#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsl n PHE 5 N 0.00 3.39 -0.01 -0.67 7.35 -1.26 -2.64 117.46 123.61 3hsl n PHE 5 Ca 0.00 -2.44 0.02 0.00 -0.76 0.00 0.00 57.45 54.27 3hsl n PHE 5 Cb 0.00 -2.41 0.37 0.00 0.35 0.00 0.00 39.48 37.79 3hsl n PHE 5 CO 0.00 0.00 0.00 1.12 -0.76 0.00 0.00 176.76 177.12 3hsl h HIS 6 N 7.47 0.54 -2.04 -5.13 2.07 -1.90 -3.45 115.15 112.71 3hsl h HIS 6 Ca 0.45 -0.01 0.02 0.00 -2.85 0.00 0.00 60.37 57.98 3hsl h HIS 6 Cb 0.76 -0.18 -0.21 0.00 2.57 0.00 0.00 27.41 30.35 3hsl h HIS 6 CO 1.36 0.41 -0.03 -0.47 -3.07 0.00 0.00 177.93 176.13 3hsl s TYR 7 N -5.34 -1.09 0.14 6.12 5.04 -0.87 -2.70 117.35 118.66 3hsl s TYR 7 Ca -0.08 2.12 0.04 0.00 -2.44 0.00 0.00 57.07 56.71 3hsl s TYR 7 Cb 0.17 0.64 -0.04 0.00 0.35 0.00 0.00 41.96 43.08 3hsl s TYR 7 CO 0.74 -0.54 -0.10 0.20 -1.34 0.00 0.00 175.55 174.51 3hsl s GLY 8 N 1.86 1.03 -0.05 8.97 0.00 -1.26 0.79 107.32 118.66 3hsl s GLY 8 Ca -0.09 -1.44 -0.07 0.00 0.00 0.00 0.00 44.72 43.11 3hsl s GLY 8 CO -0.19 -1.54 0.18 0.54 0.00 0.00 0.00 173.10 172.09 3hsl s VAL 9 N -3.21 0.03 -0.13 1.40 0.11 0.59 -1.52 120.40 117.67 3hsl s VAL 9 Ca 0.15 -0.22 -0.14 0.00 -2.93 0.00 0.00 61.98 58.84 3hsl s VAL 9 Cb 0.02 -0.34 -0.05 0.00 -1.53 0.00 0.00 36.38 34.48 3hsl s VAL 9 CO 0.00 -0.12 0.31 -0.60 -3.33 0.00 0.00 175.10 171.36 3hsl s ARG 10 N -0.40 4.13 -0.17 1.54 3.52 0.11 -0.71 118.95 126.96 3hsl s ARG 10 Ca -0.05 0.15 -0.20 0.00 -0.13 0.00 0.00 55.73 55.51 3hsl s ARG 10 Cb -0.03 -3.37 -0.03 0.00 -1.56 0.00 0.00 34.95 29.95 3hsl s ARG 10 CO 0.01 0.36 0.57 0.08 -0.81 0.00 0.00 175.30 175.50 3hsl s VAL 11 N 0.08 5.08 -1.20 7.11 1.01 -0.01 -1.53 120.40 130.94 3hsl s VAL 11 Ca 0.18 1.07 -0.20 0.00 0.00 0.00 0.00 61.98 63.03 3hsl s VAL 11 Cb -0.14 -3.89 0.03 0.00 0.00 0.00 0.00 36.38 32.38 3hsl s VAL 11 CO 0.06 0.18 1.74 -0.62 0.00 0.00 0.00 175.10 176.47 3hsl s ASP 12 N 1.05 6.29 0.51 3.32 -1.08 0.13 -4.40 116.67 122.49 3hsl s ASP 12 Ca 0.27 -2.00 0.21 0.00 -0.52 0.00 0.00 52.55 50.51 3hsl s ASP 12 Cb -0.16 -2.58 1.35 0.00 -1.46 0.00 0.00 42.92 40.08 3hsl s ASP 12 CO 0.11 -1.74 2.11 -0.37 0.52 0.00 0.00 175.17 175.80 3hsl h VAL 13 N 6.01 0.84 -0.51 1.11 -1.51 -1.91 -1.65 116.25 118.64 3hsl h VAL 13 Ca 0.34 -0.32 -0.06 0.00 -1.23 0.00 0.00 66.70 65.42 3hsl h VAL 13 Cb 0.92 1.19 -0.02 0.00 -2.13 0.00 0.00 31.29 31.24 3hsl h VAL 13 CO 1.39 0.09 0.06 0.74 -1.23 0.00 0.00 177.57 178.61 3hsl h THR 14 N 0.00 1.23 -0.08 7.19 2.02 -1.94 -0.27 112.91 121.06 3hsl h THR 14 Ca -0.00 -0.92 -0.24 0.00 0.77 0.00 0.00 66.41 66.02 3hsl h THR 14 Cb 0.18 0.78 0.01 0.00 -1.74 0.00 0.00 68.15 67.39 3hsl h THR 14 CO 0.01 0.33 -0.90 0.25 0.37 0.00 0.00 175.52 175.58 3hsl h LEU 15 N 0.77 0.93 -1.41 2.58 5.85 -1.73 -3.07 115.31 119.23 3hsl h LEU 15 Ca 0.16 -0.67 -0.06 0.00 0.84 0.00 0.00 57.88 58.15 3hsl h LEU 15 Cb 0.38 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3hsl h LEU 15 CO 0.01 1.47 -0.30 -0.07 -0.34 0.00 0.00 178.44 179.21 3hsl h LEU 16 N 0.47 0.00 -0.32 2.25 3.38 -0.98 -2.73 115.31 117.39 3hsl h LEU 16 Ca -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3hsl h LEU 16 Cb 1.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 3hsl h LEU 16 CO 0.18 0.30 0.12 0.28 0.09 0.00 0.00 178.44 179.41 3hsl h SER 17 N 0.00 0.44 0.28 -0.43 0.02 -0.99 0.43 113.55 113.30 3hsl h SER 17 Ca -0.00 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 3hsl h SER 17 Cb 0.52 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.95 3hsl h SER 17 CO 0.04 0.50 -0.02 0.11 -1.14 0.00 0.00 176.83 176.31 3hsl h LYS 18 N 0.37 0.00 -0.00 3.45 6.56 -1.40 -2.12 116.57 123.43 3hsl h LYS 18 Ca 0.11 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.70 3hsl h LYS 18 Cb 0.19 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.85 3hsl h LYS 18 CO -0.01 0.02 -0.71 -0.89 -2.06 0.00 0.00 179.45 175.81 3hsl n ILE 19 N -3.29 0.00 -0.31 1.86 5.41 -0.75 -4.70 119.36 117.59 3hsl n ILE 19 Ca -0.02 -0.15 0.19 0.00 1.00 0.00 0.00 62.75 63.78 3hsl n ILE 19 Cb 0.15 1.05 0.37 0.00 -0.71 0.00 0.00 39.64 40.50 3hsl n ILE 19 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 3hsl n ARG 20 N -1.11 -0.07 -0.28 0.38 0.63 0.14 -0.45 116.66 115.92 3hsl n ARG 20 Ca 0.04 1.33 0.14 0.00 -0.92 0.00 0.00 57.85 58.44 3hsl n ARG 20 Cb 0.29 -2.21 0.40 0.00 0.45 0.00 0.00 32.46 31.39 3hsl n ARG 20 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 3hsl h ARG 21 N 0.00 0.62 -0.34 -0.14 2.43 -1.84 0.58 114.38 115.69 3hsl h ARG 21 Ca 0.64 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.64 3hsl h ARG 21 Cb 1.47 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 3hsl h ARG 21 CO -0.81 0.41 -0.28 0.28 -1.51 0.00 0.00 179.97 178.06 3hsl h VAL 22 N 0.64 1.29 -0.59 0.20 2.07 -1.12 -3.02 116.25 115.72 3hsl h VAL 22 Ca 0.47 -1.44 -0.08 0.00 0.82 0.00 0.00 66.70 66.47 3hsl h VAL 22 Cb 0.85 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 3hsl h VAL 22 CO -0.22 0.47 0.04 -1.13 0.02 0.00 0.00 177.57 176.75 3hsl h ASN 23 N 0.58 0.96 0.43 0.57 -1.24 -0.99 -2.84 115.58 113.04 3hsl h ASN 23 Ca 0.06 -0.24 -0.04 0.00 0.71 0.00 0.00 56.30 56.79 3hsl h ASN 23 Cb 0.85 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.64 3hsl h ASN 23 CO 0.07 0.99 -0.20 -0.33 -1.29 0.00 0.00 177.43 176.68 3hsl h GLU 24 N 0.92 0.00 0.01 6.67 4.39 -1.03 -1.58 114.58 123.97 3hsl h GLU 24 Ca 0.18 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.67 3hsl h GLU 24 Cb 0.48 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 3hsl h GLU 24 CO 0.02 0.20 -0.95 1.25 -1.16 0.00 0.00 179.01 178.37 3hsl h HIS 25 N 0.00 0.11 -0.08 4.33 2.76 -1.37 -3.32 115.15 117.57 3hsl h HIS 25 Ca -0.00 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.10 3hsl h HIS 25 Cb 0.46 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.42 3hsl h HIS 25 CO 0.00 0.97 0.00 0.44 -1.30 0.00 0.00 177.93 178.04 3hsl n ILE 26 N -3.49 0.11 -0.35 6.26 -5.35 -1.10 -4.74 119.36 110.69 3hsl n ILE 26 Ca -0.02 -0.56 0.14 0.00 -0.27 0.00 0.00 62.75 62.05 3hsl n ILE 26 Cb 0.88 1.28 0.34 0.00 -1.74 0.00 0.00 39.64 40.40 3hsl n ILE 26 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 3hsl h LYS 27 N 3.57 0.68 -0.19 6.28 2.10 -1.39 -1.55 116.57 126.07 3hsl h LYS 27 Ca 0.00 -0.04 -0.18 0.00 -2.00 0.00 0.00 60.65 58.43 3hsl h LYS 27 Cb 0.78 -0.15 -0.00 0.00 -0.90 0.00 0.00 32.23 31.95 3hsl h LYS 27 CO 0.00 0.45 -0.60 0.66 -2.00 0.00 0.00 179.45 177.96 3hsl h SER 28 N 0.70 0.71 0.12 7.07 4.64 -1.86 -0.49 113.55 124.44 3hsl h SER 28 Ca 0.60 -0.40 -0.07 0.00 -0.47 0.00 0.00 61.79 61.44 3hsl h SER 28 Cb 1.00 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.87 3hsl h SER 28 CO -0.41 1.15 -0.25 0.00 -0.87 0.00 0.00 176.83 176.44 3hsl h ALA 29 N 0.86 1.34 -0.01 5.18 0.00 -1.71 -3.16 119.26 121.76 3hsl h ALA 29 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3hsl h ALA 29 Cb 1.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3hsl h ALA 29 CO 0.12 0.46 -0.45 0.25 0.00 0.00 0.00 179.25 179.63 3hsl n THR 30 N -4.16 0.00 -0.22 0.00 -2.24 -0.66 -4.46 114.28 102.54 3hsl n THR 30 Ca -0.01 -0.22 0.03 0.00 -2.27 0.00 0.00 64.05 61.58 3hsl n THR 30 Cb 0.36 1.05 0.14 0.00 -2.10 0.00 0.00 70.33 69.78 3hsl n THR 30 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3hsl h LYS 31 N 2.08 0.24 -0.46 -0.78 3.64 -1.05 0.26 116.57 120.51 3hsl h LYS 31 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3hsl h LYS 31 Cb 0.69 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3hsl h LYS 31 CO 0.00 0.16 0.00 2.41 -2.27 0.00 0.00 179.45 179.75 3hsl n THR 32 N -5.15 0.60 -0.70 1.00 -1.04 -1.26 -3.91 114.28 103.82 3hsl n THR 32 Ca 0.11 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 3hsl n THR 32 Cb 0.38 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.89 3hsl n THR 32 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hsl n GLY 33 N 0.73 -0.94 3.21 3.41 0.00 0.92 -4.88 105.19 107.65 3hsl n GLY 33 Ca 0.10 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.16 3hsl n GLY 33 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hsl s VAL 34 N -0.62 1.82 -0.09 1.61 1.01 0.42 -1.73 120.40 122.82 3hsl s VAL 34 Ca 0.00 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 3hsl s VAL 34 Cb 0.00 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 3hsl s VAL 34 CO 0.00 0.51 0.09 -0.69 0.00 0.00 0.00 175.10 175.02 3hsl s VAL 35 N -0.04 5.07 0.03 2.92 1.01 0.33 -0.77 120.40 128.95 3hsl s VAL 35 Ca -0.05 -0.00 0.03 0.00 0.00 0.00 0.00 61.98 61.95 3hsl s VAL 35 Cb -0.13 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 3hsl s VAL 35 CO 0.04 0.58 -0.09 -1.10 0.00 0.00 0.00 175.10 174.52 3hsl s GLN 36 N -1.09 0.61 -0.22 2.72 -0.21 0.79 -1.31 119.66 120.95 3hsl s GLN 36 Ca 0.16 -0.61 0.01 0.00 0.02 0.00 0.00 55.36 54.93 3hsl s GLN 36 Cb -0.12 -0.51 0.05 0.00 1.00 0.00 0.00 33.01 33.44 3hsl s GLN 36 CO 0.05 0.12 -0.06 0.08 -2.12 0.00 0.00 175.29 173.36 3hsl s VAL 37 N -0.91 1.51 0.17 1.09 1.01 -0.35 -1.38 120.40 121.54 3hsl s VAL 37 Ca -0.04 -1.12 -0.14 0.00 0.00 0.00 0.00 61.98 60.69 3hsl s VAL 37 Cb -0.07 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.59 3hsl s VAL 37 CO 0.01 -0.02 0.41 -1.38 0.00 0.00 0.00 175.10 174.11 3hsl s HIS 38 N 1.42 0.06 0.00 5.22 -0.00 -0.71 -0.52 115.29 120.77 3hsl s HIS 38 Ca -0.04 -0.42 0.00 0.00 -0.00 0.00 0.00 55.06 54.60 3hsl s HIS 38 Cb -0.18 0.20 0.00 0.00 -0.00 0.00 0.00 32.58 32.60 3hsl s HIS 38 CO -0.07 -0.81 0.00 0.41 -0.00 0.00 0.00 174.74 174.28 3hsl n GLY 39 N -0.27 -0.16 3.75 -1.38 0.00 -0.46 0.70 105.19 107.36 3hsl n GLY 39 Ca -0.10 -2.07 -0.36 0.00 0.00 0.00 0.00 46.02 43.49 3hsl n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hsl s SER 40 N -4.00 5.00 0.39 1.61 1.04 -1.26 -0.09 113.70 116.39 3hsl s SER 40 Ca 0.00 2.48 0.16 0.00 0.48 0.00 0.00 55.95 59.07 3hsl s SER 40 Cb 0.00 -2.61 0.82 0.00 0.10 0.00 0.00 66.02 64.33 3hsl s SER 40 CO 0.00 -1.73 1.84 0.00 0.98 0.00 0.00 173.24 174.33 3hsl h ALA 41 N 0.79 1.28 0.23 5.32 0.00 -1.77 -2.60 119.26 122.52 3hsl h ALA 41 Ca -0.51 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.08 3hsl h ALA 41 Cb 1.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3hsl h ALA 41 CO 0.55 0.42 -0.11 0.00 0.00 0.00 0.00 179.25 180.11 3hsl s THR 43 N -4.09 0.97 0.54 0.00 -4.23 -1.20 -4.32 115.64 103.32 3hsl s THR 43 Ca -0.13 -2.44 -0.07 0.00 -1.18 0.00 0.00 61.69 57.87 3hsl s THR 43 Cb 0.01 -1.68 -0.03 0.00 1.34 0.00 0.00 72.50 72.14 3hsl s THR 43 CO 0.52 -0.98 0.88 -2.16 -0.54 0.00 0.00 174.62 172.33 3hsl s PRO 44 N 0.40 3.47 0.05 3.99 0.04 -0.98 -4.16 135.00 137.80 3hsl s PRO 44 Ca 0.20 0.34 -0.07 0.00 0.04 0.00 0.00 61.00 61.52 3hsl s PRO 44 Cb -0.18 -2.27 -0.05 0.00 0.04 0.00 0.00 34.50 32.04 3hsl s PRO 44 CO -0.04 -0.39 0.31 0.99 0.04 0.00 0.00 177.00 177.92 3hsl s THR 45 N -2.91 5.23 -0.20 1.26 2.01 0.22 -4.31 115.64 116.94 3hsl s THR 45 Ca 0.51 0.20 -0.05 0.00 0.31 0.00 0.00 61.69 62.66 3hsl s THR 45 Cb -0.11 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 3hsl s THR 45 CO 0.48 0.30 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.47 3hsl s LEU 46 N -1.94 3.18 0.04 4.42 2.96 0.09 -1.73 118.68 125.71 3hsl s LEU 46 Ca 0.31 -0.23 -0.08 0.00 -0.22 0.00 0.00 54.13 53.90 3hsl s LEU 46 Cb -0.13 -1.80 -0.00 0.00 0.50 0.00 0.00 46.19 44.75 3hsl s LEU 46 CO 0.18 0.06 0.17 -0.94 -1.32 0.00 0.00 176.35 174.50 3hsl s SER 47 N 1.02 0.09 -0.05 3.68 1.04 -0.48 0.13 113.70 119.13 3hsl s SER 47 Ca 0.01 -0.44 0.04 0.00 0.48 0.00 0.00 55.95 56.04 3hsl s SER 47 Cb -0.14 0.28 -0.00 0.00 0.10 0.00 0.00 66.02 66.25 3hsl s SER 47 CO 0.01 -0.56 -0.18 -0.69 0.98 0.00 0.00 173.24 172.81 3hsl s VAL 48 N -2.71 1.49 0.27 5.02 1.01 0.16 -0.15 120.40 125.50 3hsl s VAL 48 Ca -0.04 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.28 3hsl s VAL 48 Cb -0.00 -1.29 -0.06 0.00 0.00 0.00 0.00 36.38 35.03 3hsl s VAL 48 CO -0.05 0.43 -0.10 -0.76 0.00 0.00 0.00 175.10 174.63 3hsl s LEU 49 N 0.13 2.53 -0.29 3.92 1.02 0.05 -0.94 118.68 125.10 3hsl s LEU 49 Ca -0.06 -1.14 -0.28 0.00 0.02 0.00 0.00 54.13 52.67 3hsl s LEU 49 Cb -0.13 -0.73 0.19 0.00 0.02 0.00 0.00 46.19 45.55 3hsl s LEU 49 CO 0.03 -0.25 1.38 -0.94 0.02 0.00 0.00 176.35 176.59 3hsl s SER 50 N -3.44 -0.03 0.83 2.29 1.04 -1.03 -0.44 113.70 112.93 3hsl s SER 50 Ca 0.28 0.04 -0.11 0.00 0.48 0.00 0.00 55.95 56.65 3hsl s SER 50 Cb 0.02 0.03 0.09 0.00 0.10 0.00 0.00 66.02 66.26 3hsl s SER 50 CO 0.11 -0.03 1.10 -0.94 0.98 0.00 0.00 173.24 174.47 3hsl s SER 51 N -0.83 3.98 -0.22 7.02 1.04 -1.26 -0.26 113.70 123.18 3hsl s SER 51 Ca 0.09 1.79 -0.04 0.00 0.48 0.00 0.00 55.95 58.27 3hsl s SER 51 Cb -0.02 -2.45 0.09 0.00 0.10 0.00 0.00 66.02 63.74 3hsl s SER 51 CO -0.10 -2.37 0.16 -0.69 0.98 0.00 0.00 173.24 171.23 3hsl s VAL 52 N -2.87 -0.19 0.00 5.02 1.01 0.10 -4.70 120.40 118.77 3hsl s VAL 52 Ca 0.63 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.31 3hsl s VAL 52 Cb -0.18 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.47 3hsl s VAL 52 CO 0.57 -0.36 0.00 0.61 0.00 0.00 0.00 175.10 175.91 3hsl n GLY 53 N 5.29 -0.14 0.23 4.51 0.00 -1.26 -2.84 105.19 110.98 3hsl n GLY 53 Ca -0.06 -1.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 3hsl n GLY 53 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hsl h THR 54 N 0.00 1.28 -1.91 2.61 1.35 -1.95 -3.40 112.91 110.90 3hsl h THR 54 Ca 0.00 -1.30 -0.51 0.00 -0.55 0.00 0.00 66.41 64.05 3hsl h THR 54 Cb 0.00 1.33 -0.38 0.00 -1.73 0.00 0.00 68.15 67.37 3hsl h THR 54 CO 0.00 0.43 -1.11 0.00 -0.25 0.00 0.00 175.52 174.59 3hsl n ALA 55 N -2.47 2.10 -2.86 6.62 0.00 -1.26 -5.09 120.51 117.55 3hsl n ALA 55 Ca -0.02 -3.31 -0.10 0.00 0.00 0.00 0.00 53.44 50.01 3hsl n ALA 55 Cb 0.41 -0.88 -0.10 0.00 0.00 0.00 0.00 19.45 18.89 3hsl n ALA 55 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hsl s GLY 56 N -1.66 0.14 -0.16 0.00 0.00 -1.13 -0.75 107.32 103.75 3hsl s GLY 56 Ca 0.37 -0.43 -0.02 0.00 0.00 0.00 0.00 44.72 44.64 3hsl s GLY 56 CO -0.10 -0.56 0.01 0.14 0.00 0.00 0.00 173.10 172.58 3hsl s VAL 57 N -2.14 0.65 0.32 1.40 1.01 -0.36 -0.72 120.40 120.56 3hsl s VAL 57 Ca -0.09 -0.45 -0.20 0.00 0.00 0.00 0.00 61.98 61.24 3hsl s VAL 57 Cb -0.04 -1.00 -0.09 0.00 0.00 0.00 0.00 36.38 35.24 3hsl s VAL 57 CO -0.02 -0.03 0.83 -0.22 0.00 0.00 0.00 175.10 175.65 3hsl s LEU 58 N 1.82 4.19 -0.19 3.92 0.20 0.64 -1.44 118.68 127.82 3hsl s LEU 58 Ca 0.01 1.55 -0.04 0.00 0.69 0.00 0.00 54.13 56.34 3hsl s LEU 58 Cb -0.16 -4.01 0.09 0.00 -0.43 0.00 0.00 46.19 41.68 3hsl s LEU 58 CO -0.07 -0.13 0.26 -0.83 -0.29 0.00 0.00 176.35 175.29 3hsl s GLY 59 N -1.90 -0.10 -0.20 7.98 0.00 -0.42 -2.45 107.32 110.23 3hsl s GLY 59 Ca 0.51 0.53 -0.08 0.00 0.00 0.00 0.00 44.72 45.68 3hsl s GLY 59 CO 0.19 2.20 0.09 -2.27 0.00 0.00 0.00 173.10 173.31 3hsl s LEU 60 N 2.39 3.83 -0.06 0.66 2.96 -0.12 -2.32 118.68 126.03 3hsl s LEU 60 Ca 0.07 0.05 0.01 0.00 -0.22 0.00 0.00 54.13 54.03 3hsl s LEU 60 Cb -0.15 -1.99 0.02 0.00 0.50 0.00 0.00 46.19 44.57 3hsl s LEU 60 CO -0.12 0.12 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.84 3hsl s ARG 61 N 0.70 1.07 -0.23 1.98 0.52 0.11 -0.67 118.95 122.44 3hsl s ARG 61 Ca 0.04 -0.16 0.02 0.00 -0.52 0.00 0.00 55.73 55.11 3hsl s ARG 61 Cb -0.13 -1.06 0.05 0.00 0.52 0.00 0.00 34.95 34.32 3hsl s ARG 61 CO 0.02 -0.10 -0.14 0.42 0.02 0.00 0.00 175.30 175.51 3hsl s ILE 62 N 1.07 2.09 0.53 1.52 1.01 0.36 -1.98 121.20 125.81 3hsl s ILE 62 Ca -0.08 -1.36 -0.06 0.00 0.00 0.00 0.00 60.65 59.14 3hsl s ILE 62 Cb -0.14 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 40.20 3hsl s ILE 62 CO -0.01 0.17 0.86 -1.59 0.00 0.00 0.00 174.94 174.37 3hsl s LYS 63 N 1.19 3.39 -0.91 2.79 0.00 -0.41 -0.73 119.74 125.06 3hsl s LYS 63 Ca -0.04 0.24 -0.03 0.00 0.00 0.00 0.00 55.97 56.14 3hsl s LYS 63 Cb -0.17 -2.30 0.03 0.00 0.00 0.00 0.00 37.83 35.38 3hsl s LYS 63 CO -0.08 -0.39 0.15 0.09 0.00 0.00 0.00 175.35 175.12 3hsl n ASN 64 N -2.42 -3.16 -0.86 0.03 3.02 -1.26 -4.82 115.26 105.78 3hsl n ASN 64 Ca 0.02 0.06 0.08 0.00 -0.03 0.00 0.00 54.58 54.71 3hsl n ASN 64 Cb 0.56 -2.70 0.19 0.00 -0.61 0.00 0.00 39.78 37.21 3hsl n ASN 64 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hsl n ALA 65 N -2.69 2.30 -2.81 5.41 0.00 -1.26 -4.95 120.51 116.50 3hsl n ALA 65 Ca -0.07 -1.09 -0.14 0.00 0.00 0.00 0.00 53.44 52.14 3hsl n ALA 65 Cb 0.56 -0.61 -0.13 0.00 0.00 0.00 0.00 19.45 19.27 3hsl n ALA 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hsl s LEU 66 N -1.07 2.13 -0.14 0.00 1.02 -1.26 -0.69 118.68 118.66 3hsl s LEU 66 Ca 0.30 -0.31 -0.01 0.00 0.02 0.00 0.00 54.13 54.14 3hsl s LEU 66 Cb 0.17 -0.22 0.04 0.00 0.02 0.00 0.00 46.19 46.19 3hsl s LEU 66 CO 0.22 -0.06 -0.05 -0.89 0.02 0.00 0.00 176.35 175.59 3hsl s THR 67 N -0.72 0.95 0.67 5.49 2.01 -0.58 -4.55 115.64 118.91 3hsl s THR 67 Ca -0.04 -0.44 -0.16 0.00 0.31 0.00 0.00 61.69 61.37 3hsl s THR 67 Cb -0.06 -1.11 0.00 0.00 0.01 0.00 0.00 72.50 71.35 3hsl s THR 67 CO 0.00 0.19 1.15 -2.16 -0.69 0.00 0.00 174.62 173.10 3hsl s PRO 68 N 1.71 2.65 0.02 4.92 0.04 -1.26 0.04 135.00 143.11 3hsl s PRO 68 Ca 0.02 1.55 -0.19 0.00 0.04 0.00 0.00 61.00 62.42 3hsl s PRO 68 Cb -0.14 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 3hsl s PRO 68 CO -0.08 -1.40 0.55 -0.51 0.04 0.00 0.00 177.00 175.61 3hsl s LEU 69 N -4.81 4.46 0.47 -3.56 1.43 -0.58 -4.80 118.68 111.29 3hsl s LEU 69 Ca 0.70 1.15 -0.24 0.00 -1.03 0.00 0.00 54.13 54.71 3hsl s LEU 69 Cb -0.24 -2.85 -0.08 0.00 0.03 0.00 0.00 46.19 43.05 3hsl s LEU 69 CO 0.41 0.19 1.30 1.33 0.23 0.00 0.00 176.35 179.81 3hsl n VAL 70 N 2.29 2.98 -0.55 -1.59 0.24 -1.26 -3.65 118.33 116.80 3hsl n VAL 70 Ca -0.09 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 3hsl n VAL 70 Cb 0.51 -1.62 0.00 0.00 -1.47 0.00 0.00 33.84 31.26 3hsl n VAL 70 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hsl n GLY 71 N 0.78 0.77 3.73 7.63 0.00 -1.26 -5.07 105.19 111.77 3hsl n GLY 71 Ca 0.08 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 3hsl n GLY 71 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3hsl s HIS 72 N -2.00 3.79 0.11 1.61 -3.43 -1.24 -4.98 115.29 109.15 3hsl s HIS 72 Ca 0.00 1.78 -0.21 0.00 -0.80 0.00 0.00 55.06 55.84 3hsl s HIS 72 Cb 0.00 -3.07 -0.09 0.00 -1.43 0.00 0.00 32.58 27.99 3hsl s HIS 72 CO 0.00 0.16 1.76 1.79 -2.00 0.00 0.00 174.74 176.45 3hsl h THR 73 N 4.11 1.01 -3.16 -5.38 1.35 -1.82 -3.40 112.91 105.62 3hsl h THR 73 Ca -0.43 -0.05 -0.71 0.00 -0.55 0.00 0.00 66.41 64.67 3hsl h THR 73 Cb 1.21 0.85 -0.21 0.00 -1.73 0.00 0.00 68.15 68.28 3hsl h THR 73 CO 0.72 0.03 -0.08 -1.83 -0.25 0.00 0.00 175.52 174.11 3hsl s GLU 74 N -6.18 3.05 0.23 4.72 -1.05 -1.26 -5.06 118.70 113.15 3hsl s GLU 74 Ca -0.13 -1.23 0.01 0.00 -0.15 0.00 0.00 54.97 53.47 3hsl s GLU 74 Cb 0.08 -4.18 -0.00 0.00 -0.44 0.00 0.00 34.13 29.59 3hsl s GLU 74 CO 0.68 -1.26 0.04 0.41 0.95 0.00 0.00 175.26 176.09 3hsl n GLY 75 N 5.22 3.75 4.76 -3.83 0.00 -1.26 -4.88 105.19 108.94 3hsl n GLY 75 Ca -0.10 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.78 3hsl n GLY 75 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hsl n SER 76 N -1.52 0.00 -0.98 1.61 3.41 -1.26 -4.83 113.62 110.05 3hsl n SER 76 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 3hsl n SER 76 Cb 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 3hsl n SER 76 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hsl n GLY 77 N 0.00 1.05 3.98 5.00 0.00 -1.26 -4.81 105.19 109.15 3hsl n GLY 77 Ca 0.00 -1.90 -0.25 0.00 0.00 0.00 0.00 46.02 43.87 3hsl n GLY 77 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hsl s ASP 78 N -1.00 4.09 0.01 1.61 1.11 -1.26 -2.47 116.67 118.75 3hsl s ASP 78 Ca 0.00 -0.30 -0.01 0.00 0.18 0.00 0.00 52.55 52.42 3hsl s ASP 78 Cb 0.00 0.00 -0.01 0.00 1.07 0.00 0.00 42.92 43.98 3hsl s ASP 78 CO 0.00 -2.05 0.01 -0.69 1.18 0.00 0.00 175.17 173.63 3hsl s VAL 79 N -3.28 0.08 -0.33 -1.27 1.01 0.87 -4.71 120.40 112.77 3hsl s VAL 79 Ca 0.68 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 62.10 3hsl s VAL 79 Cb -0.05 -0.23 0.19 0.00 0.00 0.00 0.00 36.38 36.29 3hsl s VAL 79 CO 0.46 -0.34 0.57 -0.55 0.00 0.00 0.00 175.10 175.24 3hsl s SER 80 N -1.03 -1.29 -0.17 3.32 0.15 -1.24 -1.36 113.70 112.08 3hsl s SER 80 Ca -0.11 -0.20 0.01 0.00 0.70 0.00 0.00 55.95 56.35 3hsl s SER 80 Cb -0.07 1.87 0.01 0.00 -1.71 0.00 0.00 66.02 66.12 3hsl s SER 80 CO -0.00 -0.27 -0.18 -0.36 1.20 0.00 0.00 173.24 173.62 3hsl s PHE 81 N 2.48 2.76 -0.22 3.44 0.08 0.32 -4.99 117.98 121.86 3hsl s PHE 81 Ca 0.12 -1.38 -0.00 0.00 0.12 0.00 0.00 56.93 55.79 3hsl s PHE 81 Cb -0.09 -1.90 0.06 0.00 -0.57 0.00 0.00 43.02 40.53 3hsl s PHE 81 CO -0.21 -0.66 -0.02 0.45 -0.10 0.00 0.00 175.22 174.69 3hsl s SER 82 N 1.07 3.55 0.23 1.36 0.15 -1.26 -1.21 113.70 117.58 3hsl s SER 82 Ca -0.01 -1.08 0.03 0.00 0.70 0.00 0.00 55.95 55.58 3hsl s SER 82 Cb -0.14 -0.98 -0.05 0.00 -1.71 0.00 0.00 66.02 63.14 3hsl s SER 82 CO -0.06 -0.27 0.03 0.72 1.20 0.00 0.00 173.24 174.86 3hsl s PHE 83 N 1.55 1.49 0.20 3.44 -0.12 -0.43 -0.18 117.98 123.93 3hsl s PHE 83 Ca -0.04 -1.01 -0.28 0.00 -0.05 0.00 0.00 56.93 55.55 3hsl s PHE 83 Cb -0.18 -0.87 -0.08 0.00 -0.63 0.00 0.00 43.02 41.26 3hsl s PHE 83 CO -0.07 -0.16 0.88 -0.98 -0.05 0.00 0.00 175.22 174.84 3hsl s ARG 84 N -3.92 4.74 0.48 1.99 1.70 -1.26 0.12 118.95 122.80 3hsl s ARG 84 Ca 0.30 1.36 0.28 0.00 -0.47 0.00 0.00 55.73 57.20 3hsl s ARG 84 Cb 0.06 -3.28 0.93 0.00 -0.57 0.00 0.00 34.95 32.09 3hsl s ARG 84 CO 0.09 0.51 1.82 -2.95 -1.08 0.00 0.00 175.30 173.69 3hsl h ASN 85 N 4.37 0.00 -3.81 -2.89 -1.07 -1.60 -3.37 115.58 107.20 3hsl h ASN 85 Ca -0.45 0.00 -0.67 0.00 0.07 0.00 0.00 56.30 55.25 3hsl h ASN 85 Cb 1.20 0.00 -0.38 0.00 -2.07 0.00 0.00 38.32 37.07 3hsl h ASN 85 CO 0.68 0.09 -0.62 -0.89 0.07 0.00 0.00 177.43 176.75 3hsl s THR 86 N -3.51 2.76 0.61 6.14 2.01 -1.25 -1.20 115.64 121.19 3hsl s THR 86 Ca 0.03 -2.52 -0.18 0.00 0.31 0.00 0.00 61.69 59.32 3hsl s THR 86 Cb 0.08 -2.94 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 3hsl s THR 86 CO 0.61 -0.69 1.04 -1.20 -0.69 0.00 0.00 174.62 173.69 3hsl n SER 87 N 4.04 1.08 -4.77 3.53 7.64 -1.25 -4.89 113.62 119.00 3hsl n SER 87 Ca 0.03 0.82 -0.38 0.00 1.01 0.00 0.00 58.87 60.34 3hsl n SER 87 Cb 0.40 -1.43 -0.00 0.00 -1.01 0.00 0.00 64.21 62.16 3hsl n SER 87 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3hsl s VAL 88 N -1.48 2.83 0.00 0.44 1.01 -1.26 -2.58 120.40 119.35 3hsl s VAL 88 Ca 0.77 0.68 0.00 0.00 0.00 0.00 0.00 61.98 63.43 3hsl s VAL 88 Cb -0.41 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.59 3hsl s VAL 88 CO 0.46 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3hsl n GLY 89 N 0.61 2.56 3.73 4.51 0.00 -1.26 -4.98 105.19 110.35 3hsl n GLY 89 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 3hsl n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hsl s SER 90 N 0.10 3.55 -0.53 1.61 0.01 -1.07 -4.99 113.70 112.39 3hsl s SER 90 Ca 0.00 1.46 0.07 0.00 1.31 0.00 0.00 55.95 58.79 3hsl s SER 90 Cb 0.00 -2.15 0.28 0.00 0.21 0.00 0.00 66.02 64.36 3hsl s SER 90 CO 0.00 -2.59 0.71 0.61 0.41 0.00 0.00 173.24 172.39 3hsl n GLY 91 N -1.22 4.25 3.34 3.44 0.00 -1.26 -4.87 105.19 108.87 3hsl n GLY 91 Ca 0.07 -2.31 -0.06 0.00 0.00 0.00 0.00 46.02 43.72 3hsl n GLY 91 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hsl s PHE 92 N -2.26 -1.01 -0.28 1.61 5.36 -1.26 -5.12 117.98 115.02 3hsl s PHE 92 Ca 0.40 1.72 0.02 0.00 -0.96 0.00 0.00 56.93 58.11 3hsl s PHE 92 Cb 0.20 0.44 0.07 0.00 -0.34 0.00 0.00 43.02 43.40 3hsl s PHE 92 CO -0.07 -0.58 -0.03 0.99 -1.46 0.00 0.00 175.22 174.08 3hsl s THR 93 N 2.71 1.84 0.09 0.12 2.01 -1.25 -3.88 115.64 117.28 3hsl s THR 93 Ca -0.00 -1.65 -0.20 0.00 0.31 0.00 0.00 61.69 60.15 3hsl s THR 93 Cb -0.12 -2.15 -0.05 0.00 0.01 0.00 0.00 72.50 70.18 3hsl s THR 93 CO -0.15 -0.27 1.34 0.45 -0.69 0.00 0.00 174.62 175.29 3hsl h HIS 94 N 7.83 -1.14 -0.24 4.92 -0.00 -1.50 0.01 115.15 125.03 3hsl h HIS 94 Ca -0.14 0.07 0.05 0.00 -0.00 0.00 0.00 60.37 60.35 3hsl h HIS 94 Cb 1.04 0.56 -0.01 0.00 -0.00 0.00 0.00 27.41 29.00 3hsl h HIS 94 CO 0.51 -0.26 0.17 1.79 -0.00 0.00 0.00 177.93 180.14 3hsl h THR 95 N -0.09 0.94 -0.45 2.45 1.35 -1.96 0.39 112.91 115.53 3hsl h THR 95 Ca 0.08 -0.04 -0.03 0.00 -0.55 0.00 0.00 66.41 65.88 3hsl h THR 95 Cb 0.30 0.82 -0.02 0.00 -1.73 0.00 0.00 68.15 67.52 3hsl h THR 95 CO -0.50 0.02 0.18 -0.09 -0.25 0.00 0.00 175.52 174.88 3hsl h ARG 96 N 0.11 0.68 0.04 4.72 2.43 -1.41 -1.60 114.38 119.34 3hsl h ARG 96 Ca 0.11 -0.12 -0.23 0.00 -0.81 0.00 0.00 59.98 58.92 3hsl h ARG 96 Cb 0.29 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3hsl h ARG 96 CO -0.01 0.61 -1.10 0.93 -1.51 0.00 0.00 179.97 178.89 3hsl h GLU 97 N 0.59 0.08 -0.13 0.20 4.39 -0.60 -2.45 114.58 116.66 3hsl h GLU 97 Ca 0.15 -0.13 -0.08 0.00 0.34 0.00 0.00 59.36 59.64 3hsl h GLU 97 Cb 0.19 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3hsl h GLU 97 CO -0.01 1.04 -0.29 -0.07 -1.16 0.00 0.00 179.01 178.52 3hsl h LEU 98 N 0.02 0.25 -2.00 1.33 3.38 -0.11 -2.80 115.31 115.39 3hsl h LEU 98 Ca -0.06 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3hsl h LEU 98 Cb 1.84 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.52 3hsl h LEU 98 CO 0.15 0.55 0.00 0.49 0.09 0.00 0.00 178.44 179.71 3hsl n PHE 99 N -4.12 0.45 -1.62 1.13 3.72 -0.61 -4.91 117.46 111.48 3hsl n PHE 99 Ca -0.01 -0.22 -0.41 0.00 -0.05 0.00 0.00 57.45 56.76 3hsl n PHE 99 Cb 0.39 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.95 3hsl n PHE 99 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hsl n GLY 100 N 1.41 -0.10 0.09 1.37 0.00 -0.92 -4.91 105.19 102.12 3hsl n GLY 100 Ca 0.19 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 46.20 3hsl n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hsl h ALA 101 N 1.52 0.11 -0.09 4.61 0.00 -1.91 -3.18 119.26 120.31 3hsl h ALA 101 Ca -0.45 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.14 3hsl h ALA 101 Cb 1.33 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 3hsl h ALA 101 CO 0.57 -0.10 0.06 -1.71 0.00 0.00 0.00 179.25 178.06 3hsl n ASN 102 N -4.73 2.99 -4.71 0.00 2.85 -1.26 -4.85 115.26 105.56 3hsl n ASN 102 Ca -0.07 -2.14 -0.38 0.00 -0.11 0.00 0.00 54.58 51.88 3hsl n ASN 102 Cb 0.29 -0.53 -0.06 0.00 1.24 0.00 0.00 39.78 40.71 3hsl n ASN 102 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3hsl s VAL 103 N -0.34 5.19 -0.18 3.44 1.01 -1.20 0.15 120.40 128.47 3hsl s VAL 103 Ca 0.05 0.87 -0.11 0.00 0.00 0.00 0.00 61.98 62.78 3hsl s VAL 103 Cb 0.04 -3.78 -0.21 0.00 0.00 0.00 0.00 36.38 32.43 3hsl s VAL 103 CO 0.01 0.30 0.17 -0.11 0.00 0.00 0.00 175.10 175.47 3hsl n LEU 104 N 3.96 2.35 -3.52 3.92 7.94 0.17 -4.81 117.00 127.01 3hsl n LEU 104 Ca -0.07 0.25 -0.12 0.00 -1.11 0.00 0.00 56.01 54.96 3hsl n LEU 104 Cb 0.51 -1.02 -0.03 0.00 0.53 0.00 0.00 43.42 43.41 3hsl n LEU 104 CO 0.42 0.64 0.29 -1.81 -1.11 0.00 0.00 177.39 175.82 3hsl s ASP 105 N -6.97 -0.42 -0.04 1.96 1.01 -1.01 -4.97 116.67 106.23 3hsl s ASP 105 Ca -0.28 -0.09 -0.26 0.00 0.71 0.00 0.00 52.55 52.64 3hsl s ASP 105 Cb 0.07 0.54 0.05 0.00 1.01 0.00 0.00 42.92 44.60 3hsl s ASP 105 CO 0.66 -0.89 0.56 0.00 0.21 0.00 0.00 175.17 175.72 3hsl s ALA 106 N -3.57 -1.45 0.03 5.23 0.00 -1.26 -1.20 121.76 119.54 3hsl s ALA 106 Ca 0.01 1.02 -0.15 0.00 0.00 0.00 0.00 51.96 52.84 3hsl s ALA 106 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 23.12 23.15 3hsl s ALA 106 CO -0.11 -0.33 0.32 0.20 0.00 0.00 0.00 175.76 175.84 3hsl s GLY 107 N -1.20 -0.15 -0.06 0.00 0.00 -0.57 -0.83 107.32 104.50 3hsl s GLY 107 Ca -0.12 0.12 0.01 0.00 0.00 0.00 0.00 44.72 44.74 3hsl s GLY 107 CO 0.08 -0.10 -0.08 -0.42 0.00 0.00 0.00 173.10 172.58 3hsl s ILE 108 N -2.30 0.82 0.19 0.90 1.01 0.11 -1.01 121.20 120.92 3hsl s ILE 108 Ca -0.07 -0.27 0.11 0.00 0.00 0.00 0.00 60.65 60.42 3hsl s ILE 108 Cb -0.02 -0.80 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 3hsl s ILE 108 CO -0.02 0.29 -0.23 0.00 0.00 0.00 0.00 174.94 174.99 3hsl s ALA 109 N 0.94 2.43 0.01 9.38 0.00 0.17 -0.30 121.76 134.39 3hsl s ALA 109 Ca -0.10 -1.62 0.04 0.00 0.00 0.00 0.00 51.96 50.28 3hsl s ALA 109 Cb -0.15 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 3hsl s ALA 109 CO 0.01 0.38 -0.12 -0.06 0.00 0.00 0.00 175.76 175.97 3hsl s PHE 110 N -1.77 1.03 0.02 0.00 0.08 0.24 -0.79 117.98 116.79 3hsl s PHE 110 Ca 0.20 -0.27 -0.28 0.00 0.12 0.00 0.00 56.93 56.70 3hsl s PHE 110 Cb -0.07 -0.64 0.10 0.00 -0.57 0.00 0.00 43.02 41.84 3hsl s PHE 110 CO 0.09 -0.00 0.86 1.52 -0.10 0.00 0.00 175.22 177.59 3hsl s TYR 111 N -0.56 -0.36 0.00 0.36 -0.85 -0.96 -2.04 117.35 112.94 3hsl s TYR 111 Ca 0.02 0.21 0.00 0.00 -0.52 0.00 0.00 57.07 56.78 3hsl s TYR 111 Cb -0.06 0.55 0.00 0.00 0.38 0.00 0.00 41.96 42.83 3hsl s TYR 111 CO 0.00 -0.60 0.00 0.54 -1.52 0.00 0.00 175.55 173.98 3hsl n ARG 112 N -0.27 0.00 0.00 -3.49 5.12 -1.08 -1.88 116.66 115.06 3hsl n ARG 112 Ca -0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.82 3hsl n ARG 112 Cb 0.62 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.92 3hsl n ARG 112 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 3hsl n PRO 123 N 0.00 0.40 0.13 5.56 -0.02 -1.26 -3.59 135.00 136.21 3hsl n PRO 123 Ca 0.00 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.60 3hsl n PRO 123 Cb 0.00 -1.15 0.07 0.00 -0.02 0.00 0.00 33.50 32.39 3hsl n PRO 123 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 3hsl h GLN 124 N 0.46 0.00 -6.31 -0.52 3.07 -1.85 -3.41 115.11 106.54 3hsl h GLN 124 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 58.65 58.07 3hsl h GLN 124 Cb 0.15 0.00 -0.17 0.00 0.08 0.00 0.00 27.48 27.55 3hsl h GLN 124 CO 0.00 0.00 -0.70 -0.06 0.09 0.00 0.00 178.83 178.16 3hsl s PHE 125 N -3.30 2.88 -0.07 0.06 0.08 -0.79 0.94 117.98 117.79 3hsl s PHE 125 Ca 0.02 -0.05 0.03 0.00 0.12 0.00 0.00 56.93 57.06 3hsl s PHE 125 Cb 0.09 -1.59 0.01 0.00 -0.57 0.00 0.00 43.02 40.95 3hsl s PHE 125 CO 0.75 0.38 -0.17 0.08 -0.10 0.00 0.00 175.22 176.16 3hsl s VAL 126 N -1.03 1.50 -0.10 -0.44 1.01 0.20 -2.27 120.40 119.27 3hsl s VAL 126 Ca 0.18 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.49 3hsl s VAL 126 Cb -0.11 -1.32 -0.00 0.00 0.00 0.00 0.00 36.38 34.95 3hsl s VAL 126 CO 0.09 0.43 -0.24 -0.13 0.00 0.00 0.00 175.10 175.25 3hsl s ARG 127 N 0.41 3.03 -0.10 2.72 0.52 0.03 -0.87 118.95 124.70 3hsl s ARG 127 Ca -0.13 -0.88 0.04 0.00 -0.52 0.00 0.00 55.73 54.23 3hsl s ARG 127 Cb -0.16 -2.29 0.00 0.00 0.52 0.00 0.00 34.95 33.03 3hsl s ARG 127 CO 0.05 0.18 -0.22 0.99 0.02 0.00 0.00 175.30 176.32 3hsl s THR 128 N 0.33 1.94 -0.16 0.02 2.01 -0.69 0.42 115.64 119.51 3hsl s THR 128 Ca -0.19 -0.94 -0.00 0.00 0.31 0.00 0.00 61.69 60.87 3hsl s THR 128 Cb -0.18 -1.69 -0.00 0.00 0.01 0.00 0.00 72.50 70.64 3hsl s THR 128 CO 0.09 0.53 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.52 3hsl s THR 129 N 0.44 2.77 -0.05 -0.82 2.01 -0.18 -1.79 115.64 118.02 3hsl s THR 129 Ca -0.17 -0.73 0.05 0.00 0.31 0.00 0.00 61.69 61.15 3hsl s THR 129 Cb -0.17 -2.18 -0.02 0.00 0.01 0.00 0.00 72.50 70.14 3hsl s THR 129 CO 0.07 0.51 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.68 3hsl s ILE 130 N 0.83 2.56 -0.16 1.82 -1.09 -0.54 -1.52 121.20 123.12 3hsl s ILE 130 Ca -0.04 -0.90 0.00 0.00 -2.23 0.00 0.00 60.65 57.48 3hsl s ILE 130 Cb -0.15 -1.97 0.02 0.00 -1.58 0.00 0.00 42.46 38.78 3hsl s ILE 130 CO -0.00 0.58 -0.15 -0.44 -1.23 0.00 0.00 174.94 173.69 3hsl s SER 131 N -0.42 2.80 0.74 3.58 0.01 -0.34 -1.64 113.70 118.42 3hsl s SER 131 Ca 0.04 -0.54 -0.08 0.00 1.31 0.00 0.00 55.95 56.69 3hsl s SER 131 Cb -0.12 -1.23 0.07 0.00 0.21 0.00 0.00 66.02 64.95 3hsl s SER 131 CO 0.02 -0.05 1.06 -0.31 0.41 0.00 0.00 173.24 174.36 3hsl s TYR 132 N 1.45 2.80 0.05 2.43 2.02 0.06 0.44 117.35 126.60 3hsl s TYR 132 Ca 0.05 0.46 -0.12 0.00 -0.37 0.00 0.00 57.07 57.09 3hsl s TYR 132 Cb -0.13 -3.29 -0.03 0.00 -0.40 0.00 0.00 41.96 38.11 3hsl s TYR 132 CO -0.11 -1.55 1.20 0.78 -1.57 0.00 0.00 175.55 174.30 3hsl h GLY 133 N -0.73 -1.78 -6.25 0.71 0.00 0.11 -3.34 103.07 91.80 3hsl h GLY 133 Ca -0.44 0.89 -0.62 0.00 0.00 0.00 0.00 47.33 47.16 3hsl h GLY 133 CO 0.59 -0.57 1.25 2.09 0.00 0.00 0.00 176.54 179.91 3hsl n ASP 134 N -3.74 3.15 -1.92 0.19 5.75 -1.26 -4.60 116.55 114.13 3hsl n ASP 134 Ca -0.01 0.70 0.00 0.00 -0.01 0.00 0.00 54.79 55.47 3hsl n ASP 134 Cb 0.11 -1.39 0.00 0.00 -1.03 0.00 0.00 41.12 38.82 3hsl n ASP 134 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3hsl n ASN 135 N 8.38 0.00 0.00 -1.12 4.05 -1.25 -2.52 115.26 122.80 3hsl n ASN 135 Ca 0.28 -0.85 0.00 0.00 0.45 0.00 0.00 54.58 54.46 3hsl n ASN 135 Cb 0.31 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.32 3hsl n ASN 135 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3hsl n LEU 136 N 1.84 0.73 -4.74 1.20 4.77 -1.26 -5.06 117.00 114.48 3hsl n LEU 136 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.58 3hsl n LEU 136 Cb 0.00 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.04 3hsl n LEU 136 CO 0.00 0.12 0.55 -0.89 -1.33 0.00 0.00 177.39 175.84 3hsl s THR 137 N -1.33 4.61 0.16 -5.08 2.01 -1.05 -4.98 115.64 109.97 3hsl s THR 137 Ca 0.00 1.82 -0.05 0.00 0.31 0.00 0.00 61.69 63.77 3hsl s THR 137 Cb 0.00 -4.20 -0.02 0.00 0.01 0.00 0.00 72.50 68.28 3hsl s THR 137 CO 0.00 0.35 0.18 -0.94 -0.69 0.00 0.00 174.62 173.52 3hsl s SER 138 N -0.09 0.16 -0.01 3.53 1.04 -1.26 -0.76 113.70 116.30 3hsl s SER 138 Ca 0.42 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.79 3hsl s SER 138 Cb -0.22 0.38 0.01 0.00 0.10 0.00 0.00 66.02 66.29 3hsl s SER 138 CO 0.26 -0.83 0.01 -0.89 0.98 0.00 0.00 173.24 172.77 3hsl s THR 139 N -4.02 -0.01 -0.27 2.02 2.01 -0.65 -5.00 115.64 109.71 3hsl s THR 139 Ca 0.22 0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.31 3hsl s THR 139 Cb 0.05 -0.05 0.08 0.00 0.01 0.00 0.00 72.50 72.59 3hsl s THR 139 CO 0.02 0.04 0.02 -0.69 -0.69 0.00 0.00 174.62 173.32 3hsl s VAL 140 N 0.45 1.38 -0.23 3.82 1.01 -1.26 -1.46 120.40 124.11 3hsl s VAL 140 Ca -0.04 -1.41 -0.07 0.00 0.00 0.00 0.00 61.98 60.46 3hsl s VAL 140 Cb -0.06 -1.85 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 3hsl s VAL 140 CO -0.01 -0.36 0.07 -2.28 0.00 0.00 0.00 175.10 172.51 3hsl s HIS 141 N 1.41 3.11 -0.03 5.22 2.46 -0.74 -4.96 115.29 121.77 3hsl s HIS 141 Ca 0.02 -0.30 -0.00 0.00 0.47 0.00 0.00 55.06 55.25 3hsl s HIS 141 Cb -0.18 -2.20 -0.04 0.00 -0.13 0.00 0.00 32.58 30.03 3hsl s HIS 141 CO -0.12 -0.24 0.04 0.15 -2.47 0.00 0.00 174.74 172.09 3hsl s LYS 142 N 1.33 2.96 0.24 2.88 1.02 -1.26 -1.70 119.74 125.21 3hsl s LYS 142 Ca 0.05 -0.49 -0.07 0.00 0.02 0.00 0.00 55.97 55.48 3hsl s LYS 142 Cb -0.15 -2.79 0.03 0.00 -0.52 0.00 0.00 37.83 34.40 3hsl s LYS 142 CO 0.04 0.66 0.44 0.45 -0.92 0.00 0.00 175.35 176.02 3hsl n SER 143 N 1.55 -1.29 -4.84 2.83 2.88 -0.05 -4.97 113.62 109.74 3hsl n SER 143 Ca -0.15 -2.02 -0.37 0.00 -1.33 0.00 0.00 58.87 55.00 3hsl n SER 143 Cb 0.53 2.18 -0.07 0.00 -0.75 0.00 0.00 64.21 66.10 3hsl n SER 143 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3hsl s VAL 144 N -2.50 5.31 -0.65 2.46 1.01 -1.26 -0.63 120.40 124.15 3hsl s VAL 144 Ca 0.12 0.14 -0.23 0.00 0.00 0.00 0.00 61.98 62.00 3hsl s VAL 144 Cb -0.02 -3.31 0.06 0.00 0.00 0.00 0.00 36.38 33.11 3hsl s VAL 144 CO 0.09 0.60 0.97 -0.69 0.00 0.00 0.00 175.10 176.07 3hsl s VAL 145 N -0.89 4.31 -0.00 2.92 1.01 0.27 -4.66 120.40 123.36 3hsl s VAL 145 Ca 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.88 3hsl s VAL 145 Cb -0.12 -4.67 0.01 0.00 0.00 0.00 0.00 36.38 31.60 3hsl s VAL 145 CO 0.03 -1.42 0.79 -0.90 0.00 0.00 0.00 175.10 173.60 3hsl n ASP 146 N 7.73 1.11 -2.35 3.32 5.75 -1.20 -4.75 116.55 126.16 3hsl n ASP 146 Ca -0.03 -1.59 -0.32 0.00 -0.01 0.00 0.00 54.79 52.84 3hsl n ASP 146 Cb 0.46 -0.01 0.05 0.00 -1.03 0.00 0.00 41.12 40.58 3hsl n ASP 146 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hsl n GLN 147 N -0.30 3.06 0.33 0.11 1.13 0.75 -4.76 117.38 117.71 3hsl n GLN 147 Ca 0.00 -3.73 0.21 0.00 -1.94 0.00 0.00 57.00 51.54 3hsl n GLN 147 Cb 0.37 -2.28 1.15 0.00 0.11 0.00 0.00 30.24 29.59 3hsl n GLN 147 CO 0.00 0.00 0.00 1.57 -1.44 0.00 0.00 177.06 177.19 3hsl h LYS 148 N 2.29 0.00 0.00 -1.09 2.10 -1.88 -2.54 116.57 115.44 3hsl h LYS 148 Ca 0.50 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 59.06 3hsl h LYS 148 Cb 0.91 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.23 3hsl h LYS 148 CO 1.24 0.00 -0.43 0.78 -2.00 0.00 0.00 179.45 179.04 3hsl h GLY 149 N 0.00 0.00 -6.89 0.07 0.00 -1.93 -3.41 103.07 90.90 3hsl h GLY 149 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 3hsl h GLY 149 CO -0.00 0.00 0.61 -0.42 0.00 0.00 0.00 176.54 176.73 3hsl s ILE 150 N -3.91 4.46 0.46 2.60 -1.09 -0.96 -5.03 121.20 117.72 3hsl s ILE 150 Ca -0.02 0.78 -0.05 0.00 -2.23 0.00 0.00 60.65 59.13 3hsl s ILE 150 Cb 0.13 -4.44 -0.04 0.00 -1.58 0.00 0.00 42.46 36.53 3hsl s ILE 150 CO 0.72 -0.84 0.76 -0.76 -1.23 0.00 0.00 174.94 173.59 3hsl s LEU 151 N 3.80 3.68 -0.73 2.97 1.43 -1.26 -4.93 118.68 123.63 3hsl s LEU 151 Ca 0.38 0.90 -0.24 0.00 -1.03 0.00 0.00 54.13 54.14 3hsl s LEU 151 Cb -0.10 -3.84 0.06 0.00 0.03 0.00 0.00 46.19 42.34 3hsl s LEU 151 CO 0.27 -0.53 1.11 -2.84 0.23 0.00 0.00 176.35 174.58 3hsl s PRO 152 N -4.61 3.21 -0.24 1.29 0.02 -1.26 -4.81 135.00 128.59 3hsl s PRO 152 Ca 0.47 -0.74 0.10 0.00 0.02 0.00 0.00 61.00 60.85 3hsl s PRO 152 Cb -0.10 -4.35 0.44 0.00 0.02 0.00 0.00 34.50 30.51 3hsl s PRO 152 CO 0.43 -1.95 1.24 1.97 -0.33 0.00 0.00 177.00 178.36 3hsl n PHE 153 N 8.23 0.85 -0.02 6.54 1.16 -1.26 -4.89 117.46 128.08 3hsl n PHE 153 Ca 0.03 -1.72 -0.02 0.00 -1.87 0.00 0.00 57.45 53.87 3hsl n PHE 153 Cb 0.47 -0.31 -0.01 0.00 -1.61 0.00 0.00 39.48 38.02 3hsl n PHE 153 CO 0.00 0.00 0.00 0.72 -1.87 0.00 0.00 176.76 175.61 3hsl n HIS 154 N -1.01 0.00 -0.48 2.97 8.25 -1.26 -4.75 115.22 118.93 3hsl n HIS 154 Ca 0.27 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.59 3hsl n HIS 154 Cb 0.79 -0.13 -0.01 0.00 1.12 0.00 0.00 29.99 31.76 3hsl n HIS 154 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3hsl n ASP 155 N -3.13 3.17 -1.16 0.41 10.43 -1.26 -4.70 116.55 120.30 3hsl n ASP 155 Ca -0.04 -2.21 -0.01 0.00 2.57 0.00 0.00 54.79 55.10 3hsl n ASP 155 Cb 0.14 -0.89 -0.01 0.00 1.84 0.00 0.00 41.12 42.21 3hsl n ASP 155 CO 0.00 0.00 0.00 -2.11 -1.07 0.00 0.00 177.20 174.02 3hsl n ARG 156 N 4.54 0.03 -3.97 -1.24 1.85 -1.26 -4.97 116.66 111.64 3hsl n ARG 156 Ca 0.29 -0.24 -0.29 0.00 -1.00 0.00 0.00 57.85 56.61 3hsl n ARG 156 Cb 0.09 0.20 -0.00 0.00 -1.05 0.00 0.00 32.46 31.70 3hsl n ARG 156 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3hsl n MET 157 N -0.05 -4.11 0.22 2.89 0.00 -1.26 -4.90 117.12 109.91 3hsl n MET 157 Ca 0.01 0.48 0.05 0.00 0.00 0.00 0.00 57.70 58.23 3hsl n MET 157 Cb 0.04 -5.03 0.48 0.00 0.00 0.00 0.00 33.22 28.71 3hsl n MET 157 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 3hsl h GLU 158 N -1.82 0.00 0.00 3.17 5.08 -1.96 -3.45 114.58 115.60 3hsl h GLU 158 Ca -0.60 -0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.56 3hsl h GLU 158 Cb 1.37 -0.00 0.07 0.00 0.50 0.00 0.00 28.75 30.69 3hsl h GLU 158 CO 0.67 0.22 0.16 0.00 -1.00 0.00 0.00 179.01 179.05 3hsl n ALA 159 N -2.50 -0.51 0.00 3.43 0.00 -1.26 -4.60 120.51 115.07 3hsl n ALA 159 Ca -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.60 3hsl n ALA 159 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 3hsl n ALA 159 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hsl n GLY 160 N 1.16 2.07 5.89 0.00 0.00 -1.26 -4.98 105.19 108.07 3hsl n GLY 160 Ca 0.08 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3hsl n GLY 160 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hsl n GLY 161 N 0.00 2.04 0.00 -0.02 0.00 -1.26 -4.77 105.19 101.19 3hsl n GLY 161 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3hsl n GLY 161 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hsl n ARG 162 N 0.00 0.00 -1.08 1.61 1.74 -1.26 -4.80 116.66 112.87 3hsl n ARG 162 Ca 0.00 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.73 3hsl n ARG 162 Cb 0.00 -0.65 0.02 0.00 -1.02 0.00 0.00 32.46 30.81 3hsl n ARG 162 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3hsl n THR 163 N -0.27 0.00 -2.87 0.55 -1.04 -1.26 -4.50 114.28 104.89 3hsl n THR 163 Ca 0.00 -0.46 -0.42 0.00 -2.04 0.00 0.00 64.05 61.12 3hsl n THR 163 Cb 0.08 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.55 3hsl n THR 163 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3hsl s THR 164 N -1.85 4.67 0.04 12.58 2.01 -1.26 -4.65 115.64 127.19 3hsl s THR 164 Ca 0.47 1.15 0.00 0.00 0.31 0.00 0.00 61.69 63.62 3hsl s THR 164 Cb -0.36 -4.26 -0.03 0.00 0.01 0.00 0.00 72.50 67.86 3hsl s THR 164 CO 0.67 -0.43 -0.04 0.00 -0.69 0.00 0.00 174.62 174.12 3hsl s ARG 165 N 3.25 0.48 -0.02 4.92 1.70 -0.25 -0.59 118.95 128.44 3hsl s ARG 165 Ca 0.35 -0.86 0.02 0.00 -0.47 0.00 0.00 55.73 54.77 3hsl s ARG 165 Cb -0.13 0.03 0.00 0.00 -0.57 0.00 0.00 34.95 34.28 3hsl s ARG 165 CO 0.16 -0.04 -0.06 -1.17 -1.08 0.00 0.00 175.30 173.11 3hsl s LEU 166 N -2.01 1.81 -0.21 -1.89 2.96 0.29 -0.62 118.68 119.01 3hsl s LEU 166 Ca -0.06 -0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 53.72 3hsl s LEU 166 Cb -0.04 -0.36 0.06 0.00 0.50 0.00 0.00 46.19 46.35 3hsl s LEU 166 CO -0.03 0.04 -0.02 -0.22 -1.32 0.00 0.00 176.35 174.80 3hsl s LEU 167 N 0.15 1.95 0.05 -0.68 2.96 0.17 -1.16 118.68 122.12 3hsl s LEU 167 Ca -0.02 -1.01 -0.03 0.00 -0.22 0.00 0.00 54.13 52.85 3hsl s LEU 167 Cb -0.06 -0.93 -0.05 0.00 0.50 0.00 0.00 46.19 45.66 3hsl s LEU 167 CO -0.00 -0.26 0.26 -0.76 -1.32 0.00 0.00 176.35 174.26 3hsl s LEU 168 N 1.60 4.35 1.02 -0.68 1.02 -1.26 -1.35 118.68 123.37 3hsl s LEU 168 Ca -0.04 0.44 -0.15 0.00 0.02 0.00 0.00 54.13 54.40 3hsl s LEU 168 Cb -0.18 -2.88 0.20 0.00 0.02 0.00 0.00 46.19 43.35 3hsl s LEU 168 CO -0.07 0.19 1.16 0.00 0.02 0.00 0.00 176.35 177.65 3hsl h GLY 170 N -1.90 -0.74 0.15 0.00 0.00 -1.87 0.26 103.07 98.98 3hsl h GLY 170 Ca -0.48 0.42 0.04 0.00 0.00 0.00 0.00 47.33 47.30 3hsl h GLY 170 CO 0.49 -0.27 -0.38 0.07 0.00 0.00 0.00 176.54 176.44 3hsl h LYS 171 N -0.64 -0.49 -0.21 4.80 -0.00 -1.93 0.16 116.57 118.25 3hsl h LYS 171 Ca 0.01 0.03 -0.01 0.00 -0.00 0.00 0.00 60.65 60.69 3hsl h LYS 171 Cb 0.63 0.11 -0.01 0.00 -0.00 0.00 0.00 32.23 32.96 3hsl h LYS 171 CO -0.16 -0.33 0.10 1.15 -0.00 0.00 0.00 179.45 180.22 3hsl h THR 172 N -0.51 1.13 -0.99 0.07 2.02 -1.92 -2.14 112.91 110.57 3hsl h THR 172 Ca 0.06 -0.37 0.08 0.00 0.77 0.00 0.00 66.41 66.96 3hsl h THR 172 Cb 0.62 0.99 -0.07 0.00 -1.74 0.00 0.00 68.15 67.94 3hsl h THR 172 CO -0.33 0.13 0.63 1.23 0.37 0.00 0.00 175.52 177.55 3hsl h GLY 173 N 0.22 1.54 1.42 2.16 0.00 -0.11 0.13 103.07 108.44 3hsl h GLY 173 Ca 0.07 -0.45 -0.20 0.00 0.00 0.00 0.00 47.33 46.75 3hsl h GLY 173 CO -0.01 0.27 -0.76 0.00 0.00 0.00 0.00 176.54 176.04 3hsl h ALA 174 N 1.48 0.47 -0.45 3.60 0.00 -0.61 -2.49 119.26 121.25 3hsl h ALA 174 Ca 0.45 -0.61 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 3hsl h ALA 174 Cb 0.28 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3hsl h ALA 174 CO -0.21 0.73 -0.18 0.35 0.00 0.00 0.00 179.25 179.95 3hsl h PHE 175 N 0.38 0.99 -0.56 0.00 3.57 -0.90 -0.08 116.94 120.34 3hsl h PHE 175 Ca -0.04 -0.22 -0.06 0.00 3.53 0.00 0.00 57.97 61.18 3hsl h PHE 175 Cb 1.36 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.84 3hsl h PHE 175 CO 0.06 0.98 0.11 1.25 -2.23 0.00 0.00 178.31 178.49 3hsl h LEU 176 N 0.78 0.83 -0.08 0.59 5.85 -0.66 -2.09 115.31 120.53 3hsl h LEU 176 Ca 0.11 -0.16 -0.10 0.00 0.84 0.00 0.00 57.88 58.56 3hsl h LEU 176 Cb 0.71 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.53 3hsl h LEU 176 CO 0.05 0.83 -0.35 0.25 -0.34 0.00 0.00 178.44 178.88 3hsl h LEU 177 N 0.84 0.44 -0.69 2.25 6.46 -1.14 -1.13 115.31 122.35 3hsl h LEU 177 Ca 0.18 -0.65 0.09 0.00 -0.12 0.00 0.00 57.88 57.38 3hsl h LEU 177 Cb 0.34 -0.13 -0.07 0.00 -0.73 0.00 0.00 40.66 40.07 3hsl h LEU 177 CO 0.00 1.02 0.33 0.11 -0.62 0.00 0.00 178.44 179.28 3hsl h LYS 178 N -0.10 0.55 -0.21 1.25 1.57 -0.89 -0.95 116.57 117.80 3hsl h LYS 178 Ca -0.02 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3hsl h LYS 178 Cb 1.00 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 3hsl h LYS 178 CO 0.07 0.37 0.06 2.35 -0.57 0.00 0.00 179.45 181.73 3hsl h TRP 179 N 0.57 0.34 0.43 -1.35 7.01 -1.38 -2.57 115.95 119.00 3hsl h TRP 179 Ca 0.34 -0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.30 3hsl h TRP 179 Cb 0.37 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.31 3hsl h TRP 179 CO -0.12 0.43 -0.38 -0.07 -2.79 0.00 0.00 178.44 175.51 3hsl h LEU 180 N 0.15 -1.03 -2.51 0.65 3.38 -0.23 -2.73 115.31 112.99 3hsl h LEU 180 Ca 0.07 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 3hsl h LEU 180 Cb 0.25 0.34 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 3hsl h LEU 180 CO -0.00 -0.54 -0.02 0.08 0.09 0.00 0.00 178.44 178.05 3hsl h ARG 181 N -0.82 0.00 -0.01 1.13 0.11 -1.24 -0.28 114.38 113.28 3hsl h ARG 181 Ca -0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.04 3hsl h ARG 181 Cb 0.72 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.80 3hsl h ARG 181 CO -0.04 0.02 -0.00 0.00 0.10 0.00 0.00 179.97 180.05 3hsl n GLN 182 N -3.25 1.24 -0.01 0.08 10.64 -0.97 -2.70 117.38 122.41 3hsl n GLN 182 Ca -0.02 -0.36 0.10 0.00 -1.83 0.00 0.00 57.00 54.89 3hsl n GLN 182 Cb 0.14 -1.49 -0.15 0.00 -0.86 0.00 0.00 30.24 27.87 3hsl n GLN 182 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 3hsl n GLN 183 N -0.57 0.59 -1.84 2.61 1.13 -0.13 -4.98 117.38 114.19 3hsl n GLN 183 Ca 0.22 -0.16 -0.39 0.00 -1.94 0.00 0.00 57.00 54.73 3hsl n GLN 183 Cb 0.20 -1.49 0.02 0.00 0.11 0.00 0.00 30.24 29.09 3hsl n GLN 183 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 3hsl s LYS 184 N -3.36 3.47 0.00 -1.09 2.20 -1.10 -5.04 119.74 114.83 3hsl s LYS 184 Ca -0.05 2.28 0.00 0.00 -0.36 0.00 0.00 55.97 57.83 3hsl s LYS 184 Cb 0.14 -2.47 0.00 0.00 -1.51 0.00 0.00 37.83 33.98 3hsl s LYS 184 CO 0.86 -0.94 0.00 0.25 -0.36 0.00 0.00 175.35 175.16 3hsl n THR 185 N -0.56 0.00 0.05 3.43 -2.24 -1.26 -5.05 114.28 108.65 3hsl n THR 185 Ca 0.07 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.65 3hsl n THR 185 Cb 0.44 0.00 -0.15 0.00 -2.10 0.00 0.00 70.33 68.52 3hsl n THR 185 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3hsl h LYS 186 N 0.00 0.31 -6.56 -0.78 6.56 -2.03 -3.46 116.57 110.61 3hsl h LYS 186 Ca 0.00 -0.53 -0.52 0.00 -1.06 0.00 0.00 60.65 58.55 3hsl h LYS 186 Cb 0.00 0.19 -0.01 0.00 -0.57 0.00 0.00 32.23 31.84 3hsl h LYS 186 CO 0.00 1.25 -0.07 -2.00 -2.06 0.00 0.00 179.45 176.57 3hsl s GLU 187 N -2.45 3.73 0.56 3.15 2.56 -1.26 -5.09 118.70 119.90 3hsl s GLU 187 Ca -0.13 0.21 -0.13 0.00 0.00 0.00 0.00 54.97 54.91 3hsl s GLU 187 Cb 0.01 -2.58 -0.06 0.00 2.00 0.00 0.00 34.13 33.50 3hsl s GLU 187 CO 0.84 0.19 0.99 0.34 -0.56 0.00 0.00 175.26 177.06 3hsl s ASP 188 N -2.90 6.42 0.22 -1.70 2.15 -1.26 -5.03 116.67 114.56 3hsl s ASP 188 Ca 0.47 1.46 0.02 0.00 0.43 0.00 0.00 52.55 54.92 3hsl s ASP 188 Cb -0.11 -2.47 -0.05 0.00 -0.30 0.00 0.00 42.92 39.99 3hsl s ASP 188 CO 0.27 -0.72 0.05 -1.10 -0.17 0.00 0.00 175.17 173.50 3hsl s GLN 189 N -4.62 1.26 -0.15 4.34 -0.21 -1.26 -5.04 119.66 113.98 3hsl s GLN 189 Ca 0.56 -1.65 -0.08 0.00 0.02 0.00 0.00 55.36 54.22 3hsl s GLN 189 Cb -0.10 -0.27 -0.04 0.00 1.00 0.00 0.00 33.01 33.59 3hsl s GLN 189 CO 0.43 -0.21 0.11 0.95 -2.12 0.00 0.00 175.29 174.45 3hsl s THR 190 N -3.70 5.24 -0.13 -0.19 -4.23 -1.26 -1.80 115.64 109.57 3hsl s THR 190 Ca 0.31 0.12 -0.02 0.00 -1.18 0.00 0.00 61.69 60.91 3hsl s THR 190 Cb 0.07 -3.32 -0.03 0.00 1.34 0.00 0.00 72.50 70.56 3hsl s THR 190 CO 0.09 0.53 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.97 3hsl s VAL 191 N -0.34 3.91 -0.16 2.29 1.01 0.12 -4.65 120.40 122.57 3hsl s VAL 191 Ca 0.11 -0.37 -0.09 0.00 0.00 0.00 0.00 61.98 61.62 3hsl s VAL 191 Cb -0.12 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 3hsl s VAL 191 CO 0.01 0.53 0.15 0.42 0.00 0.00 0.00 175.10 176.22 3hsl s THR 192 N -0.07 5.43 -0.15 3.92 -4.23 0.05 -0.92 115.64 119.67 3hsl s THR 192 Ca 0.02 0.24 0.02 0.00 -1.18 0.00 0.00 61.69 60.79 3hsl s THR 192 Cb -0.13 -3.46 0.01 0.00 1.34 0.00 0.00 72.50 70.25 3hsl s THR 192 CO 0.03 0.51 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.73 3hsl s VAL 193 N -0.19 2.29 0.17 2.29 1.01 0.30 -0.92 120.40 125.35 3hsl s VAL 193 Ca 0.12 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.23 3hsl s VAL 193 Cb -0.12 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 3hsl s VAL 193 CO 0.01 0.54 -0.06 -0.94 0.00 0.00 0.00 175.10 174.65 3hsl s SER 194 N 0.82 1.70 -0.03 3.32 1.04 -0.80 -0.22 113.70 119.53 3hsl s SER 194 Ca -0.06 -1.09 0.01 0.00 0.48 0.00 0.00 55.95 55.28 3hsl s SER 194 Cb -0.15 0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.01 3hsl s SER 194 CO -0.01 -0.42 -0.02 -0.69 0.98 0.00 0.00 173.24 173.07 3hsl s VAL 195 N -3.41 0.35 -0.20 5.02 1.01 0.11 -1.54 120.40 121.73 3hsl s VAL 195 Ca 0.21 -0.03 -0.08 0.00 0.00 0.00 0.00 61.98 62.08 3hsl s VAL 195 Cb 0.04 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 3hsl s VAL 195 CO 0.03 0.18 0.09 -0.55 0.00 0.00 0.00 175.10 174.84 3hsl s SER 196 N 0.88 5.69 0.04 3.32 0.15 0.21 -1.05 113.70 122.94 3hsl s SER 196 Ca -0.10 0.06 -0.10 0.00 0.70 0.00 0.00 55.95 56.51 3hsl s SER 196 Cb -0.13 -1.99 -0.32 0.00 -1.71 0.00 0.00 66.02 61.87 3hsl s SER 196 CO -0.01 0.13 1.01 -0.08 1.20 0.00 0.00 173.24 175.49 3hsl h GLU 197 N 7.05 0.40 0.50 5.44 4.81 -1.88 -3.24 114.58 127.67 3hsl h GLU 197 Ca -0.37 -0.68 -0.01 0.00 -0.13 0.00 0.00 59.36 58.16 3hsl h GLU 197 Cb 1.17 0.25 -0.02 0.00 0.63 0.00 0.00 28.75 30.78 3hsl h GLU 197 CO 0.68 1.32 -0.50 1.15 -0.73 0.00 0.00 179.01 180.92 3hsl h THR 198 N 0.11 0.02 -3.02 0.32 2.02 -1.97 -3.39 112.91 107.00 3hsl h THR 198 Ca -0.22 0.00 -0.61 0.00 0.77 0.00 0.00 66.41 66.35 3hsl h THR 198 Cb 2.08 0.02 -0.05 0.00 -1.74 0.00 0.00 68.15 68.46 3hsl h THR 198 CO 0.23 0.00 -0.25 -0.76 0.37 0.00 0.00 175.52 175.11 3hsl s LEU 199 N -10.12 4.41 -1.26 2.58 1.43 -1.26 -4.97 118.68 109.48 3hsl s LEU 199 Ca -0.18 0.83 -0.13 0.00 -1.03 0.00 0.00 54.13 53.62 3hsl s LEU 199 Cb 0.04 -2.72 0.15 0.00 0.03 0.00 0.00 46.19 43.70 3hsl s LEU 199 CO 0.61 0.26 1.68 -1.20 0.23 0.00 0.00 176.35 177.93 3hsl n SER 200 N 1.40 5.05 -3.94 2.29 7.64 -1.26 -4.35 113.62 120.44 3hsl n SER 200 Ca -0.12 -3.01 -0.15 0.00 1.01 0.00 0.00 58.87 56.60 3hsl n SER 200 Cb 0.53 -1.57 -0.14 0.00 -1.01 0.00 0.00 64.21 62.02 3hsl n SER 200 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3hsl s ILE 201 N 1.58 0.36 -0.12 0.44 1.01 -1.22 -0.53 121.20 122.72 3hsl s ILE 201 Ca 0.43 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.91 3hsl s ILE 201 Cb 0.04 -0.31 -0.01 0.00 0.01 0.00 0.00 42.46 42.19 3hsl s ILE 201 CO 0.01 0.10 -0.18 -0.69 0.00 0.00 0.00 174.94 174.18 3hsl s VAL 202 N -0.07 2.53 -0.02 2.92 1.01 -0.21 -0.62 120.40 125.94 3hsl s VAL 202 Ca 0.01 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.22 3hsl s VAL 202 Cb -0.02 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 3hsl s VAL 202 CO -0.00 0.54 -0.22 0.42 0.00 0.00 0.00 175.10 175.84 3hsl s THR 203 N 0.44 1.71 -0.26 3.92 -4.23 -0.59 -1.60 115.64 115.03 3hsl s THR 203 Ca -0.13 -0.92 -0.08 0.00 -1.18 0.00 0.00 61.69 59.37 3hsl s THR 203 Cb -0.17 -1.42 -0.04 0.00 1.34 0.00 0.00 72.50 72.22 3hsl s THR 203 CO 0.06 0.48 0.11 -0.36 -0.54 0.00 0.00 174.62 174.37 3hsl s PHE 204 N -0.48 3.13 -0.11 3.99 0.08 0.45 -1.91 117.98 123.14 3hsl s PHE 204 Ca 0.08 -0.24 0.02 0.00 0.12 0.00 0.00 56.93 56.91 3hsl s PHE 204 Cb -0.09 -2.27 0.01 0.00 -0.57 0.00 0.00 43.02 40.10 3hsl s PHE 204 CO -0.01 -0.28 -0.18 0.45 -0.10 0.00 0.00 175.22 175.11 3hsl s SER 205 N 1.61 2.59 -0.13 1.36 0.15 -0.10 0.16 113.70 119.33 3hsl s SER 205 Ca 0.06 -0.47 -0.13 0.00 0.70 0.00 0.00 55.95 56.11 3hsl s SER 205 Cb -0.15 -1.18 0.04 0.00 -1.71 0.00 0.00 66.02 63.02 3hsl s SER 205 CO 0.06 0.06 0.38 -0.22 1.20 0.00 0.00 173.24 174.71 3hsl s LEU 206 N 0.77 0.56 0.00 3.45 0.20 -0.58 -0.77 118.68 122.32 3hsl s LEU 206 Ca -0.10 0.72 0.00 0.00 0.69 0.00 0.00 54.13 55.43 3hsl s LEU 206 Cb -0.16 1.31 0.00 0.00 -0.43 0.00 0.00 46.19 46.91 3hsl s LEU 206 CO 0.01 -0.16 0.00 0.61 -0.29 0.00 0.00 176.35 176.53 3hsl n GLY 207 N 2.74 3.73 0.42 7.98 0.00 -1.26 -0.72 105.19 118.09 3hsl n GLY 207 Ca -0.14 0.21 0.07 0.00 0.00 0.00 0.00 46.02 46.17 3hsl n GLY 207 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hsl n GLY 208 N 0.00 4.87 3.20 -0.02 0.00 -1.26 -5.04 105.19 106.93 3hsl n GLY 208 Ca 0.00 -1.21 -0.19 0.00 0.00 0.00 0.00 46.02 44.61 3hsl n GLY 208 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hsl s VAL 209 N -2.97 1.24 0.10 1.61 -7.23 0.11 -5.16 120.40 108.09 3hsl s VAL 209 Ca 0.35 -1.36 0.03 0.00 -1.81 0.00 0.00 61.98 59.19 3hsl s VAL 209 Cb 0.33 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 36.06 3hsl s VAL 209 CO -0.03 -0.19 -0.09 -0.44 -0.31 0.00 0.00 175.10 174.03 3hsl s SER 210 N -1.78 1.38 -0.09 4.85 0.01 -1.26 -1.52 113.70 115.28 3hsl s SER 210 Ca -0.00 -0.90 0.02 0.00 1.31 0.00 0.00 55.95 56.38 3hsl s SER 210 Cb -0.10 0.03 0.01 0.00 0.21 0.00 0.00 66.02 66.18 3hsl s SER 210 CO 0.03 -0.34 -0.15 -0.75 0.41 0.00 0.00 173.24 172.44 3hsl s LYS 211 N -3.23 2.13 -0.17 12.44 2.20 0.12 -4.95 119.74 128.28 3hsl s LYS 211 Ca 0.09 -0.54 -0.07 0.00 -0.36 0.00 0.00 55.97 55.09 3hsl s LYS 211 Cb 0.00 -1.76 -0.04 0.00 -1.51 0.00 0.00 37.83 34.52 3hsl s LYS 211 CO -0.01 -0.00 0.04 0.42 -0.36 0.00 0.00 175.35 175.44 3hsl s ILE 212 N 0.80 4.62 -0.05 5.43 -1.09 -1.26 -0.41 121.20 129.24 3hsl s ILE 212 Ca -0.11 -0.10 0.01 0.00 -2.23 0.00 0.00 60.65 58.22 3hsl s ILE 212 Cb -0.16 -3.07 0.02 0.00 -1.58 0.00 0.00 42.46 37.68 3hsl s ILE 212 CO 0.02 0.48 -0.05 -0.63 -1.23 0.00 0.00 174.94 173.52 3hsl s ILE 213 N 0.28 0.62 0.20 2.92 1.01 -0.63 -5.02 121.20 120.59 3hsl s ILE 213 Ca 0.02 -0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.56 3hsl s ILE 213 Cb -0.13 -0.65 -0.03 0.00 0.01 0.00 0.00 42.46 41.66 3hsl s ILE 213 CO 0.01 0.25 0.29 1.51 0.00 0.00 0.00 174.94 177.00 3hsl s ASP 214 N 1.04 6.13 0.06 3.58 -4.77 -1.26 -1.04 116.67 120.41 3hsl s ASP 214 Ca -0.09 0.04 -0.04 0.00 -3.30 0.00 0.00 52.55 49.16 3hsl s ASP 214 Cb -0.14 -1.77 -0.02 0.00 -1.09 0.00 0.00 42.92 39.89 3hsl s ASP 214 CO -0.00 -0.01 0.06 0.72 0.70 0.00 0.00 175.17 176.64 3hsl s PHE 215 N -1.89 0.35 -0.26 2.11 -0.12 0.31 -4.78 117.98 113.69 3hsl s PHE 215 Ca 0.34 -0.82 -0.19 0.00 -0.05 0.00 0.00 56.93 56.20 3hsl s PHE 215 Cb -0.10 -0.24 -0.02 0.00 -0.63 0.00 0.00 43.02 42.03 3hsl s PHE 215 CO 0.28 -0.43 0.56 -1.59 -0.05 0.00 0.00 175.22 173.99 3hsl s LYS 216 N -3.69 4.06 0.05 1.99 0.00 0.28 -4.69 119.74 117.73 3hsl s LYS 216 Ca 0.04 0.38 -0.25 0.00 0.00 0.00 0.00 55.97 56.15 3hsl s LYS 216 Cb 0.05 -3.66 -0.05 0.00 0.00 0.00 0.00 37.83 34.17 3hsl s LYS 216 CO -0.09 -0.40 0.76 -1.25 0.00 0.00 0.00 175.35 174.37 3hsl s PRO 217 N 2.41 4.49 -0.09 1.78 0.04 -1.25 -1.96 135.00 140.41 3hsl s PRO 217 Ca 0.23 1.06 -0.30 0.00 0.04 0.00 0.00 61.00 62.04 3hsl s PRO 217 Cb -0.15 -3.36 -0.02 0.00 0.04 0.00 0.00 34.50 31.00 3hsl s PRO 217 CO 0.09 0.29 1.09 -1.21 0.04 0.00 0.00 177.00 177.30 3hsl s GLU 218 N -0.07 4.38 0.01 4.56 0.41 -0.91 -4.95 118.70 122.12 3hsl s GLU 218 Ca 0.38 1.51 -0.08 0.00 -0.41 0.00 0.00 54.97 56.38 3hsl s GLU 218 Cb -0.20 -3.56 -0.04 0.00 -1.78 0.00 0.00 34.13 28.55 3hsl s GLU 218 CO 0.23 -0.39 0.87 1.15 -0.49 0.00 0.00 175.26 176.63 3hsl h THR 219 N 5.08 0.00 -1.18 3.63 2.02 -1.96 -3.44 112.91 117.06 3hsl h THR 219 Ca -0.32 -0.06 -0.76 0.00 0.77 0.00 0.00 66.41 66.03 3hsl h THR 219 Cb 1.15 0.00 0.05 0.00 -1.74 0.00 0.00 68.15 67.61 3hsl h THR 219 CO 0.87 0.00 0.19 0.29 0.37 0.00 0.00 175.52 177.24 3hsl n LYS 220 N -2.91 0.31 -1.98 6.66 5.02 -1.26 -4.83 118.16 119.17 3hsl n LYS 220 Ca -0.03 0.11 -0.42 0.00 -2.02 0.00 0.00 58.31 55.94 3hsl n LYS 220 Cb 0.11 -1.65 -0.03 0.00 -0.02 0.00 0.00 35.03 33.44 3hsl n LYS 220 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3hsl s PRO 221 N 0.27 4.02 0.39 1.97 0.02 -1.26 -5.00 135.00 135.41 3hsl s PRO 221 Ca 0.90 2.10 0.08 0.00 0.02 0.00 0.00 61.00 64.09 3hsl s PRO 221 Cb -1.19 -4.04 -0.05 0.00 0.02 0.00 0.00 34.50 29.23 3hsl s PRO 221 CO 0.55 -1.04 0.12 0.14 -0.33 0.00 0.00 177.00 176.44 3hsl s VAL 222 N 4.61 2.42 -0.02 3.83 -7.23 -1.26 -5.15 120.40 117.59 3hsl s VAL 222 Ca 0.76 -1.79 0.01 0.00 -1.81 0.00 0.00 61.98 59.15 3hsl s VAL 222 Cb -0.32 -2.95 0.01 0.00 0.56 0.00 0.00 36.38 33.68 3hsl s VAL 222 CO 0.31 -0.07 -0.03 -0.94 -0.31 0.00 0.00 175.10 174.06 3hsl s SER 223 N -3.83 0.66 0.72 4.85 1.04 -1.26 -4.70 113.70 111.17 3hsl s SER 223 Ca 0.39 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.73 3hsl s SER 223 Cb 0.03 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.90 3hsl s SER 223 CO 0.21 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 175.02 3hsl n GLY 224 N 3.67 1.81 0.04 7.32 0.00 -1.26 -3.65 105.19 113.11 3hsl n GLY 224 Ca -0.21 -0.59 0.07 0.00 0.00 0.00 0.00 46.02 45.29 3hsl n GLY 224 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3hsl n TRP 225 N 9.74 0.13 -1.65 1.61 7.02 -1.26 -4.97 117.44 128.05 3hsl n TRP 225 Ca 0.00 0.04 -0.47 0.00 -1.02 0.00 0.00 57.50 56.05 3hsl n TRP 225 Cb 0.00 -0.64 -0.04 0.00 -2.42 0.00 0.00 31.31 28.21 3hsl n TRP 225 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 3hsl n ASP 226 N -2.40 2.67 -0.17 -0.99 8.00 -1.24 -2.52 116.55 119.90 3hsl n ASP 226 Ca -0.09 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.52 3hsl n ASP 226 Cb 0.67 -1.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.39 3hsl n ASP 226 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hsl n GLY 227 N 2.81 0.95 0.97 0.44 0.00 -1.26 -4.38 105.19 104.71 3hsl n GLY 227 Ca 0.15 -0.52 -0.06 0.00 0.00 0.00 0.00 46.02 45.59 3hsl n GLY 227 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hsl n LEU 228 N -0.17 -0.84 -3.37 0.99 4.77 -1.05 -4.99 117.00 112.35 3hsl n LEU 228 Ca 0.00 -1.91 -0.25 0.00 -0.03 0.00 0.00 56.01 53.82 3hsl n LEU 228 Cb 0.33 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.32 3hsl n LEU 228 CO 0.00 1.42 -0.28 -0.54 -1.33 0.00 0.00 177.39 176.65 3hsl s LYS 229 N 0.00 0.79 0.00 3.23 1.02 -1.26 -4.04 119.74 119.48 3hsl s LYS 229 Ca 0.01 -1.73 0.00 0.00 0.02 0.00 0.00 55.97 54.27 3hsl s LYS 229 Cb 0.01 -1.24 0.00 0.00 -0.52 0.00 0.00 37.83 36.08 3hsl s LYS 229 CO -0.01 -1.32 0.00 0.41 -0.92 0.00 0.00 175.35 173.51 3hsl n GLY 230 N 3.29 1.69 2.61 -3.33 0.00 -1.26 -5.01 105.19 103.17 3hsl n GLY 230 Ca 0.23 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3hsl n GLY 230 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3hsl n LYS 231 N 0.00 0.00 -0.08 1.61 0.00 -1.26 -4.15 118.16 114.28 3hsl n LYS 231 Ca 0.00 -0.11 -0.10 0.00 -0.00 0.00 0.00 58.31 58.10 3hsl n LYS 231 Cb 0.00 -1.40 -0.04 0.00 -0.00 0.00 0.00 35.03 33.59 3hsl n LYS 231 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 3hsl n LYS 232 N 3.13 0.49 0.00 -1.58 2.85 -1.26 -4.61 118.16 117.18 3hsl n LYS 232 Ca 0.00 0.50 0.00 0.00 -1.05 0.00 0.00 58.31 57.76 3hsl n LYS 232 Cb 0.00 -1.67 0.00 0.00 -0.65 0.00 0.00 35.03 32.71 3hsl n LYS 232 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3hsl n SER 233 N -4.54 0.00 -4.16 -5.58 7.64 -1.26 -4.82 113.62 100.91 3hsl n SER 233 Ca -0.16 -1.00 -0.20 0.00 1.01 0.00 0.00 58.87 58.52 3hsl n SER 233 Cb 0.42 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.49 3hsl n SER 233 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3hsl s VAL 234 N 0.00 1.17 -0.21 0.44 0.11 -1.26 -5.01 120.40 115.64 3hsl s VAL 234 Ca 0.00 -1.07 -0.15 0.00 -2.93 0.00 0.00 61.98 57.82 3hsl s VAL 234 Cb 0.00 -1.07 -0.04 0.00 -1.53 0.00 0.00 36.38 33.74 3hsl s VAL 234 CO 0.00 -0.01 0.38 -1.81 -3.33 0.00 0.00 175.10 170.33 3hsl s ASP 235 N -1.25 6.39 0.20 3.54 -0.00 -1.26 -4.32 116.67 119.97 3hsl s ASP 235 Ca 0.02 0.46 0.08 0.00 -0.00 0.00 0.00 52.55 53.11 3hsl s ASP 235 Cb -0.08 -2.22 -0.04 0.00 -0.00 0.00 0.00 42.92 40.57 3hsl s ASP 235 CO 0.02 -0.09 -0.03 -0.69 -0.00 0.00 0.00 175.17 174.38 3hsl s VAL 236 N 1.42 3.50 0.07 -1.27 1.01 -0.45 -0.56 120.40 124.12 3hsl s VAL 236 Ca 0.18 -1.63 -0.26 0.00 0.00 0.00 0.00 61.98 60.27 3hsl s VAL 236 Cb -0.15 -2.79 0.09 0.00 0.00 0.00 0.00 36.38 33.53 3hsl s VAL 236 CO 0.08 -0.19 0.78 -0.83 0.00 0.00 0.00 175.10 174.94 3hsl s GLY 237 N -3.14 -0.50 -0.05 4.51 0.00 -0.83 -0.66 107.32 106.66 3hsl s GLY 237 Ca 0.28 0.73 0.02 0.00 0.00 0.00 0.00 44.72 45.75 3hsl s GLY 237 CO 0.18 0.24 -0.10 0.14 0.00 0.00 0.00 173.10 173.56 3hsl s VAL 238 N -3.39 0.94 -0.14 1.40 1.01 0.21 -2.15 120.40 118.28 3hsl s VAL 238 Ca 0.04 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 3hsl s VAL 238 Cb -0.01 -0.86 0.06 0.00 0.00 0.00 0.00 36.38 35.58 3hsl s VAL 238 CO -0.09 0.30 0.29 -0.69 0.00 0.00 0.00 175.10 174.90 3hsl s VAL 239 N 0.49 -0.35 -0.68 2.92 1.01 -1.26 -1.09 120.40 121.43 3hsl s VAL 239 Ca -0.09 0.23 0.12 0.00 0.00 0.00 0.00 61.98 62.24 3hsl s VAL 239 Cb -0.13 -0.47 -0.11 0.00 0.00 0.00 0.00 36.38 35.68 3hsl s VAL 239 CO 0.02 0.10 0.55 1.41 0.00 0.00 0.00 175.10 177.18 3hsl n HIS 240 N 5.09 0.00 -3.64 5.22 8.25 -1.26 -4.92 115.22 123.95 3hsl n HIS 240 Ca -0.11 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.19 3hsl n HIS 240 Cb 0.51 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.54 3hsl n HIS 240 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3hsl s THR 241 N -2.03 0.03 0.51 1.59 2.01 -1.26 -5.07 115.64 111.42 3hsl s THR 241 Ca 0.06 -0.21 -0.23 0.00 0.31 0.00 0.00 61.69 61.62 3hsl s THR 241 Cb 0.09 -0.81 -0.06 0.00 0.01 0.00 0.00 72.50 71.73 3hsl s THR 241 CO 0.46 -0.11 1.35 0.47 -0.69 0.00 0.00 174.62 176.10 3hsl n ASP 242 N 1.25 2.75 -4.29 3.53 9.92 -1.26 -4.75 116.55 123.69 3hsl n ASP 242 Ca -0.20 1.02 -0.25 0.00 -0.53 0.00 0.00 54.79 54.83 3hsl n ASP 242 Cb 0.56 -1.57 -0.13 0.00 -0.64 0.00 0.00 41.12 39.35 3hsl n ASP 242 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hsl s ALA 243 N -1.26 1.86 -0.13 2.24 0.00 -0.22 -4.94 121.76 119.30 3hsl s ALA 243 Ca 0.68 -1.22 -0.06 0.00 0.00 0.00 0.00 51.96 51.36 3hsl s ALA 243 Cb -0.43 -0.29 0.06 0.00 0.00 0.00 0.00 23.12 22.46 3hsl s ALA 243 CO 0.52 0.39 0.30 -1.17 0.00 0.00 0.00 175.76 175.80 3hsl s LEU 244 N -1.72 -0.04 0.03 0.00 2.96 -1.26 0.04 118.68 118.68 3hsl s LEU 244 Ca 0.08 0.66 0.02 0.00 -0.22 0.00 0.00 54.13 54.66 3hsl s LEU 244 Cb -0.10 0.88 -0.02 0.00 0.50 0.00 0.00 46.19 47.46 3hsl s LEU 244 CO 0.04 -0.20 -0.07 -0.44 -1.32 0.00 0.00 176.35 174.35 3hsl s SER 245 N 1.85 0.81 -0.35 3.68 0.01 0.70 -4.97 113.70 115.43 3hsl s SER 245 Ca -0.05 -0.40 0.01 0.00 1.31 0.00 0.00 55.95 56.82 3hsl s SER 245 Cb -0.11 -0.00 0.11 0.00 0.21 0.00 0.00 66.02 66.23 3hsl s SER 245 CO -0.10 -0.11 0.13 0.00 0.41 0.00 0.00 173.24 173.57 3hsl s ARG 246 N -1.10 1.00 0.44 12.44 1.70 -1.26 0.11 118.95 132.29 3hsl s ARG 246 Ca -0.06 -1.47 0.07 0.00 -0.47 0.00 0.00 55.73 53.81 3hsl s ARG 246 Cb -0.07 -2.30 -0.01 0.00 -0.57 0.00 0.00 34.95 31.99 3hsl s ARG 246 CO 0.00 -1.03 0.35 0.14 -1.08 0.00 0.00 175.30 173.69 3hsl s VAL 247 N 1.15 2.38 0.06 4.99 -7.23 -0.10 -0.84 120.40 120.80 3hsl s VAL 247 Ca 0.12 -1.44 -0.31 0.00 -1.81 0.00 0.00 61.98 58.55 3hsl s VAL 247 Cb -0.20 -2.82 -0.05 0.00 0.56 0.00 0.00 36.38 33.87 3hsl s VAL 247 CO -0.15 0.00 1.19 -0.55 -0.31 0.00 0.00 175.10 175.28 3hsl s SER 248 N -4.13 7.09 0.16 4.85 0.15 -1.26 0.12 113.70 120.69 3hsl s SER 248 Ca 0.44 2.00 -0.15 0.00 0.70 0.00 0.00 55.95 58.94 3hsl s SER 248 Cb -0.02 -2.58 0.04 0.00 -1.71 0.00 0.00 66.02 61.76 3hsl s SER 248 CO 0.26 -0.46 1.82 0.25 1.20 0.00 0.00 173.24 176.30 3hsl h LEU 249 N 6.83 0.47 -0.31 3.45 5.85 -1.70 -0.25 115.31 129.65 3hsl h LEU 249 Ca -0.41 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.33 3hsl h LEU 249 Cb 1.21 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 3hsl h LEU 249 CO 0.81 0.34 0.13 -0.33 -0.34 0.00 0.00 178.44 179.05 3hsl h GLU 250 N 0.57 0.27 -0.93 1.25 5.08 -1.93 -1.14 114.58 117.75 3hsl h GLU 250 Ca 0.17 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 3hsl h GLU 250 Cb -0.04 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.10 3hsl h GLU 250 CO -0.05 0.18 0.62 0.77 -1.00 0.00 0.00 179.01 179.53 3hsl h SER 251 N 0.28 1.07 -0.04 1.42 0.02 -1.67 -2.08 113.55 112.55 3hsl h SER 251 Ca 0.14 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3hsl h SER 251 Cb 0.08 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.36 3hsl h SER 251 CO -0.12 0.77 0.01 0.25 -1.14 0.00 0.00 176.83 176.59 3hsl h LEU 252 N 1.26 0.06 0.32 5.07 5.85 -0.31 0.17 115.31 127.74 3hsl h LEU 252 Ca 0.34 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3hsl h LEU 252 Cb -0.13 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 3hsl h LEU 252 CO -0.08 0.32 -0.42 0.40 -0.34 0.00 0.00 178.44 178.32 3hsl h ILE 253 N -0.19 0.00 -0.72 4.05 1.08 -1.07 0.06 117.51 120.72 3hsl h ILE 253 Ca 0.01 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.58 3hsl h ILE 253 Cb 0.28 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 33.96 3hsl h ILE 253 CO 0.00 0.00 0.36 0.00 -0.69 0.00 0.00 178.15 177.82 3hsl h ALA 254 N -0.97 1.00 0.26 1.87 0.00 -1.41 0.32 119.26 120.34 3hsl h ALA 254 Ca -0.04 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3hsl h ALA 254 Cb 0.69 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3hsl h ALA 254 CO -0.10 -0.04 -0.33 0.00 0.00 0.00 0.00 179.25 178.78 3hsl h ALA 255 N 1.44 -0.66 0.00 0.00 0.00 -0.28 0.54 119.26 120.30 3hsl h ALA 255 Ca 0.36 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 3hsl h ALA 255 Cb 0.38 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 3hsl h ALA 255 CO -0.27 -0.91 -0.06 -0.07 0.00 0.00 0.00 179.25 177.94 3hsl h LEU 256 N -0.64 0.00 0.13 0.00 3.38 -0.37 -1.75 115.31 116.07 3hsl h LEU 256 Ca -0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 3hsl h LEU 256 Cb 0.61 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 3hsl h LEU 256 CO -0.10 0.06 -1.60 -0.09 0.09 0.00 0.00 178.44 176.79 3hsl h ARG 257 N 0.00 0.29 -0.13 1.13 2.43 -0.19 -3.29 114.38 114.62 3hsl h ARG 257 Ca -0.00 -0.49 -0.15 0.00 -0.81 0.00 0.00 59.98 58.53 3hsl h ARG 257 Cb 0.14 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3hsl h ARG 257 CO 0.01 1.16 -0.56 -0.07 -1.51 0.00 0.00 179.97 179.00 3hsl h LEU 258 N 0.08 0.43 -0.89 3.80 3.38 0.37 -3.17 115.31 119.31 3hsl h LEU 258 Ca -0.27 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3hsl h LEU 258 Cb 2.04 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.67 3hsl h LEU 258 CO 0.16 0.90 0.00 0.00 0.09 0.00 0.00 178.44 179.59 3hsl s LYS 260 N -1.85 3.30 -0.39 0.00 2.47 -1.20 -2.85 119.74 119.23 3hsl s LYS 260 Ca 0.32 -2.56 -0.05 0.00 -1.56 0.00 0.00 55.97 52.12 3hsl s LYS 260 Cb 0.17 -4.20 0.08 0.00 -1.46 0.00 0.00 37.83 32.42 3hsl s LYS 260 CO 0.26 -1.25 0.18 0.08 0.16 0.00 0.00 175.35 174.78 3hsl s VAL 261 N -0.05 3.65 -0.25 4.02 1.01 -0.22 -4.96 120.40 123.59 3hsl s VAL 261 Ca 0.19 -1.58 -0.38 0.00 0.00 0.00 0.00 61.98 60.20 3hsl s VAL 261 Cb -0.13 -3.28 -0.14 0.00 0.00 0.00 0.00 36.38 32.83 3hsl s VAL 261 CO -0.07 -0.46 1.86 -2.65 0.00 0.00 0.00 175.10 173.78 3hsl n PRO 262 N 4.75 1.36 -0.68 2.72 -0.02 -1.26 -0.22 135.00 141.65 3hsl n PRO 262 Ca -0.08 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3hsl n PRO 262 Cb 0.43 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3hsl n PRO 262 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hsl n GLY 263 N 4.70 0.68 1.98 -1.23 0.00 -1.26 -4.87 105.19 105.19 3hsl n GLY 263 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 3hsl n GLY 263 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3hsl n TRP 264 N -2.62 -0.39 -4.34 1.61 7.02 0.69 -4.45 117.44 114.96 3hsl n TRP 264 Ca 0.00 0.07 -0.21 0.00 -1.02 0.00 0.00 57.50 56.34 3hsl n TRP 264 Cb 0.00 0.50 -0.11 0.00 -2.42 0.00 0.00 31.31 29.29 3hsl n TRP 264 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 3hsl s PHE 265 N -1.15 1.83 -0.00 -5.99 0.08 0.20 0.39 117.98 113.34 3hsl s PHE 265 Ca 0.00 -0.48 0.00 0.00 0.12 0.00 0.00 56.93 56.57 3hsl s PHE 265 Cb 0.00 -0.89 0.01 0.00 -0.57 0.00 0.00 43.02 41.57 3hsl s PHE 265 CO 0.00 0.36 0.00 -0.08 -0.10 0.00 0.00 175.22 175.40 3hsl s THR 266 N -2.28 0.02 0.37 0.64 -1.32 -0.40 -1.06 115.64 111.62 3hsl s THR 266 Ca 0.18 0.03 -0.28 0.00 -1.21 0.00 0.00 61.69 60.41 3hsl s THR 266 Cb -0.05 -0.05 -0.11 0.00 -1.51 0.00 0.00 72.50 70.79 3hsl s THR 266 CO 0.07 0.03 1.48 -2.84 -2.21 0.00 0.00 174.62 171.15 3hsl s PRO 267 N 0.22 4.12 -0.00 7.08 0.02 -1.22 0.91 135.00 146.12 3hsl s PRO 267 Ca -0.02 2.56 0.01 0.00 0.02 0.00 0.00 61.00 63.57 3hsl s PRO 267 Cb -0.03 -2.97 -0.00 0.00 0.02 0.00 0.00 34.50 31.52 3hsl s PRO 267 CO -0.01 -0.52 -0.03 0.20 -0.33 0.00 0.00 177.00 176.32 3hsl s GLY 268 N -0.14 0.13 -0.12 0.52 0.00 0.85 -4.41 107.32 104.14 3hsl s GLY 268 Ca 0.53 -0.11 -0.04 0.00 0.00 0.00 0.00 44.72 45.10 3hsl s GLY 268 CO 0.62 -0.09 0.02 1.08 0.00 0.00 0.00 173.10 174.74 3hsl s LEU 269 N -0.05 3.64 -0.04 0.66 1.43 -0.31 0.88 118.68 124.89 3hsl s LEU 269 Ca 0.01 0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.24 3hsl s LEU 269 Cb -0.01 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.36 3hsl s LEU 269 CO -0.00 0.30 -0.07 -0.63 0.23 0.00 0.00 176.35 176.18 3hsl s ILE 270 N -0.43 0.69 -0.47 -0.59 1.01 0.27 -0.55 121.20 121.14 3hsl s ILE 270 Ca 0.08 -0.26 -0.13 0.00 0.00 0.00 0.00 60.65 60.34 3hsl s ILE 270 Cb -0.12 -0.65 0.09 0.00 0.01 0.00 0.00 42.46 41.79 3hsl s ILE 270 CO 0.02 0.24 0.37 0.26 0.00 0.00 0.00 174.94 175.82 3hsl s TRP 271 N 0.52 3.29 0.38 3.97 0.51 0.24 0.01 118.94 127.87 3hsl s TRP 271 Ca -0.08 -1.28 -0.24 0.00 -2.12 0.00 0.00 56.10 52.39 3hsl s TRP 271 Cb -0.11 -3.24 -0.10 0.00 -0.81 0.00 0.00 33.47 29.20 3hsl s TRP 271 CO 0.01 -0.87 0.96 -1.01 -0.51 0.00 0.00 176.95 175.53 3hsl s HIS 272 N 1.54 3.47 0.48 -1.98 3.76 0.39 -3.98 115.29 118.96 3hsl s HIS 272 Ca 0.04 1.69 0.24 0.00 -0.15 0.00 0.00 55.06 56.88 3hsl s HIS 272 Cb -0.25 -2.93 1.27 0.00 1.11 0.00 0.00 32.58 31.79 3hsl s HIS 272 CO 0.04 -0.05 1.89 1.03 -0.85 0.00 0.00 174.74 176.79 3hsl h SER 273 N 2.56 0.20 -0.90 1.40 0.87 -1.98 -3.12 113.55 112.59 3hsl h SER 273 Ca -0.48 0.02 -0.62 0.00 -1.23 0.00 0.00 61.79 59.48 3hsl h SER 273 Cb 1.19 -0.02 -0.11 0.00 -0.44 0.00 0.00 62.40 63.02 3hsl h SER 273 CO 0.63 0.08 1.83 -0.46 -0.53 0.00 0.00 176.83 178.38 3hsl n ASN 274 N -4.40 7.50 0.00 6.23 2.04 -1.26 -4.82 115.26 120.55 3hsl n ASN 274 Ca 0.18 -3.04 0.00 0.00 -0.44 0.00 0.00 54.58 51.28 3hsl n ASN 274 Cb 0.78 -1.36 0.00 0.00 -2.53 0.00 0.00 39.78 36.68 3hsl n ASN 274 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 3hsl n GLU 275 N 1.78 -0.59 -3.94 -3.83 -0.58 -1.18 -4.92 120.64 107.38 3hsl n GLU 275 Ca 0.59 0.10 -0.35 0.00 -0.42 0.00 0.00 57.16 57.08 3hsl n GLU 275 Cb 0.38 -3.67 -0.11 0.00 -0.57 0.00 0.00 31.44 27.47 3hsl n GLU 275 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3hsl s ILE 276 N -0.69 4.52 -0.29 -3.67 1.01 -1.24 -4.21 121.20 116.62 3hsl s ILE 276 Ca 0.00 -0.12 -0.17 0.00 0.00 0.00 0.00 60.65 60.36 3hsl s ILE 276 Cb 0.00 -3.07 -0.02 0.00 0.01 0.00 0.00 42.46 39.38 3hsl s ILE 276 CO 0.00 0.41 0.47 -0.22 0.00 0.00 0.00 174.94 175.60 3hsl s LEU 277 N 0.93 4.15 -0.17 2.97 2.96 -1.16 -0.47 118.68 127.90 3hsl s LEU 277 Ca 0.03 0.26 -0.05 0.00 -0.22 0.00 0.00 54.13 54.15 3hsl s LEU 277 Cb -0.14 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.95 3hsl s LEU 277 CO 0.03 -0.32 0.01 -0.70 -1.32 0.00 0.00 176.35 174.04 3hsl s GLU 278 N 2.27 3.81 -0.35 1.98 2.12 0.10 -0.05 118.70 128.59 3hsl s GLU 278 Ca 0.18 -0.43 -0.14 0.00 0.36 0.00 0.00 54.97 54.95 3hsl s GLU 278 Cb -0.16 -3.06 -0.01 0.00 0.26 0.00 0.00 34.13 31.16 3hsl s GLU 278 CO 0.11 0.27 0.28 0.08 -0.54 0.00 0.00 175.26 175.45 3hsl s VAL 279 N 0.34 5.25 -0.05 3.70 1.01 -0.27 -0.56 120.40 129.82 3hsl s VAL 279 Ca -0.01 -0.17 0.06 0.00 0.00 0.00 0.00 61.98 61.86 3hsl s VAL 279 Cb -0.13 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 3hsl s VAL 279 CO 0.02 -0.05 -0.24 -0.70 0.00 0.00 0.00 175.10 174.12 3hsl s GLU 280 N 1.80 2.51 -0.24 2.72 2.12 0.25 -0.45 118.70 127.41 3hsl s GLU 280 Ca 0.07 -0.89 -0.29 0.00 0.36 0.00 0.00 54.97 54.22 3hsl s GLU 280 Cb -0.17 -2.17 -0.02 0.00 0.26 0.00 0.00 34.13 32.03 3hsl s GLU 280 CO 0.11 0.42 1.46 0.20 -0.54 0.00 0.00 175.26 176.90 3hsl s GLY 281 N -0.24 1.35 -0.23 -1.50 0.00 0.14 -0.11 107.32 106.72 3hsl s GLY 281 Ca -0.01 0.35 -0.14 0.00 0.00 0.00 0.00 44.72 44.92 3hsl s GLY 281 CO 0.03 2.79 0.33 0.14 0.00 0.00 0.00 173.10 176.39 3hsl s VAL 282 N 4.63 5.23 0.12 1.40 1.01 0.26 -4.66 120.40 128.40 3hsl s VAL 282 Ca 0.64 0.53 -0.34 0.00 0.00 0.00 0.00 61.98 62.80 3hsl s VAL 282 Cb -0.22 -3.66 -0.14 0.00 0.00 0.00 0.00 36.38 32.36 3hsl s VAL 282 CO 0.25 0.25 1.56 -0.81 0.00 0.00 0.00 175.10 176.35 3hsl n PRO 283 N 4.68 1.96 -0.01 2.72 -0.04 -1.26 -1.27 135.00 141.79 3hsl n PRO 283 Ca -0.10 0.71 0.08 0.00 -0.04 0.00 0.00 63.50 64.15 3hsl n PRO 283 Cb 0.51 -2.46 -0.12 0.00 -0.04 0.00 0.00 33.50 31.39 3hsl n PRO 283 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3hsl n THR 284 N 3.42 0.00 -2.38 0.52 -2.24 0.16 -4.90 114.28 108.86 3hsl n THR 284 Ca 0.18 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3hsl n THR 284 Cb 0.27 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 3hsl n THR 284 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hsl n GLY 285 N 1.59 4.75 0.04 3.38 0.00 -1.24 -4.94 105.19 108.77 3hsl n GLY 285 Ca -0.03 -2.01 0.02 0.00 0.00 0.00 0.00 46.02 44.00 3hsl n GLY 285 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hsl n GLN 287 N -0.51 0.92 -0.93 0.00 10.64 -1.26 -4.76 117.38 121.46 3hsl n GLN 287 Ca 0.02 -2.24 -0.09 0.00 -1.83 0.00 0.00 57.00 52.86 3hsl n GLN 287 Cb 0.39 -1.16 0.19 0.00 -0.86 0.00 0.00 30.24 28.80 3hsl n GLN 287 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 3hsl n SER 288 N -0.90 2.82 -0.23 2.61 3.41 -1.26 -4.77 113.62 115.29 3hsl n SER 288 Ca 0.12 -3.76 -0.03 0.00 -0.26 0.00 0.00 58.87 54.93 3hsl n SER 288 Cb 0.70 -0.68 0.15 0.00 -0.26 0.00 0.00 64.21 64.12 3hsl n SER 288 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3hsl h GLY 289 N 1.03 1.12 -1.27 5.00 0.00 -1.97 -2.46 103.07 104.54 3hsl h GLY 289 Ca 0.32 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 47.10 3hsl h GLY 289 CO 0.56 0.52 0.00 1.22 0.00 0.00 0.00 176.54 178.85 3hsl n ASP 290 N -4.32 1.81 -4.02 0.19 8.00 -1.26 -4.88 116.55 112.07 3hsl n ASP 290 Ca 0.07 -2.10 -0.20 0.00 0.71 0.00 0.00 54.79 53.27 3hsl n ASP 290 Cb 0.14 -0.30 -0.15 0.00 -0.02 0.00 0.00 41.12 40.79 3hsl n ASP 290 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hsl s VAL 291 N -1.64 0.77 -0.05 2.53 1.01 -0.93 -1.29 120.40 120.80 3hsl s VAL 291 Ca 0.18 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.80 3hsl s VAL 291 Cb 0.11 -0.66 0.01 0.00 0.00 0.00 0.00 36.38 35.83 3hsl s VAL 291 CO 0.10 0.23 -0.11 -0.54 0.00 0.00 0.00 175.10 174.78 3hsl s LYS 292 N -0.02 1.41 -0.08 2.72 1.02 -0.83 -4.98 119.74 118.97 3hsl s LYS 292 Ca 0.00 -0.39 -0.01 0.00 0.02 0.00 0.00 55.97 55.60 3hsl s LYS 292 Cb -0.06 -1.22 0.03 0.00 -0.52 0.00 0.00 37.83 36.05 3hsl s LYS 292 CO 0.00 0.08 -0.03 -1.17 -0.92 0.00 0.00 175.35 173.31 3hsl s LEU 293 N 0.43 0.92 0.27 3.17 2.96 -1.26 -0.71 118.68 124.47 3hsl s LEU 293 Ca -0.09 -0.16 -0.18 0.00 -0.22 0.00 0.00 54.13 53.48 3hsl s LEU 293 Cb -0.13 -0.56 0.01 0.00 0.50 0.00 0.00 46.19 46.02 3hsl s LEU 293 CO 0.02 -0.14 0.64 -0.94 -1.32 0.00 0.00 176.35 174.62 3hsl s SER 294 N 1.65 -0.19 -0.06 3.68 1.04 -0.98 -0.69 113.70 118.17 3hsl s SER 294 Ca 0.01 -0.74 -0.00 0.00 0.48 0.00 0.00 55.95 55.70 3hsl s SER 294 Cb -0.13 0.69 0.03 0.00 0.10 0.00 0.00 66.02 66.71 3hsl s SER 294 CO -0.05 -1.29 -0.01 -0.69 0.98 0.00 0.00 173.24 172.18 3hsl s VAL 295 N -3.89 0.37 -0.22 5.02 1.01 0.40 -1.30 120.40 121.79 3hsl s VAL 295 Ca 0.15 0.06 -0.22 0.00 0.00 0.00 0.00 61.98 61.97 3hsl s VAL 295 Cb -0.04 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 3hsl s VAL 295 CO 0.08 0.23 0.70 -0.76 0.00 0.00 0.00 175.10 175.35 3hsl s LEU 296 N 1.56 4.11 -0.27 3.92 1.43 -0.52 -1.12 118.68 127.79 3hsl s LEU 296 Ca -0.01 0.89 -0.15 0.00 -1.03 0.00 0.00 54.13 53.82 3hsl s LEU 296 Cb -0.13 -2.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.06 3hsl s LEU 296 CO -0.03 -0.38 0.39 -0.76 0.23 0.00 0.00 176.35 175.80 3hsl s LEU 297 N 2.35 4.06 0.26 1.79 1.43 0.93 -1.22 118.68 128.29 3hsl s LEU 297 Ca 0.31 0.28 -0.28 0.00 -1.03 0.00 0.00 54.13 53.41 3hsl s LEU 297 Cb -0.16 -2.44 -0.09 0.00 0.03 0.00 0.00 46.19 43.53 3hsl s LEU 297 CO 0.09 -0.20 0.92 -0.76 0.23 0.00 0.00 176.35 176.63 3hsl s LEU 298 N 2.09 4.51 0.29 1.79 1.43 0.07 -2.96 118.68 125.89 3hsl s LEU 298 Ca 0.15 1.86 -0.29 0.00 -1.03 0.00 0.00 54.13 54.81 3hsl s LEU 298 Cb -0.16 -3.74 -0.10 0.00 0.03 0.00 0.00 46.19 42.22 3hsl s LEU 298 CO 0.10 0.07 1.43 -0.70 0.23 0.00 0.00 176.35 177.48 3hsl s GLU 299 N -1.55 4.26 0.00 1.70 -6.30 -1.26 -4.39 118.70 111.15 3hsl s GLU 299 Ca 0.44 2.34 0.11 0.00 -2.50 0.00 0.00 54.97 55.36 3hsl s GLU 299 Cb -0.22 -3.08 0.09 0.00 0.00 0.00 0.00 34.13 30.91 3hsl s GLU 299 CO 0.28 -0.40 0.85 0.28 0.02 0.00 0.00 175.26 176.29