#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kti h ILE 19 N 0.00 0.18 0.00 5.18 6.09 -2.06 -3.20 117.51 123.70 3kti h ILE 19 Ca 0.00 -0.96 -0.27 0.00 -1.37 0.00 0.00 64.86 62.26 3kti h ILE 19 Cb 0.00 1.82 -0.05 0.00 0.47 0.00 0.00 36.82 39.06 3kti h ILE 19 CO 0.00 0.08 -1.65 -1.22 -3.07 0.00 0.00 178.15 172.29 3kti n TYR 20 N -3.16 1.01 -0.18 2.19 4.01 -1.26 -3.42 117.16 116.35 3kti n TYR 20 Ca 0.02 0.36 -0.03 0.00 -0.16 0.00 0.00 57.90 58.09 3kti n TYR 20 Cb 0.45 -1.17 0.17 0.00 -0.31 0.00 0.00 39.34 38.48 3kti n TYR 20 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3kti h SER 21 N 0.00 0.86 -0.46 7.72 4.64 -1.97 0.12 113.55 124.47 3kti h SER 21 Ca -0.26 -0.13 -0.10 0.00 -0.47 0.00 0.00 61.79 60.83 3kti h SER 21 Cb 1.94 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 63.78 3kti h SER 21 CO 0.07 0.79 -0.07 -0.09 -0.87 0.00 0.00 176.83 176.67 3kti h ARG 22 N 0.91 0.91 -0.46 4.77 9.65 -1.67 -1.19 114.38 127.29 3kti h ARG 22 Ca 0.21 -0.30 -0.08 0.00 -1.10 0.00 0.00 59.98 58.70 3kti h ARG 22 Cb 0.23 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.71 3kti h ARG 22 CO -0.01 0.95 -0.04 -0.07 2.80 0.00 0.00 179.97 183.59 3kti h LEU 23 N 0.82 0.83 -1.08 3.80 3.38 -1.35 -2.61 115.31 119.11 3kti h LEU 23 Ca 0.14 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3kti h LEU 23 Cb 0.59 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 3kti h LEU 23 CO 0.04 0.96 0.45 0.25 0.09 0.00 0.00 178.44 180.23 3kti h LEU 24 N 0.68 0.97 -2.26 1.67 6.46 -0.55 -0.36 115.31 121.93 3kti h LEU 24 Ca 0.12 -0.07 0.03 0.00 -0.12 0.00 0.00 57.88 57.84 3kti h LEU 24 Cb 0.56 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 40.24 3kti h LEU 24 CO 0.03 0.77 0.08 0.50 -0.62 0.00 0.00 178.44 179.20 3kti h LYS 25 N 1.11 0.00 -0.64 1.25 3.64 -0.84 0.21 116.57 121.30 3kti h LYS 25 Ca 0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3kti h LYS 25 Cb -0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3kti h LYS 25 CO -0.05 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 176.88 3kti n ASP 26 N -4.04 4.92 -2.70 4.20 9.92 -0.25 -4.93 116.55 123.67 3kti n ASP 26 Ca -0.01 -2.60 -0.18 0.00 -0.53 0.00 0.00 54.79 51.48 3kti n ASP 26 Cb 0.19 -0.61 0.05 0.00 -0.64 0.00 0.00 41.12 40.11 3kti n ASP 26 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3kti n ARG 27 N 0.90 -5.36 -4.23 -1.24 1.74 0.75 -4.92 116.66 104.30 3kti n ARG 27 Ca 0.25 0.65 -0.34 0.00 -0.77 0.00 0.00 57.85 57.64 3kti n ARG 27 Cb 0.97 -5.08 -0.14 0.00 -1.02 0.00 0.00 32.46 27.18 3kti n ARG 27 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3kti s ILE 28 N -3.18 3.03 -0.13 0.55 1.01 -0.56 -1.46 121.20 120.46 3kti s ILE 28 Ca 0.38 -0.63 -0.04 0.00 0.00 0.00 0.00 60.65 60.36 3kti s ILE 28 Cb -0.17 -2.33 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 3kti s ILE 28 CO 0.47 0.48 0.01 -0.63 0.00 0.00 0.00 174.94 175.27 3kti s ILE 29 N 1.08 4.37 -0.38 2.92 1.01 0.71 -3.36 121.20 127.53 3kti s ILE 29 Ca 0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 60.65 60.34 3kti s ILE 29 Cb -0.15 -2.90 0.04 0.00 0.01 0.00 0.00 42.46 39.47 3kti s ILE 29 CO -0.02 0.54 0.22 -0.04 0.00 0.00 0.00 174.94 175.63 3kti s MET 30 N -0.20 2.76 -0.94 2.79 -1.94 -1.26 -0.93 119.30 119.58 3kti s MET 30 Ca 0.06 -1.18 -0.09 0.00 -1.71 0.00 0.00 55.69 52.77 3kti s MET 30 Cb -0.12 -3.74 0.24 0.00 2.01 0.00 0.00 34.83 33.22 3kti s MET 30 CO 0.02 -0.76 0.89 -1.17 -0.01 0.00 0.00 175.02 173.98 3kti s LEU 31 N 1.52 6.23 -0.42 -0.03 2.96 -0.21 -4.89 118.68 123.83 3kti s LEU 31 Ca 0.02 -3.28 0.05 0.00 -0.22 0.00 0.00 54.13 50.70 3kti s LEU 31 Cb -0.20 -2.12 0.43 0.00 0.50 0.00 0.00 46.19 44.79 3kti s LEU 31 CO 0.05 -0.36 1.18 0.61 -1.32 0.00 0.00 176.35 176.51 3kti n GLY 32 N 3.09 6.08 3.82 7.98 0.00 -1.26 -1.86 105.19 123.05 3kti n GLY 32 Ca 0.19 -2.73 -0.06 0.00 0.00 0.00 0.00 46.02 43.42 3kti n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kti s SER 33 N -3.43 -0.11 0.43 1.61 1.04 -1.20 -4.89 113.70 107.14 3kti s SER 33 Ca 0.49 -0.73 -0.25 0.00 0.48 0.00 0.00 55.95 55.94 3kti s SER 33 Cb 0.41 0.66 -0.08 0.00 0.10 0.00 0.00 66.02 67.11 3kti s SER 33 CO -0.14 -1.28 1.35 0.00 0.98 0.00 0.00 173.24 174.15 3kti s ALA 34 N -2.96 3.22 -0.18 5.32 0.00 -1.26 -4.50 121.76 121.39 3kti s ALA 34 Ca 0.15 1.32 -0.24 0.00 0.00 0.00 0.00 51.96 53.19 3kti s ALA 34 Cb -0.04 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.53 3kti s ALA 34 CO 0.07 -1.00 0.78 0.42 0.00 0.00 0.00 175.76 176.03 3kti s ILE 35 N -1.25 4.92 0.28 0.00 1.01 0.12 -4.89 121.20 121.39 3kti s ILE 35 Ca 0.60 1.51 0.04 0.00 0.00 0.00 0.00 60.65 62.80 3kti s ILE 35 Cb -0.40 -4.09 -0.03 0.00 0.01 0.00 0.00 42.46 37.95 3kti s ILE 35 CO 0.51 0.05 0.21 1.51 0.00 0.00 0.00 174.94 177.22 3kti s ASP 36 N 1.17 1.07 0.19 3.58 3.84 -1.26 -1.18 116.67 124.07 3kti s ASP 36 Ca 0.36 -1.60 -0.14 0.00 -0.00 0.00 0.00 52.55 51.16 3kti s ASP 36 Cb -0.16 0.48 0.18 0.00 -1.38 0.00 0.00 42.92 42.03 3kti s ASP 36 CO 0.12 -0.97 1.68 0.44 -0.00 0.00 0.00 175.17 176.44 3kti h ASP 37 N 2.33 -0.25 -0.41 2.11 3.45 -1.96 0.42 116.42 122.12 3kti h ASP 37 Ca -0.30 0.12 0.05 0.00 0.43 0.00 0.00 57.03 57.33 3kti h ASP 37 Cb 1.24 0.22 -0.04 0.00 -0.56 0.00 0.00 39.33 40.19 3kti h ASP 37 CO 0.44 -0.09 0.15 0.78 -1.57 0.00 0.00 179.24 178.95 3kti h ASN 38 N 0.09 0.17 -0.20 6.45 -0.26 -1.98 0.40 115.58 120.25 3kti h ASN 38 Ca 0.25 0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 56.02 3kti h ASN 38 Cb 0.37 0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.65 3kti h ASN 38 CO -0.43 0.13 0.10 0.58 -1.06 0.00 0.00 177.43 176.75 3kti h VAL 39 N 0.32 1.13 -0.15 2.81 2.07 -1.74 -1.50 116.25 119.18 3kti h VAL 39 Ca 0.19 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.38 3kti h VAL 39 Cb 0.16 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 3kti h VAL 39 CO -0.18 0.12 -0.04 0.00 0.02 0.00 0.00 177.57 177.49 3kti h ALA 40 N 0.97 0.10 -0.90 1.67 0.00 -0.30 -0.49 119.26 120.31 3kti h ALA 40 Ca 0.07 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3kti h ALA 40 Cb 0.10 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 3kti h ALA 40 CO -0.01 -0.48 0.59 -0.91 0.00 0.00 0.00 179.25 178.44 3kti h ASN 41 N -0.00 0.97 -0.22 0.00 2.35 -0.08 0.55 115.58 119.13 3kti h ASN 41 Ca 0.07 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 3kti h ASN 41 Cb 0.11 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 3kti h ASN 41 CO -0.15 0.66 0.06 -1.28 -1.65 0.00 0.00 177.43 175.07 3kti h SER 42 N 1.12 0.33 -0.56 5.81 0.87 -0.67 -1.64 113.55 118.80 3kti h SER 42 Ca 0.36 -0.22 -0.03 0.00 -1.23 0.00 0.00 61.79 60.67 3kti h SER 42 Cb 0.02 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 3kti h SER 42 CO -0.11 0.47 0.25 0.40 -0.53 0.00 0.00 176.83 177.32 3kti h ILE 43 N 0.18 1.21 -0.81 2.23 1.08 -0.48 -1.76 117.51 119.17 3kti h ILE 43 Ca 0.07 -0.62 0.01 0.00 -0.39 0.00 0.00 64.86 63.93 3kti h ILE 43 Cb 0.26 0.58 -0.04 0.00 -3.07 0.00 0.00 36.82 34.55 3kti h ILE 43 CO 0.00 0.25 0.54 0.58 -0.69 0.00 0.00 178.15 178.82 3kti h VAL 44 N 0.77 1.20 -0.58 1.67 2.07 -0.84 -0.76 116.25 119.77 3kti h VAL 44 Ca 0.19 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 3kti h VAL 44 Cb 0.15 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.91 3kti h VAL 44 CO -0.02 0.20 0.23 0.28 0.02 0.00 0.00 177.57 178.28 3kti h SER 45 N 1.09 0.80 -0.55 0.57 0.02 -0.96 -1.68 113.55 112.84 3kti h SER 45 Ca 0.30 -0.17 -0.10 0.00 -0.84 0.00 0.00 61.79 60.98 3kti h SER 45 Cb -0.11 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.20 3kti h SER 45 CO -0.07 0.76 -0.02 1.56 -1.14 0.00 0.00 176.83 177.91 3kti h GLN 46 N 0.80 1.02 -0.46 3.45 4.20 -0.90 -0.26 115.11 122.95 3kti h GLN 46 Ca 0.19 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.56 3kti h GLN 46 Cb 0.21 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 3kti h GLN 46 CO -0.02 1.01 0.22 -0.07 -0.67 0.00 0.00 178.83 179.30 3kti h LEU 47 N 0.93 0.61 -0.46 1.46 3.38 -0.86 0.57 115.31 120.94 3kti h LEU 47 Ca 0.16 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3kti h LEU 47 Cb 0.57 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3kti h LEU 47 CO 0.03 0.58 0.04 -0.07 0.09 0.00 0.00 178.44 179.11 3kti h LEU 48 N 0.61 0.76 0.71 1.67 3.38 -1.15 -0.90 115.31 120.38 3kti h LEU 48 Ca 0.16 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3kti h LEU 48 Cb 0.13 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3kti h LEU 48 CO -0.02 0.85 -0.41 0.15 0.09 0.00 0.00 178.44 179.11 3kti h PHE 49 N 0.64 -1.08 -0.89 1.13 3.57 -0.78 -0.72 116.94 118.81 3kti h PHE 49 Ca 0.13 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.69 3kti h PHE 49 Cb 0.44 0.38 -0.06 0.00 2.79 0.00 0.00 35.95 39.50 3kti h PHE 49 CO 0.03 -0.63 0.58 -0.07 -2.23 0.00 0.00 178.31 175.99 3kti h LEU 50 N -1.04 0.86 -1.12 0.59 3.38 -0.87 0.52 115.31 117.63 3kti h LEU 50 Ca -0.09 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 3kti h LEU 50 Cb 0.83 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3kti h LEU 50 CO 0.11 0.54 -0.33 0.00 0.09 0.00 0.00 178.44 178.85 3kti h ALA 51 N 1.53 1.26 -0.15 1.53 0.00 -0.99 -2.04 119.26 120.40 3kti h ALA 51 Ca 0.39 -0.34 -0.22 0.00 0.00 0.00 0.00 54.91 54.74 3kti h ALA 51 Cb 0.26 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.98 3kti h ALA 51 CO -0.15 0.51 -0.75 0.00 0.00 0.00 0.00 179.25 178.85 3kti h ALA 52 N 1.49 0.29 -0.82 0.00 0.00 0.47 -1.40 119.26 119.30 3kti h ALA 52 Ca 0.02 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 3kti h ALA 52 Cb 0.67 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 3kti h ALA 52 CO 0.05 0.65 0.41 0.93 0.00 0.00 0.00 179.25 181.29 3kti h GLU 53 N 0.50 1.16 -0.81 0.00 4.39 -0.69 -3.41 114.58 115.73 3kti h GLU 53 Ca -0.05 -0.16 0.01 0.00 0.34 0.00 0.00 59.36 59.50 3kti h GLU 53 Cb 1.38 -0.22 -0.19 0.00 -0.10 0.00 0.00 28.75 29.62 3kti h GLU 53 CO 0.16 0.88 -0.34 0.34 -1.16 0.00 0.00 179.01 178.88 3kti s ASP 54 N -6.21 -1.26 0.00 1.42 3.68 -0.79 -5.02 116.67 108.49 3kti s ASP 54 Ca -0.13 -0.42 0.07 0.00 2.13 0.00 0.00 52.55 54.20 3kti s ASP 54 Cb 0.16 1.65 0.40 0.00 -1.45 0.00 0.00 42.92 43.68 3kti s ASP 54 CO 0.82 -0.16 0.82 -0.81 0.13 0.00 0.00 175.17 175.96 3kti n PRO 55 N 4.53 0.26 -0.07 4.34 -0.04 -0.53 -2.57 135.00 140.92 3kti n PRO 55 Ca 0.09 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.46 3kti n PRO 55 Cb 0.58 -1.41 -0.07 0.00 -0.04 0.00 0.00 33.50 32.55 3kti n PRO 55 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3kti n GLU 56 N -0.91 1.02 -2.23 0.54 -0.58 -1.26 -3.06 120.64 114.16 3kti n GLU 56 Ca 0.05 0.05 -0.42 0.00 -0.42 0.00 0.00 57.16 56.43 3kti n GLU 56 Cb 0.02 -1.29 -0.03 0.00 -0.57 0.00 0.00 31.44 29.57 3kti n GLU 56 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3kti s LYS 57 N -2.28 4.38 0.75 3.49 2.47 -1.06 -4.77 119.74 122.72 3kti s LYS 57 Ca -0.14 2.03 -0.13 0.00 -1.56 0.00 0.00 55.97 56.17 3kti s LYS 57 Cb 0.04 -3.22 0.05 0.00 -1.46 0.00 0.00 37.83 33.24 3kti s LYS 57 CO 0.38 -0.29 1.13 -1.83 0.16 0.00 0.00 175.35 174.90 3kti s GLU 58 N 0.26 2.19 0.11 4.03 -1.05 -1.26 -4.62 118.70 118.36 3kti s GLU 58 Ca 0.59 1.42 0.10 0.00 -0.15 0.00 0.00 54.97 56.93 3kti s GLU 58 Cb -0.36 -1.87 -0.04 0.00 -0.44 0.00 0.00 34.13 31.42 3kti s GLU 58 CO 0.35 -1.73 -0.25 0.42 0.95 0.00 0.00 175.26 175.00 3kti s ILE 59 N -2.50 2.33 -0.16 1.83 1.01 -0.37 -4.92 121.20 118.43 3kti s ILE 59 Ca 0.67 -1.64 0.02 0.00 0.00 0.00 0.00 60.65 59.69 3kti s ILE 59 Cb -0.22 -2.02 0.01 0.00 0.01 0.00 0.00 42.46 40.25 3kti s ILE 59 CO 0.50 0.15 -0.21 -0.44 0.00 0.00 0.00 174.94 174.94 3kti s SER 60 N -1.90 3.08 -0.40 3.58 0.01 -0.54 -0.27 113.70 117.27 3kti s SER 60 Ca 0.14 -0.62 -0.09 0.00 1.31 0.00 0.00 55.95 56.69 3kti s SER 60 Cb -0.10 -1.44 0.06 0.00 0.21 0.00 0.00 66.02 64.75 3kti s SER 60 CO 0.06 0.04 0.22 -0.22 0.41 0.00 0.00 173.24 173.75 3kti s LEU 61 N 1.05 4.93 0.05 2.44 2.96 0.41 -0.21 118.68 130.30 3kti s LEU 61 Ca -0.01 -1.34 -0.27 0.00 -0.22 0.00 0.00 54.13 52.29 3kti s LEU 61 Cb -0.14 -1.98 -0.05 0.00 0.50 0.00 0.00 46.19 44.52 3kti s LEU 61 CO -0.07 -0.47 0.85 -0.31 -1.32 0.00 0.00 176.35 175.03 3kti s TYR 62 N 1.45 3.73 -0.11 5.38 1.51 -0.11 -1.91 117.35 127.29 3kti s TYR 62 Ca 0.02 1.59 0.01 0.00 -1.01 0.00 0.00 57.07 57.68 3kti s TYR 62 Cb -0.22 -2.94 0.02 0.00 -0.11 0.00 0.00 41.96 38.72 3kti s TYR 62 CO 0.03 0.19 -0.11 0.42 -1.11 0.00 0.00 175.55 174.97 3kti s ILE 63 N 0.20 1.23 -0.42 2.71 1.01 0.54 -1.04 121.20 125.44 3kti s ILE 63 Ca 0.43 -0.45 0.04 0.00 0.00 0.00 0.00 60.65 60.67 3kti s ILE 63 Cb -0.21 -1.18 0.17 0.00 0.01 0.00 0.00 42.46 41.24 3kti s ILE 63 CO 0.25 0.40 0.39 0.21 0.00 0.00 0.00 174.94 176.19 3kti s ASN 64 N 1.36 1.11 0.00 3.58 2.47 -0.78 -0.17 114.94 122.51 3kti s ASN 64 Ca -0.00 -2.69 -0.02 0.00 0.42 0.00 0.00 52.86 50.57 3kti s ASN 64 Cb -0.14 -0.02 -0.01 0.00 -1.45 0.00 0.00 41.25 39.64 3kti s ASN 64 CO -0.06 -0.17 0.02 -0.55 -3.72 0.00 0.00 177.10 172.63 3kti s SER 65 N 0.37 0.09 0.00 -4.21 0.15 0.46 -3.28 113.70 107.28 3kti s SER 65 Ca 0.30 -0.22 0.22 0.00 0.70 0.00 0.00 55.95 56.96 3kti s SER 65 Cb -0.01 0.11 0.82 0.00 -1.71 0.00 0.00 66.02 65.24 3kti s SER 65 CO -0.15 -0.19 1.59 -0.81 1.20 0.00 0.00 173.24 174.89 3kti n PRO 66 N 2.19 1.69 0.00 5.44 -0.04 -1.26 -1.40 135.00 141.62 3kti n PRO 66 Ca -0.19 -1.03 0.00 0.00 -0.04 0.00 0.00 63.50 62.24 3kti n PRO 66 Cb 0.57 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 3kti n PRO 66 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kti n GLY 67 N 1.13 -0.74 0.00 0.55 0.00 -1.13 -4.44 105.19 100.56 3kti n GLY 67 Ca 0.17 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.48 3kti n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kti n GLY 68 N 0.00 -0.42 3.78 -0.02 0.00 -1.26 0.15 105.19 107.43 3kti n GLY 68 Ca 0.00 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 3kti n GLY 68 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kti s SER 69 N -4.00 6.33 0.04 1.61 0.15 -0.33 -4.77 113.70 112.74 3kti s SER 69 Ca 0.00 3.06 -0.17 0.00 0.70 0.00 0.00 55.95 59.54 3kti s SER 69 Cb 0.00 -2.67 -0.19 0.00 -1.71 0.00 0.00 66.02 61.45 3kti s SER 69 CO 0.00 -0.89 1.20 0.40 1.20 0.00 0.00 173.24 175.16 3kti h ILE 70 N 2.99 1.36 -0.55 6.45 2.04 -1.98 -1.81 117.51 126.01 3kti h ILE 70 Ca -0.51 -1.94 -0.09 0.00 1.00 0.00 0.00 64.86 63.32 3kti h ILE 70 Cb 1.24 2.28 -0.02 0.00 -0.74 0.00 0.00 36.82 39.58 3kti h ILE 70 CO 0.65 0.58 -0.02 0.71 0.00 0.00 0.00 178.15 180.07 3kti h THR 71 N 0.14 1.27 -0.43 -0.27 1.35 -1.98 0.16 112.91 113.14 3kti h THR 71 Ca -0.05 -1.14 -0.04 0.00 -0.55 0.00 0.00 66.41 64.62 3kti h THR 71 Cb 1.26 0.90 -0.02 0.00 -1.73 0.00 0.00 68.15 68.57 3kti h THR 71 CO 0.12 0.41 0.10 0.00 -0.25 0.00 0.00 175.52 175.90 3kti h ALA 72 N 0.95 0.56 -0.78 6.62 0.00 -1.91 -0.98 119.26 123.72 3kti h ALA 72 Ca 0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3kti h ALA 72 Cb 0.56 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3kti h ALA 72 CO 0.03 0.25 0.47 0.78 0.00 0.00 0.00 179.25 180.78 3kti h GLY 73 N 0.55 1.14 1.96 0.00 0.00 -1.06 -1.85 103.07 103.81 3kti h GLY 73 Ca 0.13 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.92 3kti h GLY 73 CO 0.00 0.46 -0.29 -0.33 0.00 0.00 0.00 176.54 176.38 3kti h MET 74 N 1.07 0.05 -0.91 4.80 2.86 -0.39 -0.48 114.93 121.94 3kti h MET 74 Ca 0.28 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.89 3kti h MET 74 Cb -0.03 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.58 3kti h MET 74 CO -0.05 0.35 0.50 0.00 1.06 0.00 0.00 176.91 178.77 3kti h ALA 75 N 1.66 1.17 -0.09 6.32 0.00 -0.36 0.90 119.26 128.85 3kti h ALA 75 Ca 0.01 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3kti h ALA 75 Cb 0.55 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3kti h ALA 75 CO 0.04 0.67 -0.14 0.82 0.00 0.00 0.00 179.25 180.64 3kti h ILE 76 N 1.27 1.39 -0.41 0.00 2.04 -0.93 -2.85 117.51 118.02 3kti h ILE 76 Ca 0.32 -1.38 0.07 0.00 1.00 0.00 0.00 64.86 64.88 3kti h ILE 76 Cb 0.02 2.08 -0.07 0.00 -0.74 0.00 0.00 36.82 38.12 3kti h ILE 76 CO -0.05 0.39 0.00 0.22 0.00 0.00 0.00 178.15 178.71 3kti h TYR 77 N -0.19 -0.02 0.00 1.37 3.20 -0.74 -1.15 116.97 119.44 3kti h TYR 77 Ca 0.01 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 3kti h TYR 77 Cb 0.69 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 3kti h TYR 77 CO 0.10 -0.08 -0.28 -0.44 -1.64 0.00 0.00 178.16 175.82 3kti h ASP 78 N 0.11 0.00 0.25 -2.11 3.45 -0.87 -2.24 116.42 115.02 3kti h ASP 78 Ca 0.20 0.00 -0.25 0.00 0.43 0.00 0.00 57.03 57.41 3kti h ASP 78 Cb 0.29 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 39.07 3kti h ASP 78 CO -0.33 0.28 -1.04 0.74 -1.57 0.00 0.00 179.24 177.32 3kti h THR 79 N 0.00 1.36 -0.79 0.35 2.02 -1.17 -1.36 112.91 113.32 3kti h THR 79 Ca -0.00 -2.46 -0.03 0.00 0.77 0.00 0.00 66.41 64.69 3kti h THR 79 Cb 0.52 2.50 -0.04 0.00 -1.74 0.00 0.00 68.15 69.39 3kti h THR 79 CO 0.04 0.74 0.38 0.24 0.37 0.00 0.00 175.52 177.28 3kti h MET 80 N 0.26 1.14 0.02 6.66 2.86 -0.91 -2.16 114.93 122.80 3kti h MET 80 Ca -0.11 -0.16 -0.20 0.00 -2.06 0.00 0.00 59.70 57.16 3kti h MET 80 Cb 1.69 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 33.13 3kti h MET 80 CO 0.19 0.88 -0.93 1.96 1.06 0.00 0.00 176.91 180.06 3kti h GLN 81 N 1.13 0.14 -0.02 1.72 1.08 -1.39 -3.35 115.11 114.41 3kti h GLN 81 Ca 0.27 -0.17 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 3kti h GLN 81 Cb 0.12 0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.60 3kti h GLN 81 CO -0.03 0.97 -0.01 0.35 -0.95 0.00 0.00 178.83 179.16 3kti h PHE 82 N 0.07 0.05 -4.17 2.96 3.57 -0.87 -3.45 116.94 115.09 3kti h PHE 82 Ca -0.04 -0.01 -0.53 0.00 3.53 0.00 0.00 57.97 60.92 3kti h PHE 82 Cb 1.60 -0.01 0.14 0.00 2.79 0.00 0.00 35.95 40.46 3kti h PHE 82 CO 0.02 0.44 0.40 0.96 -2.23 0.00 0.00 178.31 177.91 3kti s ILE 83 N -4.58 2.53 0.16 1.41 -4.36 -0.84 -4.96 121.20 110.55 3kti s ILE 83 Ca -0.15 0.27 -0.08 0.00 -0.26 0.00 0.00 60.65 60.43 3kti s ILE 83 Cb 0.03 -2.87 -0.07 0.00 1.25 0.00 0.00 42.46 40.80 3kti s ILE 83 CO 0.68 -0.13 1.46 0.11 0.24 0.00 0.00 174.94 177.30 3kti h LYS 84 N -0.02 0.75 -7.02 0.37 1.79 -1.88 -3.45 116.57 107.11 3kti h LYS 84 Ca -0.48 -0.46 -0.54 0.00 -2.18 0.00 0.00 60.65 56.99 3kti h LYS 84 Cb 1.29 0.05 0.13 0.00 -1.58 0.00 0.00 32.23 32.11 3kti h LYS 84 CO 0.51 1.08 0.65 -2.14 -1.08 0.00 0.00 179.45 178.47 3kti s PRO 85 N -4.12 3.42 -0.01 3.15 0.02 -1.17 -4.91 135.00 131.38 3kti s PRO 85 Ca -0.09 2.30 -0.26 0.00 0.02 0.00 0.00 61.00 62.97 3kti s PRO 85 Cb 0.11 -2.45 -0.04 0.00 0.02 0.00 0.00 34.50 32.14 3kti s PRO 85 CO 0.87 -0.99 0.81 0.15 -0.33 0.00 0.00 177.00 177.51 3kti s LYS 86 N -2.68 4.50 -0.35 5.54 1.02 -1.26 -4.85 119.74 121.65 3kti s LYS 86 Ca 0.66 1.11 -0.12 0.00 0.02 0.00 0.00 55.97 57.64 3kti s LYS 86 Cb -0.41 -3.43 -0.00 0.00 -0.52 0.00 0.00 37.83 33.46 3kti s LYS 86 CO 0.51 0.08 0.23 0.08 -0.92 0.00 0.00 175.35 175.33 3kti s VAL 87 N 0.64 5.02 0.32 3.17 1.01 -1.26 -1.23 120.40 128.07 3kti s VAL 87 Ca 0.43 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.89 3kti s VAL 87 Cb -0.20 -3.65 -0.06 0.00 0.00 0.00 0.00 36.38 32.48 3kti s VAL 87 CO 0.23 -0.08 0.63 -0.94 0.00 0.00 0.00 175.10 174.93 3kti s SER 88 N 1.66 6.50 0.03 3.32 1.04 0.63 -1.22 113.70 125.67 3kti s SER 88 Ca 0.05 0.89 0.06 0.00 0.48 0.00 0.00 55.95 57.43 3kti s SER 88 Cb -0.18 -2.22 -0.02 0.00 0.10 0.00 0.00 66.02 63.70 3kti s SER 88 CO 0.09 -0.25 -0.19 0.42 0.98 0.00 0.00 173.24 174.29 3kti s THR 89 N -2.14 1.51 -0.10 2.02 -4.23 -0.31 -0.45 115.64 111.94 3kti s THR 89 Ca 0.47 -1.09 -0.00 0.00 -1.18 0.00 0.00 61.69 59.88 3kti s THR 89 Cb -0.11 -1.31 0.02 0.00 1.34 0.00 0.00 72.50 72.44 3kti s THR 89 CO 0.29 0.19 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.87 3kti s ILE 90 N -0.75 0.87 -0.31 2.99 1.09 -0.80 0.89 121.20 125.18 3kti s ILE 90 Ca 0.06 -0.21 -0.25 0.00 -1.10 0.00 0.00 60.65 59.16 3kti s ILE 90 Cb -0.08 -0.91 0.00 0.00 -1.06 0.00 0.00 42.46 40.41 3kti s ILE 90 CO 0.01 0.34 0.85 0.00 -0.10 0.00 0.00 174.94 176.04 3kti s ILE 92 N 3.10 2.65 0.00 0.00 1.01 0.76 -2.22 121.20 126.49 3kti s ILE 92 Ca 0.35 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.26 3kti s ILE 92 Cb -0.14 -2.15 0.00 0.00 0.01 0.00 0.00 42.46 40.18 3kti s ILE 92 CO 0.13 0.49 0.00 0.61 0.00 0.00 0.00 174.94 176.17 3kti n GLY 93 N 4.56 1.70 3.22 6.18 0.00 -1.26 -3.93 105.19 115.66 3kti n GLY 93 Ca -0.20 0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 3kti n GLY 93 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3kti s MET 94 N 0.00 0.36 -0.31 1.61 -2.45 -1.26 -0.39 119.30 116.86 3kti s MET 94 Ca 0.00 0.69 0.03 0.00 -1.25 0.00 0.00 55.69 55.16 3kti s MET 94 Cb 0.00 -0.01 0.09 0.00 1.25 0.00 0.00 34.83 36.16 3kti s MET 94 CO 0.00 -0.14 0.02 0.00 1.05 0.00 0.00 175.02 175.94 3kti s ALA 95 N 1.20 2.59 0.08 4.11 0.00 -0.31 -0.41 121.76 129.02 3kti s ALA 95 Ca -0.08 -2.19 0.08 0.00 0.00 0.00 0.00 51.96 49.77 3kti s ALA 95 Cb -0.08 -1.81 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 3kti s ALA 95 CO -0.10 -1.56 -0.19 0.00 0.00 0.00 0.00 175.76 173.92 3kti s ALA 96 N 1.07 2.62 0.00 0.00 0.00 -0.49 -1.48 121.76 123.47 3kti s ALA 96 Ca 0.06 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.73 3kti s ALA 96 Cb -0.19 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.26 3kti s ALA 96 CO -0.09 0.58 0.00 0.45 0.00 0.00 0.00 175.76 176.70 3kti n SER 97 N 1.14 0.00 -0.01 0.00 2.88 0.17 -0.98 113.62 116.83 3kti n SER 97 Ca -0.16 0.00 0.22 0.00 -1.33 0.00 0.00 58.87 57.60 3kti n SER 97 Cb 0.52 0.00 0.72 0.00 -0.75 0.00 0.00 64.21 64.71 3kti n SER 97 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 3kti h MET 98 N 0.00 0.00 -0.42 -1.46 1.85 -1.86 0.43 114.93 113.47 3kti h MET 98 Ca 0.00 0.00 -0.11 0.00 -0.61 0.00 0.00 59.70 58.98 3kti h MET 98 Cb 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 3kti h MET 98 CO 0.00 0.00 -0.20 0.78 -0.40 0.00 0.00 176.91 177.09 3kti h GLY 99 N 0.00 0.88 1.84 1.39 0.00 -1.34 -1.11 103.07 104.73 3kti h GLY 99 Ca 0.27 -0.75 -0.14 0.00 0.00 0.00 0.00 47.33 46.71 3kti h GLY 99 CO -0.00 0.68 -0.62 0.00 0.00 0.00 0.00 176.54 176.60 3kti h ALA 100 N 1.05 0.88 -0.27 3.60 0.00 -0.22 -1.66 119.26 122.64 3kti h ALA 100 Ca 0.10 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 3kti h ALA 100 Cb 0.72 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3kti h ALA 100 CO 0.06 0.75 0.13 0.35 0.00 0.00 0.00 179.25 180.54 3kti h PHE 101 N 0.12 0.40 -0.27 0.00 3.57 -0.54 -1.23 116.94 118.99 3kti h PHE 101 Ca -0.01 -0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.35 3kti h PHE 101 Cb 1.12 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 3kti h PHE 101 CO 0.02 0.37 -0.32 -0.07 -2.23 0.00 0.00 178.31 176.07 3kti h LEU 102 N 0.31 0.59 -0.28 0.59 3.38 -1.10 -2.22 115.31 116.57 3kti h LEU 102 Ca 0.09 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.84 3kti h LEU 102 Cb 0.12 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3kti h LEU 102 CO -0.01 0.87 0.16 0.25 0.09 0.00 0.00 178.44 179.80 3kti h LEU 103 N 0.49 0.25 -0.68 1.67 5.85 -1.06 -1.32 115.31 120.51 3kti h LEU 103 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3kti h LEU 103 Cb 0.80 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.78 3kti h LEU 103 CO 0.07 0.18 0.00 0.00 -0.34 0.00 0.00 178.44 178.35 3kti n ALA 104 N -2.20 1.57 1.43 1.25 0.00 -0.48 -2.53 120.51 119.55 3kti n ALA 104 Ca -0.01 0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.64 3kti n ALA 104 Cb 0.05 -1.35 0.49 0.00 0.00 0.00 0.00 19.45 18.64 3kti n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kti n ALA 105 N -1.73 2.56 -1.35 0.00 0.00 -0.51 -4.86 120.51 114.63 3kti n ALA 105 Ca 0.02 -0.47 -0.33 0.00 0.00 0.00 0.00 53.44 52.67 3kti n ALA 105 Cb 0.19 -1.14 0.08 0.00 0.00 0.00 0.00 19.45 18.58 3kti n ALA 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3kti s GLY 106 N -1.89 2.02 0.02 0.00 0.00 -1.05 -4.89 107.32 101.53 3kti s GLY 106 Ca 0.37 0.53 -0.38 0.00 0.00 0.00 0.00 44.72 45.24 3kti s GLY 106 CO 0.32 0.90 1.38 -2.21 0.00 0.00 0.00 173.10 173.49 3kti n GLU 107 N -2.92 1.07 -1.67 2.90 4.07 -0.36 -4.80 120.64 118.92 3kti n GLU 107 Ca 0.11 0.39 -0.46 0.00 -0.06 0.00 0.00 57.16 57.13 3kti n GLU 107 Cb 0.52 -2.02 -0.04 0.00 -0.06 0.00 0.00 31.44 29.83 3kti n GLU 107 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3kti n LYS 108 N 2.88 2.20 0.00 5.31 3.00 -1.26 -0.40 118.16 129.89 3kti n LYS 108 Ca 0.20 0.80 0.00 0.00 -0.00 0.00 0.00 58.31 59.30 3kti n LYS 108 Cb 0.17 -2.59 0.00 0.00 0.00 0.00 0.00 35.03 32.62 3kti n LYS 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kti n GLY 109 N 3.64 1.02 0.93 3.14 0.00 -1.26 -4.89 105.19 107.76 3kti n GLY 109 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.22 3kti n GLY 109 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kti n LYS 110 N -2.00 1.59 -3.73 1.61 4.76 0.46 -4.87 118.16 115.98 3kti n LYS 110 Ca 0.00 -3.22 -0.37 0.00 -2.87 0.00 0.00 58.31 51.84 3kti n LYS 110 Cb 0.00 -1.46 -0.12 0.00 -1.84 0.00 0.00 35.03 31.60 3kti n LYS 110 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3kti s ARG 111 N -2.84 3.30 0.36 1.97 0.52 -1.24 -1.17 118.95 119.85 3kti s ARG 111 Ca 0.39 -0.72 0.08 0.00 -0.52 0.00 0.00 55.73 54.96 3kti s ARG 111 Cb 0.38 -3.40 -0.07 0.00 0.52 0.00 0.00 34.95 32.37 3kti s ARG 111 CO -0.07 -0.37 -0.06 0.71 0.02 0.00 0.00 175.30 175.54 3kti s TYR 112 N 1.56 2.39 -0.11 -0.53 1.51 0.26 -0.61 117.35 121.81 3kti s TYR 112 Ca 0.04 -0.58 -0.20 0.00 -1.01 0.00 0.00 57.07 55.32 3kti s TYR 112 Cb -0.17 -1.48 0.05 0.00 -0.11 0.00 0.00 41.96 40.26 3kti s TYR 112 CO 0.04 0.50 0.49 0.00 -1.11 0.00 0.00 175.55 175.47 3kti s ALA 113 N -2.70 -1.24 0.52 3.71 0.00 -1.00 0.18 121.76 121.22 3kti s ALA 113 Ca 0.33 1.09 -0.17 0.00 0.00 0.00 0.00 51.96 53.21 3kti s ALA 113 Cb 0.05 -0.38 -0.07 0.00 0.00 0.00 0.00 23.12 22.72 3kti s ALA 113 CO 0.17 -0.28 1.00 -0.51 0.00 0.00 0.00 175.76 176.14 3kti s LEU 114 N -0.53 3.66 0.33 0.00 1.43 -0.94 -1.12 118.68 121.50 3kti s LEU 114 Ca -0.06 1.68 0.11 0.00 -1.03 0.00 0.00 54.13 54.82 3kti s LEU 114 Cb -0.03 -4.52 1.02 0.00 0.03 0.00 0.00 46.19 42.68 3kti s LEU 114 CO 0.04 -0.72 1.60 -0.65 0.23 0.00 0.00 176.35 176.85 3kti h PRO 115 N 1.00 0.07 -0.37 1.29 0.11 -1.93 -2.07 132.00 130.09 3kti h PRO 115 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3kti h PRO 115 Cb 1.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3kti h PRO 115 CO 0.60 0.04 0.00 0.09 -0.21 0.00 0.00 178.00 178.53 3kti n ASN 116 N -5.31 3.10 -4.77 -2.05 4.13 -1.26 -4.43 115.26 104.66 3kti n ASN 116 Ca 0.30 -1.91 -0.31 0.00 1.68 0.00 0.00 54.58 54.33 3kti n ASN 116 Cb 0.98 -0.24 0.08 0.00 -1.54 0.00 0.00 39.78 39.06 3kti n ASN 116 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3kti s SER 117 N -1.12 4.68 0.15 6.41 1.04 -0.78 -4.90 113.70 119.18 3kti s SER 117 Ca 0.30 1.85 0.10 0.00 0.48 0.00 0.00 55.95 58.69 3kti s SER 117 Cb 0.17 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.72 3kti s SER 117 CO 0.23 -1.92 -0.21 -1.61 0.98 0.00 0.00 173.24 170.71 3kti s GLU 118 N -4.73 1.65 -0.06 4.02 2.02 0.48 -3.11 118.70 118.97 3kti s GLU 118 Ca 0.62 -1.34 0.02 0.00 0.02 0.00 0.00 54.97 54.29 3kti s GLU 118 Cb -0.18 -1.99 0.02 0.00 0.10 0.00 0.00 34.13 32.08 3kti s GLU 118 CO 0.53 0.44 -0.09 0.08 0.02 0.00 0.00 175.26 176.24 3kti s VAL 119 N -1.36 0.90 -0.02 2.63 1.01 -0.64 -1.17 120.40 121.75 3kti s VAL 119 Ca 0.19 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.85 3kti s VAL 119 Cb -0.09 -0.85 -0.00 0.00 0.00 0.00 0.00 36.38 35.44 3kti s VAL 119 CO 0.10 0.30 -0.10 -0.32 0.00 0.00 0.00 175.10 175.08 3kti s MET 120 N 0.72 1.03 0.08 2.72 0.00 -0.55 0.08 119.30 123.37 3kti s MET 120 Ca -0.13 -0.36 0.07 0.00 0.00 0.00 0.00 55.69 55.27 3kti s MET 120 Cb -0.15 -0.96 -0.03 0.00 0.00 0.00 0.00 34.83 33.69 3kti s MET 120 CO 0.02 0.16 -0.18 0.96 0.00 0.00 0.00 175.02 175.98 3kti s ILE 121 N 0.05 1.45 0.00 10.11 -4.36 -0.54 -0.65 121.20 127.27 3kti s ILE 121 Ca -0.01 -1.35 0.00 0.00 -0.26 0.00 0.00 60.65 59.03 3kti s ILE 121 Cb -0.08 -1.33 0.00 0.00 1.25 0.00 0.00 42.46 42.30 3kti s ILE 121 CO 0.00 -0.06 0.00 0.00 0.24 0.00 0.00 174.94 175.13 3kti n HIS 122 N 1.37 0.00 -4.08 1.37 1.44 -1.26 -0.86 115.22 113.20 3kti n HIS 122 Ca -0.19 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.29 3kti n HIS 122 Cb 0.54 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.59 3kti n HIS 122 CO 0.00 0.00 0.00 1.14 -2.81 0.00 0.00 176.34 174.67 3kti s GLN 123 N 1.27 2.50 0.46 -1.40 -2.07 -0.98 -4.85 119.66 114.59 3kti s GLN 123 Ca 0.00 -1.41 -0.24 0.00 -1.82 0.00 0.00 55.36 51.89 3kti s GLN 123 Cb 0.00 -2.28 -0.08 0.00 -1.09 0.00 0.00 33.01 29.55 3kti s GLN 123 CO 0.00 0.19 1.23 -2.30 -1.32 0.00 0.00 175.29 173.08 3kti n PRO 124 N -1.15 1.72 -4.36 9.60 -0.02 -1.26 -5.01 135.00 134.51 3kti n PRO 124 Ca -0.04 0.62 -0.31 0.00 -2.02 0.00 0.00 63.50 61.75 3kti n PRO 124 Cb 0.60 -2.36 -0.10 0.00 -0.02 0.00 0.00 33.50 31.62 3kti n PRO 124 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kti s LEU 125 N -1.92 3.03 0.00 2.45 1.43 -1.26 -5.07 118.68 117.33 3kti s LEU 125 Ca 0.65 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 3kti s LEU 125 Cb -0.49 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 43.94 3kti s LEU 125 CO 0.55 0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.96 3kti n GLY 126 N 1.08 1.46 3.60 -3.19 0.00 -1.26 -5.08 105.19 101.81 3kti n GLY 126 Ca -0.14 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 3kti n GLY 126 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kti s GLY 127 N -1.43 -0.00 -0.29 -0.02 0.00 -1.26 -5.17 107.32 99.16 3kti s GLY 127 Ca 0.00 -0.33 -0.16 0.00 0.00 0.00 0.00 44.72 44.24 3kti s GLY 127 CO 0.00 -0.27 0.83 0.00 0.00 0.00 0.00 173.10 173.66 3kti s ALA 128 N -3.90 -2.09 -0.01 3.20 0.00 -1.26 -4.96 121.76 112.73 3kti s ALA 128 Ca 0.12 2.31 0.00 0.00 0.00 0.00 0.00 51.96 54.39 3kti s ALA 128 Cb -0.02 -1.59 0.01 0.00 0.00 0.00 0.00 23.12 21.52 3kti s ALA 128 CO 0.01 -0.39 -0.01 -1.14 0.00 0.00 0.00 175.76 174.23 3kti s GLN 129 N 1.54 0.15 0.00 0.00 -0.44 -1.26 -4.97 119.66 114.68 3kti s GLN 129 Ca -0.09 -0.02 0.00 0.00 -2.50 0.00 0.00 55.36 52.75 3kti s GLN 129 Cb -0.04 -0.20 0.00 0.00 -1.64 0.00 0.00 33.01 31.12 3kti s GLN 129 CO -0.17 -0.01 0.00 0.41 0.50 0.00 0.00 175.29 176.02 3kti n GLY 130 N 3.31 0.65 3.77 2.59 0.00 -1.26 -4.86 105.19 109.39 3kti n GLY 130 Ca -0.16 -1.71 -0.35 0.00 0.00 0.00 0.00 46.02 43.80 3kti n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kti s GLN 131 N -1.57 3.29 0.26 1.61 -0.21 -1.26 -4.78 119.66 117.00 3kti s GLN 131 Ca 0.00 1.57 -0.07 0.00 0.02 0.00 0.00 55.36 56.88 3kti s GLN 131 Cb 0.00 -2.00 0.45 0.00 1.00 0.00 0.00 33.01 32.46 3kti s GLN 131 CO 0.00 -0.89 1.60 0.00 -2.12 0.00 0.00 175.29 173.88 3kti h ALA 132 N 1.05 0.73 -0.68 6.09 0.00 -1.99 0.26 119.26 124.71 3kti h ALA 132 Ca -0.50 0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.74 3kti h ALA 132 Cb 1.26 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 19.56 3kti h ALA 132 CO 0.57 -0.44 0.45 1.15 0.00 0.00 0.00 179.25 180.98 3kti h THR 133 N 0.04 1.11 -0.20 0.00 2.02 -1.99 -0.33 112.91 113.55 3kti h THR 133 Ca 0.44 -0.29 -0.20 0.00 0.77 0.00 0.00 66.41 67.13 3kti h THR 133 Cb 0.75 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3kti h THR 133 CO -0.80 0.15 -0.66 -0.33 0.37 0.00 0.00 175.52 174.25 3kti h GLU 134 N 0.84 0.77 -0.43 6.66 5.08 -0.91 -2.42 114.58 124.16 3kti h GLU 134 Ca 0.27 -0.56 -0.06 0.00 -1.00 0.00 0.00 59.36 58.01 3kti h GLU 134 Cb 0.04 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 3kti h GLU 134 CO -0.07 1.18 0.00 0.82 -1.00 0.00 0.00 179.01 179.93 3kti h ILE 135 N 0.56 1.23 -0.29 3.13 2.04 -0.65 -2.34 117.51 121.18 3kti h ILE 135 Ca -0.02 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 3kti h ILE 135 Cb 1.27 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 3kti h ILE 135 CO 0.14 0.32 0.14 -0.08 0.00 0.00 0.00 178.15 178.68 3kti h GLU 136 N 0.65 0.42 -0.33 2.37 4.81 -0.91 -0.76 114.58 120.83 3kti h GLU 136 Ca 0.13 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 3kti h GLU 136 Cb 0.41 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 3kti h GLU 136 CO 0.02 0.39 0.17 0.82 -0.73 0.00 0.00 179.01 179.68 3kti h ILE 137 N 0.34 1.00 -0.61 2.32 2.04 -1.10 0.54 117.51 122.03 3kti h ILE 137 Ca 0.10 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.78 3kti h ILE 137 Cb 0.11 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 3kti h ILE 137 CO -0.01 0.06 0.14 0.00 0.00 0.00 0.00 178.15 178.34 3kti h ALA 138 N 1.17 1.09 0.07 1.87 0.00 -1.28 -1.82 119.26 120.36 3kti h ALA 138 Ca 0.14 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kti h ALA 138 Cb 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3kti h ALA 138 CO -0.09 0.60 -0.04 0.00 0.00 0.00 0.00 179.25 179.73 3kti h ALA 139 N 1.23 -0.10 -0.86 0.00 0.00 -0.66 -1.84 119.26 117.03 3kti h ALA 139 Ca 0.20 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.06 3kti h ALA 139 Cb 0.34 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 3kti h ALA 139 CO 0.00 -0.45 0.56 0.87 0.00 0.00 0.00 179.25 180.23 3kti h LYS 140 N -0.31 0.90 0.32 0.00 1.57 -0.75 -1.41 116.57 116.90 3kti h LYS 140 Ca -0.01 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3kti h LYS 140 Cb 0.27 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3kti h LYS 140 CO 0.02 0.60 -0.16 -0.09 -0.57 0.00 0.00 179.45 179.25 3kti h ARG 141 N 0.93 -0.42 -0.38 3.15 2.43 -1.13 -1.49 114.38 117.47 3kti h ARG 141 Ca 0.38 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.57 3kti h ARG 141 Cb 0.26 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 3kti h ARG 141 CO -0.14 -0.11 0.21 0.97 -1.51 0.00 0.00 179.97 179.38 3kti h ILE 142 N -0.74 1.12 -0.33 1.20 2.10 -1.12 0.13 117.51 119.88 3kti h ILE 142 Ca -0.04 -0.31 -0.12 0.00 1.08 0.00 0.00 64.86 65.47 3kti h ILE 142 Cb 0.50 0.61 -0.01 0.00 -1.09 0.00 0.00 36.82 36.83 3kti h ILE 142 CO 0.07 0.13 -0.28 -0.07 -1.08 0.00 0.00 178.15 176.92 3kti h LEU 143 N 0.52 0.69 -0.38 2.19 3.38 -1.23 -0.61 115.31 119.88 3kti h LEU 143 Ca 0.14 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 3kti h LEU 143 Cb 0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3kti h LEU 143 CO -0.02 0.94 -0.01 -0.07 0.09 0.00 0.00 178.44 179.36 3kti h LEU 144 N 0.58 0.66 -0.77 1.67 3.38 -0.04 -1.57 115.31 119.22 3kti h LEU 144 Ca 0.07 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 3kti h LEU 144 Cb 0.78 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 3kti h LEU 144 CO 0.06 0.82 0.48 -0.07 0.09 0.00 0.00 178.44 179.82 3kti h LEU 145 N 0.49 0.92 -0.81 1.67 3.38 -0.57 -0.40 115.31 119.98 3kti h LEU 145 Ca 0.10 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3kti h LEU 145 Cb 0.49 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3kti h LEU 145 CO 0.02 0.70 0.36 -0.09 0.09 0.00 0.00 178.44 179.52 3kti h ARG 146 N 1.06 1.19 -0.46 1.13 2.43 -0.93 -0.01 114.38 118.79 3kti h ARG 146 Ca 0.28 -0.20 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 3kti h ARG 146 Cb -0.06 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.27 3kti h ARG 146 CO -0.05 0.94 0.08 0.22 -1.51 0.00 0.00 179.97 179.65 3kti h ASP 147 N 1.17 0.73 -0.01 -3.80 3.58 -0.74 -0.72 116.42 116.62 3kti h ASP 147 Ca 0.27 -0.25 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 3kti h ASP 147 Cb 0.17 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.02 3kti h ASP 147 CO -0.03 0.80 0.01 0.50 -2.88 0.00 0.00 179.24 177.63 3kti h LYS 148 N 0.63 0.02 -0.81 0.28 3.64 -0.71 -0.61 116.57 119.00 3kti h LYS 148 Ca 0.14 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 3kti h LYS 148 Cb 0.37 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.16 3kti h LYS 148 CO 0.01 0.11 0.32 -0.07 -2.27 0.00 0.00 179.45 177.55 3kti h LEU 149 N -0.08 1.11 -0.61 5.20 3.38 -0.96 -2.56 115.31 120.80 3kti h LEU 149 Ca 0.00 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 3kti h LEU 149 Cb 0.09 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3kti h LEU 149 CO -0.00 0.98 -0.01 0.78 0.09 0.00 0.00 178.44 180.28 3kti h ASN 150 N 1.17 1.06 -0.69 -0.43 2.35 -0.97 -0.92 115.58 117.14 3kti h ASN 150 Ca 0.27 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 3kti h ASN 150 Cb 0.22 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.27 3kti h ASN 150 CO -0.02 1.11 0.41 0.11 -1.65 0.00 0.00 177.43 177.38 3kti h LYS 151 N 0.98 0.97 -0.21 0.81 1.57 -0.88 0.35 116.57 120.15 3kti h LYS 151 Ca 0.17 -0.09 -0.13 0.00 -1.87 0.00 0.00 60.65 58.73 3kti h LYS 151 Cb 0.57 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3kti h LYS 151 CO 0.03 0.69 -0.38 0.28 -0.57 0.00 0.00 179.45 179.51 3kti h VAL 152 N 0.98 1.32 -0.93 0.50 2.07 -1.18 -2.15 116.25 116.86 3kti h VAL 152 Ca 0.25 -1.60 0.03 0.00 0.82 0.00 0.00 66.70 66.21 3kti h VAL 152 Cb -0.01 1.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 3kti h VAL 152 CO -0.04 0.50 0.61 -0.07 0.02 0.00 0.00 177.57 178.58 3kti h LEU 153 N 0.31 1.02 -0.02 2.57 3.38 -0.66 0.93 115.31 122.85 3kti h LEU 153 Ca 0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kti h LEU 153 Cb 0.97 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 3kti h LEU 153 CO 0.08 0.71 0.01 0.00 0.09 0.00 0.00 178.44 179.33 3kti h ALA 154 N 1.38 0.02 -0.46 1.53 0.00 -0.84 0.03 119.26 120.91 3kti h ALA 154 Ca 0.37 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.27 3kti h ALA 154 Cb -0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3kti h ALA 154 CO -0.11 -0.45 0.26 0.93 0.00 0.00 0.00 179.25 179.88 3kti h GLU 155 N -0.02 0.51 -0.25 0.00 5.08 -0.80 0.13 114.58 119.22 3kti h GLU 155 Ca 0.01 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 3kti h GLU 155 Cb 0.05 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3kti h GLU 155 CO -0.00 0.34 -0.46 0.00 -1.00 0.00 0.00 179.01 177.89 3kti h ARG 156 N 0.52 0.65 0.00 2.33 2.47 -0.64 -3.28 114.38 116.43 3kti h ARG 156 Ca 0.19 -0.36 -0.20 0.00 -1.26 0.00 0.00 59.98 58.34 3kti h ARG 156 Cb 0.04 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.34 3kti h ARG 156 CO -0.10 0.97 -1.40 1.79 0.56 0.00 0.00 179.97 181.79 3kti h THR 157 N 0.52 0.71 0.00 2.04 1.35 -0.91 -3.46 112.91 113.15 3kti h THR 157 Ca 0.03 -2.31 0.00 0.00 -0.55 0.00 0.00 66.41 63.58 3kti h THR 157 Cb 0.99 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 69.64 3kti h THR 157 CO 0.09 0.40 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 3kti n GLY 158 N 1.43 0.60 3.80 5.82 0.00 0.46 -4.54 105.19 112.76 3kti n GLY 158 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 3kti n GLY 158 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kti s GLN 159 N -0.80 3.48 0.61 1.61 -1.52 -1.18 -4.99 119.66 116.87 3kti s GLN 159 Ca 0.00 1.22 -0.16 0.00 -1.95 0.00 0.00 55.36 54.48 3kti s GLN 159 Cb 0.00 -2.06 -0.03 0.00 -0.22 0.00 0.00 33.01 30.71 3kti s GLN 159 CO 0.00 -0.68 1.08 -1.25 -0.25 0.00 0.00 175.29 174.20 3kti s PRO 160 N -3.87 3.13 0.31 2.91 0.04 -1.26 -4.61 135.00 131.65 3kti s PRO 160 Ca 0.64 1.32 -0.00 0.00 0.04 0.00 0.00 61.00 63.00 3kti s PRO 160 Cb -0.16 -2.00 0.51 0.00 0.04 0.00 0.00 34.50 32.89 3kti s PRO 160 CO 0.32 -0.98 1.95 1.25 0.04 0.00 0.00 177.00 179.58 3kti h LEU 161 N 0.38 0.90 -1.65 -3.56 5.85 -1.93 -1.23 115.31 114.07 3kti h LEU 161 Ca -0.47 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.20 3kti h LEU 161 Cb 1.23 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 3kti h LEU 161 CO 0.56 0.62 -0.13 1.05 -0.34 0.00 0.00 178.44 180.21 3kti h GLU 162 N 1.05 0.06 -0.04 1.25 4.11 -1.99 0.38 114.58 119.40 3kti h GLU 162 Ca 0.33 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.73 3kti h GLU 162 Cb 0.02 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3kti h GLU 162 CO -0.10 0.19 -0.07 0.28 0.07 0.00 0.00 179.01 179.38 3kti h VAL 163 N 0.06 1.42 -0.85 -1.06 2.07 -1.61 -2.37 116.25 113.91 3kti h VAL 163 Ca 0.01 -1.37 0.05 0.00 0.82 0.00 0.00 66.70 66.22 3kti h VAL 163 Cb 0.27 2.24 -0.06 0.00 -1.52 0.00 0.00 31.29 32.22 3kti h VAL 163 CO 0.02 0.37 0.53 0.40 0.02 0.00 0.00 177.57 178.91 3kti h ILE 164 N -0.39 1.06 0.26 4.57 1.08 -0.97 -1.16 117.51 121.96 3kti h ILE 164 Ca 0.00 -0.34 -0.00 0.00 -0.39 0.00 0.00 64.86 64.13 3kti h ILE 164 Cb 0.64 -0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 34.37 3kti h ILE 164 CO 0.02 0.18 -0.19 -0.33 -0.69 0.00 0.00 178.15 177.14 3kti h GLU 165 N 0.99 -0.43 -0.09 2.37 5.08 -0.85 -2.03 114.58 119.61 3kti h GLU 165 Ca 0.36 0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.62 3kti h GLU 165 Cb 0.13 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3kti h GLU 165 CO -0.16 -0.29 -0.53 0.07 -1.00 0.00 0.00 179.01 177.10 3kti h ARG 166 N -0.45 0.25 0.00 2.33 0.11 -1.28 -3.12 114.38 112.22 3kti h ARG 166 Ca -0.02 -0.15 0.00 0.00 0.10 0.00 0.00 59.98 59.91 3kti h ARG 166 Cb 0.39 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.49 3kti h ARG 166 CO -0.00 0.72 0.00 -0.44 0.10 0.00 0.00 179.97 180.35 3kti h ASP 167 N 0.20 0.00 -0.46 0.08 5.19 -1.06 -2.79 116.42 117.58 3kti h ASP 167 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3kti h ASP 167 Cb 1.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.51 3kti h ASP 167 CO 0.08 0.00 0.00 0.35 -3.12 0.00 0.00 179.24 176.55 3kti n THR 168 N -2.86 0.69 -0.20 0.35 -2.24 -0.78 -4.53 114.28 104.71 3kti n THR 168 Ca 0.01 -0.84 -0.02 0.00 -2.27 0.00 0.00 64.05 60.93 3kti n THR 168 Cb 0.30 0.79 0.09 0.00 -2.10 0.00 0.00 70.33 69.41 3kti n THR 168 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 3kti h ASP 169 N 3.95 0.41 -3.36 3.42 -0.00 -1.50 -2.61 116.42 116.73 3kti h ASP 169 Ca 0.00 0.04 -0.46 0.00 -0.00 0.00 0.00 57.03 56.62 3kti h ASP 169 Cb 0.92 -0.03 -0.14 0.00 -0.00 0.00 0.00 39.33 40.08 3kti h ASP 169 CO 0.00 0.26 -0.62 -0.13 -0.00 0.00 0.00 179.24 178.75 3kti s ARG 170 N -6.10 1.59 -0.27 0.28 3.00 -1.26 -4.66 118.95 111.52 3kti s ARG 170 Ca -0.13 -1.86 -0.38 0.00 0.00 0.00 0.00 55.73 53.36 3kti s ARG 170 Cb 0.16 -0.84 -0.14 0.00 0.00 0.00 0.00 34.95 34.13 3kti s ARG 170 CO 0.75 -0.16 1.88 -0.25 0.00 0.00 0.00 175.30 177.52 3kti n ASP 171 N -0.63 2.46 -4.08 0.23 9.92 -1.26 -4.58 116.55 118.61 3kti n ASP 171 Ca -0.03 0.90 -0.34 0.00 -0.53 0.00 0.00 54.79 54.79 3kti n ASP 171 Cb 0.66 -1.20 -0.13 0.00 -0.64 0.00 0.00 41.12 39.82 3kti n ASP 171 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 3kti s ASN 172 N 4.55 5.06 -0.12 -2.24 3.04 -0.04 -4.99 114.94 120.20 3kti s ASN 172 Ca 1.01 -2.16 -0.20 0.00 0.04 0.00 0.00 52.86 51.55 3kti s ASN 172 Cb -0.98 -1.76 -0.04 0.00 -1.54 0.00 0.00 41.25 36.94 3kti s ASN 172 CO 0.60 -0.47 0.58 -0.36 -3.04 0.00 0.00 177.10 174.41 3kti s PHE 173 N 0.94 3.50 0.11 0.43 0.08 -1.26 -1.46 117.98 120.31 3kti s PHE 173 Ca 0.10 1.00 0.08 0.00 0.12 0.00 0.00 56.93 58.23 3kti s PHE 173 Cb -0.22 -2.68 -0.04 0.00 -0.57 0.00 0.00 43.02 39.52 3kti s PHE 173 CO -0.05 0.07 -0.20 0.15 -0.10 0.00 0.00 175.22 175.09 3kti s LYS 174 N 0.97 1.11 0.72 0.44 1.02 0.11 -5.00 119.74 119.12 3kti s LYS 174 Ca 0.30 -1.18 -0.06 0.00 0.02 0.00 0.00 55.97 55.05 3kti s LYS 174 Cb -0.16 -1.32 0.08 0.00 -0.52 0.00 0.00 37.83 35.91 3kti s LYS 174 CO 0.13 0.30 1.03 -1.54 -0.92 0.00 0.00 175.35 174.35 3kti s SER 175 N -2.00 4.62 0.19 2.83 1.04 -1.26 -1.62 113.70 117.50 3kti s SER 175 Ca 0.07 0.32 -0.11 0.00 0.48 0.00 0.00 55.95 56.71 3kti s SER 175 Cb -0.09 -0.89 0.19 0.00 0.10 0.00 0.00 66.02 65.33 3kti s SER 175 CO 0.04 -1.71 1.79 0.00 0.98 0.00 0.00 173.24 174.34 3kti h ALA 176 N -0.66 0.77 -0.21 5.32 0.00 -1.76 0.15 119.26 122.88 3kti h ALA 176 Ca -0.43 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3kti h ALA 176 Cb 1.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3kti h ALA 176 CO 0.55 -0.03 0.13 0.93 0.00 0.00 0.00 179.25 180.83 3kti h GLU 177 N 0.58 0.27 -0.90 0.00 5.08 -1.92 -1.17 114.58 116.52 3kti h GLU 177 Ca 0.26 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.61 3kti h GLU 177 Cb 0.17 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 3kti h GLU 177 CO -0.18 0.20 0.60 0.93 -1.00 0.00 0.00 179.01 179.57 3kti h GLU 178 N 0.26 1.18 -0.67 2.33 5.08 -1.79 0.39 114.58 121.36 3kti h GLU 178 Ca 0.07 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3kti h GLU 178 Cb -0.00 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 28.95 3kti h GLU 178 CO -0.02 0.78 0.43 0.00 -1.00 0.00 0.00 179.01 179.20 3kti h ALA 179 N 1.33 0.85 -0.19 3.43 0.00 -0.35 -0.33 119.26 124.00 3kti h ALA 179 Ca 0.33 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3kti h ALA 179 Cb -0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 3kti h ALA 179 CO -0.08 0.30 0.06 1.25 0.00 0.00 0.00 179.25 180.78 3kti h LEU 180 N 0.91 0.28 -0.99 0.00 5.85 -0.53 -1.20 115.31 119.64 3kti h LEU 180 Ca 0.24 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3kti h LEU 180 Cb -0.07 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 40.88 3kti h LEU 180 CO -0.05 0.41 0.00 -0.33 -0.34 0.00 0.00 178.44 178.13 3kti h GLU 181 N 0.14 0.00 0.00 1.25 5.08 -0.57 -2.23 114.58 118.24 3kti h GLU 181 Ca 0.06 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.25 3kti h GLU 181 Cb 0.23 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3kti h GLU 181 CO -0.00 0.00 -1.42 0.98 -1.00 0.00 0.00 179.01 177.57 3kti n TYR 182 N -2.40 0.99 0.00 4.33 9.36 -0.17 -4.98 117.16 124.29 3kti n TYR 182 Ca 0.01 0.33 0.00 0.00 3.32 0.00 0.00 57.90 61.56 3kti n TYR 182 Cb 0.21 -1.09 0.00 0.00 -0.63 0.00 0.00 39.34 37.83 3kti n TYR 182 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3kti n GLY 183 N 1.40 1.04 0.09 2.98 0.00 -0.71 -4.72 105.19 105.26 3kti n GLY 183 Ca -0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 3kti n GLY 183 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kti h LEU 184 N 0.00 0.00 -8.76 0.99 3.38 -1.49 -3.36 115.31 106.07 3kti h LEU 184 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.64 3kti h LEU 184 Cb 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.60 3kti h LEU 184 CO 0.00 0.87 -0.65 0.27 0.09 0.00 0.00 178.44 179.02 3kti s ILE 185 N -3.02 0.77 -0.14 1.22 -4.36 -1.22 -3.96 121.20 110.49 3kti s ILE 185 Ca 0.00 -2.00 0.09 0.00 -0.26 0.00 0.00 60.65 58.48 3kti s ILE 185 Cb 0.11 -2.27 -0.15 0.00 1.25 0.00 0.00 42.46 41.40 3kti s ILE 185 CO 0.80 -0.35 -0.00 0.47 0.24 0.00 0.00 174.94 176.10 3kti n ASP 186 N -0.33 2.00 -3.81 4.36 8.00 0.22 -4.43 116.55 122.56 3kti n ASP 186 Ca -0.05 -0.02 -0.11 0.00 0.71 0.00 0.00 54.79 55.32 3kti n ASP 186 Cb 0.64 0.56 -0.08 0.00 -0.02 0.00 0.00 41.12 42.22 3kti n ASP 186 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3kti s LYS 187 N -2.32 0.76 -0.19 -1.24 1.02 -0.78 -5.01 119.74 111.97 3kti s LYS 187 Ca -0.10 -0.61 -0.04 0.00 0.02 0.00 0.00 55.97 55.24 3kti s LYS 187 Cb 0.04 0.32 -0.02 0.00 -0.52 0.00 0.00 37.83 37.65 3kti s LYS 187 CO 0.50 -0.23 -0.03 0.42 -0.92 0.00 0.00 175.35 175.09 3kti s ILE 188 N -2.68 3.72 0.14 2.17 1.01 -1.26 -2.37 121.20 121.92 3kti s ILE 188 Ca -0.04 -0.40 -0.30 0.00 0.00 0.00 0.00 60.65 59.91 3kti s ILE 188 Cb -0.00 -2.66 -0.07 0.00 0.01 0.00 0.00 42.46 39.73 3kti s ILE 188 CO -0.04 0.45 1.18 -0.76 0.00 0.00 0.00 174.94 175.76 3kti s LEU 189 N 0.92 4.43 0.04 2.97 1.43 -0.28 -4.95 118.68 123.24 3kti s LEU 189 Ca 0.00 2.12 0.00 0.00 -1.03 0.00 0.00 54.13 55.22 3kti s LEU 189 Cb -0.14 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.48 3kti s LEU 189 CO 0.01 -0.38 0.00 0.35 0.23 0.00 0.00 176.35 176.57 3kti n THR 190 N 3.00 0.38 -0.82 5.49 -2.24 -1.26 -3.71 114.28 115.12 3kti n THR 190 Ca 0.06 0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 3kti n THR 190 Cb 0.46 -1.09 0.00 0.00 -2.10 0.00 0.00 70.33 67.60 3kti n THR 190 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91