#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kti h ILE 19 N 0.00 0.47 0.02 5.18 6.09 -2.06 -3.24 117.51 123.96 3kti h ILE 19 Ca 0.00 -1.68 -0.23 0.00 -1.37 0.00 0.00 64.86 61.58 3kti h ILE 19 Cb 0.00 2.20 -0.03 0.00 0.47 0.00 0.00 36.82 39.46 3kti h ILE 19 CO 0.00 0.27 -1.16 1.88 -3.07 0.00 0.00 178.15 176.07 3kti h TYR 20 N 0.00 0.07 -0.49 2.19 0.05 -2.00 -3.07 116.97 113.73 3kti h TYR 20 Ca -0.01 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 3kti h TYR 20 Cb 1.23 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.94 3kti h TYR 20 CO 0.00 1.04 0.27 0.77 -1.05 0.00 0.00 178.16 179.19 3kti h SER 21 N 0.01 0.59 -0.25 3.88 0.02 -1.97 0.11 113.55 115.94 3kti h SER 21 Ca -0.08 -0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.72 3kti h SER 21 Cb 1.84 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 64.22 3kti h SER 21 CO 0.13 0.48 -0.27 -0.09 -1.14 0.00 0.00 176.83 175.94 3kti h ARG 22 N 0.67 0.75 -0.08 3.45 9.65 -1.61 -2.73 114.38 124.48 3kti h ARG 22 Ca 0.17 -0.32 -0.15 0.00 -1.10 0.00 0.00 59.98 58.58 3kti h ARG 22 Cb 0.01 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 3kti h ARG 22 CO -0.03 0.93 -0.62 -0.07 2.80 0.00 0.00 179.97 182.98 3kti h LEU 23 N 0.64 0.31 -1.02 3.80 3.38 -1.10 -3.02 115.31 118.31 3kti h LEU 23 Ca 0.08 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3kti h LEU 23 Cb 0.78 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 3kti h LEU 23 CO 0.06 0.85 0.24 0.25 0.09 0.00 0.00 178.44 179.93 3kti h LEU 24 N 0.20 0.87 -1.52 1.67 5.85 -0.63 -0.84 115.31 120.90 3kti h LEU 24 Ca -0.01 -0.13 0.09 0.00 0.84 0.00 0.00 57.88 58.68 3kti h LEU 24 Cb 1.13 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 3kti h LEU 24 CO 0.10 0.79 0.44 0.11 -0.34 0.00 0.00 178.44 179.54 3kti h LYS 25 N 0.93 0.53 -0.52 1.25 1.79 -1.35 0.22 116.57 119.41 3kti h LYS 25 Ca 0.22 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 3kti h LYS 25 Cb 0.20 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 3kti h LYS 25 CO -0.02 0.35 0.00 -0.25 -1.08 0.00 0.00 179.45 178.45 3kti n ASP 26 N -4.48 2.52 -2.87 0.86 8.00 -0.48 -4.90 116.55 115.19 3kti n ASP 26 Ca 0.11 -2.17 -0.18 0.00 0.71 0.00 0.00 54.79 53.26 3kti n ASP 26 Cb 0.34 -0.37 0.06 0.00 -0.02 0.00 0.00 41.12 41.13 3kti n ASP 26 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kti n ARG 27 N 0.51 -6.04 -4.15 -1.24 1.74 0.77 -4.87 116.66 103.39 3kti n ARG 27 Ca 0.13 0.64 -0.34 0.00 -0.77 0.00 0.00 57.85 57.51 3kti n ARG 27 Cb 0.46 -5.10 -0.15 0.00 -1.02 0.00 0.00 32.46 26.66 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 2.75 -0.17 0.55 1.01 -0.45 -0.93 121.20 120.72 3kti s ILE 28 Ca 0.41 -0.71 -0.07 0.00 0.00 0.00 0.00 60.65 60.28 3kti s ILE 28 Cb -0.18 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 3kti s ILE 28 CO 0.56 0.49 0.07 -0.63 0.00 0.00 0.00 174.94 175.42 3kti s ILE 29 N 1.22 4.83 -0.41 2.92 -1.09 0.18 -3.63 121.20 125.22 3kti s ILE 29 Ca 0.02 -0.02 -0.16 0.00 -2.23 0.00 0.00 60.65 58.26 3kti s ILE 29 Cb -0.14 -3.16 0.02 0.00 -1.58 0.00 0.00 42.46 37.60 3kti s ILE 29 CO -0.06 0.49 0.35 -0.04 -1.23 0.00 0.00 174.94 174.46 3kti s MET 30 N 0.12 3.05 -0.90 2.79 -1.94 -1.26 -0.58 119.30 120.58 3kti s MET 30 Ca 0.05 -0.89 -0.03 0.00 -1.71 0.00 0.00 55.69 53.11 3kti s MET 30 Cb -0.12 -3.97 0.22 0.00 2.01 0.00 0.00 34.83 32.98 3kti s MET 30 CO 0.01 -0.78 0.80 -1.17 -0.01 0.00 0.00 175.02 173.87 3kti s LEU 31 N 1.87 5.68 -0.39 -0.03 2.96 0.21 -4.90 118.68 124.08 3kti s LEU 31 Ca 0.08 -3.59 0.05 0.00 -0.22 0.00 0.00 54.13 50.45 3kti s LEU 31 Cb -0.18 -1.96 0.45 0.00 0.50 0.00 0.00 46.19 45.00 3kti s LEU 31 CO 0.11 -0.23 1.35 0.61 -1.32 0.00 0.00 176.35 176.88 3kti n GLY 32 N 2.55 6.25 3.83 7.98 0.00 -1.26 -1.01 105.19 123.53 3kti n GLY 32 Ca 0.20 -2.62 -0.07 0.00 0.00 0.00 0.00 46.02 43.54 3kti n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kti s SER 33 N -3.22 -0.13 0.48 1.61 1.04 -1.17 -4.88 113.70 107.43 3kti s SER 33 Ca 0.53 -0.78 -0.24 0.00 0.48 0.00 0.00 55.95 55.94 3kti s SER 33 Cb 0.43 0.72 -0.07 0.00 0.10 0.00 0.00 66.02 67.19 3kti s SER 33 CO -0.01 -1.38 1.39 0.00 0.98 0.00 0.00 173.24 174.22 3kti n ALA 34 N -0.51 1.81 -2.57 5.32 0.00 -1.26 -4.57 120.51 118.74 3kti n ALA 34 Ca -0.06 0.21 -0.43 0.00 0.00 0.00 0.00 53.44 53.17 3kti n ALA 34 Cb 0.60 -2.37 -0.05 0.00 0.00 0.00 0.00 19.45 17.63 3kti n ALA 34 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3kti s ILE 35 N -1.23 4.69 0.42 0.00 1.01 0.17 -4.88 121.20 121.37 3kti s ILE 35 Ca 0.65 0.70 0.04 0.00 0.00 0.00 0.00 60.65 62.03 3kti s ILE 35 Cb -0.44 -4.26 -0.02 0.00 0.01 0.00 0.00 42.46 37.74 3kti s ILE 35 CO 0.55 -0.57 0.13 1.51 0.00 0.00 0.00 174.94 176.56 3kti s ASP 36 N 1.98 2.89 0.31 3.58 1.47 -1.26 -0.68 116.67 124.95 3kti s ASP 36 Ca 0.31 -1.69 0.01 0.00 1.18 0.00 0.00 52.55 52.36 3kti s ASP 36 Cb -0.13 0.53 0.54 0.00 -0.34 0.00 0.00 42.92 43.53 3kti s ASP 36 CO 0.20 -0.95 1.92 0.44 0.68 0.00 0.00 175.17 177.47 3kti h ASP 37 N 1.75 0.89 0.12 2.11 3.45 -1.95 -0.53 116.42 122.26 3kti h ASP 37 Ca -0.35 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.11 3kti h ASP 37 Cb 1.28 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 39.85 3kti h ASP 37 CO 0.57 0.58 -0.12 0.78 -1.57 0.00 0.00 179.24 179.48 3kti h ASN 38 N 1.01 -0.31 -0.17 6.45 2.35 -1.98 -0.52 115.58 122.42 3kti h ASN 38 Ca 0.37 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 56.14 3kti h ASN 38 Cb 0.16 0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 3kti h ASN 38 CO -0.13 -0.18 0.08 0.58 -1.65 0.00 0.00 177.43 176.13 3kti h VAL 39 N -0.26 1.14 -0.51 2.81 2.07 -1.82 -2.26 116.25 117.41 3kti h VAL 39 Ca 0.00 -0.40 0.06 0.00 0.82 0.00 0.00 66.70 67.19 3kti h VAL 39 Cb 0.25 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 3kti h VAL 39 CO -0.03 0.13 0.20 0.00 0.02 0.00 0.00 177.57 177.89 3kti h ALA 40 N 0.94 0.63 -0.51 1.67 0.00 -0.96 0.19 119.26 121.23 3kti h ALA 40 Ca 0.06 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3kti h ALA 40 Cb 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3kti h ALA 40 CO -0.01 -0.18 0.06 -0.91 0.00 0.00 0.00 179.25 178.21 3kti h ASN 41 N 0.40 0.77 -0.24 0.00 2.35 -1.00 0.39 115.58 118.24 3kti h ASN 41 Ca 0.24 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 3kti h ASN 41 Cb 0.23 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 3kti h ASN 41 CO -0.22 0.80 0.10 -1.28 -1.65 0.00 0.00 177.43 175.18 3kti h SER 42 N 0.77 0.33 -0.76 5.81 0.87 -0.72 -1.54 113.55 118.31 3kti h SER 42 Ca 0.16 -0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 3kti h SER 42 Cb 0.39 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.23 3kti h SER 42 CO 0.01 0.39 0.24 0.40 -0.53 0.00 0.00 176.83 177.34 3kti h ILE 43 N 0.24 1.26 -0.43 2.23 1.08 -0.65 -1.94 117.51 119.30 3kti h ILE 43 Ca 0.08 -0.92 -0.00 0.00 -0.39 0.00 0.00 64.86 63.63 3kti h ILE 43 Cb 0.17 0.43 -0.02 0.00 -3.07 0.00 0.00 36.82 34.32 3kti h ILE 43 CO -0.01 0.36 0.25 0.58 -0.69 0.00 0.00 178.15 178.65 3kti h VAL 44 N 1.13 1.14 0.03 1.67 2.07 -0.74 -1.13 116.25 120.42 3kti h VAL 44 Ca 0.24 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3kti h VAL 44 Cb 0.31 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3kti h VAL 44 CO -0.01 0.14 -0.02 0.28 0.02 0.00 0.00 177.57 177.98 3kti h SER 45 N 0.56 -0.06 -0.75 0.57 0.02 -1.01 -1.34 113.55 111.54 3kti h SER 45 Ca 0.15 0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.18 3kti h SER 45 Cb 0.01 0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.51 3kti h SER 45 CO -0.03 -0.04 0.42 1.56 -1.14 0.00 0.00 176.83 177.61 3kti h GLN 46 N -0.05 0.73 -0.61 3.45 4.20 -1.19 0.30 115.11 121.93 3kti h GLN 46 Ca 0.00 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 3kti h GLN 46 Cb 0.05 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 3kti h GLN 46 CO -0.00 0.48 0.36 -0.07 -0.67 0.00 0.00 178.83 178.93 3kti h LEU 47 N 0.75 0.74 -0.46 1.46 3.38 -0.84 0.21 115.31 120.55 3kti h LEU 47 Ca 0.35 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 58.12 3kti h LEU 47 Cb 0.26 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3kti h LEU 47 CO -0.21 0.60 -0.22 -0.07 0.09 0.00 0.00 178.44 178.63 3kti h LEU 48 N 0.83 0.99 0.37 1.67 3.38 -0.47 -1.91 115.31 120.18 3kti h LEU 48 Ca 0.22 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3kti h LEU 48 Cb -0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3kti h LEU 48 CO -0.04 1.17 -0.24 0.15 0.09 0.00 0.00 178.44 179.58 3kti h PHE 49 N 0.81 -0.62 -0.76 1.13 3.57 -0.02 -0.48 116.94 120.56 3kti h PHE 49 Ca 0.10 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 3kti h PHE 49 Cb 0.80 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.72 3kti h PHE 49 CO 0.05 -0.37 0.37 -0.07 -2.23 0.00 0.00 178.31 176.07 3kti h LEU 50 N -0.59 0.98 -1.35 0.59 3.38 -0.97 0.14 115.31 117.50 3kti h LEU 50 Ca -0.04 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 3kti h LEU 50 Cb 0.49 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3kti h LEU 50 CO 0.03 0.83 -0.27 0.00 0.09 0.00 0.00 178.44 179.12 3kti h ALA 51 N 1.32 1.46 -0.03 1.53 0.00 -1.19 -1.66 119.26 120.70 3kti h ALA 51 Ca 0.26 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 3kti h ALA 51 Cb 0.10 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.84 3kti h ALA 51 CO -0.03 0.39 -0.55 0.00 0.00 0.00 0.00 179.25 179.06 3kti h ALA 52 N 1.65 0.10 -0.56 0.00 0.00 -0.12 -1.74 119.26 118.60 3kti h ALA 52 Ca 0.01 -0.54 0.01 0.00 0.00 0.00 0.00 54.91 54.39 3kti h ALA 52 Cb 0.52 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3kti h ALA 52 CO 0.04 0.33 0.37 0.93 0.00 0.00 0.00 179.25 180.92 3kti h GLU 53 N -0.08 0.70 -0.52 0.00 4.39 -0.44 -3.40 114.58 115.22 3kti h GLU 53 Ca -0.06 -0.04 0.12 0.00 0.34 0.00 0.00 59.36 59.72 3kti h GLU 53 Cb 1.24 -0.16 -0.19 0.00 -0.10 0.00 0.00 28.75 29.54 3kti h GLU 53 CO 0.11 0.47 -0.18 0.34 -1.16 0.00 0.00 179.01 178.59 3kti s ASP 54 N -6.52 -0.84 0.00 1.42 3.68 -0.65 -5.02 116.67 108.75 3kti s ASP 54 Ca -0.09 -0.06 0.08 0.00 2.13 0.00 0.00 52.55 54.60 3kti s ASP 54 Cb 0.18 1.38 0.46 0.00 -1.45 0.00 0.00 42.92 43.48 3kti s ASP 54 CO 0.75 -0.14 0.89 -0.81 0.13 0.00 0.00 175.17 176.00 3kti n PRO 55 N 4.83 0.45 -0.10 4.34 -0.04 -0.66 -3.50 135.00 140.32 3kti n PRO 55 Ca 0.08 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.36 3kti n PRO 55 Cb 0.58 -1.26 -0.06 0.00 -0.04 0.00 0.00 33.50 32.71 3kti n PRO 55 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3kti n GLU 56 N -0.76 0.52 -1.76 0.54 -0.58 -1.26 -3.28 120.64 114.05 3kti n GLU 56 Ca 0.06 0.22 -0.41 0.00 -0.42 0.00 0.00 57.16 56.60 3kti n GLU 56 Cb 0.03 -1.39 -0.00 0.00 -0.57 0.00 0.00 31.44 29.51 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 -4.27 2.58 -1.15 3.49 5.02 -1.23 -4.69 118.16 117.91 3kti n LYS 57 Ca -0.32 0.91 -0.31 0.00 -2.02 0.00 0.00 58.31 56.57 3kti n LYS 57 Cb 0.67 -2.61 0.11 0.00 -0.02 0.00 0.00 35.03 33.18 3kti n LYS 57 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3kti s GLU 58 N -1.98 1.92 -0.01 1.97 -1.05 -1.26 -4.62 118.70 113.66 3kti s GLU 58 Ca 0.54 1.21 0.08 0.00 -0.15 0.00 0.00 54.97 56.64 3kti s GLU 58 Cb -0.49 -1.86 -0.02 0.00 -0.44 0.00 0.00 34.13 31.32 3kti s GLU 58 CO 0.63 -1.89 -0.25 0.42 0.95 0.00 0.00 175.26 175.12 3kti s ILE 59 N -2.86 1.97 -0.19 1.83 1.01 -0.39 -4.95 121.20 117.62 3kti s ILE 59 Ca 0.62 -1.09 -0.06 0.00 0.00 0.00 0.00 60.65 60.13 3kti s ILE 59 Cb -0.18 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 3kti s ILE 59 CO 0.57 0.53 0.02 -0.44 0.00 0.00 0.00 174.94 175.62 3kti s SER 60 N -0.64 5.08 -0.36 3.58 0.01 -0.11 -0.01 113.70 121.24 3kti s SER 60 Ca 0.10 -0.11 -0.04 0.00 1.31 0.00 0.00 55.95 57.21 3kti s SER 60 Cb -0.10 -1.87 0.07 0.00 0.21 0.00 0.00 66.02 64.34 3kti s SER 60 CO -0.01 0.11 0.12 -0.22 0.41 0.00 0.00 173.24 173.65 3kti s LEU 61 N 0.76 4.62 -0.09 2.44 2.96 0.34 0.49 118.68 130.19 3kti s LEU 61 Ca 0.01 -1.58 -0.25 0.00 -0.22 0.00 0.00 54.13 52.09 3kti s LEU 61 Cb -0.14 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 3kti s LEU 61 CO 0.02 -0.41 0.78 -0.31 -1.32 0.00 0.00 176.35 175.11 3kti s TYR 62 N 1.25 3.54 -0.15 5.38 2.02 0.25 -1.51 117.35 128.13 3kti s TYR 62 Ca 0.02 1.32 0.02 0.00 -0.37 0.00 0.00 57.07 58.05 3kti s TYR 62 Cb -0.21 -2.92 0.01 0.00 -0.40 0.00 0.00 41.96 38.44 3kti s TYR 62 CO -0.01 -0.03 -0.21 0.42 -1.57 0.00 0.00 175.55 174.14 3kti s ILE 63 N 1.26 2.03 -0.37 2.71 1.01 0.83 -0.62 121.20 128.05 3kti s ILE 63 Ca 0.40 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 60.12 3kti s ILE 63 Cb -0.18 -1.81 0.15 0.00 0.01 0.00 0.00 42.46 40.63 3kti s ILE 63 CO 0.18 0.54 0.30 0.21 0.00 0.00 0.00 174.94 176.17 3kti s ASN 64 N 0.95 1.96 -0.09 3.58 2.47 -0.18 -0.77 114.94 122.85 3kti s ASN 64 Ca -0.04 -2.00 -0.17 0.00 0.42 0.00 0.00 52.86 51.07 3kti s ASN 64 Cb -0.15 0.06 0.04 0.00 -1.45 0.00 0.00 41.25 39.75 3kti s ASN 64 CO -0.05 -0.27 0.42 -0.55 -3.72 0.00 0.00 177.10 172.93 3kti s SER 65 N 1.13 -0.38 0.00 -4.21 0.15 0.12 -3.03 113.70 107.48 3kti s SER 65 Ca 0.19 0.55 0.30 0.00 0.70 0.00 0.00 55.95 57.69 3kti s SER 65 Cb -0.17 0.62 1.50 0.00 -1.71 0.00 0.00 66.02 66.26 3kti s SER 65 CO -0.02 -0.32 2.00 -0.81 1.20 0.00 0.00 173.24 175.29 3kti n PRO 66 N 2.00 1.15 0.00 5.44 -0.04 -1.26 -1.03 135.00 141.26 3kti n PRO 66 Ca -0.17 -0.36 0.00 0.00 -0.04 0.00 0.00 63.50 62.93 3kti n PRO 66 Cb 0.57 -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 1.11 -0.89 0.00 0.55 0.00 -1.06 -4.33 105.19 100.57 3kti n GLY 67 Ca 0.20 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.49 3.70 -0.02 0.00 -1.26 0.43 105.19 107.55 3kti n GLY 68 Ca 0.00 -0.62 -0.44 0.00 0.00 0.00 0.00 46.02 44.96 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 3.36 -0.13 1.61 2.88 0.14 -4.75 113.62 116.73 3kti n SER 69 Ca 0.00 1.11 -0.10 0.00 -1.33 0.00 0.00 58.87 58.55 3kti n SER 69 Cb 0.00 -1.50 -0.02 0.00 -0.75 0.00 0.00 64.21 61.95 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 3.41 1.23 -0.46 2.46 2.04 -1.97 -0.82 117.51 123.40 3kti h ILE 70 Ca -0.45 -0.79 -0.07 0.00 1.00 0.00 0.00 64.86 64.55 3kti h ILE 70 Cb 1.24 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 3kti h ILE 70 CO 0.84 0.27 0.03 0.71 0.00 0.00 0.00 178.15 179.99 3kti h THR 71 N 0.46 1.26 -0.91 -0.27 1.35 -1.99 0.67 112.91 113.47 3kti h THR 71 Ca 0.12 -1.00 0.02 0.00 -0.55 0.00 0.00 66.41 64.99 3kti h THR 71 Cb 0.32 1.01 -0.05 0.00 -1.73 0.00 0.00 68.15 67.70 3kti h THR 71 CO 0.00 0.35 0.60 0.00 -0.25 0.00 0.00 175.52 176.22 3kti h ALA 72 N 0.93 1.17 -0.45 6.62 0.00 -1.89 -1.06 119.26 124.58 3kti h ALA 72 Ca 0.13 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3kti h ALA 72 Cb 0.46 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3kti h ALA 72 CO 0.02 0.51 0.14 0.78 0.00 0.00 0.00 179.25 180.70 3kti h GLY 73 N 1.19 0.75 2.00 0.00 0.00 -0.69 -2.68 103.07 103.64 3kti h GLY 73 Ca 0.35 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 3kti h GLY 73 CO -0.09 0.41 -0.21 -0.33 0.00 0.00 0.00 176.54 176.32 3kti h MET 74 N 0.59 0.00 -0.65 4.80 2.86 -0.32 -0.96 114.93 121.26 3kti h MET 74 Ca 0.15 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.71 3kti h MET 74 Cb 0.26 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 3kti h MET 74 CO -0.01 0.21 0.11 0.00 1.06 0.00 0.00 176.91 178.28 3kti h ALA 75 N 1.79 0.86 -0.12 6.32 0.00 -0.88 0.30 119.26 127.53 3kti h ALA 75 Ca -0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3kti h ALA 75 Cb 0.40 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3kti h ALA 75 CO 0.03 0.62 -0.09 0.82 0.00 0.00 0.00 179.25 180.62 3kti h ILE 76 N 0.98 1.34 -0.15 0.00 2.04 -1.22 -2.37 117.51 118.14 3kti h ILE 76 Ca 0.20 -1.21 0.04 0.00 1.00 0.00 0.00 64.86 64.89 3kti h ILE 76 Cb 0.43 1.89 -0.04 0.00 -0.74 0.00 0.00 36.82 38.35 3kti h ILE 76 CO 0.01 0.35 -0.12 0.22 0.00 0.00 0.00 178.15 178.61 3kti h TYR 77 N -0.11 -0.29 -0.65 1.37 3.20 -0.97 -0.64 116.97 118.89 3kti h TYR 77 Ca 0.02 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 3kti h TYR 77 Cb 0.59 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.98 3kti h TYR 77 CO 0.08 -0.18 0.39 -0.44 -1.64 0.00 0.00 178.16 176.37 3kti h ASP 78 N -0.13 0.76 -0.32 -2.11 3.45 -0.42 -1.83 116.42 115.82 3kti h ASP 78 Ca 0.10 -0.04 -0.10 0.00 0.43 0.00 0.00 57.03 57.42 3kti h ASP 78 Cb 0.27 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.84 3kti h ASP 78 CO -0.23 0.59 -0.17 0.74 -1.57 0.00 0.00 179.24 178.60 3kti h THR 79 N 0.89 1.29 -0.78 0.35 2.02 -0.87 -1.18 112.91 114.63 3kti h THR 79 Ca 0.23 -1.29 0.06 0.00 0.77 0.00 0.00 66.41 66.19 3kti h THR 79 Cb -0.04 1.44 -0.05 0.00 -1.74 0.00 0.00 68.15 67.76 3kti h THR 79 CO -0.04 0.42 0.51 0.24 0.37 0.00 0.00 175.52 177.01 3kti h MET 80 N 0.45 0.82 -0.03 6.66 2.86 -0.66 -1.83 114.93 123.21 3kti h MET 80 Ca 0.07 -0.05 -0.20 0.00 -2.06 0.00 0.00 59.70 57.46 3kti h MET 80 Cb 0.71 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.18 3kti h MET 80 CO 0.05 0.55 -0.84 1.96 1.06 0.00 0.00 176.91 179.68 3kti h GLN 81 N 0.85 0.36 -0.17 1.72 1.08 -1.09 -3.34 115.11 114.52 3kti h GLN 81 Ca 0.33 -0.35 -0.08 0.00 -1.45 0.00 0.00 58.65 57.10 3kti h GLN 81 Cb 0.22 0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.74 3kti h GLN 81 CO -0.11 1.02 -0.19 0.35 -0.95 0.00 0.00 178.83 178.94 3kti h PHE 82 N 0.22 0.52 -4.06 2.96 3.57 -0.44 -3.45 116.94 116.26 3kti h PHE 82 Ca -0.05 -0.16 -0.53 0.00 3.53 0.00 0.00 57.97 60.75 3kti h PHE 82 Cb 1.45 -0.11 0.11 0.00 2.79 0.00 0.00 35.95 40.19 3kti h PHE 82 CO 0.05 0.82 0.52 0.96 -2.23 0.00 0.00 178.31 178.43 3kti s ILE 83 N -4.26 2.53 0.07 1.41 -4.36 -0.77 -4.95 121.20 110.87 3kti s ILE 83 Ca -0.14 0.37 -0.19 0.00 -0.26 0.00 0.00 60.65 60.43 3kti s ILE 83 Cb 0.06 -3.17 -0.10 0.00 1.25 0.00 0.00 42.46 40.50 3kti s ILE 83 CO 0.77 -0.04 1.51 0.11 0.24 0.00 0.00 174.94 177.53 3kti h LYS 84 N 1.32 0.38 -6.54 0.37 6.56 -1.88 -3.44 116.57 113.34 3kti h LYS 84 Ca -0.50 -0.12 -0.59 0.00 -1.06 0.00 0.00 60.65 58.37 3kti h LYS 84 Cb 1.29 -0.03 0.07 0.00 -0.57 0.00 0.00 32.23 32.99 3kti h LYS 84 CO 0.57 0.58 0.68 -2.30 -2.06 0.00 0.00 179.45 176.91 3kti n PRO 85 N -4.67 2.03 -2.44 3.15 -0.02 -1.21 -4.93 135.00 126.91 3kti n PRO 85 Ca -0.04 0.73 -0.41 0.00 -2.02 0.00 0.00 63.50 61.75 3kti n PRO 85 Cb 0.24 -2.43 -0.04 0.00 -0.02 0.00 0.00 33.50 31.25 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 0.18 4.53 -0.30 -0.52 -0.14 -1.26 -4.81 119.74 117.42 3kti s LYS 86 Ca 0.73 1.80 -0.08 0.00 -1.36 0.00 0.00 55.97 57.06 3kti s LYS 86 Cb -0.68 -3.27 0.01 0.00 -1.68 0.00 0.00 37.83 32.21 3kti s LYS 86 CO 0.45 -0.03 0.10 0.08 -0.76 0.00 0.00 175.35 175.19 3kti s VAL 87 N -0.04 4.11 0.37 3.17 1.01 -1.26 -1.27 120.40 126.49 3kti s VAL 87 Ca 0.52 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.72 3kti s VAL 87 Cb -0.31 -3.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.87 3kti s VAL 87 CO 0.35 0.04 0.73 -0.94 0.00 0.00 0.00 175.10 175.28 3kti s SER 88 N 1.52 6.56 -0.01 3.32 1.04 0.98 0.09 113.70 127.20 3kti s SER 88 Ca 0.03 1.10 0.04 0.00 0.48 0.00 0.00 55.95 57.59 3kti s SER 88 Cb -0.17 -2.30 -0.01 0.00 0.10 0.00 0.00 66.02 63.63 3kti s SER 88 CO 0.03 -0.33 -0.13 0.42 0.98 0.00 0.00 173.24 174.22 3kti s THR 89 N -2.24 1.03 -0.13 2.02 -4.23 -0.84 -0.51 115.64 110.74 3kti s THR 89 Ca 0.51 -0.55 -0.00 0.00 -1.18 0.00 0.00 61.69 60.46 3kti s THR 89 Cb -0.10 -0.86 0.03 0.00 1.34 0.00 0.00 72.50 72.90 3kti s THR 89 CO 0.28 0.29 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.93 3kti s ILE 90 N -0.28 1.26 -0.40 2.99 1.09 -0.57 0.47 121.20 125.76 3kti s ILE 90 Ca 0.05 -0.47 -0.24 0.00 -1.10 0.00 0.00 60.65 58.88 3kti s ILE 90 Cb -0.05 -1.25 0.02 0.00 -1.06 0.00 0.00 42.46 40.11 3kti s ILE 90 CO -0.00 0.37 0.85 0.00 -0.10 0.00 0.00 174.94 176.05 3kti s ILE 92 N 3.35 2.86 0.00 0.00 -4.36 0.05 -1.84 121.20 121.26 3kti s ILE 92 Ca 0.34 -0.71 0.00 0.00 -0.26 0.00 0.00 60.65 60.02 3kti s ILE 92 Cb -0.12 -2.22 0.00 0.00 1.25 0.00 0.00 42.46 41.37 3kti s ILE 92 CO 0.20 0.51 0.00 0.61 0.24 0.00 0.00 174.94 176.50 3kti n GLY 93 N 3.98 2.36 3.28 6.27 0.00 -1.26 -3.99 105.19 115.83 3kti n GLY 93 Ca -0.19 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 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 0.44 -0.33 1.61 -2.45 -1.26 -1.35 119.30 115.97 3kti s MET 94 Ca 0.00 0.60 0.00 0.00 -1.25 0.00 0.00 55.69 55.05 3kti s MET 94 Cb 0.00 0.17 0.10 0.00 1.25 0.00 0.00 34.83 36.35 3kti s MET 94 CO 0.00 -0.08 0.10 0.00 1.05 0.00 0.00 175.02 176.09 3kti s ALA 95 N 0.49 1.77 0.10 4.11 0.00 -0.22 0.16 121.76 128.17 3kti s ALA 95 Ca -0.02 -1.88 0.10 0.00 0.00 0.00 0.00 51.96 50.16 3kti s ALA 95 Cb -0.04 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.35 3kti s ALA 95 CO -0.03 -1.71 -0.26 0.00 0.00 0.00 0.00 175.76 173.77 3kti s ALA 96 N 1.40 2.37 0.00 0.00 0.00 -0.19 -1.51 121.76 123.83 3kti s ALA 96 Ca 0.11 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.68 3kti s ALA 96 Cb -0.18 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.49 3kti s ALA 96 CO -0.20 0.54 0.00 0.45 0.00 0.00 0.00 175.76 176.55 3kti n SER 97 N 1.18 0.00 0.28 0.00 2.88 0.12 -1.18 113.62 116.90 3kti n SER 97 Ca -0.17 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.51 3kti n SER 97 Cb 0.53 0.00 0.78 0.00 -0.75 0.00 0.00 64.21 64.77 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 -0.38 -1.46 2.86 -1.85 -0.90 114.93 113.20 3kti h MET 98 Ca 0.00 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.49 3kti h MET 98 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3kti h MET 98 CO 0.00 0.09 -0.35 0.78 1.06 0.00 0.00 176.91 178.49 3kti h GLY 99 N 1.00 0.94 1.65 8.32 0.00 -1.42 -0.20 103.07 113.36 3kti h GLY 99 Ca -0.00 -0.93 -0.11 0.00 0.00 0.00 0.00 47.33 46.29 3kti h GLY 99 CO 0.01 0.84 -0.38 0.00 0.00 0.00 0.00 176.54 177.01 3kti h ALA 100 N 0.88 1.02 -0.28 3.60 0.00 -1.28 -1.06 119.26 122.14 3kti h ALA 100 Ca 0.07 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3kti h ALA 100 Cb 0.92 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3kti h ALA 100 CO 0.08 0.60 0.08 0.35 0.00 0.00 0.00 179.25 180.37 3kti h PHE 101 N 0.33 0.46 -0.39 0.00 3.57 -0.73 -1.36 116.94 118.82 3kti h PHE 101 Ca 0.03 -0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 3kti h PHE 101 Cb 0.82 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 3kti h PHE 101 CO 0.02 0.50 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.44 3kti h LEU 102 N 0.29 0.66 0.13 0.59 3.38 -0.86 -1.81 115.31 117.69 3kti h LEU 102 Ca 0.09 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3kti h LEU 102 Cb 0.26 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3kti h LEU 102 CO -0.00 0.79 -0.06 0.25 0.09 0.00 0.00 178.44 179.51 3kti h LEU 103 N 0.62 -0.14 -0.80 1.67 5.85 -0.93 -2.09 115.31 119.49 3kti h LEU 103 Ca 0.11 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3kti h LEU 103 Cb 0.52 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.59 3kti h LEU 103 CO 0.03 -0.08 0.00 0.00 -0.34 0.00 0.00 178.44 178.05 3kti n ALA 104 N -2.17 1.49 1.55 1.25 0.00 -0.54 -1.99 120.51 120.10 3kti n ALA 104 Ca -0.08 0.10 0.14 0.00 0.00 0.00 0.00 53.44 53.59 3kti n ALA 104 Cb 0.10 -1.35 0.57 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.75 2.59 -1.27 0.00 0.00 -0.70 -4.85 120.51 114.53 3kti n ALA 105 Ca 0.01 -0.41 -0.33 0.00 0.00 0.00 0.00 53.44 52.72 3kti n ALA 105 Cb 0.17 -1.21 0.09 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.93 2.01 -0.14 0.00 0.00 -0.84 -4.86 107.32 101.56 3kti s GLY 106 Ca 0.38 0.58 -0.41 0.00 0.00 0.00 0.00 44.72 45.27 3kti s GLY 106 CO 0.33 0.95 1.39 -2.21 0.00 0.00 0.00 173.10 173.56 3kti n GLU 107 N -3.07 0.52 -1.67 2.90 4.07 0.11 -4.74 120.64 118.77 3kti n GLU 107 Ca 0.11 0.19 -0.50 0.00 -0.06 0.00 0.00 57.16 56.90 3kti n GLU 107 Cb 0.52 -1.76 -0.05 0.00 -0.06 0.00 0.00 31.44 30.08 3kti n GLU 107 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3kti n LYS 108 N 3.06 1.78 0.00 5.31 3.00 -1.26 0.59 118.16 130.64 3kti n LYS 108 Ca 0.23 0.65 0.00 0.00 -0.00 0.00 0.00 58.31 59.19 3kti n LYS 108 Cb 0.09 -2.41 0.00 0.00 0.00 0.00 0.00 35.03 32.71 3kti n LYS 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kti n GLY 109 N 3.80 1.92 1.07 3.14 0.00 -1.26 -4.88 105.19 108.98 3kti n GLY 109 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.23 3kti n GLY 109 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kti n LYS 110 N -2.00 2.19 -3.64 1.61 3.00 0.20 -4.82 118.16 114.70 3kti n LYS 110 Ca 0.00 -3.05 -0.38 0.00 -0.00 0.00 0.00 58.31 54.88 3kti n LYS 110 Cb 0.00 -1.83 -0.12 0.00 0.00 0.00 0.00 35.03 33.09 3kti n LYS 110 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 3kti s ARG 111 N -3.10 3.50 0.38 1.64 0.52 -1.23 -1.98 118.95 118.68 3kti s ARG 111 Ca 0.44 -0.61 0.08 0.00 -0.52 0.00 0.00 55.73 55.12 3kti s ARG 111 Cb 0.38 -3.57 -0.07 0.00 0.52 0.00 0.00 34.95 32.21 3kti s ARG 111 CO 0.03 -0.35 -0.02 0.71 0.02 0.00 0.00 175.30 175.70 3kti s TYR 112 N 1.65 2.49 -0.22 -0.53 1.51 0.18 0.41 117.35 122.83 3kti s TYR 112 Ca 0.05 -0.59 -0.18 0.00 -1.01 0.00 0.00 57.07 55.34 3kti s TYR 112 Cb -0.17 -1.64 0.06 0.00 -0.11 0.00 0.00 41.96 40.11 3kti s TYR 112 CO 0.07 0.48 0.56 0.00 -1.11 0.00 0.00 175.55 175.56 3kti s ALA 113 N -2.66 -1.42 0.73 3.71 0.00 -1.00 -0.60 121.76 120.52 3kti s ALA 113 Ca 0.34 1.70 -0.12 0.00 0.00 0.00 0.00 51.96 53.88 3kti s ALA 113 Cb 0.06 -0.99 0.04 0.00 0.00 0.00 0.00 23.12 22.23 3kti s ALA 113 CO 0.18 -0.28 1.10 -0.51 0.00 0.00 0.00 175.76 176.24 3kti s LEU 114 N 0.59 3.15 0.27 0.00 1.43 -0.77 -1.24 118.68 122.11 3kti s LEU 114 Ca -0.02 1.87 -0.01 0.00 -1.03 0.00 0.00 54.13 54.94 3kti s LEU 114 Cb -0.05 -4.53 0.60 0.00 0.03 0.00 0.00 46.19 42.25 3kti s LEU 114 CO -0.03 -1.89 1.66 -0.65 0.23 0.00 0.00 176.35 175.67 3kti h PRO 115 N -0.75 0.23 -0.45 1.29 0.11 -1.92 -1.88 132.00 128.64 3kti h PRO 115 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kti h PRO 115 Cb 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3kti h PRO 115 CO 0.52 0.15 0.00 0.09 -0.21 0.00 0.00 178.00 178.56 3kti n ASN 116 N -5.20 4.97 -4.66 -2.05 4.13 -1.26 -4.44 115.26 106.75 3kti n ASN 116 Ca 0.18 -2.94 -0.30 0.00 1.68 0.00 0.00 54.58 53.20 3kti n ASN 116 Cb 0.59 -0.62 0.16 0.00 -1.54 0.00 0.00 39.78 38.37 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 -1.25 2.92 0.01 6.41 0.01 -0.71 -4.83 113.70 116.26 3kti s SER 117 Ca 0.49 1.71 0.02 0.00 1.31 0.00 0.00 55.95 59.49 3kti s SER 117 Cb 0.38 -2.34 -0.01 0.00 0.21 0.00 0.00 66.02 64.26 3kti s SER 117 CO 0.13 -3.02 -0.07 -0.70 0.41 0.00 0.00 173.24 169.99 3kti s GLU 118 N -4.76 0.53 -0.04 12.44 2.12 -0.46 -3.23 118.70 125.30 3kti s GLU 118 Ca 0.65 -0.40 0.03 0.00 0.36 0.00 0.00 54.97 55.61 3kti s GLU 118 Cb -0.21 -0.45 0.01 0.00 0.26 0.00 0.00 34.13 33.74 3kti s GLU 118 CO 0.59 0.11 -0.11 0.08 -0.54 0.00 0.00 175.26 175.39 3kti s VAL 119 N -0.52 0.96 -0.03 3.70 1.01 -0.39 -1.06 120.40 124.07 3kti s VAL 119 Ca -0.01 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.56 3kti s VAL 119 Cb -0.05 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.48 3kti s VAL 119 CO 0.00 0.30 -0.07 -0.32 0.00 0.00 0.00 175.10 175.01 3kti s MET 120 N 0.36 0.87 0.10 2.72 0.00 -0.57 -0.03 119.30 122.75 3kti s MET 120 Ca -0.07 -0.24 0.08 0.00 0.00 0.00 0.00 55.69 55.46 3kti s MET 120 Cb -0.12 -0.83 -0.03 0.00 0.00 0.00 0.00 34.83 33.85 3kti s MET 120 CO 0.02 0.06 -0.20 0.96 0.00 0.00 0.00 175.02 175.85 3kti s ILE 121 N 0.36 1.63 0.00 10.11 -4.36 -0.84 -0.70 121.20 127.40 3kti s ILE 121 Ca -0.05 -1.51 0.00 0.00 -0.26 0.00 0.00 60.65 58.82 3kti s ILE 121 Cb -0.10 -1.49 0.00 0.00 1.25 0.00 0.00 42.46 42.12 3kti s ILE 121 CO 0.00 -0.09 0.00 0.00 0.24 0.00 0.00 174.94 175.10 3kti n HIS 122 N 1.10 -0.06 -3.71 1.37 1.44 -1.26 -1.02 115.22 113.08 3kti n HIS 122 Ca -0.20 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.31 3kti n HIS 122 Cb 0.54 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.62 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 0.78 2.95 0.65 -1.40 -2.07 -0.99 -4.88 119.66 114.69 3kti s GLN 123 Ca 0.00 -1.12 -0.18 0.00 -1.82 0.00 0.00 55.36 52.24 3kti s GLN 123 Cb 0.00 -2.65 -0.01 0.00 -1.09 0.00 0.00 33.01 29.26 3kti s GLN 123 CO 0.00 0.13 1.29 -2.14 -1.32 0.00 0.00 175.29 173.25 3kti s PRO 124 N -4.05 2.54 0.12 9.60 0.02 -1.26 -5.03 135.00 136.94 3kti s PRO 124 Ca 0.41 2.04 0.09 0.00 0.02 0.00 0.00 61.00 63.57 3kti s PRO 124 Cb -0.08 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.56 3kti s PRO 124 CO 0.28 -1.60 -0.19 -0.51 -0.33 0.00 0.00 177.00 174.65 3kti s LEU 125 N -4.39 2.65 0.00 -5.54 1.43 -1.26 -5.08 118.68 106.49 3kti s LEU 125 Ca 0.82 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 3kti s LEU 125 Cb -0.37 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.35 3kti s LEU 125 CO 0.40 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.77 3kti n GLY 126 N 0.82 1.19 3.40 -3.19 0.00 -1.26 -5.05 105.19 101.11 3kti n GLY 126 Ca -0.16 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 3kti n GLY 126 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kti s GLY 127 N -1.69 0.89 -0.29 -0.02 0.00 -1.26 -5.16 107.32 99.79 3kti s GLY 127 Ca 0.00 -1.21 -0.14 0.00 0.00 0.00 0.00 44.72 43.37 3kti s GLY 127 CO 0.00 -0.96 0.78 0.00 0.00 0.00 0.00 173.10 172.92 3kti s ALA 128 N -4.07 -2.16 -0.01 3.20 0.00 -1.26 -4.93 121.76 112.53 3kti s ALA 128 Ca 0.28 2.29 0.00 0.00 0.00 0.00 0.00 51.96 54.54 3kti s ALA 128 Cb 0.03 -1.72 0.01 0.00 0.00 0.00 0.00 23.12 21.44 3kti s ALA 128 CO 0.09 -0.68 0.01 -1.14 0.00 0.00 0.00 175.76 174.04 3kti s GLN 129 N 2.20 -0.01 0.00 0.00 -0.44 -1.26 -4.96 119.66 115.18 3kti s GLN 129 Ca -0.07 0.06 0.00 0.00 -2.50 0.00 0.00 55.36 52.85 3kti s GLN 129 Cb -0.07 -0.08 0.00 0.00 -1.64 0.00 0.00 33.01 31.22 3kti s GLN 129 CO -0.18 -0.05 0.00 0.41 0.50 0.00 0.00 175.29 175.96 3kti n GLY 130 N 3.43 0.67 3.75 2.59 0.00 -1.26 -4.81 105.19 109.56 3kti n GLY 130 Ca -0.17 -1.82 -0.31 0.00 0.00 0.00 0.00 46.02 43.72 3kti n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kti s GLN 131 N -1.40 2.03 0.27 1.61 -0.21 -1.26 -4.76 119.66 115.94 3kti s GLN 131 Ca 0.00 1.24 -0.00 0.00 0.02 0.00 0.00 55.36 56.62 3kti s GLN 131 Cb 0.00 -1.87 0.57 0.00 1.00 0.00 0.00 33.01 32.71 3kti s GLN 131 CO 0.00 -1.83 1.75 0.00 -2.12 0.00 0.00 175.29 173.09 3kti h ALA 132 N -1.26 1.30 -0.48 6.09 0.00 -1.99 0.35 119.26 123.27 3kti h ALA 132 Ca -0.43 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3kti h ALA 132 Cb 1.24 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 3kti h ALA 132 CO 0.49 -0.15 0.26 1.15 0.00 0.00 0.00 179.25 181.01 3kti h THR 133 N 0.57 1.15 -0.12 0.00 2.02 -1.99 -0.96 112.91 113.58 3kti h THR 133 Ca 0.48 -0.38 -0.19 0.00 0.77 0.00 0.00 66.41 67.09 3kti h THR 133 Cb 0.73 0.51 0.01 0.00 -1.74 0.00 0.00 68.15 67.66 3kti h THR 133 CO -0.40 0.16 -0.68 -0.33 0.37 0.00 0.00 175.52 174.65 3kti h GLU 134 N 0.66 0.67 -0.62 6.66 5.08 -1.32 -2.69 114.58 123.02 3kti h GLU 134 Ca 0.17 -0.56 -0.02 0.00 -1.00 0.00 0.00 59.36 57.95 3kti h GLU 134 Cb 0.02 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 3kti h GLU 134 CO -0.03 1.18 0.33 0.82 -1.00 0.00 0.00 179.01 180.31 3kti h ILE 135 N 0.35 1.20 -0.94 3.13 1.08 -0.90 -1.96 117.51 119.47 3kti h ILE 135 Ca -0.05 -0.54 0.02 0.00 -0.39 0.00 0.00 64.86 63.90 3kti h ILE 135 Cb 1.32 0.43 -0.05 0.00 -3.07 0.00 0.00 36.82 35.45 3kti h ILE 135 CO 0.14 0.23 0.62 -0.08 -0.69 0.00 0.00 178.15 178.37 3kti h GLU 136 N 0.84 1.21 -0.60 2.37 4.81 -1.18 0.50 114.58 122.54 3kti h GLU 136 Ca 0.22 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 3kti h GLU 136 Cb 0.07 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 3kti h GLU 136 CO -0.03 0.80 0.20 0.82 -0.73 0.00 0.00 179.01 180.06 3kti h ILE 137 N 1.25 1.24 -0.31 2.32 2.04 -1.09 -0.59 117.51 122.37 3kti h ILE 137 Ca 0.35 -0.81 -0.14 0.00 1.00 0.00 0.00 64.86 65.27 3kti h ILE 137 Cb -0.10 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3kti h ILE 137 CO -0.09 0.31 -0.37 0.00 0.00 0.00 0.00 178.15 178.00 3kti h ALA 138 N 1.06 0.77 -0.28 1.87 0.00 -0.82 -2.66 119.26 119.19 3kti h ALA 138 Ca 0.19 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 3kti h ALA 138 Cb 0.27 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3kti h ALA 138 CO -0.01 0.65 0.02 0.00 0.00 0.00 0.00 179.25 179.91 3kti h ALA 139 N 0.99 0.38 -0.85 0.00 0.00 -0.68 -1.90 119.26 117.21 3kti h ALA 139 Ca 0.06 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3kti h ALA 139 Cb 0.90 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 3kti h ALA 139 CO 0.08 0.10 0.43 0.87 0.00 0.00 0.00 179.25 180.73 3kti h LYS 140 N 0.29 1.20 -0.05 0.00 1.57 -1.10 -1.82 116.57 116.67 3kti h LYS 140 Ca 0.08 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3kti h LYS 140 Cb 0.39 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 3kti h LYS 140 CO 0.01 0.91 -0.01 -0.09 -0.57 0.00 0.00 179.45 179.70 3kti h ARG 141 N 1.20 0.10 -0.03 3.15 2.43 -1.39 -1.82 114.38 118.01 3kti h ARG 141 Ca 0.29 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.38 3kti h ARG 141 Cb 0.08 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3kti h ARG 141 CO -0.04 0.44 -0.21 0.97 -1.51 0.00 0.00 179.97 179.62 3kti h ILE 142 N -0.25 1.17 -0.25 1.20 2.10 -1.25 -1.14 117.51 119.09 3kti h ILE 142 Ca 0.01 -0.79 -0.20 0.00 1.08 0.00 0.00 64.86 64.97 3kti h ILE 142 Cb 0.41 1.38 0.00 0.00 -1.09 0.00 0.00 36.82 37.52 3kti h ILE 142 CO 0.01 0.23 -0.62 -0.07 -1.08 0.00 0.00 178.15 176.61 3kti h LEU 143 N 0.05 0.98 -0.77 2.19 3.38 -1.29 -1.74 115.31 118.11 3kti h LEU 143 Ca 0.01 -0.56 -0.04 0.00 0.09 0.00 0.00 57.88 57.38 3kti h LEU 143 Cb 0.40 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3kti h LEU 143 CO 0.03 1.37 0.33 -0.07 0.09 0.00 0.00 178.44 180.19 3kti h LEU 144 N 0.64 1.05 -0.60 1.67 3.38 -0.74 -1.95 115.31 118.76 3kti h LEU 144 Ca -0.01 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 3kti h LEU 144 Cb 1.24 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 3kti h LEU 144 CO 0.14 0.92 0.26 -0.07 0.09 0.00 0.00 178.44 179.78 3kti h LEU 145 N 1.11 0.81 -0.37 1.67 3.38 -1.14 -0.52 115.31 120.25 3kti h LEU 145 Ca 0.26 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.12 3kti h LEU 145 Cb 0.18 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3kti h LEU 145 CO -0.03 0.74 0.14 -0.09 0.09 0.00 0.00 178.44 179.30 3kti h ARG 146 N 0.83 0.30 -0.41 1.13 2.43 -0.92 0.57 114.38 118.31 3kti h ARG 146 Ca 0.20 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.33 3kti h ARG 146 Cb 0.16 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 3kti h ARG 146 CO -0.02 0.20 0.15 -0.44 -1.51 0.00 0.00 179.97 178.35 3kti h ASP 147 N 0.31 0.57 -0.36 -3.80 3.32 -1.07 -0.08 116.42 115.31 3kti h ASP 147 Ca 0.17 -0.18 0.02 0.00 0.02 0.00 0.00 57.03 57.05 3kti h ASP 147 Cb 0.13 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 3kti h ASP 147 CO -0.16 0.60 0.20 0.50 -1.72 0.00 0.00 179.24 178.66 3kti h LYS 148 N 0.51 0.40 -0.26 3.56 3.64 -0.63 0.91 116.57 124.70 3kti h LYS 148 Ca 0.13 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.41 3kti h LYS 148 Cb 0.21 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3kti h LYS 148 CO -0.01 0.26 -0.15 -0.07 -2.27 0.00 0.00 179.45 177.21 3kti h LEU 149 N 0.41 0.58 -0.97 5.20 3.38 -0.77 -2.79 115.31 120.36 3kti h LEU 149 Ca 0.14 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 3kti h LEU 149 Cb 0.02 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3kti h LEU 149 CO -0.08 0.88 0.34 0.78 0.09 0.00 0.00 178.44 180.45 3kti h ASN 150 N 0.29 0.98 -0.27 -0.43 2.35 -0.82 -0.77 115.58 116.90 3kti h ASN 150 Ca 0.05 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3kti h ASN 150 Cb 0.68 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 3kti h ASN 150 CO 0.04 0.84 0.18 0.11 -1.65 0.00 0.00 177.43 176.95 3kti h LYS 151 N 1.06 0.35 -0.45 0.81 1.57 -0.77 -1.06 116.57 118.09 3kti h LYS 151 Ca 0.26 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 3kti h LYS 151 Cb 0.14 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3kti h LYS 151 CO -0.03 0.23 0.16 0.28 -0.57 0.00 0.00 179.45 179.53 3kti h VAL 152 N 0.36 1.21 -0.48 0.50 2.07 -1.20 -2.64 116.25 116.08 3kti h VAL 152 Ca 0.10 -0.68 0.05 0.00 0.82 0.00 0.00 66.70 66.99 3kti h VAL 152 Cb -0.03 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 3kti h VAL 152 CO -0.03 0.25 0.32 -0.07 0.02 0.00 0.00 177.57 178.06 3kti h LEU 153 N 0.59 0.39 -0.53 2.57 3.38 -0.81 -0.07 115.31 120.84 3kti h LEU 153 Ca 0.15 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.96 3kti h LEU 153 Cb 0.23 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3kti h LEU 153 CO -0.01 0.26 -0.62 0.00 0.09 0.00 0.00 178.44 178.16 3kti h ALA 154 N 1.74 0.71 -0.17 1.53 0.00 -0.92 -1.51 119.26 120.64 3kti h ALA 154 Ca 0.20 -0.55 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 3kti h ALA 154 Cb 0.23 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3kti h ALA 154 CO -0.05 0.72 -0.17 0.93 0.00 0.00 0.00 179.25 180.67 3kti h GLU 155 N 0.31 0.42 -0.17 0.00 5.08 -0.90 0.37 114.58 119.68 3kti h GLU 155 Ca -0.01 -0.22 -0.11 0.00 -1.00 0.00 0.00 59.36 58.02 3kti h GLU 155 Cb 1.16 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 3kti h GLU 155 CO 0.11 0.79 -0.36 0.00 -1.00 0.00 0.00 179.01 178.55 3kti h ARG 156 N 0.07 0.36 0.00 2.33 2.47 -1.05 -3.22 114.38 115.33 3kti h ARG 156 Ca 0.03 -0.16 -0.03 0.00 -1.26 0.00 0.00 59.98 58.56 3kti h ARG 156 Cb 0.71 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.02 3kti h ARG 156 CO 0.04 0.67 -1.62 0.25 0.56 0.00 0.00 179.97 179.87 3kti n THR 157 N -4.06 0.39 -0.85 2.04 -2.24 -0.57 -4.82 114.28 104.17 3kti n THR 157 Ca -0.01 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 3kti n THR 157 Cb 0.46 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 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 1.27 0.62 3.78 3.38 0.00 0.09 -4.49 105.19 109.84 3kti n GLY 158 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 3kti n GLY 158 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kti s GLN 159 N -0.15 4.42 0.45 1.61 2.00 -1.04 -5.01 119.66 121.93 3kti s GLN 159 Ca 0.00 0.97 -0.25 0.00 -2.00 0.00 0.00 55.36 54.09 3kti s GLN 159 Cb 0.00 -3.27 -0.08 0.00 0.80 0.00 0.00 33.01 30.46 3kti s GLN 159 CO 0.00 0.55 1.34 -1.25 -0.50 0.00 0.00 175.29 175.43 3kti s PRO 160 N -0.93 3.68 0.26 1.67 0.04 -1.26 -4.45 135.00 134.01 3kti s PRO 160 Ca 0.33 2.22 -0.03 0.00 0.04 0.00 0.00 61.00 63.56 3kti s PRO 160 Cb -0.21 -2.58 0.55 0.00 0.04 0.00 0.00 34.50 32.30 3kti s PRO 160 CO 0.23 -0.75 1.65 1.25 0.04 0.00 0.00 177.00 179.42 3kti h LEU 161 N 2.25 -0.14 -1.56 -3.56 5.85 -1.92 0.22 115.31 116.45 3kti h LEU 161 Ca -0.50 0.19 0.13 0.00 0.84 0.00 0.00 57.88 58.53 3kti h LEU 161 Cb 1.26 0.28 -0.05 0.00 0.37 0.00 0.00 40.66 42.53 3kti h LEU 161 CO 0.61 -0.14 0.48 -0.08 -0.34 0.00 0.00 178.44 178.96 3kti h GLU 162 N 0.18 0.45 -0.08 1.25 4.81 -1.99 -0.65 114.58 118.55 3kti h GLU 162 Ca 0.47 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.53 3kti h GLU 162 Cb 0.88 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 30.16 3kti h GLU 162 CO -0.63 0.30 -0.50 0.28 -0.73 0.00 0.00 179.01 177.73 3kti h VAL 163 N 0.46 1.39 -0.86 0.32 2.07 -0.93 -2.66 116.25 116.04 3kti h VAL 163 Ca 0.34 -1.86 0.05 0.00 0.82 0.00 0.00 66.70 66.06 3kti h VAL 163 Cb 0.70 2.29 -0.06 0.00 -1.52 0.00 0.00 31.29 32.70 3kti h VAL 163 CO -0.11 0.55 0.54 0.40 0.02 0.00 0.00 177.57 178.97 3kti h ILE 164 N 0.04 1.08 -0.28 4.57 1.08 -0.81 0.17 117.51 123.35 3kti h ILE 164 Ca -0.04 -0.35 -0.02 0.00 -0.39 0.00 0.00 64.86 64.06 3kti h ILE 164 Cb 1.15 -0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 34.87 3kti h ILE 164 CO 0.10 0.18 0.09 -0.33 -0.69 0.00 0.00 178.15 177.51 3kti h GLU 165 N 1.01 0.44 -0.40 2.37 5.08 -1.15 -1.58 114.58 120.34 3kti h GLU 165 Ca 0.36 -0.09 -0.15 0.00 -1.00 0.00 0.00 59.36 58.48 3kti h GLU 165 Cb 0.11 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3kti h GLU 165 CO -0.15 0.49 -0.34 -0.09 -1.00 0.00 0.00 179.01 177.91 3kti h ARG 166 N 0.30 0.94 0.00 2.33 2.43 -1.15 -3.11 114.38 116.11 3kti h ARG 166 Ca 0.09 -0.47 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 3kti h ARG 166 Cb 0.23 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3kti h ARG 166 CO -0.00 1.13 0.00 -0.44 -1.51 0.00 0.00 179.97 179.15 3kti h ASP 167 N 0.76 0.00 -0.43 -3.80 3.32 -0.59 -3.03 116.42 112.65 3kti h ASP 167 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3kti h ASP 167 Cb 0.93 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.48 3kti h ASP 167 CO 0.09 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.96 3kti n THR 168 N -2.69 0.67 -0.22 0.35 -2.24 -0.60 -4.56 114.28 104.99 3kti n THR 168 Ca 0.03 -0.84 0.02 0.00 -2.27 0.00 0.00 64.05 60.99 3kti n THR 168 Cb 0.35 0.80 0.14 0.00 -2.10 0.00 0.00 70.33 69.52 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 3.72 0.16 -3.64 3.42 -0.00 -1.46 -2.64 116.42 115.99 3kti h ASP 169 Ca 0.00 0.10 -0.42 0.00 -0.00 0.00 0.00 57.03 56.71 3kti h ASP 169 Cb 0.89 0.10 -0.14 0.00 -0.00 0.00 0.00 39.33 40.18 3kti h ASP 169 CO 0.00 0.08 -0.63 -0.13 -0.00 0.00 0.00 179.24 178.55 3kti s ARG 170 N -6.07 1.49 -0.24 0.28 0.52 -1.26 -4.67 118.95 108.99 3kti s ARG 170 Ca -0.13 -1.79 -0.39 0.00 -0.52 0.00 0.00 55.73 52.90 3kti s ARG 170 Cb 0.19 -0.71 -0.15 0.00 0.52 0.00 0.00 34.95 34.79 3kti s ARG 170 CO 0.75 -0.15 1.75 -0.25 0.02 0.00 0.00 175.30 177.42 3kti n ASP 171 N -0.54 2.50 -4.02 0.23 8.00 -1.26 -4.63 116.55 116.83 3kti n ASP 171 Ca -0.03 1.06 -0.32 0.00 0.71 0.00 0.00 54.79 56.22 3kti n ASP 171 Cb 0.65 -1.17 -0.14 0.00 -0.02 0.00 0.00 41.12 40.44 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 3.51 4.72 0.07 -2.24 3.04 -0.19 -5.00 114.94 118.85 3kti s ASN 172 Ca 0.97 -2.42 -0.23 0.00 0.04 0.00 0.00 52.86 51.22 3kti s ASN 172 Cb -1.02 -1.67 -0.06 0.00 -1.54 0.00 0.00 41.25 36.96 3kti s ASN 172 CO 0.63 -0.36 0.71 -0.36 -3.04 0.00 0.00 177.10 174.69 3kti s PHE 173 N 0.54 3.79 0.02 0.43 0.08 -1.26 -1.98 117.98 119.60 3kti s PHE 173 Ca 0.13 1.44 0.02 0.00 0.12 0.00 0.00 56.93 58.64 3kti s PHE 173 Cb -0.21 -2.72 -0.01 0.00 -0.57 0.00 0.00 43.02 39.50 3kti s PHE 173 CO -0.05 0.40 -0.07 0.15 -0.10 0.00 0.00 175.22 175.55 3kti s LYS 174 N -0.54 0.54 0.90 0.44 1.02 0.96 -5.00 119.74 118.06 3kti s LYS 174 Ca 0.35 -0.50 -0.14 0.00 0.02 0.00 0.00 55.97 55.70 3kti s LYS 174 Cb -0.21 -0.43 0.15 0.00 -0.52 0.00 0.00 37.83 36.82 3kti s LYS 174 CO 0.22 0.10 1.24 -1.54 -0.92 0.00 0.00 175.35 174.45 3kti s SER 175 N -0.85 3.66 0.26 2.83 1.04 -1.26 -1.26 113.70 118.12 3kti s SER 175 Ca -0.03 0.56 -0.05 0.00 0.48 0.00 0.00 55.95 56.91 3kti s SER 175 Cb -0.06 -0.84 0.30 0.00 0.10 0.00 0.00 66.02 65.52 3kti s SER 175 CO 0.00 -2.42 1.92 0.00 0.98 0.00 0.00 173.24 173.73 3kti h ALA 176 N -1.42 1.31 0.15 5.32 0.00 -1.76 -0.85 119.26 122.01 3kti h ALA 176 Ca -0.46 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3kti h ALA 176 Cb 1.29 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3kti h ALA 176 CO 0.52 0.62 -0.12 0.93 0.00 0.00 0.00 179.25 181.20 3kti h GLU 177 N 1.32 -0.27 -0.53 0.00 3.07 -1.92 -1.66 114.58 114.59 3kti h GLU 177 Ca 0.38 0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 59.21 3kti h GLU 177 Cb -0.09 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 3kti h GLU 177 CO -0.10 -0.18 0.12 0.93 -1.40 0.00 0.00 179.01 178.38 3kti h GLU 178 N -0.28 0.82 -0.44 2.33 5.08 -1.84 -1.25 114.58 119.00 3kti h GLU 178 Ca -0.00 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 3kti h GLU 178 Cb 0.25 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 3kti h GLU 178 CO -0.01 0.74 0.12 0.00 -1.00 0.00 0.00 179.01 178.85 3kti h ALA 179 N 1.35 1.38 -0.09 3.43 0.00 -0.93 0.13 119.26 124.52 3kti h ALA 179 Ca 0.17 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3kti h ALA 179 Cb 0.30 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3kti h ALA 179 CO -0.00 0.45 -0.09 1.25 0.00 0.00 0.00 179.25 180.86 3kti h LEU 180 N 0.64 0.23 -1.42 0.00 5.85 -0.73 0.50 115.31 120.37 3kti h LEU 180 Ca 0.15 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.39 3kti h LEU 180 Cb 0.23 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3kti h LEU 180 CO -0.00 0.66 0.35 -0.08 -0.34 0.00 0.00 178.44 179.03 3kti h GLU 181 N -0.20 0.74 0.00 1.25 4.57 -0.80 -2.17 114.58 117.98 3kti h GLU 181 Ca 0.01 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 3kti h GLU 181 Cb 0.60 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.02 3kti h GLU 181 CO 0.02 0.50 -0.11 -0.92 -1.18 0.00 0.00 179.01 177.32 3kti h TYR 182 N 0.76 0.00 0.00 0.92 3.20 -0.68 -3.47 116.97 117.70 3kti h TYR 182 Ca 0.20 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.07 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 0.00 0.11 0.00 0.41 -1.64 0.00 0.00 178.16 177.05 3kti n GLY 183 N 0.68 0.89 0.07 1.82 0.00 -0.81 -4.72 105.19 103.13 3kti n GLY 183 Ca 0.02 -0.18 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 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 -8.77 0.99 3.38 -1.15 -3.34 115.31 106.42 3kti h LEU 184 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 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 0.95 -0.68 0.27 0.09 0.00 0.00 178.44 179.07 3kti s ILE 185 N -2.69 1.02 -0.25 1.22 -4.36 -1.19 -4.00 121.20 110.94 3kti s ILE 185 Ca -0.01 -2.03 0.02 0.00 -0.26 0.00 0.00 60.65 58.37 3kti s ILE 185 Cb 0.09 -2.14 -0.18 0.00 1.25 0.00 0.00 42.46 41.48 3kti s ILE 185 CO 0.82 -0.49 -0.18 0.47 0.24 0.00 0.00 174.94 175.79 3kti n ASP 186 N -0.31 1.88 -3.95 4.36 8.00 0.16 -4.55 116.55 122.14 3kti n ASP 186 Ca -0.07 -0.11 -0.09 0.00 0.71 0.00 0.00 54.79 55.22 3kti n ASP 186 Cb 0.63 -0.36 -0.10 0.00 -0.02 0.00 0.00 41.12 41.27 3kti n ASP 186 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3kti s LYS 187 N -2.52 0.51 -0.25 -1.24 1.02 -0.71 -5.01 119.74 111.53 3kti s LYS 187 Ca -0.33 -0.70 -0.06 0.00 0.02 0.00 0.00 55.97 54.90 3kti s LYS 187 Cb 0.09 0.19 -0.02 0.00 -0.52 0.00 0.00 37.83 37.57 3kti s LYS 187 CO 0.62 -0.11 0.04 0.42 -0.92 0.00 0.00 175.35 175.39 3kti s ILE 188 N -2.25 3.97 0.67 2.17 1.01 -1.26 -2.38 121.20 123.13 3kti s ILE 188 Ca -0.08 -0.34 -0.16 0.00 0.00 0.00 0.00 60.65 60.07 3kti s ILE 188 Cb -0.04 -2.87 0.01 0.00 0.01 0.00 0.00 42.46 39.57 3kti s ILE 188 CO -0.03 0.33 1.16 -0.76 0.00 0.00 0.00 174.94 175.64 3kti s LEU 189 N 1.56 3.41 0.00 2.97 1.43 -0.37 -4.93 118.68 122.74 3kti s LEU 189 Ca 0.06 2.19 0.00 0.00 -1.03 0.00 0.00 54.13 55.35 3kti s LEU 189 Cb -0.15 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.50 3kti s LEU 189 CO 0.01 -1.86 0.00 0.35 0.23 0.00 0.00 176.35 175.08 3kti n THR 190 N -2.39 0.00 0.32 5.49 -2.24 -1.26 -3.59 114.28 110.60 3kti n THR 190 Ca 0.12 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.94 3kti n THR 190 Cb 0.51 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.77 3kti n THR 190 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50