#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 1.30 -0.12 5.18 6.09 -2.06 -2.96 117.51 124.94 3kti h ILE 19 Ca 0.00 -2.13 -0.07 0.00 -1.37 0.00 0.00 64.86 61.29 3kti h ILE 19 Cb 0.00 2.17 -0.01 0.00 0.47 0.00 0.00 36.82 39.45 3kti h ILE 19 CO 0.00 0.66 -0.26 1.88 -3.07 0.00 0.00 178.15 177.36 3kti h TYR 20 N 0.44 0.23 -0.08 2.19 0.05 -1.99 -1.19 116.97 116.62 3kti h TYR 20 Ca -0.08 -0.04 -0.13 0.00 0.05 0.00 0.00 58.73 58.53 3kti h TYR 20 Cb 1.52 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 39.19 3kti h TYR 20 CO 0.09 0.46 -0.52 1.03 -1.05 0.00 0.00 178.16 178.17 3kti h SER 21 N 0.19 0.23 -0.43 3.88 0.87 -1.97 -0.39 113.55 115.94 3kti h SER 21 Ca 0.03 -0.12 -0.14 0.00 -1.23 0.00 0.00 61.79 60.34 3kti h SER 21 Cb 0.57 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 3kti h SER 21 CO 0.04 0.71 -0.25 -0.09 -0.53 0.00 0.00 176.83 176.71 3kti h ARG 22 N 0.17 0.95 -0.02 2.24 9.65 -1.17 -2.76 114.38 123.44 3kti h ARG 22 Ca 0.00 -0.42 -0.16 0.00 -1.10 0.00 0.00 59.98 58.30 3kti h ARG 22 Cb 0.97 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.52 3kti h ARG 22 CO 0.08 1.09 -0.73 -0.07 2.80 0.00 0.00 179.97 183.14 3kti h LEU 23 N 0.81 0.18 -1.36 3.80 4.07 -1.00 -3.02 115.31 118.80 3kti h LEU 23 Ca 0.10 -0.12 -0.06 0.00 0.08 0.00 0.00 57.88 57.88 3kti h LEU 23 Cb 0.83 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.51 3kti h LEU 23 CO 0.07 0.84 -0.22 0.25 -1.08 0.00 0.00 178.44 178.30 3kti h LEU 24 N 0.10 0.15 -1.54 1.67 5.85 -0.94 -0.52 115.31 120.07 3kti h LEU 24 Ca -0.02 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 3kti h LEU 24 Cb 1.28 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 3kti h LEU 24 CO 0.11 0.38 -0.24 0.11 -0.34 0.00 0.00 178.44 178.46 3kti h LYS 25 N 0.14 0.00 -0.58 1.25 1.57 -1.35 -0.30 116.57 117.29 3kti h LYS 25 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3kti h LYS 25 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3kti h LYS 25 CO 0.03 0.24 0.00 -0.25 -0.57 0.00 0.00 179.45 178.90 3kti n ASP 26 N -4.18 2.82 -2.77 0.86 9.92 -0.45 -4.89 116.55 117.85 3kti n ASP 26 Ca -0.02 -2.24 -0.20 0.00 -0.53 0.00 0.00 54.79 51.80 3kti n ASP 26 Cb 0.30 -0.43 0.04 0.00 -0.64 0.00 0.00 41.12 40.39 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 0.50 -4.91 -4.13 -1.24 1.74 -0.12 -4.89 116.66 103.61 3kti n ARG 27 Ca 0.14 0.78 -0.34 0.00 -0.77 0.00 0.00 57.85 57.65 3kti n ARG 27 Cb 0.54 -5.42 -0.14 0.00 -1.02 0.00 0.00 32.46 26.43 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 -3.14 3.35 -0.12 0.55 1.01 -0.33 -1.48 121.20 121.03 3kti s ILE 28 Ca 0.32 -0.52 -0.03 0.00 0.00 0.00 0.00 60.65 60.43 3kti s ILE 28 Cb -0.14 -2.49 -0.03 0.00 0.01 0.00 0.00 42.46 39.80 3kti s ILE 28 CO 0.40 0.45 -0.02 -0.63 0.00 0.00 0.00 174.94 175.14 3kti s ILE 29 N 1.13 4.08 -0.26 2.92 1.01 0.65 -3.36 121.20 127.38 3kti s ILE 29 Ca 0.02 -0.31 -0.08 0.00 0.00 0.00 0.00 60.65 60.28 3kti s ILE 29 Cb -0.15 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.55 3kti s ILE 29 CO -0.01 0.54 0.09 -0.04 0.00 0.00 0.00 174.94 175.53 3kti s MET 30 N -0.23 3.62 -0.85 2.79 -1.94 -1.26 -0.77 119.30 120.66 3kti s MET 30 Ca 0.05 -0.51 -0.03 0.00 -1.71 0.00 0.00 55.69 53.50 3kti s MET 30 Cb -0.13 -3.39 0.21 0.00 2.01 0.00 0.00 34.83 33.54 3kti s MET 30 CO 0.02 -0.23 0.73 -1.17 -0.01 0.00 0.00 175.02 174.37 3kti s LEU 31 N 1.63 5.56 -0.40 -0.03 2.96 -0.06 -4.92 118.68 123.42 3kti s LEU 31 Ca 0.06 -3.55 0.05 0.00 -0.22 0.00 0.00 54.13 50.47 3kti s LEU 31 Cb -0.16 -1.92 0.47 0.00 0.50 0.00 0.00 46.19 45.08 3kti s LEU 31 CO 0.05 -0.23 1.50 0.61 -1.32 0.00 0.00 176.35 176.96 3kti n GLY 32 N 2.58 5.96 3.79 7.98 0.00 -1.26 -1.79 105.19 122.45 3kti n GLY 32 Ca 0.19 -2.28 -0.09 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.87 -0.01 0.71 1.61 1.04 -1.22 -4.87 113.70 108.10 3kti s SER 33 Ca 0.54 -1.00 -0.16 0.00 0.48 0.00 0.00 55.95 55.81 3kti s SER 33 Cb 0.44 0.79 0.03 0.00 0.10 0.00 0.00 66.02 67.37 3kti s SER 33 CO 0.02 -1.53 1.25 0.00 0.98 0.00 0.00 173.24 173.96 3kti s ALA 34 N -2.95 2.15 -0.35 5.32 0.00 -1.26 -4.47 121.76 120.19 3kti s ALA 34 Ca 0.16 1.05 -0.15 0.00 0.00 0.00 0.00 51.96 53.01 3kti s ALA 34 Cb -0.05 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 3kti s ALA 34 CO 0.11 -1.88 0.36 0.42 0.00 0.00 0.00 175.76 174.76 3kti s ILE 35 N -1.73 5.17 0.43 0.00 1.01 0.39 -4.89 121.20 121.57 3kti s ILE 35 Ca 0.78 -0.03 0.03 0.00 0.00 0.00 0.00 60.65 61.44 3kti s ILE 35 Cb -0.33 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 3kti s ILE 35 CO 0.44 -0.13 0.11 1.51 0.00 0.00 0.00 174.94 176.88 3kti s ASP 36 N 1.74 3.02 0.26 3.58 1.47 -1.26 -0.40 116.67 125.08 3kti s ASP 36 Ca 0.11 -1.68 -0.01 0.00 1.18 0.00 0.00 52.55 52.15 3kti s ASP 36 Cb -0.17 0.52 0.51 0.00 -0.34 0.00 0.00 42.92 43.44 3kti s ASP 36 CO 0.12 -0.93 1.79 0.44 0.68 0.00 0.00 175.17 177.27 3kti h ASP 37 N 1.71 0.65 -0.03 2.11 3.45 -1.96 -0.23 116.42 122.11 3kti h ASP 37 Ca -0.36 0.07 -0.00 0.00 0.43 0.00 0.00 57.03 57.17 3kti h ASP 37 Cb 1.28 -0.04 -0.00 0.00 -0.56 0.00 0.00 39.33 40.01 3kti h ASP 37 CO 0.59 0.31 0.02 0.78 -1.57 0.00 0.00 179.24 179.37 3kti h ASN 38 N 0.73 0.04 -0.43 6.45 2.35 -1.99 0.11 115.58 122.84 3kti h ASN 38 Ca 0.46 -0.11 0.01 0.00 -0.55 0.00 0.00 56.30 56.12 3kti h ASN 38 Cb 0.57 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.90 3kti h ASN 38 CO -0.32 0.13 0.26 0.58 -1.65 0.00 0.00 177.43 176.44 3kti h VAL 39 N -0.06 1.06 0.12 2.81 2.07 -1.79 -1.75 116.25 118.72 3kti h VAL 39 Ca 0.01 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.36 3kti h VAL 39 Cb 0.10 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3kti h VAL 39 CO -0.00 0.10 -0.16 0.00 0.02 0.00 0.00 177.57 177.52 3kti h ALA 40 N 1.18 -0.29 -0.34 1.67 0.00 -0.80 -0.88 119.26 119.80 3kti h ALA 40 Ca 0.17 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3kti h ALA 40 Cb -0.01 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3kti h ALA 40 CO -0.07 -0.69 0.23 -0.91 0.00 0.00 0.00 179.25 177.81 3kti h ASN 41 N -0.33 0.31 -0.05 0.00 2.35 -0.62 0.98 115.58 118.22 3kti h ASN 41 Ca 0.02 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 3kti h ASN 41 Cb 0.34 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.63 3kti h ASN 41 CO -0.07 0.22 -0.03 -1.28 -1.65 0.00 0.00 177.43 174.61 3kti h SER 42 N 0.36 0.12 -0.63 5.81 0.87 -0.80 -1.81 113.55 117.46 3kti h SER 42 Ca 0.14 -0.44 -0.07 0.00 -1.23 0.00 0.00 61.79 60.18 3kti h SER 42 Cb 0.10 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 3kti h SER 42 CO -0.03 0.54 0.13 0.40 -0.53 0.00 0.00 176.83 177.34 3kti h ILE 43 N -0.30 1.26 -0.65 2.23 2.04 -0.66 -0.69 117.51 120.74 3kti h ILE 43 Ca 0.01 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.90 3kti h ILE 43 Cb 0.49 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 3kti h ILE 43 CO 0.01 0.37 0.42 0.58 0.00 0.00 0.00 178.15 179.52 3kti h VAL 44 N 0.99 1.17 -0.34 1.67 2.07 -0.81 -0.73 116.25 120.27 3kti h VAL 44 Ca 0.20 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3kti h VAL 44 Cb 0.39 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3kti h VAL 44 CO 0.01 0.17 0.16 0.28 0.02 0.00 0.00 177.57 178.20 3kti h SER 45 N 0.88 0.45 -0.82 0.57 0.02 -0.82 -1.38 113.55 112.44 3kti h SER 45 Ca 0.24 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3kti h SER 45 Cb -0.08 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.31 3kti h SER 45 CO -0.05 0.45 0.50 1.56 -1.14 0.00 0.00 176.83 178.16 3kti h GLN 46 N 0.41 1.12 -0.36 3.45 4.20 -0.76 0.16 115.11 123.32 3kti h GLN 46 Ca 0.11 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 3kti h GLN 46 Cb 0.13 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 3kti h GLN 46 CO -0.01 0.78 0.01 -0.07 -0.67 0.00 0.00 178.83 178.86 3kti h LEU 47 N 1.14 0.62 -0.71 1.46 3.38 -0.79 0.77 115.31 121.18 3kti h LEU 47 Ca 0.30 -0.30 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3kti h LEU 47 Cb -0.06 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3kti h LEU 47 CO -0.06 0.77 -0.14 -0.07 0.09 0.00 0.00 178.44 179.03 3kti h LEU 48 N 0.45 0.85 0.71 1.67 3.38 -0.94 -0.64 115.31 120.78 3kti h LEU 48 Ca 0.10 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 3kti h LEU 48 Cb 0.45 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.98 3kti h LEU 48 CO 0.02 0.99 -0.34 0.15 0.09 0.00 0.00 178.44 179.35 3kti h PHE 49 N 0.76 -0.89 -0.90 1.13 3.57 -0.50 -1.67 116.94 118.44 3kti h PHE 49 Ca 0.12 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.67 3kti h PHE 49 Cb 0.66 0.29 -0.06 0.00 2.79 0.00 0.00 35.95 39.63 3kti h PHE 49 CO 0.04 -0.53 0.59 -0.07 -2.23 0.00 0.00 178.31 176.11 3kti h LEU 50 N -1.11 0.89 -1.78 0.59 3.38 -0.83 -0.05 115.31 116.41 3kti h LEU 50 Ca -0.10 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3kti h LEU 50 Cb 0.76 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 3kti h LEU 50 CO 0.16 0.57 -0.14 0.00 0.09 0.00 0.00 178.44 179.12 3kti h ALA 51 N 1.52 1.24 0.10 1.53 0.00 -1.01 -2.27 119.26 120.36 3kti h ALA 51 Ca 0.39 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 3kti h ALA 51 Cb 0.23 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.01 3kti h ALA 51 CO -0.15 0.17 -0.61 0.00 0.00 0.00 0.00 179.25 178.66 3kti h ALA 52 N 1.86 -0.06 -0.73 0.00 0.00 -0.07 -2.89 119.26 117.37 3kti h ALA 52 Ca -0.00 -0.65 0.16 0.00 0.00 0.00 0.00 54.91 54.41 3kti h ALA 52 Cb 0.41 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3kti h ALA 52 CO 0.02 0.28 0.49 0.93 0.00 0.00 0.00 179.25 180.97 3kti h GLU 53 N -0.54 0.31 -0.08 0.00 4.39 -0.91 -3.41 114.58 114.34 3kti h GLU 53 Ca -0.11 -0.02 0.27 0.00 0.34 0.00 0.00 59.36 59.85 3kti h GLU 53 Cb 1.47 -0.07 -0.20 0.00 -0.10 0.00 0.00 28.75 29.86 3kti h GLU 53 CO 0.11 0.21 0.17 0.34 -1.16 0.00 0.00 179.01 178.68 3kti s ASP 54 N -5.97 -0.13 0.00 1.42 3.68 -0.88 -5.02 116.67 109.77 3kti s ASP 54 Ca -0.07 0.04 0.20 0.00 2.13 0.00 0.00 52.55 54.86 3kti s ASP 54 Cb 0.21 1.09 1.21 0.00 -1.45 0.00 0.00 42.92 43.98 3kti s ASP 54 CO 0.76 -0.02 1.60 -0.81 0.13 0.00 0.00 175.17 176.83 3kti n PRO 55 N 5.26 0.63 -0.13 4.34 -0.04 -1.09 -3.41 135.00 140.56 3kti n PRO 55 Ca 0.01 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.24 3kti n PRO 55 Cb 0.57 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.01 0.63 -2.14 0.54 -0.58 -1.26 -2.98 120.64 113.84 3kti n GLU 56 Ca 0.15 0.22 -0.41 0.00 -0.42 0.00 0.00 57.16 56.70 3kti n GLU 56 Cb 0.07 -1.53 -0.02 0.00 -0.57 0.00 0.00 31.44 29.39 3kti n GLU 56 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3kti s LYS 57 N -2.51 4.36 0.82 3.49 -0.14 -1.22 -4.75 119.74 119.79 3kti s LYS 57 Ca -0.36 2.17 -0.11 0.00 -1.36 0.00 0.00 55.97 56.30 3kti s LYS 57 Cb 0.11 -3.12 0.09 0.00 -1.68 0.00 0.00 37.83 33.23 3kti s LYS 57 CO 0.56 -0.23 1.13 -1.21 -0.76 0.00 0.00 175.35 174.85 3kti s GLU 58 N -1.04 1.75 -0.04 1.68 2.02 -1.26 -4.61 118.70 117.20 3kti s GLU 58 Ca 0.53 1.43 0.05 0.00 0.02 0.00 0.00 54.97 57.00 3kti s GLU 58 Cb -0.39 -1.82 -0.01 0.00 0.10 0.00 0.00 34.13 32.02 3kti s GLU 58 CO 0.46 -2.07 -0.18 0.42 0.02 0.00 0.00 175.26 173.91 3kti s ILE 59 N -2.63 1.50 -0.20 -1.63 1.01 -0.60 -4.91 121.20 113.75 3kti s ILE 59 Ca 0.66 -0.77 -0.04 0.00 0.00 0.00 0.00 60.65 60.49 3kti s ILE 59 Cb -0.21 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 3kti s ILE 59 CO 0.54 0.43 -0.02 -0.44 0.00 0.00 0.00 174.94 175.45 3kti s SER 60 N -0.12 4.67 -0.37 3.58 0.01 -0.55 -0.67 113.70 120.25 3kti s SER 60 Ca -0.01 -0.25 -0.09 0.00 1.31 0.00 0.00 55.95 56.91 3kti s SER 60 Cb -0.10 -1.79 0.04 0.00 0.21 0.00 0.00 66.02 64.37 3kti s SER 60 CO 0.01 0.05 0.18 -0.22 0.41 0.00 0.00 173.24 173.68 3kti s LEU 61 N 1.07 4.69 -0.05 2.44 2.96 0.65 -0.26 118.68 130.18 3kti s LEU 61 Ca 0.02 -1.17 -0.23 0.00 -0.22 0.00 0.00 54.13 52.53 3kti s LEU 61 Cb -0.14 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 3kti s LEU 61 CO 0.01 -0.40 0.68 -0.31 -1.32 0.00 0.00 176.35 175.00 3kti s TYR 62 N 1.47 3.60 -0.13 5.38 1.51 0.05 -1.93 117.35 127.30 3kti s TYR 62 Ca 0.01 1.24 0.01 0.00 -1.01 0.00 0.00 57.07 57.32 3kti s TYR 62 Cb -0.20 -2.76 0.02 0.00 -0.11 0.00 0.00 41.96 38.90 3kti s TYR 62 CO 0.04 0.14 -0.15 0.42 -1.11 0.00 0.00 175.55 174.90 3kti s ILE 63 N 0.59 1.54 -0.39 2.71 1.01 0.76 -0.88 121.20 126.54 3kti s ILE 63 Ca 0.36 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.39 3kti s ILE 63 Cb -0.18 -1.42 0.16 0.00 0.01 0.00 0.00 42.46 41.02 3kti s ILE 63 CO 0.18 0.45 0.33 0.21 0.00 0.00 0.00 174.94 176.11 3kti s ASN 64 N 1.22 1.68 -0.03 3.58 2.47 -0.74 -0.39 114.94 122.73 3kti s ASN 64 Ca -0.01 -2.30 -0.10 0.00 0.42 0.00 0.00 52.86 50.87 3kti s ASN 64 Cb -0.14 -0.00 0.02 0.00 -1.45 0.00 0.00 41.25 39.67 3kti s ASN 64 CO -0.06 -0.23 0.22 -0.55 -3.72 0.00 0.00 177.10 172.76 3kti s SER 65 N 0.81 -0.13 0.00 -4.21 0.15 0.71 -3.41 113.70 107.62 3kti s SER 65 Ca 0.23 0.11 0.25 0.00 0.70 0.00 0.00 55.95 57.25 3kti s SER 65 Cb -0.11 0.34 1.07 0.00 -1.71 0.00 0.00 66.02 65.61 3kti s SER 65 CO -0.07 -0.30 1.74 -0.81 1.20 0.00 0.00 173.24 175.00 3kti n PRO 66 N 1.90 1.52 0.00 5.44 -0.04 -1.26 -1.12 135.00 141.43 3kti n PRO 66 Ca -0.19 -0.77 0.00 0.00 -0.04 0.00 0.00 63.50 62.50 3kti n PRO 66 Cb 0.57 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 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 1.09 0.02 0.00 0.55 0.00 -1.07 -4.38 105.19 101.40 3kti n GLY 67 Ca 0.18 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 0.17 3.61 -0.02 0.00 -1.26 0.15 105.19 107.84 3kti n GLY 68 Ca 0.00 -1.23 -0.48 0.00 0.00 0.00 0.00 46.02 44.32 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 1.91 -0.03 1.61 2.88 0.46 -4.68 113.62 115.78 3kti n SER 69 Ca 0.00 1.14 -0.13 0.00 -1.33 0.00 0.00 58.87 58.55 3kti n SER 69 Cb 0.00 -1.29 -0.08 0.00 -0.75 0.00 0.00 64.21 62.09 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 2.90 1.34 -0.72 2.46 2.04 -1.98 -1.52 117.51 122.04 3kti h ILE 70 Ca -0.44 -1.13 -0.03 0.00 1.00 0.00 0.00 64.86 64.26 3kti h ILE 70 Cb 1.32 1.94 -0.03 0.00 -0.74 0.00 0.00 36.82 39.30 3kti h ILE 70 CO 0.74 0.31 0.32 0.71 0.00 0.00 0.00 178.15 180.23 3kti h THR 71 N -0.24 1.23 -0.59 -0.27 1.35 -1.98 0.12 112.91 112.52 3kti h THR 71 Ca 0.01 -0.69 -0.05 0.00 -0.55 0.00 0.00 66.41 65.13 3kti h THR 71 Cb 0.52 0.34 -0.02 0.00 -1.73 0.00 0.00 68.15 67.26 3kti h THR 71 CO 0.01 0.29 0.17 0.00 -0.25 0.00 0.00 175.52 175.74 3kti h ALA 72 N 1.32 0.78 -0.64 6.62 0.00 -1.90 -2.01 119.26 123.43 3kti h ALA 72 Ca 0.25 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3kti h ALA 72 Cb 0.14 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3kti h ALA 72 CO -0.03 0.46 0.25 0.78 0.00 0.00 0.00 179.25 180.71 3kti h GLY 73 N 0.85 1.04 1.95 0.00 0.00 -0.49 -2.67 103.07 103.74 3kti h GLY 73 Ca 0.19 -0.58 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 3kti h GLY 73 CO -0.00 0.54 -0.23 -0.33 0.00 0.00 0.00 176.54 176.52 3kti h MET 74 N 0.91 0.07 -0.68 4.80 2.86 -0.55 0.00 114.93 122.34 3kti h MET 74 Ca 0.21 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.78 3kti h MET 74 Cb 0.22 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 3kti h MET 74 CO -0.02 0.29 0.20 0.00 1.06 0.00 0.00 176.91 178.45 3kti h ALA 75 N 1.71 1.06 -0.10 6.32 0.00 -1.03 0.12 119.26 127.34 3kti h ALA 75 Ca 0.01 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3kti h ALA 75 Cb 0.44 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3kti h ALA 75 CO 0.03 0.63 -0.11 0.82 0.00 0.00 0.00 179.25 180.62 3kti h ILE 76 N 1.01 1.36 -0.08 0.00 2.04 -1.10 -2.53 117.51 118.21 3kti h ILE 76 Ca 0.22 -1.28 0.04 0.00 1.00 0.00 0.00 64.86 64.84 3kti h ILE 76 Cb 0.31 1.98 -0.05 0.00 -0.74 0.00 0.00 36.82 38.32 3kti h ILE 76 CO -0.01 0.36 -0.20 0.22 0.00 0.00 0.00 178.15 178.52 3kti h TYR 77 N -0.16 -0.54 -0.73 1.37 3.20 -0.73 -1.20 116.97 118.18 3kti h TYR 77 Ca 0.02 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.94 3kti h TYR 77 Cb 0.63 0.25 -0.04 0.00 1.54 0.00 0.00 36.73 39.11 3kti h TYR 77 CO 0.09 -0.28 0.48 -0.44 -1.64 0.00 0.00 178.16 176.37 3kti h ASP 78 N -0.28 0.77 -0.29 -2.11 3.45 -0.80 -1.38 116.42 115.78 3kti h ASP 78 Ca 0.08 -0.01 -0.11 0.00 0.43 0.00 0.00 57.03 57.43 3kti h ASP 78 Cb 0.40 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 38.99 3kti h ASP 78 CO -0.25 0.54 -0.23 0.74 -1.57 0.00 0.00 179.24 178.47 3kti h THR 79 N 0.90 1.30 -0.98 0.35 2.02 -1.06 -0.61 112.91 114.82 3kti h THR 79 Ca 0.29 -1.38 0.09 0.00 0.77 0.00 0.00 66.41 66.18 3kti h THR 79 Cb 0.04 1.55 -0.07 0.00 -1.74 0.00 0.00 68.15 67.93 3kti h THR 79 CO -0.08 0.44 0.62 0.24 0.37 0.00 0.00 175.52 177.11 3kti h MET 80 N 0.41 1.03 -0.10 6.66 2.86 -0.57 -1.71 114.93 123.51 3kti h MET 80 Ca 0.05 -0.06 -0.18 0.00 -2.06 0.00 0.00 59.70 57.45 3kti h MET 80 Cb 0.79 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 3kti h MET 80 CO 0.06 0.68 -0.69 1.96 1.06 0.00 0.00 176.91 179.99 3kti h GLN 81 N 1.06 0.43 -0.15 1.72 1.08 -1.01 -3.33 115.11 114.90 3kti h GLN 81 Ca 0.45 -0.33 -0.07 0.00 -1.45 0.00 0.00 58.65 57.26 3kti h GLN 81 Cb 0.32 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.81 3kti h GLN 81 CO -0.22 0.96 -0.16 0.35 -0.95 0.00 0.00 178.83 178.81 3kti h PHE 82 N 0.30 0.46 -4.08 2.96 3.57 -0.26 -3.45 116.94 116.43 3kti h PHE 82 Ca -0.02 -0.14 -0.52 0.00 3.53 0.00 0.00 57.97 60.82 3kti h PHE 82 Cb 1.25 -0.10 0.10 0.00 2.79 0.00 0.00 35.95 39.99 3kti h PHE 82 CO 0.04 0.77 0.47 0.96 -2.23 0.00 0.00 178.31 178.32 3kti s ILE 83 N -4.30 2.81 0.12 1.41 -4.36 -0.75 -4.96 121.20 111.17 3kti s ILE 83 Ca -0.14 0.52 -0.13 0.00 -0.26 0.00 0.00 60.65 60.64 3kti s ILE 83 Cb 0.05 -3.22 -0.06 0.00 1.25 0.00 0.00 42.46 40.48 3kti s ILE 83 CO 0.76 -0.10 1.45 0.11 0.24 0.00 0.00 174.94 177.40 3kti h LYS 84 N 1.12 0.83 -6.82 0.37 1.79 -1.88 -3.45 116.57 108.53 3kti h LYS 84 Ca -0.50 -0.44 -0.56 0.00 -2.18 0.00 0.00 60.65 56.96 3kti h LYS 84 Cb 1.28 0.02 0.12 0.00 -1.58 0.00 0.00 32.23 32.07 3kti h LYS 84 CO 0.56 1.08 0.50 -2.30 -1.08 0.00 0.00 179.45 178.21 3kti n PRO 85 N -4.15 1.97 -2.73 3.15 -0.02 -1.16 -4.93 135.00 127.12 3kti n PRO 85 Ca -0.03 0.70 -0.40 0.00 -2.02 0.00 0.00 63.50 61.74 3kti n PRO 85 Cb 0.51 -2.38 -0.05 0.00 -0.02 0.00 0.00 33.50 31.56 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 -2.16 4.79 -0.32 -0.52 1.02 -1.26 -4.87 119.74 116.43 3kti s LYS 86 Ca 0.60 1.49 -0.07 0.00 0.02 0.00 0.00 55.97 58.02 3kti s LYS 86 Cb -0.52 -3.31 0.03 0.00 -0.52 0.00 0.00 37.83 33.51 3kti s LYS 86 CO 0.59 0.40 0.10 0.08 -0.92 0.00 0.00 175.35 175.59 3kti s VAL 87 N -0.76 3.88 0.26 3.17 1.01 -1.26 -1.55 120.40 125.15 3kti s VAL 87 Ca 0.43 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 61.37 3kti s VAL 87 Cb -0.25 -3.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.94 3kti s VAL 87 CO 0.32 -0.06 0.62 -0.94 0.00 0.00 0.00 175.10 175.04 3kti s SER 88 N 1.45 6.69 0.05 3.32 1.04 0.15 -0.21 113.70 126.19 3kti s SER 88 Ca 0.00 1.06 0.06 0.00 0.48 0.00 0.00 55.95 57.56 3kti s SER 88 Cb -0.18 -2.28 -0.02 0.00 0.10 0.00 0.00 66.02 63.63 3kti s SER 88 CO 0.03 -0.12 -0.17 0.42 0.98 0.00 0.00 173.24 174.37 3kti s THR 89 N -1.88 1.36 -0.07 2.02 -4.23 -0.37 -0.25 115.64 112.22 3kti s THR 89 Ca 0.50 -1.14 0.01 0.00 -1.18 0.00 0.00 61.69 59.88 3kti s THR 89 Cb -0.11 -1.22 0.02 0.00 1.34 0.00 0.00 72.50 72.54 3kti s THR 89 CO 0.20 0.05 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.64 3kti s ILE 90 N -0.89 0.74 -0.36 2.99 1.01 -0.81 0.56 121.20 124.44 3kti s ILE 90 Ca 0.04 -0.19 -0.21 0.00 0.00 0.00 0.00 60.65 60.29 3kti s ILE 90 Cb -0.08 -0.76 0.00 0.00 0.01 0.00 0.00 42.46 41.63 3kti s ILE 90 CO 0.02 0.29 0.66 0.00 0.00 0.00 0.00 174.94 175.90 3kti s ILE 92 N 2.78 2.96 0.00 0.00 1.01 0.48 -2.42 121.20 126.00 3kti s ILE 92 Ca 0.25 -1.22 0.00 0.00 0.00 0.00 0.00 60.65 59.68 3kti s ILE 92 Cb -0.14 -2.62 0.00 0.00 0.01 0.00 0.00 42.46 39.71 3kti s ILE 92 CO 0.15 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.73 3kti n GLY 93 N 4.65 2.18 2.99 6.18 0.00 -1.26 -4.02 105.19 115.90 3kti n GLY 93 Ca -0.15 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 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 0.14 -0.30 1.61 -2.45 -1.26 -0.56 119.30 116.48 3kti s MET 94 Ca 0.00 0.30 0.01 0.00 -1.25 0.00 0.00 55.69 54.74 3kti s MET 94 Cb 0.00 -0.04 0.09 0.00 1.25 0.00 0.00 34.83 36.13 3kti s MET 94 CO 0.00 -0.09 0.06 0.00 1.05 0.00 0.00 175.02 176.04 3kti s ALA 95 N 0.61 1.96 0.13 4.11 0.00 -0.39 -0.21 121.76 127.97 3kti s ALA 95 Ca -0.04 -1.84 0.10 0.00 0.00 0.00 0.00 51.96 50.17 3kti s ALA 95 Cb -0.06 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 3kti s ALA 95 CO -0.03 -1.59 -0.20 0.00 0.00 0.00 0.00 175.76 173.93 3kti s ALA 96 N 1.39 2.61 0.00 0.00 0.00 -0.28 -1.84 121.76 123.65 3kti s ALA 96 Ca 0.08 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.62 3kti s ALA 96 Cb -0.18 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.38 3kti s ALA 96 CO -0.17 0.56 0.00 0.45 0.00 0.00 0.00 175.76 176.59 3kti n SER 97 N 0.73 0.00 0.33 0.00 2.88 0.52 -0.27 113.62 117.81 3kti n SER 97 Ca -0.16 0.00 0.21 0.00 -1.33 0.00 0.00 58.87 57.60 3kti n SER 97 Cb 0.53 0.00 1.12 0.00 -0.75 0.00 0.00 64.21 65.11 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 -0.09 -1.46 0.00 -1.84 0.21 114.93 111.75 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 -0.71 0.78 0.00 0.00 0.00 176.91 176.99 3kti h GLY 99 N 0.29 0.47 1.98 8.32 0.00 -0.91 -2.14 103.07 111.09 3kti h GLY 99 Ca -0.00 -0.65 -0.16 0.00 0.00 0.00 0.00 47.33 46.52 3kti h GLY 99 CO 0.00 0.58 -0.74 0.00 0.00 0.00 0.00 176.54 176.38 3kti h ALA 100 N 0.94 0.77 -0.19 3.60 0.00 -0.55 -2.46 119.26 121.36 3kti h ALA 100 Ca -0.03 -0.67 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 3kti h ALA 100 Cb 1.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3kti h ALA 100 CO 0.12 0.92 0.02 0.35 0.00 0.00 0.00 179.25 180.66 3kti h PHE 101 N 0.01 0.35 -0.09 0.00 3.57 -0.85 -2.05 116.94 117.87 3kti h PHE 101 Ca -0.01 -0.05 -0.09 0.00 3.53 0.00 0.00 57.97 61.35 3kti h PHE 101 Cb 1.31 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 3kti h PHE 101 CO 0.00 0.49 -0.34 -0.07 -2.23 0.00 0.00 178.31 176.16 3kti h LEU 102 N 0.10 0.17 -0.18 0.59 3.38 -1.39 -2.02 115.31 115.97 3kti h LEU 102 Ca 0.06 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3kti h LEU 102 Cb 0.34 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3kti h LEU 102 CO 0.01 0.51 0.06 0.25 0.09 0.00 0.00 178.44 179.36 3kti h LEU 103 N 0.15 0.25 -0.55 1.67 5.85 -1.26 -2.34 115.31 119.09 3kti h LEU 103 Ca 0.02 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.55 3kti h LEU 103 Cb 0.68 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.64 3kti h LEU 103 CO 0.05 0.38 0.00 0.00 -0.34 0.00 0.00 178.44 178.53 3kti n ALA 104 N -2.25 1.54 1.21 1.25 0.00 -0.79 -2.52 120.51 118.95 3kti n ALA 104 Ca -0.04 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.58 3kti n ALA 104 Cb 0.14 -1.31 0.37 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 -1.68 3.15 -0.75 0.00 0.00 -0.79 -4.89 120.51 115.54 3kti n ALA 105 Ca 0.02 -0.38 -0.30 0.00 0.00 0.00 0.00 53.44 52.78 3kti n ALA 105 Cb 0.17 -1.14 0.19 0.00 0.00 0.00 0.00 19.45 18.67 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 -2.60 1.63 0.18 0.00 0.00 -1.05 -4.87 107.32 100.61 3kti s GLY 106 Ca 0.22 0.25 -0.33 0.00 0.00 0.00 0.00 44.72 44.86 3kti s GLY 106 CO 0.55 0.77 1.40 -2.21 0.00 0.00 0.00 173.10 173.61 3kti n GLU 107 N -4.38 1.74 -1.68 2.90 4.07 0.71 -4.82 120.64 119.18 3kti n GLU 107 Ca 0.08 0.62 -0.48 0.00 -0.06 0.00 0.00 57.16 57.32 3kti n GLU 107 Cb 0.53 -2.28 -0.05 0.00 -0.06 0.00 0.00 31.44 29.59 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 2.45 2.09 0.00 5.31 4.01 -1.26 -0.18 118.16 130.59 3kti n LYS 108 Ca 0.15 0.76 0.00 0.00 -0.51 0.00 0.00 58.31 58.71 3kti n LYS 108 Cb 0.27 -2.57 0.00 0.00 -0.51 0.00 0.00 35.03 32.22 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 4.04 2.09 1.08 0.72 0.00 -1.26 -4.89 105.19 106.98 3kti n GLY 109 Ca 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.19 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 2.14 -3.70 1.61 5.02 0.75 -4.83 118.16 117.16 3kti n LYS 110 Ca 0.00 -3.50 -0.38 0.00 -2.02 0.00 0.00 58.31 52.41 3kti n LYS 110 Cb 0.00 -1.83 -0.12 0.00 -0.02 0.00 0.00 35.03 33.06 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 -3.34 3.09 0.40 1.97 0.52 -1.24 -1.24 118.95 119.11 3kti s ARG 111 Ca 0.43 -0.87 0.07 0.00 -0.52 0.00 0.00 55.73 54.84 3kti s ARG 111 Cb 0.39 -3.51 -0.07 0.00 0.52 0.00 0.00 34.95 32.29 3kti s ARG 111 CO -0.03 -0.49 0.06 0.71 0.02 0.00 0.00 175.30 175.57 3kti s TYR 112 N 1.54 2.55 -0.22 -0.53 1.51 0.19 -0.13 117.35 122.27 3kti s TYR 112 Ca 0.03 -0.62 -0.17 0.00 -1.01 0.00 0.00 57.07 55.30 3kti s TYR 112 Cb -0.18 -1.80 0.06 0.00 -0.11 0.00 0.00 41.96 39.93 3kti s TYR 112 CO 0.04 0.37 0.56 0.00 -1.11 0.00 0.00 175.55 175.41 3kti s ALA 113 N -2.65 -1.42 0.62 3.71 0.00 -0.92 -1.12 121.76 119.97 3kti s ALA 113 Ca 0.37 1.72 -0.16 0.00 0.00 0.00 0.00 51.96 53.89 3kti s ALA 113 Cb 0.07 -1.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.16 3kti s ALA 113 CO 0.20 -0.29 1.10 -0.51 0.00 0.00 0.00 175.76 176.26 3kti s LEU 114 N 0.71 3.49 0.34 0.00 1.02 -1.02 -1.22 118.68 122.00 3kti s LEU 114 Ca -0.03 1.99 0.12 0.00 0.02 0.00 0.00 54.13 56.23 3kti s LEU 114 Cb -0.05 -4.55 1.06 0.00 0.02 0.00 0.00 46.19 42.66 3kti s LEU 114 CO -0.05 -1.44 1.60 -0.65 0.02 0.00 0.00 176.35 175.83 3kti h PRO 115 N 0.37 0.07 -0.38 1.29 0.11 -1.87 -1.85 132.00 129.73 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 1.24 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3kti h PRO 115 CO 0.55 0.05 0.00 0.09 -0.21 0.00 0.00 178.00 178.48 3kti n ASN 116 N -5.30 3.89 -4.74 -2.05 4.13 -1.26 -4.55 115.26 105.38 3kti n ASN 116 Ca 0.31 -2.59 -0.33 0.00 1.68 0.00 0.00 54.58 53.65 3kti n ASN 116 Cb 1.01 -0.47 0.10 0.00 -1.54 0.00 0.00 39.78 38.88 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 -1.38 4.25 0.15 6.41 0.01 -0.70 -4.86 113.70 117.58 3kti s SER 117 Ca 0.39 2.10 0.10 0.00 1.31 0.00 0.00 55.95 59.85 3kti s SER 117 Cb 0.28 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 3kti s SER 117 CO 0.14 -2.21 -0.23 -1.61 0.41 0.00 0.00 173.24 169.74 3kti s GLU 118 N -4.34 1.35 -0.03 12.44 2.02 0.28 -3.18 118.70 127.24 3kti s GLU 118 Ca 0.68 -1.37 -0.01 0.00 0.02 0.00 0.00 54.97 54.29 3kti s GLU 118 Cb -0.23 -1.68 0.03 0.00 0.10 0.00 0.00 34.13 32.35 3kti s GLU 118 CO 0.49 0.38 0.03 0.08 0.02 0.00 0.00 175.26 176.26 3kti s VAL 119 N -1.41 0.03 -0.04 2.63 1.01 -0.67 -1.26 120.40 120.68 3kti s VAL 119 Ca 0.15 0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.40 3kti s VAL 119 Cb -0.09 -0.20 0.00 0.00 0.00 0.00 0.00 36.38 36.10 3kti s VAL 119 CO 0.07 0.15 -0.13 -0.32 0.00 0.00 0.00 175.10 174.87 3kti s MET 120 N 1.50 1.47 0.05 2.72 0.00 -0.76 -0.14 119.30 124.13 3kti s MET 120 Ca -0.03 -0.45 0.08 0.00 0.00 0.00 0.00 55.69 55.29 3kti s MET 120 Cb -0.13 -1.29 -0.03 0.00 0.00 0.00 0.00 34.83 33.39 3kti s MET 120 CO -0.03 0.14 -0.23 0.96 0.00 0.00 0.00 175.02 175.86 3kti s ILE 121 N 0.26 1.85 0.00 10.11 -4.36 -0.92 -0.35 121.20 127.79 3kti s ILE 121 Ca -0.06 -1.28 0.00 0.00 -0.26 0.00 0.00 60.65 59.04 3kti s ILE 121 Cb -0.12 -1.60 0.00 0.00 1.25 0.00 0.00 42.46 41.99 3kti s ILE 121 CO 0.02 0.26 0.00 0.00 0.24 0.00 0.00 174.94 175.46 3kti n HIS 122 N 1.80 -0.65 -3.08 1.37 1.44 -1.26 -1.56 115.22 113.28 3kti n HIS 122 Ca -0.17 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.34 3kti n HIS 122 Cb 0.53 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.65 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 -1.31 2.93 0.69 -1.40 -2.07 -0.99 -4.91 119.66 112.60 3kti s GLN 123 Ca 0.00 -0.89 -0.16 0.00 -1.82 0.00 0.00 55.36 52.49 3kti s GLN 123 Cb 0.00 -2.68 0.02 0.00 -1.09 0.00 0.00 33.01 29.26 3kti s GLN 123 CO 0.00 -0.25 1.22 -2.14 -1.32 0.00 0.00 175.29 172.80 3kti s PRO 124 N -4.43 2.37 0.09 9.60 0.02 -1.26 -5.03 135.00 136.36 3kti s PRO 124 Ca 0.50 1.80 0.10 0.00 0.02 0.00 0.00 61.00 63.43 3kti s PRO 124 Cb -0.10 -1.86 -0.03 0.00 0.02 0.00 0.00 34.50 32.53 3kti s PRO 124 CO 0.35 -1.67 -0.26 -0.51 -0.33 0.00 0.00 177.00 174.58 3kti s LEU 125 N -4.84 2.24 0.00 -5.54 1.43 -1.26 -5.10 118.68 105.61 3kti s LEU 125 Ca 0.76 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 53.20 3kti s LEU 125 Cb -0.30 -1.20 0.00 0.00 0.03 0.00 0.00 46.19 44.71 3kti s LEU 125 CO 0.42 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.81 3kti n GLY 126 N 1.36 1.07 2.73 -3.19 0.00 -1.26 -5.08 105.19 100.82 3kti n GLY 126 Ca -0.18 -0.68 -0.06 0.00 0.00 0.00 0.00 46.02 45.10 3kti n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kti n GLY 127 N 0.00 1.26 3.65 -0.02 0.00 -1.26 -5.17 105.19 103.64 3kti n GLY 127 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.83 3kti n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kti s ALA 128 N -1.78 -2.50 -0.07 4.61 0.00 -1.26 -4.97 121.76 115.80 3kti s ALA 128 Ca 0.12 1.84 -0.03 0.00 0.00 0.00 0.00 51.96 53.88 3kti s ALA 128 Cb -0.04 -1.92 0.04 0.00 0.00 0.00 0.00 23.12 21.20 3kti s ALA 128 CO 0.09 -0.22 0.15 1.14 0.00 0.00 0.00 175.76 176.92 3kti s GLN 129 N 0.59 0.10 0.00 0.00 1.03 -1.26 -4.98 119.66 115.14 3kti s GLN 129 Ca -0.01 0.36 0.00 0.00 0.04 0.00 0.00 55.36 55.75 3kti s GLN 129 Cb -0.03 -0.16 0.00 0.00 0.03 0.00 0.00 33.01 32.84 3kti s GLN 129 CO -0.12 -0.16 0.00 0.41 -2.54 0.00 0.00 175.29 172.88 3kti n GLY 130 N 4.13 0.10 3.79 2.60 0.00 -1.26 -4.94 105.19 109.62 3kti n GLY 130 Ca -0.26 -1.16 -0.32 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.00 3.04 0.23 1.61 -0.21 -1.26 -4.78 119.66 116.28 3kti s GLN 131 Ca 0.00 1.20 -0.11 0.00 0.02 0.00 0.00 55.36 56.47 3kti s GLN 131 Cb 0.00 -1.99 0.32 0.00 1.00 0.00 0.00 33.01 32.33 3kti s GLN 131 CO 0.00 -1.03 1.62 0.00 -2.12 0.00 0.00 175.29 173.76 3kti h ALA 132 N 0.01 0.55 -0.91 6.09 0.00 -2.00 0.24 119.26 123.24 3kti h ALA 132 Ca -0.46 0.26 0.11 0.00 0.00 0.00 0.00 54.91 54.82 3kti h ALA 132 Cb 1.23 0.50 -0.08 0.00 0.00 0.00 0.00 17.79 19.44 3kti h ALA 132 CO 0.56 -0.42 0.54 1.15 0.00 0.00 0.00 179.25 181.08 3kti h THR 133 N 0.03 0.91 -0.31 0.00 2.02 -1.99 -0.59 112.91 112.97 3kti h THR 133 Ca 0.35 -0.30 -0.18 0.00 0.77 0.00 0.00 66.41 67.05 3kti h THR 133 Cb 0.57 -0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.93 3kti h THR 133 CO -0.70 0.16 -0.52 -0.33 0.37 0.00 0.00 175.52 174.50 3kti h GLU 134 N 0.88 0.89 -0.73 6.66 5.08 -0.97 -2.53 114.58 123.86 3kti h GLU 134 Ca 0.44 -0.55 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3kti h GLU 134 Cb 0.42 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 3kti h GLU 134 CO -0.26 1.19 0.39 0.82 -1.00 0.00 0.00 179.01 180.15 3kti h ILE 135 N 0.69 1.22 -0.56 3.13 1.08 -0.39 -2.20 117.51 120.49 3kti h ILE 135 Ca 0.02 -0.57 -0.04 0.00 -0.39 0.00 0.00 64.86 63.88 3kti h ILE 135 Cb 1.13 0.24 -0.02 0.00 -3.07 0.00 0.00 36.82 35.10 3kti h ILE 135 CO 0.12 0.25 0.19 -0.08 -0.69 0.00 0.00 178.15 177.94 3kti h GLU 136 N 1.03 0.85 -0.65 2.37 4.81 -1.00 0.10 114.58 122.09 3kti h GLU 136 Ca 0.26 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3kti h GLU 136 Cb 0.05 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 3kti h GLU 136 CO -0.04 0.76 0.37 0.82 -0.73 0.00 0.00 179.01 180.20 3kti h ILE 137 N 0.77 1.20 -0.48 2.32 2.04 -1.08 0.66 117.51 122.94 3kti h ILE 137 Ca 0.18 -0.47 -0.11 0.00 1.00 0.00 0.00 64.86 65.46 3kti h ILE 137 Cb 0.25 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 3kti h ILE 137 CO -0.01 0.21 -0.14 0.00 0.00 0.00 0.00 178.15 178.21 3kti h ALA 138 N 1.19 0.66 0.20 1.87 0.00 -1.14 -2.38 119.26 119.66 3kti h ALA 138 Ca 0.23 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3kti h ALA 138 Cb 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3kti h ALA 138 CO -0.04 0.59 -0.10 0.00 0.00 0.00 0.00 179.25 179.70 3kti h ALA 139 N 0.88 -0.27 -0.88 0.00 0.00 -0.39 -1.86 119.26 116.73 3kti h ALA 139 Ca 0.12 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.00 3kti h ALA 139 Cb 0.70 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 3kti h ALA 139 CO 0.05 -0.58 0.53 0.87 0.00 0.00 0.00 179.25 180.13 3kti h LYS 140 N -0.41 0.89 -0.22 0.00 1.57 -0.89 -1.68 116.57 115.83 3kti h LYS 140 Ca -0.03 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 3kti h LYS 140 Cb 0.32 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3kti h LYS 140 CO 0.04 0.59 0.04 -0.09 -0.57 0.00 0.00 179.45 179.46 3kti h ARG 141 N 0.91 0.36 -0.14 3.15 2.43 -1.25 -1.33 114.38 118.51 3kti h ARG 141 Ca 0.41 -0.10 -0.11 0.00 -0.81 0.00 0.00 59.98 59.38 3kti h ARG 141 Cb 0.32 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 3kti h ARG 141 CO -0.22 0.50 -0.38 0.97 -1.51 0.00 0.00 179.97 179.33 3kti h ILE 142 N 0.16 1.30 -0.04 1.20 2.10 -1.09 -0.72 117.51 120.42 3kti h ILE 142 Ca 0.07 -1.46 -0.12 0.00 1.08 0.00 0.00 64.86 64.43 3kti h ILE 142 Cb 0.31 1.62 -0.01 0.00 -1.09 0.00 0.00 36.82 37.64 3kti h ILE 142 CO 0.00 0.44 -0.50 -0.07 -1.08 0.00 0.00 178.15 176.94 3kti h LEU 143 N 0.25 0.12 -0.18 2.19 3.38 -1.25 -1.00 115.31 118.83 3kti h LEU 143 Ca 0.03 -0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.76 3kti h LEU 143 Cb 0.79 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.51 3kti h LEU 143 CO 0.06 0.61 -0.59 -0.07 0.09 0.00 0.00 178.44 178.54 3kti h LEU 144 N 0.09 0.82 -0.96 1.67 3.38 -0.72 -2.17 115.31 117.43 3kti h LEU 144 Ca 0.00 -0.60 -0.02 0.00 0.09 0.00 0.00 57.88 57.36 3kti h LEU 144 Cb 0.92 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 3kti h LEU 144 CO 0.07 1.28 0.47 -0.07 0.09 0.00 0.00 178.44 180.28 3kti h LEU 145 N 0.41 1.08 -0.52 1.67 3.38 -0.96 0.28 115.31 120.65 3kti h LEU 145 Ca -0.02 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3kti h LEU 145 Cb 1.21 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 3kti h LEU 145 CO 0.13 0.87 0.20 -0.09 0.09 0.00 0.00 178.44 179.63 3kti h ARG 146 N 1.21 0.78 -0.61 1.13 2.43 -1.10 -0.37 114.38 117.84 3kti h ARG 146 Ca 0.30 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 3kti h ARG 146 Cb 0.03 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 3kti h ARG 146 CO -0.05 0.69 0.25 -0.44 -1.51 0.00 0.00 179.97 178.91 3kti h ASP 147 N 0.70 0.84 -0.46 -3.80 3.32 -0.84 0.08 116.42 116.26 3kti h ASP 147 Ca 0.17 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 3kti h ASP 147 Cb 0.21 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 3kti h ASP 147 CO -0.01 0.78 0.22 0.50 -1.72 0.00 0.00 179.24 179.01 3kti h LYS 148 N 0.85 0.66 -0.34 3.56 3.64 -0.64 -0.26 116.57 124.04 3kti h LYS 148 Ca 0.20 -0.09 -0.17 0.00 -1.27 0.00 0.00 60.65 59.32 3kti h LYS 148 Cb 0.20 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3kti h LYS 148 CO -0.02 0.55 -0.45 -0.07 -2.27 0.00 0.00 179.45 177.20 3kti h LEU 149 N 0.60 0.98 -0.91 5.20 3.38 -0.95 -2.99 115.31 120.61 3kti h LEU 149 Ca 0.16 -0.48 -0.10 0.00 0.09 0.00 0.00 57.88 57.55 3kti h LEU 149 Cb 0.11 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3kti h LEU 149 CO -0.02 1.28 -0.27 0.78 0.09 0.00 0.00 178.44 180.30 3kti h ASN 150 N 0.72 0.49 -0.32 -0.43 2.35 -0.80 -1.46 115.58 116.13 3kti h ASN 150 Ca 0.04 -0.17 -0.12 0.00 -0.55 0.00 0.00 56.30 55.51 3kti h ASN 150 Cb 1.05 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.27 3kti h ASN 150 CO 0.11 0.75 -0.22 0.11 -1.65 0.00 0.00 177.43 176.52 3kti h LYS 151 N 0.42 0.80 -0.39 0.81 1.57 -1.03 -0.15 116.57 118.60 3kti h LYS 151 Ca 0.06 -0.33 -0.11 0.00 -1.87 0.00 0.00 60.65 58.41 3kti h LYS 151 Cb 0.69 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 3kti h LYS 151 CO 0.05 0.95 -0.17 0.28 -0.57 0.00 0.00 179.45 179.99 3kti h VAL 152 N 0.70 1.28 -0.82 0.50 2.07 -1.35 -1.96 116.25 116.68 3kti h VAL 152 Ca 0.10 -1.30 -0.03 0.00 0.82 0.00 0.00 66.70 66.29 3kti h VAL 152 Cb 0.74 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 3kti h VAL 152 CO 0.06 0.43 0.40 -0.07 0.02 0.00 0.00 177.57 178.41 3kti h LEU 153 N 0.62 1.07 0.10 2.57 3.38 -1.09 -0.26 115.31 121.69 3kti h LEU 153 Ca 0.09 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.95 3kti h LEU 153 Cb 0.72 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3kti h LEU 153 CO 0.05 0.90 -0.17 0.00 0.09 0.00 0.00 178.44 179.32 3kti h ALA 154 N 1.26 -0.28 -0.49 1.53 0.00 -0.79 0.18 119.26 120.66 3kti h ALA 154 Ca 0.28 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.19 3kti h ALA 154 Cb 0.11 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3kti h ALA 154 CO -0.04 -0.69 0.30 0.93 0.00 0.00 0.00 179.25 179.75 3kti h GLU 155 N -0.33 0.58 -0.20 0.00 5.08 -1.03 -0.75 114.58 117.92 3kti h GLU 155 Ca 0.02 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 3kti h GLU 155 Cb 0.34 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3kti h GLU 155 CO -0.09 0.38 -0.28 0.00 -1.00 0.00 0.00 179.01 178.02 3kti h ARG 156 N 0.59 0.39 0.00 2.33 2.47 -0.64 -3.32 114.38 116.21 3kti h ARG 156 Ca 0.20 -0.15 -0.31 0.00 -1.26 0.00 0.00 59.98 58.46 3kti h ARG 156 Cb 0.01 -0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.25 3kti h ARG 156 CO -0.09 0.64 -2.06 0.25 0.56 0.00 0.00 179.97 179.27 3kti n THR 157 N -4.11 1.38 0.00 2.04 -2.24 0.58 -4.81 114.28 107.12 3kti n THR 157 Ca -0.01 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 3kti n THR 157 Cb 0.41 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 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 1.63 0.37 3.82 3.38 0.00 -0.30 -4.38 105.19 109.71 3kti n GLY 158 Ca -0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.98 4.22 0.71 1.61 -1.52 -1.19 -5.03 119.66 117.48 3kti s GLN 159 Ca 0.00 0.83 -0.11 0.00 -1.95 0.00 0.00 55.36 54.12 3kti s GLN 159 Cb 0.00 -2.89 0.02 0.00 -0.22 0.00 0.00 33.01 29.92 3kti s GLN 159 CO 0.00 0.41 1.07 -1.25 -0.25 0.00 0.00 175.29 175.27 3kti s PRO 160 N -1.96 2.73 0.21 2.91 0.04 -1.26 -4.37 135.00 133.29 3kti s PRO 160 Ca 0.42 1.09 -0.11 0.00 0.04 0.00 0.00 61.00 62.44 3kti s PRO 160 Cb -0.17 -1.96 0.28 0.00 0.04 0.00 0.00 34.50 32.70 3kti s PRO 160 CO 0.21 -1.27 1.69 1.25 0.04 0.00 0.00 177.00 178.91 3kti h LEU 161 N -0.70 -0.13 -1.51 -3.56 5.85 -1.92 -1.02 115.31 112.31 3kti h LEU 161 Ca -0.44 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3kti h LEU 161 Cb 1.22 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.46 3kti h LEU 161 CO 0.55 -0.05 0.00 -0.33 -0.34 0.00 0.00 178.44 178.27 3kti h GLU 162 N 0.18 0.00 0.14 1.25 5.08 -1.96 -0.44 114.58 118.83 3kti h GLU 162 Ca 0.31 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.47 3kti h GLU 162 Cb 0.48 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.75 3kti h GLU 162 CO -0.45 0.00 -0.92 0.28 -1.00 0.00 0.00 179.01 176.92 3kti h VAL 163 N 0.00 1.44 -0.50 3.13 2.07 -1.57 -2.41 116.25 118.41 3kti h VAL 163 Ca 0.00 -2.52 0.07 0.00 0.82 0.00 0.00 66.70 65.07 3kti h VAL 163 Cb 0.39 3.13 -0.06 0.00 -1.52 0.00 0.00 31.29 33.22 3kti h VAL 163 CO 0.00 0.72 0.15 0.40 0.02 0.00 0.00 177.57 178.86 3kti h ILE 164 N -0.35 0.79 -0.09 4.57 1.08 -0.88 0.80 117.51 123.42 3kti h ILE 164 Ca -0.17 -0.11 0.01 0.00 -0.39 0.00 0.00 64.86 64.20 3kti h ILE 164 Cb 1.67 0.45 -0.01 0.00 -3.07 0.00 0.00 36.82 35.86 3kti h ILE 164 CO 0.14 0.06 0.03 -0.08 -0.69 0.00 0.00 178.15 177.61 3kti h GLU 165 N 0.31 0.08 -0.63 2.37 4.81 -1.15 -1.52 114.58 118.85 3kti h GLU 165 Ca 0.24 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 3kti h GLU 165 Cb 0.28 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 3kti h GLU 165 CO -0.27 0.05 0.33 -0.09 -0.73 0.00 0.00 179.01 178.30 3kti h ARG 166 N 0.08 0.89 0.00 1.92 2.43 -1.03 -2.66 114.38 116.01 3kti h ARG 166 Ca 0.04 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3kti h ARG 166 Cb 0.02 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 3kti h ARG 166 CO -0.04 0.69 0.00 -0.25 -1.51 0.00 0.00 179.97 178.86 3kti n ASP 167 N -4.53 0.53 -0.61 -3.80 9.92 0.24 -2.85 116.55 115.45 3kti n ASP 167 Ca 0.04 0.59 0.06 0.00 -0.53 0.00 0.00 54.79 54.95 3kti n ASP 167 Cb 0.10 -0.72 0.13 0.00 -0.64 0.00 0.00 41.12 39.99 3kti n ASP 167 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 3kti n THR 168 N -2.04 0.78 -0.23 -3.53 -2.24 -0.59 -4.58 114.28 101.85 3kti n THR 168 Ca 0.04 -0.89 0.01 0.00 -2.27 0.00 0.00 64.05 60.94 3kti n THR 168 Cb 0.30 0.66 0.13 0.00 -2.10 0.00 0.00 70.33 69.32 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 2.10 0.40 -3.08 3.42 1.82 -1.32 -2.63 116.42 117.12 3kti h ASP 169 Ca 0.00 0.06 -0.47 0.00 -0.39 0.00 0.00 57.03 56.23 3kti h ASP 169 Cb 0.68 -0.00 -0.14 0.00 0.68 0.00 0.00 39.33 40.54 3kti h ASP 169 CO 0.00 0.23 -0.72 -0.13 -1.61 0.00 0.00 179.24 177.02 3kti s ARG 170 N -6.07 1.41 -0.28 0.28 0.52 -1.26 -4.67 118.95 108.88 3kti s ARG 170 Ca -0.13 -1.66 -0.42 0.00 -0.52 0.00 0.00 55.73 53.01 3kti s ARG 170 Cb 0.17 -1.16 -0.17 0.00 0.52 0.00 0.00 34.95 34.31 3kti s ARG 170 CO 0.76 0.15 1.60 -0.25 0.02 0.00 0.00 175.30 177.58 3kti n ASP 171 N -0.45 1.78 -4.01 0.23 9.92 -1.26 -4.73 116.55 118.03 3kti n ASP 171 Ca -0.07 1.12 -0.31 0.00 -0.53 0.00 0.00 54.79 55.00 3kti n ASP 171 Cb 0.61 -1.06 -0.14 0.00 -0.64 0.00 0.00 41.12 39.89 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 2.75 4.67 -0.06 -2.24 3.04 -0.60 -5.01 114.94 117.49 3kti s ASN 172 Ca 0.98 -2.41 -0.24 0.00 0.04 0.00 0.00 52.86 51.23 3kti s ASN 172 Cb -1.19 -1.65 -0.04 0.00 -1.54 0.00 0.00 41.25 36.83 3kti s ASN 172 CO 0.67 -0.34 0.71 -0.36 -3.04 0.00 0.00 177.10 174.74 3kti s PHE 173 N 0.55 3.58 0.04 0.43 0.08 -1.26 -2.16 117.98 119.24 3kti s PHE 173 Ca 0.13 1.26 0.06 0.00 0.12 0.00 0.00 56.93 58.50 3kti s PHE 173 Cb -0.21 -2.82 -0.02 0.00 -0.57 0.00 0.00 43.02 39.40 3kti s PHE 173 CO -0.05 0.08 -0.18 0.15 -0.10 0.00 0.00 175.22 175.12 3kti s LYS 174 N 0.81 1.20 0.91 0.44 1.02 0.80 -5.00 119.74 119.93 3kti s LYS 174 Ca 0.38 -0.86 -0.14 0.00 0.02 0.00 0.00 55.97 55.37 3kti s LYS 174 Cb -0.18 -1.27 0.16 0.00 -0.52 0.00 0.00 37.83 36.02 3kti s LYS 174 CO 0.18 0.32 1.27 -1.54 -0.92 0.00 0.00 175.35 174.67 3kti s SER 175 N -1.14 3.59 0.26 2.83 1.04 -1.26 -1.67 113.70 117.34 3kti s SER 175 Ca 0.05 0.42 -0.05 0.00 0.48 0.00 0.00 55.95 56.86 3kti s SER 175 Cb -0.08 -0.62 0.31 0.00 0.10 0.00 0.00 66.02 65.73 3kti s SER 175 CO 0.02 -2.45 1.90 0.00 0.98 0.00 0.00 173.24 173.68 3kti h ALA 176 N -1.43 1.26 -0.23 5.32 0.00 -1.78 0.18 119.26 122.57 3kti h ALA 176 Ca -0.45 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 3kti h ALA 176 Cb 1.27 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3kti h ALA 176 CO 0.47 0.62 0.08 0.93 0.00 0.00 0.00 179.25 181.35 3kti h GLU 177 N 1.20 0.35 -0.29 0.00 3.07 -1.91 -1.80 114.58 115.18 3kti h GLU 177 Ca 0.31 -0.07 -0.09 0.00 -0.50 0.00 0.00 59.36 59.01 3kti h GLU 177 Cb -0.02 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 3kti h GLU 177 CO -0.05 0.41 -0.21 0.93 -1.40 0.00 0.00 179.01 178.69 3kti h GLU 178 N 0.21 0.54 -0.80 2.33 5.08 -1.83 -1.37 114.58 118.74 3kti h GLU 178 Ca 0.08 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 3kti h GLU 178 Cb 0.20 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 3kti h GLU 178 CO -0.00 0.72 0.32 0.00 -1.00 0.00 0.00 179.01 179.04 3kti h ALA 179 N 1.30 1.04 0.14 3.43 0.00 -0.76 -0.13 119.26 124.28 3kti h ALA 179 Ca 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3kti h ALA 179 Cb 0.63 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3kti h ALA 179 CO 0.04 0.66 -0.07 1.25 0.00 0.00 0.00 179.25 181.14 3kti h LEU 180 N 1.16 -0.16 -1.49 0.00 5.85 -1.02 -0.28 115.31 119.36 3kti h LEU 180 Ca 0.27 -0.16 0.10 0.00 0.84 0.00 0.00 57.88 58.92 3kti h LEU 180 Cb 0.21 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 3kti h LEU 180 CO -0.02 0.07 0.46 -0.08 -0.34 0.00 0.00 178.44 178.53 3kti h GLU 181 N -0.40 0.55 0.00 1.25 4.57 -1.01 -0.97 114.58 118.57 3kti h GLU 181 Ca -0.02 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.08 3kti h GLU 181 Cb 0.32 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 3kti h GLU 181 CO 0.03 0.36 -0.24 -0.92 -1.18 0.00 0.00 179.01 177.07 3kti h TYR 182 N 0.57 0.00 0.00 0.92 3.20 -0.79 -3.47 116.97 117.39 3kti h TYR 182 Ca 0.32 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.19 3kti h TYR 182 Cb 0.51 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.78 3kti h TYR 182 CO -0.00 0.24 0.00 0.41 -1.64 0.00 0.00 178.16 177.16 3kti n GLY 183 N 0.85 0.97 0.12 1.82 0.00 -0.37 -4.69 105.19 103.89 3kti n GLY 183 Ca 0.02 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.02 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 -8.85 0.99 3.38 -1.29 -3.35 115.31 106.19 3kti h LEU 184 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 3kti h LEU 184 Cb 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.61 3kti h LEU 184 CO 0.00 0.58 -0.61 0.27 0.09 0.00 0.00 178.44 178.78 3kti s ILE 185 N -2.92 0.44 -0.12 1.22 -4.36 -1.22 -3.94 121.20 110.31 3kti s ILE 185 Ca 0.02 -2.00 0.06 0.00 -0.26 0.00 0.00 60.65 58.47 3kti s ILE 185 Cb 0.08 -2.60 -0.11 0.00 1.25 0.00 0.00 42.46 41.08 3kti s ILE 185 CO 0.77 0.00 -0.02 0.47 0.24 0.00 0.00 174.94 176.40 3kti n ASP 186 N -0.49 2.60 -3.77 4.36 8.00 0.82 -4.57 116.55 123.50 3kti n ASP 186 Ca 0.00 -0.03 -0.13 0.00 0.71 0.00 0.00 54.79 55.35 3kti n ASP 186 Cb 0.66 0.40 -0.09 0.00 -0.02 0.00 0.00 41.12 42.08 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 -2.26 0.65 -0.21 -1.24 2.20 -0.79 -5.02 119.74 113.08 3kti s LYS 187 Ca -0.10 -0.21 -0.07 0.00 -0.36 0.00 0.00 55.97 55.22 3kti s LYS 187 Cb 0.04 0.29 -0.04 0.00 -1.51 0.00 0.00 37.83 36.61 3kti s LYS 187 CO 0.39 -0.18 0.07 0.42 -0.36 0.00 0.00 175.35 175.69 3kti s ILE 188 N -1.33 4.64 -0.56 5.43 1.01 -1.26 -2.17 121.20 126.95 3kti s ILE 188 Ca -0.14 -0.08 -0.27 0.00 0.00 0.00 0.00 60.65 60.16 3kti s ILE 188 Cb -0.05 -3.12 0.03 0.00 0.01 0.00 0.00 42.46 39.33 3kti s ILE 188 CO 0.04 0.41 1.14 -0.76 0.00 0.00 0.00 174.94 175.77 3kti s LEU 189 N 0.80 3.60 0.00 2.97 1.43 -0.36 -4.94 118.68 122.18 3kti s LEU 189 Ca 0.04 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 3kti s LEU 189 Cb -0.14 -3.13 0.00 0.00 0.03 0.00 0.00 46.19 42.95 3kti s LEU 189 CO 0.02 -1.41 0.44 0.35 0.23 0.00 0.00 176.35 175.98 3kti n THR 190 N 6.59 0.00 -1.34 5.49 -2.24 -1.26 -3.72 114.28 117.81 3kti n THR 190 Ca 0.07 0.83 0.00 0.00 -2.27 0.00 0.00 64.05 62.68 3kti n THR 190 Cb 0.49 -1.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.11 3kti n THR 190 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91