#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t22 s SER 2 N 0.00 6.23 0.23 1.61 1.04 -1.26 -3.89 113.70 117.65 1t22 s SER 2 Ca 0.00 1.41 -0.06 0.00 0.48 0.00 0.00 55.95 57.79 1t22 s SER 2 Cb 0.00 -2.47 -0.02 0.00 0.10 0.00 0.00 66.02 63.63 1t22 s SER 2 CO 0.00 -0.86 0.28 -1.00 0.98 0.00 0.00 173.24 172.64 1t22 s HIS 3 N -3.17 0.86 0.19 5.02 0.09 0.07 -4.97 115.29 113.38 1t22 s HIS 3 Ca 0.55 -1.13 -0.21 0.00 -0.00 0.00 0.00 55.06 54.27 1t22 s HIS 3 Cb -0.11 -0.25 0.05 0.00 -0.00 0.00 0.00 32.58 32.27 1t22 s HIS 3 CO 0.54 -0.80 0.60 -1.54 -0.00 0.00 0.00 174.74 173.54 1t22 s SER 4 N -3.11 -0.44 -0.04 1.40 1.04 -1.26 -0.73 113.70 110.56 1t22 s SER 4 Ca 0.32 -0.22 0.03 0.00 0.48 0.00 0.00 55.95 56.56 1t22 s SER 4 Cb 0.04 0.62 0.01 0.00 0.10 0.00 0.00 66.02 66.78 1t22 s SER 4 CO 0.11 -1.05 -0.11 -0.32 0.98 0.00 0.00 173.24 172.85 1t22 s MET 5 N -3.81 1.33 0.01 4.02 -2.45 -0.73 -0.34 119.30 117.32 1t22 s MET 5 Ca 0.04 -0.38 -0.01 0.00 -1.25 0.00 0.00 55.69 54.09 1t22 s MET 5 Cb -0.02 -1.17 -0.01 0.00 1.25 0.00 0.00 34.83 34.88 1t22 s MET 5 CO -0.07 0.10 0.01 1.03 1.05 0.00 0.00 175.02 177.14 1t22 s ARG 6 N 0.35 0.26 -0.05 4.11 0.52 0.86 -2.24 118.95 122.76 1t22 s ARG 6 Ca -0.07 -0.39 0.04 0.00 -0.52 0.00 0.00 55.73 54.79 1t22 s ARG 6 Cb -0.12 0.10 -0.00 0.00 0.52 0.00 0.00 34.95 35.45 1t22 s ARG 6 CO 0.02 -0.05 -0.18 0.71 0.02 0.00 0.00 175.30 175.82 1t22 s TYR 7 N -1.02 1.88 -0.08 -0.53 1.51 -0.54 0.46 117.35 119.03 1t22 s TYR 7 Ca -0.11 -0.59 0.05 0.00 -1.01 0.00 0.00 57.07 55.40 1t22 s TYR 7 Cb -0.07 -1.27 -0.01 0.00 -0.11 0.00 0.00 41.96 40.51 1t22 s TYR 7 CO -0.00 -0.22 -0.24 -0.06 -1.11 0.00 0.00 175.55 173.92 1t22 s PHE 8 N 0.13 2.52 -0.07 2.71 0.40 -0.61 -2.25 117.98 120.80 1t22 s PHE 8 Ca -0.07 -0.89 0.02 0.00 -0.60 0.00 0.00 56.93 55.39 1t22 s PHE 8 Cb -0.13 -1.66 0.01 0.00 0.51 0.00 0.00 43.02 41.75 1t22 s PHE 8 CO 0.03 -0.32 -0.12 -0.06 0.70 0.00 0.00 175.22 175.46 1t22 s PHE 9 N 0.11 1.47 -0.04 0.36 0.08 0.17 -1.70 117.98 118.43 1t22 s PHE 9 Ca -0.12 -0.58 0.04 0.00 0.12 0.00 0.00 56.93 56.39 1t22 s PHE 9 Cb -0.16 -1.10 0.00 0.00 -0.57 0.00 0.00 43.02 41.19 1t22 s PHE 9 CO 0.06 -0.32 -0.15 0.99 -0.10 0.00 0.00 175.22 175.71 1t22 s THR 10 N 0.82 1.26 -0.04 0.64 2.01 -0.12 -1.49 115.64 118.73 1t22 s THR 10 Ca -0.12 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.29 1t22 s THR 10 Cb -0.15 -1.10 0.01 0.00 0.01 0.00 0.00 72.50 71.27 1t22 s THR 10 CO 0.02 0.37 -0.06 -0.44 -0.69 0.00 0.00 174.62 173.82 1t22 s SER 11 N 0.19 1.01 -0.13 3.53 0.01 -0.71 -0.64 113.70 116.95 1t22 s SER 11 Ca -0.06 -0.15 0.01 0.00 1.31 0.00 0.00 55.95 57.06 1t22 s SER 11 Cb -0.12 -0.41 0.02 0.00 0.21 0.00 0.00 66.02 65.72 1t22 s SER 11 CO 0.02 -0.01 -0.13 -0.69 0.41 0.00 0.00 173.24 172.84 1t22 s VAL 12 N 0.63 1.44 0.61 3.43 1.01 -0.35 -1.16 120.40 126.01 1t22 s VAL 12 Ca -0.09 -0.57 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 1t22 s VAL 12 Cb -0.12 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 1t22 s VAL 12 CO 0.01 0.43 1.13 -0.94 0.00 0.00 0.00 175.10 175.73 1t22 s SER 13 N 1.34 5.35 -0.51 3.32 1.04 0.64 -0.84 113.70 124.03 1t22 s SER 13 Ca 0.01 2.11 0.06 0.00 0.48 0.00 0.00 55.95 58.60 1t22 s SER 13 Cb -0.14 -2.57 0.21 0.00 0.10 0.00 0.00 66.02 63.63 1t22 s SER 13 CO -0.07 -1.47 0.52 0.54 0.98 0.00 0.00 173.24 173.74 1t22 n ARG 14 N -1.89 1.18 -0.30 4.02 1.74 -1.26 -4.35 116.66 115.80 1t22 n ARG 14 Ca 0.11 -3.77 0.21 0.00 -0.77 0.00 0.00 57.85 53.64 1t22 n ARG 14 Cb 0.51 -1.77 0.50 0.00 -1.02 0.00 0.00 32.46 30.69 1t22 n ARG 14 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1t22 h PRO 15 N 4.73 0.40 -0.24 5.56 0.13 -1.85 -1.40 132.00 139.34 1t22 h PRO 15 Ca 0.17 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.26 1t22 h PRO 15 Cb 0.82 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 1t22 h PRO 15 CO 0.57 0.26 0.10 0.78 -0.23 0.00 0.00 178.00 179.49 1t22 h GLY 16 N 0.41 0.35 0.00 1.56 0.00 -1.90 -3.46 103.07 100.03 1t22 h GLY 16 Ca 0.55 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1t22 h GLY 16 CO -0.25 0.14 0.00 -2.13 0.00 0.00 0.00 176.54 174.30 1t22 n ARG 17 N -4.45 0.00 0.00 4.80 0.63 -0.53 -5.17 116.66 111.94 1t22 n ARG 17 Ca 0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 1t22 n ARG 17 Cb 0.11 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.02 1t22 n ARG 17 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1t22 n GLY 18 N -0.04 -1.90 3.98 5.14 0.00 -1.26 -4.83 105.19 106.29 1t22 n GLY 18 Ca 0.00 -1.54 -0.20 0.00 0.00 0.00 0.00 46.02 44.29 1t22 n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1t22 s GLU 19 N 0.00 2.65 0.63 1.61 2.02 -1.26 -4.70 118.70 119.65 1t22 s GLU 19 Ca 0.00 -0.92 -0.18 0.00 0.02 0.00 0.00 54.97 53.88 1t22 s GLU 19 Cb 0.00 -2.58 -0.02 0.00 0.10 0.00 0.00 34.13 31.63 1t22 s GLU 19 CO 0.00 -0.56 1.26 -2.14 0.02 0.00 0.00 175.26 173.84 1t22 s PRO 20 N -4.62 2.71 0.06 0.39 0.02 -1.26 -4.50 135.00 127.80 1t22 s PRO 20 Ca 0.56 1.96 -0.30 0.00 0.02 0.00 0.00 61.00 63.24 1t22 s PRO 20 Cb -0.10 -1.88 -0.05 0.00 0.02 0.00 0.00 34.50 32.49 1t22 s PRO 20 CO 0.37 -1.45 1.11 0.50 -0.33 0.00 0.00 177.00 177.19 1t22 s ARG 21 N -3.38 4.51 -0.12 5.54 6.06 -0.02 -4.82 118.95 126.72 1t22 s ARG 21 Ca 0.80 1.64 0.01 0.00 -2.50 0.00 0.00 55.73 55.68 1t22 s ARG 21 Cb -0.34 -3.37 0.02 0.00 0.06 0.00 0.00 34.95 31.31 1t22 s ARG 21 CO 0.37 -0.12 -0.13 0.12 -2.50 0.00 0.00 175.30 173.04 1t22 s PHE 22 N 0.79 1.90 -0.09 5.12 5.36 -1.26 -1.21 117.98 128.60 1t22 s PHE 22 Ca 0.55 -0.94 -0.00 0.00 -0.96 0.00 0.00 56.93 55.58 1t22 s PHE 22 Cb -0.27 -1.41 0.02 0.00 -0.34 0.00 0.00 43.02 41.03 1t22 s PHE 22 CO 0.30 -0.51 -0.05 0.42 -1.46 0.00 0.00 175.22 173.91 1t22 s ILE 23 N 1.20 0.76 -0.03 3.12 1.01 0.18 -0.60 121.20 126.84 1t22 s ILE 23 Ca -0.02 -0.15 0.07 0.00 0.00 0.00 0.00 60.65 60.54 1t22 s ILE 23 Cb -0.14 -0.81 -0.02 0.00 0.01 0.00 0.00 42.46 41.50 1t22 s ILE 23 CO -0.04 0.31 -0.24 0.00 0.00 0.00 0.00 174.94 174.97 1t22 s ALA 24 N 1.58 2.00 -0.00 9.38 0.00 0.26 -0.94 121.76 134.04 1t22 s ALA 24 Ca 0.01 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 50.97 1t22 s ALA 24 Cb -0.13 -0.54 -0.00 0.00 0.00 0.00 0.00 23.12 22.44 1t22 s ALA 24 CO -0.05 0.46 -0.05 0.14 0.00 0.00 0.00 175.76 176.26 1t22 s VAL 25 N -0.43 0.38 -0.03 0.00 -7.23 -0.69 -0.37 120.40 112.03 1t22 s VAL 25 Ca 0.05 -0.25 0.04 0.00 -1.81 0.00 0.00 61.98 60.02 1t22 s VAL 25 Cb -0.10 -0.33 -0.03 0.00 0.56 0.00 0.00 36.38 36.47 1t22 s VAL 25 CO 0.00 0.08 -0.14 -0.83 -0.31 0.00 0.00 175.10 173.91 1t22 s GLY 26 N -0.18 1.56 0.05 2.32 0.00 -0.29 -1.57 107.32 109.20 1t22 s GLY 26 Ca 0.01 -1.01 0.05 0.00 0.00 0.00 0.00 44.72 43.77 1t22 s GLY 26 CO -0.00 -0.82 -0.13 -0.19 0.00 0.00 0.00 173.10 171.96 1t22 s TYR 27 N -0.78 1.16 -0.19 1.90 1.51 0.17 -0.42 117.35 120.70 1t22 s TYR 27 Ca 0.12 -0.38 0.01 0.00 -1.01 0.00 0.00 57.07 55.81 1t22 s TYR 27 Cb -0.11 -0.68 0.02 0.00 -0.11 0.00 0.00 41.96 41.08 1t22 s TYR 27 CO 0.02 0.03 -0.18 0.08 -1.11 0.00 0.00 175.55 174.39 1t22 s VAL 28 N -0.96 2.17 0.00 0.71 1.01 0.36 -0.10 120.40 123.59 1t22 s VAL 28 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1t22 s VAL 28 Cb -0.08 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.35 1t22 s VAL 28 CO 0.01 0.48 0.00 0.47 0.00 0.00 0.00 175.10 176.06 1t22 n ASP 29 N 4.62 0.00 -1.94 3.32 8.00 0.53 -0.15 116.55 130.93 1t22 n ASP 29 Ca -0.20 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.27 1t22 n ASP 29 Cb 0.49 0.00 0.32 0.00 -0.02 0.00 0.00 41.12 41.91 1t22 n ASP 29 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1t22 n ASP 30 N 4.12 4.93 -4.29 -2.24 8.00 -1.26 -4.89 116.55 120.92 1t22 n ASP 30 Ca 0.00 -3.18 -0.35 0.00 0.71 0.00 0.00 54.79 51.96 1t22 n ASP 30 Cb 0.00 -0.73 -0.14 0.00 -0.02 0.00 0.00 41.12 40.23 1t22 n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1t22 s THR 31 N -2.96 3.35 0.08 -3.53 2.01 0.78 -5.02 115.64 110.35 1t22 s THR 31 Ca 0.55 -0.60 -0.30 0.00 0.31 0.00 0.00 61.69 61.64 1t22 s THR 31 Cb 0.43 -2.57 -0.06 0.00 0.01 0.00 0.00 72.50 70.32 1t22 s THR 31 CO 0.14 0.35 1.16 -1.58 -0.69 0.00 0.00 174.62 174.00 1t22 s GLN 32 N 1.46 4.47 -0.00 4.92 0.74 -1.26 -0.49 119.66 129.50 1t22 s GLN 32 Ca 0.05 1.73 0.01 0.00 0.05 0.00 0.00 55.36 57.19 1t22 s GLN 32 Cb -0.15 -3.34 -0.01 0.00 1.10 0.00 0.00 33.01 30.60 1t22 s GLN 32 CO -0.03 -0.17 0.02 1.97 -0.55 0.00 0.00 175.29 176.53 1t22 n PHE 33 N 3.61 0.00 -4.13 1.67 -1.74 0.44 -4.21 117.46 113.11 1t22 n PHE 33 Ca 0.07 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.87 1t22 n PHE 33 Cb 0.47 -0.02 -0.10 0.00 1.52 0.00 0.00 39.48 41.35 1t22 n PHE 33 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 1t22 s VAL 34 N -1.96 0.09 0.01 1.97 -7.23 -1.22 0.43 120.40 112.49 1t22 s VAL 34 Ca -0.00 -1.85 -0.28 0.00 -1.81 0.00 0.00 61.98 58.04 1t22 s VAL 34 Cb 0.01 -2.06 0.09 0.00 0.56 0.00 0.00 36.38 34.97 1t22 s VAL 34 CO 0.03 -0.40 0.77 0.00 -0.31 0.00 0.00 175.10 175.19 1t22 s ARG 35 N -4.05 0.98 -0.08 4.82 1.70 -0.62 -1.13 118.95 120.57 1t22 s ARG 35 Ca 0.25 -0.16 -0.05 0.00 -0.47 0.00 0.00 55.73 55.30 1t22 s ARG 35 Cb 0.07 0.46 0.04 0.00 -0.57 0.00 0.00 34.95 34.94 1t22 s ARG 35 CO 0.03 -0.39 0.19 0.12 -1.08 0.00 0.00 175.30 174.17 1t22 s PHE 36 N -2.58 -0.24 -0.11 5.89 5.36 0.50 -0.49 117.98 126.31 1t22 s PHE 36 Ca -0.01 0.60 -0.01 0.00 -0.96 0.00 0.00 56.93 56.55 1t22 s PHE 36 Cb -0.01 -0.00 0.04 0.00 -0.34 0.00 0.00 43.02 42.71 1t22 s PHE 36 CO -0.04 -0.18 -0.01 0.34 -1.46 0.00 0.00 175.22 173.87 1t22 s ASP 37 N 0.97 2.07 0.67 6.13 -1.08 -1.26 -0.57 116.67 123.60 1t22 s ASP 37 Ca -0.07 -0.33 0.40 0.00 -0.52 0.00 0.00 52.55 52.03 1t22 s ASP 37 Cb -0.09 -0.58 2.18 0.00 -1.46 0.00 0.00 42.92 42.98 1t22 s ASP 37 CO -0.06 -0.21 2.23 0.77 0.52 0.00 0.00 175.17 178.43 1t22 h SER 38 N 8.27 0.00 1.36 -0.34 4.64 -1.24 0.31 113.55 126.55 1t22 h SER 38 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1t22 h SER 38 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1t22 h SER 38 CO 0.31 0.00 -0.22 -0.78 -0.87 0.00 0.00 176.83 175.28 1t22 h ASP 39 N 0.00 0.00 -4.29 4.97 3.58 -1.95 -3.47 116.42 115.26 1t22 h ASP 39 Ca 0.00 -0.06 -0.51 0.00 0.42 0.00 0.00 57.03 56.89 1t22 h ASP 39 Cb 0.21 0.00 0.12 0.00 1.72 0.00 0.00 39.33 41.38 1t22 h ASP 39 CO -0.00 0.03 0.33 0.00 -2.88 0.00 0.00 179.24 176.72 1t22 s ALA 40 N -3.15 2.30 0.08 -0.78 0.00 0.11 -4.98 121.76 115.34 1t22 s ALA 40 Ca 0.08 0.10 -0.09 0.00 0.00 0.00 0.00 51.96 52.05 1t22 s ALA 40 Cb 0.11 -3.21 -0.24 0.00 0.00 0.00 0.00 23.12 19.79 1t22 s ALA 40 CO 0.65 -1.66 1.16 0.00 0.00 0.00 0.00 175.76 175.91 1t22 h ALA 41 N -1.05 0.11 -0.71 0.00 0.00 -1.91 -3.34 119.26 112.38 1t22 h ALA 41 Ca -0.45 -0.79 0.01 0.00 0.00 0.00 0.00 54.91 53.68 1t22 h ALA 41 Cb 1.24 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 1t22 h ALA 41 CO 0.55 0.80 0.47 0.66 0.00 0.00 0.00 179.25 181.73 1t22 h SER 42 N 0.20 0.80 -4.56 0.00 4.64 -1.93 -3.46 113.55 109.24 1t22 h SER 42 Ca -0.15 -0.02 -0.40 0.00 -0.47 0.00 0.00 61.79 60.76 1t22 h SER 42 Cb 1.86 -0.20 0.02 0.00 -0.31 0.00 0.00 62.40 63.77 1t22 h SER 42 CO 0.21 0.58 -0.58 0.00 -0.87 0.00 0.00 176.83 176.16 1t22 n GLN 43 N -4.43 -4.30 -4.15 4.77 1.13 -1.26 -4.98 117.38 104.16 1t22 n GLN 43 Ca 0.08 0.82 -0.15 0.00 -1.94 0.00 0.00 57.00 55.80 1t22 n GLN 43 Cb 0.05 -5.63 -0.11 0.00 0.11 0.00 0.00 30.24 24.65 1t22 n GLN 43 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1t22 s ARG 44 N -5.70 0.78 0.25 -1.09 1.81 -1.26 -5.04 118.95 108.70 1t22 s ARG 44 Ca 0.29 -1.02 -0.30 0.00 -1.72 0.00 0.00 55.73 52.99 1t22 s ARG 44 Cb -0.14 -0.58 -0.10 0.00 -0.45 0.00 0.00 34.95 33.69 1t22 s ARG 44 CO 0.36 0.11 1.37 1.41 -0.68 0.00 0.00 175.30 177.87 1t22 s MET 45 N -2.23 4.33 0.13 3.54 -2.45 -1.26 -4.70 119.30 116.65 1t22 s MET 45 Ca 0.00 2.20 0.11 0.00 -1.25 0.00 0.00 55.69 56.75 1t22 s MET 45 Cb -0.06 -3.13 -0.04 0.00 1.25 0.00 0.00 34.83 32.85 1t22 s MET 45 CO 0.01 -0.31 -0.26 -1.21 1.05 0.00 0.00 175.02 174.29 1t22 s GLU 46 N -0.60 1.37 0.43 4.11 2.02 0.36 -4.90 118.70 121.49 1t22 s GLU 46 Ca 0.56 -1.33 -0.22 0.00 0.02 0.00 0.00 54.97 54.00 1t22 s GLU 46 Cb -0.40 -1.85 -0.09 0.00 0.10 0.00 0.00 34.13 31.89 1t22 s GLU 46 CO 0.44 0.44 1.01 -1.25 0.02 0.00 0.00 175.26 175.91 1t22 s PRO 47 N -2.06 4.10 0.00 0.39 0.04 -1.26 -1.59 135.00 134.62 1t22 s PRO 47 Ca 0.13 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.51 1t22 s PRO 47 Cb -0.10 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1t22 s PRO 47 CO 0.06 -0.17 0.22 0.54 0.04 0.00 0.00 177.00 177.70 1t22 n ARG 48 N -0.47 0.23 -3.87 4.56 5.12 0.17 -4.87 116.66 117.53 1t22 n ARG 48 Ca 0.07 -0.22 -0.12 0.00 -1.93 0.00 0.00 57.85 55.65 1t22 n ARG 48 Cb 0.52 -0.68 -0.13 0.00 -1.16 0.00 0.00 32.46 31.01 1t22 n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1t22 s ALA 49 N -0.10 -0.13 0.26 7.54 0.00 -1.20 -4.75 121.76 123.39 1t22 s ALA 49 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 51.96 52.00 1t22 s ALA 49 Cb 0.00 -0.06 0.48 0.00 0.00 0.00 0.00 23.12 23.54 1t22 s ALA 49 CO 0.00 -0.06 1.81 -1.00 0.00 0.00 0.00 175.76 176.51 1t22 h PRO 50 N 5.78 0.81 0.00 0.00 0.13 -1.96 -2.52 132.00 134.24 1t22 h PRO 50 Ca -0.26 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1t22 h PRO 50 Cb 1.21 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1t22 h PRO 50 CO 0.46 0.53 0.00 -2.67 -0.23 0.00 0.00 178.00 176.09 1t22 n TRP 51 N -4.72 0.67 0.21 1.56 4.27 -1.26 -1.85 117.44 116.32 1t22 n TRP 51 Ca 0.16 0.29 0.12 0.00 -3.89 0.00 0.00 57.50 54.17 1t22 n TRP 51 Cb 0.33 -0.96 0.03 0.00 -1.36 0.00 0.00 31.31 29.35 1t22 n TRP 51 CO 0.00 0.00 0.00 1.51 -2.29 0.00 0.00 177.69 176.91 1t22 n ILE 52 N -2.13 0.55 0.31 -1.67 0.13 -0.95 -3.87 119.36 111.72 1t22 n ILE 52 Ca 0.01 -0.49 0.20 0.00 -1.10 0.00 0.00 62.75 61.38 1t22 n ILE 52 Cb 0.17 -0.27 0.97 0.00 -0.84 0.00 0.00 39.64 39.67 1t22 n ILE 52 CO 0.00 0.00 0.00 -0.33 2.80 0.00 0.00 176.55 179.02 1t22 h GLU 53 N 0.00 0.00 -0.16 9.51 5.08 -1.42 -1.56 114.58 126.03 1t22 h GLU 53 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1t22 h GLU 53 Cb 0.94 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1t22 h GLU 53 CO 0.00 0.00 0.09 1.96 -1.00 0.00 0.00 179.01 180.06 1t22 h GLN 54 N 0.00 0.21 -6.68 2.33 4.20 -1.69 -3.43 115.11 110.05 1t22 h GLN 54 Ca -0.00 -0.01 -0.58 0.00 0.06 0.00 0.00 58.65 58.12 1t22 h GLN 54 Cb 0.24 -0.05 0.10 0.00 0.30 0.00 0.00 27.48 28.08 1t22 h GLN 54 CO 0.00 0.16 0.47 0.39 -0.67 0.00 0.00 178.83 179.18 1t22 n GLU 55 N -4.50 2.00 -2.04 1.46 -0.58 -0.59 -4.99 120.64 111.40 1t22 n GLU 55 Ca -0.01 0.70 -0.28 0.00 -0.42 0.00 0.00 57.16 57.16 1t22 n GLU 55 Cb 0.09 -2.27 0.12 0.00 -0.57 0.00 0.00 31.44 28.81 1t22 n GLU 55 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1t22 s GLY 56 N -0.24 1.69 0.45 0.62 0.00 -1.26 -4.86 107.32 103.72 1t22 s GLY 56 Ca 0.58 -0.98 0.22 0.00 0.00 0.00 0.00 44.72 44.55 1t22 s GLY 56 CO 0.60 -0.41 1.83 -2.55 0.00 0.00 0.00 173.10 172.57 1t22 h PRO 57 N -1.09 0.27 -0.19 2.90 0.11 -1.97 -0.03 132.00 131.99 1t22 h PRO 57 Ca -0.44 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 1t22 h PRO 57 Cb 1.29 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1t22 h PRO 57 CO 0.54 0.18 -0.32 1.05 -0.21 0.00 0.00 178.00 179.24 1t22 h GLU 58 N 0.28 0.40 0.11 1.05 9.09 -1.98 0.20 114.58 123.73 1t22 h GLU 58 Ca 0.50 -0.17 -0.01 0.00 0.05 0.00 0.00 59.36 59.74 1t22 h GLU 58 Cb 1.47 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 28.56 1t22 h GLU 58 CO -0.16 0.68 -0.06 -0.92 0.05 0.00 0.00 179.01 178.60 1t22 h TYR 59 N 0.34 -0.14 -0.43 2.06 3.20 -1.36 -0.99 116.97 119.65 1t22 h TYR 59 Ca 0.04 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 1t22 h TYR 59 Cb 0.74 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.03 1t22 h TYR 59 CO 0.02 0.24 0.10 -1.49 -1.64 0.00 0.00 178.16 175.39 1t22 h TRP 60 N -0.56 0.65 -0.52 -3.82 4.06 -1.29 -0.32 115.95 114.16 1t22 h TRP 60 Ca -0.02 -0.05 -0.12 0.00 2.06 0.00 0.00 58.89 60.77 1t22 h TRP 60 Cb 0.45 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 28.39 1t22 h TRP 60 CO 0.05 0.56 -0.15 -0.44 -3.56 0.00 0.00 178.44 174.91 1t22 h ASP 61 N 0.63 1.02 -0.20 -3.49 3.32 -0.57 -1.88 116.42 115.24 1t22 h ASP 61 Ca 0.14 -0.36 -0.08 0.00 0.02 0.00 0.00 57.03 56.76 1t22 h ASP 61 Cb 0.24 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 1t22 h ASP 61 CO -0.00 1.15 -0.19 1.23 -1.72 0.00 0.00 179.24 179.71 1t22 h GLY 62 N 0.92 0.53 1.46 2.75 0.00 -0.66 -1.83 103.07 106.24 1t22 h GLY 62 Ca 0.13 -0.54 -0.06 0.00 0.00 0.00 0.00 47.33 46.86 1t22 h GLY 62 CO 0.06 0.49 0.00 0.83 0.00 0.00 0.00 176.54 177.91 1t22 h GLU 63 N 0.17 0.67 -0.14 4.80 4.39 -1.10 -1.44 114.58 121.92 1t22 h GLU 63 Ca 0.03 -0.16 -0.02 0.00 0.34 0.00 0.00 59.36 59.55 1t22 h GLU 63 Cb 0.73 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 1t22 h GLU 63 CO 0.05 0.68 0.00 1.15 -1.16 0.00 0.00 179.01 179.74 1t22 h THR 64 N 0.63 1.25 -0.63 1.13 2.02 -1.28 -0.22 112.91 115.80 1t22 h THR 64 Ca 0.13 -0.80 0.04 0.00 0.77 0.00 0.00 66.41 66.55 1t22 h THR 64 Cb 0.39 1.51 -0.05 0.00 -1.74 0.00 0.00 68.15 68.26 1t22 h THR 64 CO 0.01 0.24 0.37 -0.09 0.37 0.00 0.00 175.52 176.42 1t22 h ARG 65 N -0.01 0.69 -0.37 6.66 2.43 -1.02 -1.24 114.38 121.52 1t22 h ARG 65 Ca 0.04 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 1t22 h ARG 65 Cb 0.36 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1t22 h ARG 65 CO 0.01 0.45 -0.34 0.87 -1.51 0.00 0.00 179.97 179.45 1t22 h LYS 66 N 0.71 0.88 -0.06 0.20 1.57 -1.19 -1.74 116.57 116.93 1t22 h LYS 66 Ca 0.27 -0.46 -0.08 0.00 -1.87 0.00 0.00 60.65 58.51 1t22 h LYS 66 Cb 0.09 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1t22 h LYS 66 CO -0.14 1.10 -0.32 -0.24 -0.57 0.00 0.00 179.45 179.28 1t22 h VAL 67 N 0.68 1.26 -0.25 0.50 3.04 -0.76 -0.12 116.25 120.60 1t22 h VAL 67 Ca 0.06 -1.21 -0.18 0.00 -1.01 0.00 0.00 66.70 64.36 1t22 h VAL 67 Cb 0.93 1.57 -0.00 0.00 -2.01 0.00 0.00 31.29 31.78 1t22 h VAL 67 CO 0.09 0.36 -0.55 0.11 -1.01 0.00 0.00 177.57 176.56 1t22 h LYS 68 N 0.11 0.75 -0.71 4.17 1.57 -1.10 -1.73 116.57 119.63 1t22 h LYS 68 Ca 0.01 -0.47 -0.02 0.00 -1.87 0.00 0.00 60.65 58.30 1t22 h LYS 68 Cb 0.63 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.96 1t22 h LYS 68 CO 0.05 1.10 0.38 0.00 -0.57 0.00 0.00 179.45 180.40 1t22 h ALA 69 N 0.80 1.33 0.06 3.86 0.00 -0.64 -1.82 119.26 122.84 1t22 h ALA 69 Ca 0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1t22 h ALA 69 Cb 1.13 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1t22 h ALA 69 CO 0.12 0.54 -0.03 0.45 0.00 0.00 0.00 179.25 180.33 1t22 h HIS 70 N 1.00 -0.07 -0.96 0.00 3.86 -0.71 -1.70 115.15 116.55 1t22 h HIS 70 Ca 0.25 -0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.59 1t22 h HIS 70 Cb 0.04 0.02 -0.09 0.00 1.06 0.00 0.00 27.41 28.45 1t22 h HIS 70 CO 0.01 0.12 0.59 0.66 0.86 0.00 0.00 177.93 180.16 1t22 h SER 71 N -0.25 0.83 -0.34 2.45 4.64 -0.91 -0.58 113.55 119.39 1t22 h SER 71 Ca -0.01 0.06 -0.12 0.00 -0.47 0.00 0.00 61.79 61.26 1t22 h SER 71 Cb 0.22 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1t22 h SER 71 CO 0.01 0.42 -0.21 1.56 -0.87 0.00 0.00 176.83 177.75 1t22 h GLN 72 N 0.90 0.82 -0.41 4.77 1.08 -1.09 -0.70 115.11 120.48 1t22 h GLN 72 Ca 0.49 -0.33 -0.00 0.00 -1.45 0.00 0.00 58.65 57.36 1t22 h GLN 72 Cb 0.55 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.92 1t22 h GLN 72 CO -0.29 0.95 0.25 1.15 -0.95 0.00 0.00 178.83 179.94 1t22 h THR 73 N 0.72 1.13 -0.63 -0.54 2.02 -0.25 -0.84 112.91 114.52 1t22 h THR 73 Ca 0.10 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 1t22 h THR 73 Cb 0.73 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1t22 h THR 73 CO 0.06 0.13 0.29 0.45 0.37 0.00 0.00 175.52 176.82 1t22 h HIS 74 N 0.54 0.88 0.03 3.16 3.86 -0.86 0.13 115.15 122.90 1t22 h HIS 74 Ca 0.15 -0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.34 1t22 h HIS 74 Cb -0.00 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.17 1t22 h HIS 74 CO -0.04 0.66 -0.10 -0.09 0.86 0.00 0.00 177.93 179.22 1t22 h ARG 75 N 0.88 -0.18 -0.22 2.45 1.12 -0.27 -0.08 114.38 118.09 1t22 h ARG 75 Ca 0.22 0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 59.10 1t22 h ARG 75 Cb 0.11 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.10 1t22 h ARG 75 CO -0.03 -0.12 0.12 0.28 -3.11 0.00 0.00 179.97 177.11 1t22 h VAL 76 N -0.19 1.10 -0.84 0.20 2.07 -0.67 -2.87 116.25 115.06 1t22 h VAL 76 Ca 0.03 -0.27 0.13 0.00 0.82 0.00 0.00 66.70 67.41 1t22 h VAL 76 Cb 0.22 0.89 -0.09 0.00 -1.52 0.00 0.00 31.29 30.79 1t22 h VAL 76 CO -0.08 0.10 0.44 0.44 0.02 0.00 0.00 177.57 178.49 1t22 h ASP 77 N 0.25 0.57 -0.92 0.57 3.32 -0.28 0.28 116.42 120.20 1t22 h ASP 77 Ca 0.08 0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.25 1t22 h ASP 77 Cb 0.05 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 39.52 1t22 h ASP 77 CO -0.01 0.27 0.59 -0.07 -1.72 0.00 0.00 179.24 178.30 1t22 h LEU 78 N 0.67 0.97 0.29 1.55 3.38 -0.80 0.47 115.31 121.83 1t22 h LEU 78 Ca 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.40 1t22 h LEU 78 Cb 0.55 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1t22 h LEU 78 CO -0.32 0.64 -0.14 1.23 0.09 0.00 0.00 178.44 179.94 1t22 h GLY 79 N 1.12 -0.40 0.44 0.83 0.00 -0.90 -0.77 103.07 103.38 1t22 h GLY 79 Ca 0.38 0.15 0.07 0.00 0.00 0.00 0.00 47.33 47.93 1t22 h GLY 79 CO -0.15 -0.15 0.07 -0.84 0.00 0.00 0.00 176.54 175.47 1t22 h THR 80 N -0.63 0.76 -0.48 4.70 2.02 -0.64 -1.65 112.91 116.98 1t22 h THR 80 Ca -0.04 -0.07 -0.05 0.00 0.77 0.00 0.00 66.41 67.02 1t22 h THR 80 Cb 0.45 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1t22 h THR 80 CO 0.06 0.03 0.09 -0.07 0.37 0.00 0.00 175.52 176.01 1t22 h LEU 81 N 0.19 0.70 -1.38 2.58 3.38 -0.05 0.26 115.31 120.99 1t22 h LEU 81 Ca 0.21 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1t22 h LEU 81 Cb 0.27 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1t22 h LEU 81 CO -0.29 0.71 0.42 -0.09 0.09 0.00 0.00 178.44 179.29 1t22 h ARG 82 N 0.72 0.83 -0.01 1.13 2.43 -0.25 -0.75 114.38 118.47 1t22 h ARG 82 Ca 0.16 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1t22 h ARG 82 Cb 0.32 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1t22 h ARG 82 CO 0.00 0.55 -0.05 0.78 -1.51 0.00 0.00 179.97 179.74 1t22 h GLY 83 N 0.85 0.06 0.22 2.80 0.00 -0.43 0.06 103.07 106.64 1t22 h GLY 83 Ca 0.23 -0.08 0.15 0.00 0.00 0.00 0.00 47.33 47.63 1t22 h GLY 83 CO -0.05 0.07 0.45 -0.97 0.00 0.00 0.00 176.54 176.04 1t22 h TYR 84 N -0.56 0.79 -0.21 5.60 0.05 -0.54 0.15 116.97 122.25 1t22 h TYR 84 Ca -0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1t22 h TYR 84 Cb 0.69 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 38.21 1t22 h TYR 84 CO 0.15 0.19 0.00 0.66 -1.05 0.00 0.00 178.16 178.10 1t22 n TYR 85 N -4.86 0.28 -3.87 4.88 4.01 -0.33 -4.93 117.16 112.34 1t22 n TYR 85 Ca 0.17 -0.14 -0.35 0.00 -0.16 0.00 0.00 57.90 57.42 1t22 n TYR 85 Cb 0.44 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.49 1t22 n TYR 85 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1t22 n ASN 86 N 0.29 -4.03 -4.70 7.72 5.15 0.52 -4.94 115.26 115.26 1t22 n ASN 86 Ca 0.14 -1.12 -0.26 0.00 -0.60 0.00 0.00 54.58 52.75 1t22 n ASN 86 Cb 0.29 -2.74 -0.07 0.00 -0.53 0.00 0.00 39.78 36.73 1t22 n ASN 86 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1t22 s GLN 87 N -6.57 2.55 0.70 1.20 -0.21 -0.05 -5.04 119.66 112.24 1t22 s GLN 87 Ca 0.40 -1.07 -0.14 0.00 0.02 0.00 0.00 55.36 54.57 1t22 s GLN 87 Cb -0.17 -2.42 0.02 0.00 1.00 0.00 0.00 33.01 31.44 1t22 s GLN 87 CO 0.91 0.45 1.13 0.45 -2.12 0.00 0.00 175.29 176.10 1t22 s SER 88 N -3.11 4.74 0.00 5.90 0.15 -1.26 -4.80 113.70 115.33 1t22 s SER 88 Ca 0.29 2.04 0.28 0.00 0.70 0.00 0.00 55.95 59.27 1t22 s SER 88 Cb -0.09 -2.55 1.14 0.00 -1.71 0.00 0.00 66.02 62.80 1t22 s SER 88 CO 0.20 -1.88 1.80 -0.62 1.20 0.00 0.00 173.24 173.94 1t22 n GLU 89 N -2.73 1.02 0.09 5.44 1.02 -1.26 -3.90 120.64 120.32 1t22 n GLU 89 Ca 0.11 -0.47 -0.07 0.00 -0.02 0.00 0.00 57.16 56.71 1t22 n GLU 89 Cb 0.52 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.47 1t22 n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1t22 h ALA 90 N 3.87 0.61 -2.48 0.62 0.00 -1.96 -3.43 119.26 116.50 1t22 h ALA 90 Ca 0.00 -0.70 -0.53 0.00 0.00 0.00 0.00 54.91 53.68 1t22 h ALA 90 Cb 0.39 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1t22 h ALA 90 CO 0.00 0.91 -0.09 0.20 0.00 0.00 0.00 179.25 180.27 1t22 s GLY 91 N -4.51 2.17 -0.01 0.00 0.00 -1.25 -4.80 107.32 98.93 1t22 s GLY 91 Ca -0.02 -0.31 -0.23 0.00 0.00 0.00 0.00 44.72 44.16 1t22 s GLY 91 CO 0.81 -0.17 0.69 -0.45 0.00 0.00 0.00 173.10 173.98 1t22 s SER 92 N -2.59 7.06 0.31 1.64 0.15 -1.26 -4.74 113.70 114.27 1t22 s SER 92 Ca 0.47 1.27 0.07 0.00 0.70 0.00 0.00 55.95 58.46 1t22 s SER 92 Cb -0.11 -2.42 -0.06 0.00 -1.71 0.00 0.00 66.02 61.72 1t22 s SER 92 CO 0.24 0.00 -0.04 -1.00 1.20 0.00 0.00 173.24 173.64 1t22 s HIS 93 N 0.18 2.06 -0.03 3.44 3.76 -1.26 -4.91 115.29 118.53 1t22 s HIS 93 Ca 0.36 -0.71 0.05 0.00 -0.15 0.00 0.00 55.06 54.60 1t22 s HIS 93 Cb -0.19 -1.24 -0.01 0.00 1.11 0.00 0.00 32.58 32.26 1t22 s HIS 93 CO 0.19 0.29 -0.17 0.99 -0.85 0.00 0.00 174.74 175.19 1t22 s THR 94 N -2.98 1.42 -0.03 1.30 2.01 -1.26 -0.26 115.64 115.84 1t22 s THR 94 Ca 0.31 -0.73 0.06 0.00 0.31 0.00 0.00 61.69 61.64 1t22 s THR 94 Cb 0.05 -1.20 -0.01 0.00 0.01 0.00 0.00 72.50 71.34 1t22 s THR 94 CO 0.14 0.41 -0.20 0.68 -0.69 0.00 0.00 174.62 174.95 1t22 s VAL 95 N -0.14 1.63 0.03 3.82 -7.23 -0.31 -0.16 120.40 118.04 1t22 s VAL 95 Ca 0.00 -0.87 0.03 0.00 -1.81 0.00 0.00 61.98 59.34 1t22 s VAL 95 Cb -0.10 -1.36 -0.02 0.00 0.56 0.00 0.00 36.38 35.46 1t22 s VAL 95 CO 0.01 0.46 -0.11 -1.10 -0.31 0.00 0.00 175.10 174.06 1t22 s GLN 96 N -0.35 0.71 0.01 4.82 -0.21 -0.24 -1.74 119.66 122.66 1t22 s GLN 96 Ca 0.04 -0.67 0.01 0.00 0.02 0.00 0.00 55.36 54.77 1t22 s GLN 96 Cb -0.09 -0.64 -0.01 0.00 1.00 0.00 0.00 33.01 33.27 1t22 s GLN 96 CO 0.00 0.15 -0.03 0.50 -2.12 0.00 0.00 175.29 173.79 1t22 s ARG 97 N -1.13 0.27 -0.10 2.91 3.52 -0.56 -0.59 118.95 123.27 1t22 s ARG 97 Ca -0.02 -0.30 -0.08 0.00 -0.13 0.00 0.00 55.73 55.20 1t22 s ARG 97 Cb -0.08 -0.15 0.04 0.00 -1.56 0.00 0.00 34.95 33.20 1t22 s ARG 97 CO 0.01 0.03 0.26 1.41 -0.81 0.00 0.00 175.30 176.20 1t22 s MET 98 N -0.58 0.27 0.10 5.12 1.75 -0.19 -0.65 119.30 125.12 1t22 s MET 98 Ca -0.04 0.45 -0.14 0.00 -1.25 0.00 0.00 55.69 54.71 1t22 s MET 98 Cb -0.04 0.04 0.02 0.00 2.84 0.00 0.00 34.83 37.69 1t22 s MET 98 CO -0.00 -0.09 0.33 1.52 -0.65 0.00 0.00 175.02 176.12 1t22 s TYR 99 N 0.64 -0.09 -1.15 4.11 -0.85 -0.95 -0.18 117.35 118.88 1t22 s TYR 99 Ca -0.04 -0.22 0.00 0.00 -0.52 0.00 0.00 57.07 56.29 1t22 s TYR 99 Cb -0.05 0.14 0.00 0.00 0.38 0.00 0.00 41.96 42.43 1t22 s TYR 99 CO -0.04 -0.62 0.00 0.41 -1.52 0.00 0.00 175.55 173.78 1t22 n GLY 100 N -0.03 -1.49 3.17 5.49 0.00 -0.88 -1.47 105.19 109.98 1t22 n GLY 100 Ca -0.16 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.67 1t22 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t22 s ASP 102 N -2.58 2.45 0.11 0.00 1.01 0.17 -1.78 116.67 116.05 1t22 s ASP 102 Ca 0.06 -0.53 0.06 0.00 0.71 0.00 0.00 52.55 52.85 1t22 s ASP 102 Cb -0.01 -0.20 -0.04 0.00 1.01 0.00 0.00 42.92 43.69 1t22 s ASP 102 CO -0.01 0.15 -0.14 0.68 0.21 0.00 0.00 175.17 176.05 1t22 s VAL 103 N -0.83 1.30 0.00 -1.27 -7.23 0.10 -0.67 120.40 111.80 1t22 s VAL 103 Ca 0.07 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 1t22 s VAL 103 Cb -0.09 -1.44 0.00 0.00 0.56 0.00 0.00 36.38 35.41 1t22 s VAL 103 CO 0.02 -0.36 0.00 0.61 -0.31 0.00 0.00 175.10 175.06 1t22 n GLY 104 N 0.71 -0.07 0.23 2.32 0.00 -1.00 -0.75 105.19 106.62 1t22 n GLY 104 Ca -0.17 -1.76 0.06 0.00 0.00 0.00 0.00 46.02 44.15 1t22 n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1t22 h SER 105 N 0.00 0.00 -0.16 1.61 0.02 -1.92 -1.06 113.55 112.04 1t22 h SER 105 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1t22 h SER 105 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1t22 h SER 105 CO 0.00 0.19 0.00 -0.90 -1.14 0.00 0.00 176.83 174.98 1t22 n ASP 106 N -4.21 1.07 -2.25 3.07 5.68 -1.26 -4.89 116.55 113.76 1t22 n ASP 106 Ca -0.02 -1.81 -0.21 0.00 -0.50 0.00 0.00 54.79 52.25 1t22 n ASP 106 Cb 0.26 -0.10 -0.02 0.00 -1.14 0.00 0.00 41.12 40.11 1t22 n ASP 106 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1t22 n TRP 107 N 0.00 -0.84 -3.91 2.11 7.02 -0.40 -4.99 117.44 116.43 1t22 n TRP 107 Ca 0.11 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.29 1t22 n TRP 107 Cb 0.20 -3.88 -0.04 0.00 -2.42 0.00 0.00 31.31 25.17 1t22 n TRP 107 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1t22 s ARG 108 N -4.85 3.45 0.13 -0.99 1.81 -1.26 -4.82 118.95 112.42 1t22 s ARG 108 Ca 0.00 -0.46 -0.35 0.00 -1.72 0.00 0.00 55.73 53.20 1t22 s ARG 108 Cb 0.00 -3.01 -0.16 0.00 -0.45 0.00 0.00 34.95 31.33 1t22 s ARG 108 CO 0.00 0.58 1.35 0.34 -0.68 0.00 0.00 175.30 176.88 1t22 n PHE 109 N 0.04 1.64 -0.01 -0.53 7.35 -1.26 -2.38 117.46 122.30 1t22 n PHE 109 Ca -0.05 0.57 -0.03 0.00 -0.76 0.00 0.00 57.45 57.18 1t22 n PHE 109 Cb 0.52 -2.37 -0.01 0.00 0.35 0.00 0.00 39.48 37.97 1t22 n PHE 109 CO 0.00 0.00 0.00 -0.11 -0.76 0.00 0.00 176.76 175.89 1t22 n LEU 110 N 2.55 1.02 -3.56 -2.13 7.94 0.15 -4.83 117.00 118.14 1t22 n LEU 110 Ca 0.17 0.02 -0.08 0.00 -1.11 0.00 0.00 56.01 55.01 1t22 n LEU 110 Cb 0.23 -0.09 -0.04 0.00 0.53 0.00 0.00 43.42 44.05 1t22 n LEU 110 CO 0.62 0.20 0.81 0.00 -1.11 0.00 0.00 177.39 177.91 1t22 s ARG 111 N -2.05 0.58 0.19 1.96 1.70 -1.15 -4.98 118.95 115.20 1t22 s ARG 111 Ca -0.04 -0.04 0.05 0.00 -0.47 0.00 0.00 55.73 55.23 1t22 s ARG 111 Cb 0.01 0.27 -0.05 0.00 -0.57 0.00 0.00 34.95 34.62 1t22 s ARG 111 CO 0.05 -0.22 -0.08 0.20 -1.08 0.00 0.00 175.30 174.18 1t22 s GLY 112 N -1.68 1.33 0.13 3.88 0.00 -1.26 -0.66 107.32 109.06 1t22 s GLY 112 Ca 0.03 -1.63 -0.13 0.00 0.00 0.00 0.00 44.72 42.99 1t22 s GLY 112 CO -0.03 -1.66 0.33 -2.52 0.00 0.00 0.00 173.10 169.22 1t22 s TYR 113 N -3.26 0.03 -0.30 1.90 -0.85 -0.26 -4.82 117.35 109.79 1t22 s TYR 113 Ca 0.22 -0.40 -0.01 0.00 -0.52 0.00 0.00 57.07 56.36 1t22 s TYR 113 Cb 0.03 0.12 0.19 0.00 0.38 0.00 0.00 41.96 42.68 1t22 s TYR 113 CO 0.05 -0.69 0.71 -1.58 -1.52 0.00 0.00 175.55 172.52 1t22 s HIS 114 N -3.86 -1.43 0.18 -3.49 2.46 -1.25 -2.08 115.29 105.81 1t22 s HIS 114 Ca 0.07 1.15 0.09 0.00 0.47 0.00 0.00 55.06 56.85 1t22 s HIS 114 Cb 0.03 0.37 -0.04 0.00 -0.13 0.00 0.00 32.58 32.80 1t22 s HIS 114 CO -0.08 -0.81 -0.20 -0.65 -2.47 0.00 0.00 174.74 170.53 1t22 s GLN 115 N 2.87 1.36 0.02 2.88 -0.21 0.75 -0.78 119.66 126.56 1t22 s GLN 115 Ca 0.15 -1.46 0.01 0.00 0.02 0.00 0.00 55.36 54.08 1t22 s GLN 115 Cb -0.11 -1.48 -0.01 0.00 1.00 0.00 0.00 33.01 32.40 1t22 s GLN 115 CO -0.22 0.31 -0.04 -0.47 -2.12 0.00 0.00 175.29 172.74 1t22 s TYR 116 N -1.99 0.39 0.01 0.91 6.14 0.19 -1.02 117.35 121.98 1t22 s TYR 116 Ca 0.18 -0.32 -0.03 0.00 0.64 0.00 0.00 57.07 57.54 1t22 s TYR 116 Cb -0.06 -0.25 -0.01 0.00 0.42 0.00 0.00 41.96 42.06 1t22 s TYR 116 CO 0.08 -0.08 0.04 0.00 0.64 0.00 0.00 175.55 176.23 1t22 s ALA 117 N -0.84 -0.06 -0.09 3.97 0.00 0.24 -0.73 121.76 124.24 1t22 s ALA 117 Ca -0.07 -0.39 0.03 0.00 0.00 0.00 0.00 51.96 51.54 1t22 s ALA 117 Cb -0.06 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1t22 s ALA 117 CO -0.00 -0.17 -0.20 -0.47 0.00 0.00 0.00 175.76 174.92 1t22 s TYR 118 N -1.38 2.16 -1.66 0.00 5.04 -0.39 -1.07 117.35 120.05 1t22 s TYR 118 Ca -0.15 -0.87 -0.16 0.00 -2.44 0.00 0.00 57.07 53.45 1t22 s TYR 118 Cb -0.09 -1.48 0.13 0.00 0.35 0.00 0.00 41.96 40.88 1t22 s TYR 118 CO 0.00 -0.37 0.76 -0.25 -1.34 0.00 0.00 175.55 174.35 1t22 n ASP 119 N 3.64 -3.07 -0.01 4.32 8.00 0.77 -1.74 116.55 128.46 1t22 n ASP 119 Ca -0.20 -0.99 -0.00 0.00 0.71 0.00 0.00 54.79 54.30 1t22 n ASP 119 Cb 0.52 -2.88 -0.00 0.00 -0.02 0.00 0.00 41.12 38.74 1t22 n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1t22 n GLY 120 N -1.50 0.45 3.29 0.44 0.00 -1.26 -5.02 105.19 101.58 1t22 n GLY 120 Ca 0.03 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 1t22 n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t22 s LYS 121 N -0.35 1.13 0.27 1.61 1.02 -0.71 -5.11 119.74 117.61 1t22 s LYS 121 Ca 0.00 -1.20 -0.30 0.00 0.02 0.00 0.00 55.97 54.49 1t22 s LYS 121 Cb 0.00 -1.32 -0.13 0.00 -0.52 0.00 0.00 37.83 35.86 1t22 s LYS 121 CO 0.00 0.30 1.33 -0.25 -0.92 0.00 0.00 175.35 175.80 1t22 n ASP 122 N 0.91 2.58 0.01 2.83 8.00 -1.26 -1.26 116.55 128.36 1t22 n ASP 122 Ca -0.18 1.17 -0.01 0.00 0.71 0.00 0.00 54.79 56.47 1t22 n ASP 122 Cb 0.54 -1.43 -0.00 0.00 -0.02 0.00 0.00 41.12 40.21 1t22 n ASP 122 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1t22 n TYR 123 N 1.26 0.00 -3.83 1.24 9.36 0.09 -4.67 117.16 120.60 1t22 n TYR 123 Ca 0.09 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.19 1t22 n TYR 123 Cb 0.33 -0.06 -0.10 0.00 -0.63 0.00 0.00 39.34 38.88 1t22 n TYR 123 CO 0.00 0.00 0.00 -1.50 0.22 0.00 0.00 176.86 175.58 1t22 s ILE 124 N -1.59 0.07 -0.04 2.97 2.07 -1.14 -1.33 121.20 122.22 1t22 s ILE 124 Ca -0.03 -0.59 -0.12 0.00 -1.41 0.00 0.00 60.65 58.49 1t22 s ILE 124 Cb 0.00 -0.49 0.02 0.00 0.13 0.00 0.00 42.46 42.13 1t22 s ILE 124 CO 0.05 -0.33 0.27 0.00 -1.91 0.00 0.00 174.94 173.03 1t22 s ALA 125 N -1.31 -0.68 0.12 1.50 0.00 -0.52 -0.64 121.76 120.24 1t22 s ALA 125 Ca -0.14 0.37 -0.30 0.00 0.00 0.00 0.00 51.96 51.89 1t22 s ALA 125 Cb -0.07 -0.07 -0.06 0.00 0.00 0.00 0.00 23.12 22.92 1t22 s ALA 125 CO 0.02 -0.22 1.01 -1.17 0.00 0.00 0.00 175.76 175.41 1t22 s LEU 126 N -0.94 4.49 0.71 0.00 2.96 0.04 -0.45 118.68 125.50 1t22 s LEU 126 Ca -0.10 1.88 -0.13 0.00 -0.22 0.00 0.00 54.13 55.56 1t22 s LEU 126 Cb -0.05 -3.59 0.03 0.00 0.50 0.00 0.00 46.19 43.08 1t22 s LEU 126 CO 0.03 -0.13 1.10 -0.54 -1.32 0.00 0.00 176.35 175.49 1t22 s LYS 127 N -0.02 2.54 0.58 1.98 -0.14 0.19 -4.63 119.74 120.24 1t22 s LYS 127 Ca 0.48 1.27 0.27 0.00 -1.36 0.00 0.00 55.97 56.64 1t22 s LYS 127 Cb -0.25 -1.93 1.69 0.00 -1.68 0.00 0.00 37.83 35.67 1t22 s LYS 127 CO 0.31 -1.44 2.20 1.49 -0.76 0.00 0.00 175.35 177.15 1t22 h GLU 128 N -0.54 0.00 0.00 1.68 4.81 -1.88 0.39 114.58 119.04 1t22 h GLU 128 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1t22 h GLU 128 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1t22 h GLU 128 CO 0.53 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.41 1t22 n ASP 129 N -3.95 0.00 -1.74 1.04 3.85 -1.26 -4.77 116.55 109.72 1t22 n ASP 129 Ca -0.02 0.15 -0.20 0.00 -0.71 0.00 0.00 54.79 54.02 1t22 n ASP 129 Cb 0.16 -0.36 -0.07 0.00 -1.35 0.00 0.00 41.12 39.50 1t22 n ASP 129 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 1t22 n LEU 130 N -1.36 -1.59 -0.00 -2.12 4.77 0.14 -4.78 117.00 112.05 1t22 n LEU 130 Ca 0.09 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 1t22 n LEU 130 Cb 0.21 -2.82 -0.00 0.00 -2.33 0.00 0.00 43.42 38.48 1t22 n LEU 130 CO 0.18 -0.85 -0.39 0.54 -1.33 0.00 0.00 177.39 175.54 1t22 n ARG 131 N -2.54 1.53 -4.26 3.23 1.74 -1.26 -4.69 116.66 110.40 1t22 n ARG 131 Ca -0.21 -0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.72 1t22 n ARG 131 Cb 0.67 -0.91 -0.10 0.00 -1.02 0.00 0.00 32.46 31.10 1t22 n ARG 131 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1t22 s SER 132 N -1.84 1.23 0.15 0.55 1.04 -1.26 -4.98 113.70 108.59 1t22 s SER 132 Ca -0.00 -1.22 0.08 0.00 0.48 0.00 0.00 55.95 55.29 1t22 s SER 132 Cb 0.00 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 1t22 s SER 132 CO 0.02 -0.60 -0.07 0.26 0.98 0.00 0.00 173.24 173.84 1t22 s TRP 133 N -3.67 2.74 -0.32 5.02 0.52 -1.26 0.58 118.94 122.55 1t22 s TRP 133 Ca 0.27 -0.17 0.01 0.00 0.02 0.00 0.00 56.10 56.23 1t22 s TRP 133 Cb 0.06 -1.37 0.07 0.00 -1.15 0.00 0.00 33.47 31.09 1t22 s TRP 133 CO 0.06 0.48 0.02 0.99 0.02 0.00 0.00 176.95 178.52 1t22 s THR 134 N -1.53 2.65 -0.24 2.01 2.01 0.41 -4.86 115.64 116.09 1t22 s THR 134 Ca 0.24 -1.79 -0.11 0.00 0.31 0.00 0.00 61.69 60.34 1t22 s THR 134 Cb -0.10 -2.68 -0.05 0.00 0.01 0.00 0.00 72.50 69.68 1t22 s THR 134 CO 0.16 -0.30 0.18 0.00 -0.69 0.00 0.00 174.62 173.97 1t22 s ALA 135 N 1.11 3.60 0.27 7.40 0.00 -1.26 -1.44 121.76 131.44 1t22 s ALA 135 Ca -0.00 -0.87 0.07 0.00 0.00 0.00 0.00 51.96 51.16 1t22 s ALA 135 Cb -0.20 -2.36 0.35 0.00 0.00 0.00 0.00 23.12 20.91 1t22 s ALA 135 CO -0.04 -0.22 1.62 0.00 0.00 0.00 0.00 175.76 177.11 1t22 h ALA 136 N 7.54 0.97 -2.66 0.00 0.00 -1.48 -3.46 119.26 120.18 1t22 h ALA 136 Ca -0.38 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 53.99 1t22 h ALA 136 Cb 1.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1t22 h ALA 136 CO 0.66 0.70 -0.01 -0.40 0.00 0.00 0.00 179.25 180.20 1t22 n ASP 137 N -3.89 -0.15 0.20 0.00 5.68 -1.26 -5.04 116.55 112.09 1t22 n ASP 137 Ca -0.02 -1.20 0.07 0.00 -0.50 0.00 0.00 54.79 53.14 1t22 n ASP 137 Cb 0.58 0.28 0.38 0.00 -1.14 0.00 0.00 41.12 41.23 1t22 n ASP 137 CO 0.00 0.00 0.00 0.24 -1.33 0.00 0.00 177.20 176.11 1t22 h MET 138 N 0.00 0.00 -0.07 0.11 2.86 -1.98 -0.34 114.93 115.51 1t22 h MET 138 Ca -0.03 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1t22 h MET 138 Cb 0.13 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 1t22 h MET 138 CO 0.04 0.32 -0.03 0.00 1.06 0.00 0.00 176.91 178.30 1t22 h ALA 139 N 1.68 0.09 -0.19 6.32 0.00 -1.97 -2.46 119.26 122.73 1t22 h ALA 139 Ca -0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1t22 h ALA 139 Cb 0.83 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1t22 h ALA 139 CO 0.04 -0.16 0.12 0.00 0.00 0.00 0.00 179.25 179.24 1t22 h ALA 140 N 0.63 1.85 -0.26 0.00 0.00 -1.79 -2.03 119.26 117.66 1t22 h ALA 140 Ca 0.01 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1t22 h ALA 140 Cb 0.46 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1t22 h ALA 140 CO 0.01 0.14 0.06 1.96 0.00 0.00 0.00 179.25 181.42 1t22 h GLN 141 N 0.26 0.16 -0.33 0.00 1.08 -0.70 0.53 115.11 116.10 1t22 h GLN 141 Ca 0.07 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.20 1t22 h GLN 141 Cb -0.01 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.36 1t22 h GLN 141 CO -0.01 0.10 -0.06 0.00 -0.95 0.00 0.00 178.83 177.91 1t22 h THR 142 N 0.16 1.22 -0.50 -0.54 1.03 -0.93 -0.27 112.91 113.08 1t22 h THR 142 Ca 0.12 -0.91 -0.05 0.00 -0.01 0.00 0.00 66.41 65.55 1t22 h THR 142 Cb 0.11 1.03 -0.02 0.00 -1.07 0.00 0.00 68.15 68.20 1t22 h THR 142 CO -0.14 0.31 0.11 0.74 -0.01 0.00 0.00 175.52 176.52 1t22 h THR 143 N 0.50 1.24 -0.67 0.00 2.02 -0.96 -1.23 112.91 113.81 1t22 h THR 143 Ca 0.10 -0.88 0.04 0.00 0.77 0.00 0.00 66.41 66.43 1t22 h THR 143 Cb 0.41 0.85 -0.05 0.00 -1.74 0.00 0.00 68.15 67.63 1t22 h THR 143 CO 0.02 0.32 0.41 0.50 0.37 0.00 0.00 175.52 177.13 1t22 h LYS 144 N 0.70 0.76 -0.57 6.66 3.64 0.90 0.39 116.57 129.05 1t22 h LYS 144 Ca 0.16 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.40 1t22 h LYS 144 Cb 0.36 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1t22 h LYS 144 CO 0.00 0.50 0.03 0.45 -2.27 0.00 0.00 179.45 178.17 1t22 h HIS 145 N 0.79 1.08 -0.68 1.91 3.86 -0.75 -1.27 115.15 120.08 1t22 h HIS 145 Ca 0.28 -0.18 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 1t22 h HIS 145 Cb 0.06 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.21 1t22 h HIS 145 CO -0.05 0.96 0.35 -0.22 0.86 0.00 0.00 177.93 179.83 1t22 h LYS 146 N 0.89 0.96 0.00 2.45 3.64 -0.69 -2.24 116.57 121.58 1t22 h LYS 146 Ca 0.17 -0.13 -0.09 0.00 -1.27 0.00 0.00 60.65 59.33 1t22 h LYS 146 Cb 0.51 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1t22 h LYS 146 CO 0.02 0.74 -0.41 -1.49 -2.27 0.00 0.00 179.45 176.05 1t22 h TRP 147 N 0.94 0.00 -0.16 1.91 4.06 -0.70 -2.45 115.95 119.55 1t22 h TRP 147 Ca 0.24 0.00 -0.20 0.00 2.06 0.00 0.00 58.89 60.99 1t22 h TRP 147 Cb 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.24 1t22 h TRP 147 CO -0.00 0.41 -0.71 0.93 -3.56 0.00 0.00 178.44 175.51 1t22 h GLU 148 N 0.00 0.68 -0.30 0.49 5.08 -0.96 -0.75 114.58 118.83 1t22 h GLU 148 Ca -0.00 -0.52 -0.11 0.00 -1.00 0.00 0.00 59.36 57.73 1t22 h GLU 148 Cb 0.99 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1t22 h GLU 148 CO 0.05 1.14 -0.26 0.00 -1.00 0.00 0.00 179.01 178.95 1t22 h ALA 149 N 0.72 0.99 -0.01 3.43 0.00 -1.28 -2.74 119.26 120.38 1t22 h ALA 149 Ca -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1t22 h ALA 149 Cb 1.31 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1t22 h ALA 149 CO 0.14 0.59 -0.09 0.00 0.00 0.00 0.00 179.25 179.90 1t22 n ALA 150 N -2.49 2.76 -3.74 0.00 0.00 -0.94 -4.95 120.51 111.15 1t22 n ALA 150 Ca -0.00 -0.37 -0.27 0.00 0.00 0.00 0.00 53.44 52.80 1t22 n ALA 150 Cb 0.43 -1.24 0.06 0.00 0.00 0.00 0.00 19.45 18.70 1t22 n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1t22 n HIS 151 N -0.42 -2.64 -0.20 0.00 -0.00 -0.40 -4.89 115.22 106.67 1t22 n HIS 151 Ca 0.17 0.97 0.04 0.00 -0.00 0.00 0.00 57.72 58.90 1t22 n HIS 151 Cb 0.31 -4.57 0.31 0.00 -0.00 0.00 0.00 29.99 26.03 1t22 n HIS 151 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 1t22 h VAL 152 N -2.44 1.08 -0.58 1.59 2.07 -1.53 -2.67 116.25 113.76 1t22 h VAL 152 Ca -0.57 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 66.61 1t22 h VAL 152 Cb 1.37 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1t22 h VAL 152 CO 0.61 0.16 0.22 0.00 0.02 0.00 0.00 177.57 178.58 1t22 h ALA 153 N 1.58 0.76 -0.60 1.67 0.00 -1.90 -1.30 119.26 119.47 1t22 h ALA 153 Ca 0.31 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1t22 h ALA 153 Cb 0.13 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1t22 h ALA 153 CO -0.10 0.39 0.32 1.49 0.00 0.00 0.00 179.25 181.35 1t22 h GLU 154 N 0.81 0.59 -0.28 0.00 4.81 -1.75 0.11 114.58 118.87 1t22 h GLU 154 Ca 0.19 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 1t22 h GLU 154 Cb 0.22 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1t22 h GLU 154 CO -0.01 0.39 0.02 1.96 -0.73 0.00 0.00 179.01 180.64 1t22 h GLN 155 N 0.61 0.47 -0.65 1.92 1.08 -1.39 -2.76 115.11 114.40 1t22 h GLN 155 Ca 0.27 -0.14 -0.01 0.00 -1.45 0.00 0.00 58.65 57.31 1t22 h GLN 155 Cb 0.16 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.51 1t22 h GLN 155 CO -0.17 0.61 0.36 -0.07 -0.95 0.00 0.00 178.83 178.61 1t22 h LEU 156 N 0.27 0.81 -0.74 1.46 3.38 -0.90 -2.64 115.31 116.96 1t22 h LEU 156 Ca 0.08 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.01 1t22 h LEU 156 Cb 0.38 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 1t22 h LEU 156 CO 0.01 0.67 0.44 -0.09 0.09 0.00 0.00 178.44 179.56 1t22 h ARG 157 N 0.89 0.79 -0.78 1.13 2.43 -0.69 0.14 114.38 118.28 1t22 h ARG 157 Ca 0.23 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 1t22 h ARG 157 Cb 0.04 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.38 1t22 h ARG 157 CO -0.04 0.52 0.33 0.00 -1.51 0.00 0.00 179.97 179.27 1t22 h ALA 158 N 1.36 1.12 0.23 2.80 0.00 -1.18 -0.58 119.26 123.00 1t22 h ALA 158 Ca 0.32 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1t22 h ALA 158 Cb 0.16 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1t22 h ALA 158 CO -0.17 0.64 -0.11 -0.92 0.00 0.00 0.00 179.25 178.69 1t22 h TYR 159 N 1.12 -0.28 -0.95 0.00 3.20 -1.00 0.38 116.97 119.45 1t22 h TYR 159 Ca 0.26 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.21 1t22 h TYR 159 Cb 0.18 0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.47 1t22 h TYR 159 CO 0.02 0.04 0.61 -0.07 -1.64 0.00 0.00 178.16 177.12 1t22 h LEU 160 N -0.62 0.91 0.00 2.82 3.38 -0.59 0.12 115.31 121.33 1t22 h LEU 160 Ca -0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1t22 h LEU 160 Cb 0.45 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1t22 h LEU 160 CO 0.05 0.54 -1.15 -0.62 0.09 0.00 0.00 178.44 177.36 1t22 n GLU 161 N -4.53 0.50 0.00 1.13 1.02 -0.24 -3.92 120.64 114.60 1t22 n GLU 161 Ca 0.16 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1t22 n GLU 161 Cb 0.27 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 1t22 n GLU 161 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1t22 n GLY 162 N 1.26 0.14 0.38 0.62 0.00 0.13 -4.60 105.19 103.12 1t22 n GLY 162 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.24 1t22 n GLY 162 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1t22 h THR 163 N 0.00 0.47 0.27 2.61 2.02 -1.62 0.01 112.91 116.66 1t22 h THR 163 Ca 0.00 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 1t22 h THR 163 Cb 0.00 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.42 1t22 h THR 163 CO 0.00 0.08 -0.13 0.00 0.37 0.00 0.00 175.52 175.84 1t22 h VAL 165 N -0.45 1.26 -0.80 0.00 2.07 -1.52 -1.63 116.25 115.18 1t22 h VAL 165 Ca -0.04 -1.09 -0.05 0.00 0.82 0.00 0.00 66.70 66.35 1t22 h VAL 165 Cb 0.34 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1t22 h VAL 165 CO 0.06 0.39 0.32 -0.33 0.02 0.00 0.00 177.57 178.04 1t22 h GLU 166 N 0.87 1.19 0.00 1.57 5.08 -0.89 -1.74 114.58 120.67 1t22 h GLU 166 Ca 0.16 -0.21 -0.19 0.00 -1.00 0.00 0.00 59.36 58.12 1t22 h GLU 166 Cb 0.51 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1t22 h GLU 166 CO 0.02 0.96 -0.91 -1.49 -1.00 0.00 0.00 179.01 176.59 1t22 h TRP 167 N 1.16 0.00 -0.34 4.33 4.06 -1.13 -2.56 115.95 121.47 1t22 h TRP 167 Ca 0.27 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.22 1t22 h TRP 167 Cb 0.21 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.35 1t22 h TRP 167 CO 0.02 0.91 0.21 1.25 -3.56 0.00 0.00 178.44 177.27 1t22 h LEU 168 N 0.00 0.40 -1.03 -4.49 5.85 -1.03 0.12 115.31 115.13 1t22 h LEU 168 Ca -0.01 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.68 1t22 h LEU 168 Cb 1.66 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.54 1t22 h LEU 168 CO 0.12 0.32 0.66 0.03 -0.34 0.00 0.00 178.44 179.23 1t22 h ARG 169 N 0.44 1.30 -0.36 1.25 3.08 -1.27 -0.17 114.38 118.65 1t22 h ARG 169 Ca 0.12 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 1t22 h ARG 169 Cb -0.01 -0.29 -0.02 0.00 0.08 0.00 0.00 29.97 29.73 1t22 h ARG 169 CO -0.02 0.86 0.13 -0.09 -1.07 0.00 0.00 179.97 179.78 1t22 h ARG 170 N 1.33 0.55 0.01 0.04 2.43 -0.92 -2.04 114.38 115.78 1t22 h ARG 170 Ca 0.36 -0.11 -0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1t22 h ARG 170 Cb -0.14 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.32 1t22 h ARG 170 CO -0.08 0.54 -0.00 1.88 -1.51 0.00 0.00 179.97 180.80 1t22 h TYR 171 N 0.44 -0.01 -0.73 2.20 0.05 -0.29 0.34 116.97 118.97 1t22 h TYR 171 Ca 0.12 -0.00 0.17 0.00 0.05 0.00 0.00 58.73 59.06 1t22 h TYR 171 Cb 0.21 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.91 1t22 h TYR 171 CO 0.00 0.08 0.50 -0.07 -1.05 0.00 0.00 178.16 177.62 1t22 h LEU 172 N -0.09 0.27 0.08 3.88 3.38 -0.96 0.31 115.31 122.18 1t22 h LEU 172 Ca -0.00 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 1t22 h LEU 172 Cb 0.09 -0.04 0.02 0.00 0.09 0.00 0.00 40.66 40.82 1t22 h LEU 172 CO 0.00 0.14 -0.62 -0.08 0.09 0.00 0.00 178.44 177.96 1t22 h GLU 173 N 0.29 0.28 -0.09 1.13 4.81 -0.81 -2.02 114.58 118.18 1t22 h GLU 173 Ca 0.36 -0.41 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 1t22 h GLU 173 Cb 1.00 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 1t22 h GLU 173 CO -0.09 1.15 -0.36 -0.91 -0.73 0.00 0.00 179.01 178.07 1t22 h ASN 174 N -0.39 0.19 -0.55 1.04 2.35 0.05 -2.85 115.58 115.42 1t22 h ASN 174 Ca -0.10 -0.07 -0.21 0.00 -0.55 0.00 0.00 56.30 55.37 1t22 h ASN 174 Cb 1.43 -0.05 -0.13 0.00 0.05 0.00 0.00 38.32 39.62 1t22 h ASN 174 CO 0.12 0.55 0.16 0.61 -1.65 0.00 0.00 177.43 177.21 1t22 n GLY 175 N -0.34 4.35 0.32 2.83 0.00 1.00 -4.75 105.19 108.60 1t22 n GLY 175 Ca -0.01 -1.11 0.19 0.00 0.00 0.00 0.00 46.02 45.09 1t22 n GLY 175 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1t22 h LYS 176 N 1.58 0.26 -0.96 1.61 2.10 -1.11 0.71 116.57 120.75 1t22 h LYS 176 Ca 0.26 -0.02 0.23 0.00 -2.00 0.00 0.00 60.65 59.13 1t22 h LYS 176 Cb 2.00 -0.06 -0.07 0.00 -0.90 0.00 0.00 32.23 33.20 1t22 h LYS 176 CO 0.57 0.17 0.64 1.49 -2.00 0.00 0.00 179.45 180.32 1t22 h GLU 177 N 0.27 0.36 0.00 0.07 4.57 -1.87 -1.29 114.58 116.69 1t22 h GLU 177 Ca 0.66 -0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 58.70 1t22 h GLU 177 Cb 1.45 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.94 1t22 h GLU 177 CO -0.64 0.24 -1.42 0.25 -1.18 0.00 0.00 179.01 176.26 1t22 n THR 178 N -4.52 0.43 0.15 0.32 -2.24 -0.60 -4.50 114.28 103.32 1t22 n THR 178 Ca 0.21 -0.15 0.02 0.00 -2.27 0.00 0.00 64.05 61.86 1t22 n THR 178 Cb 0.79 -0.90 0.37 0.00 -2.10 0.00 0.00 70.33 68.49 1t22 n THR 178 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1t22 h LEU 179 N -0.05 0.13 -3.25 3.22 3.38 -0.93 -2.65 115.31 115.18 1t22 h LEU 179 Ca -0.17 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1t22 h LEU 179 Cb 1.24 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1t22 h LEU 179 CO -0.04 0.40 0.00 0.00 0.09 0.00 0.00 178.44 178.88 1t22 n GLN 180 N -4.19 3.85 -4.69 1.13 6.02 -0.49 -4.92 117.38 114.08 1t22 n GLN 180 Ca -0.01 -2.89 -0.32 0.00 -0.01 0.00 0.00 57.00 53.76 1t22 n GLN 180 Cb 0.34 -1.93 -0.12 0.00 1.02 0.00 0.00 30.24 29.54 1t22 n GLN 180 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1t22 s ARG 181 N -2.16 2.35 0.00 -1.09 3.52 -1.00 -5.02 118.95 115.55 1t22 s ARG 181 Ca 0.49 -0.81 0.02 0.00 -0.13 0.00 0.00 55.73 55.30 1t22 s ARG 181 Cb 0.34 -2.34 -0.04 0.00 -1.56 0.00 0.00 34.95 31.35 1t22 s ARG 181 CO 0.19 0.59 -0.01 0.95 -0.81 0.00 0.00 175.30 176.21 1t22 s THR 182 N -0.87 4.04 -0.30 4.11 -4.23 -1.26 -4.84 115.64 112.29 1t22 s THR 182 Ca 0.14 -0.64 -0.06 0.00 -1.18 0.00 0.00 61.69 59.95 1t22 s THR 182 Cb -0.11 -2.79 0.03 0.00 1.34 0.00 0.00 72.50 70.96 1t22 s THR 182 CO 0.04 0.38 0.06 -1.81 -0.54 0.00 0.00 174.62 172.75 1t22 s ASP 183 N -1.53 5.06 0.45 3.99 1.11 0.48 -4.95 116.67 121.27 1t22 s ASP 183 Ca 0.19 -0.92 -0.24 0.00 0.18 0.00 0.00 52.55 51.76 1t22 s ASP 183 Cb -0.11 -1.83 -0.08 0.00 1.07 0.00 0.00 42.92 41.97 1t22 s ASP 183 CO 0.10 -0.23 1.18 0.00 1.18 0.00 0.00 175.17 177.39 1t22 s ALA 184 N 1.42 3.03 0.37 5.23 0.00 -1.26 -1.30 121.76 129.24 1t22 s ALA 184 Ca 0.00 0.97 -0.27 0.00 0.00 0.00 0.00 51.96 52.66 1t22 s ALA 184 Cb -0.18 -3.39 -0.09 0.00 0.00 0.00 0.00 23.12 19.45 1t22 s ALA 184 CO 0.01 -0.66 1.26 -1.25 0.00 0.00 0.00 175.76 175.13 1t22 s PRO 185 N -2.59 4.16 -0.20 0.00 0.04 -1.26 -4.58 135.00 130.56 1t22 s PRO 185 Ca 0.62 2.09 -0.21 0.00 0.04 0.00 0.00 61.00 63.54 1t22 s PRO 185 Cb -0.30 -2.87 -0.02 0.00 0.04 0.00 0.00 34.50 31.35 1t22 s PRO 185 CO 0.37 -0.31 0.62 0.15 0.04 0.00 0.00 177.00 177.87 1t22 s LYS 186 N -2.05 4.20 0.15 4.56 1.02 0.23 -4.80 119.74 123.05 1t22 s LYS 186 Ca 0.53 0.60 0.11 0.00 0.02 0.00 0.00 55.97 57.23 1t22 s LYS 186 Cb -0.37 -3.59 -0.04 0.00 -0.52 0.00 0.00 37.83 33.32 1t22 s LYS 186 CO 0.48 -0.26 -0.24 0.95 -0.92 0.00 0.00 175.35 175.36 1t22 s THR 187 N 1.97 2.43 0.25 2.17 -4.23 -1.26 -0.36 115.64 116.61 1t22 s THR 187 Ca 0.28 -1.82 -0.21 0.00 -1.18 0.00 0.00 61.69 58.76 1t22 s THR 187 Cb -0.16 -2.12 0.05 0.00 1.34 0.00 0.00 72.50 71.61 1t22 s THR 187 CO 0.10 0.00 0.87 -1.38 -0.54 0.00 0.00 174.62 173.68 1t22 s HIS 188 N -1.34 -0.05 0.02 3.99 -3.43 -1.15 -5.01 115.29 108.33 1t22 s HIS 188 Ca 0.18 -0.41 0.05 0.00 -0.80 0.00 0.00 55.06 54.08 1t22 s HIS 188 Cb -0.09 0.72 -0.02 0.00 -1.43 0.00 0.00 32.58 31.76 1t22 s HIS 188 CO 0.09 -1.13 -0.14 1.41 -2.00 0.00 0.00 174.74 172.96 1t22 s MET 189 N -3.00 1.00 0.14 -0.38 1.75 -1.26 -1.35 119.30 116.20 1t22 s MET 189 Ca 0.15 -0.68 0.11 0.00 -1.25 0.00 0.00 55.69 54.01 1t22 s MET 189 Cb -0.04 -1.00 -0.04 0.00 2.84 0.00 0.00 34.83 36.59 1t22 s MET 189 CO 0.06 0.26 -0.26 0.95 -0.65 0.00 0.00 175.02 175.38 1t22 s THR 190 N -0.68 2.22 -0.15 10.11 -4.23 -0.20 -4.97 115.64 117.74 1t22 s THR 190 Ca 0.03 -1.78 -0.01 0.00 -1.18 0.00 0.00 61.69 58.75 1t22 s THR 190 Cb -0.07 -1.98 -0.01 0.00 1.34 0.00 0.00 72.50 71.78 1t22 s THR 190 CO 0.01 0.04 -0.12 -2.28 -0.54 0.00 0.00 174.62 171.73 1t22 s HIS 191 N -1.17 2.83 -0.30 3.99 2.46 -1.26 -1.15 115.29 120.69 1t22 s HIS 191 Ca 0.14 -0.80 -0.02 0.00 0.47 0.00 0.00 55.06 54.85 1t22 s HIS 191 Cb -0.10 -1.90 0.10 0.00 -0.13 0.00 0.00 32.58 30.56 1t22 s HIS 191 CO 0.06 -0.34 0.12 -1.01 -2.47 0.00 0.00 174.74 171.10 1t22 s HIS 192 N 0.66 1.04 0.32 3.88 3.76 0.37 -4.97 115.29 120.35 1t22 s HIS 192 Ca -0.06 -1.35 -0.29 0.00 -0.15 0.00 0.00 55.06 53.20 1t22 s HIS 192 Cb -0.15 -1.32 -0.12 0.00 1.11 0.00 0.00 32.58 32.10 1t22 s HIS 192 CO 0.02 -0.85 1.44 0.00 -0.85 0.00 0.00 174.74 174.50 1t22 n ALA 193 N 4.98 1.87 0.19 -1.40 0.00 -1.26 0.04 120.51 124.93 1t22 n ALA 193 Ca -0.03 0.37 0.05 0.00 0.00 0.00 0.00 53.44 53.82 1t22 n ALA 193 Cb 0.42 -2.35 -0.07 0.00 0.00 0.00 0.00 19.45 17.45 1t22 n ALA 193 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1t22 n VAL 194 N 1.06 0.00 -3.64 0.00 0.24 -0.41 -4.81 118.33 110.76 1t22 n VAL 194 Ca 0.06 -0.25 -0.03 0.00 -2.04 0.00 0.00 64.34 62.09 1t22 n VAL 194 Cb 0.36 0.59 0.01 0.00 -1.47 0.00 0.00 33.84 33.34 1t22 n VAL 194 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1t22 n SER 195 N -1.57 -1.07 -0.00 -1.34 3.41 -1.01 -4.93 113.62 107.10 1t22 n SER 195 Ca -0.00 -1.61 0.14 0.00 -0.26 0.00 0.00 58.87 57.14 1t22 n SER 195 Cb 0.21 1.75 0.64 0.00 -0.26 0.00 0.00 64.21 66.55 1t22 n SER 195 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1t22 n ASP 196 N -1.06 0.02 -0.02 4.04 -0.08 -1.26 -3.65 116.55 114.53 1t22 n ASP 196 Ca -0.02 0.32 0.01 0.00 -1.51 0.00 0.00 54.79 53.59 1t22 n ASP 196 Cb 0.34 -0.43 -0.07 0.00 2.34 0.00 0.00 41.12 43.30 1t22 n ASP 196 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 1t22 n HIS 197 N -1.45 0.00 -4.39 -0.67 8.25 -1.26 -4.86 115.22 110.85 1t22 n HIS 197 Ca 0.09 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.32 1t22 n HIS 197 Cb 0.32 -0.30 -0.11 0.00 1.12 0.00 0.00 29.99 31.01 1t22 n HIS 197 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1t22 s GLU 198 N -2.48 1.43 -0.03 -0.41 8.01 -1.24 -0.33 118.70 123.64 1t22 s GLU 198 Ca -0.04 -1.53 -0.08 0.00 0.01 0.00 0.00 54.97 53.33 1t22 s GLU 198 Cb 0.05 -1.52 0.01 0.00 -4.31 0.00 0.00 34.13 28.35 1t22 s GLU 198 CO 0.38 0.30 0.17 0.00 0.01 0.00 0.00 175.26 176.13 1t22 s ALA 199 N -2.16 -0.42 -0.16 5.21 0.00 -0.06 -1.29 121.76 122.87 1t22 s ALA 199 Ca 0.21 0.17 -0.14 0.00 0.00 0.00 0.00 51.96 52.20 1t22 s ALA 199 Cb -0.05 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 1t22 s ALA 199 CO 0.09 -0.17 0.30 0.99 0.00 0.00 0.00 175.76 176.98 1t22 s THR 200 N -0.79 5.30 -0.19 0.00 2.01 0.11 -0.72 115.64 121.35 1t22 s THR 200 Ca -0.09 0.57 -0.06 0.00 0.31 0.00 0.00 61.69 62.42 1t22 s THR 200 Cb -0.05 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.79 1t22 s THR 200 CO 0.01 0.39 0.04 -0.76 -0.69 0.00 0.00 174.62 173.61 1t22 s LEU 201 N 0.44 3.55 -0.16 4.42 1.43 0.55 -0.48 118.68 128.44 1t22 s LEU 201 Ca 0.17 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.22 1t22 s LEU 201 Cb -0.13 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.19 1t22 s LEU 201 CO 0.04 0.11 -0.19 -0.60 0.23 0.00 0.00 176.35 175.95 1t22 s ARG 202 N 0.72 3.09 -0.32 1.70 3.52 -0.30 -1.14 118.95 126.23 1t22 s ARG 202 Ca 0.02 -0.81 -0.12 0.00 -0.13 0.00 0.00 55.73 54.69 1t22 s ARG 202 Cb -0.14 -2.55 -0.03 0.00 -1.56 0.00 0.00 34.95 30.67 1t22 s ARG 202 CO 0.02 -0.06 0.21 0.00 -0.81 0.00 0.00 175.30 174.67 1t22 s TRP 204 N 1.72 3.53 -0.13 0.00 0.52 -0.46 -1.16 118.94 122.96 1t22 s TRP 204 Ca 0.06 0.48 -0.00 0.00 0.02 0.00 0.00 56.10 56.66 1t22 s TRP 204 Cb -0.17 -1.92 0.02 0.00 -1.15 0.00 0.00 33.47 30.25 1t22 s TRP 204 CO 0.10 0.69 -0.11 0.00 0.02 0.00 0.00 176.95 177.65 1t22 s ALA 205 N -0.98 1.62 0.18 0.98 0.00 0.57 -2.92 121.76 121.21 1t22 s ALA 205 Ca 0.15 -0.75 0.07 0.00 0.00 0.00 0.00 51.96 51.42 1t22 s ALA 205 Cb -0.12 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 1t22 s ALA 205 CO 0.04 -0.41 -0.14 -0.51 0.00 0.00 0.00 175.76 174.74 1t22 s LEU 206 N 1.59 2.52 -1.63 0.00 1.43 0.52 -1.30 118.68 121.81 1t22 s LEU 206 Ca 0.05 -0.98 -0.16 0.00 -1.03 0.00 0.00 54.13 52.01 1t22 s LEU 206 Cb -0.13 -0.60 0.12 0.00 0.03 0.00 0.00 46.19 45.62 1t22 s LEU 206 CO -0.10 -0.19 0.84 -0.24 0.23 0.00 0.00 176.35 176.89 1t22 n SER 207 N -0.17 -3.65 -4.94 2.29 2.88 -0.70 -0.60 113.62 108.73 1t22 n SER 207 Ca -0.10 -0.93 -0.21 0.00 -1.33 0.00 0.00 58.87 56.30 1t22 n SER 207 Cb 0.60 -3.18 -0.02 0.00 -0.75 0.00 0.00 64.21 60.86 1t22 n SER 207 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1t22 s PHE 208 N -3.33 3.34 -0.24 0.66 -0.12 -1.00 -4.73 117.98 112.57 1t22 s PHE 208 Ca 0.67 -0.06 -0.16 0.00 -0.05 0.00 0.00 56.93 57.32 1t22 s PHE 208 Cb -0.35 -1.59 0.07 0.00 -0.63 0.00 0.00 43.02 40.51 1t22 s PHE 208 CO 0.89 0.40 0.60 -0.47 -0.05 0.00 0.00 175.22 176.59 1t22 s TYR 209 N -2.04 -0.81 1.02 3.49 5.04 -0.42 -0.96 117.35 122.66 1t22 s TYR 209 Ca 0.35 1.75 -0.17 0.00 -2.44 0.00 0.00 57.07 56.56 1t22 s TYR 209 Cb -0.09 0.40 0.25 0.00 0.35 0.00 0.00 41.96 42.87 1t22 s TYR 209 CO 0.28 -0.41 0.99 -0.35 -1.34 0.00 0.00 175.55 174.72 1t22 n PRO 210 N 3.71 -2.51 0.19 4.97 -0.04 -1.26 -0.39 135.00 139.68 1t22 n PRO 210 Ca -0.18 -1.56 0.04 0.00 -0.04 0.00 0.00 63.50 61.76 1t22 n PRO 210 Cb 0.57 -1.37 0.38 0.00 -0.04 0.00 0.00 33.50 33.04 1t22 n PRO 210 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1t22 h ALA 211 N -2.48 1.20 -2.41 0.55 0.00 -1.96 -3.45 119.26 110.71 1t22 h ALA 211 Ca -0.36 -0.33 -0.56 0.00 0.00 0.00 0.00 54.91 53.65 1t22 h ALA 211 Cb 1.07 -0.06 0.06 0.00 0.00 0.00 0.00 17.79 18.87 1t22 h ALA 211 CO 0.24 0.46 0.82 -1.91 0.00 0.00 0.00 179.25 178.86 1t22 n GLU 212 N -3.81 2.32 -3.54 0.00 4.07 -1.26 -4.96 120.64 113.45 1t22 n GLU 212 Ca -0.01 0.84 -0.10 0.00 -0.06 0.00 0.00 57.16 57.83 1t22 n GLU 212 Cb 0.44 -2.61 -0.04 0.00 -0.06 0.00 0.00 31.44 29.18 1t22 n GLU 212 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1t22 s ILE 213 N 0.73 0.00 -0.08 6.31 2.07 -1.26 -4.67 121.20 124.29 1t22 s ILE 213 Ca 0.75 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 60.00 1t22 s ILE 213 Cb -0.62 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 40.99 1t22 s ILE 213 CO 0.39 0.00 -0.08 -0.89 -1.91 0.00 0.00 174.94 172.45 1t22 s THR 214 N -2.03 0.92 -0.12 4.00 2.01 -0.64 -5.00 115.64 114.78 1t22 s THR 214 Ca 0.01 -0.29 0.01 0.00 0.31 0.00 0.00 61.69 61.73 1t22 s THR 214 Cb -0.01 -0.91 -0.01 0.00 0.01 0.00 0.00 72.50 71.58 1t22 s THR 214 CO -0.03 0.33 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.32 1t22 s LEU 215 N 1.24 2.57 0.01 4.42 1.43 -1.26 -1.09 118.68 126.00 1t22 s LEU 215 Ca -0.04 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1t22 s LEU 215 Cb -0.14 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 1t22 s LEU 215 CO -0.02 0.16 -0.05 -0.89 0.23 0.00 0.00 176.35 175.78 1t22 s THR 216 N 0.37 0.34 -0.10 5.49 2.01 -0.43 -4.96 115.64 118.34 1t22 s THR 216 Ca -0.12 -0.39 -0.04 0.00 0.31 0.00 0.00 61.69 61.44 1t22 s THR 216 Cb -0.16 -0.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.98 1t22 s THR 216 CO 0.06 -0.05 0.07 0.26 -0.69 0.00 0.00 174.62 174.27 1t22 s TRP 217 N -0.44 3.37 0.06 4.92 0.52 -1.26 0.09 118.94 126.21 1t22 s TRP 217 Ca -0.02 0.35 0.07 0.00 0.02 0.00 0.00 56.10 56.52 1t22 s TRP 217 Cb -0.04 -1.86 -0.03 0.00 -1.15 0.00 0.00 33.47 30.39 1t22 s TRP 217 CO -0.00 0.59 -0.18 -0.65 0.02 0.00 0.00 176.95 176.73 1t22 s GLN 218 N -0.93 1.11 -0.13 4.98 -0.21 0.38 -0.87 119.66 123.99 1t22 s GLN 218 Ca 0.14 -0.95 0.00 0.00 0.02 0.00 0.00 55.36 54.57 1t22 s GLN 218 Cb -0.12 -1.22 0.02 0.00 1.00 0.00 0.00 33.01 32.69 1t22 s GLN 218 CO 0.03 0.30 -0.12 0.50 -2.12 0.00 0.00 175.29 173.88 1t22 s ARG 219 N -1.45 1.99 -1.57 2.91 3.00 -0.02 -0.86 118.95 122.95 1t22 s ARG 219 Ca 0.04 -0.44 -0.10 0.00 -1.00 0.00 0.00 55.73 54.23 1t22 s ARG 219 Cb -0.09 -1.87 0.08 0.00 0.00 0.00 0.00 34.95 33.08 1t22 s ARG 219 CO 0.02 -0.21 0.59 -0.25 0.00 0.00 0.00 175.30 175.45 1t22 n ASP 220 N 4.72 -1.85 0.00 -2.12 8.00 -0.55 -1.56 116.55 123.19 1t22 n ASP 220 Ca -0.16 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.32 1t22 n ASP 220 Cb 0.50 -2.83 0.00 0.00 -0.02 0.00 0.00 41.12 38.77 1t22 n ASP 220 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1t22 n GLY 221 N -1.72 0.52 2.94 0.44 0.00 -1.26 -5.04 105.19 101.06 1t22 n GLY 221 Ca -0.11 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 1t22 n GLY 221 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1t22 s GLU 222 N -0.06 0.38 0.27 1.61 2.56 -0.60 -5.07 118.70 117.78 1t22 s GLU 222 Ca 0.00 -0.15 -0.28 0.00 0.00 0.00 0.00 54.97 54.54 1t22 s GLU 222 Cb 0.00 -0.38 -0.14 0.00 2.00 0.00 0.00 34.13 35.61 1t22 s GLU 222 CO 0.00 0.08 0.98 -0.25 -0.56 0.00 0.00 175.26 175.51 1t22 n ASP 223 N 3.06 1.09 -3.90 -1.70 8.00 -1.26 -0.84 116.55 121.00 1t22 n ASP 223 Ca -0.14 1.17 -0.22 0.00 0.71 0.00 0.00 54.79 56.31 1t22 n ASP 223 Cb 0.58 -1.26 -0.17 0.00 -0.02 0.00 0.00 41.12 40.25 1t22 n ASP 223 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1t22 s GLN 224 N -1.43 1.06 -0.03 -1.24 0.74 -0.05 -4.78 119.66 113.93 1t22 s GLN 224 Ca 0.60 -0.14 0.06 0.00 0.05 0.00 0.00 55.36 55.92 1t22 s GLN 224 Cb -0.73 -1.09 -0.09 0.00 1.10 0.00 0.00 33.01 32.21 1t22 s GLN 224 CO 0.59 -0.13 0.08 0.25 -0.55 0.00 0.00 175.29 175.53 1t22 n THR 225 N 4.36 0.20 -2.14 -0.34 -2.24 -1.26 -4.39 114.28 108.47 1t22 n THR 225 Ca -0.19 -0.20 -0.38 0.00 -2.27 0.00 0.00 64.05 61.01 1t22 n THR 225 Cb 0.51 -0.24 -0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1t22 n THR 225 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1t22 s GLN 226 N -2.29 3.82 -1.56 -0.78 -0.21 -1.26 -2.77 119.66 114.60 1t22 s GLN 226 Ca -0.03 1.97 -0.04 0.00 0.02 0.00 0.00 55.36 57.28 1t22 s GLN 226 Cb 0.03 -2.57 0.01 0.00 1.00 0.00 0.00 33.01 31.48 1t22 s GLN 226 CO 0.25 -0.56 0.50 -0.25 -2.12 0.00 0.00 175.29 173.11 1t22 n ASP 227 N -0.22 -5.87 -4.37 5.90 8.00 -1.26 -4.88 116.55 113.85 1t22 n ASP 227 Ca 0.06 -0.25 -0.19 0.00 0.71 0.00 0.00 54.79 55.12 1t22 n ASP 227 Cb 0.46 -4.78 -0.10 0.00 -0.02 0.00 0.00 41.12 36.68 1t22 n ASP 227 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1t22 s THR 228 N -3.13 1.87 -0.04 -3.53 -4.23 -1.12 -1.72 115.64 103.75 1t22 s THR 228 Ca 0.26 -2.25 -0.01 0.00 -1.18 0.00 0.00 61.69 58.51 1t22 s THR 228 Cb -0.12 -2.10 0.03 0.00 1.34 0.00 0.00 72.50 71.66 1t22 s THR 228 CO 0.32 -0.56 0.07 -0.70 -0.54 0.00 0.00 174.62 173.22 1t22 s GLU 229 N -3.62 0.01 -0.15 3.99 2.12 0.62 -4.96 118.70 116.71 1t22 s GLU 229 Ca 0.24 0.24 0.00 0.00 0.36 0.00 0.00 54.97 55.82 1t22 s GLU 229 Cb -0.01 -0.21 0.02 0.00 0.26 0.00 0.00 34.13 34.19 1t22 s GLU 229 CO 0.08 -0.16 -0.15 -0.51 -0.54 0.00 0.00 175.26 173.99 1t22 s LEU 230 N 1.04 1.71 0.38 2.70 1.43 -1.26 -0.35 118.68 124.34 1t22 s LEU 230 Ca -0.08 -0.49 -0.08 0.00 -1.03 0.00 0.00 54.13 52.45 1t22 s LEU 230 Cb -0.12 -1.19 -0.05 0.00 0.03 0.00 0.00 46.19 44.86 1t22 s LEU 230 CO -0.04 -0.05 0.70 0.68 0.23 0.00 0.00 176.35 177.88 1t22 s VAL 231 N 1.45 4.88 0.51 -1.59 -7.23 -1.14 -5.04 120.40 112.24 1t22 s VAL 231 Ca 0.04 0.36 -0.22 0.00 -1.81 0.00 0.00 61.98 60.36 1t22 s VAL 231 Cb -0.13 -3.76 -0.06 0.00 0.56 0.00 0.00 36.38 32.99 1t22 s VAL 231 CO -0.10 -0.52 1.21 -1.61 -0.31 0.00 0.00 175.10 173.77 1t22 s GLU 232 N -3.92 3.46 0.31 4.82 0.41 -1.26 -4.61 118.70 117.91 1t22 s GLU 232 Ca 0.48 1.87 -0.29 0.00 -0.41 0.00 0.00 54.97 56.61 1t22 s GLU 232 Cb -0.10 -2.26 -0.12 0.00 -1.78 0.00 0.00 34.13 29.87 1t22 s GLU 232 CO 0.33 -0.82 1.51 2.41 -0.49 0.00 0.00 175.26 178.21 1t22 n THR 233 N -0.85 1.35 -4.12 3.63 -1.04 -1.26 -4.87 114.28 107.12 1t22 n THR 233 Ca 0.09 -0.34 -0.14 0.00 -2.04 0.00 0.00 64.05 61.62 1t22 n THR 233 Cb 0.48 -1.86 -0.11 0.00 -1.82 0.00 0.00 70.33 67.02 1t22 n THR 233 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1t22 s ARG 234 N -1.02 0.68 0.30 -2.82 1.70 -0.78 -4.98 118.95 112.03 1t22 s ARG 234 Ca 0.61 -0.93 -0.28 0.00 -0.47 0.00 0.00 55.73 54.66 1t22 s ARG 234 Cb -0.52 -0.44 -0.09 0.00 -0.57 0.00 0.00 34.95 33.33 1t22 s ARG 234 CO 0.54 0.08 0.99 -1.25 -1.08 0.00 0.00 175.30 174.58 1t22 s PRO 235 N -2.06 4.61 0.11 3.89 0.04 -1.26 -0.59 135.00 139.75 1t22 s PRO 235 Ca -0.03 1.51 0.05 0.00 0.04 0.00 0.00 61.00 62.57 1t22 s PRO 235 Cb -0.07 -2.99 -0.22 0.00 0.04 0.00 0.00 34.50 31.26 1t22 s PRO 235 CO 0.00 0.27 1.26 0.00 0.04 0.00 0.00 177.00 178.57 1t22 h ALA 236 N 3.51 0.31 0.00 8.56 0.00 -1.35 -3.46 119.26 126.83 1t22 h ALA 236 Ca -0.46 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 53.55 1t22 h ALA 236 Cb 1.20 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1t22 h ALA 236 CO 0.66 1.19 0.00 0.41 0.00 0.00 0.00 179.25 181.51 1t22 n GLY 237 N 1.37 1.38 0.81 0.00 0.00 -1.26 -4.95 105.19 102.55 1t22 n GLY 237 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.08 1t22 n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1t22 n ASP 238 N 0.00 3.49 0.00 1.61 5.68 -1.26 -4.94 116.55 121.13 1t22 n ASP 238 Ca 0.00 -3.13 0.00 0.00 -0.50 0.00 0.00 54.79 51.16 1t22 n ASP 238 Cb 0.00 -0.54 0.00 0.00 -1.14 0.00 0.00 41.12 39.44 1t22 n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1t22 n GLY 239 N -0.72 2.34 3.94 6.12 0.00 -1.26 -5.05 105.19 110.56 1t22 n GLY 239 Ca 0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 1t22 n GLY 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1t22 s THR 240 N -2.67 2.15 0.36 2.61 -4.23 -1.26 -4.92 115.64 107.68 1t22 s THR 240 Ca 0.00 -1.28 0.06 0.00 -1.18 0.00 0.00 61.69 59.29 1t22 s THR 240 Cb 0.00 -2.43 -0.07 0.00 1.34 0.00 0.00 72.50 71.34 1t22 s THR 240 CO 0.00 0.00 0.01 -0.36 -0.54 0.00 0.00 174.62 173.73 1t22 s PHE 241 N -2.63 2.27 0.05 3.99 0.08 -0.14 -0.96 117.98 120.64 1t22 s PHE 241 Ca 0.47 -0.76 -0.01 0.00 0.12 0.00 0.00 56.93 56.75 1t22 s PHE 241 Cb -0.04 -1.52 -0.04 0.00 -0.57 0.00 0.00 43.02 40.85 1t22 s PHE 241 CO 0.29 0.30 -0.02 -0.65 -0.10 0.00 0.00 175.22 175.03 1t22 s GLN 242 N -3.76 0.62 -0.19 0.44 -0.21 0.25 -1.72 119.66 115.08 1t22 s GLN 242 Ca 0.35 -1.22 -0.29 0.00 0.02 0.00 0.00 55.36 54.21 1t22 s GLN 242 Cb 0.08 0.21 0.14 0.00 1.00 0.00 0.00 33.01 34.44 1t22 s GLN 242 CO 0.16 -0.12 1.05 0.21 -2.12 0.00 0.00 175.29 174.48 1t22 s LYS 243 N -3.92 0.51 0.02 2.91 2.20 -0.42 -1.86 119.74 119.18 1t22 s LYS 243 Ca 0.07 0.19 -0.05 0.00 -0.36 0.00 0.00 55.97 55.82 1t22 s LYS 243 Cb 0.08 0.24 -0.01 0.00 -1.51 0.00 0.00 37.83 36.63 1t22 s LYS 243 CO -0.10 -0.15 0.08 1.67 -0.36 0.00 0.00 175.35 176.49 1t22 s TRP 244 N -0.90 0.18 -0.02 4.03 1.48 -1.26 -0.32 118.94 122.13 1t22 s TRP 244 Ca 0.00 -0.42 0.05 0.00 -1.06 0.00 0.00 56.10 54.68 1t22 s TRP 244 Cb -0.01 -0.13 -0.01 0.00 -1.16 0.00 0.00 33.47 32.16 1t22 s TRP 244 CO -0.01 -0.31 -0.18 0.00 -4.06 0.00 0.00 176.95 172.40 1t22 s ALA 245 N -2.04 1.51 0.10 2.67 0.00 -0.31 -2.89 121.76 120.79 1t22 s ALA 245 Ca -0.10 -0.75 0.05 0.00 0.00 0.00 0.00 51.96 51.16 1t22 s ALA 245 Cb -0.05 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 1t22 s ALA 245 CO -0.02 0.34 -0.13 0.00 0.00 0.00 0.00 175.76 175.94 1t22 s ALA 246 N -0.27 1.29 -0.02 0.00 0.00 0.53 0.03 121.76 123.33 1t22 s ALA 246 Ca 0.03 -1.15 -0.02 0.00 0.00 0.00 0.00 51.96 50.82 1t22 s ALA 246 Cb -0.08 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.97 1t22 s ALA 246 CO 0.00 0.11 0.05 0.54 0.00 0.00 0.00 175.76 176.46 1t22 s VAL 247 N -1.82 0.02 -0.17 0.00 0.11 -0.29 -0.28 120.40 117.98 1t22 s VAL 247 Ca 0.04 -0.13 -0.13 0.00 -2.93 0.00 0.00 61.98 58.83 1t22 s VAL 247 Cb -0.07 -0.13 -0.05 0.00 -1.53 0.00 0.00 36.38 34.61 1t22 s VAL 247 CO 0.02 -0.07 0.26 -0.69 -3.33 0.00 0.00 175.10 171.29 1t22 s VAL 248 N -0.20 5.33 0.13 2.04 1.01 -0.70 -0.33 120.40 127.69 1t22 s VAL 248 Ca -0.02 0.47 0.01 0.00 0.00 0.00 0.00 61.98 62.44 1t22 s VAL 248 Cb -0.02 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1t22 s VAL 248 CO 0.00 0.41 -0.01 0.68 0.00 0.00 0.00 175.10 176.18 1t22 s VAL 249 N 0.39 0.54 0.20 2.92 -7.23 0.10 -4.95 120.40 112.37 1t22 s VAL 249 Ca 0.15 -1.94 -0.30 0.00 -1.81 0.00 0.00 61.98 58.08 1t22 s VAL 249 Cb -0.13 -1.93 -0.08 0.00 0.56 0.00 0.00 36.38 34.80 1t22 s VAL 249 CO 0.03 -0.63 1.21 -2.84 -0.31 0.00 0.00 175.10 172.55 1t22 s PRO 250 N -3.92 4.48 0.45 4.82 0.02 -1.26 -0.88 135.00 138.71 1t22 s PRO 250 Ca 0.19 1.91 -0.25 0.00 0.02 0.00 0.00 61.00 62.87 1t22 s PRO 250 Cb 0.06 -3.22 -0.09 0.00 0.02 0.00 0.00 34.50 31.27 1t22 s PRO 250 CO -0.00 -0.09 1.38 0.43 -0.33 0.00 0.00 177.00 178.39 1t22 n SER 251 N 2.35 3.03 0.00 2.53 7.64 0.55 -1.72 113.62 128.00 1t22 n SER 251 Ca 0.04 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1t22 n SER 251 Cb 0.44 -1.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.07 1t22 n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t22 n GLY 252 N 0.67 3.16 1.21 0.23 0.00 -1.26 -4.86 105.19 104.33 1t22 n GLY 252 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.19 1t22 n GLY 252 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1t22 n GLN 253 N -1.23 2.52 -0.34 1.61 1.13 -0.70 -4.65 117.38 115.73 1t22 n GLN 253 Ca 0.00 -2.36 0.20 0.00 -1.94 0.00 0.00 57.00 52.90 1t22 n GLN 253 Cb 0.00 -1.51 0.44 0.00 0.11 0.00 0.00 30.24 29.28 1t22 n GLN 253 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1t22 h GLU 254 N 3.86 0.49 0.00 -1.09 3.07 -1.90 -1.59 114.58 117.42 1t22 h GLU 254 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1t22 h GLU 254 Cb 0.88 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.68 1t22 h GLU 254 CO 0.00 0.32 0.00 1.96 -1.40 0.00 0.00 179.01 179.89 1t22 h GLN 255 N 0.50 0.00 0.00 2.33 4.20 -1.82 -1.74 115.11 118.58 1t22 h GLN 255 Ca 0.62 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.32 1t22 h GLN 255 Cb 1.35 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.13 1t22 h GLN 255 CO -0.39 0.00 -0.07 0.00 -0.67 0.00 0.00 178.83 177.71 1t22 h ARG 256 N 0.00 0.00 -5.70 1.46 3.08 -1.67 -3.46 114.38 108.10 1t22 h ARG 256 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 1t22 h ARG 256 Cb 0.10 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.07 1t22 h ARG 256 CO 0.00 0.07 -0.36 0.71 -1.07 0.00 0.00 179.97 179.31 1t22 s TYR 257 N -3.40 3.60 0.02 3.04 1.51 -0.66 -1.48 117.35 119.98 1t22 s TYR 257 Ca 0.04 0.68 0.04 0.00 -1.01 0.00 0.00 57.07 56.82 1t22 s TYR 257 Cb 0.07 -2.14 -0.02 0.00 -0.11 0.00 0.00 41.96 39.76 1t22 s TYR 257 CO 0.63 0.58 -0.14 0.95 -1.11 0.00 0.00 175.55 176.46 1t22 s THR 258 N -0.66 1.07 -0.15 -0.71 -4.23 -0.04 -4.39 115.64 106.53 1t22 s THR 258 Ca 0.18 -0.83 -0.05 0.00 -1.18 0.00 0.00 61.69 59.80 1t22 s THR 258 Cb -0.14 -0.94 -0.04 0.00 1.34 0.00 0.00 72.50 72.73 1t22 s THR 258 CO 0.07 0.10 0.03 0.00 -0.54 0.00 0.00 174.62 174.28 1t22 s HIS 260 N -0.00 2.82 -0.20 0.00 3.76 0.11 -0.86 115.29 120.92 1t22 s HIS 260 Ca 0.04 -1.00 -0.03 0.00 -0.15 0.00 0.00 55.06 53.93 1t22 s HIS 260 Cb -0.12 -1.92 -0.01 0.00 1.11 0.00 0.00 32.58 31.64 1t22 s HIS 260 CO 0.01 -0.46 -0.08 0.08 -0.85 0.00 0.00 174.74 173.44 1t22 s VAL 261 N 0.88 3.14 -0.10 -0.90 1.01 -0.29 -1.32 120.40 122.82 1t22 s VAL 261 Ca -0.04 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1t22 s VAL 261 Cb -0.15 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 1t22 s VAL 261 CO -0.01 0.46 -0.17 -1.10 0.00 0.00 0.00 175.10 174.28 1t22 s GLN 262 N 1.28 3.05 -0.27 2.72 -0.21 -0.25 -1.25 119.66 124.73 1t22 s GLN 262 Ca 0.03 -0.76 -0.25 0.00 0.02 0.00 0.00 55.36 54.40 1t22 s GLN 262 Cb -0.14 -2.45 0.08 0.00 1.00 0.00 0.00 33.01 31.50 1t22 s GLN 262 CO -0.04 0.30 0.78 -1.58 -2.12 0.00 0.00 175.29 172.63 1t22 s HIS 263 N 0.10 -0.72 0.61 0.91 2.46 -1.26 -1.61 115.29 115.77 1t22 s HIS 263 Ca -0.08 1.76 0.27 0.00 0.47 0.00 0.00 55.06 57.48 1t22 s HIS 263 Cb -0.15 0.29 1.31 0.00 -0.13 0.00 0.00 32.58 33.90 1t22 s HIS 263 CO 0.05 -0.36 1.73 1.49 -2.47 0.00 0.00 174.74 175.19 1t22 h GLU 264 N 4.80 0.00 -0.01 2.88 4.81 -1.95 0.45 114.58 125.56 1t22 h GLU 264 Ca -0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1t22 h GLU 264 Cb 1.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1t22 h GLU 264 CO 0.07 0.00 -0.00 0.41 -0.73 0.00 0.00 179.01 178.75 1t22 n GLY 265 N -1.49 -0.43 3.32 1.92 0.00 -1.26 -4.78 105.19 102.47 1t22 n GLY 265 Ca 0.08 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 1t22 n GLY 265 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t22 s LEU 266 N -2.01 2.84 0.22 0.99 1.43 0.16 -4.54 118.68 117.76 1t22 s LEU 266 Ca 0.42 -0.38 -0.07 0.00 -1.03 0.00 0.00 54.13 53.07 1t22 s LEU 266 Cb 0.21 -1.70 0.35 0.00 0.03 0.00 0.00 46.19 45.08 1t22 s LEU 266 CO 0.35 0.03 1.73 -0.65 0.23 0.00 0.00 176.35 178.04 1t22 h PRO 267 N 7.74 0.38 -4.43 1.29 0.11 -1.86 -3.42 132.00 131.81 1t22 h PRO 267 Ca -0.38 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 65.49 1t22 h PRO 267 Cb 1.17 -0.09 -0.18 0.00 0.11 0.00 0.00 31.00 32.02 1t22 h PRO 267 CO 0.60 0.25 -0.71 -1.59 -0.21 0.00 0.00 178.00 176.34 1t22 s LYS 268 N -6.07 0.60 0.71 1.05 -2.85 -1.26 -5.13 119.74 106.79 1t22 s LYS 268 Ca -0.13 -1.00 -0.16 0.00 -1.00 0.00 0.00 55.97 53.68 1t22 s LYS 268 Cb 0.19 -0.10 0.03 0.00 -2.06 0.00 0.00 37.83 35.88 1t22 s LYS 268 CO 0.75 -0.02 1.25 -1.25 0.10 0.00 0.00 175.35 176.18 1t22 s PRO 269 N -2.70 2.21 0.11 1.78 0.04 -1.26 -4.96 135.00 130.22 1t22 s PRO 269 Ca -0.01 1.91 -0.03 0.00 0.04 0.00 0.00 61.00 62.91 1t22 s PRO 269 Cb -0.02 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 1t22 s PRO 269 CO -0.03 -1.82 0.31 -0.51 0.04 0.00 0.00 177.00 174.99 1t22 s LEU 270 N -4.90 4.30 -0.09 -3.56 1.43 -0.38 -4.92 118.68 110.56 1t22 s LEU 270 Ca 0.78 0.47 0.02 0.00 -1.03 0.00 0.00 54.13 54.38 1t22 s LEU 270 Cb -0.33 -3.18 0.01 0.00 0.03 0.00 0.00 46.19 42.72 1t22 s LEU 270 CO 0.44 0.10 -0.14 -0.89 0.23 0.00 0.00 176.35 176.08 1t22 s THR 271 N -1.60 1.38 0.04 5.49 2.01 -1.26 -1.13 115.64 120.57 1t22 s THR 271 Ca 0.39 -0.59 0.08 0.00 0.31 0.00 0.00 61.69 61.87 1t22 s THR 271 Cb -0.12 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 71.10 1t22 s THR 271 CO 0.26 0.41 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.62 1t22 s LEU 272 N 0.83 2.40 -0.04 4.42 1.02 -0.04 -4.94 118.68 122.33 1t22 s LEU 272 Ca -0.11 -0.51 -0.03 0.00 0.02 0.00 0.00 54.13 53.50 1t22 s LEU 272 Cb -0.15 -1.40 0.01 0.00 0.02 0.00 0.00 46.19 44.67 1t22 s LEU 272 CO 0.01 0.26 0.10 -0.60 0.02 0.00 0.00 176.35 176.14 1t22 s ARG 273 N -1.36 0.11 0.21 1.70 3.52 -1.26 -0.78 118.95 121.09 1t22 s ARG 273 Ca 0.13 0.17 -0.31 0.00 -0.13 0.00 0.00 55.73 55.59 1t22 s ARG 273 Cb -0.10 0.01 -0.10 0.00 -1.56 0.00 0.00 34.95 33.20 1t22 s ARG 273 CO 0.04 -0.04 1.53 -0.46 -0.81 0.00 0.00 175.30 175.56 1t22 s TRP 274 N 0.23 3.01 -0.59 5.12 -0.11 -1.26 -5.05 118.94 120.29 1t22 s TRP 274 Ca -0.02 0.77 0.00 0.00 1.22 0.00 0.00 56.10 58.08 1t22 s TRP 274 Cb -0.03 -3.91 0.00 0.00 -1.50 0.00 0.00 33.47 28.03 1t22 s TRP 274 CO -0.01 -3.20 0.15 -0.85 -4.62 0.00 0.00 176.95 168.42