#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 3.02 0.42 1.61 1.04 -1.26 -5.12 113.70 113.42 2cpm s SER 38 Ca 0.00 -0.62 -0.22 0.00 0.48 0.00 0.00 55.95 55.58 2cpm s SER 38 Cb 0.00 -1.38 -0.10 0.00 0.10 0.00 0.00 66.02 64.65 2cpm s SER 38 CO 0.00 -0.03 1.00 -0.44 0.98 0.00 0.00 173.24 174.75 2cpm s SER 39 N 1.35 6.80 -1.22 7.02 0.01 -1.26 -4.93 113.70 121.47 2cpm s SER 39 Ca 0.04 1.86 -0.21 0.00 1.31 0.00 0.00 55.95 58.96 2cpm s SER 39 Cb -0.13 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.50 2cpm s SER 39 CO -0.12 -0.46 1.87 0.61 0.41 0.00 0.00 173.24 175.56 2cpm n GLY 40 N -0.10 1.62 0.44 3.44 0.00 -1.26 -4.81 105.19 104.52 2cpm n GLY 40 Ca 0.06 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 2cpm n GLY 40 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2cpm h SER 41 N 8.89 -1.81 -3.64 1.61 0.87 -2.06 -3.37 113.55 114.06 2cpm h SER 41 Ca 0.31 0.24 -0.65 0.00 -1.23 0.00 0.00 61.79 60.45 2cpm h SER 41 Cb 0.91 0.74 -0.16 0.00 -0.44 0.00 0.00 62.40 63.45 2cpm h SER 41 CO 1.33 -0.39 -0.15 -0.94 -0.53 0.00 0.00 176.83 176.15 2cpm s SER 42 N -4.97 6.27 0.00 6.23 1.04 -1.26 -4.37 113.70 116.64 2cpm s SER 42 Ca -0.14 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.25 2cpm s SER 42 Cb 0.08 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.96 2cpm s SER 42 CO 0.59 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 175.02 2cpm n GLY 43 N 4.82 2.98 0.24 7.32 0.00 -1.26 -4.99 105.19 114.30 2cpm n GLY 43 Ca -0.07 -0.39 0.21 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.05 -0.26 1.61 -0.00 -1.26 0.14 117.38 117.57 2cpm n GLN 44 Ca 0.00 1.02 0.07 0.00 -0.00 0.00 0.00 57.00 58.09 2cpm n GLN 44 Cb 0.00 -1.78 0.15 0.00 -0.00 0.00 0.00 30.24 28.60 2cpm n GLN 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2cpm n LYS 45 N -4.71 -0.06 -0.11 2.61 5.02 -1.26 -0.83 118.16 118.82 2cpm n LYS 45 Ca 0.25 1.10 -0.03 0.00 -2.02 0.00 0.00 58.31 57.62 2cpm n LYS 45 Cb 0.86 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 34.15 2cpm n LYS 45 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2cpm n VAL 46 N -5.10 -0.17 -0.19 -0.18 0.31 0.12 -0.07 118.33 113.05 2cpm n VAL 46 Ca 0.14 1.34 -0.07 0.00 -0.01 0.00 0.00 64.34 65.73 2cpm n VAL 46 Cb 0.44 -1.72 -0.02 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 -0.21 0.21 5.55 3.07 -1.20 -1.64 114.58 120.36 2cpm h GLU 47 Ca 0.04 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 2cpm h GLU 47 Cb 0.10 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.02 2cpm h GLU 47 CO -0.24 -0.14 -0.49 0.35 -1.40 0.00 0.00 179.01 177.09 2cpm h PHE 48 N -0.22 -1.39 -0.98 4.33 3.57 -0.61 -2.07 116.94 119.57 2cpm h PHE 48 Ca 0.19 0.03 0.22 0.00 3.53 0.00 0.00 57.97 61.95 2cpm h PHE 48 Cb 0.56 0.58 -0.18 0.00 2.79 0.00 0.00 35.95 39.70 2cpm h PHE 48 CO -0.67 -0.57 -0.14 -0.09 -2.23 0.00 0.00 178.31 174.61 2cpm h ARG 49 N -0.76 0.00 0.12 1.11 2.43 0.20 0.24 114.38 117.71 2cpm h ARG 49 Ca -0.02 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2cpm h ARG 49 Cb 0.73 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.25 2cpm h ARG 49 CO -0.21 0.00 -0.26 0.87 -1.51 0.00 0.00 179.97 178.86 2cpm h LYS 50 N 0.00 -0.45 -0.45 0.20 1.57 -0.66 -2.06 116.57 114.73 2cpm h LYS 50 Ca 0.52 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 59.42 2cpm h LYS 50 Cb 0.92 0.10 -0.09 0.00 0.08 0.00 0.00 32.23 33.23 2cpm h LYS 50 CO -0.97 -0.30 -0.20 -0.09 -0.57 0.00 0.00 179.45 177.32 2cpm h ARG 51 N -0.47 -0.10 -0.62 3.15 2.43 0.00 -0.64 114.38 118.14 2cpm h ARG 51 Ca 0.03 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.32 2cpm h ARG 51 Cb 0.49 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 29.98 2cpm h ARG 51 CO -0.15 -0.07 0.15 0.52 -1.51 0.00 0.00 179.97 178.91 2cpm h MET 52 N -0.10 0.27 -0.89 0.20 2.86 -0.96 0.22 114.93 116.53 2cpm h MET 52 Ca 0.22 -0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.93 2cpm h MET 52 Cb 0.44 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 31.97 2cpm h MET 52 CO -0.52 0.18 0.54 0.93 1.06 0.00 0.00 176.91 179.10 2cpm h GLU 53 N 0.28 0.89 0.01 1.72 5.08 -0.43 0.24 114.58 122.36 2cpm h GLU 53 Ca 0.33 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2cpm h GLU 53 Cb 0.48 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2cpm h GLU 53 CO -0.40 0.59 -0.00 -0.22 -1.00 0.00 0.00 179.01 177.97 2cpm h LYS 54 N 0.92 -0.01 0.22 2.33 1.63 -0.42 -2.18 116.57 119.05 2cpm h LYS 54 Ca 0.42 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 60.23 2cpm h LYS 54 Cb 0.32 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.93 2cpm h LYS 54 CO -0.23 0.56 -0.26 0.93 -3.45 0.00 0.00 179.45 177.00 2cpm h GLU 55 N -0.59 -0.51 0.45 1.90 4.39 -0.30 -1.19 114.58 118.73 2cpm h GLU 55 Ca -0.00 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2cpm h GLU 55 Cb 0.58 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.32 2cpm h GLU 55 CO 0.00 -0.34 -0.46 0.28 -1.16 0.00 0.00 179.01 177.34 2cpm h VAL 56 N -0.53 0.00 -0.61 3.13 2.07 -0.64 -2.16 116.25 117.51 2cpm h VAL 56 Ca 0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 2cpm h VAL 56 Cb 0.51 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.18 2cpm h VAL 56 CO -0.09 0.00 -0.50 -1.28 0.02 0.00 0.00 177.57 175.72 2cpm h SER 57 N -0.91 -1.72 -0.87 0.57 0.87 -1.34 0.22 113.55 110.37 2cpm h SER 57 Ca -0.06 0.26 0.22 0.00 -1.23 0.00 0.00 61.79 60.99 2cpm h SER 57 Cb 0.79 0.75 -0.14 0.00 -0.44 0.00 0.00 62.40 63.37 2cpm h SER 57 CO -0.06 -0.34 0.25 -0.78 -0.53 0.00 0.00 176.83 175.38 2cpm h ASP 58 N -0.24 0.05 -0.56 6.23 3.58 -1.08 0.23 116.42 124.63 2cpm h ASP 58 Ca 0.15 0.19 -0.03 0.00 0.42 0.00 0.00 57.03 57.76 2cpm h ASP 58 Cb 0.55 0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.82 2cpm h ASP 58 CO -0.71 -0.12 0.24 0.15 -2.88 0.00 0.00 179.24 175.92 2cpm h PHE 59 N 0.24 0.84 0.32 0.28 3.04 0.04 -2.28 116.94 119.43 2cpm h PHE 59 Ca 0.54 -0.06 -0.00 0.00 3.98 0.00 0.00 57.97 62.43 2cpm h PHE 59 Cb 1.06 -0.25 -0.03 0.00 2.56 0.00 0.00 35.95 39.28 2cpm h PHE 59 CO -0.25 0.67 -0.50 0.82 -2.02 0.00 0.00 178.31 177.04 2cpm h ILE 60 N 0.77 0.03 -0.84 1.41 2.04 0.96 -2.31 117.51 119.56 2cpm h ILE 60 Ca 0.19 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.17 2cpm h ILE 60 Cb 0.18 0.03 -0.08 0.00 -0.74 0.00 0.00 36.82 36.21 2cpm h ILE 60 CO -0.02 0.00 0.46 1.56 0.00 0.00 0.00 178.15 180.15 2cpm h GLN 61 N -0.88 0.70 -6.35 2.37 4.20 -1.38 -3.41 115.11 110.36 2cpm h GLN 61 Ca -0.03 -0.04 -0.58 0.00 0.06 0.00 0.00 58.65 58.06 2cpm h GLN 61 Cb 0.81 -0.16 0.03 0.00 0.30 0.00 0.00 27.48 28.46 2cpm h GLN 61 CO -0.16 0.46 1.10 -3.47 -0.67 0.00 0.00 178.83 176.09 2cpm n ASP 62 N -4.80 3.67 -0.05 1.46 -0.08 -0.86 -4.91 116.55 110.98 2cpm n ASP 62 Ca 0.15 0.97 -0.01 0.00 -1.51 0.00 0.00 54.79 54.39 2cpm n ASP 62 Cb 0.36 -1.44 -0.00 0.00 2.34 0.00 0.00 41.12 42.37 2cpm n ASP 62 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 2cpm h SER 63 N 9.07 0.00 -0.99 1.67 0.87 -1.82 -3.36 113.55 118.98 2cpm h SER 63 Ca -0.48 0.00 0.41 0.00 -1.23 0.00 0.00 61.79 60.49 2cpm h SER 63 Cb 1.26 0.00 -0.17 0.00 -0.44 0.00 0.00 62.40 63.05 2cpm h SER 63 CO 0.94 0.48 0.55 0.61 -0.53 0.00 0.00 176.83 178.88 2cpm n GLY 64 N 1.76 -0.73 3.64 5.77 0.00 -1.26 -4.03 105.19 110.34 2cpm n GLY 64 Ca -0.02 0.77 -0.42 0.00 0.00 0.00 0.00 46.02 46.35 2cpm n GLY 64 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2cpm s GLN 65 N -5.44 4.14 -0.19 1.61 -0.21 -1.26 -4.90 119.66 113.42 2cpm s GLN 65 Ca -0.09 1.05 0.18 0.00 0.02 0.00 0.00 55.36 56.52 2cpm s GLN 65 Cb 0.32 -3.68 -0.25 0.00 1.00 0.00 0.00 33.01 30.41 2cpm s GLN 65 CO 0.75 -0.67 0.08 0.44 -2.12 0.00 0.00 175.29 173.77 2cpm n ILE 66 N 5.47 1.34 -3.94 1.08 -5.35 -1.26 -4.88 119.36 111.82 2cpm n ILE 66 Ca 0.09 -0.84 -0.09 0.00 -0.27 0.00 0.00 62.75 61.63 2cpm n ILE 66 Cb 0.47 -0.45 -0.10 0.00 -1.74 0.00 0.00 39.64 37.82 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 -2.51 0.53 -0.01 6.28 -2.85 -1.26 -2.49 119.74 117.43 2cpm s LYS 67 Ca -0.10 -0.72 0.02 0.00 -1.00 0.00 0.00 55.97 54.18 2cpm s LYS 67 Cb 0.06 0.21 -0.00 0.00 -2.06 0.00 0.00 37.83 36.03 2cpm s LYS 67 CO 0.83 -0.13 -0.07 0.21 0.10 0.00 0.00 175.35 176.29 2cpm s LYS 68 N -2.36 0.59 -0.19 1.78 2.20 -0.86 -5.03 119.74 115.86 2cpm s LYS 68 Ca -0.07 -0.25 -0.05 0.00 -0.36 0.00 0.00 55.97 55.24 2cpm s LYS 68 Cb -0.03 -0.57 -0.03 0.00 -1.51 0.00 0.00 37.83 35.70 2cpm s LYS 68 CO -0.04 0.14 0.00 0.21 -0.36 0.00 0.00 175.35 175.31 2cpm s LYS 69 N -0.12 3.66 0.34 4.03 2.20 -1.26 -1.62 119.74 126.97 2cpm s LYS 69 Ca 0.02 -0.50 0.02 0.00 -0.36 0.00 0.00 55.97 55.15 2cpm s LYS 69 Cb -0.03 -3.08 -0.02 0.00 -1.51 0.00 0.00 37.83 33.19 2cpm s LYS 69 CO -0.00 0.06 0.52 -0.06 -0.36 0.00 0.00 175.35 175.51 2cpm s PHE 70 N 0.87 3.37 -0.11 4.03 0.08 0.31 -5.02 117.98 121.50 2cpm s PHE 70 Ca 0.01 0.15 -0.03 0.00 0.12 0.00 0.00 56.93 57.18 2cpm s PHE 70 Cb -0.14 -1.92 -0.03 0.00 -0.57 0.00 0.00 43.02 40.36 2cpm s PHE 70 CO 0.02 0.08 -0.01 -1.14 -0.10 0.00 0.00 175.22 174.06 2cpm s GLN 71 N -4.26 3.24 -1.10 0.44 -0.44 -1.26 -3.87 119.66 112.41 2cpm s GLN 71 Ca 0.41 -0.45 -0.23 0.00 -2.50 0.00 0.00 55.36 52.59 2cpm s GLN 71 Cb -0.10 -2.84 -0.07 0.00 -1.64 0.00 0.00 33.01 28.36 2cpm s GLN 71 CO 0.34 0.53 1.94 -1.25 0.50 0.00 0.00 175.29 177.35 2cpm s PRO 72 N -0.41 2.52 -0.05 1.67 0.04 -1.26 -4.70 135.00 132.81 2cpm s PRO 72 Ca 0.07 -0.90 -0.17 0.00 0.04 0.00 0.00 61.00 60.05 2cpm s PRO 72 Cb -0.12 -5.19 -0.31 0.00 0.04 0.00 0.00 34.50 28.92 2cpm s PRO 72 CO 0.02 -3.79 0.78 0.52 0.04 0.00 0.00 177.00 174.57 2cpm h MET 73 N 10.20 0.36 -5.08 4.56 2.86 -1.96 -3.48 114.93 122.40 2cpm h MET 73 Ca 0.18 -0.62 -0.58 0.00 -2.06 0.00 0.00 59.70 56.63 2cpm h MET 73 Cb 0.96 0.23 -0.13 0.00 0.06 0.00 0.00 31.60 32.72 2cpm h MET 73 CO 1.22 1.29 -0.52 1.21 1.06 0.00 0.00 176.91 181.18 2cpm s ASN 74 N -7.20 3.01 -0.08 1.22 2.47 -1.26 -5.07 114.94 108.04 2cpm s ASN 74 Ca -0.15 -1.66 0.09 0.00 0.42 0.00 0.00 52.86 51.56 2cpm s ASN 74 Cb 0.03 0.49 -0.24 0.00 -1.45 0.00 0.00 41.25 40.08 2cpm s ASN 74 CO 0.84 -0.91 0.53 0.29 -3.72 0.00 0.00 177.10 174.14 2cpm n LYS 75 N -0.96 0.66 -0.03 0.43 5.02 -1.26 -4.29 118.16 117.73 2cpm n LYS 75 Ca -0.08 0.26 -0.09 0.00 -2.02 0.00 0.00 58.31 56.38 2cpm n LYS 75 Cb 0.65 -1.75 -0.14 0.00 -0.02 0.00 0.00 35.03 33.77 2cpm n LYS 75 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2cpm n ILE 76 N -3.11 1.58 -0.70 -0.18 2.08 -1.26 -4.15 119.36 113.62 2cpm n ILE 76 Ca -0.22 -0.80 0.53 0.00 0.56 0.00 0.00 62.75 62.82 2cpm n ILE 76 Cb 1.06 -0.97 0.81 0.00 -0.75 0.00 0.00 39.64 39.79 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 -3.01 -0.00 0.30 0.38 0.28 -1.26 0.27 120.64 117.60 2cpm n GLU 77 Ca -0.20 1.08 -0.15 0.00 -0.16 0.00 0.00 57.16 57.73 2cpm n GLU 77 Cb 1.07 -2.47 -0.08 0.00 1.43 0.00 0.00 31.44 31.38 2cpm n GLU 77 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 2cpm h ARG 78 N 0.00 -0.75 -0.42 3.44 2.43 -1.81 0.31 114.38 117.58 2cpm h ARG 78 Ca 0.93 0.05 0.07 0.00 -0.81 0.00 0.00 59.98 60.22 2cpm h ARG 78 Cb 3.72 0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 33.39 2cpm h ARG 78 CO -0.02 -0.44 0.08 0.77 -1.51 0.00 0.00 179.97 178.85 2cpm h SER 79 N -0.99 0.00 0.80 -3.80 0.02 -0.44 0.90 113.55 110.04 2cpm h SER 79 Ca -0.08 0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 2cpm h SER 79 Cb 0.65 0.10 0.01 0.00 0.14 0.00 0.00 62.40 63.30 2cpm h SER 79 CO 0.13 0.04 -0.40 0.40 -1.14 0.00 0.00 176.83 175.86 2cpm h ILE 80 N 0.21 0.19 -0.79 3.27 2.04 -1.44 -2.20 117.51 118.78 2cpm h ILE 80 Ca 0.20 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.21 2cpm h ILE 80 Cb 0.25 0.19 -0.09 0.00 -0.74 0.00 0.00 36.82 36.43 2cpm h ILE 80 CO -0.27 0.00 0.36 0.25 0.00 0.00 0.00 178.15 178.49 2cpm h LEU 81 N -1.09 0.38 -0.47 1.44 5.85 -0.71 -0.92 115.31 119.79 2cpm h LEU 81 Ca -0.11 0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.78 2cpm h LEU 81 Cb 0.84 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.87 2cpm h LEU 81 CO 0.17 0.16 0.14 0.45 -0.34 0.00 0.00 178.44 179.02 2cpm h HIS 82 N 0.52 0.25 -0.38 1.25 3.86 -0.63 -0.77 115.15 119.25 2cpm h HIS 82 Ca 0.43 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.70 2cpm h HIS 82 Cb 0.63 -0.04 -0.04 0.00 1.06 0.00 0.00 27.41 29.02 2cpm h HIS 82 CO -0.13 0.06 0.16 0.22 0.86 0.00 0.00 177.93 179.10 2cpm h ASP 83 N 0.30 0.21 -0.61 2.45 3.58 -0.55 0.27 116.42 122.08 2cpm h ASP 83 Ca 0.23 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.70 2cpm h ASP 83 Cb 0.26 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.27 2cpm h ASP 83 CO -0.26 0.16 0.37 0.58 -2.88 0.00 0.00 179.24 177.22 2cpm h VAL 84 N 0.34 1.18 0.42 2.25 2.07 -0.86 -2.03 116.25 119.61 2cpm h VAL 84 Ca 0.17 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 2cpm h VAL 84 Cb 0.11 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 2cpm h VAL 84 CO -0.14 0.19 -0.20 0.58 0.02 0.00 0.00 177.57 178.01 2cpm h VAL 85 N 0.86 0.29 -1.03 2.57 2.07 -0.37 -1.45 116.25 119.19 2cpm h VAL 85 Ca 0.23 -0.61 0.27 0.00 0.82 0.00 0.00 66.70 67.40 2cpm h VAL 85 Cb -0.03 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 30.12 2cpm h VAL 85 CO -0.04 0.06 0.69 1.05 0.02 0.00 0.00 177.57 179.35 2cpm h GLU 86 N -1.04 0.26 -0.05 1.57 4.11 -0.90 0.15 114.58 118.69 2cpm h GLU 86 Ca -0.06 -0.02 -0.21 0.00 0.07 0.00 0.00 59.36 59.15 2cpm h GLU 86 Cb 0.53 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.74 2cpm h GLU 86 CO 0.09 0.17 -0.78 0.28 0.07 0.00 0.00 179.01 178.85 2cpm h VAL 87 N 0.27 1.33 -0.29 -1.06 2.07 -1.34 -3.23 116.25 114.00 2cpm h VAL 87 Ca 0.55 -2.08 -0.04 0.00 0.82 0.00 0.00 66.70 65.95 2cpm h VAL 87 Cb 1.62 2.33 -0.02 0.00 -1.52 0.00 0.00 31.29 33.71 2cpm h VAL 87 CO -0.18 0.63 0.01 0.00 0.02 0.00 0.00 177.57 178.05 2cpm h ALA 88 N 0.42 1.49 0.00 1.67 0.00 0.35 -3.47 119.26 119.71 2cpm h ALA 88 Ca -0.08 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2cpm h ALA 88 Cb 1.45 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2cpm h ALA 88 CO 0.16 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.19 2cpm n GLY 89 N -1.01 0.99 3.47 0.00 0.00 -0.17 -5.10 105.19 103.37 2cpm n GLY 89 Ca 0.01 0.00 -0.22 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 2.30 -0.07 0.99 1.43 -1.13 -4.74 118.68 117.46 2cpm s LEU 90 Ca 0.00 -1.37 -0.16 0.00 -1.03 0.00 0.00 54.13 51.57 2cpm s LEU 90 Cb 0.00 -0.47 -0.05 0.00 0.03 0.00 0.00 46.19 45.70 2cpm s LEU 90 CO 0.00 -0.57 0.43 -0.89 0.23 0.00 0.00 176.35 175.55 2cpm s THR 91 N -3.20 5.13 -0.10 5.49 2.01 0.22 -4.36 115.64 120.82 2cpm s THR 91 Ca 0.36 0.86 0.03 0.00 0.31 0.00 0.00 61.69 63.24 2cpm s THR 91 Cb 0.09 -3.75 0.01 0.00 0.01 0.00 0.00 72.50 68.85 2cpm s THR 91 CO 0.16 0.44 -0.19 -0.94 -0.69 0.00 0.00 174.62 173.40 2cpm s SER 92 N -0.12 2.66 -0.07 3.53 1.04 -1.26 -0.28 113.70 119.19 2cpm s SER 92 Ca 0.24 -0.48 -0.03 0.00 0.48 0.00 0.00 55.95 56.16 2cpm s SER 92 Cb -0.16 -1.21 0.04 0.00 0.10 0.00 0.00 66.02 64.79 2cpm s SER 92 CO 0.11 0.08 0.13 -0.36 0.98 0.00 0.00 173.24 174.18 2cpm s PHE 93 N 0.67 -0.13 -0.41 5.02 0.08 -0.40 -5.01 117.98 117.80 2cpm s PHE 93 Ca -0.12 0.48 -0.24 0.00 0.12 0.00 0.00 56.93 57.16 2cpm s PHE 93 Cb -0.16 -0.20 0.02 0.00 -0.57 0.00 0.00 43.02 42.11 2cpm s PHE 93 CO 0.03 -0.20 0.85 -1.12 -0.10 0.00 0.00 175.22 174.68 2cpm s SER 94 N 1.66 6.53 -0.15 1.36 0.01 -1.26 -1.07 113.70 120.78 2cpm s SER 94 Ca -0.04 0.24 0.02 0.00 1.31 0.00 0.00 55.95 57.49 2cpm s SER 94 Cb -0.12 -2.42 0.01 0.00 0.21 0.00 0.00 66.02 63.70 2cpm s SER 94 CO -0.05 -0.87 -0.20 -0.36 0.41 0.00 0.00 173.24 172.17 2cpm s PHE 95 N 3.37 2.71 0.00 2.43 0.08 -0.79 -4.96 117.98 120.83 2cpm s PHE 95 Ca 0.34 -1.31 0.01 0.00 0.12 0.00 0.00 56.93 56.09 2cpm s PHE 95 Cb -0.12 -1.85 -0.00 0.00 -0.57 0.00 0.00 43.02 40.48 2cpm s PHE 95 CO 0.21 -0.60 -0.02 0.20 -0.10 0.00 0.00 175.22 174.90 2cpm s GLY 96 N 0.88 0.14 0.11 4.36 0.00 -1.26 -3.27 107.32 108.28 2cpm s GLY 96 Ca -0.05 -0.18 -0.06 0.00 0.00 0.00 0.00 44.72 44.43 2cpm s GLY 96 CO -0.03 -0.18 1.25 1.05 0.00 0.00 0.00 173.10 175.20 2cpm h GLU 97 N 5.85 0.43 -5.22 2.90 9.09 -1.96 -3.46 114.58 122.21 2cpm h GLU 97 Ca -0.27 -0.50 -0.37 0.00 0.05 0.00 0.00 59.36 58.27 2cpm h GLU 97 Cb 1.20 0.15 -0.18 0.00 -1.65 0.00 0.00 28.75 28.28 2cpm h GLU 97 CO 0.49 1.16 -0.75 0.16 0.05 0.00 0.00 179.01 180.13 2cpm s ASP 98 N -7.14 1.76 0.23 3.06 -4.77 -1.23 -5.05 116.67 103.53 2cpm s ASP 98 Ca -0.06 -0.81 -0.08 0.00 -3.30 0.00 0.00 52.55 48.29 2cpm s ASP 98 Cb 0.08 -0.04 0.20 0.00 -1.09 0.00 0.00 42.92 42.08 2cpm s ASP 98 CO 0.88 -0.20 1.89 -2.24 0.70 0.00 0.00 175.17 176.20 2cpm h ASP 99 N 3.53 1.02 -0.75 2.11 3.04 -2.04 -2.50 116.42 120.83 2cpm h ASP 99 Ca -0.39 -0.04 0.01 0.00 -3.24 0.00 0.00 57.03 53.37 2cpm h ASP 99 Cb 1.19 -0.25 -0.04 0.00 -1.04 0.00 0.00 39.33 39.19 2cpm h ASP 99 CO 0.52 0.76 0.49 -0.78 -2.04 0.00 0.00 179.24 178.19 2cpm h ASP 100 N 1.18 0.85 -3.61 4.15 1.82 -2.00 -3.38 116.42 115.43 2cpm h ASP 100 Ca 0.31 -0.02 -0.68 0.00 -0.39 0.00 0.00 57.03 56.25 2cpm h ASP 100 Cb -0.10 -0.21 -0.28 0.00 0.68 0.00 0.00 39.33 39.42 2cpm h ASP 100 CO -0.06 0.62 -0.65 0.00 -1.61 0.00 0.00 179.24 177.53 2cpm s ARG 102 N 1.43 1.13 0.36 0.00 6.06 -1.26 -3.52 118.95 123.16 2cpm s ARG 102 Ca 0.01 -1.09 0.00 0.00 -2.50 0.00 0.00 55.73 52.16 2cpm s ARG 102 Cb -0.18 -2.40 -0.03 0.00 0.06 0.00 0.00 34.95 32.40 2cpm s ARG 102 CO 0.01 -0.80 0.57 1.52 -2.50 0.00 0.00 175.30 174.09 2cpm s TYR 103 N 1.46 3.48 -0.03 5.12 -0.85 -1.20 -4.59 117.35 120.74 2cpm s TYR 103 Ca 0.03 0.36 0.02 0.00 -0.52 0.00 0.00 57.07 56.97 2cpm s TYR 103 Cb -0.18 -1.95 -0.03 0.00 0.38 0.00 0.00 41.96 40.18 2cpm s TYR 103 CO -0.14 0.07 -0.07 0.54 -1.52 0.00 0.00 175.55 174.43 2cpm s VAL 104 N -2.36 3.68 0.25 -3.49 0.11 -1.25 -1.88 120.40 115.47 2cpm s VAL 104 Ca 0.41 -0.61 0.06 0.00 -2.93 0.00 0.00 61.98 58.91 2cpm s VAL 104 Cb -0.10 -2.55 -0.05 0.00 -1.53 0.00 0.00 36.38 32.15 2cpm s VAL 104 CO 0.37 0.50 -0.06 -0.04 -3.33 0.00 0.00 175.10 172.54 2cpm s MET 105 N -1.09 1.46 -0.02 1.54 -1.94 -0.23 -0.53 119.30 118.49 2cpm s MET 105 Ca 0.15 -1.72 -0.03 0.00 -1.71 0.00 0.00 55.69 52.38 2cpm s MET 105 Cb -0.11 -1.03 0.00 0.00 2.01 0.00 0.00 34.83 35.70 2cpm s MET 105 CO 0.04 0.04 0.06 0.96 -0.01 0.00 0.00 175.02 176.11 2cpm s ILE 106 N -3.09 0.02 0.17 2.53 -4.36 -0.64 -1.28 121.20 114.55 2cpm s ILE 106 Ca 0.28 -0.19 0.07 0.00 -0.26 0.00 0.00 60.65 60.55 2cpm s ILE 106 Cb 0.03 -0.16 -0.04 0.00 1.25 0.00 0.00 42.46 43.54 2cpm s ILE 106 CO 0.10 -0.11 -0.15 -0.36 0.24 0.00 0.00 174.94 174.66 2cpm s PHE 107 N -0.31 1.64 0.91 1.37 0.40 0.61 -2.03 117.98 120.58 2cpm s PHE 107 Ca -0.04 -0.55 -0.14 0.00 -0.60 0.00 0.00 56.93 55.60 2cpm s PHE 107 Cb -0.02 -0.80 0.15 0.00 0.51 0.00 0.00 43.02 42.86 2cpm s PHE 107 CO 0.00 0.29 1.24 0.15 0.70 0.00 0.00 175.22 177.60 2cpm s LYS 108 N -3.21 1.09 -0.01 0.44 1.02 -1.04 -0.61 119.74 117.43 2cpm s LYS 108 Ca 0.17 -0.14 -0.23 0.00 0.02 0.00 0.00 55.97 55.79 2cpm s LYS 108 Cb -0.03 -1.87 -0.14 0.00 -0.52 0.00 0.00 37.83 35.27 2cpm s LYS 108 CO 0.05 -2.15 1.00 -0.22 -0.92 0.00 0.00 175.35 173.11 2cpm h LYS 109 N -1.46 -0.66 -0.28 1.68 1.63 -1.91 0.12 116.57 115.69 2cpm h LYS 109 Ca -0.46 0.04 -0.14 0.00 -0.85 0.00 0.00 60.65 59.25 2cpm h LYS 109 Cb 1.28 0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 33.05 2cpm h LYS 109 CO 0.50 -0.37 -0.38 1.49 -3.45 0.00 0.00 179.45 177.24 2cpm h GLU 110 N -1.09 0.65 -0.69 1.90 4.57 -1.98 -2.71 114.58 115.23 2cpm h GLU 110 Ca -0.07 -0.33 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 2cpm h GLU 110 Cb 0.59 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 2cpm h GLU 110 CO 0.11 0.93 0.00 1.19 -1.18 0.00 0.00 179.01 180.06 2cpm n PHE 111 N -4.04 1.08 -2.25 0.92 3.72 -1.24 -4.94 117.46 110.70 2cpm n PHE 111 Ca -0.02 -0.39 -0.38 0.00 -0.05 0.00 0.00 57.45 56.61 2cpm n PHE 111 Cb 0.51 -0.27 -0.01 0.00 -0.94 0.00 0.00 39.48 38.77 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 -1.90 3.09 0.68 4.37 0.00 0.42 -4.32 121.76 124.10 2cpm s ALA 112 Ca 0.31 0.99 -0.14 0.00 0.00 0.00 0.00 51.96 53.11 2cpm s ALA 112 Cb 0.22 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.96 2cpm s ALA 112 CO 0.11 -0.62 1.11 -1.25 0.00 0.00 0.00 175.76 175.11 2cpm s PRO 113 N -2.45 2.70 0.54 0.00 0.04 -1.26 -5.03 135.00 129.55 2cpm s PRO 113 Ca 0.60 1.35 -0.03 0.00 0.04 0.00 0.00 61.00 62.96 2cpm s PRO 113 Cb -0.31 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.30 2cpm s PRO 113 CO 0.38 -1.32 0.80 -1.12 0.04 0.00 0.00 177.00 175.79 2cpm s SER 114 N -2.73 5.61 0.02 6.66 0.01 -1.26 -4.89 113.70 117.12 2cpm s SER 114 Ca 0.66 0.46 -0.09 0.00 1.31 0.00 0.00 55.95 58.28 2cpm s SER 114 Cb -0.20 -1.52 -0.05 0.00 0.21 0.00 0.00 66.02 64.46 2cpm s SER 114 CO 0.44 -0.96 1.14 0.44 0.41 0.00 0.00 173.24 174.72 2cpm h ASP 115 N 0.05 -0.32 -0.63 2.44 5.19 -1.99 0.38 116.42 121.55 2cpm h ASP 115 Ca -0.45 0.02 0.13 0.00 -0.62 0.00 0.00 57.03 56.10 2cpm h ASP 115 Cb 1.26 0.10 -0.09 0.00 0.18 0.00 0.00 39.33 40.77 2cpm h ASP 115 CO 0.58 -0.19 0.10 -0.33 -3.12 0.00 0.00 179.24 176.29 2cpm h GLU 116 N -0.30 0.21 -0.54 3.56 5.08 -2.01 -0.77 114.58 119.82 2cpm h GLU 116 Ca -0.03 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2cpm h GLU 116 Cb 0.24 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 2cpm h GLU 116 CO 0.02 0.14 0.32 0.93 -1.00 0.00 0.00 179.01 179.42 2cpm h GLU 117 N 0.22 0.61 -0.36 2.33 5.08 -1.94 -2.49 114.58 118.04 2cpm h GLU 117 Ca 0.33 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.73 2cpm h GLU 117 Cb 0.53 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.56 2cpm h GLU 117 CO -0.46 0.40 -0.14 -0.07 -1.00 0.00 0.00 179.01 177.75 2cpm h LEU 118 N 0.63 -0.47 0.36 1.33 3.38 0.13 0.50 115.31 121.16 2cpm h LEU 118 Ca 0.22 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 2cpm h LEU 118 Cb 0.03 0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2cpm h LEU 118 CO -0.10 -0.17 -0.39 -0.78 0.09 0.00 0.00 178.44 177.09 2cpm h ASP 119 N -0.07 -1.07 -0.50 -0.43 1.82 -1.11 -2.02 116.42 113.05 2cpm h ASP 119 Ca 0.18 0.09 0.04 0.00 -0.39 0.00 0.00 57.03 56.95 2cpm h ASP 119 Cb 0.33 0.36 -0.03 0.00 0.68 0.00 0.00 39.33 40.68 2cpm h ASP 119 CO -0.40 -0.53 0.33 0.77 -1.61 0.00 0.00 179.24 177.79 2cpm h SER 120 N -0.79 0.45 -0.33 2.28 4.64 -1.05 -2.21 113.55 116.55 2cpm h SER 120 Ca -0.03 -0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.33 2cpm h SER 120 Cb 0.71 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.66 2cpm h SER 120 CO -0.08 0.31 0.09 1.88 -0.87 0.00 0.00 176.83 178.16 2cpm h TYR 121 N 0.52 0.16 0.52 4.77 0.05 0.69 0.83 116.97 124.51 2cpm h TYR 121 Ca 0.20 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.98 2cpm h TYR 121 Cb 0.16 -0.02 0.01 0.00 1.01 0.00 0.00 36.73 37.88 2cpm h TYR 121 CO -0.00 0.06 -0.25 0.00 -1.05 0.00 0.00 178.16 176.92 2cpm h ARG 122 N 0.22 -0.67 0.00 4.88 3.08 -0.85 -2.90 114.38 118.14 2cpm h ARG 122 Ca 0.15 0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 2cpm h ARG 122 Cb 0.14 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 2cpm h ARG 122 CO -0.17 -0.37 -0.03 0.07 -1.07 0.00 0.00 179.97 178.39 2cpm h ARG 123 N -0.92 0.00 0.00 0.04 0.11 -1.35 -3.48 114.38 108.78 2cpm h ARG 123 Ca -0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.01 2cpm h ARG 123 Cb 0.61 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.69 2cpm h ARG 123 CO 0.12 0.03 0.00 0.41 0.10 0.00 0.00 179.97 180.63 2cpm n GLY 124 N -1.24 0.48 3.65 0.08 0.00 0.29 -4.94 105.19 103.51 2cpm n GLY 124 Ca -0.03 -1.50 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.78 6.96 -0.29 1.61 1.04 -1.25 -4.85 113.70 116.14 2cpm s SER 125 Ca 0.00 1.32 -0.22 0.00 0.48 0.00 0.00 55.95 57.54 2cpm s SER 125 Cb 0.00 -2.54 0.14 0.00 0.10 0.00 0.00 66.02 63.72 2cpm s SER 125 CO 0.00 -0.81 1.06 -0.83 0.98 0.00 0.00 173.24 173.64 2cpm s GLY 126 N 1.72 -0.03 -0.29 7.32 0.00 -1.26 -5.13 107.32 109.66 2cpm s GLY 126 Ca 0.48 2.95 -0.29 0.00 0.00 0.00 0.00 44.72 47.87 2cpm s GLY 126 CO 0.13 2.13 1.66 2.56 0.00 0.00 0.00 173.10 179.58 2cpm s PRO 127 N 0.61 3.58 -0.30 2.90 0.04 -1.26 -4.96 135.00 135.61 2cpm s PRO 127 Ca -0.01 1.47 -0.29 0.00 0.04 0.00 0.00 61.00 62.21 2cpm s PRO 127 Cb -0.04 -4.10 -0.00 0.00 0.04 0.00 0.00 34.50 30.40 2cpm s PRO 127 CO -0.10 -1.56 1.33 -1.54 0.04 0.00 0.00 177.00 175.17 2cpm s SER 128 N 4.94 6.63 0.04 6.66 1.04 -1.26 -4.91 113.70 126.84 2cpm s SER 128 Ca 0.73 1.22 -0.23 0.00 0.48 0.00 0.00 55.95 58.16 2cpm s SER 128 Cb -0.22 -2.54 -0.15 0.00 0.10 0.00 0.00 66.02 63.20 2cpm s SER 128 CO 0.32 -1.11 1.46 0.77 0.98 0.00 0.00 173.24 175.66 2cpm h SER 129 N 9.48 0.13 -0.02 7.02 4.64 -2.08 -3.58 113.55 129.14 2cpm h SER 129 Ca -0.27 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 60.74 2cpm h SER 129 Cb 1.10 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2cpm h SER 129 CO 1.03 0.40 0.00 0.61 -0.87 0.00 0.00 176.83 178.01