#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hjk h SER 2 N 0.00 -0.22 -5.13 1.61 0.87 -1.64 -3.47 113.55 105.57 2hjk h SER 2 Ca 0.00 -0.09 -0.14 0.00 -1.23 0.00 0.00 61.79 60.33 2hjk h SER 2 Cb 0.00 0.06 -0.15 0.00 -0.44 0.00 0.00 62.40 61.87 2hjk h SER 2 CO 0.00 -0.04 -0.68 -1.00 -0.53 0.00 0.00 176.83 174.57 2hjk s HIS 3 N -5.61 0.58 0.07 2.24 3.76 -0.57 -5.00 115.29 110.76 2hjk s HIS 3 Ca -0.15 -1.04 0.04 0.00 -0.15 0.00 0.00 55.06 53.76 2hjk s HIS 3 Cb 0.04 -0.41 -0.03 0.00 1.11 0.00 0.00 32.58 33.29 2hjk s HIS 3 CO 0.63 -0.34 -0.10 -1.54 -0.85 0.00 0.00 174.74 172.54 2hjk s SER 4 N -2.93 1.31 -0.06 1.40 1.04 -1.26 -0.86 113.70 112.34 2hjk s SER 4 Ca 0.08 -0.67 0.06 0.00 0.48 0.00 0.00 55.95 55.89 2hjk s SER 4 Cb 0.07 0.00 -0.01 0.00 0.10 0.00 0.00 66.02 66.19 2hjk s SER 4 CO -0.09 -0.19 -0.25 -0.32 0.98 0.00 0.00 173.24 173.37 2hjk s MET 5 N -2.10 2.61 -0.00 4.02 1.75 -0.20 -0.88 119.30 124.50 2hjk s MET 5 Ca -0.02 -0.89 0.03 0.00 -1.25 0.00 0.00 55.69 53.56 2hjk s MET 5 Cb -0.07 -2.16 -0.01 0.00 2.84 0.00 0.00 34.83 35.43 2hjk s MET 5 CO 0.01 0.34 -0.08 1.03 -0.65 0.00 0.00 175.02 175.67 2hjk s ARG 6 N -0.07 0.66 -0.02 4.11 1.81 -0.53 -1.71 118.95 123.20 2hjk s ARG 6 Ca -0.06 -0.31 0.05 0.00 -1.72 0.00 0.00 55.73 53.69 2hjk s ARG 6 Cb -0.14 -0.63 -0.03 0.00 -0.45 0.00 0.00 34.95 33.70 2hjk s ARG 6 CO 0.05 0.17 -0.16 0.71 -0.68 0.00 0.00 175.30 175.39 2hjk s TYR 7 N -0.22 2.65 -0.10 -0.53 2.02 -0.40 -0.73 117.35 120.03 2hjk s TYR 7 Ca 0.03 -0.20 0.01 0.00 -0.37 0.00 0.00 57.07 56.54 2hjk s TYR 7 Cb -0.03 -1.57 0.02 0.00 -0.40 0.00 0.00 41.96 39.97 2hjk s TYR 7 CO -0.00 0.20 -0.11 -0.06 -1.57 0.00 0.00 175.55 174.00 2hjk s PHE 8 N -0.79 1.68 0.01 2.71 0.40 -0.12 -1.70 117.98 120.16 2hjk s PHE 8 Ca 0.13 -0.79 0.05 0.00 -0.60 0.00 0.00 56.93 55.72 2hjk s PHE 8 Cb -0.11 -1.28 -0.03 0.00 0.51 0.00 0.00 43.02 42.11 2hjk s PHE 8 CO 0.02 -0.46 -0.15 0.71 0.70 0.00 0.00 175.22 176.04 2hjk s TYR 9 N 1.23 2.65 -0.08 0.36 4.12 -0.43 -1.14 117.35 124.06 2hjk s TYR 9 Ca -0.03 -0.19 0.01 0.00 0.02 0.00 0.00 57.07 56.88 2hjk s TYR 9 Cb -0.14 -1.54 0.02 0.00 -1.52 0.00 0.00 41.96 38.78 2hjk s TYR 9 CO -0.04 0.25 -0.09 0.99 0.02 0.00 0.00 175.55 176.69 2hjk s THR 10 N -0.88 0.95 -0.14 -0.71 2.01 0.18 -1.45 115.64 115.61 2hjk s THR 10 Ca 0.14 -0.32 0.01 0.00 0.31 0.00 0.00 61.69 61.83 2hjk s THR 10 Cb -0.11 -0.93 0.02 0.00 0.01 0.00 0.00 72.50 71.49 2hjk s THR 10 CO 0.04 0.33 -0.15 0.00 -0.69 0.00 0.00 174.62 174.16 2hjk s ALA 11 N 1.15 1.86 -0.21 7.40 0.00 -0.00 -0.84 121.76 131.12 2hjk s ALA 11 Ca -0.06 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.01 2hjk s ALA 11 Cb -0.14 -1.02 0.05 0.00 0.00 0.00 0.00 23.12 22.02 2hjk s ALA 11 CO -0.02 -0.31 -0.06 -1.64 0.00 0.00 0.00 175.76 173.73 2hjk s MET 12 N 1.36 1.67 0.58 0.00 -1.94 0.16 -0.62 119.30 120.51 2hjk s MET 12 Ca 0.02 -0.85 -0.14 0.00 -1.71 0.00 0.00 55.69 53.01 2hjk s MET 12 Cb -0.13 -2.43 -0.05 0.00 2.01 0.00 0.00 34.83 34.23 2hjk s MET 12 CO -0.09 -0.53 1.02 -1.54 -0.01 0.00 0.00 175.02 173.88 2hjk s SER 13 N 1.45 6.16 -0.47 3.03 1.04 0.01 -1.49 113.70 123.43 2hjk s SER 13 Ca -0.03 1.59 0.06 0.00 0.48 0.00 0.00 55.95 58.05 2hjk s SER 13 Cb -0.17 -2.50 0.23 0.00 0.10 0.00 0.00 66.02 63.67 2hjk s SER 13 CO -0.07 -0.91 0.77 -2.11 0.98 0.00 0.00 173.24 171.90 2hjk n ARG 14 N -2.20 0.69 -1.64 4.02 1.85 -1.26 -3.90 116.66 114.22 2hjk n ARG 14 Ca 0.07 -2.12 -0.48 0.00 -1.00 0.00 0.00 57.85 54.33 2hjk n ARG 14 Cb 0.54 -1.44 -0.04 0.00 -1.05 0.00 0.00 32.46 30.47 2hjk n ARG 14 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32 2hjk n PRO 15 N 1.91 1.75 0.00 2.89 -0.02 -1.26 -0.69 135.00 139.58 2hjk n PRO 15 Ca 0.14 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 2hjk n PRO 15 Cb 0.59 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 2hjk n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hjk n GLY 16 N 2.71 2.04 1.32 -1.23 0.00 -1.26 -4.86 105.19 103.91 2hjk n GLY 16 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 2hjk n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hjk n ARG 17 N -2.00 2.37 0.00 1.61 1.74 0.14 -5.10 116.66 115.41 2hjk n ARG 17 Ca 0.00 -3.62 0.00 0.00 -0.77 0.00 0.00 57.85 53.46 2hjk n ARG 17 Cb 0.00 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 29.62 2hjk n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hjk n GLY 18 N -0.86 -1.83 3.80 -0.13 0.00 -1.25 -4.92 105.19 100.01 2hjk n GLY 18 Ca 0.28 -1.65 -0.32 0.00 0.00 0.00 0.00 46.02 44.33 2hjk n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hjk s GLU 19 N 0.00 3.22 0.27 1.61 0.41 -1.26 -4.54 118.70 118.41 2hjk s GLU 19 Ca 0.00 1.17 -0.31 0.00 -0.41 0.00 0.00 54.97 55.43 2hjk s GLU 19 Cb 0.00 -2.02 -0.12 0.00 -1.78 0.00 0.00 34.13 30.21 2hjk s GLU 19 CO 0.00 -0.89 1.52 -2.30 -0.49 0.00 0.00 175.26 173.10 2hjk n PRO 20 N -2.24 2.44 -2.40 0.39 -0.02 -1.26 -4.79 135.00 127.13 2hjk n PRO 20 Ca 0.09 0.87 -0.39 0.00 -2.02 0.00 0.00 63.50 62.05 2hjk n PRO 20 Cb 0.53 -2.60 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 2hjk n PRO 20 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2hjk s ARG 21 N -0.45 4.27 -0.15 -0.52 3.52 -0.56 -4.78 118.95 120.29 2hjk s ARG 21 Ca 0.66 1.77 -0.00 0.00 -0.13 0.00 0.00 55.73 58.03 2hjk s ARG 21 Cb -0.56 -2.82 0.03 0.00 -1.56 0.00 0.00 34.95 30.04 2hjk s ARG 21 CO 0.49 -0.11 -0.09 0.12 -0.81 0.00 0.00 175.30 174.89 2hjk s PHE 22 N -1.38 1.85 -0.11 5.12 5.36 -1.26 -0.67 117.98 126.90 2hjk s PHE 22 Ca 0.53 -1.06 0.04 0.00 -0.96 0.00 0.00 56.93 55.47 2hjk s PHE 22 Cb -0.30 -1.41 0.00 0.00 -0.34 0.00 0.00 43.02 40.97 2hjk s PHE 22 CO 0.38 -0.61 -0.24 -1.50 -1.46 0.00 0.00 175.22 171.79 2hjk s ILE 23 N 1.59 2.07 -0.02 3.12 1.10 -0.02 -1.11 121.20 127.93 2hjk s ILE 23 Ca 0.03 -1.01 0.08 0.00 -0.51 0.00 0.00 60.65 59.24 2hjk s ILE 23 Cb -0.14 -1.79 -0.02 0.00 0.15 0.00 0.00 42.46 40.66 2hjk s ILE 23 CO -0.09 0.56 -0.25 0.00 -2.11 0.00 0.00 174.94 173.05 2hjk s ALA 24 N 0.41 2.07 0.06 1.50 0.00 -0.11 -0.64 121.76 125.05 2hjk s ALA 24 Ca -0.17 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 50.75 2hjk s ALA 24 Cb -0.18 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 2hjk s ALA 24 CO 0.07 0.51 -0.13 0.54 0.00 0.00 0.00 175.76 176.75 2hjk s VAL 25 N -0.60 1.01 0.02 0.00 0.11 -0.29 -0.69 120.40 119.96 2hjk s VAL 25 Ca 0.10 -1.19 0.09 0.00 -2.93 0.00 0.00 61.98 58.04 2hjk s VAL 25 Cb -0.10 -0.97 -0.02 0.00 -1.53 0.00 0.00 36.38 33.76 2hjk s VAL 25 CO -0.01 -0.20 -0.26 -0.83 -3.33 0.00 0.00 175.10 170.47 2hjk s GLY 26 N -1.57 1.34 0.04 6.54 0.00 -0.90 -0.95 107.32 111.82 2hjk s GLY 26 Ca -0.02 -1.20 0.06 0.00 0.00 0.00 0.00 44.72 43.56 2hjk s GLY 26 CO 0.02 -1.05 -0.18 -0.19 0.00 0.00 0.00 173.10 171.69 2hjk s TYR 27 N -0.72 1.59 -0.19 1.90 1.51 0.09 -0.58 117.35 120.94 2hjk s TYR 27 Ca 0.11 -0.36 -0.03 0.00 -1.01 0.00 0.00 57.07 55.78 2hjk s TYR 27 Cb -0.10 -0.95 -0.01 0.00 -0.11 0.00 0.00 41.96 40.79 2hjk s TYR 27 CO 0.01 0.07 -0.05 0.08 -1.11 0.00 0.00 175.55 174.54 2hjk s VAL 28 N -0.79 3.45 0.00 0.71 1.01 -0.52 -1.45 120.40 122.81 2hjk s VAL 28 Ca 0.05 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.55 2hjk s VAL 28 Cb -0.08 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.76 2hjk s VAL 28 CO 0.01 0.45 0.00 0.47 0.00 0.00 0.00 175.10 176.04 2hjk n ASP 29 N 4.33 0.00 -2.03 3.32 8.00 -0.06 -1.02 116.55 129.09 2hjk n ASP 29 Ca -0.18 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.23 2hjk n ASP 29 Cb 0.51 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.89 2hjk n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2hjk n ASP 30 N 4.12 4.63 -4.15 -2.24 8.00 -1.26 -4.89 116.55 120.75 2hjk n ASP 30 Ca 0.00 -3.24 -0.33 0.00 0.71 0.00 0.00 54.79 51.92 2hjk n ASP 30 Cb 0.00 -0.76 -0.15 0.00 -0.02 0.00 0.00 41.12 40.19 2hjk n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2hjk s THR 31 N -2.96 2.42 0.32 -3.53 2.01 -0.18 -5.00 115.64 108.72 2hjk s THR 31 Ca 0.54 -1.08 -0.28 0.00 0.31 0.00 0.00 61.69 61.18 2hjk s THR 31 Cb 0.43 -2.17 -0.10 0.00 0.01 0.00 0.00 72.50 70.67 2hjk s THR 31 CO 0.13 0.31 1.17 -1.58 -0.69 0.00 0.00 174.62 173.96 2hjk s GLN 32 N 1.28 4.43 0.00 4.92 0.74 -1.26 -1.44 119.66 128.32 2hjk s GLN 32 Ca 0.01 1.92 0.00 0.00 0.05 0.00 0.00 55.36 57.34 2hjk s GLN 32 Cb -0.16 -3.03 0.00 0.00 1.10 0.00 0.00 33.01 30.92 2hjk s GLN 32 CO -0.08 -0.02 0.00 1.97 -0.55 0.00 0.00 175.29 176.61 2hjk n PHE 33 N 0.81 0.00 -4.03 1.67 -1.74 0.25 -4.05 117.46 110.38 2hjk n PHE 33 Ca 0.00 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.81 2hjk n PHE 33 Cb 0.44 0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.36 2hjk n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 2hjk s VAL 34 N -0.72 0.12 0.20 1.97 -7.23 -1.21 -0.32 120.40 113.21 2hjk s VAL 34 Ca 0.00 -1.62 -0.17 0.00 -1.81 0.00 0.00 61.98 58.38 2hjk s VAL 34 Cb 0.00 -1.76 0.03 0.00 0.56 0.00 0.00 36.38 35.21 2hjk s VAL 34 CO 0.00 -0.56 0.52 0.00 -0.31 0.00 0.00 175.10 174.76 2hjk s ARG 35 N -3.97 1.38 -0.10 4.82 3.03 -0.51 -2.13 118.95 121.48 2hjk s ARG 35 Ca 0.15 -0.88 -0.09 0.00 2.03 0.00 0.00 55.73 56.95 2hjk s ARG 35 Cb 0.06 0.52 0.03 0.00 -1.03 0.00 0.00 34.95 34.53 2hjk s ARG 35 CO -0.03 -0.59 0.26 0.12 -1.13 0.00 0.00 175.30 173.93 2hjk s PHE 36 N -3.88 -0.29 -0.10 5.89 5.36 0.14 -0.81 117.98 124.29 2hjk s PHE 36 Ca 0.09 0.71 -0.03 0.00 -0.96 0.00 0.00 56.93 56.74 2hjk s PHE 36 Cb -0.01 0.09 0.04 0.00 -0.34 0.00 0.00 43.02 42.81 2hjk s PHE 36 CO -0.03 -0.15 0.07 0.34 -1.46 0.00 0.00 175.22 174.00 2hjk s ASP 37 N 0.25 1.72 0.39 6.13 -1.08 -1.26 -0.93 116.67 121.88 2hjk s ASP 37 Ca -0.01 -0.25 0.28 0.00 -0.52 0.00 0.00 52.55 52.05 2hjk s ASP 37 Cb -0.03 -0.20 1.36 0.00 -1.46 0.00 0.00 42.92 42.59 2hjk s ASP 37 CO -0.01 -0.29 1.84 0.77 0.52 0.00 0.00 175.17 178.00 2hjk h SER 38 N 8.43 0.00 0.39 -0.34 4.64 -1.52 -2.37 113.55 122.78 2hjk h SER 38 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2hjk h SER 38 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2hjk h SER 38 CO 0.22 0.00 -0.20 0.47 -0.87 0.00 0.00 176.83 176.45 2hjk n ASP 39 N -2.50 0.61 -4.76 4.97 9.92 -1.26 -4.85 116.55 118.67 2hjk n ASP 39 Ca -0.00 -0.54 -0.35 0.00 -0.53 0.00 0.00 54.79 53.36 2hjk n ASP 39 Cb 0.14 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 40.64 2hjk n ASP 39 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2hjk s ALA 40 N -2.59 2.60 0.17 2.24 0.00 -0.89 -4.94 121.76 118.34 2hjk s ALA 40 Ca 0.24 0.87 -0.20 0.00 0.00 0.00 0.00 51.96 52.86 2hjk s ALA 40 Cb 0.19 -3.39 0.10 0.00 0.00 0.00 0.00 23.12 20.02 2hjk s ALA 40 CO 0.52 -1.00 1.61 0.00 0.00 0.00 0.00 175.76 176.89 2hjk h ALA 41 N 0.91 -0.01 -3.33 0.00 0.00 -1.92 -3.26 119.26 111.65 2hjk h ALA 41 Ca -0.50 0.13 -0.64 0.00 0.00 0.00 0.00 54.91 53.90 2hjk h ALA 41 Cb 1.27 0.60 -0.40 0.00 0.00 0.00 0.00 17.79 19.26 2hjk h ALA 41 CO 0.56 -0.63 -0.59 -1.12 0.00 0.00 0.00 179.25 177.46 2hjk s SER 42 N -5.11 4.46 -0.06 0.00 0.01 -1.26 -5.08 113.70 106.66 2hjk s SER 42 Ca -0.15 -3.08 -0.30 0.00 1.31 0.00 0.00 55.95 53.73 2hjk s SER 42 Cb 0.15 -1.66 -0.06 0.00 0.21 0.00 0.00 66.02 64.65 2hjk s SER 42 CO 0.69 -0.23 1.70 -2.84 0.41 0.00 0.00 173.24 172.98 2hjk s PRO 43 N -0.39 4.12 0.14 12.44 0.02 -1.23 -4.97 135.00 145.13 2hjk s PRO 43 Ca 0.18 2.20 -0.05 0.00 0.02 0.00 0.00 61.00 63.34 2hjk s PRO 43 Cb -0.23 -4.02 -0.02 0.00 0.02 0.00 0.00 34.50 30.24 2hjk s PRO 43 CO -0.02 -0.92 0.17 -0.98 -0.33 0.00 0.00 177.00 174.92 2hjk s ARG 44 N 4.19 1.01 0.02 5.54 1.04 -1.26 -5.03 118.95 124.46 2hjk s ARG 44 Ca 0.76 -1.26 -0.30 0.00 -1.04 0.00 0.00 55.73 53.88 2hjk s ARG 44 Cb -0.34 0.31 -0.06 0.00 -2.04 0.00 0.00 34.95 32.82 2hjk s ARG 44 CO 0.31 -0.33 1.47 1.41 -0.04 0.00 0.00 175.30 178.12 2hjk s MET 45 N -3.99 4.26 0.03 3.89 -2.45 -1.26 -4.46 119.30 115.32 2hjk s MET 45 Ca 0.18 2.06 0.06 0.00 -1.25 0.00 0.00 55.69 56.74 2hjk s MET 45 Cb 0.05 -3.58 -0.02 0.00 1.25 0.00 0.00 34.83 32.53 2hjk s MET 45 CO -0.01 -0.62 -0.18 0.00 1.05 0.00 0.00 175.02 175.27 2hjk s ALA 46 N 2.48 1.47 0.38 4.11 0.00 0.01 -4.85 121.76 125.36 2hjk s ALA 46 Ca 0.66 -0.91 -0.27 0.00 0.00 0.00 0.00 51.96 51.45 2hjk s ALA 46 Cb -0.33 -0.29 -0.09 0.00 0.00 0.00 0.00 23.12 22.41 2hjk s ALA 46 CO 0.28 0.32 1.27 -1.25 0.00 0.00 0.00 175.76 176.38 2hjk s PRO 47 N -1.01 4.11 0.00 0.00 0.04 -1.26 -1.43 135.00 135.45 2hjk s PRO 47 Ca 0.05 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.18 2hjk s PRO 47 Cb -0.08 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.62 2hjk s PRO 47 CO 0.01 -0.35 0.46 0.54 0.04 0.00 0.00 177.00 177.70 2hjk n ARG 48 N 0.33 0.29 -3.94 4.56 5.12 0.56 -4.85 116.66 118.73 2hjk n ARG 48 Ca 0.03 -0.57 -0.10 0.00 -1.93 0.00 0.00 57.85 55.28 2hjk n ARG 48 Cb 0.44 -0.77 -0.11 0.00 -1.16 0.00 0.00 32.46 30.86 2hjk n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2hjk s ALA 49 N -0.21 0.01 0.35 7.54 0.00 -1.23 -4.64 121.76 123.58 2hjk s ALA 49 Ca 0.00 -0.42 0.14 0.00 0.00 0.00 0.00 51.96 51.67 2hjk s ALA 49 Cb 0.00 0.12 0.73 0.00 0.00 0.00 0.00 23.12 23.97 2hjk s ALA 49 CO 0.00 -0.16 1.82 -1.00 0.00 0.00 0.00 175.76 176.42 2hjk h PRO 50 N 4.72 0.00 0.00 0.00 0.13 -1.95 -3.05 132.00 131.86 2hjk h PRO 50 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2hjk h PRO 50 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2hjk h PRO 50 CO 0.42 0.38 0.00 0.11 -0.23 0.00 0.00 178.00 178.68 2hjk h TRP 51 N 0.00 0.00 0.00 1.56 5.08 -1.98 -2.27 115.95 118.35 2hjk h TRP 51 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2hjk h TRP 51 Cb 0.69 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.85 2hjk h TRP 51 CO 0.00 0.00 -0.49 0.97 -1.28 0.00 0.00 178.44 177.64 2hjk h ILE 52 N 0.00 0.00 -0.10 0.12 6.09 -1.88 -3.38 117.51 118.36 2hjk h ILE 52 Ca 0.00 -0.75 -0.03 0.00 -1.37 0.00 0.00 64.86 62.71 2hjk h ILE 52 Cb 0.43 1.47 -0.01 0.00 0.47 0.00 0.00 36.82 39.18 2hjk h ILE 52 CO 0.00 0.00 -0.07 -0.33 -3.07 0.00 0.00 178.15 174.68 2hjk h GLU 53 N 0.00 0.14 0.00 2.19 5.08 -1.52 -1.10 114.58 119.37 2hjk h GLU 53 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2hjk h GLU 53 Cb 0.87 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2hjk h GLU 53 CO 0.00 0.22 0.00 -0.56 -1.00 0.00 0.00 179.01 177.67 2hjk h GLN 54 N 0.14 0.00 -7.02 2.33 3.07 -1.74 -3.44 115.11 108.45 2hjk h GLN 54 Ca 0.03 0.00 -0.53 0.00 0.09 0.00 0.00 58.65 58.24 2hjk h GLN 54 Cb 0.22 0.00 0.11 0.00 0.08 0.00 0.00 27.48 27.89 2hjk h GLN 54 CO 0.01 0.00 0.58 -1.21 0.09 0.00 0.00 178.83 178.30 2hjk s GLU 55 N -3.60 3.44 0.77 0.06 0.41 -0.42 -4.99 118.70 114.37 2hjk s GLU 55 Ca -0.00 2.11 -0.06 0.00 -0.41 0.00 0.00 54.97 56.61 2hjk s GLU 55 Cb 0.09 -2.38 0.13 0.00 -1.78 0.00 0.00 34.13 30.18 2hjk s GLU 55 CO 0.34 -0.91 1.07 0.20 -0.49 0.00 0.00 175.26 175.47 2hjk s GLY 56 N -1.02 1.75 0.31 -1.39 0.00 -1.26 -4.85 107.32 100.87 2hjk s GLY 56 Ca 0.67 -1.40 0.08 0.00 0.00 0.00 0.00 44.72 44.07 2hjk s GLY 56 CO 0.45 -0.83 1.70 -2.55 0.00 0.00 0.00 173.10 171.86 2hjk h PRO 57 N -0.78 0.43 -0.79 2.90 0.11 -1.97 -1.04 132.00 130.86 2hjk h PRO 57 Ca -0.40 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 2hjk h PRO 57 Cb 1.27 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 2hjk h PRO 57 CO 0.45 0.29 0.41 1.05 -0.21 0.00 0.00 178.00 179.99 2hjk h GLU 58 N 0.45 1.12 0.13 1.05 4.11 -1.99 0.93 114.58 120.38 2hjk h GLU 58 Ca 0.63 -0.14 0.02 0.00 0.07 0.00 0.00 59.36 59.93 2hjk h GLU 58 Cb 1.26 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 2hjk h GLU 58 CO -0.53 0.84 -0.27 -0.92 0.07 0.00 0.00 179.01 178.21 2hjk h TYR 59 N 1.10 -0.71 -0.39 2.06 5.03 -1.55 -0.48 116.97 122.03 2hjk h TYR 59 Ca 0.28 0.01 -0.14 0.00 2.58 0.00 0.00 58.73 61.46 2hjk h TYR 59 Cb 0.07 0.30 -0.01 0.00 1.55 0.00 0.00 36.73 38.64 2hjk h TYR 59 CO 0.01 -0.37 -0.31 -1.49 -1.32 0.00 0.00 178.16 174.68 2hjk h TRP 60 N -0.48 1.01 -0.26 -3.82 4.06 -1.15 -0.65 115.95 114.66 2hjk h TRP 60 Ca 0.03 -0.27 -0.03 0.00 2.06 0.00 0.00 58.89 60.68 2hjk h TRP 60 Cb 0.50 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 28.43 2hjk h TRP 60 CO -0.24 1.06 0.06 -0.44 -3.56 0.00 0.00 178.44 175.32 2hjk h ASP 61 N 0.73 0.40 -0.53 -3.49 3.32 -0.80 0.25 116.42 116.29 2hjk h ASP 61 Ca 0.08 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 2hjk h ASP 61 Cb 0.87 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.29 2hjk h ASP 61 CO 0.08 0.53 0.31 1.23 -1.72 0.00 0.00 179.24 179.67 2hjk h GLY 62 N 0.25 0.78 1.05 2.75 0.00 -0.82 0.44 103.07 107.51 2hjk h GLY 62 Ca 0.08 -0.33 -0.08 0.00 0.00 0.00 0.00 47.33 47.00 2hjk h GLY 62 CO 0.00 0.32 0.05 0.83 0.00 0.00 0.00 176.54 177.75 2hjk h GLU 63 N 0.71 1.01 -0.27 4.80 4.39 -1.07 -1.79 114.58 122.35 2hjk h GLU 63 Ca 0.19 -0.29 0.01 0.00 0.34 0.00 0.00 59.36 59.60 2hjk h GLU 63 Cb 0.01 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 2hjk h GLU 63 CO -0.03 0.97 0.17 1.15 -1.16 0.00 0.00 179.01 180.11 2hjk h THR 64 N 0.90 1.06 -0.77 1.13 2.02 -0.55 -0.81 112.91 115.89 2hjk h THR 64 Ca 0.17 -0.12 0.01 0.00 0.77 0.00 0.00 66.41 67.24 2hjk h THR 64 Cb 0.48 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.52 2hjk h THR 64 CO 0.02 0.07 0.51 0.03 0.37 0.00 0.00 175.52 176.51 2hjk h ARG 65 N 0.36 0.99 -0.11 6.66 -0.00 -0.78 -0.86 114.38 120.65 2hjk h ARG 65 Ca 0.10 -0.06 0.02 0.00 -0.50 0.00 0.00 59.98 59.54 2hjk h ARG 65 Cb -0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 29.97 29.70 2hjk h ARG 65 CO -0.03 0.66 0.00 -0.97 0.00 0.00 0.00 179.97 179.63 2hjk h ASN 66 N 1.02 -0.03 -0.54 7.04 -0.00 -1.09 -1.05 115.58 120.93 2hjk h ASN 66 Ca 0.29 0.02 -0.06 0.00 -0.00 0.00 0.00 56.30 56.55 2hjk h ASN 66 Cb -0.09 0.04 -0.03 0.00 -0.00 0.00 0.00 38.32 38.24 2hjk h ASN 66 CO -0.07 0.00 0.14 0.24 -0.00 0.00 0.00 177.43 177.74 2hjk h MET 67 N 0.04 0.91 -0.09 6.67 2.86 -0.64 0.27 114.93 124.96 2hjk h MET 67 Ca 0.05 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 2hjk h MET 67 Cb 0.05 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.58 2hjk h MET 67 CO -0.08 0.81 0.03 0.87 1.06 0.00 0.00 176.91 179.61 2hjk h LYS 68 N 0.87 0.14 -0.66 1.72 1.57 -1.03 0.18 116.57 119.37 2hjk h LYS 68 Ca 0.19 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 2hjk h LYS 68 Cb 0.32 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 2hjk h LYS 68 CO -0.00 0.28 0.43 0.00 -0.57 0.00 0.00 179.45 179.58 2hjk h ALA 69 N 0.86 0.84 -0.72 3.86 0.00 -0.91 -2.37 119.26 120.81 2hjk h ALA 69 Ca 0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2hjk h ALA 69 Cb 0.19 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2hjk h ALA 69 CO -0.00 0.23 0.32 0.77 0.00 0.00 0.00 179.25 180.57 2hjk h SER 70 N 0.86 0.98 -0.88 0.00 0.02 -0.32 -1.85 113.55 112.35 2hjk h SER 70 Ca 0.25 -0.16 0.02 0.00 -0.84 0.00 0.00 61.79 61.06 2hjk h SER 70 Cb -0.07 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.17 2hjk h SER 70 CO -0.07 0.86 0.58 0.00 -1.14 0.00 0.00 176.83 177.07 2hjk h ALA 71 N 1.15 1.14 -0.29 3.77 0.00 -0.30 -0.64 119.26 124.10 2hjk h ALA 71 Ca 0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2hjk h ALA 71 Cb 0.17 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2hjk h ALA 71 CO -0.02 0.49 0.12 1.96 0.00 0.00 0.00 179.25 181.79 2hjk h GLN 72 N 1.16 0.43 -0.44 0.00 1.08 -1.15 -1.11 115.11 115.08 2hjk h GLN 72 Ca 0.33 -0.07 -0.01 0.00 -1.45 0.00 0.00 58.65 57.45 2hjk h GLN 72 Cb -0.09 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.25 2hjk h GLN 72 CO -0.09 0.44 0.22 1.15 -0.95 0.00 0.00 178.83 179.60 2hjk h THR 73 N 0.33 1.17 0.00 -0.54 2.02 -1.11 -1.93 112.91 112.85 2hjk h THR 73 Ca 0.10 -0.48 -0.07 0.00 0.77 0.00 0.00 66.41 66.73 2hjk h THR 73 Cb 0.16 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 2hjk h THR 73 CO -0.01 0.19 -0.33 1.88 0.37 0.00 0.00 175.52 177.61 2hjk h TYR 74 N 0.57 0.00 -0.53 3.16 0.05 -1.02 0.24 116.97 119.43 2hjk h TYR 74 Ca 0.15 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.88 2hjk h TYR 74 Cb 0.10 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.82 2hjk h TYR 74 CO -0.01 0.33 0.13 0.00 -1.05 0.00 0.00 178.16 177.56 2hjk h ARG 75 N 0.00 0.86 -0.61 4.88 3.08 -0.87 -1.37 114.38 120.35 2hjk h ARG 75 Ca -0.00 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.79 2hjk h ARG 75 Cb 0.73 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 2hjk h ARG 75 CO 0.04 0.81 0.18 1.49 -1.07 0.00 0.00 179.97 181.43 2hjk h GLU 76 N 0.75 0.96 -0.43 0.04 4.57 -0.76 -2.86 114.58 116.84 2hjk h GLU 76 Ca 0.17 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2hjk h GLU 76 Cb 0.34 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 2hjk h GLU 76 CO 0.00 0.86 0.28 -0.91 -1.18 0.00 0.00 179.01 178.06 2hjk h ASN 77 N 0.88 0.50 -0.78 1.04 2.35 -0.39 -0.43 115.58 118.75 2hjk h ASN 77 Ca 0.20 -0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.89 2hjk h ASN 77 Cb 0.31 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 2hjk h ASN 77 CO -0.00 0.37 0.31 -0.07 -1.65 0.00 0.00 177.43 176.39 2hjk h LEU 78 N 0.59 1.08 -0.75 1.61 3.38 -1.08 0.13 115.31 120.27 2hjk h LEU 78 Ca 0.16 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 2hjk h LEU 78 Cb -0.05 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 2hjk h LEU 78 CO -0.03 0.96 0.07 0.03 0.09 0.00 0.00 178.44 179.56 2hjk h ARG 79 N 1.14 1.02 -0.13 1.13 3.08 -1.09 -2.44 114.38 117.09 2hjk h ARG 79 Ca 0.26 -0.28 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 2hjk h ARG 79 Cb 0.21 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 2hjk h ARG 79 CO -0.02 0.96 -0.13 0.82 -1.07 0.00 0.00 179.97 180.53 2hjk h ILE 80 N 0.95 1.35 -0.92 2.04 2.04 -0.85 -3.05 117.51 119.07 2hjk h ILE 80 Ca 0.19 -1.29 0.12 0.00 1.00 0.00 0.00 64.86 64.88 2hjk h ILE 80 Cb 0.45 1.91 -0.07 0.00 -0.74 0.00 0.00 36.82 38.37 2hjk h ILE 80 CO 0.02 0.37 0.59 0.00 0.00 0.00 0.00 178.15 179.13 2hjk h ALA 81 N 0.60 1.67 -0.85 1.87 0.00 -0.91 -0.57 119.26 121.06 2hjk h ALA 81 Ca 0.02 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2hjk h ALA 81 Cb 0.65 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 2hjk h ALA 81 CO 0.03 0.12 0.54 1.25 0.00 0.00 0.00 179.25 181.19 2hjk h LEU 82 N 0.85 0.89 -0.51 0.00 5.85 -1.34 -1.02 115.31 120.03 2hjk h LEU 82 Ca 0.44 -0.00 -0.15 0.00 0.84 0.00 0.00 57.88 59.01 2hjk h LEU 82 Cb 0.52 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2hjk h LEU 82 CO -0.20 0.60 -0.37 0.03 -0.34 0.00 0.00 178.44 178.16 2hjk h ARG 83 N 1.04 0.81 0.00 1.25 3.08 -1.11 0.26 114.38 119.71 2hjk h ARG 83 Ca 0.35 -0.41 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 2hjk h ARG 83 Cb 0.04 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2hjk h ARG 83 CO -0.13 1.04 -0.18 1.88 -1.07 0.00 0.00 179.97 181.51 2hjk h TYR 84 N 0.67 0.00 -0.28 3.04 -1.99 -0.59 -3.07 116.97 114.74 2hjk h TYR 84 Ca 0.06 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.79 2hjk h TYR 84 Cb 0.93 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.66 2hjk h TYR 84 CO 0.05 0.18 0.00 0.66 -0.00 0.00 0.00 178.16 179.06 2hjk n TYR 85 N -3.64 0.37 -2.11 4.88 4.01 -0.44 -4.75 117.16 115.48 2hjk n TYR 85 Ca -0.01 -0.34 -0.16 0.00 -0.16 0.00 0.00 57.90 57.22 2hjk n TYR 85 Cb 0.31 -0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 39.30 2hjk n TYR 85 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2hjk n ASN 86 N 0.71 -4.90 -4.92 7.72 3.02 -0.68 -4.97 115.26 111.24 2hjk n ASN 86 Ca 0.12 0.09 -0.27 0.00 -0.03 0.00 0.00 54.58 54.49 2hjk n ASN 86 Cb 0.42 -3.97 -0.02 0.00 -0.61 0.00 0.00 39.78 35.59 2hjk n ASN 86 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2hjk s GLN 87 N -4.47 3.56 0.55 3.52 -0.21 -0.01 -5.03 119.66 117.57 2hjk s GLN 87 Ca 0.00 -0.16 -0.17 0.00 0.02 0.00 0.00 55.36 55.06 2hjk s GLN 87 Cb 0.00 -2.67 -0.06 0.00 1.00 0.00 0.00 33.01 31.28 2hjk s GLN 87 CO 0.00 0.21 1.02 0.45 -2.12 0.00 0.00 175.29 174.85 2hjk s SER 88 N -3.49 6.21 0.00 5.90 0.15 -1.26 -4.70 113.70 116.51 2hjk s SER 88 Ca 0.42 1.72 0.25 0.00 0.70 0.00 0.00 55.95 59.04 2hjk s SER 88 Cb -0.10 -2.53 1.37 0.00 -1.71 0.00 0.00 66.02 63.05 2hjk s SER 88 CO 0.32 -0.87 1.86 -0.62 1.20 0.00 0.00 173.24 175.13 2hjk n GLU 89 N -1.70 0.54 0.10 5.44 1.02 -1.26 -3.64 120.64 121.14 2hjk n GLU 89 Ca 0.08 0.03 0.12 0.00 -0.02 0.00 0.00 57.16 57.37 2hjk n GLU 89 Cb 0.53 -1.50 0.20 0.00 -0.02 0.00 0.00 31.44 30.65 2hjk n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2hjk h ALA 90 N 3.35 0.74 -2.24 0.62 0.00 -1.98 -3.44 119.26 116.31 2hjk h ALA 90 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.44 2hjk h ALA 90 Cb 0.14 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.94 2hjk h ALA 90 CO 0.00 0.00 -0.22 0.20 0.00 0.00 0.00 179.25 179.23 2hjk s GLY 91 N -3.84 1.33 -0.05 0.00 0.00 -1.24 -4.69 107.32 98.83 2hjk s GLY 91 Ca 0.06 -0.95 -0.12 0.00 0.00 0.00 0.00 44.72 43.72 2hjk s GLY 91 CO 0.69 -0.90 0.31 -1.35 0.00 0.00 0.00 173.10 171.86 2hjk s SER 92 N -4.01 6.65 0.14 1.64 1.04 -1.26 -4.60 113.70 113.30 2hjk s SER 92 Ca 0.39 0.78 0.01 0.00 0.48 0.00 0.00 55.95 57.61 2hjk s SER 92 Cb -0.10 -2.19 -0.04 0.00 0.10 0.00 0.00 66.02 63.79 2hjk s SER 92 CO 0.35 0.35 0.01 -1.00 0.98 0.00 0.00 173.24 173.92 2hjk s HIS 93 N -1.00 1.02 -0.02 5.02 3.76 -1.25 -4.95 115.29 117.86 2hjk s HIS 93 Ca 0.20 -1.07 0.02 0.00 -0.15 0.00 0.00 55.06 54.06 2hjk s HIS 93 Cb -0.15 -0.59 0.01 0.00 1.11 0.00 0.00 32.58 32.96 2hjk s HIS 93 CO 0.10 -0.30 -0.05 0.42 -0.85 0.00 0.00 174.74 174.05 2hjk s ILE 94 N -3.78 0.49 -0.11 0.60 1.01 -1.26 -0.81 121.20 117.33 2hjk s ILE 94 Ca 0.21 -0.19 -0.00 0.00 0.00 0.00 0.00 60.65 60.66 2hjk s ILE 94 Cb 0.07 -0.46 -0.02 0.00 0.01 0.00 0.00 42.46 42.05 2hjk s ILE 94 CO 0.01 0.17 -0.08 -0.63 0.00 0.00 0.00 174.94 174.41 2hjk s ILE 95 N 0.30 3.51 0.10 2.92 1.01 0.21 -0.13 121.20 129.13 2hjk s ILE 95 Ca -0.03 -0.52 0.09 0.00 0.00 0.00 0.00 60.65 60.19 2hjk s ILE 95 Cb -0.07 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 2hjk s ILE 95 CO -0.00 0.55 -0.24 -1.10 0.00 0.00 0.00 174.94 174.15 2hjk s GLN 96 N -0.18 1.34 0.01 2.79 1.11 -0.48 -0.82 119.66 123.42 2hjk s GLN 96 Ca 0.02 -1.22 0.02 0.00 0.01 0.00 0.00 55.36 54.18 2hjk s GLN 96 Cb -0.13 -1.68 -0.01 0.00 -1.01 0.00 0.00 33.01 30.18 2hjk s GLN 96 CO 0.03 0.40 -0.06 0.54 0.01 0.00 0.00 175.29 176.21 2hjk s VAL 97 N -1.05 0.45 0.00 1.09 0.11 -0.53 -0.88 120.40 119.59 2hjk s VAL 97 Ca 0.10 -0.45 0.05 0.00 -2.93 0.00 0.00 61.98 58.75 2hjk s VAL 97 Cb -0.10 -0.42 -0.01 0.00 -1.53 0.00 0.00 36.38 34.32 2hjk s VAL 97 CO 0.05 -0.02 -0.15 -0.32 -3.33 0.00 0.00 175.10 171.33 2hjk s MET 98 N -0.51 1.15 0.16 1.54 0.00 -0.24 -1.32 119.30 120.08 2hjk s MET 98 Ca -0.01 -0.58 -0.13 0.00 0.00 0.00 0.00 55.69 54.97 2hjk s MET 98 Cb -0.04 -1.12 0.01 0.00 0.00 0.00 0.00 34.83 33.68 2hjk s MET 98 CO -0.00 0.30 0.38 1.52 0.00 0.00 0.00 175.02 177.22 2hjk s TYR 99 N -0.45 0.09 -4.71 4.11 -0.85 -0.69 -0.84 117.35 114.01 2hjk s TYR 99 Ca 0.05 -0.44 0.00 0.00 -0.52 0.00 0.00 57.07 56.16 2hjk s TYR 99 Cb -0.06 0.16 0.00 0.00 0.38 0.00 0.00 41.96 42.44 2hjk s TYR 99 CO -0.00 -0.77 0.00 0.41 -1.52 0.00 0.00 175.55 173.67 2hjk n GLY 100 N -0.25 -1.34 3.09 5.49 0.00 -0.61 -1.27 105.19 110.29 2hjk n GLY 100 Ca -0.11 -1.20 -0.11 0.00 0.00 0.00 0.00 46.02 44.60 2hjk n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hjk s ASP 102 N -2.14 3.12 0.06 0.00 1.01 -0.10 -1.03 116.67 117.58 2hjk s ASP 102 Ca -0.03 -0.48 0.07 0.00 0.71 0.00 0.00 52.55 52.82 2hjk s ASP 102 Cb -0.04 -0.71 -0.03 0.00 1.01 0.00 0.00 42.92 43.15 2hjk s ASP 102 CO -0.02 0.27 -0.21 0.68 0.21 0.00 0.00 175.17 176.10 2hjk s VAL 103 N -0.30 1.67 0.93 -1.27 -7.23 -0.03 0.23 120.40 114.38 2hjk s VAL 103 Ca 0.01 -1.29 -0.12 0.00 -1.81 0.00 0.00 61.98 58.76 2hjk s VAL 103 Cb -0.13 -1.47 0.20 0.00 0.56 0.00 0.00 36.38 35.55 2hjk s VAL 103 CO 0.02 0.12 1.26 -0.83 -0.31 0.00 0.00 175.10 175.37 2hjk s GLY 104 N -1.38 1.80 0.45 2.32 0.00 -0.92 -1.51 107.32 108.07 2hjk s GLY 104 Ca 0.07 -1.47 0.25 0.00 0.00 0.00 0.00 44.72 43.56 2hjk s GLY 104 CO 0.02 -0.70 1.79 -2.55 0.00 0.00 0.00 173.10 171.67 2hjk h PRO 105 N -1.45 0.24 -0.26 2.90 0.11 -1.94 0.49 132.00 132.09 2hjk h PRO 105 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2hjk h PRO 105 Cb 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2hjk h PRO 105 CO 0.33 0.16 0.00 -0.40 -0.21 0.00 0.00 178.00 177.88 2hjk n ASP 106 N -4.47 1.82 0.00 -2.05 5.75 -1.26 -4.94 116.55 111.40 2hjk n ASP 106 Ca 0.24 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 53.19 2hjk n ASP 106 Cb 0.98 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.90 2hjk n ASP 106 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2hjk n GLY 107 N 1.12 0.70 3.84 6.12 0.00 0.17 -5.04 105.19 112.09 2hjk n GLY 107 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2hjk n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hjk s ARG 108 N -0.13 4.09 -0.05 1.61 0.52 -1.26 -4.75 118.95 118.98 2hjk s ARG 108 Ca 0.00 0.81 -0.35 0.00 -0.52 0.00 0.00 55.73 55.67 2hjk s ARG 108 Cb 0.00 -2.41 -0.13 0.00 0.52 0.00 0.00 34.95 32.93 2hjk s ARG 108 CO 0.00 0.13 1.76 -0.11 0.02 0.00 0.00 175.30 177.10 2hjk n LEU 109 N -0.33 3.09 -0.02 2.53 7.94 -1.26 -2.18 117.00 126.78 2hjk n LEU 109 Ca 0.04 1.02 -0.22 0.00 -1.11 0.00 0.00 56.01 55.74 2hjk n LEU 109 Cb 0.53 -1.34 -0.13 0.00 0.53 0.00 0.00 43.42 43.01 2hjk n LEU 109 CO 0.41 -0.23 -0.76 0.18 -1.11 0.00 0.00 177.39 175.88 2hjk n LEU 110 N 5.51 2.47 -3.60 -1.96 4.77 0.13 -4.86 117.00 119.46 2hjk n LEU 110 Ca 0.22 0.26 -0.06 0.00 -0.03 0.00 0.00 56.01 56.39 2hjk n LEU 110 Cb 0.26 -1.09 -0.04 0.00 -2.33 0.00 0.00 43.42 40.23 2hjk n LEU 110 CO 0.72 0.73 0.95 0.00 -1.33 0.00 0.00 177.39 178.46 2hjk s ARG 111 N -2.52 0.36 0.26 3.23 1.70 -1.12 -4.99 118.95 115.88 2hjk s ARG 111 Ca -0.24 -0.00 0.09 0.00 -0.47 0.00 0.00 55.73 55.11 2hjk s ARG 111 Cb 0.07 0.17 -0.04 0.00 -0.57 0.00 0.00 34.95 34.57 2hjk s ARG 111 CO 0.73 -0.13 0.04 0.20 -1.08 0.00 0.00 175.30 175.06 2hjk s GLY 112 N -1.49 1.60 -0.03 3.88 0.00 -1.26 -0.93 107.32 109.09 2hjk s GLY 112 Ca 0.05 -1.60 -0.03 0.00 0.00 0.00 0.00 44.72 43.14 2hjk s GLY 112 CO -0.04 -1.66 0.08 0.30 0.00 0.00 0.00 173.10 171.79 2hjk s HIS 113 N -2.28 -0.07 -0.29 1.90 0.09 -0.24 -4.82 115.29 109.58 2hjk s HIS 113 Ca 0.32 0.17 0.02 0.00 -0.00 0.00 0.00 55.06 55.56 2hjk s HIS 113 Cb -0.07 0.02 0.19 0.00 -0.00 0.00 0.00 32.58 32.72 2hjk s HIS 113 CO 0.21 -0.07 0.62 0.34 -0.00 0.00 0.00 174.74 175.84 2hjk s ASP 114 N -0.12 -1.46 0.09 1.40 3.68 -1.26 -1.57 116.67 117.43 2hjk s ASP 114 Ca -0.02 0.49 0.06 0.00 2.13 0.00 0.00 52.55 55.21 2hjk s ASP 114 Cb -0.02 2.05 -0.03 0.00 -1.45 0.00 0.00 42.92 43.48 2hjk s ASP 114 CO 0.00 -0.27 -0.15 -1.10 0.13 0.00 0.00 175.17 173.78 2hjk s GLN 115 N 2.85 0.90 0.04 4.34 -0.21 -0.02 -0.81 119.66 126.75 2hjk s GLN 115 Ca 0.15 -1.04 0.05 0.00 0.02 0.00 0.00 55.36 54.53 2hjk s GLN 115 Cb -0.12 -0.90 -0.02 0.00 1.00 0.00 0.00 33.01 32.97 2hjk s GLN 115 CO -0.23 0.19 -0.14 -1.12 -2.12 0.00 0.00 175.29 171.87 2hjk s SER 116 N -1.93 1.64 0.11 5.90 0.01 0.79 -1.08 113.70 119.14 2hjk s SER 116 Ca 0.01 -0.48 0.06 0.00 1.31 0.00 0.00 55.95 56.86 2hjk s SER 116 Cb -0.09 -0.10 -0.04 0.00 0.21 0.00 0.00 66.02 66.01 2hjk s SER 116 CO 0.03 0.01 -0.15 0.00 0.41 0.00 0.00 173.24 173.54 2hjk s ALA 117 N -0.91 1.45 -0.09 1.44 0.00 -0.06 -0.87 121.76 122.72 2hjk s ALA 117 Ca 0.01 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 50.77 2hjk s ALA 117 Cb -0.08 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 22.95 2hjk s ALA 117 CO 0.01 0.15 -0.13 -0.47 0.00 0.00 0.00 175.76 175.33 2hjk s TYR 118 N -1.80 1.68 -1.60 0.00 5.04 0.14 -1.38 117.35 119.42 2hjk s TYR 118 Ca 0.06 -0.74 -0.16 0.00 -2.44 0.00 0.00 57.07 53.79 2hjk s TYR 118 Cb -0.07 -1.25 0.12 0.00 0.35 0.00 0.00 41.96 41.11 2hjk s TYR 118 CO 0.03 -0.40 0.90 -0.25 -1.34 0.00 0.00 175.55 174.48 2hjk n ASP 119 N 4.18 -4.11 0.00 4.32 8.00 0.82 -1.98 116.55 127.77 2hjk n ASP 119 Ca -0.19 -0.88 0.00 0.00 0.71 0.00 0.00 54.79 54.43 2hjk n ASP 119 Cb 0.51 -3.40 0.00 0.00 -0.02 0.00 0.00 41.12 38.21 2hjk n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2hjk n GLY 120 N -1.57 0.63 3.36 0.44 0.00 -1.26 -5.01 105.19 101.78 2hjk n GLY 120 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2hjk n GLY 120 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2hjk s LYS 121 N -0.04 2.07 0.19 1.61 2.20 -0.84 -5.08 119.74 119.85 2hjk s LYS 121 Ca 0.00 -0.96 -0.32 0.00 -0.36 0.00 0.00 55.97 54.33 2hjk s LYS 121 Cb 0.00 -2.09 -0.15 0.00 -1.51 0.00 0.00 37.83 34.08 2hjk s LYS 121 CO 0.00 0.55 1.17 -0.25 -0.36 0.00 0.00 175.35 176.46 2hjk n ASP 122 N 2.10 1.48 0.00 1.43 10.43 -1.26 -0.69 116.55 130.04 2hjk n ASP 122 Ca -0.16 1.15 -0.01 0.00 2.57 0.00 0.00 54.79 58.34 2hjk n ASP 122 Cb 0.52 -1.25 -0.00 0.00 1.84 0.00 0.00 41.12 42.23 2hjk n ASP 122 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2hjk n TYR 123 N 1.39 0.00 -3.84 1.24 9.36 -0.05 -4.65 117.16 120.61 2hjk n TYR 123 Ca 0.14 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.25 2hjk n TYR 123 Cb 0.26 -0.04 -0.09 0.00 -0.63 0.00 0.00 39.34 38.85 2hjk n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 2hjk s ILE 124 N -1.36 0.09 -0.06 2.97 2.07 -1.17 -0.92 121.20 122.82 2hjk s ILE 124 Ca -0.02 -0.78 -0.04 0.00 -1.41 0.00 0.00 60.65 58.40 2hjk s ILE 124 Cb 0.00 -0.73 0.02 0.00 0.13 0.00 0.00 42.46 41.89 2hjk s ILE 124 CO 0.03 -0.43 0.14 0.00 -1.91 0.00 0.00 174.94 172.77 2hjk s ALA 125 N -2.04 -0.31 0.05 1.50 0.00 -0.49 -0.15 121.76 120.33 2hjk s ALA 125 Ca -0.09 0.50 -0.31 0.00 0.00 0.00 0.00 51.96 52.07 2hjk s ALA 125 Cb -0.04 -0.32 -0.06 0.00 0.00 0.00 0.00 23.12 22.70 2hjk s ALA 125 CO -0.01 -0.10 1.39 -1.17 0.00 0.00 0.00 175.76 175.87 2hjk s LEU 126 N 0.52 4.34 0.93 0.00 2.96 0.00 -0.21 118.68 127.22 2hjk s LEU 126 Ca -0.04 2.20 -0.12 0.00 -0.22 0.00 0.00 54.13 55.95 2hjk s LEU 126 Cb -0.05 -3.57 0.15 0.00 0.50 0.00 0.00 46.19 43.21 2hjk s LEU 126 CO -0.02 -0.68 1.09 0.20 -1.32 0.00 0.00 176.35 175.62 2hjk s ASN 127 N 1.55 3.22 0.60 3.68 0.01 0.40 -4.55 114.94 119.85 2hjk s ASN 127 Ca 0.64 1.40 0.35 0.00 -0.71 0.00 0.00 52.86 54.54 2hjk s ASN 127 Cb -0.34 -2.07 1.94 0.00 0.41 0.00 0.00 41.25 41.19 2hjk s ASN 127 CO 0.28 -2.79 2.24 -0.08 -1.51 0.00 0.00 177.10 175.25 2hjk h GLU 128 N -1.65 0.00 0.00 -0.60 4.81 -1.88 -0.30 114.58 114.96 2hjk h GLU 128 Ca -0.51 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2hjk h GLU 128 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 2hjk h GLU 128 CO 0.55 0.03 0.00 -0.40 -0.73 0.00 0.00 179.01 178.46 2hjk n ASP 129 N -3.48 0.53 -2.60 1.04 5.68 -1.26 -4.76 116.55 111.69 2hjk n ASP 129 Ca -0.02 0.66 -0.20 0.00 -0.50 0.00 0.00 54.79 54.73 2hjk n ASP 129 Cb 0.13 -0.76 0.00 0.00 -1.14 0.00 0.00 41.12 39.35 2hjk n ASP 129 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2hjk n LEU 130 N -2.12 -1.97 0.00 -2.12 4.77 -0.12 -4.80 117.00 110.64 2hjk n LEU 130 Ca 0.01 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2hjk n LEU 130 Cb 0.16 -2.78 0.00 0.00 -2.33 0.00 0.00 43.42 38.47 2hjk n LEU 130 CO 0.15 -0.08 -0.09 -1.20 -1.33 0.00 0.00 177.39 174.85 2hjk n SER 131 N -2.12 0.88 -4.39 -1.43 7.64 -1.26 -4.49 113.62 108.45 2hjk n SER 131 Ca -0.19 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.50 2hjk n SER 131 Cb 0.65 0.11 -0.10 0.00 -1.01 0.00 0.00 64.21 63.86 2hjk n SER 131 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2hjk s SER 132 N -1.06 1.88 0.11 6.43 1.04 -1.26 -4.83 113.70 116.01 2hjk s SER 132 Ca 0.00 -1.38 0.10 0.00 0.48 0.00 0.00 55.95 55.15 2hjk s SER 132 Cb 0.00 0.02 -0.04 0.00 0.10 0.00 0.00 66.02 66.10 2hjk s SER 132 CO 0.00 -0.66 -0.24 0.26 0.98 0.00 0.00 173.24 173.58 2hjk s TRP 133 N -3.49 2.09 -0.22 5.02 0.52 -1.26 -0.45 118.94 121.15 2hjk s TRP 133 Ca 0.37 -0.40 -0.02 0.00 0.02 0.00 0.00 56.10 56.08 2hjk s TRP 133 Cb 0.08 -1.15 0.01 0.00 -1.15 0.00 0.00 33.47 31.27 2hjk s TRP 133 CO 0.15 0.26 -0.09 0.99 0.02 0.00 0.00 176.95 178.29 2hjk s THR 134 N -1.07 2.87 -0.10 2.01 2.01 0.70 -4.87 115.64 117.20 2hjk s THR 134 Ca 0.11 -0.82 -0.09 0.00 0.31 0.00 0.00 61.69 61.20 2hjk s THR 134 Cb -0.10 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 2hjk s THR 134 CO 0.05 0.35 0.20 0.00 -0.69 0.00 0.00 174.62 174.53 2hjk s ALA 135 N 1.37 3.83 -0.41 7.40 0.00 -1.26 -1.39 121.76 131.30 2hjk s ALA 135 Ca 0.03 -0.56 0.23 0.00 0.00 0.00 0.00 51.96 51.67 2hjk s ALA 135 Cb -0.15 -2.07 0.22 0.00 0.00 0.00 0.00 23.12 21.12 2hjk s ALA 135 CO -0.06 0.55 1.31 0.00 0.00 0.00 0.00 175.76 177.57 2hjk h ALA 136 N 5.07 0.70 -2.85 0.00 0.00 -1.30 -3.47 119.26 117.42 2hjk h ALA 136 Ca -0.53 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 2hjk h ALA 136 Cb 1.22 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2hjk h ALA 136 CO 0.60 0.00 0.14 -0.40 0.00 0.00 0.00 179.25 179.59 2hjk n ASP 137 N -2.67 -1.47 0.24 0.00 5.68 -1.26 -5.03 116.55 112.03 2hjk n ASP 137 Ca 0.02 -2.14 0.13 0.00 -0.50 0.00 0.00 54.79 52.30 2hjk n ASP 137 Cb 0.52 2.48 0.45 0.00 -1.14 0.00 0.00 41.12 43.43 2hjk n ASP 137 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 2hjk h THR 138 N 1.69 0.22 0.04 2.12 1.35 -1.99 -1.88 112.91 114.46 2hjk h THR 138 Ca -0.22 -0.93 -0.00 0.00 -0.55 0.00 0.00 66.41 64.71 2hjk h THR 138 Cb 0.85 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 2hjk h THR 138 CO 0.29 0.10 -0.02 0.00 -0.25 0.00 0.00 175.52 175.64 2hjk h ALA 139 N 1.90 -0.05 0.00 6.62 0.00 -1.96 -3.12 119.26 122.64 2hjk h ALA 139 Ca -0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2hjk h ALA 139 Cb 0.76 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2hjk h ALA 139 CO 0.01 -0.36 -0.12 0.00 0.00 0.00 0.00 179.25 178.78 2hjk h ALA 140 N 0.54 1.50 -0.39 0.00 0.00 -1.80 -1.44 119.26 117.67 2hjk h ALA 140 Ca -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2hjk h ALA 140 Cb 0.37 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2hjk h ALA 140 CO 0.01 0.15 0.19 1.96 0.00 0.00 0.00 179.25 181.57 2hjk h GLN 141 N 0.00 0.53 0.05 0.00 4.20 -1.30 0.15 115.11 118.74 2hjk h GLN 141 Ca -0.00 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.66 2hjk h GLN 141 Cb 0.27 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 2hjk h GLN 141 CO 0.02 0.41 -0.08 0.82 -0.67 0.00 0.00 178.83 179.32 2hjk h ILE 142 N 0.54 0.80 -0.76 2.54 1.08 -1.20 -1.48 117.51 119.03 2hjk h ILE 142 Ca 0.14 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.65 2hjk h ILE 142 Cb 0.04 0.80 -0.05 0.00 -3.07 0.00 0.00 36.82 34.54 2hjk h ILE 142 CO -0.02 0.00 0.47 0.40 -0.69 0.00 0.00 178.15 178.31 2hjk h ILE 143 N -0.17 1.08 -0.32 -0.67 5.03 -1.39 -2.47 117.51 118.60 2hjk h ILE 143 Ca 0.01 -0.31 0.04 0.00 -0.12 0.00 0.00 64.86 64.49 2hjk h ILE 143 Cb 0.18 0.10 -0.04 0.00 -3.03 0.00 0.00 36.82 34.03 2hjk h ILE 143 CO -0.05 0.16 0.08 -0.61 -0.68 0.00 0.00 178.15 177.06 2hjk h GLN 144 N 0.90 0.20 -0.80 2.37 4.15 -0.43 0.25 115.11 121.75 2hjk h GLN 144 Ca 0.31 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.76 2hjk h GLN 144 Cb 0.07 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.66 2hjk h GLN 144 CO -0.13 0.13 0.51 0.00 -1.93 0.00 0.00 178.83 177.41 2hjk h ARG 145 N 0.21 0.94 -0.40 1.69 3.08 -1.09 0.35 114.38 119.16 2hjk h ARG 145 Ca 0.15 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 2hjk h ARG 145 Cb 0.14 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 2hjk h ARG 145 CO -0.17 0.62 0.13 0.87 -1.07 0.00 0.00 179.97 180.35 2hjk h LYS 146 N 0.97 0.61 -0.06 0.04 1.57 -0.89 -1.32 116.57 117.50 2hjk h LYS 146 Ca 0.33 -0.13 -0.17 0.00 -1.87 0.00 0.00 60.65 58.81 2hjk h LYS 146 Cb 0.06 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2hjk h LYS 146 CO -0.13 0.61 -0.71 -1.49 -0.57 0.00 0.00 179.45 177.16 2hjk h TRP 147 N 0.50 0.40 -0.40 -1.35 4.06 -0.08 -1.72 115.95 117.35 2hjk h TRP 147 Ca 0.13 -0.17 0.00 0.00 2.06 0.00 0.00 58.89 60.91 2hjk h TRP 147 Cb 0.24 -0.06 -0.02 0.00 -1.00 0.00 0.00 29.16 28.32 2hjk h TRP 147 CO 0.01 0.90 0.26 0.93 -3.56 0.00 0.00 178.44 176.98 2hjk h GLU 148 N 0.20 0.53 -0.68 0.49 5.08 -0.25 -1.73 114.58 118.22 2hjk h GLU 148 Ca -0.02 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 2hjk h GLU 148 Cb 1.26 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 2hjk h GLU 148 CO 0.11 0.36 0.15 0.00 -1.00 0.00 0.00 179.01 178.63 2hjk h ALA 149 N 1.13 0.98 -0.08 3.43 0.00 -1.02 -2.79 119.26 120.91 2hjk h ALA 149 Ca 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2hjk h ALA 149 Cb -0.04 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2hjk h ALA 149 CO -0.03 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.87 2hjk n ALA 150 N -2.46 2.57 -3.88 0.00 0.00 -0.67 -4.94 120.51 111.13 2hjk n ALA 150 Ca 0.05 -0.38 -0.29 0.00 0.00 0.00 0.00 53.44 52.81 2hjk n ALA 150 Cb 0.27 -1.20 0.03 0.00 0.00 0.00 0.00 19.45 18.55 2hjk n ALA 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2hjk n ARG 151 N -0.09 -5.82 -0.28 0.00 5.12 -0.78 -4.89 116.66 109.92 2hjk n ARG 151 Ca 0.17 0.62 -0.05 0.00 -1.93 0.00 0.00 57.85 56.67 2hjk n ARG 151 Cb 0.25 -5.53 0.06 0.00 -1.16 0.00 0.00 32.46 26.08 2hjk n ARG 151 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2hjk h VAL 152 N -2.16 1.22 -0.91 1.55 2.07 -1.63 -2.86 116.25 113.53 2hjk h VAL 152 Ca -0.58 -0.52 0.13 0.00 0.82 0.00 0.00 66.70 66.55 2hjk h VAL 152 Cb 1.38 0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 31.24 2hjk h VAL 152 CO 0.66 0.24 0.58 0.00 0.02 0.00 0.00 177.57 179.07 2hjk h ALA 153 N 1.24 1.73 -0.67 1.67 0.00 -1.88 -1.40 119.26 119.95 2hjk h ALA 153 Ca 0.27 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.23 2hjk h ALA 153 Cb -0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 2hjk h ALA 153 CO -0.05 0.03 0.44 0.93 0.00 0.00 0.00 179.25 180.61 2hjk h GLU 154 N 0.78 0.79 -0.19 0.00 3.07 -1.74 0.26 114.58 117.56 2hjk h GLU 154 Ca 0.45 -0.05 -0.14 0.00 -0.50 0.00 0.00 59.36 59.12 2hjk h GLU 154 Cb 0.61 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 2hjk h GLU 154 CO -0.21 0.53 -0.44 1.96 -1.40 0.00 0.00 179.01 179.45 2hjk h GLN 155 N 0.82 0.63 -0.52 2.33 4.20 -1.31 -2.22 115.11 119.03 2hjk h GLN 155 Ca 0.26 -0.42 -0.03 0.00 0.06 0.00 0.00 58.65 58.51 2hjk h GLN 155 Cb 0.04 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 2hjk h GLN 155 CO -0.07 1.04 0.19 -0.07 -0.67 0.00 0.00 178.83 179.26 2hjk h LEU 156 N 0.31 0.74 -0.69 1.46 4.07 -1.05 -2.33 115.31 117.82 2hjk h LEU 156 Ca -0.00 -0.18 0.02 0.00 0.08 0.00 0.00 57.88 57.80 2hjk h LEU 156 Cb 1.04 -0.19 -0.04 0.00 1.08 0.00 0.00 40.66 42.55 2hjk h LEU 156 CO 0.10 0.72 0.43 -0.09 -1.08 0.00 0.00 178.44 178.52 2hjk h ARG 157 N 0.71 0.83 -0.61 1.13 2.43 -0.47 0.24 114.38 118.65 2hjk h ARG 157 Ca 0.17 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.25 2hjk h ARG 157 Cb 0.23 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.56 2hjk h ARG 157 CO -0.01 0.55 0.19 0.00 -1.51 0.00 0.00 179.97 179.19 2hjk h ALA 158 N 1.29 0.79 0.21 2.80 0.00 -1.23 -0.27 119.26 122.85 2hjk h ALA 158 Ca 0.27 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2hjk h ALA 158 Cb -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2hjk h ALA 158 CO -0.10 0.46 -0.10 -0.92 0.00 0.00 0.00 179.25 178.59 2hjk h TYR 159 N 0.86 -0.27 -0.62 0.00 3.20 -1.02 -2.06 116.97 117.07 2hjk h TYR 159 Ca 0.20 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 2hjk h TYR 159 Cb 0.28 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 2hjk h TYR 159 CO 0.02 -0.08 0.23 -0.07 -1.64 0.00 0.00 178.16 176.62 2hjk h LEU 160 N -0.40 0.83 0.00 2.82 3.38 -0.25 0.42 115.31 122.12 2hjk h LEU 160 Ca -0.03 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2hjk h LEU 160 Cb 0.30 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2hjk h LEU 160 CO 0.05 0.76 -0.43 -0.33 0.09 0.00 0.00 178.44 178.58 2hjk h GLU 161 N 0.89 0.00 0.00 1.13 5.08 -1.12 -3.33 114.58 117.24 2hjk h GLU 161 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2hjk h GLU 161 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2hjk h GLU 161 CO -0.02 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.40 2hjk n GLY 162 N 1.31 0.67 0.32 -3.84 0.00 -0.77 -4.72 105.19 98.17 2hjk n GLY 162 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.11 2hjk n GLY 162 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2hjk h LEU 163 N 0.00 0.67 -0.05 0.99 3.38 -1.68 -0.66 115.31 117.96 2hjk h LEU 163 Ca 0.00 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2hjk h LEU 163 Cb 0.00 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2hjk h LEU 163 CO 0.00 0.34 -0.10 0.00 0.09 0.00 0.00 178.44 178.78 2hjk h VAL 165 N -0.14 1.27 -0.39 0.00 2.07 -1.51 -1.17 116.25 116.38 2hjk h VAL 165 Ca 0.05 -1.24 -0.08 0.00 0.82 0.00 0.00 66.70 66.25 2hjk h VAL 165 Cb 0.21 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2hjk h VAL 165 CO -0.13 0.43 -0.08 -0.33 0.02 0.00 0.00 177.57 177.47 2hjk h GLU 166 N 0.76 0.74 -0.25 1.57 5.08 -0.76 -1.50 114.58 120.22 2hjk h GLU 166 Ca 0.12 -0.28 -0.13 0.00 -1.00 0.00 0.00 59.36 58.07 2hjk h GLU 166 Cb 0.66 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2hjk h GLU 166 CO 0.05 0.88 -0.40 -1.49 -1.00 0.00 0.00 179.01 177.04 2hjk h TRP 167 N 0.55 0.69 -0.73 4.33 4.06 -0.72 -2.16 115.95 121.98 2hjk h TRP 167 Ca 0.10 -0.20 0.03 0.00 2.06 0.00 0.00 58.89 60.88 2hjk h TRP 167 Cb 0.60 -0.15 -0.04 0.00 -1.00 0.00 0.00 29.16 28.56 2hjk h TRP 167 CO 0.05 0.89 0.46 1.25 -3.56 0.00 0.00 178.44 177.53 2hjk h LEU 168 N 0.48 0.77 -0.55 -4.49 5.85 -1.00 -0.73 115.31 115.64 2hjk h LEU 168 Ca 0.04 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 2hjk h LEU 168 Cb 0.90 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 2hjk h LEU 168 CO 0.08 0.54 0.05 0.03 -0.34 0.00 0.00 178.44 178.80 2hjk h ARG 169 N 0.91 0.93 -0.08 1.25 3.08 -1.14 0.15 114.38 119.48 2hjk h ARG 169 Ca 0.29 -0.27 0.04 0.00 0.07 0.00 0.00 59.98 60.10 2hjk h ARG 169 Cb -0.01 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 2hjk h ARG 169 CO -0.10 0.92 -0.18 -0.09 -1.07 0.00 0.00 179.97 179.45 2hjk h ARG 170 N 0.82 -0.24 -0.94 0.04 2.43 -1.07 -1.24 114.38 114.18 2hjk h ARG 170 Ca 0.16 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.38 2hjk h ARG 170 Cb 0.46 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.01 2hjk h ARG 170 CO 0.02 -0.16 0.61 1.88 -1.51 0.00 0.00 179.97 180.81 2hjk h TYR 171 N -0.25 1.16 -0.44 2.20 0.05 -0.84 0.38 116.97 119.23 2hjk h TYR 171 Ca 0.08 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.82 2hjk h TYR 171 Cb 0.37 -0.39 -0.02 0.00 1.01 0.00 0.00 36.73 37.70 2hjk h TYR 171 CO -0.27 0.68 -0.02 -0.07 -1.05 0.00 0.00 178.16 177.43 2hjk h LEU 172 N 1.20 0.70 0.19 3.88 3.38 -0.69 0.22 115.31 124.21 2hjk h LEU 172 Ca 0.37 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2hjk h LEU 172 Cb -0.03 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.54 2hjk h LEU 172 CO -0.11 0.79 -0.09 -0.08 0.09 0.00 0.00 178.44 179.03 2hjk h GLU 173 N 0.68 -0.25 -0.55 1.13 4.57 -0.64 -2.33 114.58 117.20 2hjk h GLU 173 Ca 0.13 0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.39 2hjk h GLU 173 Cb 0.46 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.07 2hjk h GLU 173 CO 0.02 0.12 0.37 -0.91 -1.18 0.00 0.00 179.01 177.43 2hjk h ASN 174 N -0.68 0.45 -0.53 1.04 -0.26 -0.83 -2.30 115.58 112.47 2hjk h ASN 174 Ca -0.03 0.00 -0.19 0.00 -0.56 0.00 0.00 56.30 55.53 2hjk h ASN 174 Cb 0.48 -0.10 -0.11 0.00 -1.06 0.00 0.00 38.32 37.53 2hjk h ASN 174 CO 0.04 0.30 0.14 0.61 -1.06 0.00 0.00 177.43 177.47 2hjk n GLY 175 N -1.49 4.22 0.33 2.83 0.00 0.76 -4.76 105.19 107.08 2hjk n GLY 175 Ca 0.08 -1.09 0.09 0.00 0.00 0.00 0.00 46.02 45.10 2hjk n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2hjk h LYS 176 N 1.77 0.35 0.00 1.61 2.10 -0.82 0.19 116.57 121.77 2hjk h LYS 176 Ca 0.23 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.85 2hjk h LYS 176 Cb 1.98 -0.08 -0.00 0.00 -0.90 0.00 0.00 32.23 33.22 2hjk h LYS 176 CO 0.55 0.23 -0.03 0.93 -2.00 0.00 0.00 179.45 179.13 2hjk h GLU 177 N 0.37 0.00 0.00 0.07 5.08 -1.86 -2.58 114.58 115.66 2hjk h GLU 177 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2hjk h GLU 177 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2hjk h GLU 177 CO -0.05 0.03 -0.94 0.25 -1.00 0.00 0.00 179.01 177.31 2hjk n THR 178 N -3.27 0.00 -0.03 1.13 -2.24 -0.64 -4.45 114.28 104.77 2hjk n THR 178 Ca -0.02 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.78 2hjk n THR 178 Cb 0.18 -1.36 0.34 0.00 -2.10 0.00 0.00 70.33 67.39 2hjk n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2hjk h LEU 179 N 0.00 0.54 -3.68 3.22 3.38 -0.78 -2.54 115.31 115.46 2hjk h LEU 179 Ca 0.00 -0.05 -0.20 0.00 0.09 0.00 0.00 57.88 57.72 2hjk h LEU 179 Cb 0.94 -0.14 -0.12 0.00 0.09 0.00 0.00 40.66 41.43 2hjk h LEU 179 CO 0.00 0.48 0.23 0.00 0.09 0.00 0.00 178.44 179.24 2hjk n GLN 180 N -4.39 3.54 -4.10 1.13 6.02 -0.97 -4.87 117.38 113.74 2hjk n GLN 180 Ca 0.03 -3.08 -0.33 0.00 -0.01 0.00 0.00 57.00 53.61 2hjk n GLN 180 Cb 0.13 -2.16 -0.16 0.00 1.02 0.00 0.00 30.24 29.07 2hjk n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2hjk s ARG 181 N -3.01 2.78 0.00 -1.09 3.52 -0.96 -4.97 118.95 115.22 2hjk s ARG 181 Ca 0.54 -0.90 -0.22 0.00 -0.13 0.00 0.00 55.73 55.01 2hjk s ARG 181 Cb 0.43 -2.59 -0.05 0.00 -1.56 0.00 0.00 34.95 31.18 2hjk s ARG 181 CO 0.12 -0.28 0.67 0.00 -0.81 0.00 0.00 175.30 175.00 2hjk s ALA 182 N 1.27 3.42 -0.27 6.12 0.00 -1.26 -4.79 121.76 126.25 2hjk s ALA 182 Ca 0.02 0.13 -0.08 0.00 0.00 0.00 0.00 51.96 52.03 2hjk s ALA 182 Cb -0.14 -2.86 -0.02 0.00 0.00 0.00 0.00 23.12 20.09 2hjk s ALA 182 CO -0.11 0.08 0.11 -0.51 0.00 0.00 0.00 175.76 175.33 2hjk s ASP 183 N 0.04 5.34 0.69 0.00 1.01 0.85 -4.82 116.67 119.78 2hjk s ASP 183 Ca 0.35 -0.30 -0.13 0.00 0.71 0.00 0.00 52.55 53.18 2hjk s ASP 183 Cb -0.19 -1.96 0.01 0.00 1.01 0.00 0.00 42.92 41.79 2hjk s ASP 183 CO 0.19 -0.09 1.08 -2.16 0.21 0.00 0.00 175.17 174.40 2hjk s PRO 184 N 1.62 2.76 0.33 8.23 0.04 -1.26 -1.28 135.00 145.44 2hjk s PRO 184 Ca 0.06 1.17 -0.29 0.00 0.04 0.00 0.00 61.00 61.98 2hjk s PRO 184 Cb -0.16 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.32 2hjk s PRO 184 CO 0.05 -1.26 1.31 -1.25 0.04 0.00 0.00 177.00 175.89 2hjk s PRO 185 N -4.59 4.36 -0.14 0.56 0.04 -1.26 -4.38 135.00 129.58 2hjk s PRO 185 Ca 0.62 2.21 -0.27 0.00 0.04 0.00 0.00 61.00 63.61 2hjk s PRO 185 Cb -0.17 -3.07 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 2hjk s PRO 185 CO 0.49 -0.19 0.88 0.15 0.04 0.00 0.00 177.00 178.37 2hjk s LYS 186 N -1.73 4.34 0.14 4.56 3.01 0.48 -4.84 119.74 125.70 2hjk s LYS 186 Ca 0.49 1.13 0.11 0.00 -1.01 0.00 0.00 55.97 56.69 2hjk s LYS 186 Cb -0.40 -3.56 -0.04 0.00 -1.01 0.00 0.00 37.83 32.82 2hjk s LYS 186 CO 0.52 -0.31 -0.25 0.95 0.51 0.00 0.00 175.35 176.78 2hjk s THR 187 N 2.05 2.18 0.16 2.17 -4.23 -1.26 -0.50 115.64 116.22 2hjk s THR 187 Ca 0.41 -1.80 -0.24 0.00 -1.18 0.00 0.00 61.69 58.88 2hjk s THR 187 Cb -0.17 -1.96 0.06 0.00 1.34 0.00 0.00 72.50 71.77 2hjk s THR 187 CO 0.14 -0.00 0.81 -1.38 -0.54 0.00 0.00 174.62 173.65 2hjk s HIS 188 N -1.27 -0.26 -0.08 3.99 -3.43 -1.07 -5.00 115.29 108.17 2hjk s HIS 188 Ca 0.15 -0.04 0.02 0.00 -0.80 0.00 0.00 55.06 54.38 2hjk s HIS 188 Cb -0.09 0.63 -0.02 0.00 -1.43 0.00 0.00 32.58 31.66 2hjk s HIS 188 CO 0.07 -0.90 -0.14 0.08 -2.00 0.00 0.00 174.74 171.84 2hjk s VAL 189 N -3.53 3.04 0.28 -5.38 1.01 -1.26 -0.78 120.40 113.77 2hjk s VAL 189 Ca 0.09 -0.71 0.09 0.00 0.00 0.00 0.00 61.98 61.45 2hjk s VAL 189 Cb -0.03 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 2hjk s VAL 189 CO -0.01 0.56 0.01 0.42 0.00 0.00 0.00 175.10 176.08 2hjk s THR 190 N -0.28 3.35 -0.06 3.92 -4.23 0.46 -4.95 115.64 113.85 2hjk s THR 190 Ca 0.02 -1.91 0.01 0.00 -1.18 0.00 0.00 61.69 58.63 2hjk s THR 190 Cb -0.13 -2.84 0.02 0.00 1.34 0.00 0.00 72.50 70.89 2hjk s THR 190 CO 0.03 -0.35 -0.06 -2.28 -0.54 0.00 0.00 174.62 171.42 2hjk s HIS 191 N -2.35 1.00 -0.32 3.99 2.46 -1.26 -1.07 115.29 117.75 2hjk s HIS 191 Ca 0.32 -0.35 -0.01 0.00 0.47 0.00 0.00 55.06 55.48 2hjk s HIS 191 Cb -0.06 -0.86 0.10 0.00 -0.13 0.00 0.00 32.58 31.64 2hjk s HIS 191 CO 0.20 -0.28 0.12 -1.01 -2.47 0.00 0.00 174.74 171.30 2hjk s HIS 192 N 1.15 1.35 0.31 3.88 3.76 0.11 -4.97 115.29 120.87 2hjk s HIS 192 Ca -0.07 -1.58 -0.29 0.00 -0.15 0.00 0.00 55.06 52.97 2hjk s HIS 192 Cb -0.14 -1.50 -0.13 0.00 1.11 0.00 0.00 32.58 31.92 2hjk s HIS 192 CO -0.01 -0.86 1.23 -2.30 -0.85 0.00 0.00 174.74 171.95 2hjk n PRO 193 N 4.81 1.89 -0.04 8.40 -0.02 -1.26 -0.26 135.00 148.52 2hjk n PRO 193 Ca -0.01 0.66 -0.02 0.00 -2.02 0.00 0.00 63.50 62.11 2hjk n PRO 193 Cb 0.41 -2.20 -0.08 0.00 -0.02 0.00 0.00 33.50 31.61 2hjk n PRO 193 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 2hjk n ILE 194 N 0.60 0.50 -3.51 4.25 -5.35 -0.22 -4.83 119.36 110.80 2hjk n ILE 194 Ca 0.07 -0.38 -0.06 0.00 -0.27 0.00 0.00 62.75 62.12 2hjk n ILE 194 Cb 0.34 -0.46 0.01 0.00 -1.74 0.00 0.00 39.64 37.79 2hjk n ILE 194 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2hjk n SER 195 N -2.24 -1.28 0.26 7.28 3.41 -1.05 -4.98 113.62 115.02 2hjk n SER 195 Ca -0.13 -1.96 0.17 0.00 -0.26 0.00 0.00 58.87 56.70 2hjk n SER 195 Cb 0.68 2.16 0.79 0.00 -0.26 0.00 0.00 64.21 67.58 2hjk n SER 195 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2hjk h ASP 196 N 1.16 0.00 0.00 4.04 3.32 -2.04 -3.25 116.42 119.65 2hjk h ASP 196 Ca -0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.86 2hjk h ASP 196 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.27 2hjk h ASP 196 CO 0.25 0.00 -1.53 1.41 -1.72 0.00 0.00 179.24 177.64 2hjk n HIS 197 N -2.89 0.00 -4.05 4.55 8.25 -1.26 -4.77 115.22 115.04 2hjk n HIS 197 Ca -0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 2hjk n HIS 197 Cb 0.21 -0.28 -0.11 0.00 1.12 0.00 0.00 29.99 30.94 2hjk n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2hjk s GLU 198 N -2.85 0.51 0.02 -0.41 2.02 -1.23 -1.21 118.70 115.55 2hjk s GLU 198 Ca -0.04 -0.84 -0.04 0.00 0.02 0.00 0.00 54.97 54.07 2hjk s GLU 198 Cb 0.08 -0.10 -0.01 0.00 0.10 0.00 0.00 34.13 34.20 2hjk s GLU 198 CO 0.53 -0.01 0.06 0.00 0.02 0.00 0.00 175.26 175.86 2hjk s ALA 199 N -1.99 -0.08 -0.15 5.21 0.00 -0.55 -1.06 121.76 123.15 2hjk s ALA 199 Ca -0.07 -0.41 -0.17 0.00 0.00 0.00 0.00 51.96 51.31 2hjk s ALA 199 Cb -0.06 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 2hjk s ALA 199 CO -0.02 -0.20 0.43 0.99 0.00 0.00 0.00 175.76 176.96 2hjk s THR 200 N -1.62 5.20 -0.21 0.00 2.01 0.64 -0.29 115.64 121.37 2hjk s THR 200 Ca -0.14 0.84 -0.08 0.00 0.31 0.00 0.00 61.69 62.62 2hjk s THR 200 Cb -0.08 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 2hjk s THR 200 CO -0.01 0.31 0.09 -0.76 -0.69 0.00 0.00 174.62 173.56 2hjk s LEU 201 N 0.82 3.83 -0.15 4.42 1.43 -0.00 -0.71 118.68 128.32 2hjk s LEU 201 Ca 0.23 0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.38 2hjk s LEU 201 Cb -0.15 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.08 2hjk s LEU 201 CO 0.09 0.11 -0.20 -0.60 0.23 0.00 0.00 176.35 175.98 2hjk s ARG 202 N 0.78 3.09 -0.29 1.70 3.52 -0.23 -1.64 118.95 125.88 2hjk s ARG 202 Ca 0.05 -0.82 -0.12 0.00 -0.13 0.00 0.00 55.73 54.71 2hjk s ARG 202 Cb -0.13 -2.51 -0.04 0.00 -1.56 0.00 0.00 34.95 30.71 2hjk s ARG 202 CO 0.02 -0.01 0.22 0.00 -0.81 0.00 0.00 175.30 174.72 2hjk s TRP 204 N 1.80 3.51 -0.12 0.00 0.52 0.04 -1.62 118.94 123.08 2hjk s TRP 204 Ca 0.08 0.43 0.01 0.00 0.02 0.00 0.00 56.10 56.64 2hjk s TRP 204 Cb -0.16 -1.88 0.02 0.00 -1.15 0.00 0.00 33.47 30.29 2hjk s TRP 204 CO 0.11 0.68 -0.13 0.00 0.02 0.00 0.00 176.95 177.63 2hjk s ALA 205 N -1.08 1.60 0.08 0.98 0.00 -0.29 -2.60 121.76 120.45 2hjk s ALA 205 Ca 0.18 -0.70 0.06 0.00 0.00 0.00 0.00 51.96 51.50 2hjk s ALA 205 Cb -0.12 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.09 2hjk s ALA 205 CO 0.07 -0.21 -0.15 -0.51 0.00 0.00 0.00 175.76 174.96 2hjk s LEU 206 N 1.25 2.31 -1.00 0.00 1.43 0.35 -1.62 118.68 121.40 2hjk s LEU 206 Ca -0.02 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 2hjk s LEU 206 Cb -0.14 -0.55 0.00 0.00 0.03 0.00 0.00 46.19 45.53 2hjk s LEU 206 CO -0.05 -0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.06 2hjk n GLY 207 N 1.10 0.83 3.90 -3.19 0.00 -0.93 -0.39 105.19 106.52 2hjk n GLY 207 Ca -0.20 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 2hjk n GLY 207 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2hjk s PHE 208 N -2.40 3.47 -0.18 1.61 -0.71 -1.11 -4.71 117.98 113.96 2hjk s PHE 208 Ca 0.00 0.59 -0.11 0.00 -1.04 0.00 0.00 56.93 56.37 2hjk s PHE 208 Cb 0.00 -2.05 0.06 0.00 -1.21 0.00 0.00 43.02 39.82 2hjk s PHE 208 CO 0.00 0.31 0.44 -0.47 -1.34 0.00 0.00 175.22 174.16 2hjk s TYR 209 N -1.86 -0.61 0.51 3.49 6.14 -0.40 -0.56 117.35 124.05 2hjk s TYR 209 Ca 0.42 1.33 -0.09 0.00 0.64 0.00 0.00 57.07 59.38 2hjk s TYR 209 Cb -0.11 0.27 0.12 0.00 0.42 0.00 0.00 41.96 42.66 2hjk s TYR 209 CO 0.27 -0.34 0.65 -0.35 0.64 0.00 0.00 175.55 176.42 2hjk n PRO 210 N 4.00 -0.86 0.19 4.97 -0.04 -1.26 -0.10 135.00 141.90 2hjk n PRO 210 Ca -0.21 -1.00 0.07 0.00 -0.04 0.00 0.00 63.50 62.31 2hjk n PRO 210 Cb 0.56 -0.70 0.34 0.00 -0.04 0.00 0.00 33.50 33.65 2hjk n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hjk h ALA 211 N -1.97 0.96 -2.58 0.55 0.00 -1.94 -3.45 119.26 110.83 2hjk h ALA 211 Ca -0.21 -0.30 -0.53 0.00 0.00 0.00 0.00 54.91 53.87 2hjk h ALA 211 Cb 0.60 -0.05 0.04 0.00 0.00 0.00 0.00 17.79 18.37 2hjk h ALA 211 CO 0.15 0.42 0.87 -2.00 0.00 0.00 0.00 179.25 178.69 2hjk s GLU 212 N -3.53 4.23 0.00 0.00 2.56 -1.26 -4.97 118.70 115.72 2hjk s GLU 212 Ca 0.01 2.32 -0.27 0.00 0.00 0.00 0.00 54.97 57.02 2hjk s GLU 212 Cb 0.10 -3.21 0.06 0.00 2.00 0.00 0.00 34.13 33.08 2hjk s GLU 212 CO 0.68 -0.60 0.62 -1.50 -0.56 0.00 0.00 175.26 173.90 2hjk s ILE 213 N 1.29 0.01 -0.11 -3.70 -1.16 -1.26 -4.65 121.20 111.62 2hjk s ILE 213 Ca 0.70 -0.07 0.01 0.00 -0.51 0.00 0.00 60.65 60.78 2hjk s ILE 213 Cb -0.42 -0.97 0.02 0.00 0.61 0.00 0.00 42.46 41.69 2hjk s ILE 213 CO 0.31 -0.04 -0.13 -0.89 -2.81 0.00 0.00 174.94 171.38 2hjk s THR 214 N -1.81 1.39 -0.14 4.00 2.01 -0.73 -4.99 115.64 115.37 2hjk s THR 214 Ca -0.08 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.38 2hjk s THR 214 Cb -0.01 -1.30 0.01 0.00 0.01 0.00 0.00 72.50 71.21 2hjk s THR 214 CO 0.04 0.42 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.42 2hjk s LEU 215 N 1.16 2.14 -0.01 4.42 1.43 -1.26 -1.13 118.68 125.43 2hjk s LEU 215 Ca -0.03 -0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 52.45 2hjk s LEU 215 Cb -0.14 -1.45 -0.00 0.00 0.03 0.00 0.00 46.19 44.62 2hjk s LEU 215 CO -0.04 0.08 0.04 0.42 0.23 0.00 0.00 176.35 177.09 2hjk s THR 216 N 0.79 0.03 -0.11 5.49 -4.23 -0.80 -4.97 115.64 111.85 2hjk s THR 216 Ca -0.08 -0.29 -0.02 0.00 -1.18 0.00 0.00 61.69 60.13 2hjk s THR 216 Cb -0.16 -0.16 -0.03 0.00 1.34 0.00 0.00 72.50 73.50 2hjk s THR 216 CO -0.01 -0.16 -0.04 0.26 -0.54 0.00 0.00 174.62 174.13 2hjk s TRP 217 N -0.47 3.03 0.05 3.99 0.52 -1.26 -0.17 118.94 124.63 2hjk s TRP 217 Ca -0.05 -0.09 0.06 0.00 0.02 0.00 0.00 56.10 56.04 2hjk s TRP 217 Cb -0.03 -1.84 -0.04 0.00 -1.15 0.00 0.00 33.47 30.41 2hjk s TRP 217 CO -0.00 0.19 -0.12 -0.65 0.02 0.00 0.00 176.95 176.40 2hjk s GLN 218 N -0.28 2.24 -0.17 4.98 -0.21 0.15 -0.50 119.66 125.87 2hjk s GLN 218 Ca 0.05 -0.92 0.01 0.00 0.02 0.00 0.00 55.36 54.52 2hjk s GLN 218 Cb -0.13 -2.33 0.01 0.00 1.00 0.00 0.00 33.01 31.57 2hjk s GLN 218 CO 0.02 0.55 -0.19 0.50 -2.12 0.00 0.00 175.29 174.05 2hjk s ARG 219 N -1.72 3.05 -1.58 2.91 3.52 -0.13 -1.34 118.95 123.67 2hjk s ARG 219 Ca 0.18 -0.82 -0.13 0.00 -0.13 0.00 0.00 55.73 54.83 2hjk s ARG 219 Cb -0.11 -2.56 0.10 0.00 -1.56 0.00 0.00 34.95 30.82 2hjk s ARG 219 CO 0.09 -0.11 0.82 -0.25 -0.81 0.00 0.00 175.30 175.04 2hjk n ASP 220 N 4.37 -3.46 0.00 -2.12 8.00 0.05 -1.41 116.55 121.99 2hjk n ASP 220 Ca -0.20 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.39 2hjk n ASP 220 Cb 0.51 -3.33 0.00 0.00 -0.02 0.00 0.00 41.12 38.27 2hjk n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2hjk n GLY 221 N -1.60 0.57 3.50 0.44 0.00 -1.26 -5.00 105.19 101.83 2hjk n GLY 221 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2hjk n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hjk s GLU 222 N -0.30 3.72 0.18 1.61 2.12 -0.50 -5.00 118.70 120.52 2hjk s GLU 222 Ca 0.00 -0.47 -0.33 0.00 0.36 0.00 0.00 54.97 54.53 2hjk s GLU 222 Cb 0.00 -3.14 -0.13 0.00 0.26 0.00 0.00 34.13 31.11 2hjk s GLU 222 CO 0.00 0.06 1.58 -0.25 -0.54 0.00 0.00 175.26 176.10 2hjk n ASP 223 N 4.14 3.19 -2.49 -1.70 9.92 -1.26 -0.95 116.55 127.40 2hjk n ASP 223 Ca -0.17 1.09 -0.31 0.00 -0.53 0.00 0.00 54.79 54.87 2hjk n ASP 223 Cb 0.52 -1.45 0.02 0.00 -0.64 0.00 0.00 41.12 39.57 2hjk n ASP 223 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2hjk n GLN 224 N 3.27 2.48 -0.14 -1.24 1.13 0.35 -4.80 117.38 118.43 2hjk n GLN 224 Ca 0.16 -2.81 -0.07 0.00 -1.94 0.00 0.00 57.00 52.34 2hjk n GLN 224 Cb 0.30 -2.13 -0.01 0.00 0.11 0.00 0.00 30.24 28.52 2hjk n GLN 224 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 2hjk h THR 225 N 1.60 0.23 0.00 5.09 2.02 -1.90 0.47 112.91 120.42 2hjk h THR 225 Ca 0.48 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.66 2hjk h THR 225 Cb 0.55 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 2hjk h THR 225 CO 1.20 0.00 0.00 0.00 0.37 0.00 0.00 175.52 177.09 2hjk n GLN 226 N -5.42 0.18 -0.09 6.66 1.13 -1.26 -3.61 117.38 114.97 2hjk n GLN 226 Ca 0.02 0.36 0.04 0.00 -1.94 0.00 0.00 57.00 55.47 2hjk n GLN 226 Cb 0.34 -1.81 0.09 0.00 0.11 0.00 0.00 30.24 28.97 2hjk n GLN 226 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2hjk n ASP 227 N -2.14 2.39 -4.69 1.08 9.92 0.08 -4.99 116.55 118.20 2hjk n ASP 227 Ca 0.03 -1.84 -0.35 0.00 -0.53 0.00 0.00 54.79 52.10 2hjk n ASP 227 Cb 0.26 -0.12 -0.09 0.00 -0.64 0.00 0.00 41.12 40.53 2hjk n ASP 227 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2hjk s THR 228 N -0.91 5.26 -0.33 -3.53 2.01 -0.73 -4.58 115.64 112.82 2hjk s THR 228 Ca 0.14 0.14 -0.22 0.00 0.31 0.00 0.00 61.69 62.06 2hjk s THR 228 Cb 0.08 -3.41 0.00 0.00 0.01 0.00 0.00 72.50 69.18 2hjk s THR 228 CO 0.10 0.42 0.72 -0.70 -0.69 0.00 0.00 174.62 174.47 2hjk s GLU 229 N 0.55 3.82 -0.17 4.92 2.12 0.13 -4.90 118.70 125.17 2hjk s GLU 229 Ca 0.07 0.32 -0.03 0.00 0.36 0.00 0.00 54.97 55.68 2hjk s GLU 229 Cb -0.12 -3.77 -0.02 0.00 0.26 0.00 0.00 34.13 30.48 2hjk s GLU 229 CO 0.00 -0.72 -0.05 -0.51 -0.54 0.00 0.00 175.26 173.44 2hjk s LEU 230 N 2.87 3.13 0.40 2.70 1.43 -1.26 -0.38 118.68 127.57 2hjk s LEU 230 Ca 0.29 -0.20 -0.09 0.00 -1.03 0.00 0.00 54.13 53.09 2hjk s LEU 230 Cb -0.14 -1.76 -0.06 0.00 0.03 0.00 0.00 46.19 44.26 2hjk s LEU 230 CO 0.14 0.13 0.75 0.68 0.23 0.00 0.00 176.35 178.28 2hjk s VAL 231 N 0.60 4.82 0.40 -1.59 -7.23 -0.92 -5.03 120.40 111.44 2hjk s VAL 231 Ca -0.03 0.53 -0.27 0.00 -1.81 0.00 0.00 61.98 60.40 2hjk s VAL 231 Cb -0.15 -3.75 -0.09 0.00 0.56 0.00 0.00 36.38 32.96 2hjk s VAL 231 CO 0.03 -0.54 1.34 -0.70 -0.31 0.00 0.00 175.10 174.91 2hjk s GLU 232 N -3.92 4.01 0.30 4.82 2.12 -1.26 -4.62 118.70 120.14 2hjk s GLU 232 Ca 0.50 2.24 -0.30 0.00 0.36 0.00 0.00 54.97 57.77 2hjk s GLU 232 Cb -0.10 -2.82 -0.12 0.00 0.26 0.00 0.00 34.13 31.36 2hjk s GLU 232 CO 0.33 -0.49 1.59 2.41 -0.54 0.00 0.00 175.26 178.56 2hjk n THR 233 N 0.23 1.06 -4.33 -1.70 -1.04 -1.26 -4.85 114.28 102.39 2hjk n THR 233 Ca 0.03 -0.27 -0.19 0.00 -2.04 0.00 0.00 64.05 61.59 2hjk n THR 233 Cb 0.43 -1.97 -0.14 0.00 -1.82 0.00 0.00 70.33 66.83 2hjk n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hjk s ARG 234 N -0.58 0.82 0.24 -2.82 1.70 -0.50 -4.96 118.95 112.86 2hjk s ARG 234 Ca 0.64 -0.61 -0.30 0.00 -0.47 0.00 0.00 55.73 54.99 2hjk s ARG 234 Cb -0.49 -0.79 -0.09 0.00 -0.57 0.00 0.00 34.95 33.01 2hjk s ARG 234 CO 0.49 0.20 1.09 -1.25 -1.08 0.00 0.00 175.30 174.75 2hjk s PRO 235 N -0.87 4.63 0.31 3.89 0.04 -1.26 -0.66 135.00 141.07 2hjk s PRO 235 Ca 0.01 1.76 0.20 0.00 0.04 0.00 0.00 61.00 63.01 2hjk s PRO 235 Cb -0.07 -3.22 0.14 0.00 0.04 0.00 0.00 34.50 31.39 2hjk s PRO 235 CO 0.01 0.18 1.36 0.00 0.04 0.00 0.00 177.00 178.58 2hjk h ALA 236 N 4.30 0.77 0.00 8.56 0.00 -1.29 -3.47 119.26 128.13 2hjk h ALA 236 Ca -0.46 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2hjk h ALA 236 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2hjk h ALA 236 CO 0.69 0.27 0.00 0.41 0.00 0.00 0.00 179.25 180.62 2hjk n GLY 237 N 1.18 0.41 0.86 0.00 0.00 -1.26 -4.94 105.19 101.45 2hjk n GLY 237 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 2hjk n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2hjk n ASP 238 N 0.00 2.61 0.00 1.61 5.68 -1.26 -4.94 116.55 120.25 2hjk n ASP 238 Ca 0.00 -3.55 0.00 0.00 -0.50 0.00 0.00 54.79 50.74 2hjk n ASP 238 Cb 0.00 -0.57 0.00 0.00 -1.14 0.00 0.00 41.12 39.41 2hjk n ASP 238 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 2hjk n ARG 239 N -1.04 0.00 -2.63 0.11 1.85 -1.26 -5.04 116.66 108.64 2hjk n ARG 239 Ca 0.26 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.89 2hjk n ARG 239 Cb 0.89 -0.44 0.06 0.00 -1.05 0.00 0.00 32.46 31.92 2hjk n ARG 239 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2hjk s THR 240 N -1.75 2.46 0.28 8.89 -4.23 -1.26 -4.88 115.64 115.15 2hjk s THR 240 Ca 0.00 -0.65 0.05 0.00 -1.18 0.00 0.00 61.69 59.91 2hjk s THR 240 Cb 0.00 -2.81 -0.06 0.00 1.34 0.00 0.00 72.50 70.98 2hjk s THR 240 CO 0.00 0.00 -0.01 -0.36 -0.54 0.00 0.00 174.62 173.71 2hjk s PHE 241 N -2.89 1.86 0.05 3.99 0.40 0.28 -0.82 117.98 120.85 2hjk s PHE 241 Ca 0.61 -0.82 0.01 0.00 -0.60 0.00 0.00 56.93 56.13 2hjk s PHE 241 Cb -0.08 -1.12 -0.03 0.00 0.51 0.00 0.00 43.02 42.30 2hjk s PHE 241 CO 0.40 0.13 -0.06 -0.65 0.70 0.00 0.00 175.22 175.74 2hjk s GLN 242 N -3.80 0.56 -0.01 0.44 -0.21 0.16 -2.19 119.66 114.61 2hjk s GLN 242 Ca 0.31 -0.90 -0.27 0.00 0.02 0.00 0.00 55.36 54.52 2hjk s GLN 242 Cb 0.06 -0.14 0.06 0.00 1.00 0.00 0.00 33.01 33.99 2hjk s GLN 242 CO 0.12 -0.00 0.59 0.21 -2.12 0.00 0.00 175.29 174.09 2hjk s LYS 243 N -2.30 1.02 0.16 2.91 2.20 -0.64 -1.41 119.74 121.68 2hjk s LYS 243 Ca -0.05 0.06 0.02 0.00 -0.36 0.00 0.00 55.97 55.64 2hjk s LYS 243 Cb -0.05 0.47 -0.05 0.00 -1.51 0.00 0.00 37.83 36.70 2hjk s LYS 243 CO -0.02 -0.33 -0.02 1.67 -0.36 0.00 0.00 175.35 176.29 2hjk s TRP 244 N -1.62 1.15 -0.02 4.03 1.48 -1.26 -1.14 118.94 121.55 2hjk s TRP 244 Ca -0.09 -0.98 0.01 0.00 -1.06 0.00 0.00 56.10 53.98 2hjk s TRP 244 Cb -0.01 -0.65 0.01 0.00 -1.16 0.00 0.00 33.47 31.66 2hjk s TRP 244 CO 0.05 -0.18 -0.05 0.00 -4.06 0.00 0.00 176.95 172.71 2hjk s ALA 245 N -3.63 0.53 0.03 2.67 0.00 -0.64 -2.17 121.76 118.55 2hjk s ALA 245 Ca 0.21 -0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.05 2hjk s ALA 245 Cb 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 2hjk s ALA 245 CO 0.02 0.07 -0.10 0.00 0.00 0.00 0.00 175.76 175.75 2hjk s ALA 246 N 0.29 0.76 0.02 0.00 0.00 0.49 -0.67 121.76 122.65 2hjk s ALA 246 Ca -0.03 -0.67 0.04 0.00 0.00 0.00 0.00 51.96 51.30 2hjk s ALA 246 Cb -0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 2hjk s ALA 246 CO -0.00 0.10 -0.12 0.54 0.00 0.00 0.00 175.76 176.28 2hjk s VAL 247 N -0.90 0.91 -0.21 0.00 0.11 -0.65 -0.70 120.40 118.97 2hjk s VAL 247 Ca -0.03 -0.73 -0.15 0.00 -2.93 0.00 0.00 61.98 58.14 2hjk s VAL 247 Cb -0.07 -0.81 -0.04 0.00 -1.53 0.00 0.00 36.38 33.93 2hjk s VAL 247 CO 0.01 0.08 0.37 -0.69 -3.33 0.00 0.00 175.10 171.54 2hjk s VAL 248 N -0.60 5.22 0.07 2.04 1.01 -1.26 -0.82 120.40 126.05 2hjk s VAL 248 Ca 0.02 0.64 0.07 0.00 0.00 0.00 0.00 61.98 62.72 2hjk s VAL 248 Cb -0.06 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 2hjk s VAL 248 CO 0.00 0.26 -0.20 0.68 0.00 0.00 0.00 175.10 175.84 2hjk s VAL 249 N 1.29 1.65 0.21 2.92 -7.23 0.60 -4.95 120.40 114.88 2hjk s VAL 249 Ca 0.18 -1.32 -0.31 0.00 -1.81 0.00 0.00 61.98 58.72 2hjk s VAL 249 Cb -0.15 -1.46 -0.10 0.00 0.56 0.00 0.00 36.38 35.23 2hjk s VAL 249 CO 0.08 0.09 1.53 -2.84 -0.31 0.00 0.00 175.10 173.64 2hjk s PRO 250 N -1.46 4.22 0.18 4.82 0.02 -1.26 -1.49 135.00 140.04 2hjk s PRO 250 Ca 0.07 2.36 -0.33 0.00 0.02 0.00 0.00 61.00 63.12 2hjk s PRO 250 Cb -0.09 -3.12 -0.15 0.00 0.02 0.00 0.00 34.50 31.15 2hjk s PRO 250 CO 0.03 -0.54 1.22 0.43 -0.33 0.00 0.00 177.00 177.80 2hjk n SER 251 N 3.18 1.62 0.00 2.53 7.64 -0.35 -0.85 113.62 127.39 2hjk n SER 251 Ca 0.11 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.13 2hjk n SER 251 Cb 0.39 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 2hjk n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hjk n GLY 252 N 2.07 1.00 0.52 0.23 0.00 -1.26 -4.88 105.19 102.86 2hjk n GLY 252 Ca 0.14 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.21 2hjk n GLY 252 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2hjk n GLU 253 N -2.00 2.89 -0.17 1.61 1.02 -0.03 -4.75 120.64 119.20 2hjk n GLU 253 Ca 0.00 -1.97 0.08 0.00 -0.02 0.00 0.00 57.16 55.25 2hjk n GLU 253 Cb 0.00 -1.24 0.39 0.00 -0.02 0.00 0.00 31.44 30.57 2hjk n GLU 253 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2hjk h GLU 254 N 1.61 0.65 0.00 3.49 3.07 -1.90 -0.75 114.58 120.74 2hjk h GLU 254 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 2hjk h GLU 254 Cb 0.71 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 2hjk h GLU 254 CO 0.01 0.43 0.00 1.04 -1.40 0.00 0.00 179.01 179.09 2hjk n GLN 255 N -4.49 0.13 0.00 2.33 1.13 -1.26 -1.96 117.38 113.26 2hjk n GLN 255 Ca 0.11 0.14 0.15 0.00 -1.94 0.00 0.00 57.00 55.46 2hjk n GLN 255 Cb 0.30 -1.50 0.75 0.00 0.11 0.00 0.00 30.24 29.89 2hjk n GLN 255 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2hjk n ARG 256 N -1.40 0.81 -4.53 -1.09 1.74 -0.29 -4.85 116.66 107.06 2hjk n ARG 256 Ca 0.07 -0.17 -0.34 0.00 -0.77 0.00 0.00 57.85 56.64 2hjk n ARG 256 Cb 0.19 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.02 2hjk n ARG 256 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2hjk s TYR 257 N -2.30 2.98 -0.01 -1.55 1.51 -0.83 -0.77 117.35 116.38 2hjk s TYR 257 Ca 0.36 -0.15 0.03 0.00 -1.01 0.00 0.00 57.07 56.30 2hjk s TYR 257 Cb 0.21 -1.83 -0.01 0.00 -0.11 0.00 0.00 41.96 40.22 2hjk s TYR 257 CO 0.43 0.15 -0.11 0.95 -1.11 0.00 0.00 175.55 175.85 2hjk s THR 258 N -0.24 0.89 -0.14 -0.71 -4.23 -0.45 -4.61 115.64 106.15 2hjk s THR 258 Ca 0.04 -0.50 -0.08 0.00 -1.18 0.00 0.00 61.69 59.97 2hjk s THR 258 Cb -0.13 -0.75 -0.04 0.00 1.34 0.00 0.00 72.50 72.92 2hjk s THR 258 CO 0.02 0.24 0.13 0.00 -0.54 0.00 0.00 174.62 174.47 2hjk s HIS 260 N -0.60 2.50 -0.13 0.00 3.76 0.77 0.17 115.29 121.76 2hjk s HIS 260 Ca 0.13 -0.98 0.01 0.00 -0.15 0.00 0.00 55.06 54.06 2hjk s HIS 260 Cb -0.12 -1.67 0.02 0.00 1.11 0.00 0.00 32.58 31.93 2hjk s HIS 260 CO 0.02 -0.38 -0.13 0.08 -0.85 0.00 0.00 174.74 173.48 2hjk s VAL 261 N 0.27 1.46 -0.12 -0.90 1.01 -0.12 -1.90 120.40 120.10 2hjk s VAL 261 Ca -0.16 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.26 2hjk s VAL 261 Cb -0.17 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 2hjk s VAL 261 CO 0.08 0.44 -0.18 -1.10 0.00 0.00 0.00 175.10 174.33 2hjk s GLN 262 N 1.37 3.22 -0.10 2.72 -0.21 -0.29 -0.98 119.66 125.40 2hjk s GLN 262 Ca 0.02 -0.78 -0.21 0.00 0.02 0.00 0.00 55.36 54.41 2hjk s GLN 262 Cb -0.13 -2.47 0.05 0.00 1.00 0.00 0.00 33.01 31.45 2hjk s GLN 262 CO -0.08 0.19 0.50 -1.58 -2.12 0.00 0.00 175.29 172.20 2hjk s HIS 263 N 0.35 -0.47 0.56 0.91 2.46 -1.26 -1.78 115.29 116.06 2hjk s HIS 263 Ca -0.15 0.96 0.28 0.00 0.47 0.00 0.00 55.06 56.61 2hjk s HIS 263 Cb -0.17 0.22 1.47 0.00 -0.13 0.00 0.00 32.58 33.97 2hjk s HIS 263 CO 0.07 -0.40 1.97 1.49 -2.47 0.00 0.00 174.74 175.40 2hjk h GLU 264 N 4.21 0.00 -0.00 2.88 4.81 -1.94 -1.03 114.58 123.51 2hjk h GLU 264 Ca -0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 2hjk h GLU 264 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2hjk h GLU 264 CO 0.31 0.00 -0.01 0.41 -0.73 0.00 0.00 179.01 178.99 2hjk n GLY 265 N -1.58 -1.03 3.75 1.92 0.00 -1.26 -4.81 105.19 102.18 2hjk n GLY 265 Ca 0.09 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 2hjk n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hjk s LEU 266 N -2.20 4.24 0.46 0.99 1.43 -0.39 -4.44 118.68 118.77 2hjk s LEU 266 Ca 0.40 0.31 0.14 0.00 -1.03 0.00 0.00 54.13 53.95 2hjk s LEU 266 Cb 0.21 -2.12 1.05 0.00 0.03 0.00 0.00 46.19 45.36 2hjk s LEU 266 CO 0.40 0.21 2.04 1.55 0.23 0.00 0.00 176.35 180.78 2hjk h PRO 267 N 6.39 0.08 -3.50 1.29 0.13 -1.87 -3.45 132.00 131.07 2hjk h PRO 267 Ca -0.43 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.61 2hjk h PRO 267 Cb 1.16 -0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.14 2hjk h PRO 267 CO 0.73 0.16 -0.21 -1.59 -0.23 0.00 0.00 178.00 176.86 2hjk s LYS 268 N -4.88 0.93 0.67 0.86 -2.85 -1.26 -5.15 119.74 108.05 2hjk s LYS 268 Ca -0.05 -0.74 -0.17 0.00 -1.00 0.00 0.00 55.97 54.01 2hjk s LYS 268 Cb 0.16 0.40 -0.00 0.00 -2.06 0.00 0.00 37.83 36.33 2hjk s LYS 268 CO 0.70 -0.33 1.14 -2.30 0.10 0.00 0.00 175.35 174.66 2hjk n PRO 269 N 0.04 0.83 -4.05 1.78 -0.02 -1.26 -4.95 135.00 127.36 2hjk n PRO 269 Ca -0.16 0.34 -0.30 0.00 -2.02 0.00 0.00 63.50 61.35 2hjk n PRO 269 Cb 0.62 -2.38 -0.07 0.00 -0.02 0.00 0.00 33.50 31.66 2hjk n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2hjk s LEU 270 N -3.76 3.79 -0.12 2.45 1.43 -0.15 -4.92 118.68 117.39 2hjk s LEU 270 Ca 0.78 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 2hjk s LEU 270 Cb -0.37 -2.47 0.02 0.00 0.03 0.00 0.00 46.19 43.41 2hjk s LEU 270 CO 0.45 0.17 -0.11 -0.89 0.23 0.00 0.00 176.35 176.21 2hjk s THR 271 N -1.38 1.25 0.07 5.49 2.01 -1.26 -0.95 115.64 120.87 2hjk s THR 271 Ca 0.29 -0.44 0.08 0.00 0.31 0.00 0.00 61.69 61.93 2hjk s THR 271 Cb -0.12 -1.21 -0.03 0.00 0.01 0.00 0.00 72.50 71.14 2hjk s THR 271 CO 0.22 0.40 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.61 2hjk s LEU 272 N 1.51 2.64 0.23 4.42 1.02 0.13 -4.94 118.68 123.68 2hjk s LEU 272 Ca 0.03 -0.47 0.04 0.00 0.02 0.00 0.00 54.13 53.74 2hjk s LEU 272 Cb -0.13 -1.53 -0.05 0.00 0.02 0.00 0.00 46.19 44.50 2hjk s LEU 272 CO -0.08 0.23 -0.02 0.00 0.02 0.00 0.00 176.35 176.50 2hjk s ARG 273 N -1.69 1.33 0.00 1.70 1.70 -1.26 -0.07 118.95 120.67 2hjk s ARG 273 Ca 0.16 -1.67 0.30 0.00 -0.47 0.00 0.00 55.73 54.05 2hjk s ARG 273 Cb -0.11 -0.67 1.78 0.00 -0.57 0.00 0.00 34.95 35.38 2hjk s ARG 273 CO 0.07 -0.07 2.11 1.87 -1.08 0.00 0.00 175.30 178.20