.04 0.00 0.00 0.00 0.00 30.24 28.71 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 2.55 0.45 -0.19 2.61 1.57 -1.92 -3.30 116.57 118.36 2cpm h LYS 45 Ca 0.00 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.65 2cpm h LYS 45 Cb 0.98 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 2cpm h LYS 45 CO 0.07 0.62 -0.11 0.28 -0.57 0.00 0.00 179.45 179.74 2cpm n VAL 46 N -4.63 -0.13 -0.34 0.50 0.31 -1.26 -0.62 118.33 112.16 2cpm n VAL 46 Ca -0.03 1.29 -0.11 0.00 -0.01 0.00 0.00 64.34 65.47 2cpm n VAL 46 Cb 0.24 -1.67 -0.10 0.00 -0.91 0.00 0.00 33.84 31.40 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 -0.10 -0.79 5.55 5.08 -1.92 0.18 114.58 122.58 2cpm h GLU 47 Ca 0.03 0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.56 2cpm h GLU 47 Cb 0.08 0.02 -0.15 0.00 0.50 0.00 0.00 28.75 29.20 2cpm h GLU 47 CO -0.17 -0.07 -0.16 0.35 -1.00 0.00 0.00 179.01 177.96 2cpm h PHE 48 N -0.11 -0.35 -0.49 4.33 3.57 -0.96 0.21 116.94 123.14 2cpm h PHE 48 Ca 0.14 0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.78 2cpm h PHE 48 Cb 0.47 0.28 -0.06 0.00 2.79 0.00 0.00 35.95 39.42 2cpm h PHE 48 CO -0.94 -0.33 0.16 -0.09 -2.23 0.00 0.00 178.31 174.88 2cpm h ARG 49 N 0.01 0.31 -0.04 1.11 2.43 0.66 -2.22 114.38 116.65 2cpm h ARG 49 Ca 0.39 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.58 2cpm h ARG 49 Cb 0.62 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.04 2cpm h ARG 49 CO -0.79 0.21 -0.35 0.87 -1.51 0.00 0.00 179.97 178.40 2cpm h LYS 50 N 0.32 -0.46 -0.67 0.20 1.79 0.36 -1.21 116.57 116.90 2cpm h LYS 50 Ca 0.24 0.03 0.13 0.00 -2.18 0.00 0.00 60.65 58.87 2cpm h LYS 50 Cb 0.27 0.10 -0.09 0.00 -1.58 0.00 0.00 32.23 30.93 2cpm h LYS 50 CO -0.26 -0.31 0.19 -0.09 -1.08 0.00 0.00 179.45 177.90 2cpm h ARG 51 N -0.48 0.31 -0.84 3.15 2.43 -1.03 -0.08 114.38 117.84 2cpm h ARG 51 Ca 0.07 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.28 2cpm h ARG 51 Cb 0.58 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.00 2cpm h ARG 51 CO -0.31 0.20 0.52 0.52 -1.51 0.00 0.00 179.97 179.40 2cpm h MET 52 N 0.32 0.93 -0.14 0.20 2.86 -0.74 0.53 114.93 118.88 2cpm h MET 52 Ca 0.36 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.97 2cpm h MET 52 Cb 0.56 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 2cpm h MET 52 CO -0.42 0.61 0.02 0.93 1.06 0.00 0.00 176.91 179.12 2cpm h GLU 53 N 0.96 0.08 -0.25 1.72 5.08 0.13 0.26 114.58 122.56 2cpm h GLU 53 Ca 0.37 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.70 2cpm h GLU 53 Cb 0.16 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2cpm h GLU 53 CO -0.17 0.05 0.06 -0.22 -1.00 0.00 0.00 179.01 177.73 2cpm h LYS 54 N 0.08 0.39 0.86 2.33 1.63 -0.93 -2.12 116.57 118.82 2cpm h LYS 54 Ca 0.06 -0.10 -0.04 0.00 -0.85 0.00 0.00 60.65 59.73 2cpm h LYS 54 Cb 0.06 -0.05 0.01 0.00 -0.60 0.00 0.00 32.23 31.64 2cpm h LYS 54 CO -0.09 0.50 -0.42 0.93 -3.45 0.00 0.00 179.45 176.92 2cpm h GLU 55 N 0.22 -1.12 -0.12 1.90 4.39 -0.69 -1.86 114.58 117.29 2cpm h GLU 55 Ca 0.08 0.08 0.02 0.00 0.34 0.00 0.00 59.36 59.88 2cpm h GLU 55 Cb 0.28 0.26 -0.05 0.00 -0.10 0.00 0.00 28.75 29.14 2cpm h GLU 55 CO 0.00 -0.75 -0.41 0.28 -1.16 0.00 0.00 179.01 176.97 2cpm h VAL 56 N -1.17 0.00 -0.64 3.13 2.07 -0.53 -1.57 116.25 117.55 2cpm h VAL 56 Ca -0.12 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.50 2cpm h VAL 56 Cb 0.90 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.55 2cpm h VAL 56 CO 0.19 0.00 -0.40 -1.28 0.02 0.00 0.00 177.57 176.10 2cpm h SER 57 N -0.43 -1.39 -0.88 0.57 0.87 -1.41 0.29 113.55 111.17 2cpm h SER 57 Ca 0.03 0.25 0.22 0.00 -1.23 0.00 0.00 61.79 61.05 2cpm h SER 57 Cb 0.51 0.66 -0.12 0.00 -0.44 0.00 0.00 62.40 63.00 2cpm h SER 57 CO -0.34 -0.32 0.37 -0.78 -0.53 0.00 0.00 176.83 175.23 2cpm h ASP 58 N -0.17 0.28 -0.61 6.23 3.58 -0.77 0.19 116.42 125.15 2cpm h ASP 58 Ca 0.22 0.16 -0.07 0.00 0.42 0.00 0.00 57.03 57.76 2cpm h ASP 58 Cb 0.56 0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.73 2cpm h ASP 58 CO -0.73 -0.02 0.12 0.15 -2.88 0.00 0.00 179.24 175.89 2cpm h PHE 59 N 0.38 1.05 0.04 0.28 3.04 0.48 -2.22 116.94 119.98 2cpm h PHE 59 Ca 0.55 -0.14 0.03 0.00 3.98 0.00 0.00 57.97 62.39 2cpm h PHE 59 Cb 1.04 -0.29 -0.04 0.00 2.56 0.00 0.00 35.95 39.22 2cpm h PHE 59 CO -0.16 0.89 -0.28 0.82 -2.02 0.00 0.00 178.31 177.57 2cpm h ILE 60 N 0.90 0.38 -0.83 1.41 2.04 0.76 -2.32 117.51 119.86 2cpm h ILE 60 Ca 0.19 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.06 2cpm h ILE 60 Cb 0.39 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 2cpm h ILE 60 CO 0.01 0.00 0.54 1.56 0.00 0.00 0.00 178.15 180.26 2cpm h GLN 61 N -0.45 1.07 -6.07 2.37 4.20 -1.37 -3.41 115.11 111.45 2cpm h GLN 61 Ca 0.05 -0.06 -0.64 0.00 0.06 0.00 0.00 58.65 58.06 2cpm h GLN 61 Cb 0.51 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 2cpm h GLN 61 CO -0.21 0.71 1.33 -0.25 -0.67 0.00 0.00 178.83 179.74 2cpm n ASP 62 N -4.52 2.82 0.14 1.46 9.92 -0.84 -4.87 116.55 120.65 2cpm n ASP 62 Ca 0.09 0.54 -0.08 0.00 -0.53 0.00 0.00 54.79 54.81 2cpm n ASP 62 Cb 0.03 -1.37 -0.04 0.00 -0.64 0.00 0.00 41.12 39.10 2cpm n ASP 62 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 2cpm h SER 63 N 12.04 -0.36 -1.16 -2.24 0.87 -1.82 -3.27 113.55 117.61 2cpm h SER 63 Ca -0.38 -0.07 0.35 0.00 -1.23 0.00 0.00 61.79 60.47 2cpm h SER 63 Cb 1.29 0.09 -0.12 0.00 -0.44 0.00 0.00 62.40 63.22 2cpm h SER 63 CO 0.98 0.10 0.73 1.23 -0.53 0.00 0.00 176.83 179.34 2cpm h GLY 64 N -1.07 1.43 -4.64 5.77 0.00 -1.95 -3.38 103.07 99.23 2cpm h GLY 64 Ca -0.04 -0.17 -0.54 0.00 0.00 0.00 0.00 47.33 46.57 2cpm h GLY 64 CO 0.07 -0.33 0.62 1.20 0.00 0.00 0.00 176.54 178.10 2cpm s GLN 65 N -5.44 4.40 -0.07 4.80 -1.52 -1.23 -4.90 119.66 115.70 2cpm s GLN 65 Ca -0.08 1.71 0.06 0.00 -1.95 0.00 0.00 55.36 55.09 2cpm s GLN 65 Cb 0.28 -3.46 -0.09 0.00 -0.22 0.00 0.00 33.01 29.52 2cpm s GLN 65 CO 0.81 -0.35 0.03 0.44 -0.25 0.00 0.00 175.29 175.97 2cpm n ILE 66 N 4.28 0.47 -3.85 1.08 -5.35 -1.26 -4.91 119.36 109.82 2cpm n ILE 66 Ca 0.10 -0.29 -0.09 0.00 -0.27 0.00 0.00 62.75 62.20 2cpm n ILE 66 Cb 0.46 -0.79 -0.07 0.00 -1.74 0.00 0.00 39.64 37.51 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 -2.18 0.91 -0.09 6.28 -2.85 -1.26 -2.32 119.74 118.23 2cpm s LYS 67 Ca -0.03 -0.96 -0.04 0.00 -1.00 0.00 0.00 55.97 53.93 2cpm s LYS 67 Cb 0.02 0.36 0.04 0.00 -2.06 0.00 0.00 37.83 36.20 2cpm s LYS 67 CO 0.29 -0.30 0.21 0.21 0.10 0.00 0.00 175.35 175.85 2cpm s LYS 68 N -3.87 0.15 -0.25 1.78 2.20 -0.80 -5.03 119.74 113.93 2cpm s LYS 68 Ca 0.06 0.49 -0.07 0.00 -0.36 0.00 0.00 55.97 56.09 2cpm s LYS 68 Cb 0.04 -0.15 -0.03 0.00 -1.51 0.00 0.00 37.83 36.19 2cpm s LYS 68 CO -0.10 -0.18 0.08 0.21 -0.36 0.00 0.00 175.35 175.00 2cpm s LYS 69 N 1.33 3.69 0.51 4.03 2.20 -1.26 -1.58 119.74 128.66 2cpm s LYS 69 Ca -0.08 -0.46 0.02 0.00 -0.36 0.00 0.00 55.97 55.09 2cpm s LYS 69 Cb -0.11 -3.33 0.02 0.00 -1.51 0.00 0.00 37.83 32.90 2cpm s LYS 69 CO -0.08 -0.16 0.72 -0.06 -0.36 0.00 0.00 175.35 175.41 2cpm s PHE 70 N 1.55 2.90 -0.07 4.03 0.08 0.02 -5.02 117.98 121.47 2cpm s PHE 70 Ca 0.06 -0.05 0.01 0.00 0.12 0.00 0.00 56.93 57.07 2cpm s PHE 70 Cb -0.15 -2.61 -0.03 0.00 -0.57 0.00 0.00 43.02 39.66 2cpm s PHE 70 CO 0.04 -0.71 -0.10 -0.65 -0.10 0.00 0.00 175.22 173.70 2cpm s GLN 71 N -4.65 2.77 -1.09 0.44 -1.52 -1.26 -3.99 119.66 110.35 2cpm s GLN 71 Ca 0.55 -0.61 -0.23 0.00 -1.95 0.00 0.00 55.36 53.12 2cpm s GLN 71 Cb -0.10 -2.53 -0.07 0.00 -0.22 0.00 0.00 33.01 30.08 2cpm s GLN 71 CO 0.37 0.59 1.94 -1.25 -0.25 0.00 0.00 175.29 176.69 2cpm s PRO 72 N -0.61 2.52 0.04 2.91 0.04 -1.26 -4.73 135.00 133.90 2cpm s PRO 72 Ca 0.09 -0.87 -0.17 0.00 0.04 0.00 0.00 61.00 60.09 2cpm s PRO 72 Cb -0.11 -5.18 -0.26 0.00 0.04 0.00 0.00 34.50 28.98 2cpm s PRO 72 CO 0.02 -3.78 1.10 0.52 0.04 0.00 0.00 177.00 174.90 2cpm h MET 73 N 10.25 0.56 -5.13 4.56 2.86 -1.96 -3.47 114.93 122.60 2cpm h MET 73 Ca 0.18 -0.68 -0.56 0.00 -2.06 0.00 0.00 59.70 56.57 2cpm h MET 73 Cb 0.96 0.21 -0.13 0.00 0.06 0.00 0.00 31.60 32.70 2cpm h MET 73 CO 1.22 1.28 -0.54 1.21 1.06 0.00 0.00 176.91 181.15 2cpm s ASN 74 N -7.17 2.97 -0.03 1.22 3.84 -1.26 -5.07 114.94 109.43 2cpm s ASN 74 Ca -0.11 -1.60 0.03 0.00 0.21 0.00 0.00 52.86 51.39 2cpm s ASN 74 Cb 0.05 0.35 -0.25 0.00 -0.55 0.00 0.00 41.25 40.85 2cpm s ASN 74 CO 0.89 -0.83 0.71 0.11 -2.79 0.00 0.00 177.10 175.19 2cpm h LYS 75 N 1.78 0.14 0.05 0.43 1.57 -1.99 -3.39 116.57 115.17 2cpm h LYS 75 Ca -0.38 -0.24 -0.34 0.00 -1.87 0.00 0.00 60.65 57.81 2cpm h LYS 75 Cb 1.27 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.63 2cpm h LYS 75 CO 0.63 0.89 -1.99 -0.89 -0.57 0.00 0.00 179.45 177.53 2cpm n ILE 76 N -3.30 1.64 -0.43 1.86 2.08 -1.26 -4.20 119.36 115.75 2cpm n ILE 76 Ca -0.19 -0.72 0.37 0.00 0.56 0.00 0.00 62.75 62.77 2cpm n ILE 76 Cb 1.04 -1.30 0.64 0.00 -0.75 0.00 0.00 39.64 39.27 2cpm n ILE 76 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2cpm h GLU 77 N 0.03 0.04 0.04 0.38 3.07 -1.98 0.29 114.58 116.45 2cpm h GLU 77 Ca -0.40 -0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.48 2cpm h GLU 77 Cb 2.04 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 29.89 2cpm h GLU 77 CO 0.06 0.03 -0.34 -0.09 -1.40 0.00 0.00 179.01 177.27 2cpm h ARG 78 N 0.04 -0.50 -0.32 2.33 1.12 -1.76 0.39 114.38 115.69 2cpm h ARG 78 Ca 0.85 0.03 -0.00 0.00 -1.11 0.00 0.00 59.98 59.75 2cpm h ARG 78 Cb 2.59 0.11 -0.02 0.00 -0.01 0.00 0.00 29.97 32.65 2cpm h ARG 78 CO -0.52 -0.33 0.20 1.03 -3.11 0.00 0.00 179.97 177.23 2cpm h SER 79 N -0.51 0.38 -0.17 -3.80 0.87 -0.70 -1.95 113.55 107.67 2cpm h SER 79 Ca 0.05 -0.05 0.05 0.00 -1.23 0.00 0.00 61.79 60.61 2cpm h SER 79 Cb 0.58 -0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.38 2cpm h SER 79 CO -0.25 0.32 -0.24 0.40 -0.53 0.00 0.00 176.83 176.53 2cpm h ILE 80 N 0.41 0.41 -0.35 2.23 2.04 -1.03 -1.82 117.51 119.41 2cpm h ILE 80 Ca 0.12 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.02 2cpm h ILE 80 Cb 0.00 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 2cpm h ILE 80 CO -0.02 0.00 0.10 0.25 0.00 0.00 0.00 178.15 178.48 2cpm h LEU 81 N -0.29 0.09 -0.82 1.44 5.85 -0.78 -1.98 115.31 118.82 2cpm h LEU 81 Ca 0.11 0.04 0.17 0.00 0.84 0.00 0.00 57.88 59.05 2cpm h LEU 81 Cb 0.46 0.04 -0.11 0.00 0.37 0.00 0.00 40.66 41.42 2cpm h LEU 81 CO -0.33 0.09 0.34 0.45 -0.34 0.00 0.00 178.44 178.64 2cpm h HIS 82 N 0.24 0.57 0.21 1.25 3.86 -0.71 -0.49 115.15 120.07 2cpm h HIS 82 Ca 0.16 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 2cpm h HIS 82 Cb 0.15 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.50 2cpm h HIS 82 CO -0.16 0.02 -0.10 0.22 0.86 0.00 0.00 177.93 178.78 2cpm h ASP 83 N 0.43 -0.24 -0.87 2.45 3.58 -0.62 -1.63 116.42 119.52 2cpm h ASP 83 Ca 0.47 -0.06 0.13 0.00 0.42 0.00 0.00 57.03 57.99 2cpm h ASP 83 Cb 0.79 0.06 -0.07 0.00 1.72 0.00 0.00 39.33 41.84 2cpm h ASP 83 CO -0.46 -0.09 0.56 0.58 -2.88 0.00 0.00 179.24 176.96 2cpm h VAL 84 N -0.38 0.86 0.49 2.25 2.07 -0.78 -2.11 116.25 118.66 2cpm h VAL 84 Ca -0.03 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 2cpm h VAL 84 Cb 0.29 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2cpm h VAL 84 CO 0.05 0.13 -0.24 0.58 0.02 0.00 0.00 177.57 178.11 2cpm h VAL 85 N 0.71 0.00 -1.26 2.57 2.07 -0.83 -1.85 116.25 117.66 2cpm h VAL 85 Ca 0.43 -0.23 0.39 0.00 0.82 0.00 0.00 66.70 68.11 2cpm h VAL 85 Cb 0.66 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.32 2cpm h VAL 85 CO -0.19 0.00 0.82 1.05 0.02 0.00 0.00 177.57 179.27 2cpm h GLU 86 N -0.90 0.16 -0.24 1.57 -0.00 -1.08 0.78 114.58 114.87 2cpm h GLU 86 Ca -0.07 -0.01 -0.20 0.00 -0.00 0.00 0.00 59.36 59.08 2cpm h GLU 86 Cb 0.51 -0.04 0.00 0.00 -0.00 0.00 0.00 28.75 29.23 2cpm h GLU 86 CO 0.11 0.10 -0.62 0.28 -0.00 0.00 0.00 179.01 178.88 2cpm h VAL 87 N 0.16 1.27 -0.29 -1.06 2.07 -1.32 -3.15 116.25 113.94 2cpm h VAL 87 Ca 0.75 -1.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.40 2cpm h VAL 87 Cb 2.30 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 33.81 2cpm h VAL 87 CO -0.35 0.58 -0.08 0.00 0.02 0.00 0.00 177.57 177.75 2cpm h ALA 88 N 0.63 1.32 0.00 1.67 0.00 0.14 -3.47 119.26 119.55 2cpm h ALA 88 Ca -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2cpm h ALA 88 Cb 1.24 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2cpm h ALA 88 CO 0.14 0.46 0.00 0.41 0.00 0.00 0.00 179.25 180.25 2cpm n GLY 89 N -0.75 1.50 3.44 0.00 0.00 -0.36 -5.10 105.19 103.91 2cpm n GLY 89 Ca 0.01 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 2.44 0.11 0.99 1.43 -1.20 -4.83 118.68 117.62 2cpm s LEU 90 Ca 0.00 -1.23 -0.23 0.00 -1.03 0.00 0.00 54.13 51.64 2cpm s LEU 90 Cb 0.00 -0.59 -0.07 0.00 0.03 0.00 0.00 46.19 45.56 2cpm s LEU 90 CO 0.00 -0.40 0.68 -0.89 0.23 0.00 0.00 176.35 175.97 2cpm s THR 91 N -3.06 4.58 -0.01 5.49 2.01 -0.91 -4.17 115.64 119.57 2cpm s THR 91 Ca 0.31 1.47 0.03 0.00 0.31 0.00 0.00 61.69 63.81 2cpm s THR 91 Cb 0.05 -4.03 -0.01 0.00 0.01 0.00 0.00 72.50 68.53 2cpm s THR 91 CO 0.13 0.52 -0.09 -0.94 -0.69 0.00 0.00 174.62 173.54 2cpm s SER 92 N -0.99 1.07 -0.24 3.53 1.04 -1.26 -1.26 113.70 115.59 2cpm s SER 92 Ca 0.33 -0.16 -0.12 0.00 0.48 0.00 0.00 55.95 56.48 2cpm s SER 92 Cb -0.21 -0.14 0.08 0.00 0.10 0.00 0.00 66.02 65.85 2cpm s SER 92 CO 0.23 0.10 0.56 -0.36 0.98 0.00 0.00 173.24 174.75 2cpm s PHE 93 N -0.16 -0.92 -0.48 5.02 0.08 -0.81 -5.01 117.98 115.70 2cpm s PHE 93 Ca 0.03 1.81 -0.25 0.00 0.12 0.00 0.00 56.93 58.64 2cpm s PHE 93 Cb -0.04 0.50 0.03 0.00 -0.57 0.00 0.00 43.02 42.94 2cpm s PHE 93 CO -0.00 -0.48 0.91 -1.54 -0.10 0.00 0.00 175.22 174.01 2cpm s SER 94 N 1.84 6.46 -0.16 1.36 1.04 -1.26 -1.78 113.70 121.20 2cpm s SER 94 Ca -0.08 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.35 2cpm s SER 94 Cb -0.08 -2.44 -0.00 0.00 0.10 0.00 0.00 66.02 63.60 2cpm s SER 94 CO -0.17 -1.07 -0.15 -0.36 0.98 0.00 0.00 173.24 172.48 2cpm s PHE 95 N 3.74 2.79 0.01 5.02 0.08 -0.69 -4.93 117.98 124.00 2cpm s PHE 95 Ca 0.35 -1.03 0.01 0.00 0.12 0.00 0.00 56.93 56.38 2cpm s PHE 95 Cb -0.11 -1.90 -0.01 0.00 -0.57 0.00 0.00 43.02 40.43 2cpm s PHE 95 CO 0.25 -0.47 -0.04 0.20 -0.10 0.00 0.00 175.22 175.06 2cpm s GLY 96 N 0.84 0.24 0.08 4.36 0.00 -1.26 -2.92 107.32 108.66 2cpm s GLY 96 Ca -0.05 -0.36 -0.16 0.00 0.00 0.00 0.00 44.72 44.15 2cpm s GLY 96 CO -0.00 -0.37 1.38 0.83 0.00 0.00 0.00 173.10 174.93 2cpm h GLU 97 N 5.44 0.61 -5.91 2.90 4.39 -1.97 -3.46 114.58 116.58 2cpm h GLU 97 Ca -0.29 -0.35 -0.60 0.00 0.34 0.00 0.00 59.36 58.46 2cpm h GLU 97 Cb 1.20 0.02 -0.11 0.00 -0.10 0.00 0.00 28.75 29.76 2cpm h GLU 97 CO 0.46 0.95 -0.61 -0.51 -1.16 0.00 0.00 179.01 178.15 2cpm s ASP 98 N -6.49 4.06 0.18 1.42 1.11 -1.23 -5.03 116.67 110.68 2cpm s ASP 98 Ca -0.13 -1.12 -0.11 0.00 0.18 0.00 0.00 52.55 51.37 2cpm s ASP 98 Cb 0.08 -0.46 0.08 0.00 1.07 0.00 0.00 42.92 43.69 2cpm s ASP 98 CO 0.82 -0.32 1.73 -0.78 1.18 0.00 0.00 175.17 177.79 2cpm h ASP 99 N 1.79 0.86 -0.30 0.27 3.58 -2.03 -3.00 116.42 117.59 2cpm h ASP 99 Ca -0.43 -0.18 -0.13 0.00 0.42 0.00 0.00 57.03 56.71 2cpm h ASP 99 Cb 1.25 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 42.07 2cpm h ASP 99 CO 0.71 0.81 -0.30 -2.24 -2.88 0.00 0.00 179.24 175.34 2cpm h ASP 100 N 0.86 0.79 -3.55 2.28 2.03 -1.99 -3.41 116.42 113.43 2cpm h ASP 100 Ca 0.20 -0.47 -0.62 0.00 -0.73 0.00 0.00 57.03 55.41 2cpm h ASP 100 Cb 0.23 -0.22 -0.12 0.00 -0.83 0.00 0.00 39.33 38.38 2cpm h ASP 100 CO -0.01 1.10 0.27 0.00 -1.03 0.00 0.00 179.24 179.56 2cpm s ARG 102 N 2.94 0.28 0.42 0.00 6.06 -1.26 -3.58 118.95 123.81 2cpm s ARG 102 Ca 0.28 -0.44 0.03 0.00 -2.50 0.00 0.00 55.73 53.10 2cpm s ARG 102 Cb -0.14 -1.62 -0.00 0.00 0.06 0.00 0.00 34.95 33.25 2cpm s ARG 102 CO 0.17 -0.85 0.61 1.52 -2.50 0.00 0.00 175.30 174.25 2cpm s TYR 103 N 2.02 3.12 -0.12 5.12 -0.85 -1.15 -4.56 117.35 120.93 2cpm s TYR 103 Ca 0.05 0.02 -0.00 0.00 -0.52 0.00 0.00 57.07 56.62 2cpm s TYR 103 Cb -0.16 -2.26 -0.02 0.00 0.38 0.00 0.00 41.96 39.90 2cpm s TYR 103 CO -0.22 -0.31 -0.11 0.54 -1.52 0.00 0.00 175.55 173.93 2cpm s VAL 104 N -2.44 3.21 0.31 -3.49 0.11 -1.26 -1.70 120.40 115.14 2cpm s VAL 104 Ca 0.49 -0.61 0.09 0.00 -2.93 0.00 0.00 61.98 59.02 2cpm s VAL 104 Cb -0.10 -2.35 -0.06 0.00 -1.53 0.00 0.00 36.38 32.35 2cpm s VAL 104 CO 0.35 0.53 -0.12 -0.04 -3.33 0.00 0.00 175.10 172.50 2cpm s MET 105 N 0.18 1.70 -0.02 1.54 -1.94 -0.73 -0.80 119.30 119.23 2cpm s MET 105 Ca -0.07 -1.85 -0.05 0.00 -1.71 0.00 0.00 55.69 52.02 2cpm s MET 105 Cb -0.15 -1.57 0.01 0.00 2.01 0.00 0.00 34.83 35.13 2cpm s MET 105 CO 0.05 0.17 0.12 0.96 -0.01 0.00 0.00 175.02 176.30 2cpm s ILE 106 N -2.69 0.04 0.32 2.53 -4.36 -0.62 -1.93 121.20 114.50 2cpm s ILE 106 Ca 0.31 -0.34 0.04 0.00 -0.26 0.00 0.00 60.65 60.40 2cpm s ILE 106 Cb 0.01 -0.29 -0.06 0.00 1.25 0.00 0.00 42.46 43.36 2cpm s ILE 106 CO 0.15 -0.19 0.05 -0.36 0.24 0.00 0.00 174.94 174.82 2cpm s PHE 107 N -0.61 1.99 0.61 1.37 0.40 -0.39 -1.91 117.98 119.44 2cpm s PHE 107 Ca -0.07 -0.92 0.01 0.00 -0.60 0.00 0.00 56.93 55.35 2cpm s PHE 107 Cb -0.04 -1.30 0.07 0.00 0.51 0.00 0.00 43.02 42.26 2cpm s PHE 107 CO 0.01 0.05 0.85 0.15 0.70 0.00 0.00 175.22 176.98 2cpm s LYS 108 N -3.87 2.22 0.07 0.44 1.02 -0.98 -2.13 119.74 116.51 2cpm s LYS 108 Ca 0.36 -0.98 -0.21 0.00 0.02 0.00 0.00 55.97 55.16 2cpm s LYS 108 Cb 0.08 -2.45 -0.12 0.00 -0.52 0.00 0.00 37.83 34.82 2cpm s LYS 108 CO 0.15 -0.98 1.55 -0.22 -0.92 0.00 0.00 175.35 174.93 2cpm h LYS 109 N -0.12 0.21 0.13 1.68 1.63 -1.91 0.62 116.57 118.81 2cpm h LYS 109 Ca -0.39 -0.05 -0.28 0.00 -0.85 0.00 0.00 60.65 59.08 2cpm h LYS 109 Cb 1.29 -0.03 0.01 0.00 -0.60 0.00 0.00 32.23 32.90 2cpm h LYS 109 CO 0.47 0.38 -1.24 0.93 -3.45 0.00 0.00 179.45 176.54 2cpm h GLU 110 N 0.01 0.32 -0.67 1.90 5.08 -1.97 -3.23 114.58 116.03 2cpm h GLU 110 Ca 0.04 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2cpm h GLU 110 Cb 0.27 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2cpm h GLU 110 CO 0.00 1.24 0.00 1.19 -1.00 0.00 0.00 179.01 180.44 2cpm n PHE 111 N -3.58 1.36 -2.32 4.33 3.72 -1.21 -4.95 117.46 114.82 2cpm n PHE 111 Ca -0.09 -0.49 -0.38 0.00 -0.05 0.00 0.00 57.45 56.44 2cpm n PHE 111 Cb 1.01 -0.32 -0.02 0.00 -0.94 0.00 0.00 39.48 39.21 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 -2.08 3.12 0.70 4.37 0.00 0.22 -4.19 121.76 123.89 2cpm s ALA 112 Ca 0.39 0.93 -0.13 0.00 0.00 0.00 0.00 51.96 53.15 2cpm s ALA 112 Cb 0.28 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 20.05 2cpm s ALA 112 CO 0.14 -0.51 1.10 -1.25 0.00 0.00 0.00 175.76 175.24 2cpm s PRO 113 N -2.38 2.59 0.38 0.00 0.04 -1.26 -5.00 135.00 129.36 2cpm s PRO 113 Ca 0.58 1.30 0.02 0.00 0.04 0.00 0.00 61.00 62.95 2cpm s PRO 113 Cb -0.29 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.30 2cpm s PRO 113 CO 0.37 -1.40 0.56 -1.12 0.04 0.00 0.00 177.00 175.45 2cpm s SER 114 N -2.90 6.03 0.02 6.66 0.01 -1.26 -4.92 113.70 117.34 2cpm s SER 114 Ca 0.65 0.19 -0.10 0.00 1.31 0.00 0.00 55.95 58.00 2cpm s SER 114 Cb -0.19 -1.62 -0.05 0.00 0.21 0.00 0.00 66.02 64.37 2cpm s SER 114 CO 0.47 -0.47 1.15 -0.78 0.41 0.00 0.00 173.24 174.02 2cpm h ASP 115 N 0.68 -0.39 -0.65 2.44 3.58 -1.99 0.39 116.42 120.49 2cpm h ASP 115 Ca -0.48 0.03 0.13 0.00 0.42 0.00 0.00 57.03 57.13 2cpm h ASP 115 Cb 1.24 0.13 -0.09 0.00 1.72 0.00 0.00 39.33 42.33 2cpm h ASP 115 CO 0.58 -0.18 0.14 -0.33 -2.88 0.00 0.00 179.24 176.57 2cpm h GLU 116 N -0.27 0.26 -0.74 0.28 5.08 -2.00 -0.38 114.58 116.80 2cpm h GLU 116 Ca -0.02 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2cpm h GLU 116 Cb 0.24 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 2cpm h GLU 116 CO -0.03 0.17 0.46 0.93 -1.00 0.00 0.00 179.01 179.54 2cpm h GLU 117 N 0.26 0.85 0.09 2.33 5.08 -1.92 -2.39 114.58 118.88 2cpm h GLU 117 Ca 0.35 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.68 2cpm h GLU 117 Cb 0.54 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2cpm h GLU 117 CO -0.44 0.56 -0.24 -0.07 -1.00 0.00 0.00 179.01 177.82 2cpm h LEU 118 N 0.87 -0.70 -0.48 1.33 3.38 0.15 0.70 115.31 120.56 2cpm h LEU 118 Ca 0.31 0.09 0.09 0.00 0.09 0.00 0.00 57.88 58.46 2cpm h LEU 118 Cb 0.08 0.27 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 2cpm h LEU 118 CO -0.13 -0.33 0.01 -0.78 0.09 0.00 0.00 178.44 177.30 2cpm h ASP 119 N -0.43 -0.18 0.84 -0.43 1.82 -1.14 0.71 116.42 117.61 2cpm h ASP 119 Ca 0.04 0.11 -0.06 0.00 -0.39 0.00 0.00 57.03 56.73 2cpm h ASP 119 Cb 0.47 0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.66 2cpm h ASP 119 CO -0.16 -0.06 -0.27 0.77 -1.61 0.00 0.00 179.24 177.91 2cpm h SER 120 N 0.13 0.00 0.06 2.28 4.64 -1.00 -2.28 113.55 117.38 2cpm h SER 120 Ca 0.24 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.46 2cpm h SER 120 Cb 0.36 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 2cpm h SER 120 CO -0.39 0.27 -0.32 1.88 -0.87 0.00 0.00 176.83 177.40 2cpm h TYR 121 N 0.00 0.43 0.21 4.77 0.05 0.27 -1.84 116.97 120.87 2cpm h TYR 121 Ca -0.00 -0.10 -0.35 0.00 0.05 0.00 0.00 58.73 58.33 2cpm h TYR 121 Cb 0.76 -0.10 0.02 0.00 1.01 0.00 0.00 36.73 38.42 2cpm h TYR 121 CO 0.00 0.66 -1.66 0.00 -1.05 0.00 0.00 178.16 176.11 2cpm h ARG 122 N 0.33 0.44 0.00 4.88 3.08 -1.11 -3.30 114.38 118.70 2cpm h ARG 122 Ca 0.04 -0.75 -0.03 0.00 0.07 0.00 0.00 59.98 59.31 2cpm h ARG 122 Cb 0.73 0.28 -0.00 0.00 0.08 0.00 0.00 29.97 31.06 2cpm h ARG 122 CO 0.06 1.36 -0.15 0.07 -1.07 0.00 0.00 179.97 180.24 2cpm h ARG 123 N 0.12 0.00 0.00 0.04 0.11 -1.38 -3.48 114.38 109.79 2cpm h ARG 123 Ca -0.31 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.77 2cpm h ARG 123 Cb 2.12 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.20 2cpm h ARG 123 CO 0.21 0.15 0.00 0.41 0.10 0.00 0.00 179.97 180.84 2cpm n GLY 124 N -0.80 0.62 0.28 0.08 0.00 -0.70 -3.25 105.19 101.42 2cpm n GLY 124 Ca -0.02 -0.84 0.05 0.00 0.00 0.00 0.00 46.02 45.20 2cpm n GLY 124 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cpm n SER 125 N -2.46 -0.28 0.00 1.61 2.88 -1.26 -4.86 113.62 109.25 2cpm n SER 125 Ca 0.00 1.35 0.00 0.00 -1.33 0.00 0.00 58.87 58.89 2cpm n SER 125 Cb 0.00 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 2cpm n SER 125 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cpm n GLY 126 N -1.49 -0.30 3.69 0.46 0.00 -1.20 -5.16 105.19 101.19 2cpm n GLY 126 Ca 0.13 0.54 -0.29 0.00 0.00 0.00 0.00 46.02 46.39 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 0.71 0.66 1.61 0.04 -1.26 -4.87 135.00 131.88 2cpm s PRO 127 Ca 0.00 0.63 -0.17 0.00 0.04 0.00 0.00 61.00 61.50 2cpm s PRO 127 Cb 0.00 -1.76 -0.02 0.00 0.04 0.00 0.00 34.50 32.76 2cpm s PRO 127 CO 0.00 -2.57 0.98 0.45 0.04 0.00 0.00 177.00 175.90 2cpm n SER 128 N -4.08 0.69 -3.76 6.66 2.88 -1.26 -5.03 113.62 109.72 2cpm n SER 128 Ca 0.06 0.74 -0.13 0.00 -1.33 0.00 0.00 58.87 58.22 2cpm n SER 128 Cb 0.56 -1.40 -0.08 0.00 -0.75 0.00 0.00 64.21 62.54 2cpm n SER 128 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2cpm s SER 129 N -1.42 -0.15 0.00 -3.46 1.04 -1.26 -5.21 113.70 103.23 2cpm s SER 129 Ca 0.76 -0.04 0.25 0.00 0.48 0.00 0.00 55.95 57.39 2cpm s SER 129 Cb -0.38 0.32 0.32 0.00 0.10 0.00 0.00 66.02 66.38 2cpm s SER 129 CO 0.47 -0.51 1.33 0.61 0.98 0.00 0.00 173.24 176.13