#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cpm n SER 38 N 0.00 -4.56 -3.66 1.61 3.41 -1.26 -4.95 113.62 104.21 2cpm n SER 38 Ca 0.00 -0.71 -0.11 0.00 -0.26 0.00 0.00 58.87 57.80 2cpm n SER 38 Cb 0.00 -3.67 -0.11 0.00 -0.26 0.00 0.00 64.21 60.17 2cpm n SER 38 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cpm s SER 39 N -3.15 0.02 0.00 4.04 0.01 -1.26 -5.03 113.70 108.32 2cpm s SER 39 Ca 0.61 0.81 0.00 0.00 1.31 0.00 0.00 55.95 58.68 2cpm s SER 39 Cb -0.31 1.07 0.00 0.00 0.21 0.00 0.00 66.02 66.99 2cpm s SER 39 CO 0.75 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.78 2cpm n GLY 40 N 5.37 0.00 3.59 3.44 0.00 -1.26 -5.17 105.19 111.17 2cpm n GLY 40 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 2cpm n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cpm s SER 41 N 0.00 1.81 0.44 1.61 0.01 -1.26 -5.06 113.70 111.25 2cpm s SER 41 Ca 0.00 1.27 0.07 0.00 1.31 0.00 0.00 55.95 58.61 2cpm s SER 41 Cb 0.00 -1.99 -0.01 0.00 0.21 0.00 0.00 66.02 64.23 2cpm s SER 41 CO 0.00 -3.65 0.37 -0.94 0.41 0.00 0.00 173.24 169.43 2cpm s SER 42 N -3.09 4.91 0.00 2.44 1.04 -1.26 -4.99 113.70 112.75 2cpm s SER 42 Ca 0.67 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 56.23 2cpm s SER 42 Cb -0.21 -0.38 0.00 0.00 0.10 0.00 0.00 66.02 65.53 2cpm s SER 42 CO 0.61 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.70 2cpm n GLY 43 N -1.57 -0.38 0.44 7.32 0.00 -1.26 -4.96 105.19 104.78 2cpm n GLY 43 Ca 0.03 0.16 -0.18 0.00 0.00 0.00 0.00 46.02 46.03 2cpm n GLY 43 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2cpm h GLN 44 N 0.00 -0.91 -0.97 1.61 4.20 -2.04 -2.55 115.11 114.45 2cpm h GLN 44 Ca 0.00 0.06 0.33 0.00 0.06 0.00 0.00 58.65 59.10 2cpm h GLN 44 Cb 0.00 0.21 -0.18 0.00 0.30 0.00 0.00 27.48 27.81 2cpm h GLN 44 CO 0.00 -0.61 0.24 1.63 -0.67 0.00 0.00 178.83 179.42 2cpm n LYS 45 N -5.53 -0.07 -0.10 1.46 4.76 -1.26 -1.43 118.16 115.98 2cpm n LYS 45 Ca -0.12 1.41 -0.03 0.00 -2.87 0.00 0.00 58.31 56.70 2cpm n LYS 45 Cb 0.42 -2.36 -0.02 0.00 -1.84 0.00 0.00 35.03 31.23 2cpm n LYS 45 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2cpm n VAL 46 N -5.34 -0.17 -0.33 -0.18 0.31 -0.96 -0.35 118.33 111.32 2cpm n VAL 46 Ca 0.29 1.36 -0.06 0.00 -0.01 0.00 0.00 64.34 65.92 2cpm n VAL 46 Cb 0.97 -1.75 -0.04 0.00 -0.91 0.00 0.00 33.84 32.10 2cpm n VAL 46 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2cpm n GLU 47 N -3.46 -0.30 -0.25 5.55 1.02 -0.52 0.13 120.64 122.81 2cpm n GLU 47 Ca 0.00 1.22 0.02 0.00 -0.02 0.00 0.00 57.16 58.38 2cpm n GLU 47 Cb 0.06 -1.80 0.14 0.00 -0.02 0.00 0.00 31.44 29.82 2cpm n GLU 47 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2cpm h PHE 48 N 0.00 0.68 -0.49 -0.32 3.57 -0.81 -2.10 116.94 117.46 2cpm h PHE 48 Ca 0.18 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.81 2cpm h PHE 48 Cb 0.38 -0.19 -0.10 0.00 2.79 0.00 0.00 35.95 38.83 2cpm h PHE 48 CO -0.79 0.25 -0.20 -0.09 -2.23 0.00 0.00 178.31 175.26 2cpm h ARG 49 N 0.64 -0.08 -0.18 1.11 2.43 0.27 0.16 114.38 118.73 2cpm h ARG 49 Ca 0.36 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 2cpm h ARG 49 Cb 0.36 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 2cpm h ARG 49 CO -0.26 -0.06 0.12 0.87 -1.51 0.00 0.00 179.97 179.13 2cpm h LYS 50 N -0.09 0.23 -0.98 0.20 1.57 -0.74 -1.68 116.57 115.09 2cpm h LYS 50 Ca 0.23 -0.01 0.13 0.00 -1.87 0.00 0.00 60.65 59.13 2cpm h LYS 50 Cb 0.45 -0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.62 2cpm h LYS 50 CO -0.55 0.15 0.60 -0.09 -0.57 0.00 0.00 179.45 179.00 2cpm h ARG 51 N 0.24 0.89 -0.42 3.15 2.43 -0.77 -0.49 114.38 119.41 2cpm h ARG 51 Ca 0.07 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.07 2cpm h ARG 51 Cb -0.02 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 2cpm h ARG 51 CO -0.02 0.59 -0.20 0.52 -1.51 0.00 0.00 179.97 179.35 2cpm h MET 52 N 0.92 0.82 -0.81 0.20 2.86 -0.54 -2.41 114.93 115.98 2cpm h MET 52 Ca 0.50 -0.32 0.02 0.00 -2.06 0.00 0.00 59.70 57.84 2cpm h MET 52 Cb 0.55 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.13 2cpm h MET 52 CO -0.29 0.95 0.53 0.93 1.06 0.00 0.00 176.91 180.09 2cpm h GLU 53 N 0.72 1.01 -0.09 1.72 5.08 -0.18 0.22 114.58 123.07 2cpm h GLU 53 Ca 0.10 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2cpm h GLU 53 Cb 0.72 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 2cpm h GLU 53 CO 0.06 0.67 -0.03 -0.22 -1.00 0.00 0.00 179.01 178.49 2cpm h LYS 54 N 1.05 0.17 0.29 2.33 1.63 -1.28 -1.76 116.57 119.00 2cpm h LYS 54 Ca 0.32 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 60.03 2cpm h LYS 54 Cb -0.04 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 2cpm h LYS 54 CO -0.10 0.50 -0.14 0.93 -3.45 0.00 0.00 179.45 177.20 2cpm h GLU 55 N -0.17 -0.37 0.33 1.90 4.39 -1.17 -2.44 114.58 117.04 2cpm h GLU 55 Ca 0.02 0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 2cpm h GLU 55 Cb 0.44 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 2cpm h GLU 55 CO 0.01 -0.21 -0.40 0.28 -1.16 0.00 0.00 179.01 177.53 2cpm h VAL 56 N -0.44 0.00 -0.87 3.13 2.07 -0.61 -2.26 116.25 117.26 2cpm h VAL 56 Ca -0.04 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.59 2cpm h VAL 56 Cb 0.33 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.97 2cpm h VAL 56 CO 0.06 0.00 -0.47 -1.28 0.02 0.00 0.00 177.57 175.91 2cpm h SER 57 N -0.75 -1.69 -0.75 0.57 0.87 -1.35 0.41 113.55 110.86 2cpm h SER 57 Ca -0.04 0.30 0.17 0.00 -1.23 0.00 0.00 61.79 60.99 2cpm h SER 57 Cb 0.67 0.80 -0.12 0.00 -0.44 0.00 0.00 62.40 63.31 2cpm h SER 57 CO -0.09 -0.28 0.11 -0.78 -0.53 0.00 0.00 176.83 175.25 2cpm h ASP 58 N -0.07 -0.14 -0.18 6.23 3.58 -1.23 0.39 116.42 124.99 2cpm h ASP 58 Ca 0.24 0.17 -0.04 0.00 0.42 0.00 0.00 57.03 57.82 2cpm h ASP 58 Cb 0.53 0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.83 2cpm h ASP 58 CO -0.88 -0.11 0.00 0.15 -2.88 0.00 0.00 179.24 175.51 2cpm h PHE 59 N 0.19 0.45 0.80 0.28 3.04 0.33 -2.36 116.94 119.66 2cpm h PHE 59 Ca 0.42 -0.04 -0.04 0.00 3.98 0.00 0.00 57.97 62.30 2cpm h PHE 59 Cb 0.75 -0.13 0.01 0.00 2.56 0.00 0.00 35.95 39.14 2cpm h PHE 59 CO -0.33 0.45 -0.38 0.82 -2.02 0.00 0.00 178.31 176.85 2cpm h ILE 60 N 0.43 0.20 -0.55 1.41 2.04 0.15 -3.08 117.51 118.11 2cpm h ILE 60 Ca 0.10 -0.03 0.06 0.00 1.00 0.00 0.00 64.86 65.99 2cpm h ILE 60 Cb 0.28 0.21 -0.06 0.00 -0.74 0.00 0.00 36.82 36.52 2cpm h ILE 60 CO 0.01 0.00 0.25 1.56 0.00 0.00 0.00 178.15 179.97 2cpm h GLN 61 N -1.09 0.46 -6.24 2.37 4.20 -1.33 -3.40 115.11 110.08 2cpm h GLN 61 Ca -0.11 -0.03 -0.56 0.00 0.06 0.00 0.00 58.65 58.01 2cpm h GLN 61 Cb 0.83 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.51 2cpm h GLN 61 CO 0.18 0.30 1.30 -0.25 -0.67 0.00 0.00 178.83 179.69 2cpm n ASP 62 N -4.92 3.78 -0.05 1.46 9.92 -0.90 -4.88 116.55 120.97 2cpm n ASP 62 Ca 0.06 0.71 -0.17 0.00 -0.53 0.00 0.00 54.79 54.86 2cpm n ASP 62 Cb 0.19 -1.51 -0.13 0.00 -0.64 0.00 0.00 41.12 39.03 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 11.69 0.10 -1.16 -2.24 0.87 -1.83 -3.34 113.55 117.65 2cpm h SER 63 Ca -0.47 -0.88 0.37 0.00 -1.23 0.00 0.00 61.79 59.59 2cpm h SER 63 Cb 1.25 -0.03 -0.13 0.00 -0.44 0.00 0.00 62.40 63.04 2cpm h SER 63 CO 0.95 1.22 0.72 1.23 -0.53 0.00 0.00 176.83 180.42 2cpm h GLY 64 N -0.81 1.55 -5.06 5.77 0.00 -1.95 -3.37 103.07 99.20 2cpm h GLY 64 Ca -0.12 -0.17 -0.57 0.00 0.00 0.00 0.00 47.33 46.47 2cpm h GLY 64 CO -0.02 -0.40 0.45 1.20 0.00 0.00 0.00 176.54 177.77 2cpm s GLN 65 N -5.44 4.36 -0.10 4.80 -0.21 -1.25 -4.91 119.66 116.90 2cpm s GLN 65 Ca -0.09 1.17 0.11 0.00 0.02 0.00 0.00 55.36 56.57 2cpm s GLN 65 Cb 0.29 -3.55 -0.15 0.00 1.00 0.00 0.00 33.01 30.60 2cpm s GLN 65 CO 0.81 -0.29 0.07 0.44 -2.12 0.00 0.00 175.29 174.20 2cpm n ILE 66 N 4.58 0.69 -3.91 1.08 -5.35 -1.26 -4.95 119.36 110.25 2cpm n ILE 66 Ca 0.06 -0.47 -0.09 0.00 -0.27 0.00 0.00 62.75 61.98 2cpm n ILE 66 Cb 0.49 -0.56 -0.09 0.00 -1.74 0.00 0.00 39.64 37.74 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 -2.37 0.65 0.01 6.28 -2.85 -1.26 -2.75 119.74 117.46 2cpm s LYS 67 Ca -0.06 -0.79 0.01 0.00 -1.00 0.00 0.00 55.97 54.13 2cpm s LYS 67 Cb 0.04 0.26 -0.01 0.00 -2.06 0.00 0.00 37.83 36.06 2cpm s LYS 67 CO 0.49 -0.17 -0.04 0.21 0.10 0.00 0.00 175.35 175.94 2cpm s LYS 68 N -2.88 0.29 -0.34 1.78 2.20 -0.87 -5.01 119.74 114.91 2cpm s LYS 68 Ca -0.03 -0.35 0.01 0.00 -0.36 0.00 0.00 55.97 55.24 2cpm s LYS 68 Cb 0.00 -0.13 0.09 0.00 -1.51 0.00 0.00 37.83 36.28 2cpm s LYS 68 CO -0.06 0.02 0.06 0.21 -0.36 0.00 0.00 175.35 175.23 2cpm s LYS 69 N -0.72 1.89 0.14 4.03 2.36 -1.26 -1.91 119.74 124.27 2cpm s LYS 69 Ca -0.06 -1.69 -0.25 0.00 -2.55 0.00 0.00 55.97 51.42 2cpm s LYS 69 Cb -0.05 -3.27 -0.07 0.00 -1.05 0.00 0.00 37.83 33.39 2cpm s LYS 69 CO -0.00 -0.87 0.77 -0.06 1.55 0.00 0.00 175.35 176.74 2cpm s PHE 70 N 1.05 3.88 0.22 4.03 0.08 -0.34 -5.01 117.98 121.89 2cpm s PHE 70 Ca 0.05 1.60 -0.30 0.00 0.12 0.00 0.00 56.93 58.40 2cpm s PHE 70 Cb -0.20 -2.77 -0.08 0.00 -0.57 0.00 0.00 43.02 39.39 2cpm s PHE 70 CO -0.05 0.47 0.95 -0.65 -0.10 0.00 0.00 175.22 175.84 2cpm s GLN 71 N -0.94 4.82 -1.18 0.44 -0.21 -1.26 -2.92 119.66 118.40 2cpm s GLN 71 Ca 0.36 1.50 -0.23 0.00 0.02 0.00 0.00 55.36 57.01 2cpm s GLN 71 Cb -0.23 -3.30 -0.09 0.00 1.00 0.00 0.00 33.01 30.40 2cpm s GLN 71 CO 0.26 0.44 1.93 -0.35 -2.12 0.00 0.00 175.29 175.45 2cpm n PRO 72 N 1.75 1.61 -0.02 2.91 -0.04 -1.26 -4.71 135.00 135.23 2cpm n PRO 72 Ca -0.01 -2.46 -0.16 0.00 -0.04 0.00 0.00 63.50 60.83 2cpm n PRO 72 Cb 0.47 -3.72 -0.09 0.00 -0.04 0.00 0.00 33.50 30.12 2cpm n PRO 72 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 2cpm h MET 73 N 9.65 0.45 -5.06 0.54 2.86 -1.95 -3.47 114.93 117.95 2cpm h MET 73 Ca 0.22 -0.39 -0.55 0.00 -2.06 0.00 0.00 59.70 56.92 2cpm h MET 73 Cb 0.93 0.09 -0.13 0.00 0.06 0.00 0.00 31.60 32.55 2cpm h MET 73 CO 1.24 1.04 -0.52 1.21 1.06 0.00 0.00 176.91 180.93 2cpm s ASN 74 N -6.63 2.75 -0.16 1.22 3.84 -1.26 -5.08 114.94 109.62 2cpm s ASN 74 Ca -0.13 -1.65 -0.21 0.00 0.21 0.00 0.00 52.86 51.08 2cpm s ASN 74 Cb 0.05 0.45 -0.23 0.00 -0.55 0.00 0.00 41.25 40.97 2cpm s ASN 74 CO 0.81 -0.90 0.44 0.11 -2.79 0.00 0.00 177.10 174.77 2cpm h LYS 75 N 1.82 0.08 0.06 0.43 1.79 -2.00 -3.39 116.57 115.36 2cpm h LYS 75 Ca -0.36 -0.14 -0.24 0.00 -2.18 0.00 0.00 60.65 57.73 2cpm h LYS 75 Cb 1.27 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.97 2cpm h LYS 75 CO 0.58 1.07 -1.08 0.82 -1.08 0.00 0.00 179.45 179.76 2cpm h ILE 76 N -0.76 1.49 -1.81 1.86 2.04 -2.02 -3.28 117.51 115.03 2cpm h ILE 76 Ca -0.27 -2.84 0.54 0.00 1.00 0.00 0.00 64.86 63.29 2cpm h ILE 76 Cb 1.40 2.71 -0.08 0.00 -0.74 0.00 0.00 36.82 40.11 2cpm h ILE 76 CO -0.08 0.83 1.29 -0.62 0.00 0.00 0.00 178.15 179.57 2cpm n GLU 77 N -3.60 -0.01 0.20 2.37 1.02 -1.26 0.64 120.64 120.00 2cpm n GLU 77 Ca -0.06 1.06 -0.14 0.00 -0.02 0.00 0.00 57.16 57.99 2cpm n GLU 77 Cb 0.93 -2.39 -0.08 0.00 -0.02 0.00 0.00 31.44 29.88 2cpm n GLU 77 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 2cpm h ARG 78 N 0.00 -0.49 -0.53 3.49 2.43 -1.77 -1.27 114.38 116.24 2cpm h ARG 78 Ca 0.89 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 60.14 2cpm h ARG 78 Cb 3.49 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 33.11 2cpm h ARG 78 CO -0.08 -0.20 0.28 1.03 -1.51 0.00 0.00 179.97 179.49 2cpm h SER 79 N -0.76 0.41 0.19 -3.80 0.87 -0.02 -1.08 113.55 109.36 2cpm h SER 79 Ca -0.05 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2cpm h SER 79 Cb 0.52 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 2cpm h SER 79 CO 0.09 0.28 -0.18 0.40 -0.53 0.00 0.00 176.83 176.88 2cpm h ILE 80 N 0.54 0.60 -0.74 2.23 2.04 -1.39 -2.28 117.51 118.51 2cpm h ILE 80 Ca 0.23 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.17 2cpm h ILE 80 Cb 0.12 0.60 -0.07 0.00 -0.74 0.00 0.00 36.82 36.73 2cpm h ILE 80 CO -0.15 0.00 0.40 0.25 0.00 0.00 0.00 178.15 178.65 2cpm h LEU 81 N -0.40 0.57 -0.38 1.44 5.85 -0.95 -1.97 115.31 119.46 2cpm h LEU 81 Ca -0.00 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.84 2cpm h LEU 81 Cb 0.37 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 2cpm h LEU 81 CO -0.04 0.34 -0.00 0.45 -0.34 0.00 0.00 178.44 178.84 2cpm h HIS 82 N 0.70 -0.03 -0.47 1.25 3.86 -0.84 0.14 115.15 119.76 2cpm h HIS 82 Ca 0.35 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.61 2cpm h HIS 82 Cb 0.30 0.07 -0.03 0.00 1.06 0.00 0.00 27.41 28.81 2cpm h HIS 82 CO -0.08 -0.08 0.28 0.22 0.86 0.00 0.00 177.93 179.13 2cpm h ASP 83 N 0.10 0.46 -0.48 2.45 1.82 -0.81 0.19 116.42 120.15 2cpm h ASP 83 Ca 0.19 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.79 2cpm h ASP 83 Cb 0.26 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 40.15 2cpm h ASP 83 CO -0.32 0.33 0.16 0.58 -1.61 0.00 0.00 179.24 178.39 2cpm h VAL 84 N 0.57 1.21 0.27 2.25 2.07 -0.72 -1.95 116.25 119.96 2cpm h VAL 84 Ca 0.19 -0.72 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 2cpm h VAL 84 Cb 0.01 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 2cpm h VAL 84 CO -0.08 0.27 -0.13 0.58 0.02 0.00 0.00 177.57 178.23 2cpm h VAL 85 N 0.77 0.48 -0.98 2.57 2.07 -0.14 -1.91 116.25 119.11 2cpm h VAL 85 Ca 0.18 -0.87 0.24 0.00 0.82 0.00 0.00 66.70 67.07 2cpm h VAL 85 Cb 0.23 0.79 -0.08 0.00 -1.52 0.00 0.00 31.29 30.71 2cpm h VAL 85 CO -0.01 0.12 0.65 1.05 0.02 0.00 0.00 177.57 179.40 2cpm h GLU 86 N -0.97 0.35 -0.10 1.57 -0.00 -0.63 0.11 114.58 114.91 2cpm h GLU 86 Ca -0.04 -0.02 -0.24 0.00 -0.00 0.00 0.00 59.36 59.06 2cpm h GLU 86 Cb 0.48 -0.08 0.01 0.00 -0.00 0.00 0.00 28.75 29.16 2cpm h GLU 86 CO 0.06 0.23 -0.87 0.28 -0.00 0.00 0.00 179.01 178.71 2cpm h VAL 87 N 0.36 1.28 -0.10 -1.06 2.07 -1.37 -3.17 116.25 114.24 2cpm h VAL 87 Ca 0.53 -2.07 -0.01 0.00 0.82 0.00 0.00 66.70 65.97 2cpm h VAL 87 Cb 1.41 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 33.30 2cpm h VAL 87 CO -0.21 0.65 0.02 0.00 0.02 0.00 0.00 177.57 178.05 2cpm h ALA 88 N 0.49 1.85 0.00 1.67 0.00 0.03 -3.46 119.26 119.84 2cpm h ALA 88 Ca -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2cpm h ALA 88 Cb 1.51 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2cpm h ALA 88 CO 0.18 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.96 2cpm n GLY 89 N -1.39 1.59 3.47 0.00 0.00 -0.66 -5.10 105.19 103.11 2cpm n GLY 89 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 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 2.29 0.18 0.99 1.43 -1.12 -4.68 118.68 117.77 2cpm s LEU 90 Ca 0.00 -1.36 -0.14 0.00 -1.03 0.00 0.00 54.13 51.60 2cpm s LEU 90 Cb 0.00 -0.46 -0.07 0.00 0.03 0.00 0.00 46.19 45.69 2cpm s LEU 90 CO 0.00 -0.57 0.58 -0.89 0.23 0.00 0.00 176.35 175.70 2cpm s THR 91 N -3.21 4.84 -0.03 5.49 2.01 0.80 -4.19 115.64 121.36 2cpm s THR 91 Ca 0.36 0.79 0.02 0.00 0.31 0.00 0.00 61.69 63.17 2cpm s THR 91 Cb 0.09 -3.71 0.01 0.00 0.01 0.00 0.00 72.50 68.89 2cpm s THR 91 CO 0.16 0.14 -0.09 -0.94 -0.69 0.00 0.00 174.62 173.19 2cpm s SER 92 N -1.90 1.22 -0.23 3.53 1.04 -1.26 -0.62 113.70 115.47 2cpm s SER 92 Ca 0.42 -0.19 -0.15 0.00 0.48 0.00 0.00 55.95 56.51 2cpm s SER 92 Cb -0.14 -0.38 0.07 0.00 0.10 0.00 0.00 66.02 65.67 2cpm s SER 92 CO 0.20 0.05 0.59 -0.36 0.98 0.00 0.00 173.24 174.69 2cpm s PHE 93 N 0.32 -0.83 -0.14 5.02 0.08 0.28 -4.97 117.98 117.74 2cpm s PHE 93 Ca -0.05 1.76 -0.09 0.00 0.12 0.00 0.00 56.93 58.67 2cpm s PHE 93 Cb -0.10 0.43 -0.04 0.00 -0.57 0.00 0.00 43.02 42.74 2cpm s PHE 93 CO 0.01 -0.42 0.16 0.45 -0.10 0.00 0.00 175.22 175.32 2cpm s SER 94 N 1.25 6.36 -0.05 1.36 0.15 -1.26 0.02 113.70 121.53 2cpm s SER 94 Ca -0.07 0.43 -0.02 0.00 0.70 0.00 0.00 55.95 56.98 2cpm s SER 94 Cb -0.06 -2.09 0.04 0.00 -1.71 0.00 0.00 66.02 62.19 2cpm s SER 94 CO -0.13 0.31 0.10 -0.36 1.20 0.00 0.00 173.24 174.37 2cpm s PHE 95 N -0.49 -0.06 0.06 3.44 0.08 -0.79 -4.93 117.98 115.29 2cpm s PHE 95 Ca 0.13 0.39 0.00 0.00 0.12 0.00 0.00 56.93 57.57 2cpm s PHE 95 Cb -0.12 -0.29 -0.04 0.00 -0.57 0.00 0.00 43.02 42.01 2cpm s PHE 95 CO 0.03 -0.19 -0.04 0.20 -0.10 0.00 0.00 175.22 175.11 2cpm s GLY 96 N 1.80 0.51 0.07 4.36 0.00 -1.26 -3.31 107.32 109.49 2cpm s GLY 96 Ca -0.01 -1.09 0.11 0.00 0.00 0.00 0.00 44.72 43.73 2cpm s GLY 96 CO -0.04 -1.19 1.02 0.83 0.00 0.00 0.00 173.10 173.72 2cpm h GLU 97 N 3.50 0.00 -6.87 2.90 4.39 -2.00 -3.47 114.58 113.04 2cpm h GLU 97 Ca -0.34 0.00 -0.69 0.00 0.34 0.00 0.00 59.36 58.67 2cpm h GLU 97 Cb 1.16 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.60 2cpm h GLU 97 CO 0.59 0.68 -0.86 0.34 -1.16 0.00 0.00 179.01 178.60 2cpm s ASP 98 N -6.35 3.39 0.38 1.42 2.15 -1.17 -5.03 116.67 111.47 2cpm s ASP 98 Ca -0.01 -0.74 0.05 0.00 0.43 0.00 0.00 52.55 52.28 2cpm s ASP 98 Cb 0.09 -0.26 0.76 0.00 -0.30 0.00 0.00 42.92 43.21 2cpm s ASP 98 CO 0.81 0.17 2.03 -2.24 -0.17 0.00 0.00 175.17 175.78 2cpm h ASP 99 N 3.81 0.59 0.20 -0.34 3.04 -2.04 -2.73 116.42 118.95 2cpm h ASP 99 Ca -0.51 -0.01 -0.27 0.00 -3.24 0.00 0.00 57.03 53.00 2cpm h ASP 99 Cb 1.17 -0.15 0.03 0.00 -1.04 0.00 0.00 39.33 39.34 2cpm h ASP 99 CO 0.40 0.43 -1.19 0.44 -2.04 0.00 0.00 179.24 177.28 2cpm h ASP 100 N 0.70 0.65 -3.52 4.15 3.32 -2.00 -3.42 116.42 116.29 2cpm h ASP 100 Ca 0.20 -0.93 -0.69 0.00 0.02 0.00 0.00 57.03 55.62 2cpm h ASP 100 Cb -0.05 -0.21 -0.18 0.00 0.22 0.00 0.00 39.33 39.10 2cpm h ASP 100 CO -0.04 1.57 -0.16 0.00 -1.72 0.00 0.00 179.24 178.88 2cpm s ARG 102 N 2.22 0.02 0.52 0.00 3.52 -1.26 -3.02 118.95 120.95 2cpm s ARG 102 Ca 0.13 0.39 -0.02 0.00 -0.13 0.00 0.00 55.73 56.10 2cpm s ARG 102 Cb -0.17 -0.64 0.00 0.00 -1.56 0.00 0.00 34.95 32.58 2cpm s ARG 102 CO 0.14 -0.40 0.78 1.52 -0.81 0.00 0.00 175.30 176.53 2cpm s TYR 103 N 2.24 3.23 -0.20 5.12 -0.85 -1.21 -4.68 117.35 121.00 2cpm s TYR 103 Ca 0.04 0.42 -0.05 0.00 -0.52 0.00 0.00 57.07 56.96 2cpm s TYR 103 Cb -0.13 -2.51 -0.02 0.00 0.38 0.00 0.00 41.96 39.68 2cpm s TYR 103 CO -0.06 -0.58 -0.01 0.54 -1.52 0.00 0.00 175.55 173.93 2cpm s VAL 104 N -2.76 3.86 0.29 -3.49 0.11 -1.15 -1.88 120.40 115.38 2cpm s VAL 104 Ca 0.51 -0.34 0.09 0.00 -2.93 0.00 0.00 61.98 59.31 2cpm s VAL 104 Cb -0.10 -2.75 -0.04 0.00 -1.53 0.00 0.00 36.38 31.96 2cpm s VAL 104 CO 0.41 0.42 0.06 -0.04 -3.33 0.00 0.00 175.10 172.62 2cpm s MET 105 N 1.10 2.38 -0.01 1.54 -1.94 0.10 -1.20 119.30 121.28 2cpm s MET 105 Ca 0.02 -1.42 -0.01 0.00 -1.71 0.00 0.00 55.69 52.57 2cpm s MET 105 Cb -0.14 -2.20 -0.00 0.00 2.01 0.00 0.00 34.83 34.49 2cpm s MET 105 CO 0.01 0.30 0.02 0.96 -0.01 0.00 0.00 175.02 176.30 2cpm s ILE 106 N -2.34 0.02 0.35 2.53 -4.36 -0.80 -0.56 121.20 116.05 2cpm s ILE 106 Ca 0.33 -0.15 0.07 0.00 -0.26 0.00 0.00 60.65 60.64 2cpm s ILE 106 Cb -0.05 -0.09 -0.07 0.00 1.25 0.00 0.00 42.46 43.50 2cpm s ILE 106 CO 0.21 -0.08 -0.02 -0.36 0.24 0.00 0.00 174.94 174.93 2cpm s PHE 107 N -0.24 2.27 0.56 1.37 0.40 0.21 -2.05 117.98 120.50 2cpm s PHE 107 Ca -0.03 -0.68 0.01 0.00 -0.60 0.00 0.00 56.93 55.63 2cpm s PHE 107 Cb -0.02 -1.45 0.04 0.00 0.51 0.00 0.00 43.02 42.10 2cpm s PHE 107 CO -0.00 0.37 0.78 0.15 0.70 0.00 0.00 175.22 177.22 2cpm s LYS 108 N -3.72 2.49 0.10 0.44 1.02 -1.11 -0.14 119.74 118.82 2cpm s LYS 108 Ca 0.34 -0.83 -0.20 0.00 0.02 0.00 0.00 55.97 55.29 2cpm s LYS 108 Cb 0.07 -2.49 -0.09 0.00 -0.52 0.00 0.00 37.83 34.80 2cpm s LYS 108 CO 0.16 -0.75 1.69 -0.22 -0.92 0.00 0.00 175.35 175.31 2cpm h LYS 109 N 0.05 0.23 0.14 1.68 3.64 -1.93 0.74 116.57 121.12 2cpm h LYS 109 Ca -0.41 -0.03 -0.29 0.00 -1.27 0.00 0.00 60.65 58.65 2cpm h LYS 109 Cb 1.29 -0.04 0.02 0.00 -0.41 0.00 0.00 32.23 33.09 2cpm h LYS 109 CO 0.51 0.24 -1.26 1.49 -2.27 0.00 0.00 179.45 178.17 2cpm h GLU 110 N 0.16 0.44 -0.69 1.90 4.81 -1.98 -3.21 114.58 116.01 2cpm h GLU 110 Ca 0.06 -0.66 0.00 0.00 -0.13 0.00 0.00 59.36 58.62 2cpm h GLU 110 Cb 0.08 0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.69 2cpm h GLU 110 CO -0.01 1.30 0.00 1.19 -0.73 0.00 0.00 179.01 180.76 2cpm n PHE 111 N -3.67 1.11 -2.31 0.92 3.72 -1.18 -4.94 117.46 111.11 2cpm n PHE 111 Ca -0.11 -0.40 -0.38 0.00 -0.05 0.00 0.00 57.45 56.50 2cpm n PHE 111 Cb 1.01 -0.28 -0.02 0.00 -0.94 0.00 0.00 39.48 39.25 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 -1.92 3.11 0.65 4.37 0.00 0.26 -4.21 121.76 124.01 2cpm s ALA 112 Ca 0.32 0.93 -0.15 0.00 0.00 0.00 0.00 51.96 53.06 2cpm s ALA 112 Cb 0.23 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 2cpm s ALA 112 CO 0.12 -0.52 1.11 -1.25 0.00 0.00 0.00 175.76 175.22 2cpm s PRO 113 N -2.40 2.85 0.45 0.00 0.04 -1.26 -5.01 135.00 129.67 2cpm s PRO 113 Ca 0.58 1.41 -0.03 0.00 0.04 0.00 0.00 61.00 63.00 2cpm s PRO 113 Cb -0.29 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 2cpm s PRO 113 CO 0.37 -1.22 0.72 -1.12 0.04 0.00 0.00 177.00 175.79 2cpm s SER 114 N -2.52 6.14 0.02 6.66 0.01 -1.26 -4.90 113.70 117.85 2cpm s SER 114 Ca 0.67 0.69 -0.10 0.00 1.31 0.00 0.00 55.95 58.52 2cpm s SER 114 Cb -0.21 -2.03 -0.05 0.00 0.21 0.00 0.00 66.02 63.95 2cpm s SER 114 CO 0.40 -0.57 1.15 -0.78 0.41 0.00 0.00 173.24 173.85 2cpm h ASP 115 N 0.35 -0.39 -0.65 2.44 3.58 -1.99 0.40 116.42 120.17 2cpm h ASP 115 Ca -0.47 0.03 0.13 0.00 0.42 0.00 0.00 57.03 57.13 2cpm h ASP 115 Cb 1.22 0.13 -0.09 0.00 1.72 0.00 0.00 39.33 42.31 2cpm h ASP 115 CO 0.61 -0.18 0.14 -0.33 -2.88 0.00 0.00 179.24 176.60 2cpm h GLU 116 N -0.27 0.26 -0.79 0.28 3.07 -2.00 -0.27 114.58 114.86 2cpm h GLU 116 Ca -0.02 -0.02 0.04 0.00 -0.50 0.00 0.00 59.36 58.87 2cpm h GLU 116 Cb 0.24 -0.06 -0.05 0.00 -0.84 0.00 0.00 28.75 28.04 2cpm h GLU 116 CO -0.02 0.17 0.49 0.93 -1.40 0.00 0.00 179.01 179.18 2cpm h GLU 117 N 0.27 0.91 -0.26 2.33 4.39 -1.91 -2.37 114.58 117.94 2cpm h GLU 117 Ca 0.35 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 60.03 2cpm h GLU 117 Cb 0.54 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 28.94 2cpm h GLU 117 CO -0.44 0.61 0.02 -0.07 -1.16 0.00 0.00 179.01 177.97 2cpm h LEU 118 N 0.94 -0.06 -0.26 1.33 3.38 0.16 0.48 115.31 121.28 2cpm h LEU 118 Ca 0.33 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.39 2cpm h LEU 118 Cb 0.07 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2cpm h LEU 118 CO -0.13 0.00 0.01 -0.78 0.09 0.00 0.00 178.44 177.63 2cpm h ASP 119 N 0.11 -0.08 -0.05 -0.43 1.82 -0.98 -1.89 116.42 114.91 2cpm h ASP 119 Ca 0.12 0.06 -0.09 0.00 -0.39 0.00 0.00 57.03 56.72 2cpm h ASP 119 Cb 0.15 0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.24 2cpm h ASP 119 CO -0.19 -0.01 -0.25 0.77 -1.61 0.00 0.00 179.24 177.95 2cpm h SER 120 N 0.09 0.48 -0.61 2.28 4.64 -1.02 -2.36 113.55 117.05 2cpm h SER 120 Ca 0.12 -0.16 0.05 0.00 -0.47 0.00 0.00 61.79 61.34 2cpm h SER 120 Cb 0.16 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 62.07 2cpm h SER 120 CO -0.20 0.72 0.32 1.88 -0.87 0.00 0.00 176.83 178.69 2cpm h TYR 121 N 0.42 0.60 -0.20 4.77 0.05 0.71 -1.09 116.97 122.23 2cpm h TYR 121 Ca 0.06 0.02 -0.14 0.00 0.05 0.00 0.00 58.73 58.73 2cpm h TYR 121 Cb 0.66 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.23 2cpm h TYR 121 CO 0.02 0.29 -0.41 0.00 -1.05 0.00 0.00 178.16 177.01 2cpm h ARG 122 N 0.61 0.64 -0.05 4.88 -0.00 -1.26 -3.01 114.38 116.19 2cpm h ARG 122 Ca 0.27 -0.41 0.02 0.00 -0.50 0.00 0.00 59.98 59.35 2cpm h ARG 122 Cb 0.17 0.05 -0.00 0.00 0.00 0.00 0.00 29.97 30.19 2cpm h ARG 122 CO -0.17 1.03 0.07 0.00 0.00 0.00 0.00 179.97 180.89 2cpm h ARG 123 N 0.32 0.00 -2.94 0.04 3.08 -1.02 -3.47 114.38 110.40 2cpm h ARG 123 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2cpm h ARG 123 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.06 2cpm h ARG 123 CO 0.09 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.40 2cpm n GLY 124 N -1.33 -0.32 3.24 0.04 0.00 -0.45 -5.09 105.19 101.28 2cpm n GLY 124 Ca -0.02 -0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.88 2.15 0.00 1.61 1.04 -1.18 -5.07 113.70 110.37 2cpm s SER 125 Ca 0.00 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.73 2cpm s SER 125 Cb 0.00 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.02 2cpm s SER 125 CO 0.00 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.80 2cpm n GLY 126 N 0.99 3.32 0.00 7.32 0.00 -1.26 -4.88 105.19 110.67 2cpm n GLY 126 Ca -0.19 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 45.76 2cpm n GLY 126 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cpm n PRO 127 N 0.00 0.07 -2.90 1.61 -0.04 -1.26 -4.66 135.00 127.82 2cpm n PRO 127 Ca 0.00 0.22 -0.42 0.00 -0.04 0.00 0.00 63.50 63.26 2cpm n PRO 127 Cb 0.00 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.92 2cpm n PRO 127 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2cpm s SER 128 N -2.85 6.75 0.06 3.54 0.01 -1.26 -4.96 113.70 114.99 2cpm s SER 128 Ca 0.09 0.84 -0.30 0.00 1.31 0.00 0.00 55.95 57.89 2cpm s SER 128 Cb 0.09 -2.43 -0.18 0.00 0.21 0.00 0.00 66.02 63.72 2cpm s SER 128 CO 0.25 -0.59 1.56 0.28 0.41 0.00 0.00 173.24 175.14 2cpm h SER 129 N 7.94 -0.56 0.00 2.44 0.02 -2.04 -3.53 113.55 117.83 2cpm h SER 129 Ca -0.24 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 2cpm h SER 129 Cb 1.09 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2cpm h SER 129 CO 0.89 -0.35 0.00 0.61 -1.14 0.00 0.00 176.83 176.84