#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 1.33 -0.05 5.18 6.09 -2.06 -2.70 117.51 125.30 3kti h ILE 19 Ca 0.00 -1.63 -0.13 0.00 -1.37 0.00 0.00 64.86 61.73 3kti h ILE 19 Cb 0.00 1.88 -0.01 0.00 0.47 0.00 0.00 36.82 39.16 3kti h ILE 19 CO 0.00 0.51 -0.55 1.88 -3.07 0.00 0.00 178.15 176.91 3kti h TYR 20 N 0.29 0.20 0.00 2.19 -1.99 -1.99 -1.92 116.97 113.74 3kti h TYR 20 Ca 0.00 -0.07 -0.07 0.00 2.00 0.00 0.00 58.73 60.60 3kti h TYR 20 Cb 1.00 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 39.69 3kti h TYR 20 CO 0.09 0.67 -0.33 0.77 -0.00 0.00 0.00 178.16 179.37 3kti h SER 21 N 0.12 0.00 0.82 3.88 0.02 -1.96 0.10 113.55 116.53 3kti h SER 21 Ca -0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 3kti h SER 21 Cb 1.01 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.53 3kti h SER 21 CO 0.08 0.33 -0.93 -0.09 -1.14 0.00 0.00 176.83 175.07 3kti h ARG 22 N 0.00 0.06 -0.06 3.45 9.65 -1.12 -2.73 114.38 123.63 3kti h ARG 22 Ca -0.00 -0.08 -0.21 0.00 -1.10 0.00 0.00 59.98 58.58 3kti h ARG 22 Cb 0.59 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.20 3kti h ARG 22 CO 0.04 0.95 -0.83 -0.07 2.80 0.00 0.00 179.97 182.86 3kti h LEU 23 N 0.03 0.62 -1.41 3.80 4.07 -0.59 -2.95 115.31 118.88 3kti h LEU 23 Ca -0.03 -0.44 -0.06 0.00 0.08 0.00 0.00 57.88 57.43 3kti h LEU 23 Cb 1.62 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 43.17 3kti h LEU 23 CO 0.13 1.21 -0.29 0.25 -1.08 0.00 0.00 178.44 178.66 3kti h LEU 24 N 0.32 0.00 -1.14 1.67 5.85 -0.80 -0.64 115.31 120.57 3kti h LEU 24 Ca -0.06 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3kti h LEU 24 Cb 1.44 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.43 3kti h LEU 24 CO 0.15 0.29 0.44 0.50 -0.34 0.00 0.00 178.44 179.48 3kti h LYS 25 N 0.00 1.03 -0.68 1.25 1.63 -1.31 0.13 116.57 118.63 3kti h LYS 25 Ca -0.00 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 3kti h LYS 25 Cb 0.57 -0.21 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 3kti h LYS 25 CO 0.04 0.74 0.00 -0.25 -3.45 0.00 0.00 179.45 176.52 3kti n ASP 26 N -4.37 2.44 -3.51 4.20 10.43 -0.55 -4.89 116.55 120.30 3kti n ASP 26 Ca 0.08 -2.25 -0.20 0.00 2.57 0.00 0.00 54.79 54.99 3kti n ASP 26 Cb 0.08 -0.46 0.08 0.00 1.84 0.00 0.00 41.12 42.66 3kti n ASP 26 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3kti n ARG 27 N 0.27 -6.93 -4.80 -1.24 1.74 0.47 -4.89 116.66 101.27 3kti n ARG 27 Ca 0.10 0.82 -0.32 0.00 -0.77 0.00 0.00 57.85 57.68 3kti n ARG 27 Cb 0.51 -5.82 -0.16 0.00 -1.02 0.00 0.00 32.46 25.96 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 -3.36 2.12 -0.11 0.55 1.01 -0.36 -1.83 121.20 119.22 3kti s ILE 28 Ca 0.20 -0.97 -0.00 0.00 0.00 0.00 0.00 60.65 59.89 3kti s ILE 28 Cb -0.09 -1.84 -0.02 0.00 0.01 0.00 0.00 42.46 40.52 3kti s ILE 28 CO 0.74 0.55 -0.11 -0.63 0.00 0.00 0.00 174.94 175.49 3kti s ILE 29 N 0.69 3.27 -0.31 2.92 1.01 0.62 -3.23 121.20 126.16 3kti s ILE 29 Ca -0.10 -0.60 -0.09 0.00 0.00 0.00 0.00 60.65 59.86 3kti s ILE 29 Cb -0.16 -2.37 -0.00 0.00 0.01 0.00 0.00 42.46 39.94 3kti s ILE 29 CO 0.01 0.54 0.15 -0.04 0.00 0.00 0.00 174.94 175.59 3kti s MET 30 N 0.05 3.28 -0.78 2.79 -1.94 -1.26 -0.83 119.30 120.61 3kti s MET 30 Ca -0.04 -0.75 -0.10 0.00 -1.71 0.00 0.00 55.69 53.09 3kti s MET 30 Cb -0.14 -3.55 0.20 0.00 2.01 0.00 0.00 34.83 33.36 3kti s MET 30 CO 0.04 -0.43 0.68 -1.17 -0.01 0.00 0.00 175.02 174.13 3kti s LEU 31 N 1.60 6.22 -0.29 -0.03 2.96 -0.10 -4.89 118.68 124.13 3kti s LEU 31 Ca 0.04 -2.84 0.09 0.00 -0.22 0.00 0.00 54.13 51.21 3kti s LEU 31 Cb -0.17 -2.09 0.51 0.00 0.50 0.00 0.00 46.19 44.94 3kti s LEU 31 CO 0.06 -0.48 1.47 0.61 -1.32 0.00 0.00 176.35 176.69 3kti n GLY 32 N 3.68 4.87 3.73 7.98 0.00 -1.26 -1.29 105.19 122.90 3kti n GLY 32 Ca 0.13 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.50 0.25 0.54 1.61 1.04 -1.18 -4.82 113.70 108.64 3kti s SER 33 Ca 0.45 -1.25 -0.22 0.00 0.48 0.00 0.00 55.95 55.41 3kti s SER 33 Cb 0.41 0.82 -0.05 0.00 0.10 0.00 0.00 66.02 67.29 3kti s SER 33 CO 0.00 -1.62 1.34 0.00 0.98 0.00 0.00 173.24 173.95 3kti s ALA 34 N -2.41 2.82 -0.33 5.32 0.00 -1.26 -4.48 121.76 121.41 3kti s ALA 34 Ca 0.19 1.31 -0.19 0.00 0.00 0.00 0.00 51.96 53.26 3kti s ALA 34 Cb -0.04 -3.56 -0.00 0.00 0.00 0.00 0.00 23.12 19.52 3kti s ALA 34 CO 0.14 -1.34 0.59 0.42 0.00 0.00 0.00 175.76 175.57 3kti s ILE 35 N -1.32 4.95 0.37 0.00 1.01 0.72 -4.89 121.20 122.05 3kti s ILE 35 Ca 0.71 0.59 0.03 0.00 0.00 0.00 0.00 60.65 61.99 3kti s ILE 35 Cb -0.40 -4.00 -0.01 0.00 0.01 0.00 0.00 42.46 38.06 3kti s ILE 35 CO 0.47 -0.21 0.11 -0.90 0.00 0.00 0.00 174.94 174.40 3kti n ASP 36 N 5.87 1.51 -0.37 3.58 3.85 -1.26 -0.53 116.55 129.20 3kti n ASP 36 Ca -0.03 -2.89 -0.01 0.00 -0.71 0.00 0.00 54.79 51.15 3kti n ASP 36 Cb 0.49 0.80 0.12 0.00 -1.35 0.00 0.00 41.12 41.18 3kti n ASP 36 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 3kti h ASP 37 N 1.36 1.12 -0.46 -1.12 3.32 -1.96 -1.27 116.42 117.41 3kti h ASP 37 Ca -0.29 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.72 3kti h ASP 37 Cb 1.06 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 3kti h ASP 37 CO 0.46 0.79 0.22 0.78 -1.72 0.00 0.00 179.24 179.77 3kti h ASN 38 N 1.31 0.60 -0.37 6.45 2.35 -1.99 0.56 115.58 124.49 3kti h ASN 38 Ca 0.38 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.96 3kti h ASN 38 Cb -0.10 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 3kti h ASN 38 CO -0.10 0.56 0.10 0.58 -1.65 0.00 0.00 177.43 176.93 3kti h VAL 39 N 0.60 1.22 -0.30 2.81 2.07 -1.85 -1.86 116.25 118.94 3kti h VAL 39 Ca 0.16 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.93 3kti h VAL 39 Cb 0.13 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3kti h VAL 39 CO -0.02 0.26 0.19 0.00 0.02 0.00 0.00 177.57 178.02 3kti h ALA 40 N 0.94 0.38 -0.30 1.67 0.00 -1.01 -1.16 119.26 119.78 3kti h ALA 40 Ca 0.12 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3kti h ALA 40 Cb 0.29 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3kti h ALA 40 CO -0.00 -0.15 0.08 -0.91 0.00 0.00 0.00 179.25 178.27 3kti h ASN 41 N 0.40 0.39 -0.09 0.00 -0.26 -0.79 0.74 115.58 115.97 3kti h ASN 41 Ca 0.11 -0.04 -0.03 0.00 -0.56 0.00 0.00 56.30 55.77 3kti h ASN 41 Cb -0.03 -0.10 -0.00 0.00 -1.06 0.00 0.00 38.32 37.13 3kti h ASN 41 CO -0.02 0.40 -0.07 -1.28 -1.06 0.00 0.00 177.43 175.39 3kti h SER 42 N 0.43 0.21 -0.60 5.81 0.87 -0.80 -2.39 113.55 117.07 3kti h SER 42 Ca 0.10 -0.47 -0.08 0.00 -1.23 0.00 0.00 61.79 60.11 3kti h SER 42 Cb 0.16 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 3kti h SER 42 CO -0.00 0.63 0.06 0.40 -0.53 0.00 0.00 176.83 177.39 3kti h ILE 43 N -0.21 1.26 -0.43 2.23 2.04 -0.95 -1.71 117.51 119.74 3kti h ILE 43 Ca 0.02 -1.07 0.02 0.00 1.00 0.00 0.00 64.86 64.82 3kti h ILE 43 Cb 0.57 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 3kti h ILE 43 CO 0.02 0.39 0.26 0.58 0.00 0.00 0.00 178.15 179.40 3kti h VAL 44 N 0.97 1.06 -0.38 1.67 2.07 -0.87 -0.26 116.25 120.51 3kti h VAL 44 Ca 0.19 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 3kti h VAL 44 Cb 0.48 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 3kti h VAL 44 CO 0.02 0.10 0.21 0.28 0.02 0.00 0.00 177.57 178.19 3kti h SER 45 N 0.53 0.47 -0.80 0.57 0.02 -1.20 -1.86 113.55 111.29 3kti h SER 45 Ca 0.17 -0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3kti h SER 45 Cb -0.01 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 3kti h SER 45 CO -0.07 0.43 0.52 1.56 -1.14 0.00 0.00 176.83 178.13 3kti h GLN 46 N 0.48 1.03 -0.73 3.45 4.20 -0.93 0.16 115.11 122.76 3kti h GLN 46 Ca 0.13 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 3kti h GLN 46 Cb 0.06 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.58 3kti h GLN 46 CO -0.02 0.68 0.33 -0.07 -0.67 0.00 0.00 178.83 179.08 3kti h LEU 47 N 1.06 0.97 -0.28 1.46 3.38 -0.71 -0.41 115.31 120.78 3kti h LEU 47 Ca 0.30 -0.12 -0.20 0.00 0.09 0.00 0.00 57.88 57.95 3kti h LEU 47 Cb -0.09 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.41 3kti h LEU 47 CO -0.08 0.84 -0.64 -0.07 0.09 0.00 0.00 178.44 178.58 3kti h LEU 48 N 1.05 0.90 0.61 1.67 3.38 -0.70 -2.04 115.31 120.17 3kti h LEU 48 Ca 0.25 -0.52 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 3kti h LEU 48 Cb 0.14 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.64 3kti h LEU 48 CO -0.03 1.31 -0.29 0.15 0.09 0.00 0.00 178.44 179.67 3kti h PHE 49 N 0.58 -0.75 -0.68 1.13 3.57 -0.33 -1.34 116.94 119.11 3kti h PHE 49 Ca -0.01 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.50 3kti h PHE 49 Cb 1.25 0.25 -0.04 0.00 2.79 0.00 0.00 35.95 40.20 3kti h PHE 49 CO 0.07 -0.44 0.45 -0.07 -2.23 0.00 0.00 178.31 176.09 3kti h LEU 50 N -0.89 0.71 -1.45 0.59 3.38 -1.15 0.18 115.31 116.68 3kti h LEU 50 Ca -0.08 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3kti h LEU 50 Cb 0.65 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3kti h LEU 50 CO 0.14 0.49 -0.28 0.00 0.09 0.00 0.00 178.44 178.88 3kti h ALA 51 N 1.60 1.45 0.01 1.53 0.00 -1.20 -2.12 119.26 120.52 3kti h ALA 51 Ca 0.27 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 3kti h ALA 51 Cb 0.05 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.80 3kti h ALA 51 CO -0.07 0.35 -0.38 0.00 0.00 0.00 0.00 179.25 179.15 3kti h ALA 52 N 1.72 0.04 -0.81 0.00 0.00 0.12 -2.55 119.26 117.78 3kti h ALA 52 Ca -0.00 -0.51 0.15 0.00 0.00 0.00 0.00 54.91 54.54 3kti h ALA 52 Cb 0.52 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 3kti h ALA 52 CO 0.04 0.18 0.38 0.93 0.00 0.00 0.00 179.25 180.78 3kti h GLU 53 N -0.39 0.53 -0.82 0.00 4.39 -0.77 -3.40 114.58 114.11 3kti h GLU 53 Ca -0.05 -0.03 0.13 0.00 0.34 0.00 0.00 59.36 59.75 3kti h GLU 53 Cb 1.13 -0.12 -0.21 0.00 -0.10 0.00 0.00 28.75 29.45 3kti h GLU 53 CO 0.07 0.35 -0.16 0.34 -1.16 0.00 0.00 179.01 178.45 3kti s ASP 54 N -5.39 -1.14 0.00 1.42 -1.08 -0.82 -5.02 116.67 104.63 3kti s ASP 54 Ca -0.12 0.72 0.19 0.00 -0.52 0.00 0.00 52.55 52.82 3kti s ASP 54 Cb 0.21 1.96 0.87 0.00 -1.46 0.00 0.00 42.92 44.51 3kti s ASP 54 CO 0.77 -0.21 1.58 -0.81 0.52 0.00 0.00 175.17 177.02 3kti n PRO 55 N 5.44 0.15 -0.11 4.34 -0.04 -0.96 -3.20 135.00 140.62 3kti n PRO 55 Ca -0.03 0.14 -0.20 0.00 -0.04 0.00 0.00 63.50 63.38 3kti n PRO 55 Cb 0.52 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.38 0.65 -1.70 0.54 -0.58 -1.26 -2.74 120.64 114.17 3kti n GLU 56 Ca 0.07 0.19 -0.44 0.00 -0.42 0.00 0.00 57.16 56.56 3kti n GLU 56 Cb 0.18 -1.54 -0.03 0.00 -0.57 0.00 0.00 31.44 29.48 3kti n GLU 56 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3kti n LYS 57 N -3.44 2.36 -1.92 3.49 4.76 -1.19 -4.73 118.16 117.50 3kti n LYS 57 Ca -0.45 0.85 -0.34 0.00 -2.87 0.00 0.00 58.31 55.50 3kti n LYS 57 Cb 0.98 -2.60 0.03 0.00 -1.84 0.00 0.00 35.03 31.60 3kti n LYS 57 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3kti s GLU 58 N 0.26 2.96 0.01 1.97 2.12 -1.26 -4.59 118.70 120.17 3kti s GLU 58 Ca 0.72 1.50 0.08 0.00 0.36 0.00 0.00 54.97 57.62 3kti s GLU 58 Cb -0.60 -1.96 -0.02 0.00 0.26 0.00 0.00 34.13 31.81 3kti s GLU 58 CO 0.43 -1.14 -0.23 0.42 -0.54 0.00 0.00 175.26 174.19 3kti s ILE 59 N -2.10 1.83 -0.14 -3.70 1.01 -0.60 -4.91 121.20 112.59 3kti s ILE 59 Ca 0.70 -1.11 -0.00 0.00 0.00 0.00 0.00 60.65 60.23 3kti s ILE 59 Cb -0.22 -1.55 -0.01 0.00 0.01 0.00 0.00 42.46 40.69 3kti s ILE 59 CO 0.36 0.41 -0.13 -0.44 0.00 0.00 0.00 174.94 175.14 3kti s SER 60 N -0.83 3.97 -0.32 3.58 0.01 -0.76 -1.17 113.70 118.18 3kti s SER 60 Ca 0.09 -0.35 -0.04 0.00 1.31 0.00 0.00 55.95 56.96 3kti s SER 60 Cb -0.09 -1.61 0.04 0.00 0.21 0.00 0.00 66.02 64.58 3kti s SER 60 CO 0.00 0.15 0.04 -0.22 0.41 0.00 0.00 173.24 173.62 3kti s LEU 61 N 0.47 4.06 -0.07 2.44 2.96 -0.24 -0.28 118.68 128.02 3kti s LEU 61 Ca -0.09 -1.20 -0.21 0.00 -0.22 0.00 0.00 54.13 52.41 3kti s LEU 61 Cb -0.16 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 3kti s LEU 61 CO 0.05 -0.28 0.60 -0.31 -1.32 0.00 0.00 176.35 175.08 3kti s TYR 62 N 1.32 3.57 -0.15 5.38 1.51 -0.01 -1.57 117.35 127.40 3kti s TYR 62 Ca -0.04 1.11 0.00 0.00 -1.01 0.00 0.00 57.07 57.14 3kti s TYR 62 Cb -0.20 -2.67 0.02 0.00 -0.11 0.00 0.00 41.96 39.01 3kti s TYR 62 CO 0.01 0.17 -0.14 0.42 -1.11 0.00 0.00 175.55 174.89 3kti s ILE 63 N 0.54 1.62 -0.41 2.71 1.01 0.13 -0.93 121.20 125.87 3kti s ILE 63 Ca 0.32 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 60.32 3kti s ILE 63 Cb -0.17 -1.53 0.17 0.00 0.01 0.00 0.00 42.46 40.94 3kti s ILE 63 CO 0.15 0.45 0.34 0.21 0.00 0.00 0.00 174.94 176.09 3kti s ASN 64 N 1.46 1.49 0.00 3.58 2.47 -0.41 -0.53 114.94 123.00 3kti s ASN 64 Ca 0.05 -2.85 -0.07 0.00 0.42 0.00 0.00 52.86 50.41 3kti s ASN 64 Cb -0.13 -0.30 0.00 0.00 -1.45 0.00 0.00 41.25 39.37 3kti s ASN 64 CO -0.11 -0.19 0.13 -0.55 -3.72 0.00 0.00 177.10 172.66 3kti s SER 65 N 0.27 0.04 0.00 -4.21 0.15 0.38 -3.08 113.70 107.25 3kti s SER 65 Ca 0.30 -0.21 0.15 0.00 0.70 0.00 0.00 55.95 56.89 3kti s SER 65 Cb -0.00 0.20 0.44 0.00 -1.71 0.00 0.00 66.02 64.94 3kti s SER 65 CO -0.16 -0.36 1.37 -0.81 1.20 0.00 0.00 173.24 174.48 3kti n PRO 66 N 1.51 2.15 0.00 5.44 -0.04 -1.26 -1.37 135.00 141.42 3kti n PRO 66 Ca -0.23 -1.79 0.00 0.00 -0.04 0.00 0.00 63.50 61.45 3kti n PRO 66 Cb 0.56 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 1.29 -0.80 0.00 0.55 0.00 -0.97 -4.44 105.19 100.81 3kti n GLY 67 Ca 0.17 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.18 3.72 -0.02 0.00 -1.26 -0.20 105.19 107.25 3kti n GLY 68 Ca 0.00 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 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 6.38 0.11 1.61 0.15 0.31 -4.80 113.70 113.46 3kti s SER 69 Ca 0.00 2.87 -0.16 0.00 0.70 0.00 0.00 55.95 59.36 3kti s SER 69 Cb 0.00 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.67 3kti s SER 69 CO 0.00 -0.97 1.55 0.40 1.20 0.00 0.00 173.24 175.42 3kti h ILE 70 N 3.79 1.26 -0.42 6.45 2.04 -1.97 -1.31 117.51 127.35 3kti h ILE 70 Ca -0.43 -0.97 -0.10 0.00 1.00 0.00 0.00 64.86 64.36 3kti h ILE 70 Cb 1.20 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 3kti h ILE 70 CO 0.95 0.32 -0.13 0.71 0.00 0.00 0.00 178.15 180.01 3kti h THR 71 N 0.43 1.26 -0.59 -0.27 1.35 -1.98 0.42 112.91 113.52 3kti h THR 71 Ca 0.10 -1.19 -0.10 0.00 -0.55 0.00 0.00 66.41 64.67 3kti h THR 71 Cb 0.45 1.07 -0.02 0.00 -1.73 0.00 0.00 68.15 67.92 3kti h THR 71 CO 0.02 0.40 -0.04 0.00 -0.25 0.00 0.00 175.52 175.66 3kti h ALA 72 N 1.16 0.80 -0.35 6.62 0.00 -1.88 -1.33 119.26 124.29 3kti h ALA 72 Ca 0.11 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 3kti h ALA 72 Cb 0.61 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3kti h ALA 72 CO 0.04 0.67 0.02 0.78 0.00 0.00 0.00 179.25 180.76 3kti h GLY 73 N 0.97 0.65 1.92 0.00 0.00 -0.91 -2.80 103.07 102.90 3kti h GLY 73 Ca 0.16 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 3kti h GLY 73 CO 0.04 0.43 -0.10 -0.33 0.00 0.00 0.00 176.54 176.58 3kti h MET 74 N 0.41 0.10 -0.61 4.80 2.86 -0.73 -0.83 114.93 120.94 3kti h MET 74 Ca 0.10 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.67 3kti h MET 74 Cb 0.43 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 3kti h MET 74 CO 0.01 0.20 0.17 0.00 1.06 0.00 0.00 176.91 178.36 3kti h ALA 75 N 1.81 1.16 -0.11 6.32 0.00 -0.98 0.12 119.26 127.58 3kti h ALA 75 Ca 0.02 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 3kti h ALA 75 Cb 0.23 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kti h ALA 75 CO 0.01 0.58 -0.31 0.82 0.00 0.00 0.00 179.25 180.35 3kti h ILE 76 N 0.89 1.39 -0.07 0.00 2.04 -1.19 -2.52 117.51 118.04 3kti h ILE 76 Ca 0.20 -1.62 0.04 0.00 1.00 0.00 0.00 64.86 64.47 3kti h ILE 76 Cb 0.28 2.13 -0.05 0.00 -0.74 0.00 0.00 36.82 38.45 3kti h ILE 76 CO -0.01 0.48 -0.25 0.22 0.00 0.00 0.00 178.15 178.60 3kti h TYR 77 N -0.02 -0.66 -0.77 1.37 3.20 -0.87 -0.47 116.97 118.76 3kti h TYR 77 Ca -0.01 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.90 3kti h TYR 77 Cb 0.92 0.30 -0.04 0.00 1.54 0.00 0.00 36.73 39.46 3kti h TYR 77 CO 0.11 -0.33 0.51 -0.44 -1.64 0.00 0.00 178.16 176.37 3kti h ASP 78 N -0.34 0.87 -0.56 -2.11 3.45 -0.80 -1.54 116.42 115.39 3kti h ASP 78 Ca 0.08 -0.02 -0.10 0.00 0.43 0.00 0.00 57.03 57.43 3kti h ASP 78 Cb 0.46 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 39.00 3kti h ASP 78 CO -0.27 0.62 -0.03 0.74 -1.57 0.00 0.00 179.24 178.74 3kti h THR 79 N 1.02 1.26 -0.67 0.35 2.02 -0.94 -0.15 112.91 115.82 3kti h THR 79 Ca 0.29 -1.16 -0.04 0.00 0.77 0.00 0.00 66.41 66.26 3kti h THR 79 Cb -0.08 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 3kti h THR 79 CO -0.07 0.42 0.25 0.24 0.37 0.00 0.00 175.52 176.73 3kti h MET 80 N 0.93 0.99 -0.04 6.66 2.86 -0.31 -2.20 114.93 123.82 3kti h MET 80 Ca 0.16 -0.17 -0.18 0.00 -2.06 0.00 0.00 59.70 57.45 3kti h MET 80 Cb 0.57 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 3kti h MET 80 CO 0.03 0.82 -0.76 1.96 1.06 0.00 0.00 176.91 180.02 3kti h GLN 81 N 0.97 0.28 0.07 1.72 1.08 -0.95 -3.34 115.11 114.93 3kti h GLN 81 Ca 0.22 -0.25 -0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3kti h GLN 81 Cb 0.21 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 3kti h GLN 81 CO -0.02 0.91 -0.03 0.35 -0.95 0.00 0.00 178.83 179.09 3kti h PHE 82 N 0.18 -0.08 -4.11 2.96 3.57 -0.61 -3.46 116.94 115.39 3kti h PHE 82 Ca -0.03 -0.00 -0.54 0.00 3.53 0.00 0.00 57.97 60.93 3kti h PHE 82 Cb 1.34 0.03 0.14 0.00 2.79 0.00 0.00 35.95 40.24 3kti h PHE 82 CO 0.03 0.35 0.48 0.96 -2.23 0.00 0.00 178.31 177.90 3kti s ILE 83 N -4.32 2.35 -0.01 1.41 -4.36 -0.87 -4.97 121.20 110.43 3kti s ILE 83 Ca -0.15 0.21 -0.25 0.00 -0.26 0.00 0.00 60.65 60.20 3kti s ILE 83 Cb 0.02 -3.05 -0.20 0.00 1.25 0.00 0.00 42.46 40.49 3kti s ILE 83 CO 0.63 -0.05 1.32 0.11 0.24 0.00 0.00 174.94 177.19 3kti h LYS 84 N 0.61 0.01 -6.36 0.37 1.79 -1.89 -3.45 116.57 107.65 3kti h LYS 84 Ca -0.50 -0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.33 3kti h LYS 84 Cb 1.31 -0.00 0.10 0.00 -1.58 0.00 0.00 32.23 32.06 3kti h LYS 84 CO 0.54 0.44 0.08 -2.30 -1.08 0.00 0.00 179.45 177.13 3kti n PRO 85 N -4.87 1.09 -2.59 3.15 -0.02 -1.11 -4.92 135.00 125.74 3kti n PRO 85 Ca -0.08 0.39 -0.40 0.00 -2.02 0.00 0.00 63.50 61.38 3kti n PRO 85 Cb 0.23 -1.75 -0.05 0.00 -0.02 0.00 0.00 33.50 31.91 3kti n PRO 85 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3kti s LYS 86 N -1.08 4.70 -0.30 -0.52 1.02 -1.26 -4.85 119.74 117.44 3kti s LYS 86 Ca 0.64 1.66 -0.03 0.00 0.02 0.00 0.00 55.97 58.26 3kti s LYS 86 Cb -0.79 -3.25 0.04 0.00 -0.52 0.00 0.00 37.83 33.31 3kti s LYS 86 CO 0.57 0.27 0.02 0.08 -0.92 0.00 0.00 175.35 175.37 3kti s VAL 87 N -0.83 3.21 0.44 3.17 1.01 -1.26 -1.56 120.40 124.57 3kti s VAL 87 Ca 0.45 -1.25 -0.09 0.00 0.00 0.00 0.00 61.98 61.09 3kti s VAL 87 Cb -0.29 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 3kti s VAL 87 CO 0.36 -0.08 0.78 -0.94 0.00 0.00 0.00 175.10 175.22 3kti s SER 88 N 1.31 6.42 0.01 3.32 1.04 -0.32 -0.58 113.70 124.91 3kti s SER 88 Ca -0.03 1.07 0.05 0.00 0.48 0.00 0.00 55.95 57.52 3kti s SER 88 Cb -0.19 -2.30 -0.02 0.00 0.10 0.00 0.00 66.02 63.61 3kti s SER 88 CO -0.00 -0.48 -0.16 0.42 0.98 0.00 0.00 173.24 174.00 3kti s THR 89 N -2.52 1.26 -0.09 2.02 -4.23 -0.53 -1.08 115.64 110.47 3kti s THR 89 Ca 0.50 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 60.16 3kti s THR 89 Cb -0.10 -1.09 0.02 0.00 1.34 0.00 0.00 72.50 72.67 3kti s THR 89 CO 0.37 0.22 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.97 3kti s ILE 90 N -0.59 0.87 -0.37 2.99 1.09 -0.61 0.13 121.20 124.72 3kti s ILE 90 Ca 0.05 -0.23 -0.21 0.00 -1.10 0.00 0.00 60.65 59.15 3kti s ILE 90 Cb -0.07 -0.89 0.01 0.00 -1.06 0.00 0.00 42.46 40.45 3kti s ILE 90 CO 0.00 0.33 0.68 0.00 -0.10 0.00 0.00 174.94 175.85 3kti s ILE 92 N 2.84 3.06 0.00 0.00 1.01 0.31 -2.11 121.20 126.30 3kti s ILE 92 Ca 0.26 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 60.14 3kti s ILE 92 Cb -0.14 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.87 3kti s ILE 92 CO 0.16 0.32 0.00 0.61 0.00 0.00 0.00 174.94 176.03 3kti n GLY 93 N 4.73 2.36 3.29 6.18 0.00 -1.26 -3.93 105.19 116.55 3kti n GLY 93 Ca -0.18 0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 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 0.45 -0.36 1.61 -2.45 -1.26 -1.35 119.30 115.94 3kti s MET 94 Ca 0.00 0.60 0.00 0.00 -1.25 0.00 0.00 55.69 55.04 3kti s MET 94 Cb 0.00 0.18 0.12 0.00 1.25 0.00 0.00 34.83 36.37 3kti s MET 94 CO 0.00 -0.08 0.15 0.00 1.05 0.00 0.00 175.02 176.15 3kti s ALA 95 N 0.45 1.66 0.11 4.11 0.00 -0.58 -0.47 121.76 127.04 3kti s ALA 95 Ca -0.02 -1.98 0.08 0.00 0.00 0.00 0.00 51.96 50.03 3kti s ALA 95 Cb -0.04 -1.71 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 3kti s ALA 95 CO -0.02 -1.84 -0.13 0.00 0.00 0.00 0.00 175.76 173.77 3kti s ALA 96 N 1.16 2.87 0.00 0.00 0.00 -0.47 -2.21 121.76 123.11 3kti s ALA 96 Ca 0.13 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.81 3kti s ALA 96 Cb -0.20 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.10 3kti s ALA 96 CO -0.14 0.63 0.00 0.45 0.00 0.00 0.00 175.76 176.69 3kti n SER 97 N 0.73 0.00 0.23 0.00 2.88 0.42 -0.46 113.62 117.43 3kti n SER 97 Ca -0.14 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.56 3kti n SER 97 Cb 0.52 0.00 0.67 0.00 -0.75 0.00 0.00 64.21 64.65 3kti n SER 97 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 3kti h MET 98 N 0.00 0.00 -0.19 -1.46 0.00 -1.87 -1.06 114.93 110.36 3kti h MET 98 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 59.70 59.52 3kti h MET 98 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 31.60 31.60 3kti h MET 98 CO 0.00 0.00 -0.61 0.78 0.00 0.00 0.00 176.91 177.08 3kti h GLY 99 N 1.83 0.70 1.20 8.32 0.00 -1.06 -1.05 103.07 113.01 3kti h GLY 99 Ca 0.00 -0.86 -0.19 0.00 0.00 0.00 0.00 47.33 46.28 3kti h GLY 99 CO 0.00 0.77 -0.59 0.00 0.00 0.00 0.00 176.54 176.72 3kti h ALA 100 N 0.85 0.46 -0.64 3.60 0.00 -1.31 -1.44 119.26 120.78 3kti h ALA 100 Ca -0.01 -0.53 0.03 0.00 0.00 0.00 0.00 54.91 54.40 3kti h ALA 100 Cb 1.18 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 3kti h ALA 100 CO 0.12 0.68 0.40 0.35 0.00 0.00 0.00 179.25 180.80 3kti h PHE 101 N 0.62 0.74 -0.34 0.00 3.57 -1.09 0.12 116.94 120.58 3kti h PHE 101 Ca 0.00 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.37 3kti h PHE 101 Cb 1.20 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 3kti h PHE 101 CO 0.07 0.43 -0.39 -0.07 -2.23 0.00 0.00 178.31 176.12 3kti h LEU 102 N 0.78 0.86 0.13 0.59 3.38 -1.12 -1.85 115.31 118.09 3kti h LEU 102 Ca 0.26 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.84 3kti h LEU 102 Cb 0.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3kti h LEU 102 CO -0.10 1.15 -0.16 0.25 0.09 0.00 0.00 178.44 179.67 3kti h LEU 103 N 0.66 -0.43 -0.89 1.67 5.85 -0.66 -1.26 115.31 120.25 3kti h LEU 103 Ca 0.05 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3kti h LEU 103 Cb 0.95 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.14 3kti h LEU 103 CO 0.09 -0.24 0.00 0.00 -0.34 0.00 0.00 178.44 177.95 3kti n ALA 104 N -2.40 1.40 1.56 1.25 0.00 -0.02 -1.91 120.51 120.39 3kti n ALA 104 Ca -0.07 0.12 0.14 0.00 0.00 0.00 0.00 53.44 53.62 3kti n ALA 104 Cb 0.20 -1.33 0.58 0.00 0.00 0.00 0.00 19.45 18.90 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 -1.74 2.59 -1.29 0.00 0.00 -0.48 -4.86 120.51 114.73 3kti n ALA 105 Ca 0.01 -0.41 -0.31 0.00 0.00 0.00 0.00 53.44 52.72 3kti n ALA 105 Cb 0.14 -1.21 0.09 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.98 1.78 0.06 0.00 0.00 -0.80 -4.89 107.32 101.48 3kti s GLY 106 Ca 0.39 0.34 -0.38 0.00 0.00 0.00 0.00 44.72 45.08 3kti s GLY 106 CO 0.34 0.70 1.28 -2.21 0.00 0.00 0.00 173.10 173.20 3kti n GLU 107 N -3.32 0.86 -1.66 2.90 4.07 0.26 -4.79 120.64 118.95 3kti n GLU 107 Ca 0.09 0.31 -0.47 0.00 -0.06 0.00 0.00 57.16 57.03 3kti n GLU 107 Cb 0.53 -1.92 -0.05 0.00 -0.06 0.00 0.00 31.44 29.94 3kti n GLU 107 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3kti n LYS 108 N 2.33 2.02 0.00 5.31 4.01 -1.26 -0.42 118.16 130.15 3kti n LYS 108 Ca 0.19 0.73 0.00 0.00 -0.51 0.00 0.00 58.31 58.72 3kti n LYS 108 Cb 0.16 -2.49 0.00 0.00 -0.51 0.00 0.00 35.03 32.19 3kti n LYS 108 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3kti n GLY 109 N 3.49 1.73 0.77 0.72 0.00 -1.26 -4.88 105.19 105.77 3kti n GLY 109 Ca 0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.23 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 1.67 -3.72 1.61 4.76 0.45 -4.86 118.16 116.07 3kti n LYS 110 Ca 0.00 -3.24 -0.38 0.00 -2.87 0.00 0.00 58.31 51.83 3kti n LYS 110 Cb 0.00 -1.68 -0.12 0.00 -1.84 0.00 0.00 35.03 31.38 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 -3.22 3.34 0.34 1.97 0.52 -1.24 -1.46 118.95 119.20 3kti s ARG 111 Ca 0.40 -0.70 0.09 0.00 -0.52 0.00 0.00 55.73 55.00 3kti s ARG 111 Cb 0.38 -3.43 -0.06 0.00 0.52 0.00 0.00 34.95 32.36 3kti s ARG 111 CO -0.04 -0.36 0.00 0.71 0.02 0.00 0.00 175.30 175.63 3kti s TYR 112 N 1.57 2.53 -0.14 -0.53 1.51 0.34 -0.29 117.35 122.34 3kti s TYR 112 Ca 0.04 -0.45 -0.13 0.00 -1.01 0.00 0.00 57.07 55.52 3kti s TYR 112 Cb -0.17 -1.49 0.04 0.00 -0.11 0.00 0.00 41.96 40.23 3kti s TYR 112 CO 0.04 0.48 0.38 0.00 -1.11 0.00 0.00 175.55 175.34 3kti s ALA 113 N -2.53 -0.93 0.57 3.71 0.00 -0.93 -0.45 121.76 121.20 3kti s ALA 113 Ca 0.35 1.06 -0.17 0.00 0.00 0.00 0.00 51.96 53.20 3kti s ALA 113 Cb 0.00 -0.62 -0.05 0.00 0.00 0.00 0.00 23.12 22.46 3kti s ALA 113 CO 0.19 -0.18 1.05 -0.51 0.00 0.00 0.00 175.76 176.31 3kti s LEU 114 N 0.21 3.57 0.28 0.00 1.43 -0.90 -1.41 118.68 121.87 3kti s LEU 114 Ca -0.00 1.82 -0.06 0.00 -1.03 0.00 0.00 54.13 54.86 3kti s LEU 114 Cb -0.03 -4.54 0.51 0.00 0.03 0.00 0.00 46.19 42.16 3kti s LEU 114 CO 0.00 -1.06 1.56 -0.65 0.23 0.00 0.00 176.35 176.43 3kti h PRO 115 N 0.68 0.00 -0.62 1.29 0.11 -1.92 -0.95 132.00 130.59 3kti h PRO 115 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3kti h PRO 115 Cb 1.22 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3kti h PRO 115 CO 0.58 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.46 3kti n ASN 116 N -5.61 4.58 -4.68 -2.05 4.13 -1.26 -4.45 115.26 105.93 3kti n ASN 116 Ca 0.17 -2.42 -0.31 0.00 1.68 0.00 0.00 54.58 53.70 3kti n ASN 116 Cb 0.54 -0.55 0.16 0.00 -1.54 0.00 0.00 39.78 38.39 3kti n ASN 116 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3kti s SER 117 N -0.98 3.07 -0.00 6.41 0.01 -0.36 -4.85 113.70 116.99 3kti s SER 117 Ca 0.49 1.99 0.04 0.00 1.31 0.00 0.00 55.95 59.78 3kti s SER 117 Cb 0.31 -2.50 -0.01 0.00 0.21 0.00 0.00 66.02 64.03 3kti s SER 117 CO 0.24 -2.97 -0.13 -0.70 0.41 0.00 0.00 173.24 170.09 3kti s GLU 118 N -4.70 1.00 -0.01 12.44 2.12 -0.46 -3.23 118.70 125.86 3kti s GLU 118 Ca 0.66 -0.48 0.06 0.00 0.36 0.00 0.00 54.97 55.57 3kti s GLU 118 Cb -0.21 -0.97 -0.02 0.00 0.26 0.00 0.00 34.13 33.19 3kti s GLU 118 CO 0.58 0.26 -0.19 0.08 -0.54 0.00 0.00 175.26 175.46 3kti s VAL 119 N -0.35 1.47 -0.02 3.70 1.01 -0.44 -1.53 120.40 124.24 3kti s VAL 119 Ca 0.04 -0.83 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 3kti s VAL 119 Cb -0.05 -1.23 0.03 0.00 0.00 0.00 0.00 36.38 35.13 3kti s VAL 119 CO -0.00 0.39 0.03 -0.32 0.00 0.00 0.00 175.10 175.20 3kti s MET 120 N -0.51 -0.04 0.21 2.72 0.00 -0.94 0.49 119.30 121.22 3kti s MET 120 Ca 0.07 0.21 0.11 0.00 0.00 0.00 0.00 55.69 56.09 3kti s MET 120 Cb -0.07 -0.28 -0.04 0.00 0.00 0.00 0.00 34.83 34.43 3kti s MET 120 CO -0.00 -0.19 -0.23 0.96 0.00 0.00 0.00 175.02 175.56 3kti s ILE 121 N 1.21 2.40 0.00 10.11 -4.36 -0.87 -0.43 121.20 129.25 3kti s ILE 121 Ca -0.07 -2.07 0.00 0.00 -0.26 0.00 0.00 60.65 58.24 3kti s ILE 121 Cb -0.13 -2.17 0.00 0.00 1.25 0.00 0.00 42.46 41.42 3kti s ILE 121 CO -0.03 -0.16 0.00 0.00 0.24 0.00 0.00 174.94 174.99 3kti n HIS 122 N 0.13 -0.33 -3.50 1.37 1.44 -1.26 -1.42 115.22 111.65 3kti n HIS 122 Ca -0.11 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.36 3kti n HIS 122 Cb 0.57 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.66 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 -1.35 3.46 0.56 -1.40 -2.07 -0.75 -4.90 119.66 113.21 3kti s GLN 123 Ca 0.00 -0.43 -0.21 0.00 -1.82 0.00 0.00 55.36 52.90 3kti s GLN 123 Cb 0.00 -2.71 -0.05 0.00 -1.09 0.00 0.00 33.01 29.16 3kti s GLN 123 CO 0.00 0.20 1.23 -2.30 -1.32 0.00 0.00 175.29 173.10 3kti n PRO 124 N -1.71 1.40 -4.32 9.60 -0.02 -1.26 -5.02 135.00 133.66 3kti n PRO 124 Ca -0.06 0.52 -0.30 0.00 -2.02 0.00 0.00 63.50 61.64 3kti n PRO 124 Cb 0.56 -2.43 -0.10 0.00 -0.02 0.00 0.00 33.50 31.51 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 -2.97 3.02 0.00 2.45 1.43 -1.26 -5.08 118.68 116.27 3kti s LEU 125 Ca 0.73 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 3kti s LEU 125 Cb -0.42 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.00 3kti s LEU 125 CO 0.48 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.88 3kti n GLY 126 N 0.97 1.17 3.23 -3.19 0.00 -1.26 -5.05 105.19 101.06 3kti n GLY 126 Ca -0.14 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.93 0.51 -0.25 -0.02 0.00 -1.26 -5.15 107.32 99.23 3kti s GLY 127 Ca 0.00 -1.00 -0.10 0.00 0.00 0.00 0.00 44.72 43.62 3kti s GLY 127 CO 0.00 -1.01 0.55 0.00 0.00 0.00 0.00 173.10 172.64 3kti s ALA 128 N -3.96 -1.60 0.03 3.20 0.00 -1.26 -4.92 121.76 113.25 3kti s ALA 128 Ca 0.15 1.98 0.02 0.00 0.00 0.00 0.00 51.96 54.10 3kti s ALA 128 Cb 0.05 -1.47 -0.02 0.00 0.00 0.00 0.00 23.12 21.69 3kti s ALA 128 CO -0.03 -0.70 -0.07 -1.14 0.00 0.00 0.00 175.76 173.82 3kti s GLN 129 N 2.42 0.49 0.00 0.00 2.00 -1.26 -4.94 119.66 118.36 3kti s GLN 129 Ca -0.06 -0.61 0.00 0.00 -2.00 0.00 0.00 55.36 52.69 3kti s GLN 129 Cb -0.10 -0.29 0.00 0.00 0.80 0.00 0.00 33.01 33.41 3kti s GLN 129 CO -0.16 0.06 0.00 0.41 -0.50 0.00 0.00 175.29 175.10 3kti n GLY 130 N 1.82 0.49 3.79 2.59 0.00 -1.26 -4.64 105.19 107.98 3kti n GLY 130 Ca -0.20 -2.07 -0.31 0.00 0.00 0.00 0.00 46.02 43.44 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 -0.44 2.55 0.26 1.61 -0.21 -1.26 -4.78 119.66 117.39 3kti s GLN 131 Ca 0.00 1.06 -0.05 0.00 0.02 0.00 0.00 55.36 56.38 3kti s GLN 131 Cb 0.00 -1.94 0.49 0.00 1.00 0.00 0.00 33.01 32.56 3kti s GLN 131 CO 0.00 -1.41 1.63 0.00 -2.12 0.00 0.00 175.29 173.39 3kti h ALA 132 N -0.95 0.86 0.00 6.09 0.00 -1.99 0.67 119.26 123.95 3kti h ALA 132 Ca -0.44 0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3kti h ALA 132 Cb 1.22 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 3kti h ALA 132 CO 0.54 -0.44 -0.22 1.15 0.00 0.00 0.00 179.25 180.28 3kti h THR 133 N 0.10 1.08 -0.02 0.00 2.02 -1.99 -0.88 112.91 113.22 3kti h THR 133 Ca 0.44 -0.79 -0.23 0.00 0.77 0.00 0.00 66.41 66.61 3kti h THR 133 Cb 0.80 1.43 0.02 0.00 -1.74 0.00 0.00 68.15 68.66 3kti h THR 133 CO -0.69 0.22 -0.87 -0.33 0.37 0.00 0.00 175.52 174.22 3kti h GLU 134 N 0.00 0.62 -0.33 6.66 5.08 -1.25 -2.68 114.58 122.69 3kti h GLU 134 Ca -0.00 -0.64 -0.04 0.00 -1.00 0.00 0.00 59.36 57.67 3kti h GLU 134 Cb 0.42 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3kti h GLU 134 CO 0.03 1.25 0.01 0.82 -1.00 0.00 0.00 179.01 180.12 3kti h ILE 135 N 0.26 1.19 -0.32 3.13 2.04 -0.99 -2.08 117.51 120.74 3kti h ILE 135 Ca -0.10 -0.73 -0.10 0.00 1.00 0.00 0.00 64.86 64.92 3kti h ILE 135 Cb 1.54 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 3kti h ILE 135 CO 0.17 0.25 -0.23 -0.08 0.00 0.00 0.00 178.15 178.27 3kti h GLU 136 N 0.49 0.61 -0.01 2.37 4.81 -1.11 -0.84 114.58 120.89 3kti h GLU 136 Ca 0.11 -0.23 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3kti h GLU 136 Cb 0.30 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 3kti h GLU 136 CO 0.01 0.79 0.00 0.82 -0.73 0.00 0.00 179.01 179.90 3kti h ILE 137 N 0.54 1.17 -0.79 2.32 1.08 -1.04 -1.23 117.51 119.56 3kti h ILE 137 Ca 0.08 -0.49 -0.05 0.00 -0.39 0.00 0.00 64.86 64.01 3kti h ILE 137 Cb 0.68 1.48 -0.03 0.00 -3.07 0.00 0.00 36.82 35.88 3kti h ILE 137 CO 0.05 0.13 0.31 0.00 -0.69 0.00 0.00 178.15 177.95 3kti h ALA 138 N 0.80 1.02 0.38 1.87 0.00 -1.35 -2.00 119.26 119.99 3kti h ALA 138 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3kti h ALA 138 Cb 0.21 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3kti h ALA 138 CO -0.00 0.65 -0.18 0.00 0.00 0.00 0.00 179.25 179.72 3kti h ALA 139 N 1.16 -0.51 -0.95 0.00 0.00 -1.07 -0.82 119.26 117.08 3kti h ALA 139 Ca 0.26 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.13 3kti h ALA 139 Cb 0.22 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 3kti h ALA 139 CO -0.02 -0.75 0.61 0.87 0.00 0.00 0.00 179.25 179.96 3kti h LYS 140 N -0.59 0.94 0.01 0.00 1.57 -1.15 -0.79 116.57 116.56 3kti h LYS 140 Ca -0.05 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3kti h LYS 140 Cb 0.44 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3kti h LYS 140 CO 0.09 0.62 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.49 3kti h ARG 141 N 0.97 -0.02 -0.07 3.15 2.43 -1.03 -1.91 114.38 117.89 3kti h ARG 141 Ca 0.44 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.54 3kti h ARG 141 Cb 0.39 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3kti h ARG 141 CO -0.20 0.28 -0.28 0.97 -1.51 0.00 0.00 179.97 179.22 3kti h ILE 142 N -0.31 1.23 -0.15 1.20 2.10 -0.82 -1.35 117.51 119.41 3kti h ILE 142 Ca -0.00 -1.10 -0.13 0.00 1.08 0.00 0.00 64.86 64.71 3kti h ILE 142 Cb 0.30 1.49 -0.01 0.00 -1.09 0.00 0.00 36.82 37.52 3kti h ILE 142 CO 0.00 0.33 -0.45 -0.07 -1.08 0.00 0.00 178.15 176.87 3kti h LEU 143 N 0.12 0.40 -0.46 2.19 3.38 -1.09 -2.08 115.31 117.78 3kti h LEU 143 Ca 0.02 -0.19 -0.16 0.00 0.09 0.00 0.00 57.88 57.64 3kti h LEU 143 Cb 0.57 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3kti h LEU 143 CO 0.04 0.80 -0.42 -0.07 0.09 0.00 0.00 178.44 178.88 3kti h LEU 144 N 0.31 0.88 -0.45 1.67 3.38 -0.69 -2.66 115.31 117.74 3kti h LEU 144 Ca 0.02 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 3kti h LEU 144 Cb 0.92 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 3kti h LEU 144 CO 0.08 1.18 0.23 -0.07 0.09 0.00 0.00 178.44 179.94 3kti h LEU 145 N 0.66 0.58 -1.06 1.67 3.38 -1.08 -1.09 115.31 118.37 3kti h LEU 145 Ca 0.05 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3kti h LEU 145 Cb 0.99 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 3kti h LEU 145 CO 0.10 0.53 0.55 -0.09 0.09 0.00 0.00 178.44 179.61 3kti h ARG 146 N 0.59 1.19 -0.12 1.13 2.43 -1.33 0.14 114.38 118.40 3kti h ARG 146 Ca 0.16 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3kti h ARG 146 Cb 0.10 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.39 3kti h ARG 146 CO -0.02 0.82 0.03 -0.44 -1.51 0.00 0.00 179.97 178.85 3kti h ASP 147 N 1.21 0.18 -0.66 -3.80 3.45 -1.18 0.05 116.42 115.67 3kti h ASP 147 Ca 0.32 -0.22 0.02 0.00 0.43 0.00 0.00 57.03 57.58 3kti h ASP 147 Cb -0.08 -0.05 -0.04 0.00 -0.56 0.00 0.00 39.33 38.61 3kti h ASP 147 CO -0.06 0.35 0.42 0.50 -1.57 0.00 0.00 179.24 178.88 3kti h LYS 148 N -0.01 0.81 -0.25 3.56 3.64 -0.72 -1.34 116.57 122.26 3kti h LYS 148 Ca 0.04 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 3kti h LYS 148 Cb 0.24 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3kti h LYS 148 CO -0.00 0.54 -0.22 -0.07 -2.27 0.00 0.00 179.45 177.43 3kti h LEU 149 N 0.84 0.63 -1.01 5.20 3.38 -0.65 -2.99 115.31 120.72 3kti h LEU 149 Ca 0.26 -0.46 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 3kti h LEU 149 Cb -0.03 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3kti h LEU 149 CO -0.09 0.96 -0.02 0.78 0.09 0.00 0.00 178.44 180.17 3kti h ASN 150 N 0.31 0.66 -0.70 -0.43 2.35 -0.82 -1.42 115.58 115.53 3kti h ASN 150 Ca 0.04 -0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 55.57 3kti h ASN 150 Cb 0.77 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.94 3kti h ASN 150 CO 0.06 0.74 0.18 0.11 -1.65 0.00 0.00 177.43 176.87 3kti h LYS 151 N 0.65 1.13 -0.20 0.81 1.57 -1.26 0.09 116.57 119.36 3kti h LYS 151 Ca 0.13 -0.27 -0.05 0.00 -1.87 0.00 0.00 60.65 58.59 3kti h LYS 151 Cb 0.43 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3kti h LYS 151 CO 0.02 0.99 -0.08 0.28 -0.57 0.00 0.00 179.45 180.08 3kti h VAL 152 N 1.07 1.30 -0.85 0.50 2.07 -1.33 -2.18 116.25 116.83 3kti h VAL 152 Ca 0.22 -1.12 0.07 0.00 0.82 0.00 0.00 66.70 66.69 3kti h VAL 152 Cb 0.36 1.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.70 3kti h VAL 152 CO 0.00 0.34 0.53 -0.07 0.02 0.00 0.00 177.57 178.39 3kti h LEU 153 N 0.10 0.82 -0.80 2.57 3.38 -1.06 0.17 115.31 120.49 3kti h LEU 153 Ca 0.05 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.06 3kti h LEU 153 Cb 0.56 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 3kti h LEU 153 CO 0.03 0.51 0.51 0.00 0.09 0.00 0.00 178.44 179.58 3kti h ALA 154 N 1.41 1.03 -0.17 1.53 0.00 -0.83 0.03 119.26 122.26 3kti h ALA 154 Ca 0.38 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 3kti h ALA 154 Cb 0.20 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3kti h ALA 154 CO -0.18 0.36 -0.01 0.93 0.00 0.00 0.00 179.25 180.35 3kti h GLU 155 N 1.02 0.31 -0.79 0.00 5.08 -0.50 -0.22 114.58 119.48 3kti h GLU 155 Ca 0.31 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 3kti h GLU 155 Cb -0.04 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 3kti h GLU 155 CO -0.10 0.53 0.34 0.00 -1.00 0.00 0.00 179.01 178.79 3kti h ARG 156 N 0.05 1.16 0.00 2.33 2.47 -0.37 -3.23 114.38 116.78 3kti h ARG 156 Ca 0.05 -0.19 -0.08 0.00 -1.26 0.00 0.00 59.98 58.49 3kti h ARG 156 Cb 0.40 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.51 3kti h ARG 156 CO 0.01 0.92 -1.36 0.25 0.56 0.00 0.00 179.97 180.35 3kti n THR 157 N -4.32 0.78 -0.66 2.04 -2.24 -0.03 -4.84 114.28 105.01 3kti n THR 157 Ca 0.07 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 3kti n THR 157 Cb 0.16 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 67.95 3kti n THR 157 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kti n GLY 158 N 1.30 0.73 3.80 3.38 0.00 -0.10 -4.50 105.19 109.80 3kti n GLY 158 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.34 4.37 0.67 1.61 -1.52 -1.15 -5.02 119.66 118.27 3kti s GLN 159 Ca 0.00 1.04 -0.16 0.00 -1.95 0.00 0.00 55.36 54.29 3kti s GLN 159 Cb 0.00 -2.83 0.01 0.00 -0.22 0.00 0.00 33.01 29.97 3kti s GLN 159 CO 0.00 0.34 1.17 -1.25 -0.25 0.00 0.00 175.29 175.30 3kti s PRO 160 N -2.05 2.59 0.30 2.91 0.04 -1.26 -4.59 135.00 132.94 3kti s PRO 160 Ca 0.46 1.66 0.03 0.00 0.04 0.00 0.00 61.00 63.19 3kti s PRO 160 Cb -0.17 -1.90 0.60 0.00 0.04 0.00 0.00 34.50 33.07 3kti s PRO 160 CO 0.22 -1.47 1.86 1.25 0.04 0.00 0.00 177.00 178.90 3kti h LEU 161 N 0.15 0.87 -1.93 -3.56 5.85 -1.92 -0.94 115.31 113.83 3kti h LEU 161 Ca -0.48 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 3kti h LEU 161 Cb 1.28 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 3kti h LEU 161 CO 0.53 0.48 -0.03 1.05 -0.34 0.00 0.00 178.44 180.12 3kti h GLU 162 N 0.94 0.00 0.19 1.25 9.09 -1.98 -0.13 114.58 123.94 3kti h GLU 162 Ca 0.47 0.00 -0.26 0.00 0.05 0.00 0.00 59.36 59.62 3kti h GLU 162 Cb 0.49 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.61 3kti h GLU 162 CO -0.23 0.03 -1.12 0.28 0.05 0.00 0.00 179.01 178.01 3kti h VAL 163 N 0.00 1.40 -0.67 -1.06 2.07 -1.53 -2.71 116.25 113.76 3kti h VAL 163 Ca -0.00 -2.61 -0.02 0.00 0.82 0.00 0.00 66.70 64.89 3kti h VAL 163 Cb 0.36 3.13 -0.03 0.00 -1.52 0.00 0.00 31.29 33.23 3kti h VAL 163 CO 0.00 0.76 0.35 0.40 0.02 0.00 0.00 177.57 179.10 3kti h ILE 164 N -0.14 1.22 -0.23 4.57 1.08 -1.10 0.16 117.51 123.07 3kti h ILE 164 Ca -0.20 -0.58 -0.00 0.00 -0.39 0.00 0.00 64.86 63.69 3kti h ILE 164 Cb 1.88 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 35.99 3kti h ILE 164 CO 0.21 0.25 0.13 -0.33 -0.69 0.00 0.00 178.15 177.71 3kti h GLU 165 N 0.92 0.31 -0.40 2.37 5.08 -1.10 -0.75 114.58 121.01 3kti h GLU 165 Ca 0.23 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.42 3kti h GLU 165 Cb 0.08 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3kti h GLU 165 CO -0.03 0.26 -0.32 0.00 -1.00 0.00 0.00 179.01 177.92 3kti h ARG 166 N 0.27 0.89 0.00 2.33 3.08 -1.26 -3.07 114.38 116.62 3kti h ARG 166 Ca 0.08 -0.43 -0.01 0.00 0.07 0.00 0.00 59.98 59.69 3kti h ARG 166 Cb 0.04 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 3kti h ARG 166 CO -0.01 1.08 -0.06 -0.44 -1.07 0.00 0.00 179.97 179.47 3kti h ASP 167 N 0.74 0.00 -0.03 7.04 3.32 -0.50 -3.04 116.42 123.96 3kti h ASP 167 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3kti h ASP 167 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.44 3kti h ASP 167 CO 0.08 0.06 -0.01 0.35 -1.72 0.00 0.00 179.24 178.00 3kti n THR 168 N -3.16 0.00 -0.35 0.35 -2.24 -0.30 -4.48 114.28 104.09 3kti n THR 168 Ca 0.01 -0.48 0.12 0.00 -2.27 0.00 0.00 64.05 61.43 3kti n THR 168 Cb 0.38 1.43 0.31 0.00 -2.10 0.00 0.00 70.33 70.35 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 4.51 0.81 -4.48 3.42 -0.00 -1.43 -2.00 116.42 117.24 3kti h ASP 169 Ca 0.00 0.09 -0.27 0.00 -0.00 0.00 0.00 57.03 56.85 3kti h ASP 169 Cb 0.96 -0.06 -0.15 0.00 -0.00 0.00 0.00 39.33 40.09 3kti h ASP 169 CO 0.00 0.31 -0.68 -0.13 -0.00 0.00 0.00 179.24 178.74 3kti s ARG 170 N -5.88 1.01 -0.37 0.28 0.52 -1.26 -4.69 118.95 108.55 3kti s ARG 170 Ca -0.11 -1.45 -0.41 0.00 -0.52 0.00 0.00 55.73 53.23 3kti s ARG 170 Cb 0.25 -0.28 -0.16 0.00 0.52 0.00 0.00 34.95 35.27 3kti s ARG 170 CO 0.80 -0.07 1.85 -0.25 0.02 0.00 0.00 175.30 177.65 3kti n ASP 171 N -0.17 1.84 -4.04 0.23 10.43 -1.26 -4.69 116.55 118.90 3kti n ASP 171 Ca -0.09 0.93 -0.33 0.00 2.57 0.00 0.00 54.79 57.88 3kti n ASP 171 Cb 0.62 -1.07 -0.13 0.00 1.84 0.00 0.00 41.12 42.38 3kti n ASP 171 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 3kti s ASN 172 N 4.43 4.83 0.02 -2.24 3.04 -0.51 -5.02 114.94 119.50 3kti s ASN 172 Ca 1.05 -2.43 -0.24 0.00 0.04 0.00 0.00 52.86 51.28 3kti s ASN 172 Cb -1.20 -1.71 -0.05 0.00 -1.54 0.00 0.00 41.25 36.75 3kti s ASN 172 CO 0.67 -0.38 0.73 -0.36 -3.04 0.00 0.00 177.10 174.71 3kti s PHE 173 N 0.53 3.70 0.05 0.43 0.08 -1.26 -2.06 117.98 119.46 3kti s PHE 173 Ca 0.13 1.39 0.04 0.00 0.12 0.00 0.00 56.93 58.61 3kti s PHE 173 Cb -0.22 -2.78 -0.02 0.00 -0.57 0.00 0.00 43.02 39.43 3kti s PHE 173 CO -0.05 0.26 -0.13 0.15 -0.10 0.00 0.00 175.22 175.35 3kti s LYS 174 N 0.06 0.81 0.84 0.44 1.02 0.18 -4.99 119.74 118.10 3kti s LYS 174 Ca 0.37 -0.82 -0.12 0.00 0.02 0.00 0.00 55.97 55.42 3kti s LYS 174 Cb -0.20 -0.78 0.12 0.00 -0.52 0.00 0.00 37.83 36.45 3kti s LYS 174 CO 0.21 0.18 1.20 -1.54 -0.92 0.00 0.00 175.35 174.49 3kti s SER 175 N -1.42 4.09 0.28 2.83 1.04 -1.26 -1.33 113.70 117.93 3kti s SER 175 Ca -0.02 0.55 -0.03 0.00 0.48 0.00 0.00 55.95 56.93 3kti s SER 175 Cb -0.09 -0.91 0.38 0.00 0.10 0.00 0.00 66.02 65.50 3kti s SER 175 CO 0.02 -2.14 1.93 0.00 0.98 0.00 0.00 173.24 174.03 3kti h ALA 176 N -1.18 1.38 -0.54 5.32 0.00 -1.76 0.30 119.26 122.77 3kti h ALA 176 Ca -0.45 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.33 3kti h ALA 176 Cb 1.30 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3kti h ALA 176 CO 0.56 0.55 0.05 0.93 0.00 0.00 0.00 179.25 181.33 3kti h GLU 177 N 1.21 0.93 -0.39 0.00 3.07 -1.91 -1.68 114.58 115.81 3kti h GLU 177 Ca 0.36 -0.27 -0.14 0.00 -0.50 0.00 0.00 59.36 58.81 3kti h GLU 177 Cb -0.05 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.76 3kti h GLU 177 CO -0.10 0.92 -0.31 0.93 -1.40 0.00 0.00 179.01 179.05 3kti h GLU 178 N 0.81 0.86 -0.43 2.33 5.08 -1.78 -1.79 114.58 119.67 3kti h GLU 178 Ca 0.16 -0.41 -0.04 0.00 -1.00 0.00 0.00 59.36 58.07 3kti h GLU 178 Cb 0.47 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 3kti h GLU 178 CO 0.02 1.05 0.09 0.00 -1.00 0.00 0.00 179.01 179.17 3kti h ALA 179 N 0.92 1.35 -0.15 3.43 0.00 -0.79 0.31 119.26 124.32 3kti h ALA 179 Ca 0.08 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3kti h ALA 179 Cb 0.87 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3kti h ALA 179 CO 0.08 0.46 -0.10 1.25 0.00 0.00 0.00 179.25 180.93 3kti h LEU 180 N 0.63 0.35 -0.97 0.00 5.85 -1.13 0.13 115.31 120.16 3kti h LEU 180 Ca 0.14 -0.44 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 3kti h LEU 180 Cb 0.26 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 3kti h LEU 180 CO -0.00 0.72 0.57 -0.08 -0.34 0.00 0.00 178.44 179.30 3kti h GLU 181 N -0.02 1.28 0.00 1.25 4.57 -0.91 -2.52 114.58 118.23 3kti h GLU 181 Ca 0.03 -0.12 -0.04 0.00 -1.18 0.00 0.00 59.36 58.05 3kti h GLU 181 Cb 0.60 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 3kti h GLU 181 CO 0.03 0.89 -0.21 -0.92 -1.18 0.00 0.00 179.01 177.63 3kti h TYR 182 N 1.30 0.00 0.00 0.92 3.20 -0.29 -3.47 116.97 118.63 3kti h TYR 182 Ca 0.34 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.21 3kti h TYR 182 Cb -0.06 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.21 3kti h TYR 182 CO 0.01 0.21 0.00 0.41 -1.64 0.00 0.00 178.16 177.14 3kti n GLY 183 N 0.16 1.01 0.07 1.82 0.00 -0.75 -4.74 105.19 102.76 3kti n GLY 183 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.12 -8.91 0.99 3.38 -1.24 -3.33 115.31 106.32 3kti h LEU 184 Ca 0.00 -0.12 -0.41 0.00 0.09 0.00 0.00 57.88 57.44 3kti h LEU 184 Cb 0.00 -0.04 -0.14 0.00 0.09 0.00 0.00 40.66 40.57 3kti h LEU 184 CO 0.00 1.09 -0.68 0.27 0.09 0.00 0.00 178.44 179.20 3kti s ILE 185 N -2.72 1.31 -0.18 1.22 -4.36 -1.16 -4.06 121.20 111.26 3kti s ILE 185 Ca -0.00 -2.09 0.17 0.00 -0.26 0.00 0.00 60.65 58.47 3kti s ILE 185 Cb 0.09 -2.24 -0.23 0.00 1.25 0.00 0.00 42.46 41.33 3kti s ILE 185 CO 0.84 -0.44 0.08 0.47 0.24 0.00 0.00 174.94 176.13 3kti n ASP 186 N -0.41 0.38 -3.58 4.36 8.00 0.60 -4.49 116.55 121.40 3kti n ASP 186 Ca -0.07 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.27 3kti n ASP 186 Cb 0.63 1.00 -0.07 0.00 -0.02 0.00 0.00 41.12 42.66 3kti n ASP 186 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3kti s LYS 187 N -2.49 0.97 -0.17 -1.24 2.20 -0.88 -5.01 119.74 113.12 3kti s LYS 187 Ca -0.09 0.13 -0.07 0.00 -0.36 0.00 0.00 55.97 55.58 3kti s LYS 187 Cb 0.06 0.45 -0.04 0.00 -1.51 0.00 0.00 37.83 36.79 3kti s LYS 187 CO 0.77 -0.30 0.06 0.42 -0.36 0.00 0.00 175.35 175.94 3kti s ILE 188 N -1.29 4.78 0.45 5.43 1.01 -1.26 -2.18 121.20 128.14 3kti s ILE 188 Ca -0.11 -0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.38 3kti s ILE 188 Cb -0.01 -3.14 -0.06 0.00 0.01 0.00 0.00 42.46 39.25 3kti s ILE 188 CO 0.08 0.48 0.84 -0.76 0.00 0.00 0.00 174.94 175.58 3kti s LEU 189 N 0.21 3.73 0.28 2.97 1.43 -0.50 -4.94 118.68 121.86 3kti s LEU 189 Ca 0.04 1.23 0.00 0.00 -1.03 0.00 0.00 54.13 54.37 3kti s LEU 189 Cb -0.12 -4.14 0.00 0.00 0.03 0.00 0.00 46.19 41.96 3kti s LEU 189 CO 0.00 -0.49 0.00 0.35 0.23 0.00 0.00 176.35 176.45 3kti n THR 190 N -1.54 0.13 -1.58 5.49 -2.24 -1.26 -3.40 114.28 109.87 3kti n THR 190 Ca 0.03 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 3kti n THR 190 Cb 0.54 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 3kti n THR 190 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50