#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hjk n HIS 37 N 0.00 2.59 -1.19 1.12 8.25 -1.26 -5.08 115.22 119.65 3hjk n HIS 37 Ca 0.00 -2.95 -0.42 0.00 -0.26 0.00 0.00 57.72 54.09 3hjk n HIS 37 Cb 0.00 -0.19 -0.03 0.00 1.12 0.00 0.00 29.99 30.89 3hjk n HIS 37 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3hjk n THR 38 N -0.35 1.45 -4.39 1.59 -1.04 -1.26 -4.95 114.28 105.33 3hjk n THR 38 Ca 0.28 -0.36 -0.34 0.00 -2.04 0.00 0.00 64.05 61.59 3hjk n THR 38 Cb 0.73 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 69.12 3hjk n THR 38 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3hjk s LEU 39 N 2.17 3.32 -0.06 -4.42 1.02 -1.26 -4.97 118.68 114.47 3hjk s LEU 39 Ca 0.57 -0.08 -0.12 0.00 0.02 0.00 0.00 54.13 54.52 3hjk s LEU 39 Cb -0.82 -1.79 -0.05 0.00 0.02 0.00 0.00 46.19 43.54 3hjk s LEU 39 CO 0.47 0.20 0.30 -0.31 0.02 0.00 0.00 176.35 177.03 3hjk s TYR 40 N 0.17 3.65 -0.00 0.29 2.02 -1.26 -5.03 117.35 117.18 3hjk s TYR 40 Ca -0.01 0.78 -0.30 0.00 -0.37 0.00 0.00 57.07 57.17 3hjk s TYR 40 Cb -0.14 -2.17 -0.08 0.00 -0.40 0.00 0.00 41.96 39.18 3hjk s TYR 40 CO 0.03 0.63 2.01 0.00 -1.57 0.00 0.00 175.55 176.65 3hjk s ALA 41 N -0.88 3.44 0.31 3.71 0.00 -1.26 -4.92 121.76 122.16 3hjk s ALA 41 Ca 0.20 1.24 -0.29 0.00 0.00 0.00 0.00 51.96 53.10 3hjk s ALA 41 Cb -0.15 -3.88 -0.11 0.00 0.00 0.00 0.00 23.12 18.98 3hjk s ALA 41 CO 0.09 -1.78 1.53 -1.25 0.00 0.00 0.00 175.76 174.35 3hjk s PRO 42 N 4.78 4.15 0.00 0.00 0.04 -1.26 -1.49 135.00 141.22 3hjk s PRO 42 Ca 0.91 2.52 0.00 0.00 0.04 0.00 0.00 61.00 64.46 3hjk s PRO 42 Cb -0.41 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.10 3hjk s PRO 42 CO 0.41 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 177.31 3hjk n GLY 43 N 1.64 0.83 2.33 0.56 0.00 -1.26 -4.95 105.19 104.33 3hjk n GLY 43 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3hjk n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hjk n GLY 44 N -2.12 -2.35 3.69 -0.02 0.00 -0.56 -4.98 105.19 98.86 3hjk n GLY 44 Ca 0.00 -1.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.13 3hjk n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hjk s TYR 45 N -0.62 3.07 -1.54 1.61 1.51 -1.26 -4.87 117.35 115.25 3hjk s TYR 45 Ca 0.00 0.06 -0.11 0.00 -1.01 0.00 0.00 57.07 56.01 3hjk s TYR 45 Cb 0.00 -1.64 -0.02 0.00 -0.11 0.00 0.00 41.96 40.18 3hjk s TYR 45 CO 0.00 0.47 2.63 -3.47 -1.11 0.00 0.00 175.55 174.07 3hjk n ASP 46 N 1.17 6.81 -0.15 2.29 2.03 -1.26 -4.70 116.55 122.73 3hjk n ASP 46 Ca -0.13 -2.72 -0.05 0.00 0.52 0.00 0.00 54.79 52.41 3hjk n ASP 46 Cb 0.52 -1.58 0.04 0.00 -0.72 0.00 0.00 41.12 39.38 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 3.38 0.92 -0.53 5.18 1.08 -1.98 0.47 117.51 126.02 3hjk h ILE 47 Ca 0.74 -0.14 -0.02 0.00 -0.39 0.00 0.00 64.86 65.05 3hjk h ILE 47 Cb 0.43 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 34.62 3hjk h ILE 47 CO 1.81 0.08 0.26 0.24 -0.69 0.00 0.00 178.15 179.84 3hjk h MET 48 N 0.41 0.76 -0.83 2.37 2.86 -1.99 0.98 114.93 119.48 3hjk h MET 48 Ca 0.21 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 3hjk h MET 48 Cb 0.15 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.64 3hjk h MET 48 CO -0.17 0.62 0.50 0.78 1.06 0.00 0.00 176.91 179.69 3hjk h GLY 49 N 0.71 1.21 1.89 8.32 0.00 -1.82 -0.74 103.07 112.64 3hjk h GLY 49 Ca 0.18 -0.51 -0.16 0.00 0.00 0.00 0.00 47.33 46.85 3hjk h GLY 49 CO -0.02 0.49 -0.70 -0.97 0.00 0.00 0.00 176.54 175.34 3hjk h TYR 50 N 1.15 0.15 -0.48 5.60 0.05 -0.37 -0.49 116.97 122.58 3hjk h TYR 50 Ca 0.30 -0.07 -0.13 0.00 0.05 0.00 0.00 58.73 58.89 3hjk h TYR 50 Cb -0.04 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 3hjk h TYR 50 CO 0.01 0.77 -0.19 -0.07 -1.05 0.00 0.00 178.16 177.63 3hjk h LEU 51 N 0.07 1.00 -0.45 3.88 3.38 -0.21 0.12 115.31 123.11 3hjk h LEU 51 Ca -0.01 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.52 3hjk h LEU 51 Cb 1.24 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3hjk h LEU 51 CO 0.10 1.17 0.10 0.40 0.09 0.00 0.00 178.44 180.29 3hjk h ILE 52 N 0.84 1.24 -0.73 1.22 2.04 -1.02 -1.01 117.51 120.09 3hjk h ILE 52 Ca 0.11 -0.84 0.03 0.00 1.00 0.00 0.00 64.86 65.16 3hjk h ILE 52 Cb 0.76 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 3hjk h ILE 52 CO 0.06 0.30 0.46 -0.61 0.00 0.00 0.00 178.15 178.36 3hjk h GLN 53 N 0.61 0.87 -0.03 2.37 4.15 -0.84 -0.48 115.11 121.76 3hjk h GLN 53 Ca 0.14 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 3hjk h GLN 53 Cb 0.34 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 27.83 3hjk h GLN 53 CO 0.00 0.58 0.01 0.82 -1.93 0.00 0.00 178.83 178.31 3hjk h ILE 54 N 0.90 1.18 0.00 2.39 2.04 -0.67 -0.91 117.51 122.44 3hjk h ILE 54 Ca 0.29 -0.55 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 3hjk h ILE 54 Cb 0.01 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 3hjk h ILE 54 CO -0.10 0.15 -0.18 0.24 0.00 0.00 0.00 178.15 178.25 3hjk h MET 55 N -0.17 0.00 -0.01 2.37 2.86 -0.97 -2.35 114.93 116.65 3hjk h MET 55 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3hjk h MET 55 Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 3hjk h MET 55 CO 0.00 0.18 -0.09 0.09 1.06 0.00 0.00 176.91 178.14 3hjk n ASN 56 N -3.99 1.54 -4.73 1.22 3.02 -0.21 -4.97 115.26 107.14 3hjk n ASN 56 Ca -0.02 -1.38 -0.42 0.00 -0.03 0.00 0.00 54.58 52.73 3hjk n ASN 56 Cb 0.26 0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.47 3hjk n ASN 56 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3hjk n ARG 57 N 0.05 2.74 -0.19 3.52 1.85 -0.36 -4.94 116.66 119.33 3hjk n ARG 57 Ca 0.16 0.98 -0.05 0.00 -1.00 0.00 0.00 57.85 57.95 3hjk n ARG 57 Cb 0.38 -2.80 0.05 0.00 -1.05 0.00 0.00 32.46 29.05 3hjk n ARG 57 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 3hjk h PRO 58 N 5.75 0.65 -2.22 2.89 0.13 -1.91 -3.35 132.00 133.94 3hjk h PRO 58 Ca -0.45 -0.04 -0.58 0.00 -0.87 0.00 0.00 66.00 64.06 3hjk h PRO 58 Cb 1.21 -0.15 -0.42 0.00 0.13 0.00 0.00 31.00 31.78 3hjk h PRO 58 CO 0.87 0.43 -0.68 0.09 -0.23 0.00 0.00 178.00 178.48 3hjk n ASN 59 N -4.77 3.79 -4.70 1.44 3.02 -1.26 -5.08 115.26 107.70 3hjk n ASN 59 Ca 0.05 -3.51 -0.44 0.00 -0.03 0.00 0.00 54.58 50.65 3hjk n ASN 59 Cb 0.09 -0.61 -0.03 0.00 -0.61 0.00 0.00 39.78 38.62 3hjk n ASN 59 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3hjk n PRO 60 N 0.26 2.43 0.02 3.52 -0.04 -1.26 -4.86 135.00 135.07 3hjk n PRO 60 Ca 0.30 0.88 0.11 0.00 -0.04 0.00 0.00 63.50 64.74 3hjk n PRO 60 Cb 0.42 -2.66 0.02 0.00 -0.04 0.00 0.00 33.50 31.24 3hjk n PRO 60 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3hjk n GLN 61 N 3.33 0.25 -3.80 0.54 1.13 -1.26 -4.86 117.38 112.71 3hjk n GLN 61 Ca 0.15 -0.01 -0.14 0.00 -1.94 0.00 0.00 57.00 55.06 3hjk n GLN 61 Cb 0.32 -1.57 -0.15 0.00 0.11 0.00 0.00 30.24 28.95 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 -3.17 -0.04 -0.16 5.09 1.01 -1.26 -5.07 120.40 116.80 3hjk s VAL 62 Ca 0.04 0.13 -0.23 0.00 0.00 0.00 0.00 61.98 61.92 3hjk s VAL 62 Cb 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 36.38 36.41 3hjk s VAL 62 CO 0.80 0.06 0.74 -1.61 0.00 0.00 0.00 175.10 175.09 3hjk s GLU 63 N 0.71 4.30 -0.14 2.72 8.01 -1.26 -4.89 118.70 128.14 3hjk s GLU 63 Ca -0.06 0.86 0.12 0.00 0.01 0.00 0.00 54.97 55.90 3hjk s GLU 63 Cb -0.08 -3.55 -0.17 0.00 -4.31 0.00 0.00 34.13 26.02 3hjk s GLU 63 CO -0.02 -0.22 0.04 -0.11 0.01 0.00 0.00 175.26 174.95 3hjk n LEU 64 N 4.90 0.18 0.00 1.80 7.94 -1.26 -5.11 117.00 125.44 3hjk n LEU 64 Ca 0.01 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 3hjk n LEU 64 Cb 0.50 0.29 0.00 0.00 0.53 0.00 0.00 43.42 44.73 3hjk n LEU 64 CO 0.47 0.37 0.00 0.61 -1.11 0.00 0.00 177.39 177.73 3hjk n GLY 65 N 2.17 -2.47 3.77 -3.96 0.00 -1.26 -4.85 105.19 98.59 3hjk n GLY 65 Ca -0.23 -1.60 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.89 3.97 0.06 1.61 0.04 -1.26 -4.98 135.00 133.56 3hjk s PRO 66 Ca 0.00 2.24 0.01 0.00 0.04 0.00 0.00 61.00 63.30 3hjk s PRO 66 Cb 0.00 -2.79 -0.03 0.00 0.04 0.00 0.00 34.50 31.72 3hjk s PRO 66 CO 0.00 -0.52 -0.06 0.14 0.04 0.00 0.00 177.00 176.60 3hjk s VAL 67 N -1.23 0.49 0.00 -0.36 -7.23 -1.26 -5.16 120.40 105.65 3hjk s VAL 67 Ca 0.56 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 59.30 3hjk s VAL 67 Cb -0.40 -1.03 0.00 0.00 0.56 0.00 0.00 36.38 35.51 3hjk s VAL 67 CO 0.52 -0.64 0.00 -0.90 -0.31 0.00 0.00 175.10 173.77 3hjk n ASP 68 N 0.81 0.00 -0.07 4.85 5.68 -1.26 -4.96 116.55 121.60 3hjk n ASP 68 Ca -0.18 -0.89 0.15 0.00 -0.50 0.00 0.00 54.79 53.37 3hjk n ASP 68 Cb 0.58 0.00 0.80 0.00 -1.14 0.00 0.00 41.12 41.35 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 0.00 0.00 0.31 2.12 -2.24 -1.26 -3.51 114.28 109.71 3hjk n THR 69 Ca 0.00 -0.04 0.13 0.00 -2.27 0.00 0.00 64.05 61.88 3hjk n THR 69 Cb 0.00 -0.32 0.36 0.00 -2.10 0.00 0.00 70.33 68.27 3hjk n THR 69 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3hjk h SER 70 N 0.36 0.00 -2.62 3.42 4.64 -2.03 -3.44 113.55 113.88 3hjk h SER 70 Ca 0.00 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.87 3hjk h SER 70 Cb 0.18 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.33 3hjk h SER 70 CO 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 176.83 175.99 3hjk s ALA 72 N -2.90 3.61 0.14 0.00 0.00 -1.26 -4.46 121.76 116.90 3hjk s ALA 72 Ca 0.59 0.22 -0.12 0.00 0.00 0.00 0.00 51.96 52.65 3hjk s ALA 72 Cb -0.09 -3.62 0.01 0.00 0.00 0.00 0.00 23.12 19.42 3hjk s ALA 72 CO 0.40 -1.25 0.34 -0.48 0.00 0.00 0.00 175.76 174.78 3hjk s LEU 73 N 3.51 0.75 0.02 0.00 0.05 -1.26 -1.08 118.68 120.67 3hjk s LEU 73 Ca 0.49 -0.59 -0.07 0.00 0.05 0.00 0.00 54.13 54.00 3hjk s LEU 73 Cb -0.17 1.52 -0.00 0.00 -2.05 0.00 0.00 46.19 45.49 3hjk s LEU 73 CO 0.12 -0.87 0.14 0.68 -0.55 0.00 0.00 176.35 175.87 3hjk s VAL 74 N -3.88 0.11 -0.13 1.48 -7.23 -0.28 -1.22 120.40 109.24 3hjk s VAL 74 Ca 0.09 -0.87 0.03 0.00 -1.81 0.00 0.00 61.98 59.42 3hjk s VAL 74 Cb 0.02 -0.71 0.01 0.00 0.56 0.00 0.00 36.38 36.26 3hjk s VAL 74 CO -0.06 -0.48 -0.22 -0.22 -0.31 0.00 0.00 175.10 173.81 3hjk s LEU 75 N -1.81 2.06 0.04 1.32 2.96 0.14 -0.22 118.68 123.17 3hjk s LEU 75 Ca -0.09 -0.58 0.06 0.00 -0.22 0.00 0.00 54.13 53.30 3hjk s LEU 75 Cb -0.04 -1.40 -0.03 0.00 0.50 0.00 0.00 46.19 45.22 3hjk s LEU 75 CO -0.02 0.09 -0.12 0.00 -1.32 0.00 0.00 176.35 174.98 3hjk s ASP 77 N -1.63 6.31 0.47 0.00 -1.08 -0.08 -1.34 116.67 119.32 3hjk s ASP 77 Ca 0.17 -0.43 0.31 0.00 -0.52 0.00 0.00 52.55 52.08 3hjk s ASP 77 Cb -0.11 -2.33 1.38 0.00 -1.46 0.00 0.00 42.92 40.40 3hjk s ASP 77 CO 0.08 -0.84 1.94 -0.07 0.52 0.00 0.00 175.17 176.79 3hjk h LEU 78 N 9.82 0.00 -1.67 -1.34 3.38 -1.26 -2.96 115.31 121.28 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 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3hjk h LEU 78 CO 0.92 0.00 0.00 0.29 0.09 0.00 0.00 178.44 179.74 3hjk n LYS 79 N -2.80 2.12 -4.21 1.13 4.01 -1.25 -4.76 118.16 112.41 3hjk n LYS 79 Ca 0.00 -1.66 -0.26 0.00 -0.51 0.00 0.00 58.31 55.88 3hjk n LYS 79 Cb 0.24 -1.46 -0.08 0.00 -0.51 0.00 0.00 35.03 33.22 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 -1.80 2.40 -0.18 1.97 -0.21 -1.12 -5.05 119.66 115.68 3hjk s GLN 80 Ca 0.34 -1.12 -0.40 0.00 0.02 0.00 0.00 55.36 54.21 3hjk s GLN 80 Cb 0.20 -2.35 -0.16 0.00 1.00 0.00 0.00 33.01 31.70 3hjk s GLN 80 CO 0.30 0.45 1.60 1.17 -2.12 0.00 0.00 175.29 176.69 3hjk n LYS 81 N -0.16 1.04 -2.83 2.91 3.00 -1.26 -1.77 118.16 119.09 3hjk n LYS 81 Ca -0.10 0.38 -0.21 0.00 -0.00 0.00 0.00 58.31 58.39 3hjk n LYS 81 Cb 0.55 -2.03 0.02 0.00 0.00 0.00 0.00 35.03 33.57 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 4.33 -5.82 -3.67 3.14 2.03 -1.26 -3.99 116.55 111.31 3hjk n ASP 82 Ca 0.24 -0.21 -0.25 0.00 0.52 0.00 0.00 54.79 55.09 3hjk n ASP 82 Cb 0.13 -4.69 0.00 0.00 -0.72 0.00 0.00 41.12 35.84 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 -4.35 -2.31 -2.30 5.18 5.66 -0.73 -4.40 114.28 111.04 3hjk n THR 83 Ca -0.14 -0.15 -0.35 0.00 -3.05 0.00 0.00 64.05 60.36 3hjk n THR 83 Cb 0.63 -2.03 -0.00 0.00 -1.55 0.00 0.00 70.33 67.38 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 -5.14 3.46 0.05 1.09 0.04 -1.25 -4.50 135.00 128.77 3hjk s PRO 84 Ca 0.12 1.59 -0.31 0.00 0.04 0.00 0.00 61.00 62.44 3hjk s PRO 84 Cb -0.07 -2.05 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 3hjk s PRO 84 CO 0.71 -0.76 1.38 0.42 0.04 0.00 0.00 177.00 178.80 3hjk s ILE 85 N -1.78 3.56 -0.57 0.56 1.01 -0.25 -0.91 121.20 122.83 3hjk s ILE 85 Ca 0.71 1.05 0.06 0.00 0.00 0.00 0.00 60.65 62.47 3hjk s ILE 85 Cb -0.23 -3.67 0.01 0.00 0.01 0.00 0.00 42.46 38.57 3hjk s ILE 85 CO 0.26 0.04 0.52 1.33 0.00 0.00 0.00 174.94 177.09 3hjk n VAL 86 N 4.31 0.00 -3.64 2.92 0.24 0.11 -0.56 118.33 121.71 3hjk n VAL 86 Ca 0.12 -0.45 -0.10 0.00 -2.04 0.00 0.00 64.34 61.87 3hjk n VAL 86 Cb 0.43 1.08 -0.07 0.00 -1.47 0.00 0.00 33.84 33.81 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 -0.88 -0.78 -0.03 6.34 6.14 -1.12 -4.93 117.35 122.10 3hjk s TYR 87 Ca 0.05 1.74 0.01 0.00 0.64 0.00 0.00 57.07 59.52 3hjk s TYR 87 Cb 0.05 0.40 0.01 0.00 0.42 0.00 0.00 41.96 42.84 3hjk s TYR 87 CO 0.13 -0.38 -0.05 0.00 0.64 0.00 0.00 175.55 175.89 3hjk s ALA 88 N 0.81 0.57 0.61 3.97 0.00 -1.26 -0.69 121.76 125.78 3hjk s ALA 88 Ca -0.03 -0.10 -0.13 0.00 0.00 0.00 0.00 51.96 51.70 3hjk s ALA 88 Cb -0.05 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 3hjk s ALA 88 CO -0.08 0.04 1.03 -1.54 0.00 0.00 0.00 175.76 175.21 3hjk s SER 89 N 0.52 6.02 0.38 0.00 1.04 -0.36 -4.91 113.70 116.38 3hjk s SER 89 Ca -0.06 1.56 0.05 0.00 0.48 0.00 0.00 55.95 57.98 3hjk s SER 89 Cb -0.10 -2.49 0.74 0.00 0.10 0.00 0.00 66.02 64.27 3hjk s SER 89 CO -0.00 -1.01 2.02 -0.33 0.98 0.00 0.00 173.24 174.90 3hjk h GLU 90 N -0.06 0.70 0.00 4.02 5.08 -1.87 -0.61 114.58 121.84 3hjk h GLU 90 Ca -0.45 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 57.83 3hjk h GLU 90 Cb 1.20 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 3hjk h GLU 90 CO 0.60 0.46 -0.16 0.00 -1.00 0.00 0.00 179.01 178.91 3hjk h ALA 91 N 1.66 1.49 -0.10 3.43 0.00 -1.81 -0.09 119.26 123.84 3hjk h ALA 91 Ca 0.22 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3hjk h ALA 91 Cb -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3hjk h ALA 91 CO -0.05 0.20 -0.25 0.35 0.00 0.00 0.00 179.25 179.50 3hjk h PHE 92 N 0.00 0.45 -0.86 0.00 3.57 -1.36 -1.19 116.94 117.55 3hjk h PHE 92 Ca -0.00 -0.17 -0.02 0.00 3.53 0.00 0.00 57.97 61.30 3hjk h PHE 92 Cb 0.34 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.96 3hjk h PHE 92 CO 0.00 0.87 0.45 -0.07 -2.23 0.00 0.00 178.31 177.33 3hjk h LEU 93 N -0.10 1.10 -0.23 0.59 3.38 -1.02 -1.62 115.31 117.41 3hjk h LEU 93 Ca -0.00 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 3hjk h LEU 93 Cb 0.86 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3hjk h LEU 93 CO 0.06 0.90 -0.03 0.22 0.09 0.00 0.00 178.44 179.68 3hjk h TYR 94 N 1.21 0.47 -1.00 1.13 -0.00 -1.02 0.21 116.97 117.97 3hjk h TYR 94 Ca 0.30 -0.09 0.02 0.00 -0.00 0.00 0.00 58.73 58.96 3hjk h TYR 94 Cb 0.07 -0.12 -0.05 0.00 -0.00 0.00 0.00 36.73 36.63 3hjk h TYR 94 CO 0.01 0.63 0.66 1.98 -0.00 0.00 0.00 178.16 181.44 3hjk h MET 95 N 0.17 1.30 0.00 1.82 4.05 -0.95 -3.07 114.93 118.25 3hjk h MET 95 Ca 0.06 -0.08 -0.19 0.00 -0.28 0.00 0.00 59.70 59.21 3hjk h MET 95 Cb 0.46 -0.29 -0.03 0.00 -0.80 0.00 0.00 31.60 30.93 3hjk h MET 95 CO 0.02 0.86 -1.40 1.79 0.23 0.00 0.00 176.91 178.40 3hjk h THR 96 N 1.34 0.62 0.00 -0.77 1.35 -1.26 -3.47 112.91 110.72 3hjk h THR 96 Ca 0.38 -2.18 0.00 0.00 -0.55 0.00 0.00 66.41 64.05 3hjk h THR 96 Cb -0.12 2.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 3hjk h THR 96 CO -0.09 0.35 0.00 0.61 -0.25 0.00 0.00 175.52 176.14 3hjk n GLY 97 N 1.41 0.90 3.90 5.82 0.00 0.72 0.22 105.19 118.16 3hjk n GLY 97 Ca -0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.71 3.48 0.67 1.61 1.51 -1.14 -4.68 117.35 116.09 3hjk s TYR 98 Ca 0.00 0.72 -0.01 0.00 -1.01 0.00 0.00 57.07 56.77 3hjk s TYR 98 Cb 0.00 -2.18 0.09 0.00 -0.11 0.00 0.00 41.96 39.76 3hjk s TYR 98 CO 0.00 0.07 0.93 -1.54 -1.11 0.00 0.00 175.55 173.90 3hjk s SER 99 N -3.31 4.70 0.12 2.29 1.04 -1.26 -4.55 113.70 112.72 3hjk s SER 99 Ca 0.46 -0.10 -0.16 0.00 0.48 0.00 0.00 55.95 56.63 3hjk s SER 99 Cb -0.10 -0.49 -0.02 0.00 0.10 0.00 0.00 66.02 65.51 3hjk s SER 99 CO 0.32 -1.60 1.61 0.78 0.98 0.00 0.00 173.24 175.32 3hjk h ASN 100 N -0.37 0.59 -0.04 7.02 2.35 -1.98 -2.33 115.58 120.82 3hjk h ASN 100 Ca -0.40 -0.25 0.01 0.00 -0.55 0.00 0.00 56.30 55.11 3hjk h ASN 100 Cb 1.28 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 39.50 3hjk h ASN 100 CO 0.47 0.69 0.03 0.00 -1.65 0.00 0.00 177.43 176.96 3hjk h ALA 101 N 0.92 2.01 0.00 -0.83 0.00 -1.95 -0.76 119.26 118.66 3hjk h ALA 101 Ca 0.12 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3hjk h ALA 101 Cb 0.34 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3hjk h ALA 101 CO 0.01 -0.02 -0.52 0.93 0.00 0.00 0.00 179.25 179.64 3hjk h GLU 102 N 0.02 0.00 0.00 0.00 5.08 -1.84 -3.39 114.58 114.45 3hjk h GLU 102 Ca 0.02 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.09 3hjk h GLU 102 Cb 0.04 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 3hjk h GLU 102 CO -0.00 0.12 -2.07 1.33 -1.00 0.00 0.00 179.01 177.39 3hjk n VAL 103 N -2.98 1.07 -1.72 3.13 0.24 -0.84 -4.89 118.33 112.34 3hjk n VAL 103 Ca 0.01 -0.53 -0.42 0.00 -2.04 0.00 0.00 64.34 61.35 3hjk n VAL 103 Cb 0.61 -0.88 -0.01 0.00 -1.47 0.00 0.00 33.84 32.08 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 -2.81 3.96 0.00 1.34 4.32 -0.35 -2.23 117.00 121.24 3hjk n LEU 104 Ca -0.29 1.17 0.00 0.00 -0.02 0.00 0.00 56.01 56.87 3hjk n LEU 104 Cb 0.93 -1.54 0.00 0.00 -1.62 0.00 0.00 43.42 41.19 3hjk n LEU 104 CO 0.26 -0.13 0.00 0.61 -1.22 0.00 0.00 177.39 176.90 3hjk n GLY 105 N 1.57 0.92 3.64 -0.72 0.00 0.27 -4.95 105.19 105.93 3hjk n GLY 105 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.13 2.33 0.21 1.61 3.00 -0.95 -4.71 118.95 120.32 3hjk s ARG 106 Ca 0.00 -1.03 -0.30 0.00 0.00 0.00 0.00 55.73 54.40 3hjk s ARG 106 Cb 0.00 -2.37 -0.08 0.00 0.00 0.00 0.00 34.95 32.50 3hjk s ARG 106 CO 0.00 0.49 1.07 1.21 0.00 0.00 0.00 175.30 178.07 3hjk s ASN 107 N -2.57 7.33 0.26 0.23 3.84 -1.26 -1.08 114.94 121.68 3hjk s ASN 107 Ca 0.25 2.11 0.12 0.00 0.21 0.00 0.00 52.86 55.55 3hjk s ASN 107 Cb -0.10 -2.61 0.64 0.00 -0.55 0.00 0.00 41.25 38.63 3hjk s ASN 107 CO 0.17 -0.14 1.26 0.00 -2.79 0.00 0.00 177.10 175.60 3hjk n ARG 109 N -1.95 0.14 0.24 0.00 1.85 -1.26 -2.54 116.66 113.14 3hjk n ARG 109 Ca -0.01 0.62 0.14 0.00 -1.00 0.00 0.00 57.85 57.60 3hjk n ARG 109 Cb 0.25 -1.94 0.81 0.00 -1.05 0.00 0.00 32.46 30.52 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 -1.85 -0.52 116.94 112.31 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 0.03 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.20 3hjk h PHE 110 CO 0.00 0.00 0.00 -0.07 -2.00 0.00 0.00 178.31 176.24 3hjk h LEU 111 N 0.00 0.00 0.00 2.10 3.38 -1.80 -2.81 115.31 116.18 3hjk h LEU 111 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hjk h LEU 111 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3hjk h LEU 111 CO -0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3hjk n GLN 112 N -2.56 0.84 -3.89 1.13 6.02 -0.20 0.35 117.38 119.06 3hjk n GLN 112 Ca -0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.84 3hjk n GLN 112 Cb 0.12 -1.39 -0.15 0.00 1.02 0.00 0.00 30.24 29.85 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 -1.81 0.19 0.62 1.08 0.15 -1.06 -4.72 113.70 108.15 3hjk s SER 113 Ca 0.31 -0.01 0.32 0.00 0.70 0.00 0.00 55.95 57.28 3hjk s SER 113 Cb 0.14 -0.08 1.82 0.00 -1.71 0.00 0.00 66.02 66.19 3hjk s SER 113 CO 0.24 -0.05 2.13 1.55 1.20 0.00 0.00 173.24 178.31 3hjk h PRO 114 N 6.72 0.00 -0.19 5.44 0.13 -1.86 0.44 132.00 142.68 3hjk h PRO 114 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3hjk h PRO 114 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3hjk h PRO 114 CO 0.49 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.86 3hjk n ASP 115 N -3.51 3.01 -2.04 1.44 3.85 -1.26 -4.37 116.55 113.67 3hjk n ASP 115 Ca -0.00 -1.95 -0.20 0.00 -0.71 0.00 0.00 54.79 51.93 3hjk n ASP 115 Cb 0.27 -0.11 -0.04 0.00 -1.35 0.00 0.00 41.12 39.90 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 1.39 0.34 3.06 6.12 0.00 0.15 -4.96 105.19 111.30 3hjk n GLY 116 Ca 0.17 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.56 1.84 -0.25 1.61 -1.94 -1.26 -4.79 119.30 109.94 3hjk s MET 117 Ca 0.00 -1.99 -0.01 0.00 -1.71 0.00 0.00 55.69 51.98 3hjk s MET 117 Cb 0.00 -3.42 0.08 0.00 2.01 0.00 0.00 34.83 33.50 3hjk s MET 117 CO 0.00 -1.03 0.05 0.08 -0.01 0.00 0.00 175.02 174.11 3hjk s VAL 118 N 0.79 0.84 0.28 -6.03 1.01 -1.26 -4.86 120.40 111.17 3hjk s VAL 118 Ca 0.11 -1.04 -0.29 0.00 0.00 0.00 0.00 61.98 60.76 3hjk s VAL 118 Cb -0.21 -1.44 -0.09 0.00 0.00 0.00 0.00 36.38 34.64 3hjk s VAL 118 CO -0.05 -0.40 1.01 -0.54 0.00 0.00 0.00 175.10 175.12 3hjk s LYS 119 N 1.68 4.69 0.70 2.72 -0.14 -1.26 -4.79 119.74 123.34 3hjk s LYS 119 Ca 0.03 1.59 -0.16 0.00 -1.36 0.00 0.00 55.97 56.07 3hjk s LYS 119 Cb -0.17 -3.13 -0.01 0.00 -1.68 0.00 0.00 37.83 32.84 3hjk s LYS 119 CO -0.15 0.33 0.98 -2.30 -0.76 0.00 0.00 175.35 173.45 3hjk n PRO 120 N 1.15 0.61 -0.05 -1.68 -0.02 -1.26 -2.14 135.00 131.62 3hjk n PRO 120 Ca -0.01 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 3hjk n PRO 120 Cb 0.47 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 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 -1.70 0.00 -2.35 -0.52 4.76 -1.26 -4.95 118.16 112.13 3hjk n LYS 121 Ca 0.13 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.22 3hjk n LYS 121 Cb 0.49 -3.09 -0.01 0.00 -1.84 0.00 0.00 35.03 30.57 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 -2.74 5.98 -0.35 4.39 1.04 -0.91 -4.98 113.70 116.14 3hjk s SER 122 Ca 0.00 2.11 -0.27 0.00 0.48 0.00 0.00 55.95 58.27 3hjk s SER 122 Cb 0.00 -2.58 0.01 0.00 0.10 0.00 0.00 66.02 63.56 3hjk s SER 122 CO 0.00 -1.04 0.97 -0.89 0.98 0.00 0.00 173.24 173.26 3hjk s THR 123 N -1.81 4.57 0.31 2.02 2.01 -1.26 -5.00 115.64 116.47 3hjk s THR 123 Ca 0.70 1.40 -0.28 0.00 0.31 0.00 0.00 61.69 63.82 3hjk s THR 123 Cb -0.22 -4.35 -0.09 0.00 0.01 0.00 0.00 72.50 67.84 3hjk s THR 123 CO 0.25 -0.50 1.12 -0.13 -0.69 0.00 0.00 174.62 174.68 3hjk s ARG 124 N 3.52 4.50 0.00 4.92 3.00 -1.26 -4.94 118.95 128.68 3hjk s ARG 124 Ca 0.41 1.82 0.24 0.00 0.00 0.00 0.00 55.73 58.20 3hjk s ARG 124 Cb -0.12 -3.05 0.32 0.00 0.00 0.00 0.00 34.95 32.10 3hjk s ARG 124 CO 0.17 0.08 1.29 0.36 0.00 0.00 0.00 175.30 177.20 3hjk n LYS 125 N 0.89 0.78 0.00 3.54 0.00 -1.26 -4.26 118.16 117.85 3hjk n LYS 125 Ca 0.00 -0.56 0.00 0.00 -0.00 0.00 0.00 58.31 57.75 3hjk n LYS 125 Cb 0.45 -1.49 0.00 0.00 -0.00 0.00 0.00 35.03 33.99 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 -0.62 0.00 -5.11 5.58 4.01 -1.26 -5.04 117.16 114.72 3hjk n TYR 126 Ca 0.09 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.54 3hjk n TYR 126 Cb 0.39 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.26 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 -0.49 1.82 -0.06 -0.72 1.01 -1.26 -4.80 120.40 115.91 3hjk s VAL 127 Ca 0.00 -0.94 -0.35 0.00 0.00 0.00 0.00 61.98 60.69 3hjk s VAL 127 Cb 0.00 -1.55 -0.13 0.00 0.00 0.00 0.00 36.38 34.70 3hjk s VAL 127 CO 0.00 0.51 1.76 -0.67 0.00 0.00 0.00 175.10 176.70 3hjk n ASP 128 N 3.00 3.05 -0.10 3.32 -0.08 -1.26 -4.62 116.55 119.87 3hjk n ASP 128 Ca -0.18 1.02 -0.02 0.00 -1.51 0.00 0.00 54.79 54.11 3hjk n ASP 128 Cb 0.52 -1.33 0.23 0.00 2.34 0.00 0.00 41.12 42.89 3hjk n ASP 128 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 3hjk h SER 129 N 7.84 0.69 -0.42 1.67 0.02 -1.99 -2.17 113.55 119.19 3hjk h SER 129 Ca -0.47 -0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 60.29 3hjk h SER 129 Cb 1.28 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.62 3hjk h SER 129 CO 0.93 0.68 -0.00 -1.13 -1.14 0.00 0.00 176.83 176.17 3hjk h ASN 130 N 0.72 0.78 0.31 3.07 -1.24 -1.98 -0.45 115.58 116.80 3hjk h ASN 130 Ca 0.16 -0.19 -0.02 0.00 0.71 0.00 0.00 56.30 56.96 3hjk h ASN 130 Cb 0.27 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.11 3hjk h ASN 130 CO -0.00 0.85 -0.15 0.74 -1.29 0.00 0.00 177.43 177.58 3hjk h THR 131 N 0.76 0.70 -0.82 -3.57 2.02 -1.81 0.15 112.91 110.34 3hjk h THR 131 Ca 0.15 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.28 3hjk h THR 131 Cb 0.46 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 3hjk h THR 131 CO 0.02 0.01 0.55 0.40 0.37 0.00 0.00 175.52 176.87 3hjk h ILE 132 N -0.45 1.20 -0.34 3.11 2.04 -1.25 -1.26 117.51 120.56 3hjk h ILE 132 Ca -0.04 -0.38 -0.09 0.00 1.00 0.00 0.00 64.86 65.35 3hjk h ILE 132 Cb 0.34 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 3hjk h ILE 132 CO 0.07 0.20 -0.18 -1.13 0.00 0.00 0.00 178.15 177.12 3hjk h ASN 133 N 1.10 0.63 -0.12 1.72 -1.24 -0.60 -1.60 115.58 115.47 3hjk h ASN 133 Ca 0.30 -0.20 -0.00 0.00 0.71 0.00 0.00 56.30 57.12 3hjk h ASN 133 Cb -0.11 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 38.77 3hjk h ASN 133 CO -0.07 0.81 0.06 0.74 -1.29 0.00 0.00 177.43 177.69 3hjk h THR 134 N 0.57 1.09 -0.05 -3.57 2.02 0.38 -1.24 112.91 112.11 3hjk h THR 134 Ca 0.09 -0.26 0.01 0.00 0.77 0.00 0.00 66.41 67.02 3hjk h THR 134 Cb 0.62 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 3hjk h THR 134 CO 0.04 0.08 -0.03 0.24 0.37 0.00 0.00 175.52 176.23 3hjk h MET 135 N 0.09 -0.03 -0.37 6.66 2.86 -1.14 -1.44 114.93 121.56 3hjk h MET 135 Ca 0.04 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.76 3hjk h MET 135 Cb 0.08 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.67 3hjk h MET 135 CO -0.01 -0.02 -0.11 -0.09 1.06 0.00 0.00 176.91 177.74 3hjk h ARG 136 N -0.03 -0.02 -0.41 1.72 2.43 -1.08 0.28 114.38 117.26 3hjk h ARG 136 Ca 0.03 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 3hjk h ARG 136 Cb 0.08 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3hjk h ARG 136 CO -0.07 -0.02 -0.15 0.87 -1.51 0.00 0.00 179.97 179.09 3hjk h LYS 137 N -0.02 0.83 -0.31 0.20 1.57 -1.08 -1.35 116.57 116.41 3hjk h LYS 137 Ca 0.18 -0.34 0.04 0.00 -1.87 0.00 0.00 60.65 58.66 3hjk h LYS 137 Cb 0.30 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 3hjk h LYS 137 CO -0.39 0.97 0.09 0.00 -0.57 0.00 0.00 179.45 179.55 3hjk h ALA 138 N 0.84 0.35 -0.84 3.86 0.00 -0.88 -0.88 119.26 121.71 3hjk h ALA 138 Ca 0.10 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hjk h ALA 138 Cb 0.69 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 3hjk h ALA 138 CO 0.05 -0.31 0.51 0.82 0.00 0.00 0.00 179.25 180.32 3hjk h ILE 139 N 0.22 1.23 0.00 0.00 2.04 -0.82 -0.32 117.51 119.86 3hjk h ILE 139 Ca 0.14 -0.50 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 3hjk h ILE 139 Cb 0.13 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.25 3hjk h ILE 139 CO -0.16 0.24 -0.27 0.44 0.00 0.00 0.00 178.15 178.40 3hjk h ASP 140 N 1.15 0.00 -0.39 1.72 3.45 -0.59 -2.93 116.42 118.83 3hjk h ASP 140 Ca 0.30 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.76 3hjk h ASP 140 Cb -0.05 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.72 3hjk h ASP 140 CO -0.06 0.27 0.00 0.54 -1.57 0.00 0.00 179.24 178.42 3hjk n ARG 141 N -4.19 2.48 -3.77 3.56 1.74 -0.40 -4.95 116.66 111.13 3hjk n ARG 141 Ca -0.02 -2.24 -0.27 0.00 -0.77 0.00 0.00 57.85 54.55 3hjk n ARG 141 Cb 0.32 -1.51 0.05 0.00 -1.02 0.00 0.00 32.46 30.30 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 1.44 -5.28 -4.63 0.55 3.02 -0.50 -4.96 115.26 104.90 3hjk n ASN 142 Ca 0.19 -0.68 -0.35 0.00 -0.03 0.00 0.00 54.58 53.72 3hjk n ASN 142 Cb 0.59 -4.38 -0.10 0.00 -0.61 0.00 0.00 39.78 35.29 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 -3.32 3.24 0.40 5.41 0.00 -0.25 -4.78 121.76 122.46 3hjk s ALA 143 Ca 0.60 -0.79 -0.27 0.00 0.00 0.00 0.00 51.96 51.50 3hjk s ALA 143 Cb -0.29 -1.59 -0.09 0.00 0.00 0.00 0.00 23.12 21.15 3hjk s ALA 143 CO 0.79 0.41 1.39 -1.21 0.00 0.00 0.00 175.76 177.14 3hjk s GLU 144 N -0.31 3.96 0.06 0.00 2.02 -1.26 -4.47 118.70 118.70 3hjk s GLU 144 Ca 0.07 2.36 -0.10 0.00 0.02 0.00 0.00 54.97 57.31 3hjk s GLU 144 Cb -0.12 -2.82 0.01 0.00 0.10 0.00 0.00 34.13 31.29 3hjk s GLU 144 CO 0.02 -0.57 0.22 0.54 0.02 0.00 0.00 175.26 175.49 3hjk s VAL 145 N -1.19 0.11 -0.06 2.63 0.11 -0.97 -4.97 120.40 116.07 3hjk s VAL 145 Ca 0.56 -0.95 -0.02 0.00 -2.93 0.00 0.00 61.98 58.64 3hjk s VAL 145 Cb -0.42 -1.07 0.04 0.00 -1.53 0.00 0.00 36.38 33.39 3hjk s VAL 145 CO 0.55 -0.52 0.12 -1.58 -3.33 0.00 0.00 175.10 170.34 3hjk s GLN 146 N -3.06 0.05 0.20 1.54 0.74 -1.26 -1.27 119.66 116.60 3hjk s GLN 146 Ca -0.01 0.36 -0.08 0.00 0.05 0.00 0.00 55.36 55.68 3hjk s GLN 146 Cb 0.01 -0.22 -0.02 0.00 1.10 0.00 0.00 33.01 33.88 3hjk s GLN 146 CO -0.07 -0.19 0.29 0.14 -0.55 0.00 0.00 175.29 174.92 3hjk s VAL 147 N 1.32 0.03 -0.20 1.34 -7.23 0.71 -4.99 120.40 111.38 3hjk s VAL 147 Ca -0.07 -1.60 -0.02 0.00 -1.81 0.00 0.00 61.98 58.48 3hjk s VAL 147 Cb -0.12 -2.16 -0.00 0.00 0.56 0.00 0.00 36.38 34.65 3hjk s VAL 147 CO -0.05 -0.12 -0.10 -1.61 -0.31 0.00 0.00 175.10 172.91 3hjk s GLU 148 N -4.04 3.28 -0.03 4.82 2.02 -1.26 0.42 118.70 123.91 3hjk s GLU 148 Ca 0.26 -0.69 0.03 0.00 0.02 0.00 0.00 54.97 54.58 3hjk s GLU 148 Cb 0.03 -2.84 0.00 0.00 0.10 0.00 0.00 34.13 31.42 3hjk s GLU 148 CO 0.07 -0.14 -0.10 0.54 0.02 0.00 0.00 175.26 175.64 3hjk s VAL 149 N 1.27 0.86 0.12 2.63 0.11 -0.03 -4.92 120.40 120.43 3hjk s VAL 149 Ca 0.03 -0.40 -0.31 0.00 -2.93 0.00 0.00 61.98 58.37 3hjk s VAL 149 Cb -0.14 -0.76 -0.08 0.00 -1.53 0.00 0.00 36.38 33.87 3hjk s VAL 149 CO -0.05 0.26 1.36 -0.69 -3.33 0.00 0.00 175.10 172.66 3hjk s VAL 150 N 0.17 3.37 0.23 2.04 1.01 -1.26 -0.65 120.40 125.31 3hjk s VAL 150 Ca -0.03 1.00 0.01 0.00 0.00 0.00 0.00 61.98 62.96 3hjk s VAL 150 Cb -0.09 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 3hjk s VAL 150 CO 0.01 0.09 0.07 0.20 0.00 0.00 0.00 175.10 175.46 3hjk s ASN 151 N 0.99 1.10 -0.01 3.32 0.02 -0.36 -4.57 114.94 115.44 3hjk s ASN 151 Ca 0.63 -1.32 0.02 0.00 -1.02 0.00 0.00 52.86 51.17 3hjk s ASN 151 Cb -0.36 0.17 -0.00 0.00 0.02 0.00 0.00 41.25 41.08 3hjk s ASN 151 CO 0.31 -0.69 -0.07 -0.36 0.02 0.00 0.00 177.10 176.32 3hjk s PHE 152 N -3.76 0.64 0.79 2.20 0.08 0.15 -1.30 117.98 116.78 3hjk s PHE 152 Ca 0.33 -0.13 -0.12 0.00 0.12 0.00 0.00 56.93 57.14 3hjk s PHE 152 Cb 0.07 -0.44 0.06 0.00 -0.57 0.00 0.00 43.02 42.15 3hjk s PHE 152 CO 0.10 -0.04 1.16 0.15 -0.10 0.00 0.00 175.22 176.50 3hjk s LYS 153 N -0.01 2.16 0.43 0.44 1.02 -0.25 -4.78 119.74 118.76 3hjk s LYS 153 Ca 0.01 0.20 0.18 0.00 0.02 0.00 0.00 55.97 56.38 3hjk s LYS 153 Cb -0.04 -1.97 1.11 0.00 -0.52 0.00 0.00 37.83 36.41 3hjk s LYS 153 CO -0.00 -1.47 1.87 -0.22 -0.92 0.00 0.00 175.35 174.61 3hjk h LYS 154 N -0.97 0.37 -0.11 1.68 3.64 -0.51 0.37 116.57 121.04 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 1.31 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 3hjk h LYS 154 CO 0.65 0.24 0.00 0.27 -2.27 0.00 0.00 179.45 178.35 3hjk n ASN 155 N -4.49 0.86 0.00 4.20 2.04 -1.26 -4.88 115.26 111.73 3hjk n ASN 155 Ca 0.18 -1.70 0.00 0.00 -0.44 0.00 0.00 54.58 52.62 3hjk n ASN 155 Cb 0.67 -0.07 0.00 0.00 -2.53 0.00 0.00 39.78 37.85 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 0.90 0.73 3.65 4.83 0.00 0.13 -5.03 105.19 110.41 3hjk n GLY 156 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.59 4.08 0.37 1.61 0.74 -1.25 -4.64 119.66 119.97 3hjk s GLN 157 Ca 0.00 2.06 -0.26 0.00 0.05 0.00 0.00 55.36 57.21 3hjk s GLN 157 Cb 0.00 -4.00 -0.09 0.00 1.10 0.00 0.00 33.01 30.02 3hjk s GLN 157 CO 0.00 -0.97 1.09 0.50 -0.55 0.00 0.00 175.29 175.37 3hjk s ARG 158 N 4.21 4.27 0.16 1.67 3.52 -1.26 -1.09 118.95 130.43 3hjk s ARG 158 Ca 0.73 1.68 -0.21 0.00 -0.13 0.00 0.00 55.73 57.80 3hjk s ARG 158 Cb -0.31 -2.76 0.06 0.00 -1.56 0.00 0.00 34.95 30.38 3hjk s ARG 158 CO 0.29 -0.09 0.56 -0.59 -0.81 0.00 0.00 175.30 174.66 3hjk s PHE 159 N -1.45 -0.45 -0.26 5.12 -0.71 -0.42 -4.96 117.98 114.85 3hjk s PHE 159 Ca 0.54 0.21 -0.14 0.00 -1.04 0.00 0.00 56.93 56.49 3hjk s PHE 159 Cb -0.27 0.49 -0.04 0.00 -1.21 0.00 0.00 43.02 41.99 3hjk s PHE 159 CO 0.34 -0.83 0.34 0.08 -1.34 0.00 0.00 175.22 173.82 3hjk s VAL 160 N -3.77 5.20 -0.34 -2.49 1.01 -1.26 -1.22 120.40 117.53 3hjk s VAL 160 Ca 0.02 0.52 -0.14 0.00 0.00 0.00 0.00 61.98 62.37 3hjk s VAL 160 Cb -0.00 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 3hjk s VAL 160 CO -0.12 0.18 0.32 0.21 0.00 0.00 0.00 175.10 175.69 3hjk s ASN 161 N 1.59 6.14 -0.67 3.32 3.84 0.17 -0.85 114.94 128.47 3hjk s ASN 161 Ca 0.14 -0.28 -0.24 0.00 0.21 0.00 0.00 52.86 52.68 3hjk s ASN 161 Cb -0.16 -2.18 0.05 0.00 -0.55 0.00 0.00 41.25 38.42 3hjk s ASN 161 CO 0.10 -0.30 1.08 0.12 -2.79 0.00 0.00 177.10 175.31 3hjk s PHE 162 N 1.92 2.54 -0.16 0.43 5.99 0.57 -0.86 117.98 128.42 3hjk s PHE 162 Ca 0.10 -0.29 -0.05 0.00 0.00 0.00 0.00 56.93 56.68 3hjk s PHE 162 Cb -0.17 -4.40 -0.03 0.00 0.00 0.00 0.00 43.02 38.42 3hjk s PHE 162 CO 0.11 -1.77 0.02 -1.17 -0.00 0.00 0.00 175.22 172.41 3hjk s LEU 163 N 4.67 3.60 -0.10 6.12 2.96 0.17 -2.10 118.68 134.00 3hjk s LEU 163 Ca 0.28 0.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.24 3hjk s LEU 163 Cb -0.13 -1.88 0.01 0.00 0.50 0.00 0.00 46.19 44.69 3hjk s LEU 163 CO 0.13 0.20 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.29 3hjk s THR 164 N 0.17 1.69 -0.11 3.68 2.01 -0.80 -0.21 115.64 122.07 3hjk s THR 164 Ca 0.02 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.27 3hjk s THR 164 Cb -0.13 -1.50 -0.00 0.00 0.01 0.00 0.00 72.50 70.88 3hjk s THR 164 CO 0.01 0.48 -0.21 -0.04 -0.69 0.00 0.00 174.62 174.17 3hjk s MET 165 N 0.68 3.13 -0.09 4.92 -1.94 -0.40 -0.39 119.30 125.22 3hjk s MET 165 Ca -0.12 -0.83 0.01 0.00 -1.71 0.00 0.00 55.69 53.04 3hjk s MET 165 Cb -0.16 -2.40 0.02 0.00 2.01 0.00 0.00 34.83 34.29 3hjk s MET 165 CO 0.03 0.16 -0.12 0.42 -0.01 0.00 0.00 175.02 175.50 3hjk s ILE 166 N 0.40 1.24 0.44 2.53 -1.09 -0.20 -2.28 121.20 122.25 3hjk s ILE 166 Ca -0.16 -0.49 -0.24 0.00 -2.23 0.00 0.00 60.65 57.53 3hjk s ILE 166 Cb -0.17 -1.16 -0.08 0.00 -1.58 0.00 0.00 42.46 39.47 3hjk s ILE 166 CO 0.07 0.39 1.18 -2.16 -1.23 0.00 0.00 174.94 173.18 3hjk s PRO 167 N 1.01 3.84 -0.02 2.79 0.04 -1.26 -0.85 135.00 140.55 3hjk s PRO 167 Ca -0.07 1.82 0.06 0.00 0.04 0.00 0.00 61.00 62.84 3hjk s PRO 167 Cb -0.15 -2.49 -0.01 0.00 0.04 0.00 0.00 34.50 31.89 3hjk s PRO 167 CO -0.01 -0.50 -0.19 0.08 0.04 0.00 0.00 177.00 176.43 3hjk s VAL 168 N -1.49 1.48 -0.09 -0.36 1.01 0.17 -4.87 120.40 116.25 3hjk s VAL 168 Ca 0.62 -0.79 -0.14 0.00 0.00 0.00 0.00 61.98 61.66 3hjk s VAL 168 Cb -0.30 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 3hjk s VAL 168 CO 0.37 0.42 0.34 -0.13 0.00 0.00 0.00 175.10 176.10 3hjk s ARG 169 N -0.34 4.06 0.00 2.72 0.52 -1.26 -1.34 118.95 123.31 3hjk s ARG 169 Ca 0.05 0.23 0.00 0.00 -0.52 0.00 0.00 55.73 55.49 3hjk s ARG 169 Cb -0.08 -3.33 0.00 0.00 0.52 0.00 0.00 34.95 32.06 3hjk s ARG 169 CO -0.00 0.45 0.00 -0.40 0.02 0.00 0.00 175.30 175.37 3hjk n ASP 170 N 2.79 0.00 0.32 0.23 5.68 -1.02 -4.87 116.55 119.69 3hjk n ASP 170 Ca -0.13 -0.38 0.20 0.00 -0.50 0.00 0.00 54.79 53.99 3hjk n ASP 170 Cb 0.52 0.00 1.11 0.00 -1.14 0.00 0.00 41.12 41.61 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 -1.98 -1.45 114.58 115.65 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 1.79 -1.16 0.00 0.00 179.01 179.64 3hjk h THR 172 N 0.00 0.00 0.00 1.13 1.35 -2.03 -3.46 112.91 109.90 3hjk h THR 172 Ca 0.00 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3hjk h THR 172 Cb 0.06 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 3hjk h THR 172 CO -0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3hjk n GLY 173 N 0.96 0.63 3.89 5.82 0.00 -0.55 -5.06 105.19 110.88 3hjk n GLY 173 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.79 3.19 0.02 1.61 2.02 -1.26 -4.83 118.70 118.66 3hjk s GLU 174 Ca 0.00 -0.82 -0.30 0.00 0.02 0.00 0.00 54.97 53.87 3hjk s GLU 174 Cb 0.00 -2.77 -0.07 0.00 0.10 0.00 0.00 34.13 31.38 3hjk s GLU 174 CO 0.00 0.46 1.74 0.71 0.02 0.00 0.00 175.26 178.19 3hjk s TYR 175 N -1.90 1.94 0.00 1.61 2.02 -1.26 -2.42 117.35 117.34 3hjk s TYR 175 Ca 0.33 0.06 0.00 0.00 -0.37 0.00 0.00 57.07 57.09 3hjk s TYR 175 Cb -0.09 -4.03 0.00 0.00 -0.40 0.00 0.00 41.96 37.44 3hjk s TYR 175 CO 0.27 -4.34 0.00 -2.13 -1.57 0.00 0.00 175.55 167.78 3hjk n ARG 176 N 6.69 1.14 -4.55 -0.62 3.00 -0.45 -4.93 116.66 116.95 3hjk n ARG 176 Ca 0.17 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.77 3hjk n ARG 176 Cb 0.41 -0.88 -0.10 0.00 0.00 0.00 0.00 32.46 31.89 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 -1.75 2.16 -0.03 -0.14 1.51 -0.90 -0.73 117.35 117.47 3hjk s TYR 177 Ca 0.00 -0.87 0.01 0.00 -1.01 0.00 0.00 57.07 55.20 3hjk s TYR 177 Cb 0.00 -1.50 0.01 0.00 -0.11 0.00 0.00 41.96 40.36 3hjk s TYR 177 CO 0.00 0.18 -0.05 0.45 -1.11 0.00 0.00 175.55 175.01 3hjk s SER 178 N -3.62 0.87 -0.17 2.29 0.15 -0.45 0.46 113.70 113.22 3hjk s SER 178 Ca 0.32 -0.12 -0.04 0.00 0.70 0.00 0.00 55.95 56.81 3hjk s SER 178 Cb 0.08 -0.31 -0.03 0.00 -1.71 0.00 0.00 66.02 64.05 3hjk s SER 178 CO 0.15 -0.00 -0.02 -0.32 1.20 0.00 0.00 173.24 174.25 3hjk s MET 179 N 0.51 3.64 -0.09 5.44 1.75 -0.03 -0.40 119.30 130.12 3hjk s MET 179 Ca -0.07 -0.52 -0.00 0.00 -1.25 0.00 0.00 55.69 53.85 3hjk s MET 179 Cb -0.10 -2.98 -0.03 0.00 2.84 0.00 0.00 34.83 34.56 3hjk s MET 179 CO 0.00 0.15 -0.07 0.20 -0.65 0.00 0.00 175.02 174.64 3hjk s GLY 180 N 0.63 1.67 -0.20 2.11 0.00 0.69 -1.03 107.32 111.18 3hjk s GLY 180 Ca -0.02 -0.88 -0.02 0.00 0.00 0.00 0.00 44.72 43.80 3hjk s GLY 180 CO 0.02 -0.49 -0.09 -1.36 0.00 0.00 0.00 173.10 171.19 3hjk s PHE 181 N -0.42 2.90 -0.06 1.90 0.08 0.48 -1.13 117.98 121.72 3hjk s PHE 181 Ca 0.06 -1.08 -0.01 0.00 0.12 0.00 0.00 56.93 56.02 3hjk s PHE 181 Cb -0.12 -2.04 -0.03 0.00 -0.57 0.00 0.00 43.02 40.25 3hjk s PHE 181 CO 0.02 -0.58 0.01 -0.65 -0.10 0.00 0.00 175.22 173.92 3hjk s GLN 182 N 1.34 2.95 -0.05 0.44 1.11 -0.24 -1.90 119.66 123.32 3hjk s GLN 182 Ca 0.04 -0.45 -0.02 0.00 0.01 0.00 0.00 55.36 54.95 3hjk s GLN 182 Cb -0.14 -2.77 0.03 0.00 -1.01 0.00 0.00 33.01 29.12 3hjk s GLN 182 CO -0.05 0.69 0.04 0.00 0.01 0.00 0.00 175.29 175.97 3hjk s GLU 184 N 1.97 3.77 0.00 0.00 2.12 -1.26 -0.32 118.70 124.98 3hjk s GLU 184 Ca 0.03 0.89 0.30 0.00 0.36 0.00 0.00 54.97 56.55 3hjk s GLU 184 Cb -0.12 -3.91 1.52 0.00 0.26 0.00 0.00 34.13 31.88 3hjk s GLU 184 CO -0.03 -1.31 2.01 2.41 -0.54 0.00 0.00 175.26 177.79