#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hjk n ASP 46 N 0.00 7.48 -0.16 7.72 2.03 -1.26 -4.75 116.55 127.60 3hjk n ASP 46 Ca 0.00 -2.85 -0.03 0.00 0.52 0.00 0.00 54.79 52.42 3hjk n ASP 46 Cb 0.00 -1.50 0.06 0.00 -0.72 0.00 0.00 41.12 38.96 3hjk n ASP 46 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3hjk h ILE 47 N 3.08 0.88 -0.37 5.18 1.08 -2.05 0.74 117.51 126.05 3hjk h ILE 47 Ca 0.73 -0.14 -0.04 0.00 -0.39 0.00 0.00 64.86 65.02 3hjk h ILE 47 Cb 0.37 0.43 -0.02 0.00 -3.07 0.00 0.00 36.82 34.54 3hjk h ILE 47 CO 1.68 0.07 0.09 0.24 -0.69 0.00 0.00 178.15 179.55 3hjk h MET 48 N 0.41 0.59 -1.00 2.37 2.86 -2.00 -0.64 114.93 117.52 3hjk h MET 48 Ca 0.24 -0.14 0.10 0.00 -2.06 0.00 0.00 59.70 57.83 3hjk h MET 48 Cb 0.21 -0.08 -0.08 0.00 0.06 0.00 0.00 31.60 31.72 3hjk h MET 48 CO -0.21 0.63 0.64 0.78 1.06 0.00 0.00 176.91 179.80 3hjk h GLY 49 N 0.45 1.60 1.65 8.32 0.00 -1.79 -1.30 103.07 112.00 3hjk h GLY 49 Ca 0.12 -0.45 -0.15 0.00 0.00 0.00 0.00 47.33 46.85 3hjk h GLY 49 CO 0.00 0.23 -0.58 -0.97 0.00 0.00 0.00 176.54 175.22 3hjk h TYR 50 N 1.07 0.47 -0.52 5.60 0.05 -0.33 -0.85 116.97 122.45 3hjk h TYR 50 Ca 0.47 -0.17 -0.10 0.00 0.05 0.00 0.00 58.73 58.98 3hjk h TYR 50 Cb 0.36 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.00 3hjk h TYR 50 CO -0.00 0.86 -0.07 -0.07 -1.05 0.00 0.00 178.16 177.83 3hjk h LEU 51 N 0.28 0.97 -0.32 3.88 3.38 -0.42 0.17 115.31 123.25 3hjk h LEU 51 Ca -0.00 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 3hjk h LEU 51 Cb 1.10 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3hjk h LEU 51 CO 0.10 1.08 0.12 0.40 0.09 0.00 0.00 178.44 180.22 3hjk h ILE 52 N 0.84 1.19 -0.16 1.22 2.04 -1.16 0.13 117.51 121.60 3hjk h ILE 52 Ca 0.14 -0.58 0.04 0.00 1.00 0.00 0.00 64.86 65.46 3hjk h ILE 52 Cb 0.62 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 3hjk h ILE 52 CO 0.04 0.20 -0.09 -0.61 0.00 0.00 0.00 178.15 177.69 3hjk h GLN 53 N 0.36 -0.07 -0.72 2.37 4.15 -0.78 0.72 115.11 121.14 3hjk h GLN 53 Ca 0.11 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.58 3hjk h GLN 53 Cb 0.20 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.85 3hjk h GLN 53 CO -0.01 -0.05 0.44 0.82 -1.93 0.00 0.00 178.83 178.10 3hjk h ILE 54 N -0.07 1.04 0.00 2.39 2.04 -0.39 -1.18 117.51 121.33 3hjk h ILE 54 Ca 0.09 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 3hjk h ILE 54 Cb 0.21 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.43 3hjk h ILE 54 CO -0.21 0.15 -0.10 0.24 0.00 0.00 0.00 178.15 178.23 3hjk h MET 55 N 0.83 0.00 -0.57 2.37 2.86 0.06 -2.99 114.93 117.48 3hjk h MET 55 Ca 0.31 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 3hjk h MET 55 Cb 0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.77 3hjk h MET 55 CO -0.15 0.10 0.00 0.09 1.06 0.00 0.00 176.91 178.02 3hjk n ASN 56 N -3.24 4.05 -4.69 1.22 3.02 0.17 -4.98 115.26 110.81 3hjk n ASN 56 Ca 0.00 -2.27 -0.42 0.00 -0.03 0.00 0.00 54.58 51.86 3hjk n ASN 56 Cb 0.36 -0.47 -0.03 0.00 -0.61 0.00 0.00 39.78 39.03 3hjk n ASN 56 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hjk s ARG 57 N -1.50 4.30 0.34 3.52 1.70 -0.53 -4.94 118.95 121.83 3hjk s ARG 57 Ca 0.44 1.89 0.06 0.00 -0.47 0.00 0.00 55.73 57.64 3hjk s ARG 57 Cb 0.26 -3.56 0.71 0.00 -0.57 0.00 0.00 34.95 31.80 3hjk s ARG 57 CO 0.24 -0.53 1.89 -1.00 -1.08 0.00 0.00 175.30 174.82 3hjk h PRO 58 N 7.69 0.79 -2.18 3.89 0.13 -1.92 -3.32 132.00 137.08 3hjk h PRO 58 Ca -0.37 -0.05 -0.58 0.00 -0.87 0.00 0.00 66.00 64.13 3hjk h PRO 58 Cb 1.18 -0.18 -0.41 0.00 0.13 0.00 0.00 31.00 31.71 3hjk h PRO 58 CO 0.89 0.52 -0.73 0.09 -0.23 0.00 0.00 178.00 178.54 3hjk n ASN 59 N -4.53 3.25 -4.70 1.44 3.02 -1.26 -5.08 115.26 107.40 3hjk n ASN 59 Ca 0.15 -3.38 -0.42 0.00 -0.03 0.00 0.00 54.58 50.90 3hjk n ASN 59 Cb 0.35 -0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 38.86 3hjk n ASN 59 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3hjk s PRO 60 N -2.63 4.19 0.00 3.52 0.04 -1.25 -4.87 135.00 134.00 3hjk s PRO 60 Ca 0.42 2.38 0.25 0.00 0.04 0.00 0.00 61.00 64.10 3hjk s PRO 60 Cb 0.21 -3.42 0.50 0.00 0.04 0.00 0.00 34.50 31.84 3hjk s PRO 60 CO -0.07 -0.70 1.41 1.04 0.04 0.00 0.00 177.00 178.72 3hjk n GLN 61 N 4.95 1.12 -3.73 4.56 1.13 -1.26 -4.83 117.38 119.33 3hjk n GLN 61 Ca 0.15 -0.78 -0.12 0.00 -1.94 0.00 0.00 57.00 54.31 3hjk n GLN 61 Cb 0.39 -1.48 -0.12 0.00 0.11 0.00 0.00 30.24 29.14 3hjk n GLN 61 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3hjk s VAL 62 N -2.42 -0.03 -0.04 5.09 1.01 -1.26 -5.04 120.40 117.71 3hjk s VAL 62 Ca 0.24 0.10 -0.26 0.00 0.00 0.00 0.00 61.98 62.06 3hjk s VAL 62 Cb 0.19 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 36.11 3hjk s VAL 62 CO 0.51 0.04 0.83 -1.61 0.00 0.00 0.00 175.10 174.87 3hjk s GLU 63 N 1.03 4.48 -0.05 2.72 8.01 -1.26 -4.88 118.70 128.75 3hjk s GLU 63 Ca -0.07 1.12 0.04 0.00 0.01 0.00 0.00 54.97 56.07 3hjk s GLU 63 Cb -0.08 -3.46 -0.06 0.00 -4.31 0.00 0.00 34.13 26.22 3hjk s GLU 63 CO -0.07 -0.00 0.01 -0.11 0.01 0.00 0.00 175.26 175.10 3hjk n LEU 64 N 3.90 0.20 0.00 1.80 7.94 -1.26 -5.13 117.00 124.46 3hjk n LEU 64 Ca 0.02 -0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 3hjk n LEU 64 Cb 0.51 0.10 0.00 0.00 0.53 0.00 0.00 43.42 44.56 3hjk n LEU 64 CO 0.49 0.16 0.00 0.61 -1.11 0.00 0.00 177.39 177.54 3hjk n GLY 65 N 2.71 -1.95 3.77 -3.96 0.00 -1.26 -4.82 105.19 99.68 3hjk n GLY 65 Ca -0.09 -1.38 -0.37 0.00 0.00 0.00 0.00 46.02 44.18 3hjk n GLY 65 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hjk s PRO 66 N 0.00 3.72 0.05 1.61 0.04 -1.26 -4.97 135.00 134.19 3hjk s PRO 66 Ca 0.00 1.84 -0.03 0.00 0.04 0.00 0.00 61.00 62.85 3hjk s PRO 66 Cb 0.00 -2.42 -0.02 0.00 0.04 0.00 0.00 34.50 32.09 3hjk s PRO 66 CO 0.00 -0.60 0.04 0.14 0.04 0.00 0.00 177.00 176.62 3hjk s VAL 67 N -1.50 0.18 0.09 -0.36 -7.23 -1.26 -5.17 120.40 105.15 3hjk s VAL 67 Ca 0.64 -1.47 -0.02 0.00 -1.81 0.00 0.00 61.98 59.32 3hjk s VAL 67 Cb -0.30 -1.25 0.01 0.00 0.56 0.00 0.00 36.38 35.39 3hjk s VAL 67 CO 0.37 -0.81 0.16 -0.90 -0.31 0.00 0.00 175.10 173.61 3hjk n ASP 68 N 0.34 -0.46 0.00 4.85 5.68 -1.26 -4.96 116.55 120.73 3hjk n ASP 68 Ca -0.16 -1.43 0.12 0.00 -0.50 0.00 0.00 54.79 52.82 3hjk n ASP 68 Cb 0.60 0.80 0.66 0.00 -1.14 0.00 0.00 41.12 42.04 3hjk n ASP 68 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3hjk n THR 69 N -0.14 0.16 0.97 2.12 -2.24 -1.26 -3.22 114.28 110.67 3hjk n THR 69 Ca -0.01 0.04 0.13 0.00 -2.27 0.00 0.00 64.05 61.94 3hjk n THR 69 Cb 0.15 -0.63 0.58 0.00 -2.10 0.00 0.00 70.33 68.33 3hjk n THR 69 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3hjk n SER 70 N -1.23 0.00 -5.00 3.42 3.41 -1.26 -4.77 113.62 108.19 3hjk n SER 70 Ca 0.13 0.40 -0.18 0.00 -0.26 0.00 0.00 58.87 58.96 3hjk n SER 70 Cb 0.18 -0.46 0.02 0.00 -0.26 0.00 0.00 64.21 63.68 3hjk n SER 70 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hjk s ALA 72 N -2.45 3.49 0.12 0.00 0.00 -1.26 -4.40 121.76 117.26 3hjk s ALA 72 Ca 0.55 -0.06 -0.11 0.00 0.00 0.00 0.00 51.96 52.34 3hjk s ALA 72 Cb -0.10 -3.68 0.01 0.00 0.00 0.00 0.00 23.12 19.35 3hjk s ALA 72 CO 0.34 -1.49 0.28 -0.48 0.00 0.00 0.00 175.76 174.41 3hjk s LEU 73 N 3.67 1.01 0.06 0.00 0.05 -1.26 -1.10 118.68 121.10 3hjk s LEU 73 Ca 0.46 -0.59 -0.06 0.00 0.05 0.00 0.00 54.13 53.98 3hjk s LEU 73 Cb -0.12 1.33 -0.01 0.00 -2.05 0.00 0.00 46.19 45.34 3hjk s LEU 73 CO 0.15 -0.81 0.12 0.68 -0.55 0.00 0.00 176.35 175.95 3hjk s VAL 74 N -3.87 0.15 -0.12 1.48 -7.23 -0.16 -0.86 120.40 109.79 3hjk s VAL 74 Ca 0.07 -1.20 0.02 0.00 -1.81 0.00 0.00 61.98 59.06 3hjk s VAL 74 Cb 0.04 -1.13 0.01 0.00 0.56 0.00 0.00 36.38 35.86 3hjk s VAL 74 CO -0.09 -0.66 -0.19 -0.22 -0.31 0.00 0.00 175.10 173.62 3hjk s LEU 75 N -2.47 1.95 0.05 1.32 2.96 0.72 -0.46 118.68 122.77 3hjk s LEU 75 Ca -0.00 -0.53 0.05 0.00 -0.22 0.00 0.00 54.13 53.44 3hjk s LEU 75 Cb 0.02 -1.29 -0.04 0.00 0.50 0.00 0.00 46.19 45.38 3hjk s LEU 75 CO -0.07 0.06 -0.09 0.00 -1.32 0.00 0.00 176.35 174.93 3hjk s ASP 77 N -1.77 6.29 0.55 0.00 -1.08 -0.30 -1.98 116.67 118.39 3hjk s ASP 77 Ca 0.19 -0.51 0.35 0.00 -0.52 0.00 0.00 52.55 52.06 3hjk s ASP 77 Cb -0.11 -2.31 1.55 0.00 -1.46 0.00 0.00 42.92 40.59 3hjk s ASP 77 CO 0.10 -0.81 2.04 -0.07 0.52 0.00 0.00 175.17 176.95 3hjk h LEU 78 N 9.70 0.00 -2.97 -1.34 3.38 -1.27 -2.90 115.31 119.91 3hjk h LEU 78 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3hjk h LEU 78 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3hjk h LEU 78 CO 0.91 0.00 0.00 0.29 0.09 0.00 0.00 178.44 179.73 3hjk n LYS 79 N -3.02 3.42 -4.40 1.13 4.01 -1.25 -4.82 118.16 113.22 3hjk n LYS 79 Ca -0.00 -2.80 -0.26 0.00 -0.51 0.00 0.00 58.31 54.74 3hjk n LYS 79 Cb 0.25 -1.80 -0.11 0.00 -0.51 0.00 0.00 35.03 32.87 3hjk n LYS 79 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 3hjk s GLN 80 N -1.59 1.68 -0.10 1.97 -0.21 -1.09 -5.08 119.66 115.24 3hjk s GLN 80 Ca 0.51 -1.52 -0.37 0.00 0.02 0.00 0.00 55.36 54.00 3hjk s GLN 80 Cb 0.31 -1.90 -0.14 0.00 1.00 0.00 0.00 33.01 32.27 3hjk s GLN 80 CO 0.28 0.39 1.70 1.17 -2.12 0.00 0.00 175.29 176.71 3hjk n LYS 81 N 0.00 1.61 -2.31 2.91 3.00 -1.26 -2.16 118.16 119.95 3hjk n LYS 81 Ca -0.10 0.59 -0.18 0.00 -0.00 0.00 0.00 58.31 58.61 3hjk n LYS 81 Cb 0.57 -2.33 -0.01 0.00 0.00 0.00 0.00 35.03 33.26 3hjk n LYS 81 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 3hjk n ASP 82 N 5.06 -5.22 -3.63 3.14 2.03 -1.26 -4.02 116.55 112.66 3hjk n ASP 82 Ca 0.23 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.31 3hjk n ASP 82 Cb 0.21 -4.29 0.00 0.00 -0.72 0.00 0.00 41.12 36.32 3hjk n ASP 82 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 3hjk n THR 83 N -3.95 -2.62 -2.49 5.18 5.66 -0.92 -4.46 114.28 110.68 3hjk n THR 83 Ca -0.21 -0.05 -0.38 0.00 -3.05 0.00 0.00 64.05 60.35 3hjk n THR 83 Cb 0.66 -2.33 -0.04 0.00 -1.55 0.00 0.00 70.33 67.07 3hjk n THR 83 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 3hjk s PRO 84 N -4.72 4.37 0.03 1.09 0.04 -1.25 -4.53 135.00 130.04 3hjk s PRO 84 Ca 0.04 1.67 -0.30 0.00 0.04 0.00 0.00 61.00 62.45 3hjk s PRO 84 Cb -0.02 -2.85 -0.07 0.00 0.04 0.00 0.00 34.50 31.60 3hjk s PRO 84 CO 0.75 0.01 1.60 0.42 0.04 0.00 0.00 177.00 179.82 3hjk s ILE 85 N -1.41 3.28 -1.00 0.56 1.01 -0.27 -1.15 121.20 122.22 3hjk s ILE 85 Ca 0.52 0.66 0.11 0.00 0.00 0.00 0.00 60.65 61.93 3hjk s ILE 85 Cb -0.27 -3.42 -0.00 0.00 0.01 0.00 0.00 42.46 38.77 3hjk s ILE 85 CO 0.35 -0.01 0.67 1.33 0.00 0.00 0.00 174.94 177.27 3hjk n VAL 86 N 4.83 0.00 -3.63 2.92 0.24 0.12 -0.17 118.33 122.63 3hjk n VAL 86 Ca 0.15 -0.39 -0.11 0.00 -2.04 0.00 0.00 64.34 61.95 3hjk n VAL 86 Cb 0.42 1.13 -0.07 0.00 -1.47 0.00 0.00 33.84 33.85 3hjk n VAL 86 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3hjk s TYR 87 N -1.41 -0.84 -0.02 6.34 6.14 -1.10 -4.97 117.35 121.49 3hjk s TYR 87 Ca 0.09 1.89 0.00 0.00 0.64 0.00 0.00 57.07 59.69 3hjk s TYR 87 Cb 0.09 0.39 0.02 0.00 0.42 0.00 0.00 41.96 42.89 3hjk s TYR 87 CO 0.27 -0.41 0.01 0.00 0.64 0.00 0.00 175.55 176.06 3hjk s ALA 88 N 0.79 0.19 0.79 3.97 0.00 -1.26 -0.20 121.76 126.05 3hjk s ALA 88 Ca -0.03 0.19 -0.11 0.00 0.00 0.00 0.00 51.96 52.00 3hjk s ALA 88 Cb -0.05 -0.25 0.07 0.00 0.00 0.00 0.00 23.12 22.89 3hjk s ALA 88 CO -0.07 -0.07 1.09 -1.54 0.00 0.00 0.00 175.76 175.17 3hjk s SER 89 N 0.87 4.46 0.36 0.00 1.04 -0.04 -4.89 113.70 115.51 3hjk s SER 89 Ca -0.08 1.48 0.05 0.00 0.48 0.00 0.00 55.95 57.88 3hjk s SER 89 Cb -0.11 -2.23 0.68 0.00 0.10 0.00 0.00 66.02 64.46 3hjk s SER 89 CO -0.02 -2.01 1.93 -0.33 0.98 0.00 0.00 173.24 173.79 3hjk h GLU 90 N -1.11 0.53 -0.43 4.02 5.08 -1.86 -1.97 114.58 118.84 3hjk h GLU 90 Ca -0.46 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 57.78 3hjk h GLU 90 Cb 1.25 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 3hjk h GLU 90 CO 0.57 0.49 0.12 0.00 -1.00 0.00 0.00 179.01 179.19 3hjk h ALA 91 N 1.58 1.41 -0.16 3.43 0.00 -1.85 -0.62 119.26 123.05 3hjk h ALA 91 Ca 0.12 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3hjk h ALA 91 Cb 0.20 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hjk h ALA 91 CO -0.00 0.43 -0.13 0.35 0.00 0.00 0.00 179.25 179.90 3hjk h PHE 92 N 0.62 0.43 -0.42 0.00 3.57 -1.61 0.12 116.94 119.65 3hjk h PHE 92 Ca 0.14 -0.12 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 3hjk h PHE 92 Cb 0.21 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 3hjk h PHE 92 CO 0.01 0.73 0.10 -0.07 -2.23 0.00 0.00 178.31 176.85 3hjk h LEU 93 N 0.01 0.58 -0.08 0.59 3.38 -1.13 -0.90 115.31 117.75 3hjk h LEU 93 Ca 0.03 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 3hjk h LEU 93 Cb 0.65 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.25 3hjk h LEU 93 CO 0.03 0.58 -0.48 0.22 0.09 0.00 0.00 178.44 178.89 3hjk h TYR 94 N 0.62 0.65 -0.14 1.13 -0.00 -1.06 -0.76 116.97 117.40 3hjk h TYR 94 Ca 0.14 -0.29 0.00 0.00 -0.00 0.00 0.00 58.73 58.58 3hjk h TYR 94 Cb 0.24 -0.10 -0.01 0.00 -0.00 0.00 0.00 36.73 36.86 3hjk h TYR 94 CO 0.01 1.07 0.09 1.98 -0.00 0.00 0.00 178.16 181.31 3hjk h MET 95 N 0.04 0.18 0.00 1.82 4.05 -0.67 -3.09 114.93 117.26 3hjk h MET 95 Ca -0.04 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 3hjk h MET 95 Cb 1.13 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.89 3hjk h MET 95 CO 0.10 0.12 -0.10 1.79 0.23 0.00 0.00 176.91 179.05 3hjk h THR 96 N 0.19 0.00 0.00 -0.77 1.35 -1.25 -3.47 112.91 108.96 3hjk h THR 96 Ca 0.05 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 3hjk h THR 96 Cb -0.02 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 3hjk h THR 96 CO -0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.87 3hjk n GLY 97 N 1.23 0.79 3.92 5.82 0.00 -0.31 0.03 105.19 116.67 3hjk n GLY 97 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 3hjk n GLY 97 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hjk s TYR 98 N -3.23 3.49 0.57 1.61 1.51 -1.09 -4.65 117.35 115.56 3hjk s TYR 98 Ca 0.00 0.36 -0.01 0.00 -1.01 0.00 0.00 57.07 56.42 3hjk s TYR 98 Cb 0.00 -1.86 0.03 0.00 -0.11 0.00 0.00 41.96 40.02 3hjk s TYR 98 CO 0.00 0.44 0.82 -1.54 -1.11 0.00 0.00 175.55 174.15 3hjk s SER 99 N -2.89 5.25 0.13 2.29 1.04 -1.26 -4.55 113.70 113.72 3hjk s SER 99 Ca 0.38 0.14 -0.19 0.00 0.48 0.00 0.00 55.95 56.76 3hjk s SER 99 Cb -0.12 -1.02 -0.01 0.00 0.10 0.00 0.00 66.02 64.97 3hjk s SER 99 CO 0.28 -1.19 1.73 -1.13 0.98 0.00 0.00 173.24 173.91 3hjk h ASN 100 N -0.04 -0.01 -0.46 7.02 -0.73 -1.98 -1.45 115.58 117.93 3hjk h ASN 100 Ca -0.43 0.04 0.11 0.00 1.87 0.00 0.00 56.30 57.89 3hjk h ASN 100 Cb 1.29 0.06 -0.02 0.00 0.27 0.00 0.00 38.32 39.92 3hjk h ASN 100 CO 0.55 0.03 0.32 0.00 -0.37 0.00 0.00 177.43 177.96 3hjk h ALA 101 N 1.18 2.26 0.00 1.57 0.00 -1.94 -1.86 119.26 120.46 3hjk h ALA 101 Ca 0.11 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3hjk h ALA 101 Cb 0.11 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3hjk h ALA 101 CO -0.15 -0.39 -0.58 0.93 0.00 0.00 0.00 179.25 179.06 3hjk h GLU 102 N 0.13 0.00 0.00 0.00 5.08 -1.66 -3.39 114.58 114.73 3hjk h GLU 102 Ca 0.22 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.23 3hjk h GLU 102 Cb 0.70 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.88 3hjk h GLU 102 CO -0.03 0.43 -2.31 1.33 -1.00 0.00 0.00 179.01 177.44 3hjk n VAL 103 N -3.17 1.31 -1.65 3.13 0.24 -0.88 -4.88 118.33 112.45 3hjk n VAL 103 Ca 0.01 -0.50 -0.47 0.00 -2.04 0.00 0.00 64.34 61.34 3hjk n VAL 103 Cb 0.73 -1.32 -0.04 0.00 -1.47 0.00 0.00 33.84 31.74 3hjk n VAL 103 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3hjk n LEU 104 N -3.19 2.67 0.00 1.34 4.32 -0.76 -1.86 117.00 119.52 3hjk n LEU 104 Ca -0.41 1.12 0.00 0.00 -0.02 0.00 0.00 56.01 56.71 3hjk n LEU 104 Cb 0.93 -1.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.37 3hjk n LEU 104 CO 0.22 -0.64 0.00 0.61 -1.22 0.00 0.00 177.39 176.37 3hjk n GLY 105 N 2.51 1.61 3.81 -0.72 0.00 0.76 -4.95 105.19 108.21 3hjk n GLY 105 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.90 3hjk n GLY 105 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hjk s ARG 106 N -0.44 2.96 0.26 1.61 0.52 -0.77 -4.67 118.95 118.41 3hjk s ARG 106 Ca 0.00 -0.83 -0.29 0.00 -0.52 0.00 0.00 55.73 54.09 3hjk s ARG 106 Cb 0.00 -2.69 -0.09 0.00 0.52 0.00 0.00 34.95 32.69 3hjk s ARG 106 CO 0.00 0.49 0.96 1.21 0.02 0.00 0.00 175.30 177.99 3hjk s ASN 107 N -3.09 7.55 0.00 0.23 3.84 -1.26 -1.11 114.94 121.09 3hjk s ASN 107 Ca 0.31 1.98 0.10 0.00 0.21 0.00 0.00 52.86 55.47 3hjk s ASN 107 Cb -0.10 -2.61 0.60 0.00 -0.55 0.00 0.00 41.25 38.59 3hjk s ASN 107 CO 0.24 0.08 1.04 0.00 -2.79 0.00 0.00 177.10 175.68 3hjk n ARG 109 N -1.00 0.16 0.33 0.00 1.85 -1.26 -2.45 116.66 114.29 3hjk n ARG 109 Ca 0.08 0.44 0.21 0.00 -1.00 0.00 0.00 57.85 57.57 3hjk n ARG 109 Cb 0.03 -1.84 1.13 0.00 -1.05 0.00 0.00 32.46 30.73 3hjk n ARG 109 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 3hjk h PHE 110 N 0.00 0.00 0.00 2.89 -5.15 -1.84 0.14 116.94 112.99 3hjk h PHE 110 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3hjk h PHE 110 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.46 3hjk h PHE 110 CO 0.00 0.00 0.00 1.28 -2.00 0.00 0.00 178.31 177.59 3hjk n LEU 111 N -3.30 0.00 -0.07 2.10 4.77 -1.03 -2.99 117.00 116.48 3hjk n LEU 111 Ca -0.03 0.32 0.14 0.00 -0.03 0.00 0.00 56.01 56.41 3hjk n LEU 111 Cb 0.08 -0.32 0.81 0.00 -2.33 0.00 0.00 43.42 41.66 3hjk n LEU 111 CO 0.22 -0.10 1.03 0.00 -1.33 0.00 0.00 177.39 177.21 3hjk n GLN 112 N -1.32 1.09 -4.08 3.23 6.02 0.50 -0.20 117.38 122.63 3hjk n GLN 112 Ca 0.09 -0.14 -0.17 0.00 -0.01 0.00 0.00 57.00 56.78 3hjk n GLN 112 Cb 0.18 -1.46 -0.15 0.00 1.02 0.00 0.00 30.24 29.83 3hjk n GLN 112 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3hjk s SER 113 N -1.91 0.57 0.32 1.08 0.15 -1.16 -4.73 113.70 108.02 3hjk s SER 113 Ca 0.43 -0.08 0.19 0.00 0.70 0.00 0.00 55.95 57.19 3hjk s SER 113 Cb 0.20 -0.17 1.04 0.00 -1.71 0.00 0.00 66.02 65.38 3hjk s SER 113 CO 0.33 -0.01 1.56 -0.81 1.20 0.00 0.00 173.24 175.52 3hjk n PRO 114 N 3.47 0.12 -0.12 5.44 -0.04 -1.26 0.49 135.00 143.11 3hjk n PRO 114 Ca -0.19 0.62 0.06 0.00 -0.04 0.00 0.00 63.50 63.95 3hjk n PRO 114 Cb 0.55 -1.99 0.12 0.00 -0.04 0.00 0.00 33.50 32.14 3hjk n PRO 114 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3hjk n ASP 115 N -2.19 2.63 -1.35 3.54 3.85 -1.26 -4.13 116.55 117.63 3hjk n ASP 115 Ca -0.01 -1.82 -0.18 0.00 -0.71 0.00 0.00 54.79 52.07 3hjk n ASP 115 Cb 0.11 -0.16 -0.08 0.00 -1.35 0.00 0.00 41.12 39.64 3hjk n ASP 115 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hjk n GLY 116 N 0.60 1.70 3.21 6.12 0.00 0.18 -4.95 105.19 112.05 3hjk n GLY 116 Ca 0.10 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3hjk n GLY 116 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hjk s MET 117 N -3.49 2.40 -0.24 1.61 -1.94 -1.26 -4.75 119.30 111.64 3hjk s MET 117 Ca 0.00 -1.61 -0.04 0.00 -1.71 0.00 0.00 55.69 52.33 3hjk s MET 117 Cb 0.00 -3.72 0.08 0.00 2.01 0.00 0.00 34.83 33.20 3hjk s MET 117 CO 0.00 -1.02 0.09 0.08 -0.01 0.00 0.00 175.02 174.17 3hjk s VAL 118 N 1.32 0.20 0.28 -6.03 1.01 -1.26 -4.83 120.40 111.09 3hjk s VAL 118 Ca 0.04 -0.66 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 3hjk s VAL 118 Cb -0.23 -0.99 -0.09 0.00 0.00 0.00 0.00 36.38 35.06 3hjk s VAL 118 CO -0.00 -0.49 1.02 -0.54 0.00 0.00 0.00 175.10 175.09 3hjk s LYS 119 N 1.98 4.66 0.56 2.72 -0.14 -1.26 -4.79 119.74 123.47 3hjk s LYS 119 Ca 0.05 1.61 -0.21 0.00 -1.36 0.00 0.00 55.97 56.06 3hjk s LYS 119 Cb -0.16 -3.11 -0.05 0.00 -1.68 0.00 0.00 37.83 32.83 3hjk s LYS 119 CO -0.21 0.29 1.15 -2.30 -0.76 0.00 0.00 175.35 173.52 3hjk n PRO 120 N 1.09 1.29 0.00 -1.68 -0.02 -1.26 -2.08 135.00 132.35 3hjk n PRO 120 Ca -0.00 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3hjk n PRO 120 Cb 0.47 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3hjk n PRO 120 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3hjk n LYS 121 N -0.92 0.00 -1.52 -0.52 4.76 -1.26 -4.97 118.16 113.73 3hjk n LYS 121 Ca 0.12 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.23 3hjk n LYS 121 Cb 0.45 -2.31 0.08 0.00 -1.84 0.00 0.00 35.03 31.41 3hjk n LYS 121 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3hjk s SER 122 N -3.02 4.52 -0.25 4.39 1.04 -0.88 -4.98 113.70 114.53 3hjk s SER 122 Ca 0.00 2.16 -0.19 0.00 0.48 0.00 0.00 55.95 58.40 3hjk s SER 122 Cb 0.00 -2.57 -0.02 0.00 0.10 0.00 0.00 66.02 63.53 3hjk s SER 122 CO 0.00 -2.03 0.57 -0.89 0.98 0.00 0.00 173.24 171.87 3hjk s THR 123 N -2.23 5.04 0.36 2.02 2.01 -1.26 -5.02 115.64 116.55 3hjk s THR 123 Ca 0.70 1.01 -0.26 0.00 0.31 0.00 0.00 61.69 63.44 3hjk s THR 123 Cb -0.24 -3.88 -0.09 0.00 0.01 0.00 0.00 72.50 68.30 3hjk s THR 123 CO 0.45 0.08 1.10 -0.13 -0.69 0.00 0.00 174.62 175.43 3hjk s ARG 124 N 2.26 4.30 0.00 4.92 3.00 -1.26 -4.96 118.95 127.21 3hjk s ARG 124 Ca 0.24 1.72 0.23 0.00 0.00 0.00 0.00 55.73 57.92 3hjk s ARG 124 Cb -0.16 -2.82 0.11 0.00 0.00 0.00 0.00 34.95 32.09 3hjk s ARG 124 CO 0.09 -0.07 1.15 0.36 0.00 0.00 0.00 175.30 176.84 3hjk n LYS 125 N 0.43 0.86 0.00 3.54 0.00 -1.26 -4.34 118.16 117.39 3hjk n LYS 125 Ca 0.03 -0.68 0.00 0.00 -0.00 0.00 0.00 58.31 57.66 3hjk n LYS 125 Cb 0.47 -1.49 0.00 0.00 -0.00 0.00 0.00 35.03 34.01 3hjk n LYS 125 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3hjk n TYR 126 N -0.48 0.00 -4.66 5.58 4.01 -1.26 -5.06 117.16 115.29 3hjk n TYR 126 Ca 0.09 -0.15 -0.23 0.00 -0.16 0.00 0.00 57.90 57.45 3hjk n TYR 126 Cb 0.42 -0.02 -0.15 0.00 -0.31 0.00 0.00 39.34 39.28 3hjk n TYR 126 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3hjk s VAL 127 N -0.30 1.13 -0.09 -0.72 1.01 -1.26 -4.78 120.40 115.39 3hjk s VAL 127 Ca 0.00 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.09 3hjk s VAL 127 Cb 0.00 -0.95 -0.07 0.00 0.00 0.00 0.00 36.38 35.36 3hjk s VAL 127 CO 0.00 0.32 2.07 -0.62 0.00 0.00 0.00 175.10 176.87 3hjk s ASP 128 N -0.25 5.99 0.32 3.32 -1.08 -1.26 -4.66 116.67 119.05 3hjk s ASP 128 Ca 0.04 2.27 0.08 0.00 -0.52 0.00 0.00 52.55 54.41 3hjk s ASP 128 Cb -0.06 -2.52 0.80 0.00 -1.46 0.00 0.00 42.92 39.67 3hjk s ASP 128 CO -0.00 -1.48 1.78 0.28 0.52 0.00 0.00 175.17 176.27 3hjk h SER 129 N 12.66 0.73 -0.15 -0.34 0.02 -1.99 -0.84 113.55 123.65 3hjk h SER 129 Ca -0.45 0.09 -0.13 0.00 -0.84 0.00 0.00 61.79 60.46 3hjk h SER 129 Cb 1.23 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 3hjk h SER 129 CO 0.95 0.25 -0.36 -1.13 -1.14 0.00 0.00 176.83 175.40 3hjk h ASN 130 N 0.70 0.70 0.27 3.07 -1.24 -1.99 -1.99 115.58 115.10 3hjk h ASN 130 Ca 0.58 -0.30 -0.01 0.00 0.71 0.00 0.00 56.30 57.28 3hjk h ASN 130 Cb 0.98 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.83 3hjk h ASN 130 CO -0.37 0.99 -0.13 0.74 -1.29 0.00 0.00 177.43 177.38 3hjk h THR 131 N 0.56 0.75 -0.25 -3.57 2.02 -1.56 -0.01 112.91 110.85 3hjk h THR 131 Ca 0.06 -0.14 0.01 0.00 0.77 0.00 0.00 66.41 67.11 3hjk h THR 131 Cb 0.88 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 3hjk h THR 131 CO 0.08 0.03 0.17 0.40 0.37 0.00 0.00 175.52 176.57 3hjk h ILE 132 N -0.43 1.04 -0.14 3.11 2.04 -1.37 -1.30 117.51 120.44 3hjk h ILE 132 Ca -0.04 -0.10 -0.22 0.00 1.00 0.00 0.00 64.86 65.50 3hjk h ILE 132 Cb 0.33 0.71 0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3hjk h ILE 132 CO 0.06 0.05 -0.78 -1.13 0.00 0.00 0.00 178.15 176.35 3hjk h ASN 133 N 0.30 0.94 -0.32 1.72 -1.24 -1.03 -2.28 115.58 113.67 3hjk h ASN 133 Ca 0.10 -0.64 0.06 0.00 0.71 0.00 0.00 56.30 56.53 3hjk h ASN 133 Cb 0.03 -0.28 -0.05 0.00 0.73 0.00 0.00 38.32 38.75 3hjk h ASN 133 CO -0.02 1.43 -0.00 0.74 -1.29 0.00 0.00 177.43 178.28 3hjk h THR 134 N 0.52 0.76 0.17 -3.57 2.02 0.10 -1.06 112.91 111.85 3hjk h THR 134 Ca -0.06 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3hjk h THR 134 Cb 1.42 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 3hjk h THR 134 CO 0.16 0.02 -0.16 0.24 0.37 0.00 0.00 175.52 176.15 3hjk h MET 135 N 0.09 -0.34 -0.64 6.66 2.86 -1.35 -1.64 114.93 120.58 3hjk h MET 135 Ca 0.15 0.02 0.13 0.00 -2.06 0.00 0.00 59.70 57.94 3hjk h MET 135 Cb 0.21 0.08 -0.09 0.00 0.06 0.00 0.00 31.60 31.85 3hjk h MET 135 CO -0.26 -0.23 0.13 -0.09 1.06 0.00 0.00 176.91 177.52 3hjk h ARG 136 N -0.35 0.24 -0.21 1.72 2.43 -0.87 -0.26 114.38 117.09 3hjk h ARG 136 Ca 0.00 -0.01 -0.20 0.00 -0.81 0.00 0.00 59.98 58.96 3hjk h ARG 136 Cb 0.33 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3hjk h ARG 136 CO -0.04 0.16 -0.65 0.87 -1.51 0.00 0.00 179.97 178.80 3hjk h LYS 137 N 0.25 0.79 -0.25 0.20 1.57 -1.11 -1.94 116.57 116.07 3hjk h LYS 137 Ca 0.34 -0.56 0.04 0.00 -1.87 0.00 0.00 60.65 58.59 3hjk h LYS 137 Cb 0.53 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 3hjk h LYS 137 CO -0.44 1.18 0.04 0.00 -0.57 0.00 0.00 179.45 179.66 3hjk h ALA 138 N 0.68 0.25 -0.46 3.86 0.00 -0.67 -1.14 119.26 121.77 3hjk h ALA 138 Ca -0.02 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3hjk h ALA 138 Cb 1.26 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 3hjk h ALA 138 CO 0.14 -0.38 0.22 0.82 0.00 0.00 0.00 179.25 180.05 3hjk h ILE 139 N 0.13 1.18 -0.04 0.00 2.04 -1.04 0.34 117.51 120.12 3hjk h ILE 139 Ca 0.12 -0.52 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 3hjk h ILE 139 Cb 0.13 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3hjk h ILE 139 CO -0.17 0.20 -0.05 0.44 0.00 0.00 0.00 178.15 178.57 3hjk h ASP 140 N 0.61 0.05 -0.34 1.72 3.45 -0.99 -2.34 116.42 118.57 3hjk h ASP 140 Ca 0.16 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.61 3hjk h ASP 140 Cb 0.12 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 38.87 3hjk h ASP 140 CO -0.02 0.12 0.00 0.54 -1.57 0.00 0.00 179.24 178.31 3hjk n ARG 141 N -4.44 2.45 -3.04 3.56 1.74 -0.46 -4.95 116.66 111.51 3hjk n ARG 141 Ca -0.02 -2.18 -0.22 0.00 -0.77 0.00 0.00 57.85 54.65 3hjk n ARG 141 Cb 0.15 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.11 3hjk n ARG 141 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3hjk n ASN 142 N 1.41 -5.57 -4.72 0.55 3.02 -0.20 -4.96 115.26 104.79 3hjk n ASN 142 Ca 0.19 -0.28 -0.35 0.00 -0.03 0.00 0.00 54.58 54.11 3hjk n ASN 142 Cb 0.59 -4.52 -0.08 0.00 -0.61 0.00 0.00 39.78 35.16 3hjk n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hjk s ALA 143 N -3.11 3.68 0.51 5.41 0.00 0.10 -4.73 121.76 123.62 3hjk s ALA 143 Ca 0.30 -0.70 -0.22 0.00 0.00 0.00 0.00 51.96 51.34 3hjk s ALA 143 Cb -0.14 -2.17 -0.07 0.00 0.00 0.00 0.00 23.12 20.74 3hjk s ALA 143 CO 0.37 0.14 1.16 0.39 0.00 0.00 0.00 175.76 177.82 3hjk n GLU 144 N 3.56 1.46 -3.71 0.00 1.02 -1.26 -4.40 120.64 117.32 3hjk n GLU 144 Ca -0.16 0.53 -0.14 0.00 -0.02 0.00 0.00 57.16 57.38 3hjk n GLU 144 Cb 0.52 -2.31 -0.09 0.00 -0.02 0.00 0.00 31.44 29.54 3hjk n GLU 144 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hjk s VAL 145 N -1.33 0.02 -0.03 2.62 0.11 -0.95 -4.98 120.40 115.86 3hjk s VAL 145 Ca 0.68 -0.13 0.03 0.00 -2.93 0.00 0.00 61.98 59.63 3hjk s VAL 145 Cb -0.47 -0.67 -0.00 0.00 -1.53 0.00 0.00 36.38 33.71 3hjk s VAL 145 CO 0.52 -0.07 -0.11 -1.58 -3.33 0.00 0.00 175.10 170.53 3hjk s GLN 146 N -0.36 1.11 0.32 1.54 0.74 -1.26 -1.04 119.66 120.71 3hjk s GLN 146 Ca -0.05 -0.38 -0.09 0.00 0.05 0.00 0.00 55.36 54.89 3hjk s GLN 146 Cb -0.03 -1.03 0.01 0.00 1.10 0.00 0.00 33.01 33.06 3hjk s GLN 146 CO 0.03 0.16 0.54 0.14 -0.55 0.00 0.00 175.29 175.61 3hjk s VAL 147 N 0.08 0.00 -0.23 1.34 -7.23 0.26 -5.01 120.40 109.61 3hjk s VAL 147 Ca -0.02 -1.41 0.01 0.00 -1.81 0.00 0.00 61.98 58.75 3hjk s VAL 147 Cb -0.08 -2.53 0.06 0.00 0.56 0.00 0.00 36.38 34.39 3hjk s VAL 147 CO 0.01 0.00 -0.06 -1.61 -0.31 0.00 0.00 175.10 173.12 3hjk s GLU 148 N -3.26 1.70 -0.01 4.82 2.02 -1.26 -0.77 118.70 121.94 3hjk s GLU 148 Ca 0.25 -0.98 0.07 0.00 0.02 0.00 0.00 54.97 54.33 3hjk s GLU 148 Cb -0.01 -2.57 -0.02 0.00 0.10 0.00 0.00 34.13 31.62 3hjk s GLU 148 CO 0.14 -0.57 -0.24 0.54 0.02 0.00 0.00 175.26 175.16 3hjk s VAL 149 N 1.38 1.86 0.09 2.63 0.11 -0.82 -4.90 120.40 120.75 3hjk s VAL 149 Ca -0.05 -1.05 -0.30 0.00 -2.93 0.00 0.00 61.98 57.64 3hjk s VAL 149 Cb -0.19 -1.56 -0.06 0.00 -1.53 0.00 0.00 36.38 33.05 3hjk s VAL 149 CO -0.06 0.49 1.13 -0.69 -3.33 0.00 0.00 175.10 172.63 3hjk s VAL 150 N -0.59 4.12 0.32 2.04 1.01 -1.26 -0.44 120.40 125.59 3hjk s VAL 150 Ca 0.09 1.61 0.03 0.00 0.00 0.00 0.00 61.98 63.71 3hjk s VAL 150 Cb -0.09 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 3hjk s VAL 150 CO -0.00 0.17 0.14 0.20 0.00 0.00 0.00 175.10 175.61 3hjk s ASN 151 N 0.67 1.76 -0.02 3.32 0.02 -0.21 -4.62 114.94 115.86 3hjk s ASN 151 Ca 0.55 -1.54 0.00 0.00 -1.02 0.00 0.00 52.86 50.85 3hjk s ASN 151 Cb -0.28 0.34 0.02 0.00 0.02 0.00 0.00 41.25 41.35 3hjk s ASN 151 CO 0.31 -0.85 0.02 -0.36 0.02 0.00 0.00 177.10 176.23 3hjk s PHE 152 N -3.54 0.11 0.78 2.20 0.08 0.72 -1.82 117.98 116.51 3hjk s PHE 152 Ca 0.34 0.07 -0.11 0.00 0.12 0.00 0.00 56.93 57.35 3hjk s PHE 152 Cb 0.05 -0.24 0.06 0.00 -0.57 0.00 0.00 43.02 42.32 3hjk s PHE 152 CO 0.17 -0.08 1.08 0.15 -0.10 0.00 0.00 175.22 176.44 3hjk s LYS 153 N 0.86 2.24 0.38 0.44 1.02 0.28 -4.80 119.74 120.16 3hjk s LYS 153 Ca -0.08 0.83 0.19 0.00 0.02 0.00 0.00 55.97 56.94 3hjk s LYS 153 Cb -0.11 -1.92 1.17 0.00 -0.52 0.00 0.00 37.83 36.45 3hjk s LYS 153 CO -0.02 -1.56 1.69 -0.22 -0.92 0.00 0.00 175.35 174.32 3hjk h LYS 154 N -1.05 0.29 -0.10 1.68 3.64 -0.67 0.99 116.57 121.34 3hjk h LYS 154 Ca -0.46 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3hjk h LYS 154 Cb 1.25 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3hjk h LYS 154 CO 0.57 0.19 0.00 0.27 -2.27 0.00 0.00 179.45 178.21 3hjk n ASN 155 N -4.83 0.56 0.00 4.20 2.04 -1.26 -4.87 115.26 111.10 3hjk n ASN 155 Ca 0.31 -1.97 0.00 0.00 -0.44 0.00 0.00 54.58 52.49 3hjk n ASN 155 Cb 1.06 -0.07 0.00 0.00 -2.53 0.00 0.00 39.78 38.24 3hjk n ASN 155 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3hjk n GLY 156 N 0.68 1.59 3.70 4.83 0.00 0.34 -5.01 105.19 111.33 3hjk n GLY 156 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3hjk n GLY 156 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hjk s GLN 157 N -0.34 4.16 0.22 1.61 0.74 -1.25 -4.61 119.66 120.20 3hjk s GLN 157 Ca 0.00 2.49 -0.23 0.00 0.05 0.00 0.00 55.36 57.67 3hjk s GLN 157 Cb 0.00 -3.38 -0.08 0.00 1.10 0.00 0.00 33.01 30.64 3hjk s GLN 157 CO 0.00 -0.75 0.79 0.50 -0.55 0.00 0.00 175.29 175.28 3hjk s ARG 158 N 2.03 4.44 0.03 1.67 3.52 -1.26 -0.55 118.95 128.82 3hjk s ARG 158 Ca 0.76 1.07 -0.26 0.00 -0.13 0.00 0.00 55.73 57.18 3hjk s ARG 158 Cb -0.45 -3.02 0.06 0.00 -1.56 0.00 0.00 34.95 29.98 3hjk s ARG 158 CO 0.33 0.44 0.59 -0.59 -0.81 0.00 0.00 175.30 175.27 3hjk s PHE 159 N -1.39 -0.53 -0.03 5.12 -0.71 -0.76 -4.97 117.98 114.70 3hjk s PHE 159 Ca 0.41 0.70 -0.21 0.00 -1.04 0.00 0.00 56.93 56.79 3hjk s PHE 159 Cb -0.20 0.40 -0.05 0.00 -1.21 0.00 0.00 43.02 41.97 3hjk s PHE 159 CO 0.24 -0.66 0.62 0.08 -1.34 0.00 0.00 175.22 174.16 3hjk s VAL 160 N -2.13 4.97 -0.35 -2.49 1.01 -1.26 -1.04 120.40 119.12 3hjk s VAL 160 Ca -0.07 1.29 -0.05 0.00 0.00 0.00 0.00 61.98 63.15 3hjk s VAL 160 Cb -0.01 -3.96 0.05 0.00 0.00 0.00 0.00 36.38 32.46 3hjk s VAL 160 CO 0.01 0.35 0.11 0.21 0.00 0.00 0.00 175.10 175.78 3hjk s ASN 161 N 0.22 5.26 -0.88 3.32 3.84 0.41 -4.41 114.94 122.70 3hjk s ASN 161 Ca 0.33 -1.29 -0.25 0.00 0.21 0.00 0.00 52.86 51.86 3hjk s ASN 161 Cb -0.18 -1.85 0.03 0.00 -0.55 0.00 0.00 41.25 38.71 3hjk s ASN 161 CO 0.17 -0.35 1.45 0.12 -2.79 0.00 0.00 177.10 175.69 3hjk s PHE 162 N 1.35 2.33 -0.15 0.43 5.99 0.15 -1.95 117.98 126.13 3hjk s PHE 162 Ca -0.01 -0.34 -0.08 0.00 0.00 0.00 0.00 56.93 56.50 3hjk s PHE 162 Cb -0.20 -4.59 -0.04 0.00 0.00 0.00 0.00 43.02 38.19 3hjk s PHE 162 CO 0.01 -2.00 0.14 -1.17 -0.00 0.00 0.00 175.22 172.20 3hjk s LEU 163 N 5.88 4.33 -0.05 6.12 2.96 0.05 -2.25 118.68 135.72 3hjk s LEU 163 Ca 0.45 0.39 0.02 0.00 -0.22 0.00 0.00 54.13 54.77 3hjk s LEU 163 Cb -0.04 -2.08 0.01 0.00 0.50 0.00 0.00 46.19 44.58 3hjk s LEU 163 CO 0.02 0.33 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.38 3hjk s THR 164 N -0.56 1.01 -0.06 3.68 2.01 -0.65 -0.58 115.64 120.49 3hjk s THR 164 Ca 0.13 -0.44 0.05 0.00 0.31 0.00 0.00 61.69 61.73 3hjk s THR 164 Cb -0.12 -0.92 -0.00 0.00 0.01 0.00 0.00 72.50 71.47 3hjk s THR 164 CO 0.02 0.32 -0.20 -0.04 -0.69 0.00 0.00 174.62 174.03 3hjk s MET 165 N 0.47 2.16 -0.08 4.92 1.00 -0.20 -0.04 119.30 127.52 3hjk s MET 165 Ca -0.09 -0.71 -0.01 0.00 0.00 0.00 0.00 55.69 54.88 3hjk s MET 165 Cb -0.13 -1.80 0.03 0.00 0.00 0.00 0.00 34.83 32.92 3hjk s MET 165 CO 0.02 0.25 -0.03 0.42 0.00 0.00 0.00 175.02 175.68 3hjk s ILE 166 N 0.10 0.64 0.49 2.53 -1.09 -0.24 -2.24 121.20 121.38 3hjk s ILE 166 Ca -0.07 -0.06 -0.24 0.00 -2.23 0.00 0.00 60.65 58.05 3hjk s ILE 166 Cb -0.13 -0.73 -0.07 0.00 -1.58 0.00 0.00 42.46 39.95 3hjk s ILE 166 CO 0.04 0.30 1.36 -2.16 -1.23 0.00 0.00 174.94 173.25 3hjk s PRO 167 N 1.76 3.49 0.00 2.79 0.04 -1.26 -1.24 135.00 140.58 3hjk s PRO 167 Ca 0.03 2.26 0.05 0.00 0.04 0.00 0.00 61.00 63.38 3hjk s PRO 167 Cb -0.13 -2.48 -0.02 0.00 0.04 0.00 0.00 34.50 31.92 3hjk s PRO 167 CO -0.06 -0.92 -0.17 0.08 0.04 0.00 0.00 177.00 175.98 3hjk s VAL 168 N -1.28 1.31 -0.11 -0.36 1.01 0.20 -4.87 120.40 116.30 3hjk s VAL 168 Ca 0.65 -0.80 -0.11 0.00 0.00 0.00 0.00 61.98 61.72 3hjk s VAL 168 Cb -0.40 -1.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 3hjk s VAL 168 CO 0.50 0.29 0.25 -0.13 0.00 0.00 0.00 175.10 176.01 3hjk s ARG 169 N -0.59 3.89 0.00 2.72 0.52 -1.26 -0.73 118.95 123.50 3hjk s ARG 169 Ca 0.06 0.06 0.00 0.00 -0.52 0.00 0.00 55.73 55.33 3hjk s ARG 169 Cb -0.07 -3.30 0.00 0.00 0.52 0.00 0.00 34.95 32.11 3hjk s ARG 169 CO -0.00 0.54 0.00 -0.40 0.02 0.00 0.00 175.30 175.46 3hjk n ASP 170 N 2.61 0.00 0.16 0.23 5.68 -1.16 -4.84 116.55 119.23 3hjk n ASP 170 Ca -0.16 -0.21 0.15 0.00 -0.50 0.00 0.00 54.79 54.07 3hjk n ASP 170 Cb 0.53 0.00 0.72 0.00 -1.14 0.00 0.00 41.12 41.23 3hjk n ASP 170 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3hjk h GLU 171 N 0.00 0.00 0.00 0.11 4.39 -1.99 -1.10 114.58 116.00 3hjk h GLU 171 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3hjk h GLU 171 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3hjk h GLU 171 CO 0.00 0.00 0.00 0.25 -1.16 0.00 0.00 179.01 178.10 3hjk n THR 172 N -4.25 0.60 -0.31 1.13 -2.24 -1.26 -4.89 114.28 103.06 3hjk n THR 172 Ca 0.03 0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 3hjk n THR 172 Cb 0.33 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.75 3hjk n THR 172 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hjk n GLY 173 N 0.61 1.49 3.66 3.38 0.00 -0.41 -5.04 105.19 108.87 3hjk n GLY 173 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3hjk n GLY 173 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hjk s GLU 174 N -0.33 2.56 -0.15 1.61 2.02 -1.26 -4.84 118.70 118.31 3hjk s GLU 174 Ca 0.00 -0.79 -0.36 0.00 0.02 0.00 0.00 54.97 53.84 3hjk s GLU 174 Cb 0.00 -2.54 -0.13 0.00 0.10 0.00 0.00 34.13 31.56 3hjk s GLU 174 CO 0.00 0.56 1.86 0.66 0.02 0.00 0.00 175.26 178.37 3hjk n TYR 175 N 0.90 2.24 0.00 1.61 4.01 -1.26 -3.00 117.16 121.66 3hjk n TYR 175 Ca -0.12 0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 3hjk n TYR 175 Cb 0.52 -2.61 0.00 0.00 -0.31 0.00 0.00 39.34 36.94 3hjk n TYR 175 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3hjk n ARG 176 N 6.41 2.67 -4.55 -0.72 3.00 0.09 -4.93 116.66 118.63 3hjk n ARG 176 Ca 0.24 0.00 -0.26 0.00 -0.00 0.00 0.00 57.85 57.83 3hjk n ARG 176 Cb 0.25 -0.96 -0.09 0.00 0.00 0.00 0.00 32.46 31.66 3hjk n ARG 176 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 3hjk s TYR 177 N -1.92 1.89 -0.02 -0.14 1.51 -0.86 -0.75 117.35 117.06 3hjk s TYR 177 Ca 0.00 -1.10 0.00 0.00 -1.01 0.00 0.00 57.07 54.96 3hjk s TYR 177 Cb 0.00 -1.31 0.03 0.00 -0.11 0.00 0.00 41.96 40.57 3hjk s TYR 177 CO 0.00 -0.07 0.03 0.45 -1.11 0.00 0.00 175.55 174.84 3hjk s SER 178 N -3.63 0.11 -0.18 2.29 0.15 -0.84 0.59 113.70 112.19 3hjk s SER 178 Ca 0.24 0.03 -0.05 0.00 0.70 0.00 0.00 55.95 56.88 3hjk s SER 178 Cb 0.04 -0.09 -0.03 0.00 -1.71 0.00 0.00 66.02 64.24 3hjk s SER 178 CO 0.13 -0.12 -0.01 -0.32 1.20 0.00 0.00 173.24 174.12 3hjk s MET 179 N 1.05 3.68 -0.09 5.44 1.75 -0.37 -0.80 119.30 129.95 3hjk s MET 179 Ca -0.09 -0.50 -0.01 0.00 -1.25 0.00 0.00 55.69 53.84 3hjk s MET 179 Cb -0.13 -3.03 -0.03 0.00 2.84 0.00 0.00 34.83 34.48 3hjk s MET 179 CO -0.03 0.14 -0.02 0.20 -0.65 0.00 0.00 175.02 174.66 3hjk s GLY 180 N 0.67 1.80 -0.21 2.11 0.00 0.40 -1.08 107.32 111.01 3hjk s GLY 180 Ca -0.01 -0.83 -0.01 0.00 0.00 0.00 0.00 44.72 43.87 3hjk s GLY 180 CO 0.02 -0.55 -0.11 -1.36 0.00 0.00 0.00 173.10 171.10 3hjk s PHE 181 N -0.76 2.90 -0.11 1.90 0.08 0.94 -0.99 117.98 121.95 3hjk s PHE 181 Ca 0.12 -1.34 -0.04 0.00 0.12 0.00 0.00 56.93 55.79 3hjk s PHE 181 Cb -0.11 -2.02 -0.04 0.00 -0.57 0.00 0.00 43.02 40.28 3hjk s PHE 181 CO 0.02 -0.69 0.04 -0.65 -0.10 0.00 0.00 175.22 173.84 3hjk s GLN 182 N 1.37 3.27 -0.04 0.44 1.11 -0.25 -1.64 119.66 123.91 3hjk s GLN 182 Ca 0.04 -0.34 0.01 0.00 0.01 0.00 0.00 55.36 55.08 3hjk s GLN 182 Cb -0.14 -2.95 0.02 0.00 -1.01 0.00 0.00 33.01 28.94 3hjk s GLN 182 CO -0.08 0.63 -0.02 0.00 0.01 0.00 0.00 175.29 175.84