#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ihf h GLN 3 N 0.00 0.00 0.00 1.43 4.15 -2.00 -2.59 115.11 116.10 3ihf h GLN 3 Ca 0.00 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.31 3ihf h GLN 3 Cb 0.00 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 3ihf h GLN 3 CO 0.00 0.03 -1.32 -1.13 -1.93 0.00 0.00 178.83 174.48 3ihf n SER 4 N -3.58 0.82 0.08 -0.69 3.41 -1.26 -1.48 113.62 110.93 3ihf n SER 4 Ca -0.03 0.35 -0.04 0.00 -0.26 0.00 0.00 58.87 58.89 3ihf n SER 4 Cb 0.12 0.31 0.17 0.00 -0.26 0.00 0.00 64.21 64.55 3ihf n SER 4 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3ihf h ASN 5 N 0.00 0.28 -0.45 4.04 2.35 -1.92 -1.98 115.58 117.90 3ihf h ASN 5 Ca -0.12 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.49 3ihf h ASN 5 Cb 1.40 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 39.67 3ihf h ASN 5 CO 0.03 0.73 0.26 -0.09 -1.65 0.00 0.00 177.43 176.71 3ihf h ARG 6 N 0.21 0.62 -0.11 0.81 2.43 -1.40 -2.44 114.38 114.51 3ihf h ARG 6 Ca 0.01 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3ihf h ARG 6 Cb 0.95 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 3ihf h ARG 6 CO 0.08 0.47 0.06 1.49 -1.51 0.00 0.00 179.97 180.56 3ihf h GLU 7 N 0.60 0.15 -0.99 0.20 4.81 -1.11 -1.67 114.58 116.57 3ihf h GLU 7 Ca 0.16 -0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.48 3ihf h GLU 7 Cb 0.02 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.29 3ihf h GLU 7 CO -0.03 0.18 0.63 -0.07 -0.73 0.00 0.00 179.01 178.99 3ihf h LEU 8 N 0.08 0.93 -0.34 1.64 3.38 -1.37 -1.41 115.31 118.23 3ihf h LEU 8 Ca 0.04 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3ihf h LEU 8 Cb 0.07 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3ihf h LEU 8 CO -0.01 0.51 0.07 0.58 0.09 0.00 0.00 178.44 179.68 3ihf h VAL 9 N 1.01 1.23 -0.29 1.22 2.07 -0.94 -2.31 116.25 118.24 3ihf h VAL 9 Ca 0.48 -0.80 -0.16 0.00 0.82 0.00 0.00 66.70 67.04 3ihf h VAL 9 Cb 0.44 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3ihf h VAL 9 CO -0.24 0.27 -0.44 0.58 0.02 0.00 0.00 177.57 177.75 3ihf h VAL 10 N 0.39 1.29 -0.33 2.57 2.07 -1.06 -1.86 116.25 119.32 3ihf h VAL 10 Ca 0.10 -1.63 -0.02 0.00 0.82 0.00 0.00 66.70 65.98 3ihf h VAL 10 Cb 0.33 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 3ihf h VAL 10 CO 0.00 0.53 0.13 -0.78 0.02 0.00 0.00 177.57 177.47 3ihf h ASP 11 N 0.58 0.41 0.18 0.57 3.58 -1.27 0.93 116.42 121.40 3ihf h ASP 11 Ca 0.03 -0.04 -0.35 0.00 0.42 0.00 0.00 57.03 57.09 3ihf h ASP 11 Cb 1.04 -0.10 0.01 0.00 1.72 0.00 0.00 39.33 42.00 3ihf h ASP 11 CO 0.10 0.38 -1.74 0.15 -2.88 0.00 0.00 179.24 175.25 3ihf h PHE 12 N 0.46 0.69 -0.31 0.28 3.04 -0.99 -2.15 116.94 117.97 3ihf h PHE 12 Ca 0.11 -0.51 -0.10 0.00 3.98 0.00 0.00 57.97 61.46 3ihf h PHE 12 Cb 0.10 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.58 3ihf h PHE 12 CO 0.00 1.68 -0.21 -0.07 -2.02 0.00 0.00 178.31 177.70 3ihf h LEU 13 N 0.07 0.71 -0.92 0.59 3.38 -1.28 0.32 115.31 118.19 3ihf h LEU 13 Ca -0.35 -0.43 -0.10 0.00 0.09 0.00 0.00 57.88 57.09 3ihf h LEU 13 Cb 2.07 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.61 3ihf h LEU 13 CO 0.16 0.99 -0.28 0.77 0.09 0.00 0.00 178.44 180.18 3ihf h SER 14 N 0.44 0.47 -0.45 -0.43 4.64 -0.87 0.13 113.55 117.47 3ihf h SER 14 Ca 0.06 -0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.21 3ihf h SER 14 Cb 0.75 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.69 3ihf h SER 14 CO 0.06 0.73 0.27 0.22 -0.87 0.00 0.00 176.83 177.24 3ihf h TYR 15 N 0.40 0.61 -0.09 4.77 3.20 -1.19 -1.19 116.97 123.49 3ihf h TYR 15 Ca 0.06 0.00 -0.23 0.00 3.14 0.00 0.00 58.73 61.69 3ihf h TYR 15 Cb 0.70 -0.20 0.01 0.00 1.54 0.00 0.00 36.73 38.78 3ihf h TYR 15 CO 0.02 0.42 -0.87 0.87 -1.64 0.00 0.00 178.16 176.96 3ihf h LYS 16 N 0.65 0.71 0.41 1.82 1.79 -0.21 -2.29 116.57 119.45 3ihf h LYS 16 Ca 0.17 -0.64 -0.01 0.00 -2.18 0.00 0.00 60.65 57.99 3ihf h LYS 16 Cb -0.00 0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.78 3ihf h LYS 16 CO -0.03 1.25 -0.39 -0.07 -1.08 0.00 0.00 179.45 179.12 3ihf h LEU 17 N 0.45 -1.05 -0.86 2.94 3.38 -0.67 -2.91 115.31 116.59 3ihf h LEU 17 Ca -0.08 0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3ihf h LEU 17 Cb 1.51 0.35 -0.03 0.00 0.09 0.00 0.00 40.66 42.58 3ihf h LEU 17 CO 0.17 -0.55 0.18 0.77 0.09 0.00 0.00 178.44 179.11 3ihf h SER 18 N -0.82 0.96 -0.93 -0.43 4.64 -1.06 -1.75 113.55 114.16 3ihf h SER 18 Ca -0.04 -0.18 0.19 0.00 -0.47 0.00 0.00 61.79 61.29 3ihf h SER 18 Cb 0.72 -0.25 -0.08 0.00 -0.31 0.00 0.00 62.40 62.48 3ihf h SER 18 CO -0.05 0.92 0.60 -0.61 -0.87 0.00 0.00 176.83 176.82 3ihf h GLN 19 N 0.99 0.54 -0.17 4.77 4.15 -1.40 0.76 115.11 124.74 3ihf h GLN 19 Ca 0.21 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.60 3ihf h GLN 19 Cb 0.31 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.88 3ihf h GLN 19 CO -0.00 0.35 0.00 1.63 -1.93 0.00 0.00 178.83 178.88 3ihf n LYS 20 N -4.58 1.65 -0.57 1.69 4.76 -1.07 -4.95 118.16 115.08 3ihf n LYS 20 Ca 0.20 -0.98 0.00 0.00 -2.87 0.00 0.00 58.31 54.67 3ihf n LYS 20 Cb 0.63 -1.36 0.00 0.00 -1.84 0.00 0.00 35.03 32.46 3ihf n LYS 20 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ihf n GLY 21 N 1.07 0.66 3.79 0.72 0.00 0.26 -5.06 105.19 106.63 3ihf n GLY 21 Ca 0.15 -0.45 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 3ihf n GLY 21 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ihf s TYR 22 N -2.00 2.05 0.28 1.61 2.02 -0.68 -5.00 117.35 115.63 3ihf s TYR 22 Ca 0.00 -0.79 0.02 0.00 -0.37 0.00 0.00 57.07 55.93 3ihf s TYR 22 Cb 0.00 -1.82 -0.05 0.00 -0.40 0.00 0.00 41.96 39.69 3ihf s TYR 22 CO 0.00 0.02 0.09 -1.54 -1.57 0.00 0.00 175.55 172.54 3ihf s SER 23 N -4.00 1.54 0.07 2.29 1.04 -1.26 -2.84 113.70 110.54 3ihf s SER 23 Ca 0.27 -1.38 -0.30 0.00 0.48 0.00 0.00 55.95 55.02 3ihf s SER 23 Cb 0.02 0.09 -0.18 0.00 0.10 0.00 0.00 66.02 66.05 3ihf s SER 23 CO 0.15 -0.69 1.62 -0.25 0.98 0.00 0.00 173.24 175.04 3ihf h TRP 24 N 2.30 -0.58 -1.89 5.02 2.91 -1.91 -3.47 115.95 118.34 3ihf h TRP 24 Ca -0.39 -0.01 -0.61 0.00 1.13 0.00 0.00 58.89 59.00 3ihf h TRP 24 Cb 1.25 0.19 -0.13 0.00 -0.51 0.00 0.00 29.16 29.96 3ihf h TRP 24 CO 0.49 -0.34 -0.65 0.45 -1.03 0.00 0.00 178.44 177.36 3ihf s SER 25 N -4.67 3.87 0.40 2.65 0.15 -1.26 -4.91 113.70 109.94 3ihf s SER 25 Ca -0.16 -1.17 0.29 0.00 0.70 0.00 0.00 55.95 55.60 3ihf s SER 25 Cb 0.04 -0.40 1.20 0.00 -1.71 0.00 0.00 66.02 65.15 3ihf s SER 25 CO 0.62 -0.25 1.85 0.06 1.20 0.00 0.00 173.24 176.72 3ihf h GLN 26 N 1.93 0.00 -0.07 5.44 3.07 -1.97 -3.12 115.11 120.39 3ihf h GLN 26 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.32 3ihf h GLN 26 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.81 3ihf h GLN 26 CO 0.71 0.00 0.00 1.19 0.09 0.00 0.00 178.83 180.82 3ihf n PHE 27 N -2.65 0.09 1.42 0.06 3.72 -1.26 -4.88 117.46 113.96 3ihf n PHE 27 Ca 0.01 -0.38 0.00 0.00 -0.05 0.00 0.00 57.45 57.03 3ihf n PHE 27 Cb 0.26 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 3ihf n PHE 27 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3ihf n SER 28 N -0.14 0.05 -4.44 4.37 3.41 -1.18 -5.15 113.62 110.53 3ihf n SER 28 Ca 0.03 -1.46 -0.44 0.00 -0.26 0.00 0.00 58.87 56.74 3ihf n SER 28 Cb 0.24 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.14 3ihf n SER 28 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3ihf s ASP 29 N -1.20 6.45 0.17 4.04 1.11 -1.26 -4.90 116.67 121.08 3ihf s ASP 29 Ca 0.00 -1.68 0.02 0.00 0.18 0.00 0.00 52.55 51.07 3ihf s ASP 29 Cb 0.00 -2.40 -0.01 0.00 1.07 0.00 0.00 42.92 41.59 3ihf s ASP 29 CO 0.00 -1.18 0.06 -1.54 1.18 0.00 0.00 175.17 173.69 3ihf n SER 73 N 6.87 1.12 -4.62 0.27 3.41 -1.26 -5.27 113.62 114.13 3ihf n SER 73 Ca 0.13 -1.91 -0.46 0.00 -0.26 0.00 0.00 58.87 56.37 3ihf n SER 73 Cb 0.47 0.42 -0.03 0.00 -0.26 0.00 0.00 64.21 64.81 3ihf n SER 73 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3ihf n SER 74 N -1.81 2.01 -4.61 4.04 7.64 -1.26 -5.00 113.62 114.63 3ihf n SER 74 Ca -0.03 1.15 -0.38 0.00 1.01 0.00 0.00 58.87 60.62 3ihf n SER 74 Cb 0.26 -1.33 0.05 0.00 -1.01 0.00 0.00 64.21 62.18 3ihf n SER 74 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3ihf n LEU 75 N 1.94 3.54 -0.22 -3.43 0.00 -1.26 -4.94 117.00 112.64 3ihf n LEU 75 Ca 0.12 0.80 0.09 0.00 0.00 0.00 0.00 56.01 57.03 3ihf n LEU 75 Cb 0.29 -1.38 0.37 0.00 0.00 0.00 0.00 43.42 42.70 3ihf n LEU 75 CO 0.62 -1.92 1.22 0.44 0.00 0.00 0.00 177.39 177.75 3ihf h ASP 76 N 0.48 0.65 -0.87 1.96 3.45 -2.11 -3.33 116.42 116.65 3ihf h ASP 76 Ca -0.48 0.02 -0.47 0.00 0.43 0.00 0.00 57.03 56.53 3ihf h ASP 76 Cb 1.37 -0.12 -0.07 0.00 -0.56 0.00 0.00 39.33 39.95 3ihf h ASP 76 CO 0.51 0.38 1.24 0.00 -1.57 0.00 0.00 179.24 179.80 3ihf s ALA 77 N -5.67 2.29 0.00 3.45 0.00 -1.26 -4.99 121.76 115.58 3ihf s ALA 77 Ca -0.10 -2.03 0.00 0.00 0.00 0.00 0.00 51.96 49.83 3ihf s ALA 77 Cb 0.20 -4.57 0.00 0.00 0.00 0.00 0.00 23.12 18.76 3ihf s ALA 77 CO 0.78 -4.20 0.00 0.54 0.00 0.00 0.00 175.76 172.88 3ihf n ARG 78 N 8.76 0.00 -3.91 0.00 1.74 -1.25 -5.16 116.66 116.84 3ihf n ARG 78 Ca 0.39 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 57.26 3ihf n ARG 78 Cb 0.48 0.00 -0.17 0.00 -1.02 0.00 0.00 32.46 31.76 3ihf n ARG 78 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3ihf s GLU 79 N -3.34 0.54 0.04 5.56 2.56 -1.26 -4.99 118.70 117.81 3ihf s GLU 79 Ca 0.00 0.06 -0.10 0.00 0.00 0.00 0.00 54.97 54.93 3ihf s GLU 79 Cb 0.00 -0.77 0.01 0.00 2.00 0.00 0.00 34.13 35.37 3ihf s GLU 79 CO 0.00 -0.20 0.22 0.14 -0.56 0.00 0.00 175.26 174.86 3ihf s VAL 80 N 1.43 0.11 -0.23 3.70 -7.23 -1.26 -5.13 120.40 111.79 3ihf s VAL 80 Ca -0.03 -0.87 -0.29 0.00 -1.81 0.00 0.00 61.98 58.97 3ihf s VAL 80 Cb -0.13 -0.94 -0.06 0.00 0.56 0.00 0.00 36.38 35.80 3ihf s VAL 80 CO -0.03 -0.48 2.21 -0.38 -0.31 0.00 0.00 175.10 176.12 3ihf n ILE 81 N 0.62 0.33 -0.24 -0.62 -0.00 -1.26 -4.91 119.36 113.27 3ihf n ILE 81 Ca -0.19 -0.42 -0.06 0.00 -0.00 0.00 0.00 62.75 62.08 3ihf n ILE 81 Cb 0.59 -2.40 -0.06 0.00 -0.00 0.00 0.00 39.64 37.77 3ihf n ILE 81 CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 3ihf n PRO 82 N 8.61 -0.25 0.00 0.38 -0.02 -1.26 -4.81 135.00 137.65 3ihf n PRO 82 Ca 0.32 1.29 0.00 0.00 -2.02 0.00 0.00 63.50 63.09 3ihf n PRO 82 Cb 0.41 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 3ihf n PRO 82 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 3ihf n MET 83 N -4.30 0.00 -0.02 -0.52 1.56 -1.26 -4.51 117.12 108.08 3ihf n MET 83 Ca 0.01 0.00 0.01 0.00 -0.27 0.00 0.00 57.70 57.45 3ihf n MET 83 Cb 0.15 -0.04 -0.13 0.00 2.15 0.00 0.00 33.22 35.35 3ihf n MET 83 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3ihf n ALA 84 N -0.50 2.09 0.08 -5.12 0.00 -1.26 -3.68 120.51 112.11 3ihf n ALA 84 Ca 0.00 -0.76 -0.05 0.00 0.00 0.00 0.00 53.44 52.63 3ihf n ALA 84 Cb 0.00 -0.67 -0.05 0.00 0.00 0.00 0.00 19.45 18.73 3ihf n ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ihf h ALA 85 N 1.49 0.49 -0.05 0.00 0.00 -1.96 -2.73 119.26 116.52 3ihf h ALA 85 Ca -0.22 -0.81 -0.01 0.00 0.00 0.00 0.00 54.91 53.87 3ihf h ALA 85 Cb 1.58 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 3ihf h ALA 85 CO 0.03 1.11 0.01 0.28 0.00 0.00 0.00 179.25 180.67 3ihf h VAL 86 N 0.00 1.22 -0.98 0.00 2.07 -1.89 -2.09 116.25 114.58 3ihf h VAL 86 Ca -0.01 -0.67 0.13 0.00 0.82 0.00 0.00 66.70 66.97 3ihf h VAL 86 Cb 1.61 1.58 -0.09 0.00 -1.52 0.00 0.00 31.29 32.87 3ihf h VAL 86 CO 0.12 0.18 0.61 0.11 0.02 0.00 0.00 177.57 178.60 3ihf h LYS 87 N -0.18 0.90 0.06 1.57 1.57 -1.63 -0.35 116.57 118.52 3ihf h LYS 87 Ca 0.01 -0.05 -0.20 0.00 -1.87 0.00 0.00 60.65 58.54 3ihf h LYS 87 Cb 0.29 -0.20 0.02 0.00 0.08 0.00 0.00 32.23 32.41 3ihf h LYS 87 CO 0.00 0.60 -0.81 0.37 -0.57 0.00 0.00 179.45 179.04 3ihf h GLN 88 N 0.93 0.44 -0.79 3.15 5.75 -1.47 -2.18 115.11 120.94 3ihf h GLN 88 Ca 0.50 -0.56 0.04 0.00 -0.15 0.00 0.00 58.65 58.48 3ihf h GLN 88 Cb 0.54 0.18 -0.05 0.00 1.07 0.00 0.00 27.48 29.22 3ihf h GLN 88 CO -0.28 1.21 0.52 0.00 -2.65 0.00 0.00 178.83 177.62 3ihf h ALA 89 N 0.25 1.55 -0.32 3.38 0.00 -1.21 -2.44 119.26 120.46 3ihf h ALA 89 Ca -0.12 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 3ihf h ALA 89 Cb 1.54 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3ihf h ALA 89 CO 0.16 0.37 -0.08 1.25 0.00 0.00 0.00 179.25 180.95 3ihf h LEU 90 N 0.95 0.63 -0.39 0.00 5.85 -1.07 -0.74 115.31 120.54 3ihf h LEU 90 Ca 0.32 -0.36 0.08 0.00 0.84 0.00 0.00 57.88 58.76 3ihf h LEU 90 Cb 0.08 -0.17 -0.09 0.00 0.37 0.00 0.00 40.66 40.85 3ihf h LEU 90 CO -0.10 0.85 -0.20 0.03 -0.34 0.00 0.00 178.44 178.67 3ihf h ARG 91 N 0.40 -0.13 -0.26 1.25 3.08 -1.14 0.23 114.38 117.80 3ihf h ARG 91 Ca 0.08 0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 3ihf h ARG 91 Cb 0.57 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 3ihf h ARG 91 CO 0.03 -0.09 -0.10 0.93 -1.07 0.00 0.00 179.97 179.67 3ihf h GLU 92 N -0.14 0.54 -0.74 0.04 5.08 -1.40 -0.43 114.58 117.53 3ihf h GLU 92 Ca 0.19 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3ihf h GLU 92 Cb 0.43 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 3ihf h GLU 92 CO -0.47 0.77 0.36 0.00 -1.00 0.00 0.00 179.01 178.66 3ihf h ALA 93 N 0.75 0.95 -0.69 3.43 0.00 -0.90 -0.86 119.26 121.94 3ihf h ALA 93 Ca 0.06 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3ihf h ALA 93 Cb 0.59 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3ihf h ALA 93 CO 0.03 0.51 0.45 0.78 0.00 0.00 0.00 179.25 181.03 3ihf h GLY 94 N 1.03 0.98 0.90 0.00 0.00 -0.32 -0.73 103.07 104.94 3ihf h GLY 94 Ca 0.25 -0.35 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 3ihf h GLY 94 CO -0.03 0.34 -0.08 -0.55 0.00 0.00 0.00 176.54 176.21 3ihf h ASP 95 N 0.91 0.61 -0.42 0.19 3.32 -0.57 -1.75 116.42 118.71 3ihf h ASP 95 Ca 0.26 -0.37 -0.09 0.00 0.02 0.00 0.00 57.03 56.85 3ihf h ASP 95 Cb -0.08 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 3ihf h ASP 95 CO -0.07 0.84 -0.08 -0.33 -1.72 0.00 0.00 179.24 177.88 3ihf h GLU 96 N 0.38 0.86 -0.18 3.56 4.39 -1.08 -0.80 114.58 121.70 3ihf h GLU 96 Ca 0.08 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.49 3ihf h GLU 96 Cb 0.57 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 3ihf h GLU 96 CO 0.03 0.91 0.11 0.35 -1.16 0.00 0.00 179.01 179.25 3ihf h PHE 97 N 0.78 0.24 -0.41 4.33 3.04 -1.06 -2.08 116.94 121.78 3ihf h PHE 97 Ca 0.13 -0.00 -0.08 0.00 3.98 0.00 0.00 57.97 62.00 3ihf h PHE 97 Cb 0.58 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.99 3ihf h PHE 97 CO 0.03 0.20 -0.08 1.49 -2.02 0.00 0.00 178.31 177.93 3ihf h GLU 98 N 0.21 0.72 0.00 1.11 4.81 -1.07 -2.35 114.58 118.01 3ihf h GLU 98 Ca 0.07 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 3ihf h GLU 98 Cb 0.03 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 3ihf h GLU 98 CO -0.01 0.79 -0.13 -0.07 -0.73 0.00 0.00 179.01 178.85 3ihf h LEU 99 N 0.66 0.00 0.05 1.64 3.38 -1.04 -3.31 115.31 116.69 3ihf h LEU 99 Ca 0.12 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.77 3ihf h LEU 99 Cb 0.53 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 3ihf h LEU 99 CO 0.03 0.13 -1.78 -0.09 0.09 0.00 0.00 178.44 176.82 3ihf h ARG 100 N 0.00 0.10 -3.13 1.13 9.65 -1.04 -3.42 114.38 117.67 3ihf h ARG 100 Ca -0.00 -0.16 -0.64 0.00 -1.10 0.00 0.00 59.98 58.07 3ihf h ARG 100 Cb 0.48 0.06 -0.40 0.00 -1.39 0.00 0.00 29.97 28.72 3ihf h ARG 100 CO 0.02 0.76 -0.45 0.66 2.80 0.00 0.00 179.97 183.75 3ihf n TYR 101 N -3.21 3.51 -0.26 2.20 4.01 -0.91 -4.89 117.16 117.60 3ihf n TYR 101 Ca -0.21 -4.27 -0.06 0.00 -0.16 0.00 0.00 57.90 53.20 3ihf n TYR 101 Cb 1.05 -0.75 -0.04 0.00 -0.31 0.00 0.00 39.34 39.28 3ihf n TYR 101 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3ihf n ARG 102 N 2.01 -0.25 -0.06 -0.72 0.63 -1.26 -3.28 116.66 113.73 3ihf n ARG 102 Ca 0.21 0.97 -0.07 0.00 -0.92 0.00 0.00 57.85 58.04 3ihf n ARG 102 Cb 0.35 -1.43 -0.01 0.00 0.45 0.00 0.00 32.46 31.82 3ihf n ARG 102 CO 0.00 0.00 0.00 0.07 -2.51 0.00 0.00 177.63 175.19 3ihf h ARG 103 N 0.00 -0.11 -6.47 -0.14 0.11 -1.94 -3.49 114.38 102.34 3ihf h ARG 103 Ca 0.13 0.01 -0.59 0.00 0.10 0.00 0.00 59.98 59.63 3ihf h ARG 103 Cb 0.29 0.02 0.16 0.00 1.11 0.00 0.00 29.97 31.55 3ihf h ARG 103 CO -0.61 -0.07 -0.32 0.00 0.10 0.00 0.00 179.97 179.06 3ihf n ALA 104 N -2.65 -1.07 0.00 0.08 0.00 -1.20 -3.37 120.51 112.30 3ihf n ALA 104 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3ihf n ALA 104 Cb 0.22 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 17.83 3ihf n ALA 104 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3ihf n PHE 105 N -1.30 0.00 -0.34 0.00 3.72 -1.26 -4.84 117.46 113.44 3ihf n PHE 105 Ca 0.11 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.53 3ihf n PHE 105 Cb 0.44 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 39.07 3ihf n PHE 105 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3ihf h SER 106 N 0.00 -1.08 0.56 4.37 0.02 -1.96 3.75 113.55 119.22 3ihf h SER 106 Ca 0.00 0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 61.21 3ihf h SER 106 Cb 0.00 0.63 0.01 0.00 0.14 0.00 0.00 62.40 63.18 3ihf h SER 106 CO 0.00 -0.30 -0.27 0.44 -1.14 0.00 0.00 176.83 175.56 3ihf h ASP 107 N -0.02 -0.64 -0.55 3.07 5.19 -1.88 -0.91 116.42 120.68 3ihf h ASP 107 Ca 0.39 0.01 0.02 0.00 -0.62 0.00 0.00 57.03 56.83 3ihf h ASP 107 Cb 0.64 0.16 -0.03 0.00 0.18 0.00 0.00 39.33 40.28 3ihf h ASP 107 CO -0.94 -0.44 0.35 -0.07 -3.12 0.00 0.00 179.24 175.02 3ihf h LEU 108 N -0.78 0.58 0.10 1.55 4.07 -1.17 -2.01 115.31 117.65 3ihf h LEU 108 Ca -0.08 -0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.87 3ihf h LEU 108 Cb 0.59 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.20 3ihf h LEU 108 CO 0.13 0.41 -0.05 0.74 -1.08 0.00 0.00 178.44 178.59 3ihf h THR 109 N 0.69 1.10 -0.88 0.22 2.02 0.69 -0.03 112.91 116.73 3ihf h THR 109 Ca 0.21 -0.85 0.15 0.00 0.77 0.00 0.00 66.41 66.69 3ihf h THR 109 Cb -0.02 1.64 -0.07 0.00 -1.74 0.00 0.00 68.15 67.95 3ihf h THR 109 CO -0.07 0.20 0.57 0.28 0.37 0.00 0.00 175.52 176.87 3ihf h SER 110 N -0.54 0.62 -0.35 4.18 0.02 -1.18 0.12 113.55 116.42 3ihf h SER 110 Ca -0.01 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3ihf h SER 110 Cb 0.44 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 3ihf h SER 110 CO 0.02 0.31 0.22 1.56 -1.14 0.00 0.00 176.83 177.81 3ihf h GLN 111 N 0.66 0.47 0.21 3.45 4.20 -0.91 -3.15 115.11 120.03 3ihf h GLN 111 Ca 0.44 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.11 3ihf h GLN 111 Cb 0.75 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.43 3ihf h GLN 111 CO -0.20 0.34 -0.10 1.25 -0.67 0.00 0.00 178.83 179.45 3ihf h LEU 112 N 0.47 -0.24 -3.11 1.46 6.46 0.29 -3.48 115.31 117.15 3ihf h LEU 112 Ca 0.13 -0.24 -0.38 0.00 -0.12 0.00 0.00 57.88 57.26 3ihf h LEU 112 Cb -0.02 0.06 0.09 0.00 -0.73 0.00 0.00 40.66 40.06 3ihf h LEU 112 CO -0.03 0.14 -0.87 1.57 -0.62 0.00 0.00 178.44 178.64 3ihf n HIS 113 N -5.05 -2.06 -2.08 1.25 -0.00 0.27 -4.82 115.22 102.73 3ihf n HIS 113 Ca -0.09 0.57 -0.41 0.00 -0.00 0.00 0.00 57.72 57.79 3ihf n HIS 113 Cb 0.25 -3.51 -0.03 0.00 -0.00 0.00 0.00 29.99 26.70 3ihf n HIS 113 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.34 174.84 3ihf s ILE 114 N -3.38 2.85 0.34 3.57 2.07 -1.26 -4.98 121.20 120.40 3ihf s ILE 114 Ca 0.41 0.71 0.03 0.00 -1.41 0.00 0.00 60.65 60.39 3ihf s ILE 114 Cb -0.13 -3.45 -0.04 0.00 0.13 0.00 0.00 42.46 38.97 3ihf s ILE 114 CO 0.84 0.11 0.14 0.42 -1.91 0.00 0.00 174.94 174.54 3ihf s THR 115 N 0.06 0.54 -1.01 4.00 -4.23 -1.26 -5.00 115.64 108.75 3ihf s THR 115 Ca 0.59 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 3ihf s THR 115 Cb -0.40 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 70.94 3ihf s THR 115 CO 0.41 0.00 0.97 -2.65 -0.54 0.00 0.00 174.62 172.81 3ihf n PRO 116 N -0.71 0.00 0.01 3.99 -0.02 -1.26 -1.31 135.00 135.71 3ihf n PRO 116 Ca -0.02 0.47 0.12 0.00 -2.02 0.00 0.00 63.50 62.06 3ihf n PRO 116 Cb 0.65 -1.51 0.28 0.00 -0.02 0.00 0.00 33.50 32.90 3ihf n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ihf n GLY 117 N -1.47 -1.32 3.73 -1.23 0.00 -1.26 -4.97 105.19 98.66 3ihf n GLY 117 Ca 0.00 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 3ihf n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ihf s THR 118 N -3.04 4.01 0.33 2.61 2.01 -0.42 -5.03 115.64 116.11 3ihf s THR 118 Ca 0.10 1.58 -0.01 0.00 0.31 0.00 0.00 61.69 63.68 3ihf s THR 118 Cb 0.17 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 3ihf s THR 118 CO 0.68 0.20 0.55 0.00 -0.69 0.00 0.00 174.62 175.36 3ihf s ALA 119 N 0.39 3.68 0.21 7.40 0.00 -1.26 -4.94 121.76 127.25 3ihf s ALA 119 Ca 0.53 -0.83 -0.09 0.00 0.00 0.00 0.00 51.96 51.58 3ihf s ALA 119 Cb -0.29 -2.15 0.30 0.00 0.00 0.00 0.00 23.12 20.98 3ihf s ALA 119 CO 0.32 0.03 1.76 -0.92 0.00 0.00 0.00 175.76 176.95 3ihf h TYR 120 N 0.95 0.48 -0.78 0.00 3.20 -1.99 -2.99 116.97 115.84 3ihf h TYR 120 Ca -0.49 0.03 0.18 0.00 3.14 0.00 0.00 58.73 61.59 3ihf h TYR 120 Cb 1.21 -0.12 -0.12 0.00 1.54 0.00 0.00 36.73 39.25 3ihf h TYR 120 CO 0.53 0.14 0.19 1.96 -1.64 0.00 0.00 178.16 179.34 3ihf h GLN 121 N 0.47 0.25 -0.23 1.82 4.20 -1.98 0.49 115.11 120.14 3ihf h GLN 121 Ca 0.32 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 59.03 3ihf h GLN 121 Cb 0.38 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.09 3ihf h GLN 121 CO -0.29 0.17 0.12 0.77 -0.67 0.00 0.00 178.83 178.92 3ihf h SER 122 N 0.26 0.19 -0.25 1.46 0.02 -1.94 0.15 113.55 113.43 3ihf h SER 122 Ca 0.45 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.43 3ihf h SER 122 Cb 0.81 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 3ihf h SER 122 CO -0.55 0.14 0.10 0.15 -1.14 0.00 0.00 176.83 175.53 3ihf h PHE 123 N 0.26 0.19 -0.75 3.45 3.57 -1.25 -2.36 116.94 120.04 3ihf h PHE 123 Ca 0.09 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.71 3ihf h PHE 123 Cb 0.01 -0.05 -0.08 0.00 2.79 0.00 0.00 35.95 38.63 3ihf h PHE 123 CO -0.09 0.09 0.37 1.49 -2.23 0.00 0.00 178.31 177.95 3ihf h GLU 124 N 0.23 0.59 0.26 1.11 4.81 0.30 -1.09 114.58 120.79 3ihf h GLU 124 Ca 0.11 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3ihf h GLU 124 Cb 0.06 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.31 3ihf h GLU 124 CO -0.10 0.39 -0.12 0.37 -0.73 0.00 0.00 179.01 178.82 3ihf h GLN 125 N 0.61 -0.33 -0.42 1.92 4.15 -0.50 -0.89 115.11 119.63 3ihf h GLN 125 Ca 0.38 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.86 3ihf h GLN 125 Cb 0.44 0.08 -0.04 0.00 0.21 0.00 0.00 27.48 28.16 3ihf h GLN 125 CO -0.30 -0.17 0.18 0.28 -1.93 0.00 0.00 178.83 176.89 3ihf h VAL 126 N -0.42 0.92 -0.19 2.39 2.07 -1.29 -3.05 116.25 116.69 3ihf h VAL 126 Ca -0.04 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 3ihf h VAL 126 Cb 0.32 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3ihf h VAL 126 CO 0.06 0.07 -0.15 0.58 0.02 0.00 0.00 177.57 178.14 3ihf h VAL 127 N 0.37 1.21 -0.92 2.57 2.07 -1.08 -2.05 116.25 118.43 3ihf h VAL 127 Ca 0.19 -0.92 0.22 0.00 0.82 0.00 0.00 66.70 67.01 3ihf h VAL 127 Cb 0.13 1.23 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 3ihf h VAL 127 CO -0.16 0.29 0.61 0.78 0.02 0.00 0.00 177.57 179.11 3ihf h ASN 128 N 0.29 0.35 -0.25 0.57 -0.26 -1.05 -1.01 115.58 114.22 3ihf h ASN 128 Ca 0.06 0.04 -0.13 0.00 -0.56 0.00 0.00 56.30 55.70 3ihf h ASN 128 Cb 0.44 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.67 3ihf h ASN 128 CO 0.03 0.13 -0.33 -0.33 -1.06 0.00 0.00 177.43 175.87 3ihf h GLU 129 N 0.35 0.77 -0.37 0.81 4.39 -1.35 -2.36 114.58 116.81 3ihf h GLU 129 Ca 0.48 -0.36 0.07 0.00 0.34 0.00 0.00 59.36 59.89 3ihf h GLU 129 Cb 1.28 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.91 3ihf h GLU 129 CO -0.17 0.98 0.25 -0.07 -1.16 0.00 0.00 179.01 178.85 3ihf h LEU 130 N 0.64 0.16 -3.78 1.33 4.07 -1.19 -0.52 115.31 116.02 3ihf h LEU 130 Ca 0.07 0.00 -0.31 0.00 0.08 0.00 0.00 57.88 57.72 3ihf h LEU 130 Cb 0.86 -0.03 -0.19 0.00 1.08 0.00 0.00 40.66 42.38 3ihf h LEU 130 CO 0.08 0.10 0.37 0.49 -1.08 0.00 0.00 178.44 178.40 3ihf n PHE 131 N -4.47 2.50 -0.14 1.13 3.72 -1.02 -4.65 117.46 114.54 3ihf n PHE 131 Ca 0.05 -1.46 0.05 0.00 -0.05 0.00 0.00 57.45 56.03 3ihf n PHE 131 Cb 0.31 -0.75 0.35 0.00 -0.94 0.00 0.00 39.48 38.45 3ihf n PHE 131 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 3ihf h ARG 132 N 1.89 0.74 -0.38 -1.08 0.11 -0.57 -0.75 114.38 114.34 3ihf h ARG 132 Ca 0.39 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.42 3ihf h ARG 132 Cb 2.44 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 33.35 3ihf h ARG 132 CO 0.82 0.49 0.00 -0.25 0.10 0.00 0.00 179.97 181.13 3ihf n ASP 133 N -4.46 2.45 0.00 0.08 8.00 -1.26 -5.04 116.55 116.31 3ihf n ASP 133 Ca 0.08 -1.92 0.00 0.00 0.71 0.00 0.00 54.79 53.66 3ihf n ASP 133 Cb 0.14 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 3ihf n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ihf n GLY 134 N 1.26 -1.42 3.59 0.44 0.00 -0.29 -5.03 105.19 103.75 3ihf n GLY 134 Ca 0.16 -2.18 -0.34 0.00 0.00 0.00 0.00 46.02 43.67 3ihf n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ihf s VAL 135 N -0.37 4.15 0.35 1.61 1.01 -1.26 -4.67 120.40 121.22 3ihf s VAL 135 Ca 0.00 -0.29 -0.08 0.00 0.00 0.00 0.00 61.98 61.62 3ihf s VAL 135 Cb 0.00 -2.79 0.02 0.00 0.00 0.00 0.00 36.38 33.61 3ihf s VAL 135 CO 0.00 0.54 0.59 0.54 0.00 0.00 0.00 175.10 176.77 3ihf s ASN 136 N -0.18 0.53 0.17 3.32 4.22 -1.26 -5.02 114.94 116.72 3ihf s ASN 136 Ca 0.04 -1.32 -0.07 0.00 -2.14 0.00 0.00 52.86 49.37 3ihf s ASN 136 Cb -0.13 0.73 0.05 0.00 1.28 0.00 0.00 41.25 43.18 3ihf s ASN 136 CO 0.02 -1.43 1.49 -0.50 -2.04 0.00 0.00 177.10 174.64 3ihf h TRP 137 N 2.08 0.89 -0.70 1.54 4.06 -1.99 -2.06 115.95 119.77 3ihf h TRP 137 Ca -0.29 -0.29 0.13 0.00 2.06 0.00 0.00 58.89 60.49 3ihf h TRP 137 Cb 1.24 -0.18 -0.09 0.00 -1.00 0.00 0.00 29.16 29.14 3ihf h TRP 137 CO 1.38 1.07 0.26 0.78 -3.56 0.00 0.00 178.44 178.36 3ihf h GLY 138 N 0.91 1.03 1.44 1.49 0.00 -1.99 -0.89 103.07 105.05 3ihf h GLY 138 Ca 0.03 -0.13 -0.13 0.00 0.00 0.00 0.00 47.33 47.11 3ihf h GLY 138 CO 0.10 -0.08 -0.34 0.00 0.00 0.00 0.00 176.54 176.23 3ihf h ALA 139 N 1.51 0.87 -0.64 3.60 0.00 -1.76 -1.88 119.26 120.96 3ihf h ALA 139 Ca 0.38 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3ihf h ALA 139 Cb 0.54 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3ihf h ALA 139 CO -0.38 0.63 0.33 0.82 0.00 0.00 0.00 179.25 180.66 3ihf h ILE 140 N 0.53 1.21 -0.65 0.00 2.04 -1.20 0.33 117.51 119.77 3ihf h ILE 140 Ca 0.06 -0.54 -0.07 0.00 1.00 0.00 0.00 64.86 65.31 3ihf h ILE 140 Cb 0.84 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 3ihf h ILE 140 CO 0.07 0.23 0.14 0.58 0.00 0.00 0.00 178.15 179.18 3ihf h VAL 141 N 0.87 1.26 -0.54 1.67 2.07 -1.02 -1.85 116.25 118.71 3ihf h VAL 141 Ca 0.22 -0.96 0.04 0.00 0.82 0.00 0.00 66.70 66.82 3ihf h VAL 141 Cb 0.07 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 3ihf h VAL 141 CO -0.03 0.36 0.29 0.00 0.02 0.00 0.00 177.57 178.21 3ihf h ALA 142 N 1.05 0.69 0.35 1.67 0.00 -1.09 -1.09 119.26 120.85 3ihf h ALA 142 Ca 0.20 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3ihf h ALA 142 Cb 0.38 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3ihf h ALA 142 CO 0.00 -0.04 -0.43 0.35 0.00 0.00 0.00 179.25 179.13 3ihf h PHE 143 N 0.56 -1.18 -0.73 0.00 3.57 -0.72 0.17 116.94 118.61 3ihf h PHE 143 Ca 0.23 0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.89 3ihf h PHE 143 Cb 0.12 0.47 -0.10 0.00 2.79 0.00 0.00 35.95 39.23 3ihf h PHE 143 CO -0.09 -0.57 0.26 0.74 -2.23 0.00 0.00 178.31 176.41 3ihf h PHE 144 N -0.82 0.43 -0.15 0.41 0.04 -1.17 -2.55 116.94 113.12 3ihf h PHE 144 Ca -0.03 0.04 -0.08 0.00 2.80 0.00 0.00 57.97 60.70 3ihf h PHE 144 Cb 0.75 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.81 3ihf h PHE 144 CO -0.26 0.02 -0.28 0.77 -0.60 0.00 0.00 178.31 177.96 3ihf h SER 145 N 0.39 0.29 -0.44 2.17 0.02 -1.05 -1.02 113.55 113.90 3ihf h SER 145 Ca 0.40 -0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 61.21 3ihf h SER 145 Cb 0.62 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 3ihf h SER 145 CO -0.42 0.56 0.08 0.15 -1.14 0.00 0.00 176.83 176.07 3ihf h PHE 146 N 0.26 0.77 -0.12 3.45 3.57 -0.27 -1.13 116.94 123.47 3ihf h PHE 146 Ca 0.04 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 3ihf h PHE 146 Cb 0.63 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 3ihf h PHE 146 CO 0.01 0.72 0.04 0.78 -2.23 0.00 0.00 178.31 177.63 3ihf h GLY 147 N 0.59 0.19 -0.55 2.40 0.00 -1.31 -1.57 103.07 102.83 3ihf h GLY 147 Ca 0.14 -0.11 0.12 0.00 0.00 0.00 0.00 47.33 47.47 3ihf h GLY 147 CO 0.01 0.11 -0.35 -1.33 0.00 0.00 0.00 176.54 174.97 3ihf h GLY 148 N 0.01 -0.07 1.80 4.60 0.00 -1.17 -0.44 103.07 107.79 3ihf h GLY 148 Ca 0.04 0.45 -0.08 0.00 0.00 0.00 0.00 47.33 47.74 3ihf h GLY 148 CO -0.00 -0.21 -0.30 0.00 0.00 0.00 0.00 176.54 176.03 3ihf h ALA 149 N 1.08 1.26 -0.33 3.60 0.00 -0.82 -1.02 119.26 123.03 3ihf h ALA 149 Ca 0.26 -0.33 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 3ihf h ALA 149 Cb 0.56 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3ihf h ALA 149 CO -0.75 0.50 -0.47 -0.07 0.00 0.00 0.00 179.25 178.46 3ihf h LEU 150 N 0.21 0.96 -0.11 0.00 4.07 -0.90 -2.11 115.31 117.44 3ihf h LEU 150 Ca 0.03 -0.48 0.04 0.00 0.08 0.00 0.00 57.88 57.55 3ihf h LEU 150 Cb 0.64 -0.27 -0.06 0.00 1.08 0.00 0.00 40.66 42.05 3ihf h LEU 150 CO 0.05 1.27 -0.36 0.00 -1.08 0.00 0.00 178.44 178.33 3ihf h VAL 152 N -0.44 0.49 -0.43 0.00 2.07 -1.17 -1.77 116.25 115.00 3ihf h VAL 152 Ca 0.08 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.63 3ihf h VAL 152 Cb 0.58 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3ihf h VAL 152 CO -0.36 0.00 0.28 -0.08 0.02 0.00 0.00 177.57 177.44 3ihf h GLU 153 N -0.53 0.48 -0.09 1.57 4.81 -1.43 -1.04 114.58 118.36 3ihf h GLU 153 Ca -0.01 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3ihf h GLU 153 Cb 0.48 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 3ihf h GLU 153 CO -0.03 0.32 0.02 0.77 -0.73 0.00 0.00 179.01 179.35 3ihf h SER 154 N 0.49 0.14 0.39 1.04 0.02 -0.93 -1.07 113.55 113.63 3ihf h SER 154 Ca 0.17 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 3ihf h SER 154 Cb 0.07 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 3ihf h SER 154 CO -0.04 0.35 -0.24 0.58 -1.14 0.00 0.00 176.83 176.34 3ihf h VAL 155 N -0.09 0.50 -0.96 2.27 2.07 -0.96 0.33 116.25 119.42 3ihf h VAL 155 Ca 0.03 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.85 3ihf h VAL 155 Cb 0.27 0.50 -0.15 0.00 -1.52 0.00 0.00 31.29 30.39 3ihf h VAL 155 CO 0.00 0.00 0.39 -0.78 0.02 0.00 0.00 177.57 177.20 3ihf h ASP 156 N -0.61 0.21 -0.34 0.57 1.82 -1.25 0.46 116.42 117.28 3ihf h ASP 156 Ca -0.04 0.21 0.00 0.00 -0.39 0.00 0.00 57.03 56.81 3ihf h ASP 156 Cb 0.50 0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.74 3ihf h ASP 156 CO 0.04 -0.21 0.00 0.29 -1.61 0.00 0.00 179.24 177.76 3ihf n LYS 157 N -5.19 2.07 -3.19 0.28 5.02 -0.41 -4.94 118.16 111.80 3ihf n LYS 157 Ca 0.28 -1.34 -0.15 0.00 -2.02 0.00 0.00 58.31 55.07 3ihf n LYS 157 Cb 0.90 -1.41 0.06 0.00 -0.02 0.00 0.00 35.03 34.55 3ihf n LYS 157 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3ihf n GLU 158 N 0.49 -5.27 -2.62 1.97 -0.58 0.16 -4.93 120.64 109.87 3ihf n GLU 158 Ca 0.12 0.57 -0.12 0.00 -0.42 0.00 0.00 57.16 57.31 3ihf n GLU 158 Cb 0.39 -4.80 0.03 0.00 -0.57 0.00 0.00 31.44 26.49 3ihf n GLU 158 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3ihf n MET 159 N -3.49 1.74 0.23 3.49 2.81 0.11 -4.88 117.12 117.14 3ihf n MET 159 Ca -0.03 -3.56 0.16 0.00 -1.81 0.00 0.00 57.70 52.46 3ihf n MET 159 Cb 0.56 -1.51 0.70 0.00 -0.71 0.00 0.00 33.22 32.25 3ihf n MET 159 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 3ihf h GLN 160 N 2.85 0.00 -0.02 0.03 4.15 -1.86 0.16 115.11 120.42 3ihf h GLN 160 Ca -0.01 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.42 3ihf h GLN 160 Cb 1.14 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.83 3ihf h GLN 160 CO 0.55 0.00 0.02 -0.24 -1.93 0.00 0.00 178.83 177.23 3ihf h VAL 161 N 0.00 0.96 -0.02 2.39 3.04 -1.94 -2.68 116.25 118.01 3ihf h VAL 161 Ca 0.09 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.73 3ihf h VAL 161 Cb 1.03 0.99 -0.01 0.00 -2.01 0.00 0.00 31.29 31.29 3ihf h VAL 161 CO -0.00 0.00 -0.19 -0.07 -1.01 0.00 0.00 177.57 176.30 3ihf h LEU 162 N 0.00 0.03 0.14 3.16 3.38 -1.35 -3.29 115.31 117.38 3ihf h LEU 162 Ca 0.01 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3ihf h LEU 162 Cb 0.05 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 3ihf h LEU 162 CO -0.00 0.22 -0.46 0.58 0.09 0.00 0.00 178.44 178.87 3ihf h VAL 163 N 0.03 0.10 -0.31 1.22 2.07 -1.65 0.23 116.25 117.95 3ihf h VAL 163 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 3ihf h VAL 163 Cb 0.35 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 3ihf h VAL 163 CO 0.03 0.00 0.05 0.28 0.02 0.00 0.00 177.57 177.94 3ihf h SER 164 N -0.70 0.42 0.12 0.57 0.02 -1.78 -1.11 113.55 111.09 3ihf h SER 164 Ca 0.01 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 3ihf h SER 164 Cb 0.72 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.15 3ihf h SER 164 CO -0.25 0.45 -0.06 0.03 -1.14 0.00 0.00 176.83 175.86 3ihf h ARG 165 N 0.45 -0.15 -0.80 3.45 3.08 -1.45 -1.73 114.38 117.23 3ihf h ARG 165 Ca 0.10 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.28 3ihf h ARG 165 Cb 0.22 0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.22 3ihf h ARG 165 CO 0.00 0.12 0.42 0.82 -1.07 0.00 0.00 179.97 180.26 3ihf h ILE 166 N -0.41 0.82 -0.36 2.04 2.04 -0.33 0.46 117.51 121.77 3ihf h ILE 166 Ca -0.02 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 3ihf h ILE 166 Cb 0.34 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3ihf h ILE 166 CO 0.03 0.12 0.08 0.00 0.00 0.00 0.00 178.15 178.38 3ihf h ALA 167 N 1.49 0.47 -0.35 1.87 0.00 -1.12 0.13 119.26 121.75 3ihf h ALA 167 Ca 0.41 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3ihf h ALA 167 Cb 0.48 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3ihf h ALA 167 CO -0.30 0.15 -0.01 1.03 0.00 0.00 0.00 179.25 180.12 3ihf h SER 168 N 0.43 0.62 -0.64 0.00 0.87 -0.59 -2.38 113.55 111.86 3ihf h SER 168 Ca 0.11 -0.31 0.08 0.00 -1.23 0.00 0.00 61.79 60.44 3ihf h SER 168 Cb 0.31 -0.17 -0.07 0.00 -0.44 0.00 0.00 62.40 62.04 3ihf h SER 168 CO 0.00 0.78 0.29 -0.50 -0.53 0.00 0.00 176.83 176.88 3ihf h TRP 169 N 0.43 0.52 -0.83 2.24 6.55 -0.61 -1.58 115.95 122.67 3ihf h TRP 169 Ca 0.10 0.03 -0.01 0.00 0.95 0.00 0.00 58.89 59.96 3ihf h TRP 169 Cb 0.47 -0.14 -0.04 0.00 -0.86 0.00 0.00 29.16 28.59 3ihf h TRP 169 CO 0.04 0.19 0.50 0.52 -1.05 0.00 0.00 178.44 178.63 3ihf h MET 170 N 0.52 1.13 0.08 0.49 2.86 -0.58 0.15 114.93 119.58 3ihf h MET 170 Ca 0.31 -0.10 -0.27 0.00 -2.06 0.00 0.00 59.70 57.58 3ihf h MET 170 Cb 0.32 -0.24 0.01 0.00 0.06 0.00 0.00 31.60 31.76 3ihf h MET 170 CO -0.26 0.79 -1.14 0.00 1.06 0.00 0.00 176.91 177.36 3ihf h ALA 171 N 1.40 0.14 -0.07 6.32 0.00 -0.89 0.20 119.26 126.37 3ihf h ALA 171 Ca 0.30 -0.78 0.01 0.00 0.00 0.00 0.00 54.91 54.44 3ihf h ALA 171 Cb -0.04 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3ihf h ALA 171 CO -0.06 0.80 0.01 1.15 0.00 0.00 0.00 179.25 181.15 3ihf h THR 172 N 0.22 0.97 -0.42 0.00 2.02 -1.16 -1.94 112.91 112.59 3ihf h THR 172 Ca -0.14 -0.02 0.04 0.00 0.77 0.00 0.00 66.41 67.07 3ihf h THR 172 Cb 1.81 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 69.11 3ihf h THR 172 CO 0.21 0.01 0.19 0.22 0.37 0.00 0.00 175.52 176.51 3ihf h TYR 173 N 0.05 0.35 0.06 3.16 5.03 -0.73 0.17 116.97 125.05 3ihf h TYR 173 Ca 0.03 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.36 3ihf h TYR 173 Cb 0.02 -0.09 -0.00 0.00 1.55 0.00 0.00 36.73 38.21 3ihf h TYR 173 CO -0.10 0.16 -0.03 1.25 -1.32 0.00 0.00 178.16 178.12 3ihf h LEU 174 N 0.39 -0.08 -0.59 2.82 5.85 -0.95 0.42 115.31 123.17 3ihf h LEU 174 Ca 0.19 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 3ihf h LEU 174 Cb 0.13 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3ihf h LEU 174 CO -0.15 -0.06 0.27 0.78 -0.34 0.00 0.00 178.44 178.94 3ihf h ASN 175 N -0.09 0.78 0.59 1.25 -0.26 -1.08 0.53 115.58 117.30 3ihf h ASN 175 Ca -0.01 -0.14 -0.28 0.00 -0.56 0.00 0.00 56.30 55.31 3ihf h ASN 175 Cb 0.07 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.12 3ihf h ASN 175 CO 0.01 0.70 -1.40 0.44 -1.06 0.00 0.00 177.43 176.12 3ihf h ASP 176 N 0.80 0.27 0.00 5.81 3.45 -0.65 -3.39 116.42 122.71 3ihf h ASP 176 Ca 0.20 -0.36 -0.18 0.00 0.43 0.00 0.00 57.03 57.12 3ihf h ASP 176 Cb 0.14 -0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 38.79 3ihf h ASP 176 CO -0.02 1.30 -1.68 1.41 -1.57 0.00 0.00 179.24 178.67 3ihf n HIS 177 N -3.40 0.00 -0.07 4.55 8.25 0.13 -4.88 115.22 119.80 3ihf n HIS 177 Ca -0.12 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.23 3ihf n HIS 177 Cb 1.02 -0.48 -0.07 0.00 1.12 0.00 0.00 29.99 31.58 3ihf n HIS 177 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ihf n LEU 178 N -2.54 2.68 -0.33 2.41 4.77 -0.64 -4.67 117.00 118.68 3ihf n LEU 178 Ca -0.18 -0.03 0.10 0.00 -0.03 0.00 0.00 56.01 55.87 3ihf n LEU 178 Cb 0.79 -0.50 0.22 0.00 -2.33 0.00 0.00 43.42 41.60 3ihf n LEU 178 CO 0.18 0.68 0.76 -0.33 -1.33 0.00 0.00 177.39 177.35 3ihf h GLU 179 N -0.09 0.02 -0.76 3.23 4.39 -0.19 -1.04 114.58 120.14 3ihf h GLU 179 Ca -0.34 -0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.40 3ihf h GLU 179 Cb 1.48 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 30.08 3ihf h GLU 179 CO -0.08 0.01 0.47 -1.35 -1.16 0.00 0.00 179.01 176.90 3ihf h PRO 180 N 0.02 0.88 -0.76 2.33 0.11 -1.83 0.20 132.00 132.94 3ihf h PRO 180 Ca 0.53 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 66.63 3ihf h PRO 180 Cb 1.00 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 31.86 3ihf h PRO 180 CO -0.91 0.58 0.47 2.35 -0.21 0.00 0.00 178.00 180.28 3ihf h TRP 181 N 0.90 0.88 -0.16 0.65 7.01 -1.51 -2.22 115.95 121.50 3ihf h TRP 181 Ca 0.31 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.32 3ihf h TRP 181 Cb 0.06 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 26.83 3ihf h TRP 181 CO -0.04 0.49 0.05 0.82 -2.79 0.00 0.00 178.44 176.97 3ihf h ILE 182 N 0.91 1.18 -0.69 2.65 2.04 -0.77 0.44 117.51 123.27 3ihf h ILE 182 Ca 0.31 -0.56 0.08 0.00 1.00 0.00 0.00 64.86 65.69 3ihf h ILE 182 Cb 0.06 1.25 -0.07 0.00 -0.74 0.00 0.00 36.82 37.33 3ihf h ILE 182 CO -0.13 0.17 0.35 1.56 0.00 0.00 0.00 178.15 180.10 3ihf h GLN 183 N 0.08 0.59 0.00 2.37 1.08 -0.49 0.24 115.11 118.99 3ihf h GLN 183 Ca 0.05 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 3ihf h GLN 183 Cb 0.22 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 3ihf h GLN 183 CO -0.00 0.39 -0.13 1.05 -0.95 0.00 0.00 178.83 179.19 3ihf h GLU 184 N 0.61 0.00 -0.62 1.46 4.11 -1.22 -3.31 114.58 115.62 3ihf h GLU 184 Ca 0.33 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.56 3ihf h GLU 184 Cb 0.31 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.44 3ihf h GLU 184 CO -0.24 0.00 0.20 0.09 0.07 0.00 0.00 179.01 179.13 3ihf n ASN 185 N -2.94 4.21 0.00 3.06 3.02 0.13 -4.84 115.26 117.90 3ihf n ASN 185 Ca 0.04 -3.32 0.00 0.00 -0.03 0.00 0.00 54.58 51.27 3ihf n ASN 185 Cb 0.52 -0.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 3ihf n ASN 185 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ihf n GLY 186 N -0.46 1.03 4.52 7.41 0.00 -1.20 -4.89 105.19 111.60 3ihf n GLY 186 Ca 0.38 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.46 3ihf n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ihf n GLY 187 N -1.29 -1.58 0.18 -0.02 0.00 0.83 -2.96 105.19 100.36 3ihf n GLY 187 Ca 0.00 -1.18 0.03 0.00 0.00 0.00 0.00 46.02 44.87 3ihf n GLY 187 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3ihf h TRP 188 N -0.40 0.00 -0.96 1.61 4.06 -1.94 -2.27 115.95 116.05 3ihf h TRP 188 Ca 0.01 0.00 0.24 0.00 2.06 0.00 0.00 58.89 61.20 3ihf h TRP 188 Cb 0.39 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.48 3ihf h TRP 188 CO 0.00 0.41 0.64 0.22 -3.56 0.00 0.00 178.44 176.16 3ihf h ASP 189 N 0.00 0.32 1.23 -3.49 3.58 -1.94 -0.34 116.42 115.78 3ihf h ASP 189 Ca -0.00 0.04 -0.13 0.00 0.42 0.00 0.00 57.03 57.36 3ihf h ASP 189 Cb 0.78 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.80 3ihf h ASP 189 CO 0.05 0.10 -0.62 0.74 -2.88 0.00 0.00 179.24 176.64 3ihf h THR 190 N 0.31 1.12 -0.43 2.25 2.02 -1.29 -3.14 112.91 113.74 3ihf h THR 190 Ca 0.50 -2.43 -0.13 0.00 0.77 0.00 0.00 66.41 65.12 3ihf h THR 190 Cb 1.43 2.45 -0.01 0.00 -1.74 0.00 0.00 68.15 70.28 3ihf h THR 190 CO -0.17 0.61 -0.22 0.15 0.37 0.00 0.00 175.52 176.26 3ihf h PHE 191 N 0.00 1.05 -0.24 3.16 3.57 -1.12 -3.15 116.94 120.21 3ihf h PHE 191 Ca -0.01 -0.27 0.01 0.00 3.53 0.00 0.00 57.97 61.24 3ihf h PHE 191 Cb 1.40 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 3ihf h PHE 191 CO 0.00 1.06 0.16 0.28 -2.23 0.00 0.00 178.31 177.58 3ihf h VAL 192 N 0.74 1.05 0.00 1.41 2.07 -1.35 -1.00 116.25 119.16 3ihf h VAL 192 Ca 0.09 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3ihf h VAL 192 Cb 0.79 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 3ihf h VAL 192 CO 0.07 0.05 -0.32 0.44 0.02 0.00 0.00 177.57 177.83 3ihf h ASP 193 N 0.30 0.00 0.40 0.57 3.32 -1.52 1.51 116.42 121.00 3ihf h ASP 193 Ca 0.09 -0.03 -0.28 0.00 0.02 0.00 0.00 57.03 56.84 3ihf h ASP 193 Cb 0.01 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.51 3ihf h ASP 193 CO -0.02 0.02 -1.83 0.18 -1.72 0.00 0.00 179.24 175.87 3ihf n LEU 194 N -2.70 0.63 0.00 1.55 4.77 -1.09 -4.72 117.00 115.44 3ihf n LEU 194 Ca 0.03 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 3ihf n LEU 194 Cb 0.50 0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 3ihf n LEU 194 CO 0.35 0.35 0.06 -1.22 -1.33 0.00 0.00 177.39 175.60 3ihf n TYR 195 N -2.91 0.00 1.14 -1.77 4.02 -0.40 -5.12 117.16 112.12 3ihf n TYR 195 Ca -0.19 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 57.79 3ihf n TYR 195 Cb 1.02 0.00 0.54 0.00 -0.02 0.00 0.00 39.34 40.88 3ihf n TYR 195 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26