#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kti n ILE 19 N 0.00 1.69 0.14 5.18 0.00 -1.26 -3.84 119.36 121.27 3kti n ILE 19 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 62.75 62.02 3kti n ILE 19 Cb 0.00 -1.35 0.29 0.00 0.00 0.00 0.00 39.64 38.58 3kti n ILE 19 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 3kti h TYR 20 N 0.03 0.11 -0.47 9.51 0.05 -2.00 -2.42 116.97 121.78 3kti h TYR 20 Ca -0.36 -0.03 -0.08 0.00 0.05 0.00 0.00 58.73 58.31 3kti h TYR 20 Cb 2.03 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 39.72 3kti h TYR 20 CO 0.04 0.49 -0.04 0.77 -1.05 0.00 0.00 178.16 178.37 3kti h SER 21 N 0.08 0.78 -0.30 3.88 0.02 -1.97 -0.32 113.55 115.72 3kti h SER 21 Ca 0.01 -0.21 -0.06 0.00 -0.84 0.00 0.00 61.79 60.69 3kti h SER 21 Cb 0.76 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 3kti h SER 21 CO 0.06 0.87 -0.02 -0.09 -1.14 0.00 0.00 176.83 176.51 3kti h ARG 22 N 0.74 0.66 0.01 3.45 9.65 -1.55 -2.53 114.38 124.81 3kti h ARG 22 Ca 0.14 -0.17 -0.19 0.00 -1.10 0.00 0.00 59.98 58.66 3kti h ARG 22 Cb 0.50 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.99 3kti h ARG 22 CO 0.03 0.69 -0.87 -0.07 2.80 0.00 0.00 179.97 182.54 3kti h LEU 23 N 0.62 0.18 -0.96 3.80 4.07 -1.12 -3.17 115.31 118.73 3kti h LEU 23 Ca 0.12 -0.15 -0.02 0.00 0.08 0.00 0.00 57.88 57.91 3kti h LEU 23 Cb 0.41 -0.06 -0.04 0.00 1.08 0.00 0.00 40.66 42.06 3kti h LEU 23 CO 0.02 0.97 0.45 0.25 -1.08 0.00 0.00 178.44 179.04 3kti h LEU 24 N 0.08 1.06 -1.74 1.67 5.85 -0.67 -0.51 115.31 121.05 3kti h LEU 24 Ca -0.04 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.65 3kti h LEU 24 Cb 1.51 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 3kti h LEU 24 CO 0.13 0.86 0.29 0.11 -0.34 0.00 0.00 178.44 179.49 3kti h LYS 25 N 1.18 0.31 -0.38 1.25 1.57 -1.44 0.71 116.57 119.77 3kti h LYS 25 Ca 0.30 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3kti h LYS 25 Cb 0.05 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3kti h LYS 25 CO -0.05 0.20 0.00 -0.25 -0.57 0.00 0.00 179.45 178.79 3kti n ASP 26 N -4.47 1.40 -2.98 0.86 9.92 -0.30 -4.88 116.55 116.09 3kti n ASP 26 Ca 0.06 -2.07 -0.19 0.00 -0.53 0.00 0.00 54.79 52.06 3kti n ASP 26 Cb 0.27 -0.24 0.06 0.00 -0.64 0.00 0.00 41.12 40.57 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 0.11 -6.37 -4.61 -1.24 1.74 0.25 -4.89 116.66 101.66 3kti n ARG 27 Ca 0.07 0.67 -0.33 0.00 -0.77 0.00 0.00 57.85 57.49 3kti n ARG 27 Cb 0.26 -5.24 -0.15 0.00 -1.02 0.00 0.00 32.46 26.31 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 -3.25 2.92 -0.10 0.55 1.01 -0.59 -1.42 121.20 120.32 3kti s ILE 28 Ca 0.47 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 60.43 3kti s ILE 28 Cb -0.21 -2.24 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 3kti s ILE 28 CO 0.58 0.51 -0.10 -0.63 0.00 0.00 0.00 174.94 175.30 3kti s ILE 29 N 0.63 3.37 -0.33 2.92 1.01 0.13 -3.35 121.20 125.57 3kti s ILE 29 Ca -0.07 -0.58 -0.11 0.00 0.00 0.00 0.00 60.65 59.89 3kti s ILE 29 Cb -0.16 -2.39 -0.00 0.00 0.01 0.00 0.00 42.46 39.92 3kti s ILE 29 CO 0.03 0.56 0.18 -0.04 0.00 0.00 0.00 174.94 175.67 3kti s MET 30 N -0.23 3.25 -0.76 2.79 -1.94 -1.26 -0.74 119.30 120.42 3kti s MET 30 Ca 0.02 -0.79 -0.03 0.00 -1.71 0.00 0.00 55.69 53.18 3kti s MET 30 Cb -0.13 -3.65 0.19 0.00 2.01 0.00 0.00 34.83 33.25 3kti s MET 30 CO 0.03 -0.49 0.61 -1.17 -0.01 0.00 0.00 175.02 173.99 3kti s LEU 31 N 1.62 5.48 -0.27 -0.03 0.20 -0.28 -4.91 118.68 120.50 3kti s LEU 31 Ca 0.04 -3.22 0.09 0.00 0.69 0.00 0.00 54.13 51.73 3kti s LEU 31 Cb -0.18 -1.90 0.46 0.00 -0.43 0.00 0.00 46.19 44.15 3kti s LEU 31 CO 0.07 -0.30 1.34 0.61 -0.29 0.00 0.00 176.35 177.78 3kti n GLY 32 N 3.01 5.22 3.08 7.98 0.00 -1.26 -1.47 105.19 121.75 3kti n GLY 32 Ca 0.14 -1.46 -0.11 0.00 0.00 0.00 0.00 46.02 44.59 3kti n GLY 32 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kti n SER 33 N -1.07 -1.45 -4.75 1.61 3.41 -1.17 -4.80 113.62 105.39 3kti n SER 33 Ca 0.29 -2.60 -0.41 0.00 -0.26 0.00 0.00 58.87 55.89 3kti n SER 33 Cb 0.87 2.59 -0.02 0.00 -0.26 0.00 0.00 64.21 67.40 3kti n SER 33 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kti s ALA 34 N -2.43 3.66 -0.40 7.33 0.00 -1.26 -4.49 121.76 124.17 3kti s ALA 34 Ca 0.22 1.43 -0.29 0.00 0.00 0.00 0.00 51.96 53.32 3kti s ALA 34 Cb -0.02 -3.59 0.02 0.00 0.00 0.00 0.00 23.12 19.53 3kti s ALA 34 CO 0.16 -0.84 1.12 0.42 0.00 0.00 0.00 175.76 176.62 3kti s ILE 35 N -0.12 4.34 0.38 0.00 1.01 0.42 -4.87 121.20 122.36 3kti s ILE 35 Ca 0.60 1.46 0.03 0.00 0.00 0.00 0.00 60.65 62.74 3kti s ILE 35 Cb -0.44 -4.50 -0.01 0.00 0.01 0.00 0.00 42.46 37.52 3kti s ILE 35 CO 0.46 -0.74 0.12 -0.90 0.00 0.00 0.00 174.94 173.88 3kti n ASP 36 N 7.41 1.47 -0.14 3.58 3.85 -1.26 -1.04 116.55 130.41 3kti n ASP 36 Ca 0.12 -2.97 -0.06 0.00 -0.71 0.00 0.00 54.79 51.18 3kti n ASP 36 Cb 0.48 0.85 0.03 0.00 -1.35 0.00 0.00 41.12 41.13 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 1.42 0.36 -0.26 -1.12 3.45 -1.94 0.81 116.42 119.13 3kti h ASP 37 Ca -0.30 0.02 0.03 0.00 0.43 0.00 0.00 57.03 57.21 3kti h ASP 37 Cb 1.10 -0.05 -0.03 0.00 -0.56 0.00 0.00 39.33 39.79 3kti h ASP 37 CO 0.48 0.26 0.06 0.78 -1.57 0.00 0.00 179.24 179.24 3kti h ASN 38 N 0.48 0.03 -0.54 6.45 2.35 -1.98 0.15 115.58 122.52 3kti h ASN 38 Ca 0.19 0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.94 3kti h ASN 38 Cb 0.07 0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 3kti h ASN 38 CO -0.12 0.05 0.19 0.58 -1.65 0.00 0.00 177.43 176.48 3kti h VAL 39 N 0.16 1.23 0.12 2.81 2.07 -1.83 -1.55 116.25 119.25 3kti h VAL 39 Ca 0.12 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 3kti h VAL 39 Cb 0.11 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3kti h VAL 39 CO -0.15 0.27 -0.06 0.00 0.02 0.00 0.00 177.57 177.66 3kti h ALA 40 N 1.05 -0.16 -0.49 1.67 0.00 -0.44 -0.58 119.26 120.31 3kti h ALA 40 Ca 0.18 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3kti h ALA 40 Cb 0.23 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3kti h ALA 40 CO -0.01 -0.55 0.33 -0.91 0.00 0.00 0.00 179.25 178.10 3kti h ASN 41 N -0.22 0.55 -0.11 0.00 2.35 -0.60 0.20 115.58 117.74 3kti h ASN 41 Ca -0.02 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 3kti h ASN 41 Cb 0.18 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 3kti h ASN 41 CO 0.03 0.40 0.01 -1.28 -1.65 0.00 0.00 177.43 174.93 3kti h SER 42 N 0.65 0.19 -0.48 5.81 0.87 -0.99 -1.23 113.55 118.37 3kti h SER 42 Ca 0.18 -0.29 -0.03 0.00 -1.23 0.00 0.00 61.79 60.42 3kti h SER 42 Cb -0.05 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 3kti h SER 42 CO -0.04 0.43 0.17 0.40 -0.53 0.00 0.00 176.83 177.26 3kti h ILE 43 N -0.06 1.22 -0.91 2.23 1.08 -0.47 -1.96 117.51 118.64 3kti h ILE 43 Ca 0.03 -0.70 0.03 0.00 -0.39 0.00 0.00 64.86 63.84 3kti h ILE 43 Cb 0.33 0.78 -0.05 0.00 -3.07 0.00 0.00 36.82 34.81 3kti h ILE 43 CO 0.00 0.26 0.59 0.58 -0.69 0.00 0.00 178.15 178.90 3kti h VAL 44 N 0.64 1.15 0.17 1.67 2.07 -0.58 -1.61 116.25 119.77 3kti h VAL 44 Ca 0.16 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 3kti h VAL 44 Cb 0.23 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.90 3kti h VAL 44 CO -0.01 0.21 -0.08 0.28 0.02 0.00 0.00 177.57 177.99 3kti h SER 45 N 1.15 -0.20 -0.94 0.57 0.02 -0.81 -2.03 113.55 111.31 3kti h SER 45 Ca 0.36 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.36 3kti h SER 45 Cb -0.00 0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.53 3kti h SER 45 CO -0.12 -0.14 0.61 1.56 -1.14 0.00 0.00 176.83 177.61 3kti h GLN 46 N -0.24 1.11 -0.35 3.45 4.20 -1.06 -0.17 115.11 122.05 3kti h GLN 46 Ca -0.02 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 3kti h GLN 46 Cb 0.19 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 3kti h GLN 46 CO 0.04 0.73 0.13 -0.07 -0.67 0.00 0.00 178.83 178.99 3kti h LEU 47 N 1.14 0.49 -0.91 1.46 3.38 -1.07 -0.19 115.31 119.60 3kti h LEU 47 Ca 0.38 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 58.08 3kti h LEU 47 Cb 0.07 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3kti h LEU 47 CO -0.13 0.53 -0.17 -0.07 0.09 0.00 0.00 178.44 178.70 3kti h LEU 48 N 0.41 0.60 0.23 1.67 3.38 -0.90 -1.31 115.31 119.39 3kti h LEU 48 Ca 0.11 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3kti h LEU 48 Cb 0.21 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3kti h LEU 48 CO -0.01 0.78 -0.11 0.15 0.09 0.00 0.00 178.44 179.35 3kti h PHE 49 N 0.55 -0.28 -0.56 1.13 3.57 -0.75 -1.88 116.94 118.72 3kti h PHE 49 Ca 0.09 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 3kti h PHE 49 Cb 0.60 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 3kti h PHE 49 CO 0.02 0.01 0.27 -0.07 -2.23 0.00 0.00 178.31 176.31 3kti h LEU 50 N -0.58 0.71 -0.98 0.59 3.38 -1.00 -0.76 115.31 116.68 3kti h LEU 50 Ca -0.03 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3kti h LEU 50 Cb 0.42 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 3kti h LEU 50 CO 0.05 0.61 0.40 0.00 0.09 0.00 0.00 178.44 179.59 3kti h ALA 51 N 1.50 1.21 0.23 1.53 0.00 -1.14 -2.18 119.26 120.41 3kti h ALA 51 Ca 0.20 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3kti h ALA 51 Cb 0.09 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3kti h ALA 51 CO -0.03 0.62 -0.11 0.00 0.00 0.00 0.00 179.25 179.73 3kti h ALA 52 N 1.31 -0.30 -0.86 0.00 0.00 -0.54 -1.95 119.26 116.92 3kti h ALA 52 Ca 0.28 -0.17 0.16 0.00 0.00 0.00 0.00 54.91 55.18 3kti h ALA 52 Cb 0.08 0.12 -0.16 0.00 0.00 0.00 0.00 17.79 17.83 3kti h ALA 52 CO -0.04 -0.52 -0.26 0.93 0.00 0.00 0.00 179.25 179.37 3kti h GLU 53 N -0.61 -0.02 -0.80 0.00 4.39 -0.86 -3.39 114.58 113.29 3kti h GLU 53 Ca -0.03 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.78 3kti h GLU 53 Cb 0.44 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 28.89 3kti h GLU 53 CO 0.05 -0.01 -0.20 0.34 -1.16 0.00 0.00 179.01 178.02 3kti s ASP 54 N -5.26 -1.19 0.00 1.42 2.15 -0.85 -5.03 116.67 107.91 3kti s ASP 54 Ca -0.15 0.47 0.15 0.00 0.43 0.00 0.00 52.55 53.46 3kti s ASP 54 Cb 0.23 1.89 0.85 0.00 -0.30 0.00 0.00 42.92 45.59 3kti s ASP 54 CO 0.75 -0.22 1.36 -0.81 -0.17 0.00 0.00 175.17 176.08 3kti n PRO 55 N 5.40 0.38 -0.12 4.34 -0.04 -0.74 -3.34 135.00 140.89 3kti n PRO 55 Ca 0.01 0.05 -0.20 0.00 -0.04 0.00 0.00 63.50 63.33 3kti n PRO 55 Cb 0.53 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.11 0.54 -1.90 0.54 -0.58 -1.26 -2.47 120.64 114.41 3kti n GLU 56 Ca 0.10 0.17 -0.42 0.00 -0.42 0.00 0.00 57.16 56.58 3kti n GLU 56 Cb 0.08 -1.42 -0.03 0.00 -0.57 0.00 0.00 31.44 29.50 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 -2.45 4.20 1.02 3.49 2.20 -1.21 -4.69 119.74 122.30 3kti s LYS 57 Ca -0.32 2.40 -0.11 0.00 -0.36 0.00 0.00 55.97 57.58 3kti s LYS 57 Cb 0.10 -3.26 0.20 0.00 -1.51 0.00 0.00 37.83 33.37 3kti s LYS 57 CO 0.48 -0.66 1.09 -0.85 -0.36 0.00 0.00 175.35 175.06 3kti n GLU 58 N 4.38 -1.26 -4.57 4.03 0.28 -1.26 -4.66 120.64 117.58 3kti n GLU 58 Ca 0.15 -0.31 -0.24 0.00 -0.16 0.00 0.00 57.16 56.60 3kti n GLU 58 Cb 0.38 -2.29 -0.14 0.00 1.43 0.00 0.00 31.44 30.82 3kti n GLU 58 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3kti s ILE 59 N -2.55 1.46 -0.15 3.84 1.01 -0.35 -4.94 121.20 119.51 3kti s ILE 59 Ca 0.68 -1.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.23 3kti s ILE 59 Cb -0.24 -1.28 -0.01 0.00 0.01 0.00 0.00 42.46 40.94 3kti s ILE 59 CO 0.61 0.16 -0.12 -0.44 0.00 0.00 0.00 174.94 175.15 3kti s SER 60 N -1.08 4.02 -0.31 3.58 0.01 -0.51 -0.33 113.70 119.08 3kti s SER 60 Ca 0.06 -0.36 -0.03 0.00 1.31 0.00 0.00 55.95 56.92 3kti s SER 60 Cb -0.08 -1.63 0.05 0.00 0.21 0.00 0.00 66.02 64.56 3kti s SER 60 CO 0.01 0.12 0.03 -0.22 0.41 0.00 0.00 173.24 173.59 3kti s LEU 61 N 0.65 4.03 -0.05 2.44 2.96 -0.06 0.17 118.68 128.81 3kti s LEU 61 Ca -0.06 -1.24 -0.22 0.00 -0.22 0.00 0.00 54.13 52.39 3kti s LEU 61 Cb -0.15 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 3kti s LEU 61 CO 0.03 -0.28 0.63 -0.31 -1.32 0.00 0.00 176.35 175.09 3kti s TYR 62 N 1.30 3.61 -0.12 5.38 1.51 0.08 -1.68 117.35 127.42 3kti s TYR 62 Ca -0.04 1.17 0.02 0.00 -1.01 0.00 0.00 57.07 57.21 3kti s TYR 62 Cb -0.20 -2.69 0.01 0.00 -0.11 0.00 0.00 41.96 38.97 3kti s TYR 62 CO 0.00 0.20 -0.17 0.42 -1.11 0.00 0.00 175.55 174.89 3kti s ILE 63 N 0.41 1.66 -0.39 2.71 1.01 0.85 -1.12 121.20 126.33 3kti s ILE 63 Ca 0.33 -0.74 0.03 0.00 0.00 0.00 0.00 60.65 60.28 3kti s ILE 63 Cb -0.17 -1.50 0.16 0.00 0.01 0.00 0.00 42.46 40.95 3kti s ILE 63 CO 0.17 0.47 0.38 0.21 0.00 0.00 0.00 174.94 176.17 3kti s ASN 64 N 0.97 1.21 -0.05 3.58 2.47 -0.54 -0.81 114.94 121.77 3kti s ASN 64 Ca -0.06 -1.96 -0.15 0.00 0.42 0.00 0.00 52.86 51.11 3kti s ASN 64 Cb -0.15 0.37 0.03 0.00 -1.45 0.00 0.00 41.25 40.05 3kti s ASN 64 CO -0.02 -0.23 0.34 -0.55 -3.72 0.00 0.00 177.10 172.92 3kti s SER 65 N 1.06 -0.26 0.00 -4.21 0.15 0.26 -3.04 113.70 107.66 3kti s SER 65 Ca 0.21 0.28 0.28 0.00 0.70 0.00 0.00 55.95 57.42 3kti s SER 65 Cb -0.12 0.43 1.10 0.00 -1.71 0.00 0.00 66.02 65.73 3kti s SER 65 CO -0.05 -0.38 1.78 -0.81 1.20 0.00 0.00 173.24 174.98 3kti n PRO 66 N 1.66 0.97 0.00 5.44 -0.04 -1.26 -1.37 135.00 140.39 3kti n PRO 66 Ca -0.19 -0.45 0.00 0.00 -0.04 0.00 0.00 63.50 62.82 3kti n PRO 66 Cb 0.56 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 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 1.25 -1.21 0.00 0.55 0.00 -1.17 -4.29 105.19 100.32 3kti n GLY 67 Ca 0.15 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.40 3.68 -0.02 0.00 -1.26 -0.44 105.19 106.75 3kti n GLY 68 Ca 0.00 -0.59 -0.45 0.00 0.00 0.00 0.00 46.02 44.98 3kti n GLY 68 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3kti n SER 69 N 0.00 3.13 -0.09 1.61 2.88 -0.21 -4.79 113.62 116.15 3kti n SER 69 Ca 0.00 1.10 -0.11 0.00 -1.33 0.00 0.00 58.87 58.53 3kti n SER 69 Cb 0.00 -1.45 -0.04 0.00 -0.75 0.00 0.00 64.21 61.97 3kti n SER 69 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3kti h ILE 70 N 3.47 1.25 -0.65 2.46 1.08 -1.96 -1.21 117.51 121.95 3kti h ILE 70 Ca -0.45 -0.90 -0.07 0.00 -0.39 0.00 0.00 64.86 63.04 3kti h ILE 70 Cb 1.25 1.34 -0.03 0.00 -3.07 0.00 0.00 36.82 36.31 3kti h ILE 70 CO 0.85 0.29 0.12 0.71 -0.69 0.00 0.00 178.15 179.43 3kti h THR 71 N 0.24 1.26 -0.87 -0.27 1.35 -1.99 -0.35 112.91 112.28 3kti h THR 71 Ca 0.07 -1.00 -0.02 0.00 -0.55 0.00 0.00 66.41 64.92 3kti h THR 71 Cb 0.41 0.65 -0.04 0.00 -1.73 0.00 0.00 68.15 67.45 3kti h THR 71 CO 0.01 0.37 0.47 0.00 -0.25 0.00 0.00 175.52 176.13 3kti h ALA 72 N 1.05 1.19 -0.42 6.62 0.00 -1.88 -1.98 119.26 123.84 3kti h ALA 72 Ca 0.20 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3kti h ALA 72 Cb 0.41 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3kti h ALA 72 CO 0.01 0.65 -0.06 0.78 0.00 0.00 0.00 179.25 180.62 3kti h GLY 73 N 1.22 0.86 1.81 0.00 0.00 -0.75 -2.94 103.07 103.27 3kti h GLY 73 Ca 0.30 -0.68 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 3kti h GLY 73 CO -0.05 0.62 -0.17 -0.33 0.00 0.00 0.00 176.54 176.62 3kti h MET 74 N 0.62 0.24 -0.76 4.80 2.86 -0.82 0.12 114.93 121.99 3kti h MET 74 Ca 0.11 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 3kti h MET 74 Cb 0.58 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.17 3kti h MET 74 CO 0.03 0.41 0.38 0.00 1.06 0.00 0.00 176.91 178.80 3kti h ALA 75 N 1.61 0.97 -0.02 6.32 0.00 -1.21 0.51 119.26 127.44 3kti h ALA 75 Ca 0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kti h ALA 75 Cb 0.43 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3kti h ALA 75 CO 0.03 0.52 0.00 0.82 0.00 0.00 0.00 179.25 180.62 3kti h ILE 76 N 1.06 1.24 -0.28 0.00 2.04 -1.20 -2.22 117.51 118.15 3kti h ILE 76 Ca 0.26 -0.72 0.06 0.00 1.00 0.00 0.00 64.86 65.46 3kti h ILE 76 Cb 0.09 1.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.80 3kti h ILE 76 CO -0.04 0.19 -0.06 0.22 0.00 0.00 0.00 178.15 178.46 3kti h TYR 77 N -0.26 -0.13 -0.21 1.37 3.20 -0.59 -0.94 116.97 119.42 3kti h TYR 77 Ca 0.01 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 3kti h TYR 77 Cb 0.31 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 3kti h TYR 77 CO 0.03 -0.11 -0.07 -0.44 -1.64 0.00 0.00 178.16 175.93 3kti h ASP 78 N 0.01 0.31 0.22 -2.11 3.45 0.02 -2.20 116.42 116.12 3kti h ASP 78 Ca 0.13 -0.06 -0.17 0.00 0.43 0.00 0.00 57.03 57.37 3kti h ASP 78 Cb 0.20 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 38.89 3kti h ASP 78 CO -0.28 0.42 -0.65 0.74 -1.57 0.00 0.00 179.24 177.90 3kti h THR 79 N 0.31 1.36 -0.53 0.35 2.02 -0.81 -1.54 112.91 114.07 3kti h THR 79 Ca 0.07 -2.00 -0.07 0.00 0.77 0.00 0.00 66.41 65.17 3kti h THR 79 Cb 0.33 1.99 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 3kti h THR 79 CO 0.02 0.61 0.03 0.24 0.37 0.00 0.00 175.52 176.79 3kti h MET 80 N 0.29 0.87 -0.12 6.66 2.86 -0.68 -2.73 114.93 122.08 3kti h MET 80 Ca -0.01 -0.23 -0.23 0.00 -2.06 0.00 0.00 59.70 57.17 3kti h MET 80 Cb 1.20 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 32.76 3kti h MET 80 CO 0.11 0.84 -0.82 1.96 1.06 0.00 0.00 176.91 180.07 3kti h GLN 81 N 0.81 0.74 0.11 1.72 1.08 -1.28 -3.36 115.11 114.94 3kti h GLN 81 Ca 0.16 -0.63 -0.01 0.00 -1.45 0.00 0.00 58.65 56.72 3kti h GLN 81 Cb 0.44 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 3kti h GLN 81 CO 0.02 1.24 -0.05 0.35 -0.95 0.00 0.00 178.83 179.43 3kti h PHE 82 N 0.49 -0.14 -4.12 2.96 3.57 -1.14 -3.45 116.94 115.12 3kti h PHE 82 Ca -0.06 -0.00 -0.54 0.00 3.53 0.00 0.00 57.97 60.89 3kti h PHE 82 Cb 1.45 0.05 0.14 0.00 2.79 0.00 0.00 35.95 40.37 3kti h PHE 82 CO 0.08 0.07 0.47 0.96 -2.23 0.00 0.00 178.31 177.67 3kti s ILE 83 N -5.42 2.35 0.07 1.41 -4.36 -1.04 -4.97 121.20 109.23 3kti s ILE 83 Ca -0.14 0.21 -0.17 0.00 -0.26 0.00 0.00 60.65 60.28 3kti s ILE 83 Cb 0.04 -3.02 -0.13 0.00 1.25 0.00 0.00 42.46 40.60 3kti s ILE 83 CO 0.64 -0.06 1.34 0.11 0.24 0.00 0.00 174.94 177.21 3kti h LYS 84 N 0.52 0.56 -6.47 0.37 6.56 -1.88 -3.45 116.57 112.79 3kti h LYS 84 Ca -0.50 -0.35 -0.58 0.00 -1.06 0.00 0.00 60.65 58.17 3kti h LYS 84 Cb 1.31 0.04 0.05 0.00 -0.57 0.00 0.00 32.23 33.06 3kti h LYS 84 CO 0.53 0.96 0.92 -2.30 -2.06 0.00 0.00 179.45 177.50 3kti n PRO 85 N -4.32 2.30 -2.25 3.15 -0.02 -1.03 -4.91 135.00 127.93 3kti n PRO 85 Ca -0.06 0.84 -0.41 0.00 -2.02 0.00 0.00 63.50 61.84 3kti n PRO 85 Cb 0.49 -2.64 -0.03 0.00 -0.02 0.00 0.00 33.50 31.30 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 1.82 4.40 -0.27 -0.52 3.01 -1.26 -4.77 119.74 122.15 3kti s LYS 86 Ca 0.82 2.02 -0.08 0.00 -1.01 0.00 0.00 55.97 57.71 3kti s LYS 86 Cb -0.64 -3.21 -0.02 0.00 -1.01 0.00 0.00 37.83 32.95 3kti s LYS 86 CO 0.40 -0.24 0.10 0.08 0.51 0.00 0.00 175.35 176.20 3kti s VAL 87 N 0.18 4.41 0.21 3.17 1.01 -1.26 -1.21 120.40 126.90 3kti s VAL 87 Ca 0.57 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 62.25 3kti s VAL 87 Cb -0.36 -3.12 -0.06 0.00 0.00 0.00 0.00 36.38 32.84 3kti s VAL 87 CO 0.37 0.26 0.47 -0.94 0.00 0.00 0.00 175.10 175.26 3kti s SER 88 N 1.62 6.52 0.09 3.32 1.04 0.55 -0.26 113.70 126.58 3kti s SER 88 Ca 0.06 0.72 0.10 0.00 0.48 0.00 0.00 55.95 57.31 3kti s SER 88 Cb -0.16 -2.14 -0.03 0.00 0.10 0.00 0.00 66.02 63.79 3kti s SER 88 CO 0.05 -0.05 -0.26 0.42 0.98 0.00 0.00 173.24 174.38 3kti s THR 89 N -1.81 2.12 -0.09 2.02 -4.23 -0.44 -0.88 115.64 112.32 3kti s THR 89 Ca 0.44 -1.56 -0.02 0.00 -1.18 0.00 0.00 61.69 59.37 3kti s THR 89 Cb -0.11 -1.85 0.04 0.00 1.34 0.00 0.00 72.50 71.91 3kti s THR 89 CO 0.25 0.19 0.04 -0.63 -0.54 0.00 0.00 174.62 173.92 3kti s ILE 90 N -0.95 0.17 -0.23 2.99 1.01 -0.67 0.92 121.20 124.44 3kti s ILE 90 Ca 0.12 0.09 -0.24 0.00 0.00 0.00 0.00 60.65 60.62 3kti s ILE 90 Cb -0.10 -0.48 -0.01 0.00 0.01 0.00 0.00 42.46 41.88 3kti s ILE 90 CO 0.04 0.09 0.79 0.00 0.00 0.00 0.00 174.94 175.86 3kti s ILE 92 N 2.60 1.60 0.00 0.00 -4.36 0.01 -2.15 121.20 118.89 3kti s ILE 92 Ca 0.34 -0.67 0.00 0.00 -0.26 0.00 0.00 60.65 60.06 3kti s ILE 92 Cb -0.16 -1.48 0.00 0.00 1.25 0.00 0.00 42.46 42.08 3kti s ILE 92 CO 0.09 0.46 0.00 0.61 0.24 0.00 0.00 174.94 176.34 3kti n GLY 93 N 4.57 2.40 3.24 6.27 0.00 -1.26 -4.10 105.19 116.31 3kti n GLY 93 Ca -0.18 0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 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 0.48 -0.37 1.61 -2.45 -1.26 -0.62 119.30 116.69 3kti s MET 94 Ca 0.00 0.33 0.00 0.00 -1.25 0.00 0.00 55.69 54.77 3kti s MET 94 Cb 0.00 0.23 0.13 0.00 1.25 0.00 0.00 34.83 36.44 3kti s MET 94 CO 0.00 -0.08 0.20 0.00 1.05 0.00 0.00 175.02 176.19 3kti s ALA 95 N -0.18 1.28 0.15 4.11 0.00 -0.63 -0.58 121.76 125.92 3kti s ALA 95 Ca -0.03 -1.97 0.06 0.00 0.00 0.00 0.00 51.96 50.02 3kti s ALA 95 Cb -0.03 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 3kti s ALA 95 CO 0.01 -2.02 0.02 0.00 0.00 0.00 0.00 175.76 173.78 3kti s ALA 96 N 1.02 3.28 0.00 0.00 0.00 -0.47 -1.82 121.76 123.76 3kti s ALA 96 Ca 0.16 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.85 3kti s ALA 96 Cb -0.22 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 21.80 3kti s ALA 96 CO -0.05 0.54 0.00 0.45 0.00 0.00 0.00 175.76 176.70 3kti n SER 97 N 0.03 0.00 0.27 0.00 2.88 -0.33 -0.57 113.62 115.90 3kti n SER 97 Ca -0.10 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.57 3kti n SER 97 Cb 0.54 0.00 0.75 0.00 -0.75 0.00 0.00 64.21 64.76 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 -0.54 -1.46 2.86 -1.87 -0.49 114.93 113.44 3kti h MET 98 Ca 0.00 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 3kti h MET 98 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 3kti h MET 98 CO 0.00 0.10 0.02 0.78 1.06 0.00 0.00 176.91 178.86 3kti h GLY 99 N 0.67 0.97 1.65 8.32 0.00 -1.12 -0.38 103.07 113.19 3kti h GLY 99 Ca -0.00 -0.66 -0.17 0.00 0.00 0.00 0.00 47.33 46.50 3kti h GLY 99 CO 0.01 0.61 -0.67 0.00 0.00 0.00 0.00 176.54 176.50 3kti h ALA 100 N 1.17 0.69 -0.09 3.60 0.00 -1.10 -1.80 119.26 121.73 3kti h ALA 100 Ca 0.16 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3kti h ALA 100 Cb 0.48 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3kti h ALA 100 CO 0.02 0.75 0.06 0.35 0.00 0.00 0.00 179.25 180.43 3kti h PHE 101 N 0.25 0.12 -0.44 0.00 3.57 -0.47 -1.68 116.94 118.29 3kti h PHE 101 Ca -0.02 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.43 3kti h PHE 101 Cb 1.22 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 3kti h PHE 101 CO 0.04 0.08 0.07 -0.07 -2.23 0.00 0.00 178.31 176.20 3kti h LEU 102 N 0.12 0.64 -0.43 0.59 3.38 -1.00 -1.81 115.31 116.79 3kti h LEU 102 Ca 0.03 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3kti h LEU 102 Cb -0.01 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3kti h LEU 102 CO -0.01 0.66 0.27 0.25 0.09 0.00 0.00 178.44 179.70 3kti h LEU 103 N 0.66 0.52 -1.40 1.67 5.85 -0.90 -2.01 115.31 119.70 3kti h LEU 103 Ca 0.14 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 3kti h LEU 103 Cb 0.31 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.20 3kti h LEU 103 CO 0.00 0.41 -0.12 0.00 -0.34 0.00 0.00 178.44 178.39 3kti h ALA 104 N 1.13 1.05 -0.00 1.25 0.00 -0.97 -2.60 119.26 119.11 3kti h ALA 104 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kti h ALA 104 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3kti h ALA 104 CO -0.03 0.15 -0.01 0.00 0.00 0.00 0.00 179.25 179.36 3kti n ALA 105 N -2.18 2.65 -1.24 0.00 0.00 -0.71 -4.87 120.51 114.16 3kti n ALA 105 Ca -0.00 -0.23 -0.33 0.00 0.00 0.00 0.00 53.44 52.88 3kti n ALA 105 Cb 0.35 -1.44 0.10 0.00 0.00 0.00 0.00 19.45 18.45 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 -2.15 2.06 -0.24 0.00 0.00 -0.98 -4.85 107.32 101.16 3kti s GLY 106 Ca 0.41 0.65 -0.40 0.00 0.00 0.00 0.00 44.72 45.38 3kti s GLY 106 CO 0.39 1.04 1.70 -2.21 0.00 0.00 0.00 173.10 174.02 3kti n GLU 107 N -3.09 1.14 -1.60 2.90 4.07 0.65 -4.77 120.64 119.94 3kti n GLU 107 Ca 0.12 0.42 -0.55 0.00 -0.06 0.00 0.00 57.16 57.09 3kti n GLU 107 Cb 0.51 -2.10 -0.07 0.00 -0.06 0.00 0.00 31.44 29.73 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 5.07 0.92 0.00 5.31 4.76 -1.26 0.12 118.16 133.08 3kti n LYS 108 Ca 0.26 0.33 0.00 0.00 -2.87 0.00 0.00 58.31 56.03 3kti n LYS 108 Cb 0.13 -1.95 0.00 0.00 -1.84 0.00 0.00 35.03 31.37 3kti n LYS 108 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kti n GLY 109 N 2.67 1.42 0.84 0.72 0.00 -1.26 -4.87 105.19 104.71 3kti n GLY 109 Ca 0.20 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.27 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 1.31 -3.76 1.61 5.02 0.32 -4.90 118.16 115.76 3kti n LYS 110 Ca 0.00 -3.06 -0.36 0.00 -2.02 0.00 0.00 58.31 52.87 3kti n LYS 110 Cb 0.00 -1.30 -0.12 0.00 -0.02 0.00 0.00 35.03 33.59 3kti n LYS 110 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3kti s ARG 111 N -2.57 3.67 0.45 1.97 0.52 -1.24 -1.33 118.95 120.42 3kti s ARG 111 Ca 0.37 -0.47 0.03 0.00 -0.52 0.00 0.00 55.73 55.15 3kti s ARG 111 Cb 0.37 -3.33 -0.04 0.00 0.52 0.00 0.00 34.95 32.47 3kti s ARG 111 CO -0.09 -0.18 0.03 0.71 0.02 0.00 0.00 175.30 175.79 3kti s TYR 112 N 1.60 2.05 -0.28 -0.53 1.51 0.26 -0.47 117.35 121.50 3kti s TYR 112 Ca 0.06 -0.92 -0.23 0.00 -1.01 0.00 0.00 57.07 54.97 3kti s TYR 112 Cb -0.15 -1.57 0.09 0.00 -0.11 0.00 0.00 41.96 40.22 3kti s TYR 112 CO 0.04 0.21 0.84 0.00 -1.11 0.00 0.00 175.55 175.53 3kti s ALA 113 N -2.91 -1.90 0.73 3.71 0.00 -0.98 -1.28 121.76 119.13 3kti s ALA 113 Ca 0.19 2.04 -0.11 0.00 0.00 0.00 0.00 51.96 54.08 3kti s ALA 113 Cb 0.05 -1.34 0.03 0.00 0.00 0.00 0.00 23.12 21.86 3kti s ALA 113 CO 0.10 -0.31 1.08 -0.51 0.00 0.00 0.00 175.76 176.12 3kti s LEU 114 N 0.56 3.12 0.27 0.00 1.43 -0.91 -1.02 118.68 122.14 3kti s LEU 114 Ca -0.01 1.79 -0.01 0.00 -1.03 0.00 0.00 54.13 54.87 3kti s LEU 114 Cb -0.05 -4.52 0.61 0.00 0.03 0.00 0.00 46.19 42.26 3kti s LEU 114 CO -0.05 -1.80 1.63 -0.65 0.23 0.00 0.00 176.35 175.71 3kti h PRO 115 N -0.80 0.14 -0.45 1.29 0.11 -1.93 -2.42 132.00 127.94 3kti h PRO 115 Ca -0.44 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 3kti h PRO 115 Cb 1.23 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 3kti h PRO 115 CO 0.53 0.09 0.05 0.09 -0.21 0.00 0.00 178.00 178.56 3kti n ASN 116 N -5.31 4.38 -4.84 -2.05 4.13 -1.26 -4.53 115.26 105.77 3kti n ASN 116 Ca 0.19 -3.12 -0.32 0.00 1.68 0.00 0.00 54.58 53.01 3kti n ASN 116 Cb 0.61 -0.63 -0.00 0.00 -1.54 0.00 0.00 39.78 38.22 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 -1.55 6.20 0.06 6.41 1.04 -0.91 -4.80 113.70 120.15 3kti s SER 117 Ca 0.48 1.55 0.09 0.00 0.48 0.00 0.00 55.95 58.56 3kti s SER 117 Cb 0.39 -2.50 -0.03 0.00 0.10 0.00 0.00 66.02 63.98 3kti s SER 117 CO 0.11 -0.88 -0.25 -0.70 0.98 0.00 0.00 173.24 172.50 3kti s GLU 118 N -4.61 1.78 -0.07 4.02 2.12 0.21 -3.22 118.70 118.93 3kti s GLU 118 Ca 0.58 -1.13 0.01 0.00 0.36 0.00 0.00 54.97 54.79 3kti s GLU 118 Cb -0.12 -2.01 0.02 0.00 0.26 0.00 0.00 34.13 32.28 3kti s GLU 118 CO 0.44 0.51 -0.09 0.08 -0.54 0.00 0.00 175.26 175.65 3kti s VAL 119 N -0.88 0.98 -0.05 3.70 1.01 -0.51 -1.61 120.40 123.04 3kti s VAL 119 Ca 0.13 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.79 3kti s VAL 119 Cb -0.10 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.34 3kti s VAL 119 CO 0.04 0.33 -0.15 -0.32 0.00 0.00 0.00 175.10 174.99 3kti s MET 120 N 0.96 1.71 0.04 2.72 1.75 -0.76 -0.17 119.30 125.55 3kti s MET 120 Ca -0.09 -0.54 0.06 0.00 -1.25 0.00 0.00 55.69 53.86 3kti s MET 120 Cb -0.15 -1.47 -0.02 0.00 2.84 0.00 0.00 34.83 36.03 3kti s MET 120 CO 0.00 0.19 -0.17 0.96 -0.65 0.00 0.00 175.02 175.35 3kti s ILE 121 N 0.18 1.36 0.00 10.11 -4.36 -0.92 -1.19 121.20 126.38 3kti s ILE 121 Ca -0.06 -1.09 0.00 0.00 -0.26 0.00 0.00 60.65 59.24 3kti s ILE 121 Cb -0.12 -1.21 0.00 0.00 1.25 0.00 0.00 42.46 42.38 3kti s ILE 121 CO 0.02 0.09 0.00 0.00 0.24 0.00 0.00 174.94 175.30 3kti n HIS 122 N 1.87 0.00 -4.12 1.37 1.44 -1.26 -1.56 115.22 112.95 3kti n HIS 122 Ca -0.18 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.31 3kti n HIS 122 Cb 0.54 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.60 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 1.15 2.67 0.49 -1.40 -2.07 -0.95 -4.87 119.66 114.67 3kti s GLN 123 Ca 0.00 -1.24 -0.22 0.00 -1.82 0.00 0.00 55.36 52.09 3kti s GLN 123 Cb 0.00 -2.40 -0.09 0.00 -1.09 0.00 0.00 33.01 29.43 3kti s GLN 123 CO 0.00 0.32 0.83 -2.30 -1.32 0.00 0.00 175.29 172.82 3kti n PRO 124 N -1.12 0.97 -4.81 9.60 -0.02 -1.26 -5.01 135.00 133.34 3kti n PRO 124 Ca -0.06 0.36 -0.33 0.00 -2.02 0.00 0.00 63.50 61.44 3kti n PRO 124 Cb 0.59 -1.92 -0.13 0.00 -0.02 0.00 0.00 33.50 32.02 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 -0.24 2.84 0.00 2.45 1.43 -1.26 -5.08 118.68 118.83 3kti s LEU 125 Ca 0.67 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.60 3kti s LEU 125 Cb -0.51 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.11 3kti s LEU 125 CO 0.54 0.33 0.00 0.61 0.23 0.00 0.00 176.35 178.06 3kti n GLY 126 N 2.43 2.94 3.25 -3.19 0.00 -1.26 -5.04 105.19 104.33 3kti n GLY 126 Ca -0.17 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.46 -0.09 -0.19 -0.02 0.00 -1.26 -5.16 107.32 100.13 3kti s GLY 127 Ca 0.00 -0.21 -0.08 0.00 0.00 0.00 0.00 44.72 44.42 3kti s GLY 127 CO 0.00 -0.43 0.43 0.00 0.00 0.00 0.00 173.10 173.10 3kti s ALA 128 N -3.33 -1.17 0.05 3.20 0.00 -1.26 -4.91 121.76 114.35 3kti s ALA 128 Ca 0.00 1.58 0.01 0.00 0.00 0.00 0.00 51.96 53.55 3kti s ALA 128 Cb 0.02 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.93 3kti s ALA 128 CO -0.08 -0.54 -0.05 -1.14 0.00 0.00 0.00 175.76 173.95 3kti s GLN 129 N 2.08 0.56 0.00 0.00 2.00 -1.26 -4.97 119.66 118.07 3kti s GLN 129 Ca -0.05 -0.98 0.00 0.00 -2.00 0.00 0.00 55.36 52.32 3kti s GLN 129 Cb -0.10 -0.01 0.00 0.00 0.80 0.00 0.00 33.01 33.69 3kti s GLN 129 CO -0.13 -0.04 0.00 0.41 -0.50 0.00 0.00 175.29 175.03 3kti n GLY 130 N 0.76 -0.27 3.76 2.59 0.00 -1.26 -4.52 105.19 106.25 3kti n GLY 130 Ca -0.18 -2.01 -0.34 0.00 0.00 0.00 0.00 46.02 43.49 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 0.00 2.80 0.27 1.61 -0.21 -1.26 -4.76 119.66 118.10 3kti s GLN 131 Ca 0.00 1.51 -0.05 0.00 0.02 0.00 0.00 55.36 56.84 3kti s GLN 131 Cb 0.00 -1.94 0.52 0.00 1.00 0.00 0.00 33.01 32.59 3kti s GLN 131 CO 0.00 -1.27 1.60 0.00 -2.12 0.00 0.00 175.29 173.50 3kti h ALA 132 N 0.22 0.86 -0.13 6.09 0.00 -1.99 0.38 119.26 124.68 3kti h ALA 132 Ca -0.48 0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3kti h ALA 132 Cb 1.26 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 3kti h ALA 132 CO 0.54 -0.46 0.04 1.15 0.00 0.00 0.00 179.25 180.52 3kti h THR 133 N 0.05 1.06 0.08 0.00 2.02 -1.99 -0.56 112.91 113.57 3kti h THR 133 Ca 0.47 -0.20 -0.26 0.00 0.77 0.00 0.00 66.41 67.20 3kti h THR 133 Cb 0.86 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 3kti h THR 133 CO -0.81 0.07 -1.12 -0.33 0.37 0.00 0.00 175.52 173.70 3kti h GLU 134 N 0.18 0.33 -0.19 6.66 5.08 -0.64 -2.67 114.58 123.32 3kti h GLU 134 Ca 0.05 -0.46 -0.09 0.00 -1.00 0.00 0.00 59.36 57.86 3kti h GLU 134 Cb 0.05 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3kti h GLU 134 CO -0.00 1.18 -0.26 0.82 -1.00 0.00 0.00 179.01 179.74 3kti h ILE 135 N 0.14 1.26 -0.53 3.13 2.04 -0.67 -2.39 117.51 120.49 3kti h ILE 135 Ca -0.11 -1.21 -0.07 0.00 1.00 0.00 0.00 64.86 64.47 3kti h ILE 135 Cb 1.81 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 39.27 3kti h ILE 135 CO 0.19 0.37 0.06 -0.08 0.00 0.00 0.00 178.15 178.69 3kti h GLU 136 N 0.32 0.89 0.22 2.37 4.81 -1.04 -0.71 114.58 121.43 3kti h GLU 136 Ca 0.05 -0.26 0.01 0.00 -0.13 0.00 0.00 59.36 59.03 3kti h GLU 136 Cb 0.63 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 3kti h GLU 136 CO 0.04 0.89 -0.25 0.82 -0.73 0.00 0.00 179.01 179.79 3kti h ILE 137 N 0.77 0.47 -0.30 2.32 1.08 -1.11 -0.68 117.51 120.06 3kti h ILE 137 Ca 0.16 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.65 3kti h ILE 137 Cb 0.45 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 34.64 3kti h ILE 137 CO 0.02 0.00 0.13 0.00 -0.69 0.00 0.00 178.15 177.61 3kti h ALA 138 N 0.17 0.36 -0.20 1.87 0.00 -1.36 -1.62 119.26 118.48 3kti h ALA 138 Ca 0.00 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3kti h ALA 138 Cb 0.48 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3kti h ALA 138 CO -0.07 -0.26 0.03 0.00 0.00 0.00 0.00 179.25 178.95 3kti h ALA 139 N 1.17 0.20 -0.75 0.00 0.00 -0.94 -1.11 119.26 117.83 3kti h ALA 139 Ca 0.13 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3kti h ALA 139 Cb 0.06 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3kti h ALA 139 CO -0.10 -0.40 0.48 0.87 0.00 0.00 0.00 179.25 180.09 3kti h LYS 140 N 0.11 0.92 0.27 0.00 1.57 -0.94 -1.66 116.57 116.84 3kti h LYS 140 Ca 0.09 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3kti h LYS 140 Cb 0.10 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.20 3kti h LYS 140 CO -0.13 0.61 -0.13 -0.09 -0.57 0.00 0.00 179.45 179.13 3kti h ARG 141 N 0.95 -0.35 -0.30 3.15 2.43 -0.73 -1.94 114.38 117.58 3kti h ARG 141 Ca 0.29 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.46 3kti h ARG 141 Cb -0.02 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3kti h ARG 141 CO -0.10 -0.18 0.09 0.97 -1.51 0.00 0.00 179.97 179.24 3kti h ILE 142 N -0.45 1.14 -0.24 1.20 2.10 -1.08 -1.05 117.51 119.12 3kti h ILE 142 Ca -0.04 -0.46 -0.14 0.00 1.08 0.00 0.00 64.86 65.30 3kti h ILE 142 Cb 0.34 0.82 -0.01 0.00 -1.09 0.00 0.00 36.82 36.88 3kti h ILE 142 CO 0.06 0.17 -0.43 -0.07 -1.08 0.00 0.00 178.15 176.80 3kti h LEU 143 N 0.42 0.64 -0.55 2.19 3.38 -1.21 -0.84 115.31 119.35 3kti h LEU 143 Ca 0.10 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 3kti h LEU 143 Cb 0.14 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3kti h LEU 143 CO -0.01 0.99 -0.05 -0.07 0.09 0.00 0.00 178.44 179.40 3kti h LEU 144 N 0.49 0.99 -0.20 1.67 3.38 -0.56 -2.16 115.31 118.92 3kti h LEU 144 Ca 0.04 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 3kti h LEU 144 Cb 0.95 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3kti h LEU 144 CO 0.09 1.08 0.12 -0.07 0.09 0.00 0.00 178.44 179.74 3kti h LEU 145 N 0.87 0.25 -1.16 1.67 3.38 -0.99 -0.46 115.31 118.87 3kti h LEU 145 Ca 0.15 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.12 3kti h LEU 145 Cb 0.60 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 3kti h LEU 145 CO 0.04 0.23 0.58 -0.09 0.09 0.00 0.00 178.44 179.29 3kti h ARG 146 N 0.24 0.99 -0.16 1.13 2.43 -1.00 0.72 114.38 118.72 3kti h ARG 146 Ca 0.07 -0.06 -0.18 0.00 -0.81 0.00 0.00 59.98 59.00 3kti h ARG 146 Cb 0.03 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.36 3kti h ARG 146 CO -0.01 0.65 -0.64 0.22 -1.51 0.00 0.00 179.97 178.68 3kti h ASP 147 N 1.02 0.66 -0.40 -3.80 3.58 -1.04 -0.93 116.42 115.50 3kti h ASP 147 Ca 0.38 -0.39 -0.05 0.00 0.42 0.00 0.00 57.03 57.39 3kti h ASP 147 Cb 0.18 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 3kti h ASP 147 CO -0.14 1.13 0.04 0.50 -2.88 0.00 0.00 179.24 177.89 3kti h LYS 148 N 0.42 0.68 -0.27 0.28 3.64 -0.02 -1.47 116.57 119.83 3kti h LYS 148 Ca -0.01 -0.19 -0.12 0.00 -1.27 0.00 0.00 60.65 59.05 3kti h LYS 148 Cb 1.21 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.95 3kti h LYS 148 CO 0.12 0.74 -0.30 -0.07 -2.27 0.00 0.00 179.45 177.67 3kti h LEU 149 N 0.52 0.73 -1.24 5.20 3.38 -0.90 -2.95 115.31 120.05 3kti h LEU 149 Ca 0.12 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 3kti h LEU 149 Cb 0.41 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3kti h LEU 149 CO 0.01 1.07 0.26 0.78 0.09 0.00 0.00 178.44 180.65 3kti h ASN 150 N 0.41 0.71 -0.68 -0.43 2.35 -1.09 -0.59 115.58 116.26 3kti h ASN 150 Ca 0.04 -0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.64 3kti h ASN 150 Cb 0.87 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 39.03 3kti h ASN 150 CO 0.07 0.61 0.12 0.50 -1.65 0.00 0.00 177.43 177.09 3kti h LYS 151 N 0.78 1.12 -0.18 0.81 3.64 -1.22 -0.86 116.57 120.66 3kti h LYS 151 Ca 0.19 -0.29 -0.20 0.00 -1.27 0.00 0.00 60.65 59.08 3kti h LYS 151 Cb 0.10 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3kti h LYS 151 CO -0.02 1.01 -0.70 0.28 -2.27 0.00 0.00 179.45 177.75 3kti h VAL 152 N 1.04 1.29 -0.76 2.00 2.07 -1.28 -2.65 116.25 117.96 3kti h VAL 152 Ca 0.21 -1.92 -0.00 0.00 0.82 0.00 0.00 66.70 65.80 3kti h VAL 152 Cb 0.43 1.90 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 3kti h VAL 152 CO 0.01 0.61 0.46 0.25 0.02 0.00 0.00 177.57 178.92 3kti h LEU 153 N 0.53 0.91 -0.59 2.57 5.85 -0.90 -0.01 115.31 123.66 3kti h LEU 153 Ca -0.03 -0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.53 3kti h LEU 153 Cb 1.31 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 3kti h LEU 153 CO 0.14 0.70 -0.13 0.00 -0.34 0.00 0.00 178.44 178.81 3kti h ALA 154 N 1.46 0.79 -0.37 1.25 0.00 -1.07 -1.71 119.26 119.62 3kti h ALA 154 Ca 0.28 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3kti h ALA 154 Cb -0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3kti h ALA 154 CO -0.05 0.66 -0.10 0.93 0.00 0.00 0.00 179.25 180.69 3kti h GLU 155 N 0.87 0.73 -0.23 0.00 5.08 -1.01 -0.11 114.58 119.90 3kti h GLU 155 Ca 0.13 -0.28 -0.12 0.00 -1.00 0.00 0.00 59.36 58.09 3kti h GLU 155 Cb 0.69 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3kti h GLU 155 CO 0.05 0.88 -0.38 0.00 -1.00 0.00 0.00 179.01 178.56 3kti h ARG 156 N 0.52 0.51 0.00 2.33 2.47 -0.96 -3.30 114.38 115.96 3kti h ARG 156 Ca 0.09 -0.25 -0.09 0.00 -1.26 0.00 0.00 59.98 58.47 3kti h ARG 156 Cb 0.62 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.92 3kti h ARG 156 CO 0.04 0.82 -1.51 0.25 0.56 0.00 0.00 179.97 180.13 3kti n THR 157 N -4.04 0.74 -0.15 2.04 -2.24 -0.65 -4.85 114.28 105.14 3kti n THR 157 Ca -0.01 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 3kti n THR 157 Cb 0.50 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 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 1.32 1.28 3.76 3.38 0.00 -0.06 -4.50 105.19 110.37 3kti n GLY 158 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.50 4.46 0.60 1.61 -1.52 -1.17 -5.00 119.66 118.14 3kti s GLN 159 Ca 0.00 1.79 -0.18 0.00 -1.95 0.00 0.00 55.36 55.03 3kti s GLN 159 Cb 0.00 -3.01 -0.03 0.00 -0.22 0.00 0.00 33.01 29.75 3kti s GLN 159 CO 0.00 0.05 1.14 -1.25 -0.25 0.00 0.00 175.29 174.99 3kti s PRO 160 N -1.75 3.02 0.27 2.91 0.04 -1.26 -4.54 135.00 133.69 3kti s PRO 160 Ca 0.49 1.60 0.00 0.00 0.04 0.00 0.00 61.00 63.12 3kti s PRO 160 Cb -0.31 -1.96 0.54 0.00 0.04 0.00 0.00 34.50 32.81 3kti s PRO 160 CO 0.40 -1.11 1.80 1.25 0.04 0.00 0.00 177.00 179.37 3kti h LEU 161 N 0.67 0.75 -1.46 -3.56 5.85 -1.91 -0.60 115.31 115.05 3kti h LEU 161 Ca -0.49 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.38 3kti h LEU 161 Cb 1.27 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.18 3kti h LEU 161 CO 0.55 0.37 0.46 -0.08 -0.34 0.00 0.00 178.44 179.40 3kti h GLU 162 N 0.82 0.61 0.00 1.25 4.57 -1.99 -0.40 114.58 119.44 3kti h GLU 162 Ca 0.48 -0.04 -0.27 0.00 -1.18 0.00 0.00 59.36 58.35 3kti h GLU 162 Cb 0.56 -0.14 0.02 0.00 -0.16 0.00 0.00 28.75 29.03 3kti h GLU 162 CO -0.30 0.40 -1.04 0.28 -1.18 0.00 0.00 179.01 177.17 3kti h VAL 163 N 0.63 1.28 -0.15 0.32 2.07 -1.48 -2.53 116.25 116.40 3kti h VAL 163 Ca 0.31 -2.26 -0.01 0.00 0.82 0.00 0.00 66.70 65.57 3kti h VAL 163 Cb 0.41 2.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 3kti h VAL 163 CO -0.11 0.70 0.05 0.40 0.02 0.00 0.00 177.57 178.63 3kti h ILE 164 N 0.39 1.18 -0.50 4.57 1.08 -0.98 0.33 117.51 123.58 3kti h ILE 164 Ca -0.13 -0.55 0.06 0.00 -0.39 0.00 0.00 64.86 63.86 3kti h ILE 164 Cb 1.70 1.27 -0.05 0.00 -3.07 0.00 0.00 36.82 36.66 3kti h ILE 164 CO 0.20 0.17 0.19 -0.33 -0.69 0.00 0.00 178.15 177.69 3kti h GLU 165 N 0.06 0.37 0.05 2.37 5.08 -1.16 -0.81 114.58 120.54 3kti h GLU 165 Ca 0.05 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3kti h GLU 165 Cb 0.22 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3kti h GLU 165 CO -0.00 0.25 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.14 3kti h ARG 166 N 0.38 -0.07 0.00 2.33 2.43 -1.20 -3.14 114.38 115.12 3kti h ARG 166 Ca 0.24 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 3kti h ARG 166 Cb 0.23 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3kti h ARG 166 CO -0.23 0.13 0.00 -0.25 -1.51 0.00 0.00 179.97 178.12 3kti n ASP 167 N -5.03 0.45 -0.80 -3.80 8.00 0.11 -2.75 116.55 112.73 3kti n ASP 167 Ca -0.08 0.62 0.09 0.00 0.71 0.00 0.00 54.79 56.13 3kti n ASP 167 Cb 0.14 -0.71 0.12 0.00 -0.02 0.00 0.00 41.12 40.65 3kti n ASP 167 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3kti n THR 168 N -2.00 0.28 -0.30 -3.53 -2.24 -0.34 -4.55 114.28 101.59 3kti n THR 168 Ca 0.02 -0.64 0.07 0.00 -2.27 0.00 0.00 64.05 61.23 3kti n THR 168 Cb 0.19 1.13 0.22 0.00 -2.10 0.00 0.00 70.33 69.77 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 3.42 0.58 -4.09 3.42 1.82 -1.47 -2.53 116.42 117.55 3kti h ASP 169 Ca 0.00 0.08 -0.36 0.00 -0.39 0.00 0.00 57.03 56.37 3kti h ASP 169 Cb 0.78 -0.01 -0.14 0.00 0.68 0.00 0.00 39.33 40.63 3kti h ASP 169 CO 0.00 0.26 -0.65 -0.13 -1.61 0.00 0.00 179.24 177.11 3kti s ARG 170 N -5.98 1.30 -0.22 0.28 0.52 -1.26 -4.68 118.95 108.92 3kti s ARG 170 Ca -0.12 -1.66 -0.40 0.00 -0.52 0.00 0.00 55.73 53.02 3kti s ARG 170 Cb 0.21 -0.49 -0.17 0.00 0.52 0.00 0.00 34.95 35.03 3kti s ARG 170 CO 0.78 -0.14 1.60 -0.25 0.02 0.00 0.00 175.30 177.32 3kti n ASP 171 N -0.39 1.93 -3.95 0.23 8.00 -1.26 -4.65 116.55 116.45 3kti n ASP 171 Ca -0.05 1.11 -0.30 0.00 0.71 0.00 0.00 54.79 56.26 3kti n ASP 171 Cb 0.64 -1.10 -0.15 0.00 -0.02 0.00 0.00 41.12 40.49 3kti n ASP 171 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3kti s ASN 172 N 2.63 4.47 -0.01 -2.24 3.04 -0.60 -5.01 114.94 117.21 3kti s ASN 172 Ca 0.96 -2.43 -0.23 0.00 0.04 0.00 0.00 52.86 51.20 3kti s ASN 172 Cb -1.12 -1.52 -0.05 0.00 -1.54 0.00 0.00 41.25 37.02 3kti s ASN 172 CO 0.64 -0.33 0.70 -0.36 -3.04 0.00 0.00 177.10 174.71 3kti s PHE 173 N 0.53 3.66 0.06 0.43 0.08 -1.26 -2.16 117.98 119.31 3kti s PHE 173 Ca 0.13 1.32 0.05 0.00 0.12 0.00 0.00 56.93 58.55 3kti s PHE 173 Cb -0.22 -2.77 -0.03 0.00 -0.57 0.00 0.00 43.02 39.44 3kti s PHE 173 CO -0.06 0.21 -0.15 0.15 -0.10 0.00 0.00 175.22 175.27 3kti s LYS 174 N 0.27 0.90 0.75 0.44 1.02 0.75 -5.00 119.74 118.88 3kti s LYS 174 Ca 0.36 -0.87 -0.09 0.00 0.02 0.00 0.00 55.97 55.40 3kti s LYS 174 Cb -0.19 -0.93 0.08 0.00 -0.52 0.00 0.00 37.83 36.27 3kti s LYS 174 CO 0.20 0.22 1.08 -1.54 -0.92 0.00 0.00 175.35 174.38 3kti s SER 175 N -1.44 4.62 0.21 2.83 1.04 -1.26 -1.42 113.70 118.27 3kti s SER 175 Ca 0.00 0.52 -0.09 0.00 0.48 0.00 0.00 55.95 56.86 3kti s SER 175 Cb -0.09 -1.08 0.24 0.00 0.10 0.00 0.00 66.02 65.19 3kti s SER 175 CO 0.02 -1.76 1.81 0.00 0.98 0.00 0.00 173.24 174.29 3kti h ALA 176 N -0.79 0.89 -0.56 5.32 0.00 -1.78 0.29 119.26 122.63 3kti h ALA 176 Ca -0.45 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.50 3kti h ALA 176 Cb 1.31 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 3kti h ALA 176 CO 0.60 0.05 0.36 0.93 0.00 0.00 0.00 179.25 181.19 3kti h GLU 177 N 0.69 0.70 -0.24 0.00 3.07 -1.92 -0.74 114.58 116.15 3kti h GLU 177 Ca 0.30 -0.04 -0.12 0.00 -0.50 0.00 0.00 59.36 58.99 3kti h GLU 177 Cb 0.19 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 3kti h GLU 177 CO -0.18 0.46 -0.37 0.93 -1.40 0.00 0.00 179.01 178.45 3kti h GLU 178 N 0.72 0.53 -0.75 2.33 5.08 -1.69 -1.38 114.58 119.42 3kti h GLU 178 Ca 0.21 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3kti h GLU 178 Cb -0.04 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 3kti h GLU 178 CO -0.07 0.82 0.34 0.00 -1.00 0.00 0.00 179.01 179.10 3kti h ALA 179 N 1.16 0.97 0.44 3.43 0.00 -0.01 -0.47 119.26 124.78 3kti h ALA 179 Ca 0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3kti h ALA 179 Cb 0.85 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3kti h ALA 179 CO 0.07 0.56 -0.21 1.25 0.00 0.00 0.00 179.25 180.92 3kti h LEU 180 N 1.07 -0.50 -1.81 0.00 5.85 -0.80 -0.92 115.31 118.20 3kti h LEU 180 Ca 0.26 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.95 3kti h LEU 180 Cb 0.15 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3kti h LEU 180 CO -0.03 -0.27 0.16 -0.08 -0.34 0.00 0.00 178.44 177.88 3kti h GLU 181 N -0.71 0.25 0.00 1.25 4.81 -1.11 -1.67 114.58 117.39 3kti h GLU 181 Ca -0.06 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.03 3kti h GLU 181 Cb 0.52 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 3kti h GLU 181 CO 0.10 0.16 -0.60 -0.92 -0.73 0.00 0.00 179.01 177.02 3kti h TYR 182 N 0.25 0.00 0.00 0.92 3.20 -0.83 -3.47 116.97 117.04 3kti h TYR 182 Ca 0.10 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.97 3kti h TYR 182 Cb 0.08 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.35 3kti h TYR 182 CO -0.00 0.60 0.00 0.41 -1.64 0.00 0.00 178.16 177.53 3kti n GLY 183 N 0.42 0.92 0.16 1.82 0.00 -0.60 -4.70 105.19 103.21 3kti n GLY 183 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.03 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 -8.72 0.99 3.38 -1.43 -3.37 115.31 106.15 3kti h LEU 184 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 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 0.50 -0.63 0.27 0.09 0.00 0.00 178.44 178.67 3kti s ILE 185 N -3.62 0.38 -0.05 1.22 -4.36 -1.22 -3.98 121.20 109.57 3kti s ILE 185 Ca -0.01 -1.99 0.12 0.00 -0.26 0.00 0.00 60.65 58.51 3kti s ILE 185 Cb 0.12 -2.45 -0.17 0.00 1.25 0.00 0.00 42.46 41.21 3kti s ILE 185 CO 0.73 -0.13 0.19 0.47 0.24 0.00 0.00 174.94 176.43 3kti n ASP 186 N -0.33 2.18 -3.58 4.36 8.00 0.38 -4.54 116.55 123.02 3kti n ASP 186 Ca -0.01 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.33 3kti n ASP 186 Cb 0.65 1.29 -0.06 0.00 -0.02 0.00 0.00 41.12 42.98 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 -2.65 0.99 -0.23 -1.24 2.20 -0.91 -5.01 119.74 112.89 3kti s LYS 187 Ca -0.05 0.02 -0.07 0.00 -0.36 0.00 0.00 55.97 55.51 3kti s LYS 187 Cb 0.06 0.46 -0.03 0.00 -1.51 0.00 0.00 37.83 36.81 3kti s LYS 187 CO 0.50 -0.32 0.06 0.42 -0.36 0.00 0.00 175.35 175.65 3kti s ILE 188 N -1.63 4.37 -0.64 5.43 1.01 -1.26 -2.33 121.20 126.15 3kti s ILE 188 Ca -0.10 -0.16 -0.27 0.00 0.00 0.00 0.00 60.65 60.12 3kti s ILE 188 Cb -0.01 -3.02 0.02 0.00 0.01 0.00 0.00 42.46 39.46 3kti s ILE 188 CO 0.05 0.37 1.41 -0.76 0.00 0.00 0.00 174.94 176.01 3kti s LEU 189 N 1.28 3.29 0.00 2.97 1.43 -0.19 -4.89 118.68 122.57 3kti s LEU 189 Ca 0.05 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 3kti s LEU 189 Cb -0.15 -2.79 0.00 0.00 0.03 0.00 0.00 46.19 43.28 3kti s LEU 189 CO 0.03 -1.84 0.00 0.41 0.23 0.00 0.00 176.35 175.18 3kti n THR 190 N 6.70 0.00 1.98 5.49 -1.04 -1.26 -3.68 114.28 122.48 3kti n THR 190 Ca 0.09 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.26 3kti n THR 190 Cb 0.50 -0.46 0.93 0.00 -1.82 0.00 0.00 70.33 69.48 3kti n THR 190 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84