#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x42 n ARG 3 N 0.00 3.55 -3.85 0.38 1.74 0.04 -5.01 116.66 113.51 1x42 n ARG 3 Ca 0.00 -0.25 -0.12 0.00 -0.77 0.00 0.00 57.85 56.71 1x42 n ARG 3 Cb 0.00 -0.90 -0.11 0.00 -1.02 0.00 0.00 32.46 30.43 1x42 n ARG 3 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x42 s ALA 4 N -1.35 -0.35 -0.12 7.54 0.00 -1.02 -0.97 121.76 125.49 1x42 s ALA 4 Ca 0.04 0.15 -0.00 0.00 0.00 0.00 0.00 51.96 52.15 1x42 s ALA 4 Cb 0.05 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.12 1x42 s ALA 4 CO 0.22 -0.14 -0.09 0.08 0.00 0.00 0.00 175.76 175.83 1x42 s VAL 5 N -0.66 1.16 0.05 0.00 1.01 -0.11 -1.39 120.40 120.46 1x42 s VAL 5 Ca -0.07 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.58 1x42 s VAL 5 Cb -0.04 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 1x42 s VAL 5 CO 0.01 0.39 -0.09 -0.36 0.00 0.00 0.00 175.10 175.04 1x42 s PHE 6 N 1.59 2.79 0.02 5.22 0.40 0.53 -1.09 117.98 127.44 1x42 s PHE 6 Ca 0.04 -0.12 0.06 0.00 -0.60 0.00 0.00 56.93 56.31 1x42 s PHE 6 Cb -0.13 -1.52 -0.02 0.00 0.51 0.00 0.00 43.02 41.86 1x42 s PHE 6 CO -0.08 0.38 -0.17 -0.06 0.70 0.00 0.00 175.22 175.99 1x42 s PHE 7 N -1.08 1.51 0.87 0.36 0.08 0.92 -0.36 117.98 120.29 1x42 s PHE 7 Ca 0.19 -0.33 -0.13 0.00 0.12 0.00 0.00 56.93 56.77 1x42 s PHE 7 Cb -0.11 -0.93 0.13 0.00 -0.57 0.00 0.00 43.02 41.55 1x42 s PHE 7 CO 0.10 0.03 1.23 0.34 -0.10 0.00 0.00 175.22 176.83 1x42 s ASP 8 N -0.88 3.91 0.00 1.36 3.68 -0.31 -0.80 116.67 123.63 1x42 s ASP 8 Ca 0.05 0.53 0.00 0.00 2.13 0.00 0.00 52.55 55.26 1x42 s ASP 8 Cb -0.08 -0.83 0.00 0.00 -1.45 0.00 0.00 42.92 40.57 1x42 s ASP 8 CO 0.01 -2.26 0.00 0.33 0.13 0.00 0.00 175.17 173.38 1x42 n PHE 9 N -3.49 0.00 -2.26 -5.34 7.35 -1.26 -4.21 117.46 108.25 1x42 n PHE 9 Ca 0.11 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.39 1x42 n PHE 9 Cb 0.60 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.40 1x42 n PHE 9 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1x42 s VAL 10 N -0.80 3.47 0.00 -2.13 1.01 -1.26 -0.67 120.40 120.02 1x42 s VAL 10 Ca 0.00 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.09 1x42 s VAL 10 Cb 0.00 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1x42 s VAL 10 CO 0.00 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.83 1x42 n GLY 11 N 3.00 2.70 0.49 4.51 0.00 -0.37 -4.75 105.19 110.77 1x42 n GLY 11 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 1x42 n GLY 11 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x42 n THR 12 N -2.00 0.66 -0.09 2.61 -1.04 -0.97 -4.70 114.28 108.76 1x42 n THR 12 Ca 0.00 -0.19 -0.15 0.00 -2.04 0.00 0.00 64.05 61.67 1x42 n THR 12 Cb 0.00 -1.48 -0.07 0.00 -1.82 0.00 0.00 70.33 66.95 1x42 n THR 12 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1x42 n LEU 13 N -3.37 2.27 -4.70 -4.42 4.77 0.16 -4.88 117.00 106.82 1x42 n LEU 13 Ca -0.23 0.04 -0.41 0.00 -0.03 0.00 0.00 56.01 55.38 1x42 n LEU 13 Cb 0.68 -0.57 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 1x42 n LEU 13 CO 0.04 0.61 0.56 -0.22 -1.33 0.00 0.00 177.39 177.05 1x42 s LEU 14 N -6.40 4.28 0.17 2.23 2.96 -0.59 -1.37 118.68 119.95 1x42 s LEU 14 Ca -0.24 1.31 -0.31 0.00 -0.22 0.00 0.00 54.13 54.67 1x42 s LEU 14 Cb 0.07 -3.27 -0.10 0.00 0.50 0.00 0.00 46.19 43.40 1x42 s LEU 14 CO 0.36 -0.26 1.50 -0.55 -1.32 0.00 0.00 176.35 176.08 1x42 s SER 15 N 0.99 6.65 0.20 3.68 0.15 -0.39 -1.24 113.70 123.74 1x42 s SER 15 Ca 0.42 2.56 -0.09 0.00 0.70 0.00 0.00 55.95 59.54 1x42 s SER 15 Cb -0.18 -2.60 0.13 0.00 -1.71 0.00 0.00 66.02 61.66 1x42 s SER 15 CO 0.18 -0.76 1.77 0.58 1.20 0.00 0.00 173.24 176.22 1x42 h VAL 16 N 3.96 1.24 -0.52 4.45 2.07 -1.90 -0.68 116.25 124.89 1x42 h VAL 16 Ca -0.43 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.29 1x42 h VAL 16 Cb 1.21 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1x42 h VAL 16 CO 0.87 0.30 0.05 -0.33 0.02 0.00 0.00 177.57 178.48 1x42 h GLU 17 N 1.03 0.84 -0.45 1.57 3.07 -1.96 -2.27 114.58 116.42 1x42 h GLU 17 Ca 0.25 -0.21 -0.14 0.00 -0.50 0.00 0.00 59.36 58.76 1x42 h GLU 17 Cb 0.17 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 1x42 h GLU 17 CO -0.03 0.81 -0.27 0.78 -1.40 0.00 0.00 179.01 178.90 1x42 h GLY 18 N 0.98 1.04 1.84 -3.84 0.00 -1.75 -2.78 103.07 98.56 1x42 h GLY 18 Ca 0.16 -0.96 -0.09 0.00 0.00 0.00 0.00 47.33 46.43 1x42 h GLY 18 CO 0.01 0.87 -0.37 -2.09 0.00 0.00 0.00 176.54 174.97 1x42 h GLU 19 N 0.81 0.18 -0.50 4.80 4.81 -0.76 -0.13 114.58 123.80 1x42 h GLU 19 Ca 0.09 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1x42 h GLU 19 Cb 0.85 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.19 1x42 h GLU 19 CO 0.07 0.53 0.31 0.00 -0.73 0.00 0.00 179.01 179.19 1x42 h ALA 20 N 1.47 0.64 -0.32 2.92 0.00 -1.28 0.66 119.26 123.35 1x42 h ALA 20 Ca 0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1x42 h ALA 20 Cb 0.72 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1x42 h ALA 20 CO 0.05 0.02 0.11 -0.22 0.00 0.00 0.00 179.25 179.22 1x42 h LYS 21 N 0.62 0.49 -0.14 0.00 3.64 -1.18 0.70 116.57 120.70 1x42 h LYS 21 Ca 0.20 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1x42 h LYS 21 Cb -0.01 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1x42 h LYS 21 CO -0.08 0.51 0.08 1.15 -2.27 0.00 0.00 179.45 178.85 1x42 h THR 22 N 0.36 1.02 -0.72 1.00 2.02 -0.41 -0.87 112.91 115.30 1x42 h THR 22 Ca 0.10 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.21 1x42 h THR 22 Cb 0.22 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 1x42 h THR 22 CO -0.01 0.03 0.37 0.45 0.37 0.00 0.00 175.52 176.74 1x42 h HIS 23 N 0.17 1.00 -0.51 3.16 3.86 0.43 -1.35 115.15 121.92 1x42 h HIS 23 Ca 0.05 -0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.19 1x42 h HIS 23 Cb -0.00 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.12 1x42 h HIS 23 CO -0.08 0.72 0.12 1.25 0.86 0.00 0.00 177.93 180.80 1x42 h LEU 24 N 1.02 0.72 -0.68 2.43 5.85 -0.28 -2.64 115.31 121.73 1x42 h LEU 24 Ca 0.25 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.76 1x42 h LEU 24 Cb 0.07 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1x42 h LEU 24 CO -0.04 0.72 0.02 0.11 -0.34 0.00 0.00 178.44 178.91 1x42 h LYS 25 N 0.75 1.04 -0.83 1.25 1.79 -0.31 -1.74 116.57 118.53 1x42 h LYS 25 Ca 0.17 -0.31 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1x42 h LYS 25 Cb 0.28 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1x42 h LYS 25 CO -0.00 1.01 0.00 -0.89 -1.08 0.00 0.00 179.45 178.48 1x42 n ILE 26 N -4.19 0.06 0.00 1.86 5.41 -0.59 -1.28 119.36 120.63 1x42 n ILE 26 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1x42 n ILE 26 Cb 0.33 -0.27 0.00 0.00 -0.71 0.00 0.00 39.64 38.99 1x42 n ILE 26 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1x42 n GLU 28 N 0.62 0.00 -0.13 0.38 1.02 -0.65 -0.44 120.64 121.45 1x42 n GLU 28 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 1x42 n GLU 28 Cb 0.05 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.45 1x42 n GLU 28 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1x42 h GLU 29 N 0.00 0.70 -0.49 3.49 4.57 -1.45 -0.42 114.58 120.98 1x42 h GLU 29 Ca 0.00 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 1x42 h GLU 29 Cb 0.00 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 1x42 h GLU 29 CO 0.00 0.85 0.31 0.28 -1.18 0.00 0.00 179.01 179.27 1x42 h VAL 30 N 0.51 1.14 -0.07 0.32 2.07 -1.00 -3.29 116.25 115.92 1x42 h VAL 30 Ca 0.10 -0.29 -0.14 0.00 0.82 0.00 0.00 66.70 67.19 1x42 h VAL 30 Cb 0.58 0.45 0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1x42 h VAL 30 CO 0.03 0.14 -0.50 -0.07 0.02 0.00 0.00 177.57 177.19 1x42 h LEU 31 N 0.66 0.56 0.00 2.57 3.38 -1.77 -3.48 115.31 117.23 1x42 h LEU 31 Ca 0.18 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1x42 h LEU 31 Cb -0.04 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1x42 h LEU 31 CO -0.04 1.15 0.00 0.61 0.09 0.00 0.00 178.44 180.25 1x42 n GLY 32 N 0.81 2.34 0.60 0.83 0.00 -0.18 -2.10 105.19 107.48 1x42 n GLY 32 Ca -0.09 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 45.73 1x42 n GLY 32 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x42 n ASP 33 N 6.74 1.83 -4.68 1.61 8.00 -1.26 -4.94 116.55 123.85 1x42 n ASP 33 Ca 0.00 -1.65 -0.45 0.00 0.71 0.00 0.00 54.79 53.40 1x42 n ASP 33 Cb 0.00 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.02 1x42 n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x42 n TYR 34 N 0.43 2.35 -0.42 1.24 4.19 -0.89 -4.82 117.16 119.23 1x42 n TYR 34 Ca 0.18 0.28 -0.04 0.00 3.31 0.00 0.00 57.90 61.63 1x42 n TYR 34 Cb 0.39 -2.54 -0.05 0.00 0.49 0.00 0.00 39.34 37.62 1x42 n TYR 34 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1x42 n PRO 35 N 3.06 0.85 -5.07 2.98 -0.04 -1.26 -4.80 135.00 130.72 1x42 n PRO 35 Ca 0.15 -0.31 -0.32 0.00 -0.04 0.00 0.00 63.50 62.97 1x42 n PRO 35 Cb 0.31 -1.55 -0.15 0.00 -0.04 0.00 0.00 33.50 32.07 1x42 n PRO 35 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1x42 s LEU 36 N 0.00 2.41 -0.20 1.53 2.96 -1.26 -5.08 118.68 119.04 1x42 s LEU 36 Ca 0.21 -0.35 -0.29 0.00 -0.22 0.00 0.00 54.13 53.48 1x42 s LEU 36 Cb 0.10 -1.47 -0.03 0.00 0.50 0.00 0.00 46.19 45.30 1x42 s LEU 36 CO 0.00 0.30 1.63 0.21 -1.32 0.00 0.00 176.35 177.17 1x42 s ASN 37 N -0.46 6.39 0.44 3.68 2.47 -1.26 -4.88 114.94 121.32 1x42 s ASN 37 Ca 0.05 1.69 0.19 0.00 0.42 0.00 0.00 52.86 55.21 1x42 s ASN 37 Cb -0.12 -2.53 1.13 0.00 -1.45 0.00 0.00 41.25 38.28 1x42 s ASN 37 CO 0.01 -1.24 1.88 1.55 -3.72 0.00 0.00 177.10 175.58 1x42 h PRO 38 N 10.70 0.34 -0.05 0.43 0.13 -1.97 0.18 132.00 141.77 1x42 h PRO 38 Ca -0.34 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 64.69 1x42 h PRO 38 Cb 1.16 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1x42 h PRO 38 CO 1.00 0.23 -0.34 0.87 -0.23 0.00 0.00 178.00 179.52 1x42 h LYS 39 N 0.35 0.09 -0.15 0.86 1.57 -1.95 0.23 116.57 117.59 1x42 h LYS 39 Ca 0.43 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 59.10 1x42 h LYS 39 Cb 1.13 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 1x42 h LYS 39 CO -0.14 0.43 -0.20 1.15 -0.57 0.00 0.00 179.45 180.12 1x42 h THR 40 N 0.08 1.36 -0.89 -0.16 2.02 -1.05 -1.25 112.91 113.02 1x42 h THR 40 Ca 0.01 -1.41 -0.01 0.00 0.77 0.00 0.00 66.41 65.78 1x42 h THR 40 Cb 0.65 1.93 -0.04 0.00 -1.74 0.00 0.00 68.15 68.95 1x42 h THR 40 CO 0.05 0.42 0.54 0.25 0.37 0.00 0.00 175.52 177.14 1x42 h LEU 41 N 0.01 1.08 -0.26 2.58 5.85 -0.80 -2.18 115.31 121.59 1x42 h LEU 41 Ca 0.02 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.68 1x42 h LEU 41 Cb 0.76 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1x42 h LEU 41 CO 0.05 0.83 0.14 0.25 -0.34 0.00 0.00 178.44 179.37 1x42 h LEU 42 N 1.23 0.22 -0.65 2.25 5.85 -0.38 -0.20 115.31 123.63 1x42 h LEU 42 Ca 0.32 0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.10 1x42 h LEU 42 Cb -0.05 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 1x42 h LEU 42 CO -0.06 0.16 0.37 -0.78 -0.34 0.00 0.00 178.44 177.80 1x42 h ASP 43 N 0.29 0.57 -0.50 1.25 1.82 -0.83 -0.26 116.42 118.76 1x42 h ASP 43 Ca 0.10 0.02 -0.05 0.00 -0.39 0.00 0.00 57.03 56.71 1x42 h ASP 43 Cb 0.01 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 39.91 1x42 h ASP 43 CO -0.06 0.38 0.11 -0.33 -1.61 0.00 0.00 179.24 177.73 1x42 h GLU 44 N 0.70 0.81 -0.35 0.28 4.39 -1.01 -2.32 114.58 117.09 1x42 h GLU 44 Ca 0.28 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 1x42 h GLU 44 Cb 0.14 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1x42 h GLU 44 CO -0.16 0.79 0.16 -0.92 -1.16 0.00 0.00 179.01 177.72 1x42 h TYR 45 N 0.70 0.51 0.42 4.33 3.20 -0.48 -0.61 116.97 125.04 1x42 h TYR 45 Ca 0.16 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.99 1x42 h TYR 45 Cb 0.35 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 1x42 h TYR 45 CO 0.02 0.45 -0.30 0.93 -1.64 0.00 0.00 178.16 177.63 1x42 h GLU 46 N 0.43 -0.68 -0.32 1.82 5.08 -1.01 0.90 114.58 120.80 1x42 h GLU 46 Ca 0.12 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.57 1x42 h GLU 46 Cb 0.14 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 1x42 h GLU 46 CO -0.01 -0.45 0.06 -0.22 -1.00 0.00 0.00 179.01 177.38 1x42 h LYS 47 N -0.71 0.17 -0.39 2.33 3.64 -1.34 0.20 116.57 120.47 1x42 h LYS 47 Ca -0.04 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.21 1x42 h LYS 47 Cb 0.60 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1x42 h LYS 47 CO 0.02 0.11 -0.24 -0.07 -2.27 0.00 0.00 179.45 177.00 1x42 h LEU 48 N 0.17 0.81 -0.34 5.20 3.38 -0.88 -1.51 115.31 122.14 1x42 h LEU 48 Ca 0.15 -0.30 -0.18 0.00 0.09 0.00 0.00 57.88 57.64 1x42 h LEU 48 Cb 0.16 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1x42 h LEU 48 CO -0.20 1.01 -0.58 0.71 0.09 0.00 0.00 178.44 179.48 1x42 h THR 49 N 0.69 1.29 -0.24 0.22 1.35 -0.50 -1.04 112.91 114.68 1x42 h THR 49 Ca 0.09 -1.79 0.03 0.00 -0.55 0.00 0.00 66.41 64.19 1x42 h THR 49 Cb 0.76 1.72 -0.03 0.00 -1.73 0.00 0.00 68.15 68.86 1x42 h THR 49 CO 0.06 0.57 0.06 0.03 -0.25 0.00 0.00 175.52 176.00 1x42 h ARG 50 N 0.58 0.16 -0.65 4.72 -0.00 -0.44 -0.38 114.38 118.37 1x42 h ARG 50 Ca 0.00 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.98 59.47 1x42 h ARG 50 Cb 1.17 -0.04 -0.03 0.00 0.00 0.00 0.00 29.97 31.08 1x42 h ARG 50 CO 0.12 0.10 0.40 1.49 0.00 0.00 0.00 179.97 182.09 1x42 h GLU 51 N 0.16 0.88 0.13 0.04 4.57 -1.18 -1.56 114.58 117.62 1x42 h GLU 51 Ca 0.11 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1x42 h GLU 51 Cb 0.09 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 1x42 h GLU 51 CO -0.13 0.62 -0.06 0.00 -1.18 0.00 0.00 179.01 178.26 1x42 h ALA 52 N 1.21 -0.17 -0.93 2.92 0.00 -0.84 -2.46 119.26 118.98 1x42 h ALA 52 Ca 0.23 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.17 1x42 h ALA 52 Cb -0.04 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 1x42 h ALA 52 CO -0.05 -0.57 0.60 0.74 0.00 0.00 0.00 179.25 179.98 1x42 h PHE 53 N -0.24 1.04 -0.66 0.00 0.05 -0.98 -1.58 116.94 114.57 1x42 h PHE 53 Ca -0.02 0.03 0.09 0.00 3.82 0.00 0.00 57.97 61.89 1x42 h PHE 53 Cb 0.19 -0.34 -0.07 0.00 2.00 0.00 0.00 35.95 37.73 1x42 h PHE 53 CO -0.05 0.48 0.30 1.03 -0.18 0.00 0.00 178.31 179.88 1x42 h SER 54 N 0.96 0.35 0.18 2.17 0.87 -0.84 -0.74 113.55 116.50 1x42 h SER 54 Ca 0.43 0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 61.03 1x42 h SER 54 Cb 0.37 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1x42 h SER 54 CO -0.19 0.20 -0.16 0.78 -0.53 0.00 0.00 176.83 176.93 1x42 h ASN 55 N 0.51 0.00 0.20 6.23 -0.26 -0.90 -2.69 115.58 118.68 1x42 h ASN 55 Ca 0.33 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.07 1x42 h ASN 55 Cb 0.38 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.64 1x42 h ASN 55 CO -0.29 0.16 -0.22 -1.22 -1.06 0.00 0.00 177.43 174.81 1x42 n TYR 56 N -4.28 0.00 -1.64 1.19 4.02 -0.34 -4.87 117.16 111.24 1x42 n TYR 56 Ca -0.02 0.00 -0.49 0.00 -0.01 0.00 0.00 57.90 57.37 1x42 n TYR 56 Cb 0.23 -0.10 -0.05 0.00 -0.02 0.00 0.00 39.34 39.40 1x42 n TYR 56 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1x42 n ALA 57 N -0.53 0.33 -0.73 -0.72 0.00 -0.88 -1.31 120.51 116.66 1x42 n ALA 57 Ca 0.13 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1x42 n ALA 57 Cb 0.35 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.55 1x42 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x42 n GLY 58 N 3.17 0.90 4.00 0.00 0.00 -0.30 -4.81 105.19 108.15 1x42 n GLY 58 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 1x42 n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x42 s LYS 59 N -0.25 2.72 0.65 1.61 1.02 -0.43 -4.58 119.74 120.48 1x42 s LYS 59 Ca 0.00 -1.09 -0.17 0.00 0.02 0.00 0.00 55.97 54.73 1x42 s LYS 59 Cb 0.00 -2.66 -0.04 0.00 -0.52 0.00 0.00 37.83 34.61 1x42 s LYS 59 CO 0.00 -0.43 0.87 -2.30 -0.92 0.00 0.00 175.35 172.57 1x42 n PRO 60 N -2.03 0.68 -2.00 -1.68 -0.02 -1.26 -1.68 135.00 127.01 1x42 n PRO 60 Ca 0.08 0.28 -0.40 0.00 -2.02 0.00 0.00 63.50 61.43 1x42 n PRO 60 Cb 0.59 -2.10 -0.01 0.00 -0.02 0.00 0.00 33.50 31.96 1x42 n PRO 60 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1x42 s TYR 61 N -1.65 2.84 -0.01 6.00 5.04 -0.23 -4.68 117.35 124.65 1x42 s TYR 61 Ca 0.74 1.35 0.00 0.00 -2.44 0.00 0.00 57.07 56.72 1x42 s TYR 61 Cb -0.39 -3.77 0.01 0.00 0.35 0.00 0.00 41.96 38.15 1x42 s TYR 61 CO 0.49 -2.26 -0.01 0.50 -1.34 0.00 0.00 175.55 172.93 1x42 s ARG 62 N -2.03 0.15 0.12 4.97 3.52 -1.26 -4.97 118.95 119.45 1x42 s ARG 62 Ca 0.53 -0.01 -0.35 0.00 -0.13 0.00 0.00 55.73 55.77 1x42 s ARG 62 Cb -0.41 -0.22 -0.15 0.00 -1.56 0.00 0.00 34.95 32.61 1x42 s ARG 62 CO 0.54 -0.02 1.46 -2.30 -0.81 0.00 0.00 175.30 174.17 1x42 n PRO 63 N 3.39 1.64 0.07 5.12 -0.02 -1.26 -4.82 135.00 139.13 1x42 n PRO 63 Ca -0.17 0.59 0.02 0.00 -2.02 0.00 0.00 63.50 61.92 1x42 n PRO 63 Cb 0.56 -2.30 0.36 0.00 -0.02 0.00 0.00 33.50 32.11 1x42 n PRO 63 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1x42 h ILE 64 N 3.48 1.18 -0.70 4.25 2.04 -1.99 -1.47 117.51 124.29 1x42 h ILE 64 Ca -0.46 -0.73 0.08 0.00 1.00 0.00 0.00 64.86 64.75 1x42 h ILE 64 Cb 1.29 1.06 -0.06 0.00 -0.74 0.00 0.00 36.82 38.37 1x42 h ILE 64 CO 0.83 0.24 0.37 -0.09 0.00 0.00 0.00 178.15 179.50 1x42 h ARG 65 N 0.34 0.62 -0.63 2.37 2.43 -2.00 -1.06 114.38 116.46 1x42 h ARG 65 Ca 0.07 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.13 1x42 h ARG 65 Cb 0.32 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1x42 h ARG 65 CO 0.01 0.41 0.08 -0.44 -1.51 0.00 0.00 179.97 178.52 1x42 h ASP 66 N 0.64 1.03 -0.43 -3.80 3.45 -1.64 -0.76 116.42 114.91 1x42 h ASP 66 Ca 0.33 -0.27 -0.07 0.00 0.43 0.00 0.00 57.03 57.45 1x42 h ASP 66 Cb 0.29 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 38.78 1x42 h ASP 66 CO -0.23 1.04 -0.02 0.40 -1.57 0.00 0.00 179.24 178.86 1x42 h ILE 67 N 0.98 1.26 -0.30 0.35 2.04 -0.96 -2.15 117.51 118.73 1x42 h ILE 67 Ca 0.19 -1.06 -0.15 0.00 1.00 0.00 0.00 64.86 64.84 1x42 h ILE 67 Cb 0.47 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1x42 h ILE 67 CO 0.02 0.36 -0.41 -0.33 0.00 0.00 0.00 178.15 177.79 1x42 h GLU 68 N 0.61 0.72 -0.86 2.37 5.08 -1.04 -2.87 114.58 118.58 1x42 h GLU 68 Ca 0.12 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1x42 h GLU 68 Cb 0.51 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 1x42 h GLU 68 CO 0.03 0.99 0.48 0.93 -1.00 0.00 0.00 179.01 180.44 1x42 h GLU 69 N 0.58 1.19 -0.23 2.33 5.08 -1.11 -2.47 114.58 119.96 1x42 h GLU 69 Ca 0.05 -0.13 0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1x42 h GLU 69 Cb 0.95 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.92 1x42 h GLU 69 CO 0.09 0.87 -0.02 1.49 -1.00 0.00 0.00 179.01 180.43 1x42 h GLU 70 N 1.19 0.04 -0.39 2.33 4.81 -1.33 0.13 114.58 121.37 1x42 h GLU 70 Ca 0.30 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1x42 h GLU 70 Cb 0.02 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1x42 h GLU 70 CO -0.05 0.03 0.00 0.28 -0.73 0.00 0.00 179.01 178.54 1x42 n VAL 71 N -5.17 0.01 0.00 0.32 0.31 -0.93 -1.26 118.33 111.61 1x42 n VAL 71 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1x42 n VAL 71 Cb 0.13 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 1x42 n VAL 71 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1x42 n ARG 73 N 0.56 0.00 -0.13 5.55 1.74 0.46 -1.11 116.66 123.74 1x42 n ARG 73 Ca 0.00 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.03 1x42 n ARG 73 Cb 0.02 0.00 0.13 0.00 -1.02 0.00 0.00 32.46 31.59 1x42 n ARG 73 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1x42 h LYS 74 N 0.00 0.85 -0.12 5.56 3.64 -1.42 -2.48 116.57 122.60 1x42 h LYS 74 Ca 0.00 -0.24 -0.19 0.00 -1.27 0.00 0.00 60.65 58.95 1x42 h LYS 74 Cb 0.00 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1x42 h LYS 74 CO 0.00 0.86 -0.70 -0.07 -2.27 0.00 0.00 179.45 177.26 1x42 h LEU 75 N 0.79 0.62 -0.68 5.20 3.38 -1.38 -0.92 115.31 122.31 1x42 h LEU 75 Ca 0.15 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 1x42 h LEU 75 Cb 0.49 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1x42 h LEU 75 CO 0.02 1.14 0.29 0.00 0.09 0.00 0.00 178.44 179.99 1x42 h ALA 76 N 0.85 0.88 -0.27 1.53 0.00 -1.80 0.20 119.26 120.65 1x42 h ALA 76 Ca -0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1x42 h ALA 76 Cb 1.29 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1x42 h ALA 76 CO 0.13 0.48 0.06 1.49 0.00 0.00 0.00 179.25 181.41 1x42 h GLU 77 N 0.96 0.43 -0.74 0.00 4.81 -1.39 0.22 114.58 118.87 1x42 h GLU 77 Ca 0.23 -0.11 0.03 0.00 -0.13 0.00 0.00 59.36 59.39 1x42 h GLU 77 Cb 0.17 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.45 1x42 h GLU 77 CO -0.02 0.53 0.46 -0.22 -0.73 0.00 0.00 179.01 179.03 1x42 h LYS 78 N 0.26 0.87 -0.01 1.92 3.64 -0.83 -3.17 116.57 119.25 1x42 h LYS 78 Ca 0.08 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1x42 h LYS 78 Cb 0.29 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1x42 h LYS 78 CO 0.00 0.58 -0.66 0.66 -2.27 0.00 0.00 179.45 177.76 1x42 n TYR 79 N -4.64 0.00 -0.35 1.91 4.01 0.03 -4.99 117.16 113.13 1x42 n TYR 79 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 1x42 n TYR 79 Cb 0.09 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 1x42 n TYR 79 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1x42 n GLY 80 N 1.45 1.02 3.90 2.72 0.00 0.75 -5.07 105.19 109.96 1x42 n GLY 80 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1x42 n GLY 80 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x42 s PHE 81 N -2.87 3.38 0.07 1.61 -0.71 -1.05 -4.99 117.98 113.43 1x42 s PHE 81 Ca 0.00 0.90 -0.30 0.00 -1.04 0.00 0.00 56.93 56.49 1x42 s PHE 81 Cb 0.00 -2.78 -0.05 0.00 -1.21 0.00 0.00 43.02 38.98 1x42 s PHE 81 CO 0.00 -0.84 0.97 0.15 -1.34 0.00 0.00 175.22 174.15 1x42 s LYS 82 N -5.11 4.65 -0.06 1.99 -0.14 -1.26 -4.41 119.74 115.40 1x42 s LYS 82 Ca 0.55 1.44 -0.30 0.00 -1.36 0.00 0.00 55.97 56.29 1x42 s LYS 82 Cb -0.11 -3.40 -0.04 0.00 -1.68 0.00 0.00 37.83 32.60 1x42 s LYS 82 CO 0.49 0.13 1.37 -0.47 -0.76 0.00 0.00 175.35 176.10 1x42 s TYR 83 N 0.33 2.77 -0.00 3.18 5.04 -1.26 -4.95 117.35 122.46 1x42 s TYR 83 Ca 0.48 0.84 -0.30 0.00 -2.44 0.00 0.00 57.07 55.65 1x42 s TYR 83 Cb -0.23 -3.62 -0.06 0.00 0.35 0.00 0.00 41.96 38.41 1x42 s TYR 83 CO 0.29 -2.27 1.48 -1.25 -1.34 0.00 0.00 175.55 172.45 1x42 s PRO 84 N 2.93 4.25 0.49 4.97 0.04 -1.26 -4.91 135.00 141.52 1x42 s PRO 84 Ca 0.61 2.05 0.25 0.00 0.04 0.00 0.00 61.00 63.95 1x42 s PRO 84 Cb -0.28 -3.64 1.28 0.00 0.04 0.00 0.00 34.50 31.91 1x42 s PRO 84 CO 0.23 -0.65 2.01 0.93 0.04 0.00 0.00 177.00 179.56 1x42 h GLU 85 N 8.16 0.00 -0.97 4.56 4.39 -2.04 -1.88 114.58 126.80 1x42 h GLU 85 Ca -0.38 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 58.83 1x42 h GLU 85 Cb 1.18 0.00 -0.29 0.00 -0.10 0.00 0.00 28.75 29.54 1x42 h GLU 85 CO 0.92 0.16 0.61 0.27 -1.16 0.00 0.00 179.01 179.81 1x42 n ASN 86 N -3.67 3.87 -0.20 1.42 6.94 -1.26 -4.68 115.26 117.68 1x42 n ASN 86 Ca -0.02 -3.56 0.01 0.00 -0.02 0.00 0.00 54.58 51.00 1x42 n ASN 86 Cb 0.28 -0.83 0.12 0.00 -2.36 0.00 0.00 39.78 36.99 1x42 n ASN 86 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 1x42 h PHE 87 N 1.18 0.22 0.00 -2.53 3.04 -1.73 -1.43 116.94 115.69 1x42 h PHE 87 Ca 0.60 0.04 -0.04 0.00 3.98 0.00 0.00 57.97 62.54 1x42 h PHE 87 Cb 2.81 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 41.31 1x42 h PHE 87 CO 1.56 -0.03 -0.18 2.35 -2.02 0.00 0.00 178.31 179.99 1x42 h TRP 88 N 0.27 0.00 -0.35 0.41 -0.00 -1.86 0.66 115.95 115.08 1x42 h TRP 88 Ca 0.32 0.00 -0.17 0.00 -0.00 0.00 0.00 58.89 59.05 1x42 h TRP 88 Cb 0.48 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.64 1x42 h TRP 88 CO -0.24 0.18 -0.43 0.93 -0.00 0.00 0.00 178.44 178.88 1x42 h GLU 89 N 0.00 0.91 -0.47 2.65 5.08 -1.66 -2.19 114.58 118.90 1x42 h GLU 89 Ca -0.00 -0.51 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 1x42 h GLU 89 Cb 0.34 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1x42 h GLU 89 CO 0.02 1.16 0.22 0.82 -1.00 0.00 0.00 179.01 180.23 1x42 h ILE 90 N 0.72 1.19 -0.67 3.13 2.04 -0.33 -1.89 117.51 121.71 1x42 h ILE 90 Ca 0.05 -0.57 0.06 0.00 1.00 0.00 0.00 64.86 65.40 1x42 h ILE 90 Cb 1.03 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 37.75 1x42 h ILE 90 CO 0.10 0.22 0.37 -0.74 0.00 0.00 0.00 178.15 178.10 1x42 h HIS 91 N 0.62 0.68 -0.06 1.37 2.76 -0.77 -2.85 115.15 116.90 1x42 h HIS 91 Ca 0.16 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.32 1x42 h HIS 91 Cb 0.14 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 28.89 1x42 h HIS 91 CO -0.00 0.32 -0.11 1.25 -1.30 0.00 0.00 177.93 178.09 1x42 h LEU 92 N 0.68 0.20 -0.92 0.26 5.85 -1.26 -3.07 115.31 117.04 1x42 h LEU 92 Ca 0.30 -0.55 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1x42 h LEU 92 Cb 0.20 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1x42 h LEU 92 CO -0.19 0.71 0.00 -1.14 -0.34 0.00 0.00 178.44 177.48 1x42 n ARG 93 N -4.66 0.00 0.00 1.25 0.63 -0.72 -1.88 116.66 111.28 1x42 n ARG 93 Ca -0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.85 1x42 n ARG 93 Cb 0.35 -0.79 0.00 0.00 0.45 0.00 0.00 32.46 32.47 1x42 n ARG 93 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1x42 n HIS 95 N 0.23 0.00 -0.13 -0.14 8.25 -1.16 -2.46 115.22 119.81 1x42 n HIS 95 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 1x42 n HIS 95 Cb 0.00 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 1x42 n HIS 95 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1x42 h GLN 96 N 0.00 0.68 -0.03 -0.41 4.20 -1.68 -2.13 115.11 115.74 1x42 h GLN 96 Ca 0.00 -0.23 -0.24 0.00 0.06 0.00 0.00 58.65 58.24 1x42 h GLN 96 Cb 0.00 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 27.74 1x42 h GLN 96 CO 0.00 0.80 -0.94 -0.09 -0.67 0.00 0.00 178.83 177.93 1x42 h ARG 97 N 0.49 0.59 -0.03 1.46 9.65 -1.76 -3.38 114.38 121.41 1x42 h ARG 97 Ca 0.10 -0.59 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 1x42 h ARG 97 Cb 0.50 0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.24 1x42 h ARG 97 CO 0.02 1.21 0.00 0.66 2.80 0.00 0.00 179.97 184.66 1x42 n TYR 98 N -3.83 0.01 -1.96 2.20 4.01 -1.25 -5.01 117.16 111.34 1x42 n TYR 98 Ca -0.08 -0.01 -0.40 0.00 -0.16 0.00 0.00 57.90 57.25 1x42 n TYR 98 Cb 0.83 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.86 1x42 n TYR 98 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1x42 s GLY 99 N -1.10 2.92 -0.02 2.72 0.00 -0.80 -4.83 107.32 106.22 1x42 s GLY 99 Ca 0.16 1.33 0.01 0.00 0.00 0.00 0.00 44.72 46.21 1x42 s GLY 99 CO 0.17 1.92 -0.03 -1.83 0.00 0.00 0.00 173.10 173.33 1x42 s GLU 100 N -2.30 0.44 0.44 2.90 -1.05 -1.26 -5.03 118.70 112.84 1x42 s GLU 100 Ca 0.58 -0.08 -0.10 0.00 -0.15 0.00 0.00 54.97 55.22 1x42 s GLU 100 Cb -0.40 -0.49 -0.06 0.00 -0.44 0.00 0.00 34.13 32.74 1x42 s GLU 100 CO 0.52 -0.00 0.80 -0.51 0.95 0.00 0.00 175.26 177.01 1x42 s LEU 101 N 0.42 3.75 0.53 1.83 1.43 -1.26 -1.26 118.68 124.12 1x42 s LEU 101 Ca -0.05 1.13 -0.22 0.00 -1.03 0.00 0.00 54.13 53.97 1x42 s LEU 101 Cb -0.08 -4.04 -0.05 0.00 0.03 0.00 0.00 46.19 42.05 1x42 s LEU 101 CO -0.01 -0.47 1.29 -0.31 0.23 0.00 0.00 176.35 177.09 1x42 s TYR 102 N -2.50 2.45 0.44 0.29 2.02 -0.47 -4.73 117.35 114.85 1x42 s TYR 102 Ca 0.51 1.43 0.25 0.00 -0.37 0.00 0.00 57.07 58.90 1x42 s TYR 102 Cb -0.10 -3.66 1.28 0.00 -0.40 0.00 0.00 41.96 39.08 1x42 s TYR 102 CO 0.35 -2.46 1.74 -1.00 -1.57 0.00 0.00 175.55 172.61 1x42 h PRO 103 N 1.54 0.23 -0.05 -1.71 0.13 -1.96 -2.39 132.00 127.80 1x42 h PRO 103 Ca -0.50 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1x42 h PRO 103 Cb 1.29 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1x42 h PRO 103 CO 0.58 0.15 0.00 -0.85 -0.23 0.00 0.00 178.00 177.65 1x42 n GLU 104 N -4.55 2.00 0.14 0.86 0.00 -1.26 -4.63 120.64 113.20 1x42 n GLU 104 Ca 0.29 -1.46 -0.15 0.00 0.00 0.00 0.00 57.16 55.83 1x42 n GLU 104 Cb 1.10 -1.47 -0.09 0.00 0.00 0.00 0.00 31.44 30.98 1x42 n GLU 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1x42 h VAL 105 N 3.47 0.00 -0.56 3.84 2.07 -1.79 -1.64 116.25 121.64 1x42 h VAL 105 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1x42 h VAL 105 Cb 0.74 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 1x42 h VAL 105 CO 0.00 0.00 0.24 0.58 0.02 0.00 0.00 177.57 178.41 1x42 h VAL 106 N -0.74 0.85 -0.36 2.57 2.07 -1.83 0.36 116.25 119.17 1x42 h VAL 106 Ca -0.02 -0.15 0.07 0.00 0.82 0.00 0.00 66.70 67.42 1x42 h VAL 106 Cb 0.71 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 30.78 1x42 h VAL 106 CO -0.21 0.08 -0.06 -0.08 0.02 0.00 0.00 177.57 177.32 1x42 h GLU 107 N 0.44 0.03 -0.24 1.57 4.81 -1.82 0.44 114.58 119.81 1x42 h GLU 107 Ca 0.27 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.46 1x42 h GLU 107 Cb 0.27 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1x42 h GLU 107 CO -0.24 0.02 0.01 0.28 -0.73 0.00 0.00 179.01 178.35 1x42 h VAL 108 N 0.03 1.25 -0.14 0.32 2.07 -0.42 -0.38 116.25 118.98 1x42 h VAL 108 Ca 0.18 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1x42 h VAL 108 Cb 0.26 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1x42 h VAL 108 CO -0.35 0.27 0.08 -0.07 0.02 0.00 0.00 177.57 177.51 1x42 h LEU 109 N 0.19 0.17 -0.49 2.57 3.38 -0.67 -2.12 115.31 118.34 1x42 h LEU 109 Ca 0.07 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.01 1x42 h LEU 109 Cb 0.38 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 1x42 h LEU 109 CO 0.01 0.20 0.23 0.11 0.09 0.00 0.00 178.44 179.09 1x42 h LYS 110 N 0.13 0.44 -0.92 1.13 1.79 -0.87 -1.38 116.57 116.90 1x42 h LYS 110 Ca 0.05 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 1x42 h LYS 110 Cb 0.07 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 30.58 1x42 h LYS 110 CO -0.01 0.29 0.55 0.66 -1.08 0.00 0.00 179.45 179.86 1x42 h SER 111 N 0.46 1.11 0.74 0.86 4.64 -0.77 -2.85 113.55 117.74 1x42 h SER 111 Ca 0.22 -0.07 -0.13 0.00 -0.47 0.00 0.00 61.79 61.34 1x42 h SER 111 Cb 0.15 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 1x42 h SER 111 CO -0.17 0.85 -0.64 -0.07 -0.87 0.00 0.00 176.83 175.94 1x42 h LEU 112 N 1.27 0.00 -9.92 5.97 3.38 -1.04 -3.42 115.31 111.55 1x42 h LEU 112 Ca 0.33 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.75 1x42 h LEU 112 Cb -0.05 0.00 0.12 0.00 0.09 0.00 0.00 40.66 40.82 1x42 h LEU 112 CO -0.06 0.64 0.67 0.29 0.09 0.00 0.00 178.44 180.06 1x42 n LYS 113 N -3.68 2.32 0.00 1.13 4.76 -0.55 -0.80 118.16 121.34 1x42 n LYS 113 Ca -0.01 0.82 0.00 0.00 -2.87 0.00 0.00 58.31 56.25 1x42 n LYS 113 Cb 0.65 -2.57 0.00 0.00 -1.84 0.00 0.00 35.03 31.28 1x42 n LYS 113 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x42 n GLY 114 N 0.60 2.42 0.14 0.72 0.00 -1.26 -4.64 105.19 103.17 1x42 n GLY 114 Ca 0.04 -0.53 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 1x42 n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x42 h LYS 115 N 0.00 0.35 -5.23 1.61 6.56 -1.68 -3.48 116.57 114.69 1x42 h LYS 115 Ca 0.00 -0.59 -0.38 0.00 -1.06 0.00 0.00 60.65 58.62 1x42 h LYS 115 Cb 0.00 0.22 -0.14 0.00 -0.57 0.00 0.00 32.23 31.74 1x42 h LYS 115 CO 0.00 1.28 -0.71 0.71 -2.06 0.00 0.00 179.45 178.67 1x42 s TYR 116 N -2.57 1.46 0.01 -1.35 2.02 0.02 -4.99 117.35 111.95 1x42 s TYR 116 Ca -0.18 -0.72 -0.30 0.00 -0.37 0.00 0.00 57.07 55.49 1x42 s TYR 116 Cb 0.06 -0.74 -0.04 0.00 -0.40 0.00 0.00 41.96 40.83 1x42 s TYR 116 CO 0.82 0.15 1.16 -1.58 -1.57 0.00 0.00 175.55 174.54 1x42 s HIS 117 N -3.22 3.39 -0.28 2.71 5.65 -0.14 -4.46 115.29 118.93 1x42 s HIS 117 Ca 0.20 1.34 -0.06 0.00 0.25 0.00 0.00 55.06 56.79 1x42 s HIS 117 Cb 0.02 -3.37 0.00 0.00 -1.18 0.00 0.00 32.58 28.05 1x42 s HIS 117 CO 0.04 -1.08 0.06 0.08 -0.65 0.00 0.00 174.74 173.19 1x42 s VAL 118 N 1.44 3.92 0.00 0.89 1.01 -1.26 -0.93 120.40 125.47 1x42 s VAL 118 Ca 0.57 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.93 1x42 s VAL 118 Cb -0.26 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1x42 s VAL 118 CO 0.27 0.15 0.00 0.61 0.00 0.00 0.00 175.10 176.12 1x42 n GLY 119 N 4.86 5.27 0.00 4.51 0.00 -0.25 0.15 105.19 119.73 1x42 n GLY 119 Ca -0.15 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1x42 n GLY 119 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x42 n ILE 121 N 0.00 0.00 -3.79 -0.61 5.41 0.02 -0.05 119.36 120.34 1x42 n ILE 121 Ca 0.00 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.62 1x42 n ILE 121 Cb 0.00 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 38.84 1x42 n ILE 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1x42 s THR 122 N 0.00 0.06 -0.49 1.39 -1.32 -0.73 -3.94 115.64 110.61 1x42 s THR 122 Ca 0.00 -0.52 -0.27 0.00 -1.21 0.00 0.00 61.69 59.70 1x42 s THR 122 Cb 0.00 -0.57 0.03 0.00 -1.51 0.00 0.00 72.50 70.45 1x42 s THR 122 CO 0.00 -0.28 1.02 -1.81 -2.21 0.00 0.00 174.62 171.34 1x42 s ASP 123 N -1.31 6.51 0.15 8.08 -0.00 -1.26 -2.17 116.67 126.66 1x42 s ASP 123 Ca -0.14 0.16 -0.24 0.00 -0.00 0.00 0.00 52.55 52.34 1x42 s ASP 123 Cb -0.06 -2.49 0.07 0.00 -0.00 0.00 0.00 42.92 40.44 1x42 s ASP 123 CO 0.04 -1.19 0.62 -0.44 -0.00 0.00 0.00 175.17 174.20 1x42 s SER 124 N 2.48 -0.56 -0.21 0.27 0.01 -1.26 -4.90 113.70 109.54 1x42 s SER 124 Ca 0.40 0.01 -0.25 0.00 1.31 0.00 0.00 55.95 57.43 1x42 s SER 124 Cb -0.09 0.58 -0.01 0.00 0.21 0.00 0.00 66.02 66.71 1x42 s SER 124 CO 0.27 -0.94 0.82 -1.81 0.41 0.00 0.00 173.24 171.99 1x42 s ASP 125 N -2.71 6.88 0.14 2.44 -0.00 -1.26 -3.46 116.67 118.70 1x42 s ASP 125 Ca 0.01 1.08 -0.23 0.00 -0.00 0.00 0.00 52.55 53.42 1x42 s ASP 125 Cb -0.01 -2.44 -0.01 0.00 -0.00 0.00 0.00 42.92 40.46 1x42 s ASP 125 CO -0.12 -0.45 1.65 0.74 -0.00 0.00 0.00 175.17 176.99 1x42 h THR 126 N 5.31 0.51 -0.30 -1.27 2.02 -1.98 -0.88 112.91 116.32 1x42 h THR 126 Ca -0.26 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1x42 h THR 126 Cb 1.11 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1x42 h THR 126 CO 0.85 0.00 0.20 -0.08 0.37 0.00 0.00 175.52 176.86 1x42 h GLU 127 N -0.23 0.40 -0.41 6.66 4.81 -2.05 -2.55 114.58 121.21 1x42 h GLU 127 Ca 0.10 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1x42 h GLU 127 Cb 0.39 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1x42 h GLU 127 CO -0.28 0.26 0.25 -0.92 -0.73 0.00 0.00 179.01 177.59 1x42 h TYR 128 N 0.41 0.53 0.00 0.92 3.20 -1.96 -2.29 116.97 117.78 1x42 h TYR 128 Ca 0.11 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1x42 h TYR 128 Cb -0.05 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.05 1x42 h TYR 128 CO -0.06 0.36 0.00 -0.11 -1.64 0.00 0.00 178.16 176.72 1x42 n LEU 129 N -4.78 0.00 0.00 2.82 7.94 -0.35 -0.67 117.00 121.97 1x42 n LEU 129 Ca 0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 1x42 n LEU 129 Cb 0.04 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.99 1x42 n LEU 129 CO 0.35 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.63 1x42 n ALA 131 N 0.70 0.00 -0.11 1.96 0.00 -0.86 -0.42 120.51 121.78 1x42 n ALA 131 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1x42 n ALA 131 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1x42 n ALA 131 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1x42 h HIS 132 N 0.00 0.56 -0.09 0.00 6.17 -1.17 -2.07 115.15 118.55 1x42 h HIS 132 Ca 0.00 -0.08 -0.10 0.00 0.71 0.00 0.00 60.37 60.90 1x42 h HIS 132 Cb 0.00 -0.15 -0.01 0.00 2.52 0.00 0.00 27.41 29.76 1x42 h HIS 132 CO 0.00 0.62 -0.40 -0.07 0.71 0.00 0.00 177.93 178.79 1x42 h LEU 133 N 0.35 0.21 -0.19 0.26 3.38 -1.00 -2.13 115.31 116.19 1x42 h LEU 133 Ca 0.09 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1x42 h LEU 133 Cb 0.36 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1x42 h LEU 133 CO 0.01 0.59 -0.02 -0.78 0.09 0.00 0.00 178.44 178.32 1x42 h ASP 134 N 0.17 0.36 0.06 -0.43 1.82 -1.77 -1.13 116.42 115.51 1x42 h ASP 134 Ca 0.02 -0.34 -0.02 0.00 -0.39 0.00 0.00 57.03 56.29 1x42 h ASP 134 Cb 0.78 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.69 1x42 h ASP 134 CO 0.06 0.61 -0.09 0.00 -1.61 0.00 0.00 179.24 178.22 1x42 h ALA 135 N 0.76 1.78 0.00 -0.78 0.00 -1.12 0.04 119.26 119.92 1x42 h ALA 135 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1x42 h ALA 135 Cb 0.45 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1x42 h ALA 135 CO 0.01 0.17 0.00 1.28 0.00 0.00 0.00 179.25 180.71 1x42 n LEU 136 N -4.40 0.77 0.00 0.00 4.32 -0.82 -4.95 117.00 111.92 1x42 n LEU 136 Ca -0.02 0.57 0.00 0.00 -0.02 0.00 0.00 56.01 56.54 1x42 n LEU 136 Cb 0.18 -0.33 0.00 0.00 -1.62 0.00 0.00 43.42 41.65 1x42 n LEU 136 CO 0.36 -0.18 0.00 0.61 -1.22 0.00 0.00 177.39 176.96 1x42 n GLY 137 N 1.31 0.39 0.01 -0.72 0.00 -0.00 -4.95 105.19 101.22 1x42 n GLY 137 Ca 0.06 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1x42 n GLY 137 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1x42 n ILE 138 N -3.06 0.00 -0.33 -0.61 -5.35 -0.66 -4.73 119.36 104.62 1x42 n ILE 138 Ca 0.00 -0.50 0.16 0.00 -0.27 0.00 0.00 62.75 62.14 1x42 n ILE 138 Cb 0.04 1.00 0.36 0.00 -1.74 0.00 0.00 39.64 39.30 1x42 n ILE 138 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1x42 h LYS 139 N 0.04 0.48 -0.00 6.28 3.64 -1.85 0.26 116.57 125.42 1x42 h LYS 139 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1x42 h LYS 139 Cb 0.01 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1x42 h LYS 139 CO 0.00 0.32 0.00 -0.25 -2.27 0.00 0.00 179.45 177.25 1x42 n ASP 140 N -4.96 0.10 -0.41 4.20 8.00 -1.26 -3.35 116.55 118.87 1x42 n ASP 140 Ca 0.25 -1.13 0.12 0.00 0.71 0.00 0.00 54.79 54.74 1x42 n ASP 140 Cb 0.72 -0.00 0.50 0.00 -0.02 0.00 0.00 41.12 42.32 1x42 n ASP 140 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1x42 n LEU 141 N -0.87 1.25 -4.66 0.64 4.77 0.92 -4.87 117.00 114.18 1x42 n LEU 141 Ca 0.21 -0.48 -0.35 0.00 -0.03 0.00 0.00 56.01 55.37 1x42 n LEU 141 Cb 0.11 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.06 1x42 n LEU 141 CO 0.16 0.24 -0.32 -0.36 -1.33 0.00 0.00 177.39 175.78 1x42 s PHE 142 N -1.91 3.11 -0.03 -1.77 0.40 -1.21 -4.89 117.98 111.69 1x42 s PHE 142 Ca 0.35 0.15 0.11 0.00 -0.60 0.00 0.00 56.93 56.95 1x42 s PHE 142 Cb 0.19 -1.76 -0.07 0.00 0.51 0.00 0.00 43.02 41.88 1x42 s PHE 142 CO 0.29 0.44 1.35 -0.44 0.70 0.00 0.00 175.22 177.57 1x42 h ASP 143 N 5.10 0.00 -4.95 1.36 3.45 -0.63 -3.47 116.42 117.29 1x42 h ASP 143 Ca -0.50 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 56.86 1x42 h ASP 143 Cb 1.19 0.00 -0.20 0.00 -0.56 0.00 0.00 39.33 39.76 1x42 h ASP 143 CO 0.54 0.74 -0.12 -0.94 -1.57 0.00 0.00 179.24 177.89 1x42 s SER 144 N -6.56 -0.35 -0.05 6.45 1.04 -1.19 -5.01 113.70 108.03 1x42 s SER 144 Ca 0.02 0.32 -0.01 0.00 0.48 0.00 0.00 55.95 56.77 1x42 s SER 144 Cb 0.09 0.41 0.03 0.00 0.10 0.00 0.00 66.02 66.64 1x42 s SER 144 CO 0.78 -0.49 -0.00 -0.63 0.98 0.00 0.00 173.24 173.88 1x42 s ILE 145 N -1.22 0.31 -0.05 -1.02 1.01 -1.26 -4.35 121.20 114.63 1x42 s ILE 145 Ca -0.12 0.10 0.04 0.00 0.00 0.00 0.00 60.65 60.67 1x42 s ILE 145 Cb -0.03 -0.44 -0.00 0.00 0.01 0.00 0.00 42.46 41.99 1x42 s ILE 145 CO 0.06 0.22 -0.17 -0.89 0.00 0.00 0.00 174.94 174.16 1x42 s THR 146 N 1.57 1.41 0.29 2.92 2.01 -1.26 -5.04 115.64 117.54 1x42 s THR 146 Ca -0.02 -0.70 0.07 0.00 0.31 0.00 0.00 61.69 61.36 1x42 s THR 146 Cb -0.13 -1.21 -0.06 0.00 0.01 0.00 0.00 72.50 71.11 1x42 s THR 146 CO -0.03 0.41 -0.07 0.42 -0.69 0.00 0.00 174.62 174.65 1x42 s THR 147 N 0.09 1.80 0.36 -0.82 -4.23 -1.26 -1.78 115.64 109.79 1x42 s THR 147 Ca -0.05 -2.15 0.14 0.00 -1.18 0.00 0.00 61.69 58.45 1x42 s THR 147 Cb -0.12 -2.49 0.11 0.00 1.34 0.00 0.00 72.50 71.34 1x42 s THR 147 CO 0.02 -0.28 1.84 0.77 -0.54 0.00 0.00 174.62 176.43 1x42 h SER 148 N 2.22 0.00 -0.56 3.99 4.64 -1.57 -1.97 113.55 120.31 1x42 h SER 148 Ca -0.40 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.84 1x42 h SER 148 Cb 1.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 1x42 h SER 148 CO 0.68 0.36 0.05 -0.08 -0.87 0.00 0.00 176.83 176.97 1x42 h GLU 149 N 0.00 0.98 -0.06 4.77 4.81 -1.85 0.47 114.58 123.70 1x42 h GLU 149 Ca -0.00 -0.27 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 1x42 h GLU 149 Cb 0.66 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 1x42 h GLU 149 CO 0.05 0.93 -0.06 0.93 -0.73 0.00 0.00 179.01 180.13 1x42 h GLU 150 N 0.92 0.14 0.00 1.92 5.08 -1.73 -3.25 114.58 117.66 1x42 h GLU 150 Ca 0.18 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 1x42 h GLU 150 Cb 0.46 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1x42 h GLU 150 CO 0.02 0.59 -0.44 0.00 -1.00 0.00 0.00 179.01 178.18 1x42 h ALA 151 N 0.55 1.04 0.00 3.43 0.00 -1.29 -3.47 119.26 119.51 1x42 h ALA 151 Ca 0.01 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1x42 h ALA 151 Cb 0.56 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1x42 h ALA 151 CO 0.01 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.23 1x42 n GLY 152 N 0.14 0.73 3.15 0.00 0.00 0.16 -4.84 105.19 104.54 1x42 n GLY 152 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 1x42 n GLY 152 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x42 s PHE 153 N -2.49 0.08 0.21 1.61 0.08 -1.08 -1.07 117.98 115.32 1x42 s PHE 153 Ca 0.00 -0.28 -0.10 0.00 0.12 0.00 0.00 56.93 56.67 1x42 s PHE 153 Cb 0.00 -0.06 -0.07 0.00 -0.57 0.00 0.00 43.02 42.32 1x42 s PHE 153 CO 0.00 -0.39 0.53 -0.06 -0.10 0.00 0.00 175.22 175.20 1x42 s PHE 154 N -2.31 3.45 0.74 0.36 2.99 -0.68 -4.47 117.98 118.07 1x42 s PHE 154 Ca -0.07 0.86 -0.15 0.00 0.00 0.00 0.00 56.93 57.56 1x42 s PHE 154 Cb -0.02 -2.24 0.03 0.00 0.00 0.00 0.00 43.02 40.78 1x42 s PHE 154 CO -0.03 0.30 1.09 1.63 -0.00 0.00 0.00 175.22 178.21 1x42 n LYS 155 N -0.02 0.48 -0.40 0.44 5.02 -1.26 -1.57 118.16 120.86 1x42 n LYS 155 Ca -0.00 0.23 -0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1x42 n LYS 155 Cb 0.52 -2.34 0.14 0.00 -0.02 0.00 0.00 35.03 33.34 1x42 n LYS 155 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1x42 n PRO 156 N -2.33 2.34 -1.67 1.97 -0.04 -1.26 -1.15 135.00 132.86 1x42 n PRO 156 Ca 0.14 -1.26 -0.44 0.00 -0.04 0.00 0.00 63.50 61.89 1x42 n PRO 156 Cb 0.50 -1.74 -0.02 0.00 -0.04 0.00 0.00 33.50 32.20 1x42 n PRO 156 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1x42 n HIS 157 N 0.16 2.07 0.25 0.54 -0.00 -0.61 -4.64 115.22 113.00 1x42 n HIS 157 Ca 0.14 0.53 0.10 0.00 0.46 0.00 0.00 57.72 58.95 1x42 n HIS 157 Cb 0.71 -2.41 0.67 0.00 -0.12 0.00 0.00 29.99 28.84 1x42 n HIS 157 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1x42 h PRO 158 N 3.19 0.00 -0.77 1.57 0.13 -1.90 -3.21 132.00 131.01 1x42 h PRO 158 Ca -0.45 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.74 1x42 h PRO 158 Cb 1.29 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.37 1x42 h PRO 158 CO 0.68 0.12 0.51 0.00 -0.23 0.00 0.00 178.00 179.08 1x42 h ARG 159 N 0.00 0.84 -0.65 0.86 2.47 -1.95 0.51 114.38 116.46 1x42 h ARG 159 Ca -0.00 -0.05 -0.07 0.00 -1.26 0.00 0.00 59.98 58.60 1x42 h ARG 159 Cb 0.27 -0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 28.37 1x42 h ARG 159 CO 0.02 0.56 0.13 0.97 0.56 0.00 0.00 179.97 182.20 1x42 h ILE 160 N 0.87 1.26 -0.24 2.04 2.10 -1.83 -1.04 117.51 120.67 1x42 h ILE 160 Ca 0.33 -0.99 -0.16 0.00 1.08 0.00 0.00 64.86 65.12 1x42 h ILE 160 Cb 0.18 0.62 0.00 0.00 -1.09 0.00 0.00 36.82 36.53 1x42 h ILE 160 CO -0.11 0.37 -0.49 -0.26 -1.08 0.00 0.00 178.15 176.59 1x42 h PHE 161 N 1.00 0.94 -0.77 2.19 0.04 -1.59 -2.67 116.94 116.09 1x42 h PHE 161 Ca 0.20 -0.35 0.04 0.00 2.80 0.00 0.00 57.97 60.66 1x42 h PHE 161 Cb 0.40 -0.17 -0.05 0.00 2.20 0.00 0.00 35.95 38.33 1x42 h PHE 161 CO 0.03 1.14 0.48 0.93 -0.60 0.00 0.00 178.31 180.29 1x42 h GLU 162 N 0.48 0.90 -0.62 1.51 5.08 -0.64 -0.44 114.58 120.85 1x42 h GLU 162 Ca 0.01 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 1x42 h GLU 162 Cb 1.09 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 1x42 h GLU 162 CO 0.11 0.60 0.06 1.25 -1.00 0.00 0.00 179.01 180.03 1x42 h LEU 163 N 0.93 1.00 -0.42 1.33 5.85 -1.14 -0.87 115.31 121.98 1x42 h LEU 163 Ca 0.31 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1x42 h LEU 163 Cb 0.05 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 1x42 h LEU 163 CO -0.12 1.01 0.12 0.00 -0.34 0.00 0.00 178.44 179.10 1x42 h ALA 164 N 1.10 0.56 -0.91 1.25 0.00 -1.05 -0.11 119.26 120.10 1x42 h ALA 164 Ca 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1x42 h ALA 164 Cb 0.47 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1x42 h ALA 164 CO 0.02 0.23 0.51 -0.07 0.00 0.00 0.00 179.25 179.93 1x42 h LEU 165 N 0.55 1.12 -0.40 0.00 3.38 -0.79 -2.13 115.31 117.05 1x42 h LEU 165 Ca 0.13 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1x42 h LEU 165 Cb 0.29 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1x42 h LEU 165 CO -0.00 0.89 -0.31 0.11 0.09 0.00 0.00 178.44 179.22 1x42 h LYS 166 N 1.26 0.92 -0.62 1.13 1.57 -0.88 -0.94 116.57 119.01 1x42 h LYS 166 Ca 0.32 -0.45 0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1x42 h LYS 166 Cb 0.01 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1x42 h LYS 166 CO -0.05 1.11 0.41 0.87 -0.57 0.00 0.00 179.45 181.21 1x42 h LYS 167 N 0.74 0.70 0.00 3.15 1.57 -0.73 -2.14 116.57 119.85 1x42 h LYS 167 Ca 0.07 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1x42 h LYS 167 Cb 0.90 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1x42 h LYS 167 CO 0.08 0.46 -0.43 0.00 -0.57 0.00 0.00 179.45 178.99 1x42 n ALA 168 N -2.46 3.07 -2.97 3.86 0.00 -0.83 -4.97 120.51 116.22 1x42 n ALA 168 Ca 0.08 -0.26 -0.12 0.00 0.00 0.00 0.00 53.44 53.14 1x42 n ALA 168 Cb 0.14 -1.21 0.05 0.00 0.00 0.00 0.00 19.45 18.42 1x42 n ALA 168 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x42 n GLY 169 N 1.44 0.04 3.02 0.00 0.00 -0.43 -5.05 105.19 104.21 1x42 n GLY 169 Ca 0.05 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 1x42 n GLY 169 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1x42 s VAL 170 N -3.19 0.21 0.52 1.61 -7.23 -0.79 -5.06 120.40 106.47 1x42 s VAL 170 Ca 0.16 -1.13 -0.08 0.00 -1.81 0.00 0.00 61.98 59.12 1x42 s VAL 170 Cb -0.07 -0.58 -0.04 0.00 0.56 0.00 0.00 36.38 36.24 1x42 s VAL 170 CO 0.42 -0.59 0.87 -1.59 -0.31 0.00 0.00 175.10 173.90 1x42 s LYS 171 N -2.00 3.60 0.25 4.82 -2.85 -1.26 -4.51 119.74 117.78 1x42 s LYS 171 Ca -0.10 0.43 -0.03 0.00 -1.00 0.00 0.00 55.97 55.27 1x42 s LYS 171 Cb -0.06 -2.27 0.46 0.00 -2.06 0.00 0.00 37.83 33.89 1x42 s LYS 171 CO -0.03 -0.31 1.78 0.78 0.10 0.00 0.00 175.35 177.67 1x42 h GLY 172 N 0.17 1.28 2.00 0.59 0.00 -1.88 -0.26 103.07 104.97 1x42 h GLY 172 Ca -0.46 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 46.61 1x42 h GLY 172 CO 0.62 0.02 0.00 1.05 0.00 0.00 0.00 176.54 178.23 1x42 h GLU 173 N 0.66 0.00 -0.62 4.80 9.09 -1.71 -0.09 114.58 126.71 1x42 h GLU 173 Ca 0.42 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.83 1x42 h GLU 173 Cb 0.52 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.62 1x42 h GLU 173 CO -0.32 0.00 0.00 0.39 0.05 0.00 0.00 179.01 179.13 1x42 n GLU 174 N -2.89 3.06 -4.17 1.06 1.02 -0.11 -4.79 120.64 113.84 1x42 n GLU 174 Ca -0.02 -2.20 -0.16 0.00 -0.02 0.00 0.00 57.16 54.76 1x42 n GLU 174 Cb 0.09 -1.73 -0.11 0.00 -0.02 0.00 0.00 31.44 29.67 1x42 n GLU 174 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x42 s ALA 175 N -1.74 1.10 0.00 0.62 0.00 -0.05 -0.78 121.76 120.91 1x42 s ALA 175 Ca 0.39 -1.09 0.06 0.00 0.00 0.00 0.00 51.96 51.33 1x42 s ALA 175 Cb 0.25 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.33 1x42 s ALA 175 CO 0.20 0.04 -0.18 0.08 0.00 0.00 0.00 175.76 175.89 1x42 s VAL 176 N -1.93 2.73 -0.08 0.00 1.01 -0.48 -1.33 120.40 120.31 1x42 s VAL 176 Ca 0.02 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 61.00 1x42 s VAL 176 Cb -0.06 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.23 1x42 s VAL 176 CO 0.01 0.46 -0.20 -0.47 0.00 0.00 0.00 175.10 174.90 1x42 s TYR 177 N -0.81 2.17 -0.22 5.22 5.04 0.00 -0.35 117.35 128.41 1x42 s TYR 177 Ca 0.13 -0.82 -0.03 0.00 -2.44 0.00 0.00 57.07 53.90 1x42 s TYR 177 Cb -0.10 -1.47 0.00 0.00 0.35 0.00 0.00 41.96 40.73 1x42 s TYR 177 CO 0.03 -0.33 -0.06 0.08 -1.34 0.00 0.00 175.55 173.92 1x42 s VAL 178 N 0.34 3.16 0.33 3.14 1.01 0.52 -1.13 120.40 127.77 1x42 s VAL 178 Ca -0.15 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 1x42 s VAL 178 Cb -0.16 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 1x42 s VAL 178 CO 0.06 0.40 0.42 -0.83 0.00 0.00 0.00 175.10 175.15 1x42 s GLY 179 N 1.44 1.63 0.00 4.51 0.00 -0.85 -1.16 107.32 112.88 1x42 s GLY 179 Ca 0.05 -1.62 0.06 0.00 0.00 0.00 0.00 44.72 43.21 1x42 s GLY 179 CO -0.05 -1.11 0.97 2.09 0.00 0.00 0.00 173.10 175.01 1x42 n ASP 180 N -1.34 2.15 -4.07 1.64 5.75 -1.26 -0.74 116.55 118.68 1x42 n ASP 180 Ca 0.02 -1.71 -0.32 0.00 -0.01 0.00 0.00 54.79 52.77 1x42 n ASP 180 Cb 0.62 -0.08 -0.15 0.00 -1.03 0.00 0.00 41.12 40.48 1x42 n ASP 180 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1x42 s ASN 181 N -0.82 4.55 0.25 -1.12 3.84 -1.26 -4.85 114.94 115.53 1x42 s ASN 181 Ca 0.11 -1.54 -0.05 0.00 0.21 0.00 0.00 52.86 51.59 1x42 s ASN 181 Cb 0.06 -1.58 0.46 0.00 -0.55 0.00 0.00 41.25 39.65 1x42 s ASN 181 CO 0.09 -0.24 1.67 -0.65 -2.79 0.00 0.00 177.10 175.18 1x42 h PRO 182 N 7.76 0.21 0.03 0.43 0.11 -1.91 0.12 132.00 138.75 1x42 h PRO 182 Ca -0.16 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.93 1x42 h PRO 182 Cb 1.04 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1x42 h PRO 182 CO 0.48 0.14 -0.01 0.28 -0.21 0.00 0.00 178.00 178.68 1x42 h VAL 183 N 0.22 1.43 -0.30 3.15 2.07 -1.95 0.64 116.25 121.51 1x42 h VAL 183 Ca 0.42 -1.74 -0.10 0.00 0.82 0.00 0.00 66.70 66.10 1x42 h VAL 183 Cb 0.73 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 33.03 1x42 h VAL 183 CO -0.55 0.42 -0.22 0.11 0.02 0.00 0.00 177.57 177.35 1x42 h LYS 184 N -0.83 0.67 0.00 1.57 1.57 -1.94 -2.61 116.57 115.00 1x42 h LYS 184 Ca -0.00 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 1x42 h LYS 184 Cb 0.72 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1x42 h LYS 184 CO 0.01 0.93 -0.14 -0.44 -0.57 0.00 0.00 179.45 179.24 1x42 h ASP 185 N 0.42 0.00 -0.29 0.86 3.45 -0.91 -2.97 116.42 116.97 1x42 h ASP 185 Ca 0.06 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.49 1x42 h ASP 185 Cb 0.77 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.53 1x42 h ASP 185 CO 0.06 0.32 0.09 0.00 -1.57 0.00 0.00 179.24 178.13 1x42 h GLY 187 N 0.31 0.61 0.92 0.00 0.00 -0.52 -1.96 103.07 102.43 1x42 h GLY 187 Ca 0.09 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 1x42 h GLY 187 CO -0.00 0.27 0.04 -1.33 0.00 0.00 0.00 176.54 175.52 1x42 h GLY 188 N 0.52 0.65 1.67 4.60 0.00 -1.32 -3.10 103.07 106.09 1x42 h GLY 188 Ca 0.14 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 46.93 1x42 h GLY 188 CO -0.02 0.41 -0.28 1.48 0.00 0.00 0.00 176.54 178.13 1x42 h SER 189 N 0.43 0.39 -0.01 0.19 4.64 -1.03 -2.96 113.55 115.19 1x42 h SER 189 Ca 0.11 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 1x42 h SER 189 Cb 0.39 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1x42 h SER 189 CO 0.01 0.66 -0.00 0.50 -0.87 0.00 0.00 176.83 177.13 1x42 h LYS 190 N 0.34 0.07 0.00 4.77 1.63 -1.28 -1.82 116.57 120.28 1x42 h LYS 190 Ca 0.05 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1x42 h LYS 190 Cb 0.67 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.29 1x42 h LYS 190 CO 0.05 0.08 -0.01 -0.91 -3.45 0.00 0.00 179.45 175.21 1x42 h ASN 191 N 0.07 0.00 -0.63 4.20 2.35 -1.50 0.07 115.58 120.14 1x42 h ASN 191 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1x42 h ASN 191 Cb 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1x42 h ASN 191 CO 0.00 0.01 0.00 0.18 -1.65 0.00 0.00 177.43 175.97 1x42 n LEU 192 N -3.14 3.77 -1.34 1.61 7.99 -0.69 -5.11 117.00 120.09 1x42 n LEU 192 Ca -0.02 -1.81 0.00 0.00 -0.01 0.00 0.00 56.01 54.17 1x42 n LEU 192 Cb 0.17 -0.42 0.00 0.00 -0.11 0.00 0.00 43.42 43.07 1x42 n LEU 192 CO 0.24 0.91 0.00 0.61 -1.51 0.00 0.00 177.39 177.63 1x42 n GLY 193 N 1.62 -0.36 3.02 -0.72 0.00 0.01 -3.89 105.19 104.87 1x42 n GLY 193 Ca 0.23 -0.21 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 1x42 n GLY 193 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x42 s THR 195 N -1.91 1.26 -0.09 2.61 2.01 -0.44 -3.19 115.64 115.88 1x42 s THR 195 Ca 0.00 -0.52 -0.05 0.00 0.31 0.00 0.00 61.69 61.43 1x42 s THR 195 Cb 0.00 -1.16 -0.04 0.00 0.01 0.00 0.00 72.50 71.31 1x42 s THR 195 CO 0.00 0.39 0.12 -0.94 -0.69 0.00 0.00 174.62 173.50 1x42 s SER 196 N 0.90 6.13 -0.16 3.53 1.04 -1.26 -0.82 113.70 123.06 1x42 s SER 196 Ca -0.10 0.37 -0.00 0.00 0.48 0.00 0.00 55.95 56.71 1x42 s SER 196 Cb -0.15 -1.92 0.04 0.00 0.10 0.00 0.00 66.02 64.08 1x42 s SER 196 CO 0.01 0.38 -0.08 -0.63 0.98 0.00 0.00 173.24 173.90 1x42 s ILE 197 N -1.05 1.27 -0.09 -1.02 1.01 -0.28 -1.61 121.20 119.42 1x42 s ILE 197 Ca 0.17 -0.67 -0.21 0.00 0.00 0.00 0.00 60.65 59.93 1x42 s ILE 197 Cb -0.12 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.94 1x42 s ILE 197 CO 0.06 0.20 0.61 -0.22 0.00 0.00 0.00 174.94 175.59 1x42 s LEU 198 N 1.57 4.29 -0.31 2.97 2.96 0.12 -2.01 118.68 128.29 1x42 s LEU 198 Ca 0.01 1.02 -0.17 0.00 -0.22 0.00 0.00 54.13 54.78 1x42 s LEU 198 Cb -0.15 -2.92 -0.02 0.00 0.50 0.00 0.00 46.19 43.60 1x42 s LEU 198 CO -0.08 -0.07 0.45 -0.22 -1.32 0.00 0.00 176.35 175.10 1x42 s LEU 199 N 0.77 4.21 -0.45 -0.68 2.96 0.08 -0.54 118.68 125.03 1x42 s LEU 199 Ca 0.33 0.14 0.03 0.00 -0.22 0.00 0.00 54.13 54.41 1x42 s LEU 199 Cb -0.17 -2.52 0.16 0.00 0.50 0.00 0.00 46.19 44.17 1x42 s LEU 199 CO 0.15 -0.34 0.34 -0.62 -1.32 0.00 0.00 176.35 174.56 1x42 s ASP 200 N 1.68 2.44 0.30 3.68 -1.08 -0.14 -4.52 116.67 119.02 1x42 s ASP 200 Ca 0.17 -3.02 0.00 0.00 -0.52 0.00 0.00 52.55 49.18 1x42 s ASP 200 Cb -0.16 -0.69 0.50 0.00 -1.46 0.00 0.00 42.92 41.12 1x42 s ASP 200 CO 0.11 -0.19 1.91 0.03 0.52 0.00 0.00 175.17 177.56 1x42 h ARG 201 N 5.92 1.03 -0.50 4.34 3.08 -1.76 -2.89 114.38 123.60 1x42 h ARG 201 Ca 0.19 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1x42 h ARG 201 Cb 0.89 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1x42 h ARG 201 CO 0.42 0.68 0.00 1.63 -1.07 0.00 0.00 179.97 181.63 1x42 n LYS 202 N -4.48 2.92 -3.58 0.04 4.76 -1.26 -4.89 118.16 111.68 1x42 n LYS 202 Ca 0.13 -2.39 -0.25 0.00 -2.87 0.00 0.00 58.31 52.94 1x42 n LYS 202 Cb 0.18 -1.47 0.05 0.00 -1.84 0.00 0.00 35.03 31.95 1x42 n LYS 202 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x42 n GLY 203 N 0.88 -0.88 0.18 0.72 0.00 -1.09 -4.91 105.19 100.09 1x42 n GLY 203 Ca 0.18 0.42 0.06 0.00 0.00 0.00 0.00 46.02 46.67 1x42 n GLY 203 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x42 n GLU 204 N -3.96 2.42 -0.57 1.61 1.02 -1.26 -4.63 120.64 115.28 1x42 n GLU 204 Ca -0.13 -0.45 0.06 0.00 -0.02 0.00 0.00 57.16 56.62 1x42 n GLU 204 Cb 0.62 -1.10 0.19 0.00 -0.02 0.00 0.00 31.44 31.14 1x42 n GLU 204 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1x42 n LYS 205 N -0.55 1.49 0.02 3.49 5.02 -1.26 -4.80 118.16 121.57 1x42 n LYS 205 Ca 0.04 -3.17 0.21 0.00 -2.02 0.00 0.00 58.31 53.37 1x42 n LYS 205 Cb 0.22 -1.54 0.72 0.00 -0.02 0.00 0.00 35.03 34.41 1x42 n LYS 205 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x42 h ARG 206 N 0.88 0.00 0.00 1.97 3.08 -2.00 0.83 114.38 119.15 1x42 h ARG 206 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1x42 h ARG 206 Cb 1.03 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.08 1x42 h ARG 206 CO 0.00 0.00 -0.02 1.49 -1.07 0.00 0.00 179.97 180.38 1x42 h GLU 207 N 0.00 0.00 -0.12 0.04 4.81 -1.98 -2.70 114.58 114.63 1x42 h GLU 207 Ca 0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1x42 h GLU 207 Cb 1.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1x42 h GLU 207 CO -0.00 0.02 0.00 1.19 -0.73 0.00 0.00 179.01 179.48 1x42 n PHE 208 N -3.25 0.15 0.22 0.92 3.01 0.28 -4.71 117.46 114.07 1x42 n PHE 208 Ca -0.02 -0.35 0.13 0.00 1.01 0.00 0.00 57.45 58.22 1x42 n PHE 208 Cb 0.14 -0.03 0.74 0.00 -0.01 0.00 0.00 39.48 40.32 1x42 n PHE 208 CO 0.00 0.00 0.00 -1.49 1.01 0.00 0.00 176.76 176.28 1x42 h TRP 209 N 0.98 0.00 0.00 1.38 4.06 -1.37 -1.28 115.95 119.71 1x42 h TRP 209 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1x42 h TRP 209 Cb 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.65 1x42 h TRP 209 CO 0.08 0.00 0.00 -0.40 -3.56 0.00 0.00 178.44 174.56 1x42 n ASP 210 N -4.26 0.16 0.10 -3.49 5.75 -1.26 -1.67 116.55 111.87 1x42 n ASP 210 Ca -0.00 0.55 0.13 0.00 -0.01 0.00 0.00 54.79 55.45 1x42 n ASP 210 Cb 0.20 -0.58 0.42 0.00 -1.03 0.00 0.00 41.12 40.13 1x42 n ASP 210 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1x42 n LYS 211 N -1.68 0.24 -4.28 0.11 4.76 -0.48 -4.89 118.16 111.95 1x42 n LYS 211 Ca 0.02 0.20 -0.26 0.00 -2.87 0.00 0.00 58.31 55.40 1x42 n LYS 211 Cb 0.13 -1.78 -0.09 0.00 -1.84 0.00 0.00 35.03 31.45 1x42 n LYS 211 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1x42 h ASP 213 N 2.81 0.76 -4.88 0.00 3.45 -1.81 -3.46 116.42 113.29 1x42 h ASP 213 Ca -0.47 -0.61 -0.22 0.00 0.43 0.00 0.00 57.03 56.16 1x42 h ASP 213 Cb 1.21 -0.22 -0.21 0.00 -0.56 0.00 0.00 39.33 39.55 1x42 h ASP 213 CO 0.55 1.25 -0.71 -0.36 -1.57 0.00 0.00 179.24 178.40 1x42 s PHE 214 N -3.80 0.47 -0.05 4.55 0.40 -0.63 -5.01 117.98 113.91 1x42 s PHE 214 Ca -0.12 -0.54 0.05 0.00 -0.60 0.00 0.00 56.93 55.72 1x42 s PHE 214 Cb 0.07 -0.30 -0.01 0.00 0.51 0.00 0.00 43.02 43.29 1x42 s PHE 214 CO 0.86 -0.15 -0.20 0.42 0.70 0.00 0.00 175.22 176.85 1x42 s ILE 215 N -1.55 1.68 0.08 0.64 -1.09 -1.26 0.14 121.20 119.84 1x42 s ILE 215 Ca -0.12 -0.86 0.03 0.00 -2.23 0.00 0.00 60.65 57.47 1x42 s ILE 215 Cb -0.09 -1.43 -0.03 0.00 -1.58 0.00 0.00 42.46 39.33 1x42 s ILE 215 CO -0.01 0.48 -0.10 0.68 -1.23 0.00 0.00 174.94 174.76 1x42 s VAL 216 N -0.09 0.83 -0.66 2.92 -7.23 0.30 -4.93 120.40 111.54 1x42 s VAL 216 Ca -0.02 -1.50 0.10 0.00 -1.81 0.00 0.00 61.98 58.74 1x42 s VAL 216 Cb -0.12 -1.19 -0.06 0.00 0.56 0.00 0.00 36.38 35.58 1x42 s VAL 216 CO 0.02 -0.52 0.51 -1.54 -0.31 0.00 0.00 175.10 173.26 1x42 n SER 217 N 0.78 0.79 -3.83 4.85 3.41 -1.26 -0.97 113.62 117.40 1x42 n SER 217 Ca -0.18 -0.89 -0.13 0.00 -0.26 0.00 0.00 58.87 57.41 1x42 n SER 217 Cb 0.57 0.77 -0.14 0.00 -0.26 0.00 0.00 64.21 65.15 1x42 n SER 217 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1x42 s ASP 218 N -1.67 -0.05 0.59 4.04 2.15 -1.26 -4.30 116.67 116.17 1x42 s ASP 218 Ca 0.06 0.13 0.38 0.00 0.43 0.00 0.00 52.55 53.55 1x42 s ASP 218 Cb 0.08 0.10 1.77 0.00 -0.30 0.00 0.00 42.92 44.57 1x42 s ASP 218 CO 0.33 -0.05 2.13 -0.07 -0.17 0.00 0.00 175.17 177.34 1x42 h LEU 219 N 6.38 0.00 -0.90 -1.34 3.38 -1.94 -1.57 115.31 119.33 1x42 h LEU 219 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1x42 h LEU 219 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1x42 h LEU 219 CO 0.47 0.00 0.00 0.54 0.09 0.00 0.00 178.44 179.54 1x42 n ARG 220 N -3.10 0.19 0.15 1.13 1.74 -1.26 -1.59 116.66 113.92 1x42 n ARG 220 Ca -0.01 0.48 0.13 0.00 -0.77 0.00 0.00 57.85 57.68 1x42 n ARG 220 Cb 0.22 -1.91 0.48 0.00 -1.02 0.00 0.00 32.46 30.24 1x42 n ARG 220 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1x42 h GLU 221 N 0.00 0.00 -0.75 5.56 5.08 -1.72 -3.28 114.58 119.48 1x42 h GLU 221 Ca 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1x42 h GLU 221 Cb 0.29 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1x42 h GLU 221 CO 0.00 0.00 0.23 0.28 -1.00 0.00 0.00 179.01 178.52 1x42 h VAL 222 N 0.00 1.26 -0.06 3.13 2.07 -1.48 -2.33 116.25 118.84 1x42 h VAL 222 Ca 0.00 -0.92 -0.12 0.00 0.82 0.00 0.00 66.70 66.48 1x42 h VAL 222 Cb 0.52 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1x42 h VAL 222 CO 0.00 0.36 -0.51 0.16 0.02 0.00 0.00 177.57 177.61 1x42 h ILE 223 N 1.11 1.36 -0.54 4.57 -2.65 -1.76 -1.91 117.51 117.69 1x42 h ILE 223 Ca 0.24 -1.75 -0.06 0.00 1.03 0.00 0.00 64.86 64.32 1x42 h ILE 223 Cb 0.31 1.88 -0.02 0.00 -2.05 0.00 0.00 36.82 36.94 1x42 h ILE 223 CO -0.01 0.51 0.09 0.11 0.03 0.00 0.00 178.15 178.89 1x42 h LYS 224 N 0.12 0.89 -0.47 0.16 1.57 -1.70 -1.18 116.57 115.95 1x42 h LYS 224 Ca 0.00 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 1x42 h LYS 224 Cb 0.94 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 1x42 h LYS 224 CO 0.07 0.86 0.21 0.82 -0.57 0.00 0.00 179.45 180.85 1x42 h ILE 225 N 0.78 1.20 -0.77 1.86 2.04 -1.20 -0.78 117.51 120.63 1x42 h ILE 225 Ca 0.16 -0.58 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 1x42 h ILE 225 Cb 0.40 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1x42 h ILE 225 CO 0.01 0.22 0.33 0.58 0.00 0.00 0.00 178.15 179.29 1x42 h VAL 226 N 0.62 1.25 -0.56 1.67 2.07 -1.03 0.38 116.25 120.65 1x42 h VAL 226 Ca 0.16 -0.77 -0.08 0.00 0.82 0.00 0.00 66.70 66.83 1x42 h VAL 226 Cb 0.15 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1x42 h VAL 226 CO -0.02 0.32 0.04 0.44 0.02 0.00 0.00 177.57 178.37 1x42 h ASP 227 N 1.10 0.94 -0.30 0.57 3.32 -1.09 -0.28 116.42 120.68 1x42 h ASP 227 Ca 0.26 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1x42 h ASP 227 Cb 0.18 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 1x42 h ASP 227 CO -0.02 0.99 0.13 -0.08 -1.72 0.00 0.00 179.24 178.54 1x42 h GLU 228 N 0.85 0.51 0.04 3.56 4.81 -0.62 -2.20 114.58 121.53 1x42 h GLU 228 Ca 0.16 -0.06 -0.22 0.00 -0.13 0.00 0.00 59.36 59.11 1x42 h GLU 228 Cb 0.49 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1x42 h GLU 228 CO 0.02 0.43 -1.04 -0.07 -0.73 0.00 0.00 179.01 177.62 1x42 h LEU 229 N 0.51 0.16 -0.89 1.64 3.38 -0.46 -3.51 115.31 116.15 1x42 h LEU 229 Ca 0.12 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1x42 h LEU 229 Cb 0.12 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1x42 h LEU 229 CO -0.01 1.09 0.00 0.59 0.09 0.00 0.00 178.44 180.20