#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ico s SER 2 N 0.00 2.59 0.03 6.12 0.15 -0.58 -5.03 113.70 116.98 3ico s SER 2 Ca 0.00 -0.72 0.01 0.00 0.70 0.00 0.00 55.95 55.94 3ico s SER 2 Cb 0.00 -0.14 -0.02 0.00 -1.71 0.00 0.00 66.02 64.14 3ico s SER 2 CO 0.00 0.05 -0.05 -0.94 1.20 0.00 0.00 173.24 173.50 3ico s SER 3 N -2.03 0.45 0.02 5.45 1.04 -1.26 -1.82 113.70 115.54 3ico s SER 3 Ca 0.08 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.00 3ico s SER 3 Cb -0.09 0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.09 3ico s SER 3 CO 0.05 -0.26 -0.03 -0.94 0.98 0.00 0.00 173.24 173.04 3ico s SER 4 N -1.48 0.21 -0.13 7.02 1.04 0.04 -4.92 113.70 115.49 3ico s SER 4 Ca -0.14 -0.44 -0.00 0.00 0.48 0.00 0.00 55.95 55.85 3ico s SER 4 Cb -0.10 0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.09 3ico s SER 4 CO -0.01 -0.26 -0.12 -0.63 0.98 0.00 0.00 173.24 173.21 3ico s ILE 5 N -1.28 3.20 -0.05 -1.02 1.01 -1.26 -0.59 121.20 121.21 3ico s ILE 5 Ca -0.14 -0.62 0.05 0.00 0.00 0.00 0.00 60.65 59.95 3ico s ILE 5 Cb -0.09 -2.34 -0.01 0.00 0.01 0.00 0.00 42.46 40.03 3ico s ILE 5 CO -0.01 0.53 -0.21 -1.61 0.00 0.00 0.00 174.94 173.63 3ico s GLU 6 N 0.23 2.14 -0.05 2.79 2.02 -0.18 -4.99 118.70 120.65 3ico s GLU 6 Ca -0.08 -0.77 0.06 0.00 0.02 0.00 0.00 54.97 54.21 3ico s GLU 6 Cb -0.15 -1.86 -0.01 0.00 0.10 0.00 0.00 34.13 32.21 3ico s GLU 6 CO 0.05 0.34 -0.25 0.42 0.02 0.00 0.00 175.26 175.84 3ico s ILE 7 N -0.12 2.04 0.19 -1.63 1.01 -1.26 -0.79 121.20 120.63 3ico s ILE 7 Ca -0.02 -1.06 0.08 0.00 0.00 0.00 0.00 60.65 59.65 3ico s ILE 7 Cb -0.12 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 3ico s ILE 7 CO 0.02 0.57 -0.17 -0.36 0.00 0.00 0.00 174.94 175.01 3ico s PHE 8 N -0.19 1.78 0.32 3.97 0.40 0.35 -4.97 117.98 119.65 3ico s PHE 8 Ca -0.03 -0.51 0.02 0.00 -0.60 0.00 0.00 56.93 55.82 3ico s PHE 8 Cb -0.13 -0.86 0.58 0.00 0.51 0.00 0.00 43.02 43.12 3ico s PHE 8 CO 0.03 0.36 1.92 -1.35 0.70 0.00 0.00 175.22 176.88 3ico h PRO 9 N 2.91 0.93 -3.38 0.24 0.11 -1.95 -0.80 132.00 130.06 3ico h PRO 9 Ca -0.40 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 3ico h PRO 9 Cb 1.22 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 3ico h PRO 9 CO 0.56 0.62 0.12 0.16 -0.21 0.00 0.00 178.00 179.24 3ico s ASP 10 N -6.06 0.31 0.41 -2.05 1.47 -1.26 -4.22 116.67 105.27 3ico s ASP 10 Ca -0.11 -1.25 0.22 0.00 1.18 0.00 0.00 52.55 52.59 3ico s ASP 10 Cb 0.20 0.79 0.60 0.00 -0.34 0.00 0.00 42.92 44.16 3ico s ASP 10 CO 0.79 -1.55 1.69 0.77 0.68 0.00 0.00 175.17 177.55 3ico h SER 11 N 2.04 0.00 -0.24 2.11 4.64 -1.95 -1.96 113.55 118.19 3ico h SER 11 Ca -0.31 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.93 3ico h SER 11 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 3ico h SER 11 CO 0.40 0.24 -0.17 0.44 -0.87 0.00 0.00 176.83 176.86 3ico h ASP 12 N 0.00 0.57 -0.33 4.97 5.19 -1.99 0.44 116.42 125.27 3ico h ASP 12 Ca -0.00 -0.44 -0.12 0.00 -0.62 0.00 0.00 57.03 55.85 3ico h ASP 12 Cb 0.96 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 40.30 3ico h ASP 12 CO 0.03 0.89 -0.25 0.40 -3.12 0.00 0.00 179.24 177.20 3ico h ILE 13 N 0.25 1.29 -0.09 0.35 2.04 -1.97 -2.08 117.51 117.31 3ico h ILE 13 Ca 0.05 -1.40 0.04 0.00 1.00 0.00 0.00 64.86 64.55 3ico h ILE 13 Cb 0.70 1.47 -0.06 0.00 -0.74 0.00 0.00 36.82 38.19 3ico h ILE 13 CO 0.05 0.45 -0.41 0.25 0.00 0.00 0.00 178.15 178.49 3ico h LEU 14 N 0.52 -1.27 -0.43 1.44 6.46 -1.35 -1.34 115.31 119.35 3ico h LEU 14 Ca 0.06 0.16 0.06 0.00 -0.12 0.00 0.00 57.88 58.05 3ico h LEU 14 Cb 0.81 0.51 -0.06 0.00 -0.73 0.00 0.00 40.66 41.19 3ico h LEU 14 CO 0.07 -0.43 0.10 0.58 -0.62 0.00 0.00 178.44 178.14 3ico h VAL 15 N -0.51 0.80 -0.79 1.05 2.07 -0.86 -0.28 116.25 117.72 3ico h VAL 15 Ca 0.07 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.53 3ico h VAL 15 Cb 0.63 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 3ico h VAL 15 CO -0.37 0.04 0.53 0.00 0.02 0.00 0.00 177.57 177.79 3ico h ALA 16 N 1.31 1.47 -0.17 1.67 0.00 -1.01 0.31 119.26 122.85 3ico h ALA 16 Ca 0.21 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 3ico h ALA 16 Cb 0.24 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3ico h ALA 16 CO -0.26 0.47 -0.33 0.00 0.00 0.00 0.00 179.25 179.13 3ico h ALA 17 N 1.52 0.27 -0.68 0.00 0.00 -0.67 -1.74 119.26 117.95 3ico h ALA 17 Ca 0.30 -0.42 0.07 0.00 0.00 0.00 0.00 54.91 54.86 3ico h ALA 17 Cb -0.05 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 3ico h ALA 17 CO -0.08 0.31 0.36 0.00 0.00 0.00 0.00 179.25 179.85 3ico h ALA 18 N 0.57 0.92 0.35 0.00 0.00 -0.59 -0.60 119.26 119.93 3ico h ALA 18 Ca 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3ico h ALA 18 Cb 0.93 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 3ico h ALA 18 CO 0.07 0.00 -0.20 0.78 0.00 0.00 0.00 179.25 179.90 3ico h GLY 19 N 0.64 -0.54 1.01 0.00 0.00 -0.31 0.44 103.07 104.31 3ico h GLY 19 Ca 0.32 0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.87 3ico h GLY 19 CO -0.22 -0.21 0.46 1.70 0.00 0.00 0.00 176.54 178.27 3ico h LYS 20 N -0.52 0.99 -0.68 4.80 3.64 -1.19 -0.79 116.57 122.82 3ico h LYS 20 Ca -0.04 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 3ico h LYS 20 Cb 0.42 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 3ico h LYS 20 CO 0.05 0.69 0.31 -0.09 -2.27 0.00 0.00 179.45 178.14 3ico h ARG 21 N 1.00 1.00 -0.53 1.90 2.43 -0.93 -2.52 114.38 116.74 3ico h ARG 21 Ca 0.27 -0.16 -0.09 0.00 -0.81 0.00 0.00 59.98 59.19 3ico h ARG 21 Cb -0.06 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.30 3ico h ARG 21 CO -0.05 0.80 -0.04 1.25 -1.51 0.00 0.00 179.97 180.42 3ico h LEU 22 N 0.96 0.90 -0.45 3.80 5.85 0.57 -0.71 115.31 126.24 3ico h LEU 22 Ca 0.23 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.72 3ico h LEU 22 Cb 0.15 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3ico h LEU 22 CO -0.03 0.99 0.25 0.58 -0.34 0.00 0.00 178.44 179.89 3ico h VAL 23 N 0.84 1.01 -0.52 1.05 2.07 -1.11 -1.58 116.25 118.02 3ico h VAL 23 Ca 0.15 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.54 3ico h VAL 23 Cb 0.56 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 3ico h VAL 23 CO 0.03 0.09 0.27 1.23 0.02 0.00 0.00 177.57 179.22 3ico h GLY 24 N 0.50 0.74 1.13 2.17 0.00 -0.99 -2.52 103.07 104.09 3ico h GLY 24 Ca 0.18 -0.19 -0.09 0.00 0.00 0.00 0.00 47.33 47.23 3ico h GLY 24 CO -0.10 0.13 0.04 0.00 0.00 0.00 0.00 176.54 176.60 3ico h ALA 25 N 1.27 0.90 -0.16 3.60 0.00 -0.77 0.25 119.26 124.36 3ico h ALA 25 Ca 0.23 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3ico h ALA 25 Cb 0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3ico h ALA 25 CO -0.15 0.66 0.07 0.82 0.00 0.00 0.00 179.25 180.65 3ico h ILE 26 N 0.97 1.13 -0.89 0.00 2.04 -1.26 -0.05 117.51 119.46 3ico h ILE 26 Ca 0.18 -0.39 0.03 0.00 1.00 0.00 0.00 64.86 65.68 3ico h ILE 26 Cb 0.51 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 3ico h ILE 26 CO 0.02 0.12 0.58 1.23 0.00 0.00 0.00 178.15 180.11 3ico h GLY 27 N 0.12 1.29 1.06 5.37 0.00 -1.16 -1.04 103.07 108.70 3ico h GLY 27 Ca 0.05 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 3ico h GLY 27 CO -0.01 0.39 -0.00 0.00 0.00 0.00 0.00 176.54 176.92 3ico h ALA 28 N 1.36 0.76 -0.42 3.60 0.00 -0.76 -1.63 119.26 122.17 3ico h ALA 28 Ca 0.35 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3ico h ALA 28 Cb -0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3ico h ALA 28 CO -0.11 0.59 -0.04 0.00 0.00 0.00 0.00 179.25 179.69 3ico h ALA 29 N 0.96 0.58 -0.70 0.00 0.00 -0.64 -2.36 119.26 117.11 3ico h ALA 29 Ca 0.16 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3ico h ALA 29 Cb 0.55 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3ico h ALA 29 CO 0.03 0.41 0.26 0.28 0.00 0.00 0.00 179.25 180.22 3ico h VAL 30 N 0.61 1.25 -0.57 0.00 2.07 -1.12 -0.23 116.25 118.26 3ico h VAL 30 Ca 0.12 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 3ico h VAL 30 Cb 0.55 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3ico h VAL 30 CO 0.03 0.32 0.29 0.00 0.02 0.00 0.00 177.57 178.23 3ico h ALA 31 N 1.12 0.73 0.24 1.67 0.00 -1.20 0.27 119.26 122.09 3ico h ALA 31 Ca 0.23 -0.12 -0.32 0.00 0.00 0.00 0.00 54.91 54.70 3ico h ALA 31 Cb 0.24 -0.23 0.04 0.00 0.00 0.00 0.00 17.79 17.84 3ico h ALA 31 CO -0.01 0.28 -1.39 0.00 0.00 0.00 0.00 179.25 178.13 3ico h ALA 32 N 1.12 -0.15 0.00 0.00 0.00 -1.29 -3.40 119.26 115.54 3ico h ALA 32 Ca 0.20 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3ico h ALA 32 Cb 0.10 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3ico h ALA 32 CO -0.03 0.65 0.00 0.54 0.00 0.00 0.00 179.25 180.41 3ico n ARG 33 N -3.78 1.54 -1.00 0.00 1.74 -0.11 -5.01 116.66 110.03 3ico n ARG 33 Ca -0.16 -0.18 -0.00 0.00 -0.77 0.00 0.00 57.85 56.73 3ico n ARG 33 Cb 1.07 -0.61 -0.00 0.00 -1.02 0.00 0.00 32.46 31.90 3ico n ARG 33 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ico n GLY 34 N 0.27 0.42 3.39 -0.13 0.00 0.96 -4.98 105.19 105.13 3ico n GLY 34 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 3ico n GLY 34 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ico s GLN 35 N -0.37 0.98 -0.16 1.61 -2.07 -1.25 -4.90 119.66 113.50 3ico s GLN 35 Ca 0.00 -0.15 0.01 0.00 -1.82 0.00 0.00 55.36 53.40 3ico s GLN 35 Cb 0.00 0.45 0.01 0.00 -1.09 0.00 0.00 33.01 32.37 3ico s GLN 35 CO 0.00 -0.33 -0.17 0.00 -1.32 0.00 0.00 175.29 173.46 3ico s ALA 36 N -2.06 2.41 -0.38 2.60 0.00 -0.04 -3.60 121.76 120.69 3ico s ALA 36 Ca -0.07 -1.11 -0.09 0.00 0.00 0.00 0.00 51.96 50.69 3ico s ALA 36 Cb -0.01 -1.19 0.05 0.00 0.00 0.00 0.00 23.12 21.97 3ico s ALA 36 CO 0.01 -0.15 0.19 -0.51 0.00 0.00 0.00 175.76 175.30 3ico s LEU 37 N 0.99 4.73 -0.10 0.00 1.43 -1.26 -0.53 118.68 123.94 3ico s LEU 37 Ca -0.02 -1.24 0.04 0.00 -1.03 0.00 0.00 54.13 51.88 3ico s LEU 37 Cb -0.15 -1.95 -0.00 0.00 0.03 0.00 0.00 46.19 44.12 3ico s LEU 37 CO -0.04 -0.42 -0.24 -0.63 0.23 0.00 0.00 176.35 175.25 3ico s ILE 38 N 1.45 2.09 -0.27 -0.59 -1.09 -0.18 -0.42 121.20 122.19 3ico s ILE 38 Ca 0.01 -1.01 -0.09 0.00 -2.23 0.00 0.00 60.65 57.33 3ico s ILE 38 Cb -0.21 -1.79 -0.04 0.00 -1.58 0.00 0.00 42.46 38.84 3ico s ILE 38 CO 0.04 0.56 0.13 -0.69 -1.23 0.00 0.00 174.94 173.74 3ico s VAL 39 N 0.32 4.78 0.45 2.92 1.01 0.02 -1.22 120.40 128.68 3ico s VAL 39 Ca -0.18 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 3ico s VAL 39 Cb -0.18 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 3ico s VAL 39 CO 0.09 0.28 0.69 -0.76 0.00 0.00 0.00 175.10 175.40 3ico s LEU 40 N 1.68 3.67 0.25 3.92 1.43 0.03 -1.05 118.68 128.61 3ico s LEU 40 Ca 0.07 0.46 0.01 0.00 -1.03 0.00 0.00 54.13 53.64 3ico s LEU 40 Cb -0.16 -3.34 -0.05 0.00 0.03 0.00 0.00 46.19 42.67 3ico s LEU 40 CO 0.07 -0.64 0.10 0.28 0.23 0.00 0.00 176.35 176.39 3ico s THR 41 N -2.59 0.51 0.00 5.49 -1.32 -1.26 -1.09 115.64 115.38 3ico s THR 41 Ca 0.47 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.95 3ico s THR 41 Cb -0.10 -2.62 0.00 0.00 -1.51 0.00 0.00 72.50 68.27 3ico s THR 41 CO 0.39 -0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.41 3ico n GLY 42 N -0.44 2.88 0.00 6.08 0.00 -1.26 -4.42 105.19 108.03 3ico n GLY 42 Ca 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.89 3ico n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ico n GLY 43 N 5.00 -0.45 0.21 -0.02 0.00 -1.26 -4.30 105.19 104.36 3ico n GLY 43 Ca 0.00 -1.60 -0.07 0.00 0.00 0.00 0.00 46.02 44.35 3ico n GLY 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ico h GLY 44 N 0.00 0.07 0.99 -0.02 0.00 -1.98 -1.62 103.07 100.51 3ico h GLY 44 Ca 0.00 0.20 -0.07 0.00 0.00 0.00 0.00 47.33 47.46 3ico h GLY 44 CO 0.00 -0.17 0.03 3.43 0.00 0.00 0.00 176.54 179.83 3ico h ASN 45 N -0.12 0.81 -0.75 0.19 2.35 -1.89 -1.50 115.58 114.67 3ico h ASN 45 Ca 0.15 -0.29 -0.02 0.00 -0.55 0.00 0.00 56.30 55.59 3ico h ASN 45 Cb 0.35 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.47 3ico h ASN 45 CO -0.37 0.90 0.40 1.23 -1.65 0.00 0.00 177.43 177.94 3ico h GLY 46 N 0.69 1.15 0.93 2.83 0.00 -1.63 -0.05 103.07 106.99 3ico h GLY 46 Ca 0.14 -0.53 -0.19 0.00 0.00 0.00 0.00 47.33 46.75 3ico h GLY 46 CO 0.02 0.51 -0.73 -2.22 0.00 0.00 0.00 176.54 174.12 3ico h ILE 47 N 1.08 1.38 -0.92 2.60 1.08 -1.29 -3.07 117.51 118.36 3ico h ILE 47 Ca 0.27 -2.11 0.14 0.00 -0.39 0.00 0.00 64.86 62.77 3ico h ILE 47 Cb 0.06 2.49 -0.08 0.00 -3.07 0.00 0.00 36.82 36.23 3ico h ILE 47 CO -0.04 0.63 0.59 0.00 -0.69 0.00 0.00 178.15 178.64 3ico h ALA 48 N 0.36 1.74 -0.79 1.87 0.00 -1.06 -1.48 119.26 119.90 3ico h ALA 48 Ca -0.09 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3ico h ALA 48 Cb 1.42 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 3ico h ALA 48 CO 0.14 0.02 0.32 1.25 0.00 0.00 0.00 179.25 180.98 3ico h LEU 49 N 0.78 1.08 -1.31 0.00 5.85 -0.99 -2.21 115.31 118.51 3ico h LEU 49 Ca 0.46 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.98 3ico h LEU 49 Cb 0.65 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3ico h LEU 49 CO -0.23 0.95 0.02 -0.07 -0.34 0.00 0.00 178.44 178.78 3ico h LEU 50 N 1.14 0.45 -0.67 2.25 3.38 -1.19 -2.25 115.31 118.42 3ico h LEU 50 Ca 0.26 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 58.04 3ico h LEU 50 Cb 0.21 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3ico h LEU 50 CO -0.02 0.50 -0.20 0.03 0.09 0.00 0.00 178.44 178.84 3ico h ARG 51 N 0.47 0.82 -0.28 1.13 3.08 -0.96 -0.82 114.38 117.82 3ico h ARG 51 Ca 0.11 -0.32 0.01 0.00 0.07 0.00 0.00 59.98 59.85 3ico h ARG 51 Cb 0.28 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3ico h ARG 51 CO 0.01 0.95 0.16 -0.92 -1.07 0.00 0.00 179.97 179.09 3ico h TYR 52 N 0.72 0.29 -0.82 3.04 3.20 -1.07 -0.35 116.97 121.98 3ico h TYR 52 Ca 0.10 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 3ico h TYR 52 Cb 0.72 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.86 3ico h TYR 52 CO 0.04 0.17 0.48 -0.07 -1.64 0.00 0.00 178.16 177.14 3ico h LEU 53 N 0.33 0.99 0.03 2.82 3.38 -1.08 -1.50 115.31 120.28 3ico h LEU 53 Ca 0.11 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3ico h LEU 53 Cb 0.01 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 3ico h LEU 53 CO -0.06 0.77 -0.03 -1.28 0.09 0.00 0.00 178.44 177.94 3ico h SER 54 N 1.13 -0.06 0.04 -0.43 0.87 -0.78 0.35 113.55 114.67 3ico h SER 54 Ca 0.29 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.85 3ico h SER 54 Cb -0.02 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3ico h SER 54 CO -0.05 -0.04 -0.03 0.00 -0.53 0.00 0.00 176.83 176.18 3ico h ALA 55 N 0.90 1.71 -0.41 6.23 0.00 -0.59 -2.32 119.26 124.79 3ico h ALA 55 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3ico h ALA 55 Cb 0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3ico h ALA 55 CO -0.00 0.03 0.01 1.04 0.00 0.00 0.00 179.25 180.33 3ico n GLN 56 N -4.15 3.73 -0.31 0.00 3.00 -0.61 -4.77 117.38 114.28 3ico n GLN 56 Ca -0.03 -2.99 0.21 0.00 -0.01 0.00 0.00 57.00 54.17 3ico n GLN 56 Cb 0.11 -2.03 0.49 0.00 0.00 0.00 0.00 30.24 28.81 3ico n GLN 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3ico h ALA 57 N 2.70 2.16 0.00 -1.58 0.00 -0.35 0.98 119.26 123.16 3ico h ALA 57 Ca 0.02 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3ico h ALA 57 Cb 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.50 3ico h ALA 57 CO 0.36 -0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.07 3ico n GLN 58 N -4.61 0.03 0.04 0.00 0.00 -1.26 -1.79 117.38 109.78 3ico n GLN 58 Ca 0.24 0.29 0.13 0.00 0.00 0.00 0.00 57.00 57.66 3ico n GLN 58 Cb 0.80 -1.50 0.44 0.00 0.00 0.00 0.00 30.24 29.98 3ico n GLN 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 3ico n GLN 59 N -1.46 0.11 -5.13 2.61 1.13 0.34 -4.90 117.38 110.08 3ico n GLN 59 Ca 0.03 0.07 -0.30 0.00 -1.94 0.00 0.00 57.00 54.86 3ico n GLN 59 Cb 0.12 -1.60 -0.16 0.00 0.11 0.00 0.00 30.24 28.70 3ico n GLN 59 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3ico s ILE 60 N -3.05 1.87 -1.04 5.09 1.01 -0.74 -4.91 121.20 119.43 3ico s ILE 60 Ca 0.12 -0.96 -0.20 0.00 0.00 0.00 0.00 60.65 59.61 3ico s ILE 60 Cb 0.16 -1.59 0.09 0.00 0.01 0.00 0.00 42.46 41.14 3ico s ILE 60 CO 0.60 0.52 1.37 -0.70 0.00 0.00 0.00 174.94 176.74 3ico s GLU 61 N -0.06 3.69 0.54 2.79 2.12 -1.26 -4.87 118.70 121.65 3ico s GLU 61 Ca -0.05 -1.59 0.22 0.00 0.36 0.00 0.00 54.97 53.92 3ico s GLU 61 Cb -0.13 -5.20 1.48 0.00 0.26 0.00 0.00 34.13 30.54 3ico s GLU 61 CO 0.04 -2.02 2.17 -1.49 -0.54 0.00 0.00 175.26 173.42 3ico h TRP 62 N 8.95 0.00 0.00 5.30 4.06 -1.90 -1.19 115.95 131.17 3ico h TRP 62 Ca 0.23 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.18 3ico h TRP 62 Cb 0.99 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.15 3ico h TRP 62 CO 1.24 0.03 0.00 0.66 -3.56 0.00 0.00 178.44 176.81 3ico h SER 63 N 0.00 0.00 -0.45 -3.49 4.64 -1.90 -2.46 113.55 109.90 3ico h SER 63 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ico h SER 63 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3ico h SER 63 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 3ico n LYS 64 N -2.59 2.91 -3.72 4.77 4.76 -0.45 -4.86 118.16 118.99 3ico n LYS 64 Ca -0.00 -2.31 -0.36 0.00 -2.87 0.00 0.00 58.31 52.77 3ico n LYS 64 Cb 0.15 -1.42 -0.07 0.00 -1.84 0.00 0.00 35.03 31.84 3ico n LYS 64 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3ico s VAL 65 N -1.20 5.40 -0.09 -0.18 1.01 -0.92 -0.86 120.40 123.56 3ico s VAL 65 Ca 0.32 0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.63 3ico s VAL 65 Cb 0.18 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 33.07 3ico s VAL 65 CO 0.20 0.48 -0.19 -1.00 0.00 0.00 0.00 175.10 174.58 3ico s HIS 66 N -0.01 2.11 0.01 5.22 3.76 0.30 -4.81 115.29 121.89 3ico s HIS 66 Ca 0.12 -0.84 0.08 0.00 -0.15 0.00 0.00 55.06 54.27 3ico s HIS 66 Cb -0.12 -1.45 -0.03 0.00 1.11 0.00 0.00 32.58 32.10 3ico s HIS 66 CO 0.01 -0.36 -0.24 -0.51 -0.85 0.00 0.00 174.74 172.78 3ico s LEU 67 N 0.48 2.22 0.27 0.89 1.43 -0.27 -1.01 118.68 122.68 3ico s LEU 67 Ca -0.17 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.45 3ico s LEU 67 Cb -0.17 -1.36 -0.05 0.00 0.03 0.00 0.00 46.19 44.65 3ico s LEU 67 CO 0.07 0.29 0.12 -0.36 0.23 0.00 0.00 176.35 176.69 3ico s PHE 68 N -0.74 1.51 -0.03 0.29 0.40 -0.35 -1.57 117.98 117.49 3ico s PHE 68 Ca 0.11 -1.26 0.07 0.00 -0.60 0.00 0.00 56.93 55.26 3ico s PHE 68 Cb -0.10 -0.85 -0.02 0.00 0.51 0.00 0.00 43.02 42.56 3ico s PHE 68 CO 0.01 -0.42 -0.25 -1.58 0.70 0.00 0.00 175.22 173.68 3ico s TRP 69 N -3.76 2.29 0.17 0.36 0.51 -1.26 -0.79 118.94 116.46 3ico s TRP 69 Ca 0.37 -0.48 -0.04 0.00 -2.12 0.00 0.00 56.10 53.83 3ico s TRP 69 Cb 0.07 -1.48 0.04 0.00 -0.81 0.00 0.00 33.47 31.30 3ico s TRP 69 CO 0.14 -0.07 1.44 0.78 -0.51 0.00 0.00 176.95 178.74 3ico h GLY 70 N 5.61 0.60 -2.16 0.98 0.00 -1.42 -3.43 103.07 103.24 3ico h GLY 70 Ca -0.41 -0.77 0.05 0.00 0.00 0.00 0.00 47.33 46.20 3ico h GLY 70 CO 0.47 0.69 0.21 0.51 0.00 0.00 0.00 176.54 178.42 3ico s ASP 71 N -6.97 -0.30 -0.02 0.19 -4.77 -1.26 -0.60 116.67 102.94 3ico s ASP 71 Ca -0.07 -0.53 -0.15 0.00 -3.30 0.00 0.00 52.55 48.50 3ico s ASP 71 Cb 0.10 0.70 0.02 0.00 -1.09 0.00 0.00 42.92 42.66 3ico s ASP 71 CO 0.85 -1.28 0.32 -0.70 0.70 0.00 0.00 175.17 175.06 3ico s GLU 72 N -3.90 0.67 -0.16 2.11 2.56 -0.15 -4.83 118.70 115.00 3ico s GLU 72 Ca 0.10 -0.16 -0.26 0.00 0.00 0.00 0.00 54.97 54.65 3ico s GLU 72 Cb -0.05 0.30 -0.02 0.00 2.00 0.00 0.00 34.13 36.36 3ico s GLU 72 CO 0.04 -0.18 0.84 1.03 -0.56 0.00 0.00 175.26 176.43 3ico s ARG 73 N -1.28 4.31 -1.22 4.30 3.00 -1.26 -1.82 118.95 124.99 3ico s ARG 73 Ca -0.13 1.05 -0.17 0.00 0.00 0.00 0.00 55.73 56.48 3ico s ARG 73 Cb -0.05 -3.57 0.11 0.00 0.00 0.00 0.00 34.95 31.45 3ico s ARG 73 CO 0.04 -0.31 1.55 -0.47 0.00 0.00 0.00 175.30 176.11 3ico s TYR 74 N 2.08 3.08 0.25 -0.53 5.04 -0.48 -4.83 117.35 121.96 3ico s TYR 74 Ca 0.39 -1.76 0.02 0.00 -2.44 0.00 0.00 57.07 53.28 3ico s TYR 74 Cb -0.17 -4.54 -0.04 0.00 0.35 0.00 0.00 41.96 37.57 3ico s TYR 74 CO 0.13 -1.63 0.17 0.14 -1.34 0.00 0.00 175.55 173.02 3ico s VAL 75 N 3.09 0.07 0.46 3.14 -7.23 -1.26 -4.62 120.40 114.05 3ico s VAL 75 Ca 0.47 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.42 3ico s VAL 75 Cb 0.00 -2.51 -0.10 0.00 0.56 0.00 0.00 36.38 34.34 3ico s VAL 75 CO 0.02 0.00 0.93 -2.65 -0.31 0.00 0.00 175.10 173.09 3ico n PRO 76 N -0.41 1.14 -0.21 4.82 -0.02 -1.26 -1.25 135.00 137.81 3ico n PRO 76 Ca 0.03 0.42 0.02 0.00 -2.02 0.00 0.00 63.50 61.95 3ico n PRO 76 Cb 0.65 -1.99 0.12 0.00 -0.02 0.00 0.00 33.50 32.26 3ico n PRO 76 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3ico h GLU 77 N 1.20 0.18 -0.16 -0.52 4.57 -1.92 -1.86 114.58 116.07 3ico h GLU 77 Ca -0.45 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 3ico h GLU 77 Cb 1.35 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 3ico h GLU 77 CO 0.55 0.12 0.00 -3.47 -1.18 0.00 0.00 179.01 175.03 3ico n ASP 78 N -5.21 0.98 -4.77 1.04 2.03 -1.26 -4.75 116.55 104.61 3ico n ASP 78 Ca 0.10 -1.88 -0.37 0.00 0.52 0.00 0.00 54.79 53.16 3ico n ASP 78 Cb 0.38 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.67 3ico n ASP 78 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3ico s ASP 79 N -1.16 5.90 0.33 1.67 -1.08 -0.70 -4.94 116.67 116.68 3ico s ASP 79 Ca 0.18 2.38 0.26 0.00 -0.52 0.00 0.00 52.55 54.85 3ico s ASP 79 Cb 0.09 -2.61 0.94 0.00 -1.46 0.00 0.00 42.92 39.88 3ico s ASP 79 CO 0.13 -1.11 1.77 0.44 0.52 0.00 0.00 175.17 176.92 3ico h ASP 80 N 1.77 0.00 0.66 -0.34 3.32 -1.90 -2.94 116.42 116.99 3ico h ASP 80 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3ico h ASP 80 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3ico h ASP 80 CO 0.59 0.00 0.00 -0.62 -1.72 0.00 0.00 179.24 177.49 3ico n GLU 81 N -2.53 0.06 -2.30 3.56 1.02 -1.26 -4.77 120.64 114.42 3ico n GLU 81 Ca 0.03 0.13 -0.42 0.00 -0.02 0.00 0.00 57.16 56.88 3ico n GLU 81 Cb 0.34 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.23 3ico n GLU 81 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3ico s ARG 82 N -2.91 4.34 0.33 3.49 1.81 -1.11 -4.65 118.95 120.24 3ico s ARG 82 Ca 0.12 1.89 0.03 0.00 -1.72 0.00 0.00 55.73 56.05 3ico s ARG 82 Cb 0.14 -3.45 0.57 0.00 -0.45 0.00 0.00 34.95 31.76 3ico s ARG 82 CO 0.37 -0.44 1.89 -0.91 -0.68 0.00 0.00 175.30 175.53 3ico h ASN 83 N 7.30 0.60 0.12 0.23 2.35 -1.89 -2.28 115.58 122.00 3ico h ASN 83 Ca -0.39 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.26 3ico h ASN 83 Cb 1.19 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.41 3ico h ASN 83 CO 0.87 0.60 -0.06 0.25 -1.65 0.00 0.00 177.43 177.44 3ico h LEU 84 N 0.63 -0.14 -0.68 1.61 5.85 -1.93 -0.85 115.31 119.81 3ico h LEU 84 Ca 0.14 -0.25 0.09 0.00 0.84 0.00 0.00 57.88 58.70 3ico h LEU 84 Cb 0.24 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 3ico h LEU 84 CO -0.00 0.18 0.32 0.50 -0.34 0.00 0.00 178.44 179.10 3ico h LYS 85 N -0.47 0.54 -0.25 1.25 3.64 -1.84 0.22 116.57 119.67 3ico h LYS 85 Ca -0.02 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3ico h LYS 85 Cb 0.38 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3ico h LYS 85 CO 0.03 0.35 0.12 1.96 -2.27 0.00 0.00 179.45 179.64 3ico h GLN 86 N 0.55 0.24 -0.38 1.90 1.08 -1.38 -1.60 115.11 115.53 3ico h GLN 86 Ca 0.33 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.55 3ico h GLN 86 Cb 0.36 -0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.70 3ico h GLN 86 CO -0.27 0.16 0.16 0.00 -0.95 0.00 0.00 178.83 177.94 3ico h ALA 87 N 1.13 0.46 0.02 3.87 0.00 -0.06 0.17 119.26 124.84 3ico h ALA 87 Ca 0.10 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3ico h ALA 87 Cb 0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3ico h ALA 87 CO -0.07 -0.21 -0.32 0.00 0.00 0.00 0.00 179.25 178.64 3ico h ARG 88 N 0.34 -0.47 -0.60 0.00 3.08 -0.44 0.20 114.38 116.49 3ico h ARG 88 Ca 0.17 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 3ico h ARG 88 Cb 0.11 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 3ico h ARG 88 CO -0.14 -0.31 0.37 0.00 -1.07 0.00 0.00 179.97 178.82 3ico h ARG 89 N -0.49 0.81 -0.12 0.04 3.08 -1.04 0.64 114.38 117.30 3ico h ARG 89 Ca 0.06 -0.07 -0.19 0.00 0.07 0.00 0.00 59.98 59.85 3ico h ARG 89 Cb 0.57 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 3ico h ARG 89 CO -0.25 0.57 -0.70 0.00 -1.07 0.00 0.00 179.97 178.52 3ico h ALA 90 N 1.19 0.56 0.00 0.04 0.00 -0.50 -3.45 119.26 117.10 3ico h ALA 90 Ca 0.22 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3ico h ALA 90 Cb -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3ico h ALA 90 CO -0.04 0.73 0.00 -0.11 0.00 0.00 0.00 179.25 179.83 3ico n LEU 91 N -3.89 -0.41 0.02 0.00 7.94 0.53 -4.14 117.00 117.06 3ico n LEU 91 Ca -0.05 0.38 0.03 0.00 -1.11 0.00 0.00 56.01 55.26 3ico n LEU 91 Cb 0.69 0.55 0.39 0.00 0.53 0.00 0.00 43.42 45.58 3ico n LEU 91 CO 0.49 -0.63 1.06 -0.07 -1.11 0.00 0.00 177.39 177.13 3ico h LEU 92 N 0.00 0.43 -2.05 -1.96 3.38 -0.67 0.73 115.31 115.17 3ico h LEU 92 Ca 0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3ico h LEU 92 Cb 0.00 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3ico h LEU 92 CO 0.00 0.40 -0.02 0.78 0.09 0.00 0.00 178.44 179.69 3ico h ASN 93 N 0.48 0.00 -0.02 -0.43 2.35 -1.12 -3.25 115.58 113.58 3ico h ASN 93 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 3ico h ASN 93 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 3ico h ASN 93 CO -0.01 0.02 -0.10 1.41 -1.65 0.00 0.00 177.43 177.10 3ico n HIS 94 N -3.16 0.00 -4.31 1.19 8.25 0.25 -5.01 115.22 112.42 3ico n HIS 94 Ca -0.01 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.28 3ico n HIS 94 Cb 0.22 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.23 3ico n HIS 94 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3ico s VAL 95 N -1.90 1.40 -0.34 1.59 -7.23 -1.22 -5.06 120.40 107.63 3ico s VAL 95 Ca 0.23 -2.12 -0.02 0.00 -1.81 0.00 0.00 61.98 58.26 3ico s VAL 95 Cb 0.17 -2.06 0.17 0.00 0.56 0.00 0.00 36.38 35.23 3ico s VAL 95 CO 0.33 -0.58 2.23 -0.90 -0.31 0.00 0.00 175.10 175.86 3ico n ASP 96 N -0.34 6.46 -4.71 4.85 5.75 -1.26 -4.94 116.55 122.35 3ico n ASP 96 Ca -0.08 -3.09 -0.42 0.00 -0.01 0.00 0.00 54.79 51.19 3ico n ASP 96 Cb 0.61 -1.11 -0.03 0.00 -1.03 0.00 0.00 41.12 39.56 3ico n ASP 96 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 3ico s ILE 97 N -2.23 4.58 0.30 2.12 2.07 -1.26 -4.20 121.20 122.58 3ico s ILE 97 Ca 0.38 1.90 -0.29 0.00 -1.41 0.00 0.00 60.65 61.23 3ico s ILE 97 Cb 0.28 -4.22 -0.10 0.00 0.13 0.00 0.00 42.46 38.55 3ico s ILE 97 CO -0.05 0.18 1.17 -2.84 -1.91 0.00 0.00 174.94 171.48 3ico s PRO 98 N 0.81 4.54 0.33 3.50 0.02 -1.26 -4.93 135.00 138.01 3ico s PRO 98 Ca 0.53 1.95 0.01 0.00 0.02 0.00 0.00 61.00 63.50 3ico s PRO 98 Cb -0.24 -3.15 0.55 0.00 0.02 0.00 0.00 34.50 31.68 3ico s PRO 98 CO 0.29 0.07 1.96 0.66 -0.33 0.00 0.00 177.00 179.65 3ico h SER 99 N 3.69 0.77 0.00 2.53 4.64 -1.95 -0.49 113.55 122.73 3ico h SER 99 Ca -0.47 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 3ico h SER 99 Cb 1.22 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3ico h SER 99 CO 0.66 0.61 0.00 -0.46 -0.87 0.00 0.00 176.83 176.77 3ico n ASN 100 N -4.40 0.00 -0.16 4.97 6.94 -1.26 -1.50 115.26 119.85 3ico n ASN 100 Ca 0.06 -0.58 0.04 0.00 -0.02 0.00 0.00 54.58 54.09 3ico n ASN 100 Cb 0.08 0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 37.49 3ico n ASN 100 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3ico n GLN 101 N -0.93 2.54 -3.78 -3.83 6.02 -0.20 -4.92 117.38 112.27 3ico n GLN 101 Ca 0.11 -0.46 -0.36 0.00 -0.01 0.00 0.00 57.00 56.28 3ico n GLN 101 Cb 0.05 -1.02 -0.10 0.00 1.02 0.00 0.00 30.24 30.19 3ico n GLN 101 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3ico s VAL 102 N -1.37 5.03 -0.56 5.09 1.01 -0.56 -1.11 120.40 127.93 3ico s VAL 102 Ca 0.07 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.15 3ico s VAL 102 Cb 0.07 -3.32 0.15 0.00 0.00 0.00 0.00 36.38 33.28 3ico s VAL 102 CO 0.25 0.38 0.36 -1.00 0.00 0.00 0.00 175.10 175.09 3ico s HIS 103 N 0.93 2.72 0.73 5.22 3.76 -0.61 -4.95 115.29 123.08 3ico s HIS 103 Ca 0.06 -2.92 -0.11 0.00 -0.15 0.00 0.00 55.06 51.93 3ico s HIS 103 Cb -0.13 -2.25 0.03 0.00 1.11 0.00 0.00 32.58 31.33 3ico s HIS 103 CO 0.03 -0.69 1.07 -2.14 -0.85 0.00 0.00 174.74 172.17 3ico s PRO 104 N -0.54 2.69 0.36 8.40 0.02 -1.26 -4.10 135.00 140.56 3ico s PRO 104 Ca 0.23 0.79 -0.05 0.00 0.02 0.00 0.00 61.00 61.99 3ico s PRO 104 Cb -0.12 -1.97 -0.05 0.00 0.02 0.00 0.00 34.50 32.37 3ico s PRO 104 CO -0.10 -1.23 0.64 -1.64 -0.33 0.00 0.00 177.00 174.34 3ico s MET 105 N -5.12 3.62 0.71 5.54 -1.94 -1.26 -5.00 119.30 115.85 3ico s MET 105 Ca 0.59 0.08 -0.14 0.00 -1.71 0.00 0.00 55.69 54.51 3ico s MET 105 Cb -0.14 -2.55 0.03 0.00 2.01 0.00 0.00 34.83 34.18 3ico s MET 105 CO 0.54 0.08 1.14 0.00 -0.01 0.00 0.00 175.02 176.77 3ico s ALA 106 N -2.29 2.28 0.53 3.03 0.00 -1.26 -5.04 121.76 119.00 3ico s ALA 106 Ca 0.45 0.62 0.05 0.00 0.00 0.00 0.00 51.96 53.09 3ico s ALA 106 Cb -0.10 -3.37 0.05 0.00 0.00 0.00 0.00 23.12 19.69 3ico s ALA 106 CO 0.34 -1.60 0.73 0.00 0.00 0.00 0.00 175.76 175.23 3ico s ALA 107 N -2.30 4.26 -0.96 0.00 0.00 -1.26 -4.77 121.76 116.72 3ico s ALA 107 Ca 0.69 -1.65 0.28 0.00 0.00 0.00 0.00 51.96 51.27 3ico s ALA 107 Cb -0.23 -1.79 0.99 0.00 0.00 0.00 0.00 23.12 22.10 3ico s ALA 107 CO 0.45 -0.68 1.77 -1.13 0.00 0.00 0.00 175.76 176.17 3ico n SER 108 N -2.20 0.21 -0.52 0.00 3.41 -0.38 -3.79 113.62 110.35 3ico n SER 108 Ca 0.10 0.31 0.06 0.00 -0.26 0.00 0.00 58.87 59.09 3ico n SER 108 Cb 0.60 -0.32 0.19 0.00 -0.26 0.00 0.00 64.21 64.42 3ico n SER 108 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3ico n ASP 109 N -1.58 2.30 0.00 4.04 5.75 -1.26 -4.13 116.55 121.66 3ico n ASP 109 Ca 0.06 -3.49 0.00 0.00 -0.01 0.00 0.00 54.79 51.36 3ico n ASP 109 Cb 0.35 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 3ico n ASP 109 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ico n GLY 110 N -1.17 2.96 0.00 6.12 0.00 -1.25 -4.91 105.19 106.94 3ico n GLY 110 Ca 0.20 -1.83 0.02 0.00 0.00 0.00 0.00 46.02 44.42 3ico n GLY 110 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ico n ASP 111 N 0.00 0.00 -0.07 1.61 8.00 -1.26 -2.14 116.55 122.69 3ico n ASP 111 Ca 0.00 0.17 0.03 0.00 0.71 0.00 0.00 54.79 55.70 3ico n ASP 111 Cb 0.00 -0.25 -0.02 0.00 -0.02 0.00 0.00 41.12 40.83 3ico n ASP 111 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3ico n PHE 112 N -1.25 0.00 -0.47 1.24 3.01 -1.26 -5.07 117.46 113.66 3ico n PHE 112 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 3ico n PHE 112 Cb 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.51 3ico n PHE 112 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3ico n GLY 113 N 0.95 2.93 0.13 1.37 0.00 -0.91 -0.39 105.19 109.27 3ico n GLY 113 Ca 0.02 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.00 3ico n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ico n GLY 114 N 0.00 -0.69 2.85 -0.02 0.00 -1.26 -4.52 105.19 101.55 3ico n GLY 114 Ca 0.00 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 3ico n GLY 114 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ico n ASP 115 N -0.43 4.35 -0.29 1.61 -0.08 0.48 -4.76 116.55 117.43 3ico n ASP 115 Ca 0.09 -2.93 0.05 0.00 -1.51 0.00 0.00 54.79 50.49 3ico n ASP 115 Cb 0.10 -1.61 0.14 0.00 2.34 0.00 0.00 41.12 42.08 3ico n ASP 115 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 3ico h LEU 116 N 9.53 -0.64 -0.40 -2.67 5.85 -1.83 -0.42 115.31 124.73 3ico h LEU 116 Ca 0.50 0.24 -0.01 0.00 0.84 0.00 0.00 57.88 59.45 3ico h LEU 116 Cb 0.66 0.47 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 3ico h LEU 116 CO 1.76 -0.26 0.21 0.44 -0.34 0.00 0.00 178.44 180.25 3ico h ASP 117 N 0.02 0.51 -0.06 1.25 3.32 -1.98 0.47 116.42 119.95 3ico h ASP 117 Ca 0.42 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.28 3ico h ASP 117 Cb 0.70 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 3ico h ASP 117 CO -0.82 0.47 -0.20 0.00 -1.72 0.00 0.00 179.24 176.98 3ico h ALA 118 N 1.06 1.20 -0.44 3.45 0.00 -1.86 -1.57 119.26 121.10 3ico h ALA 118 Ca 0.14 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 3ico h ALA 118 Cb 0.09 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3ico h ALA 118 CO -0.02 0.51 -0.14 0.00 0.00 0.00 0.00 179.25 179.61 3ico h ALA 119 N 1.39 0.93 -0.55 0.00 0.00 -0.25 -0.67 119.26 120.10 3ico h ALA 119 Ca 0.07 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 3ico h ALA 119 Cb 0.58 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3ico h ALA 119 CO 0.04 0.62 -0.09 0.00 0.00 0.00 0.00 179.25 179.82 3ico h ALA 120 N 1.11 0.75 -0.27 0.00 0.00 -0.67 -2.36 119.26 117.83 3ico h ALA 120 Ca 0.12 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 3ico h ALA 120 Cb 0.64 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3ico h ALA 120 CO 0.04 0.66 -0.35 1.25 0.00 0.00 0.00 179.25 180.86 3ico h LEU 121 N 0.92 0.61 -1.40 0.00 5.85 -1.15 -2.41 115.31 117.74 3ico h LEU 121 Ca 0.14 -0.25 -0.06 0.00 0.84 0.00 0.00 57.88 58.55 3ico h LEU 121 Cb 0.66 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3ico h LEU 121 CO 0.05 0.91 -0.25 0.00 -0.34 0.00 0.00 178.44 178.80 3ico h ALA 122 N 1.13 1.50 -0.07 1.25 0.00 -1.03 -2.16 119.26 119.88 3ico h ALA 122 Ca 0.05 -0.25 -0.20 0.00 0.00 0.00 0.00 54.91 54.51 3ico h ALA 122 Cb 0.84 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3ico h ALA 122 CO 0.07 0.37 -0.77 -0.92 0.00 0.00 0.00 179.25 178.00 3ico h TYR 123 N 0.07 0.62 0.00 0.00 3.20 -0.96 -2.06 116.97 117.83 3ico h TYR 123 Ca 0.01 -0.28 0.00 0.00 3.14 0.00 0.00 58.73 61.60 3ico h TYR 123 Cb 0.49 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.67 3ico h TYR 123 CO 0.00 1.06 0.00 1.05 -1.64 0.00 0.00 178.16 178.63 3ico h GLU 124 N 0.30 0.00 0.02 1.82 4.11 -1.22 -1.23 114.58 118.38 3ico h GLU 124 Ca -0.04 0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.14 3ico h GLU 124 Cb 1.36 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.62 3ico h GLU 124 CO 0.14 0.00 -1.02 1.96 0.07 0.00 0.00 179.01 180.15 3ico h GLN 125 N 0.00 0.50 -0.21 1.06 1.08 -1.29 -2.17 115.11 114.08 3ico h GLN 125 Ca 0.00 -0.57 0.01 0.00 -1.45 0.00 0.00 58.65 56.64 3ico h GLN 125 Cb 0.52 0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 28.11 3ico h GLN 125 CO 0.00 1.20 0.11 0.28 -0.95 0.00 0.00 178.83 179.47 3ico h VAL 126 N 0.27 1.01 -0.71 -0.54 2.07 -0.83 -0.66 116.25 116.86 3ico h VAL 126 Ca -0.11 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 3ico h VAL 126 Cb 1.67 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 3ico h VAL 126 CO 0.19 0.04 0.37 -0.07 0.02 0.00 0.00 177.57 178.12 3ico h LEU 127 N 0.24 0.90 -1.25 2.57 3.38 -1.29 -2.11 115.31 117.74 3ico h LEU 127 Ca 0.08 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3ico h LEU 127 Cb 0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3ico h LEU 127 CO -0.05 0.76 -0.02 0.00 0.09 0.00 0.00 178.44 179.21 3ico h ALA 128 N 1.18 1.39 -0.34 1.53 0.00 -1.13 -1.29 119.26 120.60 3ico h ALA 128 Ca 0.25 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 3ico h ALA 128 Cb 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3ico h ALA 128 CO -0.04 0.43 -0.28 0.00 0.00 0.00 0.00 179.25 179.36 3ico h ALA 129 N 1.52 0.49 0.00 0.00 0.00 -0.90 -3.01 119.26 117.36 3ico h ALA 129 Ca 0.10 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3ico h ALA 129 Cb 0.34 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3ico h ALA 129 CO 0.01 0.50 0.00 0.43 0.00 0.00 0.00 179.25 180.19 3ico n SER 130 N -4.22 0.08 -4.84 0.00 7.64 -0.81 -4.87 113.62 106.59 3ico n SER 130 Ca -0.03 0.52 -0.32 0.00 1.01 0.00 0.00 58.87 60.05 3ico n SER 130 Cb 0.47 -0.54 -0.03 0.00 -1.01 0.00 0.00 64.21 63.10 3ico n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ico s ALA 131 N -3.03 3.08 0.60 -0.43 0.00 -0.51 -4.59 121.76 116.89 3ico s ALA 131 Ca 0.08 0.15 -0.19 0.00 0.00 0.00 0.00 51.96 52.00 3ico s ALA 131 Cb 0.11 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 3ico s ALA 131 CO 0.32 -0.23 1.06 0.00 0.00 0.00 0.00 175.76 176.91 3ico n ALA 132 N -1.59 0.48 -1.66 0.00 0.00 -1.26 -4.83 120.51 111.64 3ico n ALA 132 Ca 0.06 0.02 -0.48 0.00 0.00 0.00 0.00 53.44 53.04 3ico n ALA 132 Cb 0.54 -2.17 -0.05 0.00 0.00 0.00 0.00 19.45 17.77 3ico n ALA 132 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3ico n PRO 133 N -1.15 1.92 0.00 0.00 -0.04 -1.26 -1.73 135.00 132.73 3ico n PRO 133 Ca 0.14 0.69 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 3ico n PRO 133 Cb 0.47 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 3ico n PRO 133 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ico n GLY 134 N 3.40 0.73 3.93 0.55 0.00 -1.26 -5.08 105.19 107.46 3ico n GLY 134 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 3ico n GLY 134 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ico s ASP 135 N -1.80 6.35 0.44 1.61 1.01 -0.71 -5.02 116.67 118.55 3ico s ASP 135 Ca 0.00 0.23 0.24 0.00 0.71 0.00 0.00 52.55 53.72 3ico s ASP 135 Cb 0.00 -1.94 0.56 0.00 1.01 0.00 0.00 42.92 42.56 3ico s ASP 135 CO 0.00 0.09 1.68 1.55 0.21 0.00 0.00 175.17 178.71 3ico h PRO 136 N 2.51 0.00 -3.01 8.23 0.13 -1.92 -3.45 132.00 134.49 3ico h PRO 136 Ca -0.47 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.69 3ico h PRO 136 Cb 1.18 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.23 3ico h PRO 136 CO 0.72 0.11 0.22 0.00 -0.23 0.00 0.00 178.00 178.81 3ico s ALA 137 N -3.31 -1.35 0.77 -0.56 0.00 -1.26 -3.22 121.76 112.82 3ico s ALA 137 Ca 0.05 -0.01 -0.12 0.00 0.00 0.00 0.00 51.96 51.87 3ico s ALA 137 Cb 0.07 0.87 0.06 0.00 0.00 0.00 0.00 23.12 24.11 3ico s ALA 137 CO 0.65 -0.94 1.12 -2.14 0.00 0.00 0.00 175.76 174.46 3ico s PRO 138 N -3.86 2.13 -1.03 0.00 0.02 -1.25 -4.57 135.00 126.44 3ico s PRO 138 Ca 0.07 1.38 -0.20 0.00 0.02 0.00 0.00 61.00 62.28 3ico s PRO 138 Cb -0.04 -1.87 0.10 0.00 0.02 0.00 0.00 34.50 32.71 3ico s PRO 138 CO -0.01 -1.77 1.34 -0.80 -0.33 0.00 0.00 177.00 175.43 3ico s ASN 139 N -2.86 6.65 0.61 2.53 0.01 -1.26 -4.82 114.94 115.80 3ico s ASN 139 Ca 0.66 -1.96 -0.19 0.00 -0.71 0.00 0.00 52.86 50.65 3ico s ASN 139 Cb -0.21 -2.48 -0.03 0.00 0.41 0.00 0.00 41.25 38.95 3ico s ASN 139 CO 0.51 -1.21 1.31 0.49 -1.51 0.00 0.00 177.10 176.70 3ico n PHE 140 N 7.49 2.05 -0.04 2.20 3.72 -1.26 -4.76 117.46 126.86 3ico n PHE 140 Ca 0.31 0.42 -0.17 0.00 -0.05 0.00 0.00 57.45 57.96 3ico n PHE 140 Cb 0.49 -2.30 -0.13 0.00 -0.94 0.00 0.00 39.48 36.60 3ico n PHE 140 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3ico h ASP 141 N 0.87 0.13 -3.41 4.37 3.32 -1.09 0.13 116.42 120.74 3ico h ASP 141 Ca -0.51 -0.89 -0.35 0.00 0.02 0.00 0.00 57.03 55.30 3ico h ASP 141 Cb 1.33 -0.04 -0.36 0.00 0.22 0.00 0.00 39.33 40.47 3ico h ASP 141 CO 0.54 1.23 -0.74 -0.69 -1.72 0.00 0.00 179.24 177.86 3ico s VAL 142 N -2.31 0.07 -0.31 -1.35 1.01 -1.13 -1.96 120.40 114.42 3ico s VAL 142 Ca -0.20 0.22 -0.10 0.00 0.00 0.00 0.00 61.98 61.90 3ico s VAL 142 Cb 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 36.38 36.13 3ico s VAL 142 CO 0.71 0.16 0.17 -2.28 0.00 0.00 0.00 175.10 173.86 3ico s HIS 143 N 1.51 3.19 0.30 5.22 2.46 -0.07 -0.80 115.29 127.10 3ico s HIS 143 Ca -0.03 -0.32 -0.19 0.00 0.47 0.00 0.00 55.06 54.98 3ico s HIS 143 Cb -0.13 -2.38 -0.09 0.00 -0.13 0.00 0.00 32.58 29.85 3ico s HIS 143 CO -0.03 -0.36 0.79 -0.51 -2.47 0.00 0.00 174.74 172.16 3ico s LEU 144 N 1.67 4.19 -0.06 8.88 1.43 -0.22 -1.24 118.68 133.34 3ico s LEU 144 Ca 0.06 1.47 -0.12 0.00 -1.03 0.00 0.00 54.13 54.51 3ico s LEU 144 Cb -0.17 -3.94 0.02 0.00 0.03 0.00 0.00 46.19 42.13 3ico s LEU 144 CO 0.08 -0.12 0.28 -0.76 0.23 0.00 0.00 176.35 176.07 3ico s LEU 145 N -2.49 0.95 0.46 1.79 1.43 0.14 -4.33 118.68 116.63 3ico s LEU 145 Ca 0.50 0.30 0.07 0.00 -1.03 0.00 0.00 54.13 53.97 3ico s LEU 145 Cb -0.14 1.07 0.02 0.00 0.03 0.00 0.00 46.19 47.18 3ico s LEU 145 CO 0.19 -0.27 0.63 -0.83 0.23 0.00 0.00 176.35 176.31 3ico s GLY 146 N -0.60 1.91 0.01 -3.19 0.00 -1.26 -1.29 107.32 102.90 3ico s GLY 146 Ca -0.07 -1.64 0.03 0.00 0.00 0.00 0.00 44.72 43.03 3ico s GLY 146 CO 0.02 -1.41 -0.08 -0.29 0.00 0.00 0.00 173.10 171.34 3ico s MET 147 N -4.47 0.61 0.56 2.90 1.75 -1.26 -4.48 119.30 114.91 3ico s MET 147 Ca 0.56 -0.42 0.02 0.00 -1.25 0.00 0.00 55.69 54.60 3ico s MET 147 Cb -0.10 -0.55 0.05 0.00 2.84 0.00 0.00 34.83 37.07 3ico s MET 147 CO 0.35 0.14 0.79 0.20 -0.65 0.00 0.00 175.02 175.85 3ico s GLY 148 N -0.59 1.83 0.14 2.11 0.00 -0.44 -4.93 107.32 105.44 3ico s GLY 148 Ca -0.00 -1.44 0.13 0.00 0.00 0.00 0.00 44.72 43.41 3ico s GLY 148 CO 0.00 -1.12 1.41 -1.55 0.00 0.00 0.00 173.10 171.84 3ico n PRO 149 N -2.37 0.07 -0.16 2.90 -0.04 -1.26 -0.20 135.00 133.95 3ico n PRO 149 Ca 0.09 0.48 0.11 0.00 -0.04 0.00 0.00 63.50 64.13 3ico n PRO 149 Cb 0.60 -1.70 0.18 0.00 -0.04 0.00 0.00 33.50 32.54 3ico n PRO 149 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3ico n GLU 150 N -1.85 2.32 -0.37 0.54 0.00 -1.26 -4.47 120.64 115.54 3ico n GLU 150 Ca 0.01 -2.12 0.00 0.00 0.00 0.00 0.00 57.16 55.04 3ico n GLU 150 Cb 0.08 -1.45 0.00 0.00 0.00 0.00 0.00 31.44 30.07 3ico n GLU 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3ico n GLY 151 N 1.29 0.72 3.76 -1.84 0.00 0.72 -4.58 105.19 105.26 3ico n GLY 151 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3ico n GLY 151 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3ico s HIS 152 N -2.56 3.05 0.17 1.61 -3.43 -1.26 -0.40 115.29 112.47 3ico s HIS 152 Ca 0.00 1.30 0.08 0.00 -0.80 0.00 0.00 55.06 55.64 3ico s HIS 152 Cb 0.00 -3.71 -0.04 0.00 -1.43 0.00 0.00 32.58 27.40 3ico s HIS 152 CO 0.00 -2.07 -0.17 0.96 -2.00 0.00 0.00 174.74 171.46 3ico s ILE 153 N -0.75 1.73 0.00 -5.38 -0.00 -1.18 -1.32 121.20 114.29 3ico s ILE 153 Ca 0.52 -1.97 0.00 0.00 -0.00 0.00 0.00 60.65 59.20 3ico s ILE 153 Cb -0.40 -1.85 0.00 0.00 -0.00 0.00 0.00 42.46 40.21 3ico s ILE 153 CO 0.49 -0.41 0.00 0.59 -0.00 0.00 0.00 174.94 175.62 3ico n ASN 154 N 0.14 0.00 -1.96 4.36 3.02 -1.26 -0.51 115.26 119.06 3ico n ASN 154 Ca -0.12 0.00 -0.15 0.00 -0.03 0.00 0.00 54.58 54.28 3ico n ASN 154 Cb 0.58 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.80 3ico n ASN 154 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3ico n SER 155 N 4.61 3.83 -4.49 6.41 7.64 -1.26 -4.95 113.62 125.41 3ico n SER 155 Ca 0.00 -3.43 -0.43 0.00 1.01 0.00 0.00 58.87 56.03 3ico n SER 155 Cb 0.00 -0.39 -0.09 0.00 -1.01 0.00 0.00 64.21 62.72 3ico n SER 155 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3ico s LEU 156 N -3.47 4.83 0.28 -3.43 1.43 0.34 -4.94 118.68 113.71 3ico s LEU 156 Ca 0.45 -0.63 0.06 0.00 -1.03 0.00 0.00 54.13 52.98 3ico s LEU 156 Cb 0.39 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 3ico s LEU 156 CO 0.01 -0.51 0.31 -0.36 0.23 0.00 0.00 176.35 176.03 3ico s PHE 157 N 2.02 3.19 0.31 0.29 0.08 -1.26 -3.09 117.98 119.52 3ico s PHE 157 Ca 0.11 -0.13 -0.29 0.00 0.12 0.00 0.00 56.93 56.74 3ico s PHE 157 Cb -0.17 -1.63 -0.13 0.00 -0.57 0.00 0.00 43.02 40.52 3ico s PHE 157 CO 0.12 0.35 1.20 -2.30 -0.10 0.00 0.00 175.22 174.49 3ico n PRO 158 N -1.37 1.82 -0.39 0.24 -0.02 -1.26 -2.31 135.00 131.70 3ico n PRO 158 Ca -0.06 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 3ico n PRO 158 Cb 0.58 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 3ico n PRO 158 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3ico n HIS 159 N 0.52 0.00 -2.11 6.00 8.25 0.01 -4.96 115.22 122.93 3ico n HIS 159 Ca 0.08 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.19 3ico n HIS 159 Cb 0.34 -0.64 0.01 0.00 1.12 0.00 0.00 29.99 30.82 3ico n HIS 159 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3ico s SER 160 N -2.73 5.56 0.42 0.41 1.04 -0.98 -4.93 113.70 112.49 3ico s SER 160 Ca 0.00 2.10 0.12 0.00 0.48 0.00 0.00 55.95 58.65 3ico s SER 160 Cb 0.00 -2.57 0.89 0.00 0.10 0.00 0.00 66.02 64.44 3ico s SER 160 CO 0.00 -1.33 1.96 -0.65 0.98 0.00 0.00 173.24 174.20 3ico h PRO 161 N 0.84 0.15 -0.13 4.02 0.11 -1.93 -3.00 132.00 132.06 3ico h PRO 161 Ca -0.49 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.64 3ico h PRO 161 Cb 1.25 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.28 3ico h PRO 161 CO 0.56 0.29 -0.27 0.00 -0.21 0.00 0.00 178.00 178.36 3ico h ALA 162 N 1.73 -0.28 0.00 -0.75 0.00 -1.91 0.02 119.26 118.07 3ico h ALA 162 Ca 0.03 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3ico h ALA 162 Cb 0.32 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 3ico h ALA 162 CO 0.02 -0.74 -0.08 -0.24 0.00 0.00 0.00 179.25 178.21 3ico h VAL 163 N -0.34 0.29 0.00 0.00 3.04 -1.75 -2.70 116.25 114.80 3ico h VAL 163 Ca 0.10 -0.51 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 3ico h VAL 163 Cb 0.50 1.39 0.00 0.00 -2.01 0.00 0.00 31.29 31.17 3ico h VAL 163 CO -0.33 0.08 -0.63 -0.07 -1.01 0.00 0.00 177.57 175.61 3ico h LEU 164 N 0.00 0.00 -9.30 3.16 -0.00 -1.27 -3.45 115.31 104.46 3ico h LEU 164 Ca -0.00 -0.18 -0.66 0.00 -0.00 0.00 0.00 57.88 57.04 3ico h LEU 164 Cb 0.38 0.00 0.04 0.00 -0.00 0.00 0.00 40.66 41.08 3ico h LEU 164 CO 0.01 0.09 0.76 1.21 -0.00 0.00 0.00 178.44 180.51 3ico n GLU 165 N -2.19 1.56 0.00 1.13 4.07 -0.07 -4.88 120.64 120.26 3ico n GLU 165 Ca 0.03 0.57 0.00 0.00 -0.06 0.00 0.00 57.16 57.70 3ico n GLU 165 Cb 0.45 -2.29 0.00 0.00 -0.06 0.00 0.00 31.44 29.55 3ico n GLU 165 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 3ico n SER 166 N 4.16 1.21 0.00 4.31 3.41 -1.26 -4.51 113.62 120.94 3ico n SER 166 Ca 0.21 -1.29 0.00 0.00 -0.26 0.00 0.00 58.87 57.53 3ico n SER 166 Cb 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 3ico n SER 166 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3ico n THR 167 N -0.15 0.00 -2.92 6.66 -1.04 -1.26 -4.93 114.28 110.64 3ico n THR 167 Ca 0.00 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.67 3ico n THR 167 Cb 0.10 -0.52 -0.07 0.00 -1.82 0.00 0.00 70.33 68.02 3ico n THR 167 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3ico s ARG 168 N -1.92 4.22 0.08 -2.82 0.52 -1.26 -4.97 118.95 112.79 3ico s ARG 168 Ca 0.00 1.01 0.10 0.00 -0.52 0.00 0.00 55.73 56.32 3ico s ARG 168 Cb 0.00 -2.39 -0.20 0.00 0.52 0.00 0.00 34.95 32.88 3ico s ARG 168 CO 0.00 0.10 1.08 0.52 0.02 0.00 0.00 175.30 177.02 3ico h MET 169 N 2.31 0.00 -3.98 3.54 2.86 -1.95 -3.43 114.93 114.28 3ico h MET 169 Ca -0.48 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 56.80 3ico h MET 169 Cb 1.18 0.00 -0.32 0.00 0.06 0.00 0.00 31.60 32.52 3ico h MET 169 CO 0.63 0.79 -0.76 0.08 1.06 0.00 0.00 176.91 178.71 3ico s VAL 170 N -2.70 0.35 0.18 -2.22 1.01 -1.26 -1.09 120.40 114.67 3ico s VAL 170 Ca -0.01 -0.07 0.06 0.00 0.00 0.00 0.00 61.98 61.96 3ico s VAL 170 Cb 0.09 -0.37 -0.05 0.00 0.00 0.00 0.00 36.38 36.05 3ico s VAL 170 CO 0.82 0.16 -0.10 0.68 0.00 0.00 0.00 175.10 176.65 3ico s VAL 171 N 0.63 1.37 0.14 2.92 -7.23 -0.38 -4.79 120.40 113.06 3ico s VAL 171 Ca -0.07 -2.11 -0.16 0.00 -1.81 0.00 0.00 61.98 57.82 3ico s VAL 171 Cb -0.10 -2.01 -0.07 0.00 0.56 0.00 0.00 36.38 34.76 3ico s VAL 171 CO -0.01 -0.62 0.57 0.00 -0.31 0.00 0.00 175.10 174.74 3ico s ALA 172 N -3.20 3.56 -0.17 1.32 0.00 -1.26 -1.54 121.76 120.47 3ico s ALA 172 Ca 0.21 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.12 3ico s ALA 172 Cb 0.02 -2.59 0.03 0.00 0.00 0.00 0.00 23.12 20.58 3ico s ALA 172 CO 0.04 0.42 -0.14 0.08 0.00 0.00 0.00 175.76 176.17 3ico s VAL 173 N -1.38 1.69 -1.99 0.00 1.01 0.14 -4.97 120.40 114.91 3ico s VAL 173 Ca 0.36 -0.81 0.18 0.00 0.00 0.00 0.00 61.98 61.71 3ico s VAL 173 Cb -0.16 -1.63 0.31 0.00 0.00 0.00 0.00 36.38 34.89 3ico s VAL 173 CO 0.19 0.38 1.24 -0.90 0.00 0.00 0.00 175.10 176.01 3ico n ASP 174 N 4.71 2.99 -1.33 3.32 3.85 -1.26 -0.32 116.55 128.51 3ico n ASP 174 Ca -0.17 -1.87 0.04 0.00 -0.71 0.00 0.00 54.79 52.08 3ico n ASP 174 Cb 0.49 -0.17 0.05 0.00 -1.35 0.00 0.00 41.12 40.14 3ico n ASP 174 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 3ico n ASP 175 N 1.11 1.07 -4.66 -1.12 5.75 -1.09 -4.58 116.55 113.04 3ico n ASP 175 Ca 0.15 -2.27 -0.47 0.00 -0.01 0.00 0.00 54.79 52.19 3ico n ASP 175 Cb 0.50 -0.33 -0.04 0.00 -1.03 0.00 0.00 41.12 40.22 3ico n ASP 175 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 3ico n SER 176 N 0.25 2.85 0.29 -1.12 2.88 -0.33 -4.82 113.62 113.62 3ico n SER 176 Ca 0.08 1.09 0.18 0.00 -1.33 0.00 0.00 58.87 58.89 3ico n SER 176 Cb 1.07 -1.39 0.79 0.00 -0.75 0.00 0.00 64.21 63.93 3ico n SER 176 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3ico h PRO 177 N 5.69 0.00 -5.17 -1.46 0.13 -1.92 -3.42 132.00 125.85 3ico h PRO 177 Ca -0.45 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.05 3ico h PRO 177 Cb 1.27 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.22 3ico h PRO 177 CO 0.87 0.01 -0.58 0.21 -0.23 0.00 0.00 178.00 178.28 3ico s LYS 178 N -3.77 3.89 0.55 0.86 2.20 -1.26 -5.07 119.74 117.14 3ico s LYS 178 Ca -0.00 -0.38 -0.20 0.00 -0.36 0.00 0.00 55.97 55.03 3ico s LYS 178 Cb 0.10 -3.27 -0.05 0.00 -1.51 0.00 0.00 37.83 33.10 3ico s LYS 178 CO 0.52 0.12 1.24 -1.25 -0.36 0.00 0.00 175.35 175.61 3ico s PRO 179 N 0.80 3.19 0.55 4.03 0.04 -1.26 -4.32 135.00 138.02 3ico s PRO 179 Ca 0.04 1.92 -0.16 0.00 0.04 0.00 0.00 61.00 62.83 3ico s PRO 179 Cb -0.13 -2.12 -0.06 0.00 0.04 0.00 0.00 34.50 32.23 3ico s PRO 179 CO 0.02 -1.06 1.02 -1.25 0.04 0.00 0.00 177.00 175.78 3ico s PRO 180 N -3.08 3.65 0.43 0.56 0.04 -1.26 -5.09 135.00 130.24 3ico s PRO 180 Ca 0.73 1.09 0.21 0.00 0.04 0.00 0.00 61.00 63.07 3ico s PRO 180 Cb -0.32 -2.09 0.94 0.00 0.04 0.00 0.00 34.50 33.07 3ico s PRO 180 CO 0.37 -0.53 1.86 -1.00 0.04 0.00 0.00 177.00 177.73 3ico h PRO 181 N 0.72 0.00 -5.38 0.56 0.13 -1.80 -3.44 132.00 122.80 3ico h PRO 181 Ca -0.47 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.06 3ico h PRO 181 Cb 1.20 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.22 3ico h PRO 181 CO 0.59 0.28 -0.38 1.03 -0.23 0.00 0.00 178.00 179.29 3ico s ARG 182 N -3.86 4.21 0.06 0.86 0.52 -1.26 -1.18 118.95 118.29 3ico s ARG 182 Ca -0.01 -0.02 -0.07 0.00 -0.52 0.00 0.00 55.73 55.10 3ico s ARG 182 Cb 0.12 -3.45 -0.01 0.00 0.52 0.00 0.00 34.95 32.14 3ico s ARG 182 CO 0.65 0.21 0.15 1.03 0.02 0.00 0.00 175.30 177.36 3ico s ARG 183 N 0.58 0.71 -0.08 3.54 3.00 0.57 -1.38 118.95 125.88 3ico s ARG 183 Ca 0.13 -0.82 -0.00 0.00 0.00 0.00 0.00 55.73 55.04 3ico s ARG 183 Cb -0.13 0.28 -0.03 0.00 0.00 0.00 0.00 34.95 35.08 3ico s ARG 183 CO 0.03 -0.20 -0.06 0.42 0.00 0.00 0.00 175.30 175.48 3ico s ILE 184 N -3.13 3.75 -0.08 1.52 1.01 -0.75 0.27 121.20 123.78 3ico s ILE 184 Ca -0.01 -0.45 -0.11 0.00 0.00 0.00 0.00 60.65 60.08 3ico s ILE 184 Cb 0.02 -2.55 0.03 0.00 0.01 0.00 0.00 42.46 39.96 3ico s ILE 184 CO -0.07 0.58 0.29 0.28 0.00 0.00 0.00 174.94 176.02 3ico s THR 185 N -0.60 0.02 0.60 2.92 -1.32 -0.59 -0.98 115.64 115.68 3ico s THR 185 Ca 0.09 -0.17 -0.17 0.00 -1.21 0.00 0.00 61.69 60.23 3ico s THR 185 Cb -0.12 -0.47 -0.03 0.00 -1.51 0.00 0.00 72.50 70.38 3ico s THR 185 CO 0.02 -0.09 1.12 -0.76 -2.21 0.00 0.00 174.62 172.70 3ico s LEU 186 N -0.33 3.58 0.50 9.08 1.43 0.23 -1.25 118.68 131.93 3ico s LEU 186 Ca -0.04 2.10 0.09 0.00 -1.03 0.00 0.00 54.13 55.25 3ico s LEU 186 Cb -0.03 -4.57 0.05 0.00 0.03 0.00 0.00 46.19 41.67 3ico s LEU 186 CO 0.01 -1.42 0.66 0.42 0.23 0.00 0.00 176.35 176.25 3ico s THR 187 N -2.02 2.50 0.21 5.49 -4.23 -0.25 -4.75 115.64 112.58 3ico s THR 187 Ca 0.70 -1.04 -0.10 0.00 -1.18 0.00 0.00 61.69 60.07 3ico s THR 187 Cb -0.23 -2.55 0.14 0.00 1.34 0.00 0.00 72.50 71.20 3ico s THR 187 CO 0.34 0.00 1.80 -0.07 -0.54 0.00 0.00 174.62 176.15 3ico h LEU 188 N 0.44 0.53 -1.46 4.79 3.38 -1.84 -0.50 115.31 120.65 3ico h LEU 188 Ca -0.35 0.03 0.05 0.00 0.09 0.00 0.00 57.88 57.70 3ico h LEU 188 Cb 1.28 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 3ico h LEU 188 CO 0.44 0.34 0.41 -0.65 0.09 0.00 0.00 178.44 179.08 3ico h PRO 189 N 0.66 0.66 -0.19 1.13 0.11 -1.86 0.25 132.00 132.76 3ico h PRO 189 Ca 0.29 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.32 3ico h PRO 189 Cb 0.18 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 3ico h PRO 189 CO -0.18 0.44 -0.04 0.00 -0.21 0.00 0.00 178.00 178.01 3ico h ALA 190 N 1.65 0.26 -0.86 -0.75 0.00 -1.58 -2.65 119.26 115.33 3ico h ALA 190 Ca 0.26 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3ico h ALA 190 Cb 0.16 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3ico h ALA 190 CO -0.07 0.03 0.56 0.82 0.00 0.00 0.00 179.25 180.58 3ico h ILE 191 N 0.09 1.18 0.00 0.00 2.04 -0.64 -2.56 117.51 117.61 3ico h ILE 191 Ca 0.05 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3ico h ILE 191 Cb 0.47 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 3ico h ILE 191 CO 0.02 0.20 0.00 0.00 0.00 0.00 0.00 178.15 178.37 3ico n GLN 192 N -4.52 0.06 0.23 2.37 6.02 0.82 -1.94 117.38 120.42 3ico n GLN 192 Ca 0.10 0.12 0.12 0.00 -0.01 0.00 0.00 57.00 57.33 3ico n GLN 192 Cb 0.05 -1.50 0.43 0.00 1.02 0.00 0.00 30.24 30.24 3ico n GLN 192 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ico h ARG 193 N 0.00 0.00 -6.84 -1.09 3.08 -1.10 -3.36 114.38 105.07 3ico h ARG 193 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 3ico h ARG 193 Cb 0.34 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.43 3ico h ARG 193 CO 0.00 0.15 0.59 -1.12 -1.07 0.00 0.00 179.97 178.52 3ico s SER 194 N -6.08 6.94 0.23 7.04 0.01 -0.82 -4.10 113.70 116.94 3ico s SER 194 Ca 0.02 2.53 -0.06 0.00 1.31 0.00 0.00 55.95 59.75 3ico s SER 194 Cb 0.09 -2.64 0.33 0.00 0.21 0.00 0.00 66.02 64.00 3ico s SER 194 CO 0.63 -0.41 1.82 0.03 0.41 0.00 0.00 173.24 175.72 3ico h ARG 195 N 3.72 0.78 -4.41 12.44 3.08 -0.82 0.79 114.38 129.94 3ico h ARG 195 Ca -0.48 -0.05 -0.32 0.00 0.07 0.00 0.00 59.98 59.20 3ico h ARG 195 Cb 1.22 -0.18 -0.27 0.00 0.08 0.00 0.00 29.97 30.83 3ico h ARG 195 CO 0.67 0.51 -0.75 -1.21 -1.07 0.00 0.00 179.97 178.12 3ico s GLU 196 N -6.06 0.48 -0.09 0.04 2.02 -0.83 -0.59 118.70 113.67 3ico s GLU 196 Ca -0.13 -0.33 0.02 0.00 0.02 0.00 0.00 54.97 54.56 3ico s GLU 196 Cb 0.18 -0.42 0.01 0.00 0.10 0.00 0.00 34.13 34.00 3ico s GLU 196 CO 0.78 0.11 -0.16 0.08 0.02 0.00 0.00 175.26 176.08 3ico s VAL 197 N -0.41 1.50 -0.14 2.63 1.01 -0.63 -0.89 120.40 123.47 3ico s VAL 197 Ca -0.00 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.33 3ico s VAL 197 Cb -0.04 -1.35 0.01 0.00 0.00 0.00 0.00 36.38 35.00 3ico s VAL 197 CO -0.00 0.44 -0.22 0.26 0.00 0.00 0.00 175.10 175.58 3ico s TRP 198 N 0.76 2.67 -0.26 5.22 0.52 -0.37 -0.30 118.94 127.17 3ico s TRP 198 Ca -0.12 -1.35 -0.07 0.00 0.02 0.00 0.00 56.10 54.58 3ico s TRP 198 Cb -0.16 -1.82 -0.02 0.00 -1.15 0.00 0.00 33.47 30.33 3ico s TRP 198 CO 0.02 -0.62 0.07 -0.51 0.02 0.00 0.00 176.95 175.93 3ico s LEU 199 N 0.82 3.51 -0.53 2.99 1.02 -0.00 -0.69 118.68 125.80 3ico s LEU 199 Ca -0.07 -0.34 -0.14 0.00 0.02 0.00 0.00 54.13 53.60 3ico s LEU 199 Cb -0.15 -1.90 0.13 0.00 0.02 0.00 0.00 46.19 44.28 3ico s LEU 199 CO -0.02 -0.08 0.47 -0.76 0.02 0.00 0.00 176.35 175.98 3ico s LEU 200 N 1.58 6.07 -0.14 1.79 1.02 -0.41 -0.99 118.68 127.60 3ico s LEU 200 Ca 0.05 -1.87 0.02 0.00 0.02 0.00 0.00 54.13 52.36 3ico s LEU 200 Cb -0.16 -2.15 0.01 0.00 0.02 0.00 0.00 46.19 43.91 3ico s LEU 200 CO 0.03 -0.80 -0.21 -0.69 0.02 0.00 0.00 176.35 174.70 3ico s VAL 201 N 1.46 2.11 -0.02 -1.59 1.01 -0.46 -4.51 120.40 118.40 3ico s VAL 201 Ca 0.04 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 60.99 3ico s VAL 201 Cb -0.28 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.26 3ico s VAL 201 CO 0.01 0.55 0.15 -0.94 0.00 0.00 0.00 175.10 174.87 3ico s SER 202 N 0.81 -0.04 0.00 3.32 1.04 -1.26 -2.58 113.70 114.99 3ico s SER 202 Ca -0.07 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.33 3ico s SER 202 Cb -0.16 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.22 3ico s SER 202 CO -0.02 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.55 3ico n GLY 203 N 1.96 3.12 0.20 7.32 0.00 -1.26 -4.79 105.19 111.75 3ico n GLY 203 Ca -0.19 -1.80 0.12 0.00 0.00 0.00 0.00 46.02 44.15 3ico n GLY 203 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3ico h PRO 204 N 0.00 0.00 0.00 1.61 0.11 -1.98 -3.01 132.00 128.74 3ico h PRO 204 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3ico h PRO 204 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3ico h PRO 204 CO 0.00 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 178.57 3ico h GLY 205 N 4.04 0.00 -1.15 -0.55 0.00 -1.90 -2.93 103.07 100.58 3ico h GLY 205 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ico h GLY 205 CO 0.00 0.00 -0.27 0.28 0.00 0.00 0.00 176.54 176.55 3ico n LYS 206 N -2.41 1.59 -0.10 4.80 4.76 -1.15 -4.57 118.16 121.08 3ico n LYS 206 Ca -0.00 -1.20 -0.08 0.00 -2.87 0.00 0.00 58.31 54.16 3ico n LYS 206 Cb 0.13 -1.39 0.08 0.00 -1.84 0.00 0.00 35.03 32.02 3ico n LYS 206 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ico h ALA 207 N 3.60 0.88 -0.15 7.82 0.00 -1.66 -1.67 119.26 128.09 3ico h ALA 207 Ca 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 3ico h ALA 207 Cb 0.73 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3ico h ALA 207 CO 0.00 0.63 -0.06 -0.44 0.00 0.00 0.00 179.25 179.38 3ico h ASP 208 N 0.72 0.32 -0.69 0.00 3.45 -1.84 -1.64 116.42 116.74 3ico h ASP 208 Ca 0.10 -0.40 -0.06 0.00 0.43 0.00 0.00 57.03 57.11 3ico h ASP 208 Cb 0.70 -0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 39.35 3ico h ASP 208 CO 0.05 0.65 0.22 0.00 -1.57 0.00 0.00 179.24 178.60 3ico h ALA 209 N 0.68 1.06 0.02 3.45 0.00 -1.76 0.08 119.26 122.78 3ico h ALA 209 Ca 0.04 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.75 3ico h ALA 209 Cb 0.53 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3ico h ALA 209 CO 0.02 0.64 -0.20 0.28 0.00 0.00 0.00 179.25 179.99 3ico h VAL 210 N 1.05 0.53 -0.26 0.00 2.07 -1.27 0.13 116.25 118.49 3ico h VAL 210 Ca 0.23 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.74 3ico h VAL 210 Cb 0.29 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3ico h VAL 210 CO -0.01 0.00 0.14 0.00 0.02 0.00 0.00 177.57 177.72 3ico h ALA 211 N 0.55 0.34 -0.33 1.67 0.00 -1.10 -0.61 119.26 119.78 3ico h ALA 211 Ca 0.05 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3ico h ALA 211 Cb 0.40 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3ico h ALA 211 CO -0.17 -0.13 0.14 0.00 0.00 0.00 0.00 179.25 179.09 3ico h ALA 212 N 1.02 0.39 0.79 0.00 0.00 -0.91 0.60 119.26 121.15 3ico h ALA 212 Ca 0.09 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3ico h ALA 212 Cb 0.07 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.86 3ico h ALA 212 CO -0.01 -0.25 -0.38 0.00 0.00 0.00 0.00 179.25 178.60 3ico h ALA 213 N 1.19 -1.06 -0.66 0.00 0.00 -0.40 -2.65 119.26 115.68 3ico h ALA 213 Ca 0.14 -0.24 0.13 0.00 0.00 0.00 0.00 54.91 54.95 3ico h ALA 213 Cb 0.09 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3ico h ALA 213 CO -0.13 -1.06 0.45 0.82 0.00 0.00 0.00 179.25 179.33 3ico h ILE 214 N -1.14 0.82 0.00 0.00 2.04 -1.17 -1.55 117.51 116.51 3ico h ILE 214 Ca -0.11 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.63 3ico h ILE 214 Cb 0.83 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 3ico h ILE 214 CO 0.18 0.06 0.00 0.61 0.00 0.00 0.00 178.15 179.00 3ico n GLY 215 N -1.54 -1.00 0.04 5.37 0.00 0.20 -4.90 105.19 103.37 3ico n GLY 215 Ca 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3ico n GLY 215 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ico n GLY 216 N 0.55 1.78 3.73 -0.02 0.00 -0.58 -5.03 105.19 105.62 3ico n GLY 216 Ca 0.10 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 3ico n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ico s ALA 217 N -2.00 2.14 0.28 4.61 0.00 -1.02 -4.98 121.76 120.78 3ico s ALA 217 Ca 0.00 0.65 -0.30 0.00 0.00 0.00 0.00 51.96 52.31 3ico s ALA 217 Cb 0.00 -3.40 -0.11 0.00 0.00 0.00 0.00 23.12 19.61 3ico s ALA 217 CO 0.00 -1.82 1.57 -0.51 0.00 0.00 0.00 175.76 174.99 3ico s ASP 218 N -2.48 6.43 0.44 0.00 1.01 -1.26 -4.80 116.67 116.01 3ico s ASP 218 Ca 0.69 2.88 0.15 0.00 0.71 0.00 0.00 52.55 56.99 3ico s ASP 218 Cb -0.24 -2.63 1.07 0.00 1.01 0.00 0.00 42.92 42.13 3ico s ASP 218 CO 0.48 -0.87 1.97 -0.65 0.21 0.00 0.00 175.17 176.30 3ico h PRO 219 N 5.04 0.36 -0.84 8.23 0.11 -1.88 -0.55 132.00 142.46 3ico h PRO 219 Ca -0.46 -0.02 0.11 0.00 0.11 0.00 0.00 66.00 65.73 3ico h PRO 219 Cb 1.22 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.19 3ico h PRO 219 CO 0.80 0.24 0.55 0.28 -0.21 0.00 0.00 178.00 179.66 3ico h VAL 220 N 0.37 0.92 0.07 3.15 2.07 -1.92 -1.29 116.25 119.63 3ico h VAL 220 Ca 0.29 -0.26 -0.19 0.00 0.82 0.00 0.00 66.70 67.36 3ico h VAL 220 Cb 0.65 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3ico h VAL 220 CO -0.08 0.14 -0.95 0.28 0.02 0.00 0.00 177.57 176.98 3ico h SER 221 N 0.76 0.23 -3.25 0.57 0.02 -1.57 0.06 113.55 110.37 3ico h SER 221 Ca 0.40 -0.83 -0.59 0.00 -0.84 0.00 0.00 61.79 59.92 3ico h SER 221 Cb 0.50 -0.07 -0.40 0.00 0.14 0.00 0.00 62.40 62.57 3ico h SER 221 CO -0.17 1.41 -0.76 -0.69 -1.14 0.00 0.00 176.83 175.49 3ico s VAL 222 N -2.39 1.04 0.39 2.27 1.01 -0.35 -4.68 120.40 117.69 3ico s VAL 222 Ca -0.20 -1.86 0.07 0.00 0.00 0.00 0.00 61.98 59.98 3ico s VAL 222 Cb 0.02 -1.76 0.29 0.00 0.00 0.00 0.00 36.38 34.93 3ico s VAL 222 CO 0.72 -0.78 2.01 -0.65 0.00 0.00 0.00 175.10 176.40 3ico h PRO 223 N 7.50 0.62 -1.02 2.72 0.11 -1.19 -1.39 132.00 139.36 3ico h PRO 223 Ca -0.07 -0.04 0.30 0.00 0.11 0.00 0.00 66.00 66.30 3ico h PRO 223 Cb 0.98 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 31.91 3ico h PRO 223 CO 0.46 0.41 0.77 0.00 -0.21 0.00 0.00 178.00 179.43 3ico h ALA 224 N 1.67 2.94 0.00 -0.75 0.00 -1.02 0.31 119.26 122.42 3ico h ALA 224 Ca 0.24 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3ico h ALA 224 Cb 0.15 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3ico h ALA 224 CO -0.07 -1.29 -0.01 0.00 0.00 0.00 0.00 179.25 177.88 3ico h ALA 225 N 1.42 1.30 -0.00 0.00 0.00 -1.53 -0.90 119.26 119.55 3ico h ALA 225 Ca 0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3ico h ALA 225 Cb 2.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.80 3ico h ALA 225 CO -0.01 0.01 -0.34 0.41 0.00 0.00 0.00 179.25 179.32 3ico n GLY 226 N -1.17 -0.88 3.51 0.00 0.00 0.11 -4.74 105.19 102.01 3ico n GLY 226 Ca -0.03 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 3ico n GLY 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ico s ALA 227 N -2.70 3.44 -0.08 4.61 0.00 -0.34 -4.81 121.76 121.88 3ico s ALA 227 Ca 0.19 -2.91 -0.01 0.00 0.00 0.00 0.00 51.96 49.23 3ico s ALA 227 Cb 0.19 -4.33 0.03 0.00 0.00 0.00 0.00 23.12 19.00 3ico s ALA 227 CO 0.59 -3.12 -0.03 0.08 0.00 0.00 0.00 175.76 173.28 3ico s VAL 228 N 3.17 0.61 0.46 0.00 1.01 -1.26 -4.92 120.40 119.47 3ico s VAL 228 Ca 0.44 -0.05 -0.15 0.00 0.00 0.00 0.00 61.98 62.22 3ico s VAL 228 Cb -0.01 -0.70 -0.08 0.00 0.00 0.00 0.00 36.38 35.59 3ico s VAL 228 CO -0.02 0.29 0.91 -0.83 0.00 0.00 0.00 175.10 175.45 3ico s GLY 229 N 1.70 2.10 0.20 4.51 0.00 -1.25 -4.26 107.32 110.33 3ico s GLY 229 Ca 0.02 0.10 -0.11 0.00 0.00 0.00 0.00 44.72 44.73 3ico s GLY 229 CO -0.05 0.35 1.73 3.21 0.00 0.00 0.00 173.10 178.34 3ico h ARG 230 N 1.23 0.32 0.00 2.90 3.08 -0.75 -3.32 114.38 117.85 3ico h ARG 230 Ca -0.47 -0.02 -0.32 0.00 0.07 0.00 0.00 59.98 59.24 3ico h ARG 230 Cb 1.18 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 31.10 3ico h ARG 230 CO 0.62 0.21 -2.22 0.00 -1.07 0.00 0.00 179.97 177.52 3ico n GLN 231 N -5.05 0.76 -3.45 0.04 0.00 0.25 -4.48 117.38 105.44 3ico n GLN 231 Ca 0.08 0.08 -0.11 0.00 0.00 0.00 0.00 57.00 57.05 3ico n GLN 231 Cb 0.27 -1.44 -0.02 0.00 0.00 0.00 0.00 30.24 29.05 3ico n GLN 231 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 3ico s ASN 232 N -5.80 -0.52 -0.14 2.61 2.20 -0.97 -1.53 114.94 110.79 3ico s ASN 232 Ca -0.23 0.04 0.01 0.00 -0.94 0.00 0.00 52.86 51.74 3ico s ASN 232 Cb 0.07 0.54 0.02 0.00 -2.00 0.00 0.00 41.25 39.87 3ico s ASN 232 CO 0.56 -0.85 -0.15 -0.89 -2.94 0.00 0.00 177.10 172.83 3ico s THR 233 N -3.43 1.61 -0.28 0.54 2.01 -0.75 -1.60 115.64 113.73 3ico s THR 233 Ca 0.01 -0.67 -0.04 0.00 0.31 0.00 0.00 61.69 61.31 3ico s THR 233 Cb -0.01 -1.49 0.02 0.00 0.01 0.00 0.00 72.50 71.03 3ico s THR 233 CO -0.11 0.46 0.01 -0.22 -0.69 0.00 0.00 174.62 174.08 3ico s LEU 234 N 1.33 3.60 -0.35 4.42 2.96 0.59 -0.78 118.68 130.46 3ico s LEU 234 Ca 0.02 -0.87 -0.17 0.00 -0.22 0.00 0.00 54.13 52.89 3ico s LEU 234 Cb -0.13 -1.77 -0.01 0.00 0.50 0.00 0.00 46.19 44.78 3ico s LEU 234 CO -0.08 -0.18 0.46 0.26 -1.32 0.00 0.00 176.35 175.49 3ico s TRP 235 N 1.39 3.19 -0.37 5.38 0.52 0.24 -0.82 118.94 128.47 3ico s TRP 235 Ca 0.00 0.11 -0.06 0.00 0.02 0.00 0.00 56.10 56.18 3ico s TRP 235 Cb -0.17 -2.84 0.07 0.00 -1.15 0.00 0.00 33.47 29.38 3ico s TRP 235 CO -0.01 -0.50 0.16 -0.51 0.02 0.00 0.00 176.95 176.10 3ico s LEU 236 N 2.27 4.70 0.17 2.99 1.43 -0.16 -1.01 118.68 129.06 3ico s LEU 236 Ca 0.16 -1.45 0.09 0.00 -1.03 0.00 0.00 54.13 51.91 3ico s LEU 236 Cb -0.16 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 3ico s LEU 236 CO 0.13 -0.42 -0.15 -0.76 0.23 0.00 0.00 176.35 175.38 3ico s LEU 237 N 1.33 2.80 0.51 1.79 1.43 0.03 -1.35 118.68 125.22 3ico s LEU 237 Ca 0.01 -0.64 0.04 0.00 -1.03 0.00 0.00 54.13 52.51 3ico s LEU 237 Cb -0.21 -1.53 0.03 0.00 0.03 0.00 0.00 46.19 44.51 3ico s LEU 237 CO 0.01 0.12 0.71 1.51 0.23 0.00 0.00 176.35 178.93 3ico s ASP 238 N -2.64 5.40 0.40 2.29 -4.77 -1.06 -0.49 116.67 115.80 3ico s ASP 238 Ca 0.22 -0.15 0.08 0.00 -3.30 0.00 0.00 52.55 49.40 3ico s ASP 238 Cb -0.09 -0.80 0.87 0.00 -1.09 0.00 0.00 42.92 41.82 3ico s ASP 238 CO 0.13 -1.02 2.02 0.03 0.70 0.00 0.00 175.17 177.03 3ico h ARG 239 N 0.26 0.55 -0.35 2.11 3.08 -1.31 -0.61 114.38 118.11 3ico h ARG 239 Ca -0.41 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.55 3ico h ARG 239 Cb 1.29 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 3ico h ARG 239 CO 0.50 0.37 0.00 -0.44 -1.07 0.00 0.00 179.97 179.33 3ico h ASP 240 N 0.57 0.61 1.08 7.04 3.32 -1.87 -1.93 116.42 125.24 3ico h ASP 240 Ca 0.22 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 3ico h ASP 240 Cb 0.16 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3ico h ASP 240 CO -0.06 0.77 -0.10 0.00 -1.72 0.00 0.00 179.24 178.13 3ico h ALA 241 N 0.87 1.00 -0.01 3.45 0.00 -1.27 -2.82 119.26 120.48 3ico h ALA 241 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ico h ALA 241 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3ico h ALA 241 CO 0.02 0.13 -0.07 0.00 0.00 0.00 0.00 179.25 179.32 3ico n ALA 242 N -2.15 2.71 0.23 0.00 0.00 -0.30 -4.23 120.51 116.77 3ico n ALA 242 Ca 0.01 -0.45 0.07 0.00 0.00 0.00 0.00 53.44 53.06 3ico n ALA 242 Cb 0.38 -1.13 0.55 0.00 0.00 0.00 0.00 19.45 19.25 3ico n ALA 242 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ico h ALA 243 N 4.19 1.66 -0.21 0.00 0.00 -1.08 -2.30 119.26 121.52 3ico h ALA 243 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ico h ALA 243 Cb 0.53 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3ico h ALA 243 CO 0.00 0.20 0.00 1.63 0.00 0.00 0.00 179.25 181.08 3ico n LYS 244 N -4.24 1.95 -2.25 0.00 4.76 -1.26 -4.92 118.16 112.19 3ico n LYS 244 Ca -0.02 -1.43 -0.36 0.00 -2.87 0.00 0.00 58.31 53.62 3ico n LYS 244 Cb 0.23 -1.43 -0.00 0.00 -1.84 0.00 0.00 35.03 31.99 3ico n LYS 244 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3ico s LEU 245 N -1.58 3.87 0.31 -0.35 1.43 -0.87 -4.84 118.68 116.66 3ico s LEU 245 Ca 0.34 2.24 -0.28 0.00 -1.03 0.00 0.00 54.13 55.40 3ico s LEU 245 Cb 0.19 -4.42 -0.13 0.00 0.03 0.00 0.00 46.19 41.85 3ico s LEU 245 CO 0.28 -1.08 1.09 -2.65 0.23 0.00 0.00 176.35 174.21 3ico n PRO 246 N -0.92 1.57 0.00 1.29 -0.02 -1.26 -5.14 135.00 130.51 3ico n PRO 246 Ca 0.10 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3ico n PRO 246 Cb 0.50 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 3ico n PRO 246 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35