#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wch h ALA 2 N 0.00 1.31 -0.26 6.98 0.00 -1.81 -0.96 119.26 124.52 2wch h ALA 2 Ca 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2wch h ALA 2 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2wch h ALA 2 CO 0.00 0.48 0.03 1.49 0.00 0.00 0.00 179.25 181.25 2wch h GLU 3 N 0.64 0.44 -0.73 0.00 4.81 -1.96 -1.04 114.58 116.73 2wch h GLU 3 Ca 0.14 -0.12 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 2wch h GLU 3 Cb 0.30 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.57 2wch h GLU 3 CO 0.00 0.57 0.42 0.28 -0.73 0.00 0.00 179.01 179.56 2wch h VAL 4 N 0.25 0.97 0.00 0.32 2.07 -1.77 -1.63 116.25 116.46 2wch h VAL 4 Ca 0.08 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 2wch h VAL 4 Cb 0.35 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 2wch h VAL 4 CO 0.01 0.14 -0.27 -0.03 0.02 0.00 0.00 177.57 177.44 2wch h MET 5 N 0.76 0.00 -0.39 1.57 1.85 -0.95 -0.75 114.93 117.02 2wch h MET 5 Ca 0.33 0.00 -0.07 0.00 -0.61 0.00 0.00 59.70 59.35 2wch h MET 5 Cb 0.21 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.23 2wch h MET 5 CO -0.19 0.27 -0.04 0.77 -0.40 0.00 0.00 176.91 177.32 2wch h SER 6 N 0.00 0.72 -0.27 1.39 0.02 -0.25 -1.36 113.55 113.80 2wch h SER 6 Ca -0.00 -0.33 -0.02 0.00 -0.84 0.00 0.00 61.79 60.59 2wch h SER 6 Cb 0.52 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 2wch h SER 6 CO 0.03 0.88 0.07 0.45 -1.14 0.00 0.00 176.83 177.13 2wch h HIS 7 N 0.54 0.45 -0.21 3.45 3.86 -0.77 0.12 115.15 122.59 2wch h HIS 7 Ca 0.11 -0.05 0.05 0.00 -1.16 0.00 0.00 60.37 59.31 2wch h HIS 7 Cb 0.53 -0.13 -0.05 0.00 1.06 0.00 0.00 27.41 28.83 2wch h HIS 7 CO 0.04 0.50 -0.11 0.28 0.86 0.00 0.00 177.93 179.50 2wch h VAL 8 N 0.28 0.67 -0.31 2.45 2.07 -1.11 -1.61 116.25 118.69 2wch h VAL 8 Ca 0.09 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 2wch h VAL 8 Cb 0.27 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2wch h VAL 8 CO -0.00 0.00 0.12 0.74 0.02 0.00 0.00 177.57 178.45 2wch h THR 9 N -0.09 1.18 -0.72 2.57 2.02 -1.16 -0.44 112.91 116.28 2wch h THR 9 Ca 0.11 -0.56 0.07 0.00 0.77 0.00 0.00 66.41 66.81 2wch h THR 9 Cb 0.26 0.97 -0.06 0.00 -1.74 0.00 0.00 68.15 67.57 2wch h THR 9 CO -0.26 0.19 0.40 0.00 0.37 0.00 0.00 175.52 176.22 2wch h ALA 10 N 0.97 0.98 0.02 6.16 0.00 -0.53 -0.85 119.26 126.01 2wch h ALA 10 Ca 0.10 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2wch h ALA 10 Cb 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2wch h ALA 10 CO -0.01 0.05 -0.01 1.25 0.00 0.00 0.00 179.25 180.53 2wch h HIS 11 N 0.70 -0.02 -0.87 0.00 6.17 -1.20 -3.26 115.15 116.67 2wch h HIS 11 Ca 0.33 -0.00 0.15 0.00 0.71 0.00 0.00 60.37 61.57 2wch h HIS 11 Cb 0.26 0.01 -0.10 0.00 2.52 0.00 0.00 27.41 30.10 2wch h HIS 11 CO -0.08 0.73 0.46 0.35 0.71 0.00 0.00 177.93 180.10 2wch h PHE 12 N -0.85 0.80 0.00 5.26 3.57 -1.03 -1.80 116.94 122.90 2wch h PHE 12 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2wch h PHE 12 Cb 0.76 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.28 2wch h PHE 12 CO 0.20 0.19 0.00 0.78 -2.23 0.00 0.00 178.31 177.24 2wch h GLY 13 N 0.64 0.00 1.30 2.40 0.00 -1.22 -2.65 103.07 103.54 2wch h GLY 13 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.81 2wch h GLY 13 CO -0.37 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.45 2wch n LYS 14 N -2.94 0.36 0.00 4.80 5.02 -0.68 -2.33 118.16 122.39 2wch n LYS 14 Ca -0.02 0.07 0.10 0.00 -2.02 0.00 0.00 58.31 56.44 2wch n LYS 14 Cb 0.13 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.69 2wch n LYS 14 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2wch n THR 15 N -1.15 0.00 -0.14 -0.18 -2.24 -1.00 -4.53 114.28 105.05 2wch n THR 15 Ca 0.10 -0.41 -0.08 0.00 -2.27 0.00 0.00 64.05 61.38 2wch n THR 15 Cb 0.09 1.33 -0.00 0.00 -2.10 0.00 0.00 70.33 69.65 2wch n THR 15 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2wch h LEU 16 N 3.12 0.53 -1.19 3.22 5.85 -1.67 -2.79 115.31 122.38 2wch h LEU 16 Ca 0.00 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 2wch h LEU 16 Cb 0.75 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 2wch h LEU 16 CO 0.00 0.49 0.42 -0.33 -0.34 0.00 0.00 178.44 178.69 2wch h GLU 17 N 0.54 0.98 0.00 1.25 4.39 -1.80 -1.36 114.58 118.58 2wch h GLU 17 Ca 0.15 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2wch h GLU 17 Cb 0.09 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 2wch h GLU 17 CO -0.02 0.70 0.00 -0.85 -1.16 0.00 0.00 179.01 177.68 2wch n GLU 18 N -4.38 0.09 0.00 2.33 0.28 -1.14 -2.97 120.64 114.85 2wch n GLU 18 Ca 0.07 0.14 0.11 0.00 -0.16 0.00 0.00 57.16 57.33 2wch n GLU 18 Cb 0.08 -1.62 0.02 0.00 1.43 0.00 0.00 31.44 31.34 2wch n GLU 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2wch h ARG 20 N 2.93 0.37 -0.58 0.00 3.08 -1.38 -2.83 114.38 115.96 2wch h ARG 20 Ca 0.00 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 2wch h ARG 20 Cb 0.81 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.83 2wch h ARG 20 CO 0.00 0.70 0.32 1.49 -1.07 0.00 0.00 179.97 181.41 2wch h GLU 21 N 0.03 0.80 0.00 0.04 4.81 -1.81 -0.80 114.58 117.64 2wch h GLU 21 Ca 0.03 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 2wch h GLU 21 Cb 0.60 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 2wch h GLU 21 CO 0.03 0.61 -0.07 1.05 -0.73 0.00 0.00 179.01 179.90 2wch h GLU 22 N 0.78 0.00 0.00 1.92 4.11 -1.85 -3.20 114.58 116.33 2wch h GLU 22 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 2wch h GLU 22 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2wch h GLU 22 CO -0.03 0.07 -0.98 -1.13 0.07 0.00 0.00 179.01 177.01 2wch n SER 23 N -3.13 0.64 -0.15 3.06 3.41 -1.02 -4.97 113.62 111.46 2wch n SER 23 Ca 0.03 -0.34 -0.02 0.00 -0.26 0.00 0.00 58.87 58.27 2wch n SER 23 Cb 0.50 0.80 -0.01 0.00 -0.26 0.00 0.00 64.21 65.24 2wch n SER 23 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wch n GLY 24 N 1.41 0.50 3.52 5.00 0.00 -0.34 -4.56 105.19 110.71 2wch n GLY 24 Ca 0.03 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 2wch n GLY 24 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wch s LEU 25 N -0.44 4.09 0.71 0.99 2.96 -1.11 -4.95 118.68 120.92 2wch s LEU 25 Ca 0.00 -1.73 -0.16 0.00 -0.22 0.00 0.00 54.13 52.01 2wch s LEU 25 Cb 0.00 -2.51 -0.00 0.00 0.50 0.00 0.00 46.19 44.18 2wch s LEU 25 CO 0.00 -1.32 0.96 -1.20 -1.32 0.00 0.00 176.35 173.46 2wch n SER 26 N 7.98 0.47 0.23 3.68 7.64 -1.26 -4.79 113.62 127.57 2wch n SER 26 Ca 0.31 0.68 0.06 0.00 1.01 0.00 0.00 58.87 60.93 2wch n SER 26 Cb 0.50 -1.40 0.54 0.00 -1.01 0.00 0.00 64.21 62.84 2wch n SER 26 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2wch h VAL 27 N -0.17 1.08 0.00 0.44 2.07 -1.94 -1.51 116.25 116.22 2wch h VAL 27 Ca -0.47 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 66.54 2wch h VAL 27 Cb 1.34 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 2wch h VAL 27 CO 0.47 0.14 0.00 0.47 0.02 0.00 0.00 177.57 178.67 2wch n ASP 28 N -4.34 0.48 -0.08 0.57 8.00 -1.26 -2.68 116.55 117.24 2wch n ASP 28 Ca -0.03 0.59 -0.21 0.00 0.71 0.00 0.00 54.79 55.85 2wch n ASP 28 Cb 0.21 -0.70 -0.12 0.00 -0.02 0.00 0.00 41.12 40.49 2wch n ASP 28 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2wch h ILE 29 N 0.00 1.04 -2.89 0.53 2.04 -1.63 -3.47 117.51 113.12 2wch h ILE 29 Ca 0.00 -2.23 -0.28 0.00 1.00 0.00 0.00 64.86 63.35 2wch h ILE 29 Cb 0.46 2.44 -0.35 0.00 -0.74 0.00 0.00 36.82 38.63 2wch h ILE 29 CO 0.00 0.42 -0.61 -0.22 0.00 0.00 0.00 178.15 177.74 2wch s LEU 30 N -7.85 -0.14 -0.15 1.44 2.96 -0.99 -5.05 118.68 108.90 2wch s LEU 30 Ca -0.26 0.26 -0.19 0.00 -0.22 0.00 0.00 54.13 53.72 2wch s LEU 30 Cb 0.04 0.41 -0.16 0.00 0.50 0.00 0.00 46.19 46.99 2wch s LEU 30 CO 0.63 -0.26 0.33 -0.78 -1.32 0.00 0.00 176.35 174.94 2wch h ASP 31 N 8.33 0.00 -4.14 3.68 1.82 -1.78 -3.39 116.42 120.94 2wch h ASP 31 Ca -0.14 -0.53 -0.56 0.00 -0.39 0.00 0.00 57.03 55.41 2wch h ASP 31 Cb 1.12 0.00 -0.30 0.00 0.68 0.00 0.00 39.33 40.83 2wch h ASP 31 CO 0.17 1.01 -0.84 -1.61 -1.61 0.00 0.00 179.24 176.37 2wch s GLU 32 N -2.14 1.64 0.52 0.28 0.41 -1.26 -5.01 118.70 113.13 2wch s GLU 32 Ca -0.18 -0.64 0.19 0.00 -0.41 0.00 0.00 54.97 53.93 2wch s GLU 32 Cb 0.01 -1.50 1.29 0.00 -1.78 0.00 0.00 34.13 32.14 2wch s GLU 32 CO 0.46 0.33 2.09 0.35 -0.49 0.00 0.00 175.26 178.00 2wch h PHE 33 N 5.95 0.04 -0.35 1.61 3.57 -1.89 -2.26 116.94 123.61 2wch h PHE 33 Ca -0.35 0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.25 2wch h PHE 33 Cb 1.16 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 2wch h PHE 33 CO 0.41 0.02 0.27 1.57 -2.23 0.00 0.00 178.31 178.35 2wch h LYS 34 N 0.04 0.00 0.00 1.11 2.10 -1.94 -0.48 116.57 117.40 2wch h LYS 34 Ca 0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.75 2wch h LYS 34 Cb 0.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 2wch h LYS 34 CO -0.01 0.00 0.00 1.25 -2.00 0.00 0.00 179.45 178.69 2wch h HIS 35 N 0.00 0.00 -0.91 0.07 2.76 -1.79 -2.25 115.15 113.03 2wch h HIS 35 Ca 0.16 0.00 0.34 0.00 -2.20 0.00 0.00 60.37 58.67 2wch h HIS 35 Cb 0.69 0.00 -0.17 0.00 1.55 0.00 0.00 27.41 29.49 2wch h HIS 35 CO 0.00 0.00 0.32 0.34 -1.30 0.00 0.00 177.93 177.29 2wch n PHE 36 N -3.08 0.89 1.33 5.26 7.35 -0.19 -0.97 117.46 128.06 2wch n PHE 36 Ca -0.02 1.09 0.14 0.00 -0.76 0.00 0.00 57.45 57.89 2wch n PHE 36 Cb 0.14 -1.38 0.55 0.00 0.35 0.00 0.00 39.48 39.14 2wch n PHE 36 CO 0.00 0.00 0.00 0.91 -0.76 0.00 0.00 176.76 176.91 2wch n TRP 37 N -5.16 0.00 -2.04 -5.13 7.02 -0.84 -4.86 117.44 106.42 2wch n TRP 37 Ca 0.30 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.39 2wch n TRP 37 Cb 1.01 -0.19 0.00 0.00 -2.42 0.00 0.00 31.31 29.71 2wch n TRP 37 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2wch s SER 38 N -2.54 6.06 0.52 -0.99 0.15 -0.14 -4.75 113.70 112.02 2wch s SER 38 Ca 0.26 2.60 0.30 0.00 0.70 0.00 0.00 55.95 59.81 2wch s SER 38 Cb 0.20 -2.63 1.43 0.00 -1.71 0.00 0.00 66.02 63.31 2wch s SER 38 CO 0.50 -1.02 1.88 0.44 1.20 0.00 0.00 173.24 176.25 2wch h ASP 39 N 2.28 0.05 -0.43 5.45 3.32 -1.91 -2.47 116.42 122.71 2wch h ASP 39 Ca -0.50 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2wch h ASP 39 Cb 1.26 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2wch h ASP 39 CO 0.61 0.02 0.00 0.47 -1.72 0.00 0.00 179.24 178.62 2wch n ASP 40 N -4.30 3.41 -4.48 6.45 8.00 -1.26 -4.87 116.55 119.49 2wch n ASP 40 Ca 0.19 -1.96 -0.38 0.00 0.71 0.00 0.00 54.79 53.35 2wch n ASP 40 Cb 0.93 -0.28 -0.12 0.00 -0.02 0.00 0.00 41.12 41.63 2wch n ASP 40 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2wch s PHE 41 N -1.28 3.16 -0.10 1.24 5.36 -0.93 -5.08 117.98 120.35 2wch s PHE 41 Ca 0.37 -0.34 -0.23 0.00 -0.96 0.00 0.00 56.93 55.77 2wch s PHE 41 Cb 0.21 -2.33 -0.03 0.00 -0.34 0.00 0.00 43.02 40.53 2wch s PHE 41 CO 0.29 -0.35 0.69 -0.51 -1.46 0.00 0.00 175.22 173.88 2wch s ASP 42 N 1.65 6.93 -0.86 6.13 1.01 -1.26 -4.84 116.67 125.43 2wch s ASP 42 Ca 0.06 1.12 -0.19 0.00 0.71 0.00 0.00 52.55 54.25 2wch s ASP 42 Cb -0.16 -2.40 0.12 0.00 1.01 0.00 0.00 42.92 41.49 2wch s ASP 42 CO 0.07 -0.15 1.06 -0.69 0.21 0.00 0.00 175.17 175.66 2wch s VAL 43 N 1.05 4.69 0.00 -1.27 1.01 -1.26 -4.64 120.40 119.98 2wch s VAL 43 Ca 0.36 -1.36 0.00 0.00 0.00 0.00 0.00 61.98 60.98 2wch s VAL 43 Cb -0.17 -4.74 0.00 0.00 0.00 0.00 0.00 36.38 31.47 2wch s VAL 43 CO 0.16 -1.46 0.00 1.33 0.00 0.00 0.00 175.10 175.13 2wch n VAL 44 N 5.53 0.00 -2.46 2.92 0.24 -1.26 -4.52 118.33 118.78 2wch n VAL 44 Ca 0.17 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 62.05 2wch n VAL 44 Cb 0.48 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.82 2wch n VAL 44 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2wch s HIS 45 N -0.04 3.50 0.26 6.34 3.76 -1.26 -4.91 115.29 122.94 2wch s HIS 45 Ca 0.00 1.46 -0.02 0.00 -0.15 0.00 0.00 55.06 56.34 2wch s HIS 45 Cb 0.00 -3.35 0.52 0.00 1.11 0.00 0.00 32.58 30.86 2wch s HIS 45 CO 0.00 -0.96 1.72 -0.09 -0.85 0.00 0.00 174.74 174.56 2wch h ARG 46 N 5.84 0.42 -0.60 1.40 2.43 -1.95 -1.29 114.38 120.63 2wch h ARG 46 Ca -0.43 -0.03 0.12 0.00 -0.81 0.00 0.00 59.98 58.83 2wch h ARG 46 Cb 1.21 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.63 2wch h ARG 46 CO 0.76 0.28 0.41 0.93 -1.51 0.00 0.00 179.97 180.84 2wch h GLU 47 N 0.43 0.31 -0.33 0.20 3.07 -1.91 -0.09 114.58 116.26 2wch h GLU 47 Ca 0.45 -0.02 -0.15 0.00 -0.50 0.00 0.00 59.36 59.14 2wch h GLU 47 Cb 0.73 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.56 2wch h GLU 47 CO -0.44 0.20 -0.38 1.25 -1.40 0.00 0.00 179.01 178.24 2wch h LEU 48 N 0.32 0.83 -0.69 1.33 5.85 -1.55 -0.91 115.31 120.49 2wch h LEU 48 Ca 0.28 -0.37 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 2wch h LEU 48 Cb 0.69 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 2wch h LEU 48 CO -0.07 1.12 0.42 1.23 -0.34 0.00 0.00 178.44 180.80 2wch h GLY 49 N 0.90 1.00 1.01 3.75 0.00 -0.97 0.39 103.07 109.15 2wch h GLY 49 Ca 0.06 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 2wch h GLY 49 CO 0.09 0.40 0.31 0.00 0.00 0.00 0.00 176.54 177.34 2wch h ALA 51 N 1.14 0.64 -0.50 0.00 0.00 -0.88 -1.95 119.26 117.72 2wch h ALA 51 Ca 0.23 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2wch h ALA 51 Cb 0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2wch h ALA 51 CO -0.03 -0.04 0.14 0.82 0.00 0.00 0.00 179.25 180.15 2wch h ILE 52 N 0.56 1.21 -0.19 0.00 2.04 -0.76 0.19 117.51 120.56 2wch h ILE 52 Ca 0.21 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 2wch h ILE 52 Cb 0.07 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2wch h ILE 52 CO -0.12 0.27 0.09 0.40 0.00 0.00 0.00 178.15 178.79 2wch h ILE 53 N 0.73 1.13 -0.45 -0.67 2.04 -1.11 0.21 117.51 119.39 2wch h ILE 53 Ca 0.17 -0.39 0.07 0.00 1.00 0.00 0.00 64.86 65.71 2wch h ILE 53 Cb 0.23 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 2wch h ILE 53 CO -0.01 0.13 0.11 0.00 0.00 0.00 0.00 178.15 178.38 2wch h MET 55 N 0.25 0.27 -0.97 0.00 2.86 -0.50 -2.84 114.93 113.99 2wch h MET 55 Ca 0.22 -0.14 0.09 0.00 -2.06 0.00 0.00 59.70 57.81 2wch h MET 55 Cb 0.26 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.85 2wch h MET 55 CO -0.27 0.66 0.61 0.77 1.06 0.00 0.00 176.91 179.75 2wch h SER 56 N -0.12 0.94 0.63 1.22 0.02 -0.44 -2.38 113.55 113.42 2wch h SER 56 Ca 0.02 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 2wch h SER 56 Cb 0.61 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 2wch h SER 56 CO 0.03 0.55 -0.26 0.78 -1.14 0.00 0.00 176.83 176.79 2wch h ASN 57 N 1.05 0.00 -0.75 3.07 2.35 -1.05 0.24 115.58 120.49 2wch h ASN 57 Ca 0.45 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 56.27 2wch h ASN 57 Cb 0.32 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.64 2wch h ASN 57 CO -0.22 0.26 0.49 0.11 -1.65 0.00 0.00 177.43 176.43 2wch h LYS 58 N 0.00 0.75 -0.47 0.81 1.79 -1.23 -2.56 116.57 115.67 2wch h LYS 58 Ca -0.00 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2wch h LYS 58 Cb 0.65 -0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 2wch h LYS 58 CO 0.03 0.50 0.00 1.19 -1.08 0.00 0.00 179.45 180.09 2wch n PHE 59 N -4.48 0.62 -3.49 -1.35 3.72 -0.71 -4.98 117.46 106.79 2wch n PHE 59 Ca 0.11 -0.42 -0.25 0.00 -0.05 0.00 0.00 57.45 56.83 2wch n PHE 59 Cb 0.24 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 38.80 2wch n PHE 59 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2wch n SER 60 N 1.07 -5.27 -0.13 4.37 7.64 -0.55 -4.88 113.62 115.88 2wch n SER 60 Ca 0.17 -0.51 0.13 0.00 1.01 0.00 0.00 58.87 59.67 2wch n SER 60 Cb 0.51 -4.23 0.40 0.00 -1.01 0.00 0.00 64.21 59.88 2wch n SER 60 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2wch n LEU 61 N -4.37 0.68 -4.28 -3.43 4.77 -0.04 -4.78 117.00 105.55 2wch n LEU 61 Ca -0.02 -0.07 -0.27 0.00 -0.03 0.00 0.00 56.01 55.62 2wch n LEU 61 Cb 0.56 -0.20 -0.14 0.00 -2.33 0.00 0.00 43.42 41.31 2wch n LEU 61 CO 0.61 0.14 -0.53 -0.04 -1.33 0.00 0.00 177.39 176.23 2wch s MET 62 N -2.69 1.45 0.45 3.23 -1.94 -1.26 -0.65 119.30 117.90 2wch s MET 62 Ca 0.20 -1.02 -0.01 0.00 -1.71 0.00 0.00 55.69 53.15 2wch s MET 62 Cb 0.19 -1.62 0.09 0.00 2.01 0.00 0.00 34.83 35.50 2wch s MET 62 CO 0.57 0.41 0.62 -3.47 -0.01 0.00 0.00 175.02 173.14 2wch n ASP 63 N 1.70 0.78 0.00 3.03 -0.08 0.36 -4.74 116.55 117.60 2wch n ASP 63 Ca -0.17 -1.67 0.13 0.00 -1.51 0.00 0.00 54.79 51.56 2wch n ASP 63 Cb 0.53 -0.41 0.66 0.00 2.34 0.00 0.00 41.12 44.24 2wch n ASP 63 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2wch n ASP 64 N -2.98 0.00 -0.90 1.67 5.75 -1.26 -1.17 116.55 117.65 2wch n ASP 64 Ca 0.10 -0.10 0.07 0.00 -0.01 0.00 0.00 54.79 54.85 2wch n ASP 64 Cb 0.36 -0.28 0.21 0.00 -1.03 0.00 0.00 41.12 40.38 2wch n ASP 64 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2wch n ASP 65 N -1.28 2.61 -3.75 -1.12 5.68 -1.26 -4.92 116.55 112.50 2wch n ASP 65 Ca 0.12 -2.07 -0.28 0.00 -0.50 0.00 0.00 54.79 52.06 2wch n ASP 65 Cb 0.21 -0.34 0.03 0.00 -1.14 0.00 0.00 41.12 39.87 2wch n ASP 65 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 2wch n VAL 66 N 0.77 -2.02 -4.42 2.12 0.31 -0.32 -4.99 118.33 109.78 2wch n VAL 66 Ca 0.15 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.27 2wch n VAL 66 Cb 0.44 -2.92 -0.10 0.00 -0.91 0.00 0.00 33.84 30.35 2wch n VAL 66 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2wch s ARG 67 N -6.46 1.52 0.32 5.55 0.52 -1.26 -4.92 118.95 114.23 2wch s ARG 67 Ca 0.61 -1.73 -0.28 0.00 -0.52 0.00 0.00 55.73 53.81 2wch s ARG 67 Cb -0.30 -1.29 -0.13 0.00 0.52 0.00 0.00 34.95 33.75 2wch s ARG 67 CO 0.75 0.14 1.14 -0.12 0.02 0.00 0.00 175.30 177.24 2wch n MET 68 N -0.54 1.72 -3.18 3.54 0.00 -1.26 -0.49 117.12 116.91 2wch n MET 68 Ca -0.06 0.61 -0.43 0.00 -0.00 0.00 0.00 57.70 57.81 2wch n MET 68 Cb 0.62 -2.09 -0.07 0.00 0.00 0.00 0.00 33.22 31.68 2wch n MET 68 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 2wch s HIS 69 N -1.09 3.09 0.11 1.12 2.46 0.18 -4.55 115.29 116.61 2wch s HIS 69 Ca 0.57 -0.22 -0.19 0.00 0.47 0.00 0.00 55.06 55.69 2wch s HIS 69 Cb -0.63 -3.23 -0.06 0.00 -0.13 0.00 0.00 32.58 28.53 2wch s HIS 69 CO 0.61 -0.84 1.67 0.45 -2.47 0.00 0.00 174.74 174.16 2wch h HIS 70 N 8.85 0.37 -0.56 3.88 3.86 -1.92 0.17 115.15 129.80 2wch h HIS 70 Ca -0.26 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 58.92 2wch h HIS 70 Cb 1.10 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 29.43 2wch h HIS 70 CO 0.70 0.36 0.31 0.28 0.86 0.00 0.00 177.93 180.44 2wch h VAL 71 N 0.27 1.19 -0.28 2.45 2.07 -1.98 -0.67 116.25 119.30 2wch h VAL 71 Ca 0.09 -0.47 -0.14 0.00 0.82 0.00 0.00 66.70 66.99 2wch h VAL 71 Cb 0.14 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 2wch h VAL 71 CO -0.01 0.20 -0.40 0.78 0.02 0.00 0.00 177.57 178.16 2wch h ASN 72 N 0.76 0.71 -0.59 0.57 2.35 -1.82 -1.46 115.58 116.10 2wch h ASN 72 Ca 0.20 -0.32 -0.08 0.00 -0.55 0.00 0.00 56.30 55.55 2wch h ASN 72 Cb 0.05 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 2wch h ASN 72 CO -0.03 1.03 0.06 -0.03 -1.65 0.00 0.00 177.43 176.81 2wch h MET 73 N 0.55 1.00 -0.42 0.81 4.05 -0.70 0.18 114.93 120.39 2wch h MET 73 Ca 0.05 -0.29 -0.01 0.00 -0.28 0.00 0.00 59.70 59.17 2wch h MET 73 Cb 0.93 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.60 2wch h MET 73 CO 0.08 0.96 0.23 0.22 0.23 0.00 0.00 176.91 178.64 2wch h ASP 74 N 0.89 0.53 -0.62 1.39 3.58 -0.97 -0.40 116.42 120.83 2wch h ASP 74 Ca 0.17 -0.09 -0.05 0.00 0.42 0.00 0.00 57.03 57.49 2wch h ASP 74 Cb 0.47 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.36 2wch h ASP 74 CO 0.02 0.46 0.22 -0.33 -2.88 0.00 0.00 179.24 176.73 2wch h GLU 75 N 0.55 0.98 -0.17 0.28 5.08 -1.15 -1.28 114.58 118.86 2wch h GLU 75 Ca 0.15 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2wch h GLU 75 Cb 0.05 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2wch h GLU 75 CO -0.02 0.82 0.05 -0.92 -1.00 0.00 0.00 179.01 177.94 2wch h TYR 76 N 0.95 0.28 -0.71 4.33 3.20 -0.56 -2.49 116.97 121.97 2wch h TYR 76 Ca 0.21 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.00 2wch h TYR 76 Cb 0.24 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 2wch h TYR 76 CO 0.02 0.38 0.22 0.82 -1.64 0.00 0.00 178.16 177.95 2wch h ILE 77 N 0.10 1.26 0.00 1.81 2.04 -0.94 -1.93 117.51 119.83 2wch h ILE 77 Ca 0.05 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 65.02 2wch h ILE 77 Cb 0.23 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2wch h ILE 77 CO -0.00 0.35 0.00 0.11 0.00 0.00 0.00 178.15 178.61 2wch h LYS 78 N 1.05 0.00 0.00 2.37 1.57 -1.11 -2.42 116.57 118.03 2wch h LYS 78 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2wch h LYS 78 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2wch h LYS 78 CO -0.01 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.74 2wch n SER 79 N -2.30 0.02 -4.96 0.86 3.41 -0.73 -4.56 113.62 105.37 2wch n SER 79 Ca 0.00 0.50 -0.23 0.00 -0.26 0.00 0.00 58.87 58.88 2wch n SER 79 Cb 0.12 -0.51 -0.02 0.00 -0.26 0.00 0.00 64.21 63.54 2wch n SER 79 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2wch s PHE 80 N -3.00 3.47 0.10 7.33 0.08 -0.91 -5.03 117.98 120.01 2wch s PHE 80 Ca 0.11 0.10 -0.34 0.00 0.12 0.00 0.00 56.93 56.93 2wch s PHE 80 Cb 0.16 -1.67 -0.13 0.00 -0.57 0.00 0.00 43.02 40.81 2wch s PHE 80 CO 0.44 0.40 1.69 -2.30 -0.10 0.00 0.00 175.22 175.35 2wch n PRO 81 N -1.22 2.26 -1.71 0.24 -0.02 -1.26 -1.03 135.00 132.26 2wch n PRO 81 Ca -0.07 0.82 -0.15 0.00 -2.02 0.00 0.00 63.50 62.07 2wch n PRO 81 Cb 0.56 -2.63 -0.05 0.00 -0.02 0.00 0.00 33.50 31.37 2wch n PRO 81 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2wch n ASN 82 N 4.49 -4.73 -0.08 2.55 3.02 -1.26 -4.68 115.26 114.56 2wch n ASN 82 Ca 0.18 0.25 0.02 0.00 -0.03 0.00 0.00 54.58 55.01 2wch n ASN 82 Cb 0.30 -3.66 0.35 0.00 -0.61 0.00 0.00 39.78 36.16 2wch n ASN 82 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2wch h GLY 83 N 0.00 0.76 1.37 7.41 0.00 -1.27 -1.96 103.07 109.39 2wch h GLY 83 Ca -0.32 -0.29 0.07 0.00 0.00 0.00 0.00 47.33 46.78 2wch h GLY 83 CO 0.44 0.29 0.25 0.06 0.00 0.00 0.00 176.54 177.58 2wch h GLN 84 N 0.73 0.00 0.00 4.80 -0.00 -1.83 -0.45 115.11 118.37 2wch h GLN 84 Ca 0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.83 2wch h GLN 84 Cb -0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.42 2wch h GLN 84 CO -0.04 0.00 -0.08 -0.24 -0.00 0.00 0.00 178.83 178.47 2wch h VAL 85 N 0.00 0.17 0.00 1.86 3.04 -1.76 -3.31 116.25 116.25 2wch h VAL 85 Ca 0.12 -0.87 -0.12 0.00 -1.01 0.00 0.00 66.70 64.82 2wch h VAL 85 Cb 0.61 1.75 -0.02 0.00 -2.01 0.00 0.00 31.29 31.61 2wch h VAL 85 CO -0.00 0.07 -1.79 -0.11 -1.01 0.00 0.00 177.57 174.73 2wch n LEU 86 N -3.16 0.00 0.24 3.16 7.94 -0.30 -4.53 117.00 120.34 2wch n LEU 86 Ca 0.01 0.00 -0.16 0.00 -1.11 0.00 0.00 56.01 54.76 2wch n LEU 86 Cb 0.42 0.16 -0.08 0.00 0.53 0.00 0.00 43.42 44.45 2wch n LEU 86 CO 0.31 0.16 0.74 0.00 -1.11 0.00 0.00 177.39 177.49 2wch h ALA 87 N 1.00 -0.54 -0.45 1.96 0.00 -1.30 0.25 119.26 120.19 2wch h ALA 87 Ca -0.18 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 2wch h ALA 87 Cb 1.24 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 2wch h ALA 87 CO 0.01 -0.80 0.01 1.49 0.00 0.00 0.00 179.25 179.96 2wch h GLU 88 N -0.54 0.78 -0.37 0.00 4.81 -1.87 -2.29 114.58 115.11 2wch h GLU 88 Ca -0.06 -0.24 0.04 0.00 -0.13 0.00 0.00 59.36 58.97 2wch h GLU 88 Cb 0.41 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 2wch h GLU 88 CO 0.09 0.84 0.14 -0.22 -0.73 0.00 0.00 179.01 179.13 2wch h LYS 89 N 0.63 0.29 -0.41 1.92 3.64 -1.76 -0.68 116.57 120.21 2wch h LYS 89 Ca 0.13 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.38 2wch h LYS 89 Cb 0.48 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 2wch h LYS 89 CO 0.02 0.19 -0.19 1.98 -2.27 0.00 0.00 179.45 179.18 2wch h MET 90 N 0.30 0.79 -0.40 1.90 4.05 -0.41 -0.61 114.93 120.55 2wch h MET 90 Ca 0.16 -0.31 -0.07 0.00 -0.28 0.00 0.00 59.70 59.21 2wch h MET 90 Cb 0.13 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 30.87 2wch h MET 90 CO -0.16 0.92 -0.03 0.28 0.23 0.00 0.00 176.91 178.15 2wch h VAL 91 N 0.69 1.27 -0.21 -5.77 2.07 -1.22 -1.25 116.25 111.83 2wch h VAL 91 Ca 0.10 -1.07 0.02 0.00 0.82 0.00 0.00 66.70 66.57 2wch h VAL 91 Cb 0.70 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 2wch h VAL 91 CO 0.05 0.36 0.06 0.50 0.02 0.00 0.00 177.57 178.56 2wch h LYS 92 N 0.54 0.15 -0.27 1.57 3.64 -0.95 0.11 116.57 121.36 2wch h LYS 92 Ca 0.11 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2wch h LYS 92 Cb 0.53 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2wch h LYS 92 CO 0.03 0.10 0.15 -0.07 -2.27 0.00 0.00 179.45 177.39 2wch h LEU 93 N 0.16 0.33 -0.30 5.20 3.38 -0.90 -0.83 115.31 122.34 2wch h LEU 93 Ca 0.09 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2wch h LEU 93 Cb 0.07 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2wch h LEU 93 CO -0.11 0.30 0.02 0.40 0.09 0.00 0.00 178.44 179.15 2wch h ILE 94 N 0.33 1.25 -0.37 1.22 2.04 -1.13 -1.74 117.51 119.10 2wch h ILE 94 Ca 0.10 -0.87 0.08 0.00 1.00 0.00 0.00 64.86 65.16 2wch h ILE 94 Cb 0.04 1.23 -0.09 0.00 -0.74 0.00 0.00 36.82 37.26 2wch h ILE 94 CO -0.02 0.28 -0.26 -0.74 0.00 0.00 0.00 178.15 177.42 2wch h HIS 95 N 0.33 -0.68 -0.91 1.37 2.76 -0.59 0.05 115.15 117.47 2wch h HIS 95 Ca 0.09 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 2wch h HIS 95 Cb 0.39 0.36 -0.04 0.00 1.55 0.00 0.00 27.41 29.66 2wch h HIS 95 CO 0.03 -0.33 0.59 -0.97 -1.30 0.00 0.00 177.93 175.94 2wch h ASN 96 N -0.20 1.07 -0.48 3.26 -1.24 -1.08 -1.55 115.58 115.35 2wch h ASN 96 Ca 0.18 -0.04 -0.12 0.00 0.71 0.00 0.00 56.30 57.03 2wch h ASN 96 Cb 0.48 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 39.25 2wch h ASN 96 CO -0.48 0.79 -0.16 0.00 -1.29 0.00 0.00 177.43 176.29 2wch h GLU 98 N 0.80 0.19 -0.42 0.00 5.08 -0.57 -2.05 114.58 117.61 2wch h GLU 98 Ca 0.12 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.55 2wch h GLU 98 Cb 0.73 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 2wch h GLU 98 CO 0.06 0.12 0.29 0.87 -1.00 0.00 0.00 179.01 179.35 2wch h LYS 99 N 0.19 0.19 0.00 2.33 1.57 -1.05 -1.27 116.57 118.53 2wch h LYS 99 Ca 0.15 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2wch h LYS 99 Cb 0.16 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2wch h LYS 99 CO -0.19 0.12 0.00 1.96 -0.57 0.00 0.00 179.45 180.77 2wch h GLN 100 N 0.19 0.00 -0.07 3.15 4.20 -1.20 -3.26 115.11 118.12 2wch h GLN 100 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2wch h GLN 100 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 2wch h GLN 100 CO -0.03 0.00 0.00 1.19 -0.67 0.00 0.00 178.83 179.32 2wch n PHE 101 N -3.04 0.18 1.41 2.96 3.72 -0.50 -4.75 117.46 117.44 2wch n PHE 101 Ca 0.01 -0.80 0.11 0.00 -0.05 0.00 0.00 57.45 56.72 2wch n PHE 101 Cb 0.31 -0.14 0.67 0.00 -0.94 0.00 0.00 39.48 39.39 2wch n PHE 101 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2wch n ASP 102 N -0.87 0.00 -0.58 4.37 5.75 -1.06 -1.49 116.55 122.67 2wch n ASP 102 Ca 0.12 -0.66 0.13 0.00 -0.01 0.00 0.00 54.79 54.36 2wch n ASP 102 Cb 0.55 -0.03 0.27 0.00 -1.03 0.00 0.00 41.12 40.88 2wch n ASP 102 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2wch n THR 103 N -1.03 0.00 -2.60 2.12 -2.24 -1.26 -4.87 114.28 104.39 2wch n THR 103 Ca 0.17 -0.30 -0.43 0.00 -2.27 0.00 0.00 64.05 61.22 2wch n THR 103 Cb 0.09 0.92 -0.02 0.00 -2.10 0.00 0.00 70.33 69.22 2wch n THR 103 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2wch s GLU 104 N -2.20 4.18 0.31 -0.78 2.56 -0.55 -4.91 118.70 117.31 2wch s GLU 104 Ca 0.28 1.31 0.17 0.00 0.00 0.00 0.00 54.97 56.73 2wch s GLU 104 Cb 0.20 -3.70 0.12 0.00 2.00 0.00 0.00 34.13 32.75 2wch s GLU 104 CO 0.41 -0.75 1.47 1.79 -0.56 0.00 0.00 175.26 177.62 2wch h THR 105 N 5.57 0.65 -3.62 -1.70 1.35 -1.89 -3.44 112.91 109.84 2wch h THR 105 Ca -0.21 -1.92 -0.61 0.00 -0.55 0.00 0.00 66.41 63.12 2wch h THR 105 Cb 1.07 2.31 -0.11 0.00 -1.73 0.00 0.00 68.15 69.69 2wch h THR 105 CO 1.00 0.37 0.50 -0.62 -0.25 0.00 0.00 175.52 176.52 2wch s ASP 106 N -6.38 6.50 0.30 5.36 3.68 -1.26 -4.94 116.67 119.93 2wch s ASP 106 Ca 0.05 0.14 0.01 0.00 2.13 0.00 0.00 52.55 54.87 2wch s ASP 106 Cb 0.07 -2.43 0.54 0.00 -1.45 0.00 0.00 42.92 39.65 2wch s ASP 106 CO 0.73 -0.96 1.89 0.44 0.13 0.00 0.00 175.17 177.40 2wch h ASP 107 N 8.92 0.91 -0.25 -0.34 3.32 -1.99 0.20 116.42 127.19 2wch h ASP 107 Ca -0.24 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 56.76 2wch h ASP 107 Cb 1.08 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 2wch h ASP 107 CO 0.99 0.56 -0.12 0.00 -1.72 0.00 0.00 179.24 178.95 2wch h THR 109 N 0.25 1.24 -0.21 0.00 2.02 -1.73 -2.27 112.91 112.19 2wch h THR 109 Ca 0.06 -0.79 0.03 0.00 0.77 0.00 0.00 66.41 66.49 2wch h THR 109 Cb 0.62 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 2wch h THR 109 CO 0.04 0.30 0.01 -0.09 0.37 0.00 0.00 175.52 176.14 2wch h ARG 110 N 0.80 0.08 -0.77 6.66 2.43 -0.43 -1.96 114.38 121.19 2wch h ARG 110 Ca 0.19 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 2wch h ARG 110 Cb 0.27 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 2wch h ARG 110 CO -0.01 0.05 0.33 0.28 -1.51 0.00 0.00 179.97 179.11 2wch h VAL 111 N 0.08 1.25 -0.20 0.20 2.07 -1.15 -0.15 116.25 118.35 2wch h VAL 111 Ca 0.10 -0.76 -0.12 0.00 0.82 0.00 0.00 66.70 66.73 2wch h VAL 111 Cb 0.12 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 2wch h VAL 111 CO -0.16 0.31 -0.40 1.62 0.02 0.00 0.00 177.57 178.97 2wch h VAL 112 N 1.11 1.30 -0.68 2.57 3.04 -1.24 0.06 116.25 122.40 2wch h VAL 112 Ca 0.26 -1.54 -0.04 0.00 -1.01 0.00 0.00 66.70 64.37 2wch h VAL 112 Cb 0.18 1.58 -0.03 0.00 -2.01 0.00 0.00 31.29 31.00 2wch h VAL 112 CO -0.03 0.48 0.28 0.11 -1.01 0.00 0.00 177.57 177.41 2wch h LYS 113 N 0.39 1.01 -0.82 4.17 1.57 -0.84 -0.89 116.57 121.16 2wch h LYS 113 Ca 0.04 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 2wch h LYS 113 Cb 0.86 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.97 2wch h LYS 113 CO 0.07 0.83 0.44 0.28 -0.57 0.00 0.00 179.45 180.50 2wch h VAL 114 N 0.96 1.24 -0.59 0.50 2.07 -0.80 -1.90 116.25 117.74 2wch h VAL 114 Ca 0.23 -0.62 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 2wch h VAL 114 Cb 0.19 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 2wch h VAL 114 CO -0.02 0.28 0.18 0.00 0.02 0.00 0.00 177.57 178.02 2wch h ALA 115 N 1.23 0.77 -0.78 1.67 0.00 -0.64 0.05 119.26 121.56 2wch h ALA 115 Ca 0.29 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2wch h ALA 115 Cb 0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 2wch h ALA 115 CO -0.04 0.44 0.35 0.00 0.00 0.00 0.00 179.25 180.00 2wch h ALA 116 N 1.05 1.01 -0.72 0.00 0.00 -0.94 -1.40 119.26 118.26 2wch h ALA 116 Ca 0.19 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2wch h ALA 116 Cb 0.30 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2wch h ALA 116 CO -0.00 0.59 0.29 0.00 0.00 0.00 0.00 179.25 180.13 2wch h PHE 118 N 1.03 0.89 -0.36 0.00 3.57 -0.73 0.24 116.94 121.58 2wch h PHE 118 Ca 0.24 -0.18 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 2wch h PHE 118 Cb 0.20 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 2wch h PHE 118 CO 0.02 0.89 0.22 -0.22 -2.23 0.00 0.00 178.31 176.99 2wch h LYS 119 N 0.64 0.48 -0.19 1.11 3.64 -1.06 0.31 116.57 121.51 2wch h LYS 119 Ca 0.12 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.28 2wch h LYS 119 Cb 0.57 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2wch h LYS 119 CO 0.03 0.36 -0.59 0.93 -2.27 0.00 0.00 179.45 177.91 2wch h GLU 120 N 0.47 0.61 -0.04 1.90 5.08 -1.04 -0.80 114.58 120.76 2wch h GLU 120 Ca 0.13 -0.41 -0.14 0.00 -1.00 0.00 0.00 59.36 57.94 2wch h GLU 120 Cb -0.01 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 2wch h GLU 120 CO -0.03 1.02 -0.61 -0.44 -1.00 0.00 0.00 179.01 177.96 2wch h ASP 121 N 0.46 0.15 -0.34 1.42 3.32 -0.36 -1.33 116.42 119.72 2wch h ASP 121 Ca -0.00 -0.09 -0.08 0.00 0.02 0.00 0.00 57.03 56.88 2wch h ASP 121 Cb 1.16 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 2wch h ASP 121 CO 0.11 0.72 -0.11 0.28 -1.72 0.00 0.00 179.24 178.52 2wch h SER 122 N 0.09 0.70 -0.22 6.45 0.02 -0.84 -0.08 113.55 119.67 2wch h SER 122 Ca -0.01 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 2wch h SER 122 Cb 1.10 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 2wch h SER 122 CO 0.09 0.92 0.14 0.03 -1.14 0.00 0.00 176.83 176.87 2wch h ARG 123 N 0.47 0.30 -0.69 3.45 3.08 -1.03 -1.20 114.38 118.75 2wch h ARG 123 Ca 0.08 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.17 2wch h ARG 123 Cb 0.63 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.57 2wch h ARG 123 CO 0.04 0.22 0.46 0.87 -1.07 0.00 0.00 179.97 180.48 2wch h LYS 124 N 0.29 0.72 -0.01 0.04 1.57 -1.05 -2.47 116.57 115.67 2wch h LYS 124 Ca 0.08 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2wch h LYS 124 Cb -0.01 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.14 2wch h LYS 124 CO -0.02 0.48 -0.18 0.39 -0.57 0.00 0.00 179.45 179.54 2wch n GLU 125 N -4.47 0.92 -1.01 3.15 -0.58 -0.06 -4.95 120.64 113.64 2wch n GLU 125 Ca 0.10 -0.49 -0.00 0.00 -0.42 0.00 0.00 57.16 56.34 2wch n GLU 125 Cb 0.21 -1.49 -0.00 0.00 -0.57 0.00 0.00 31.44 29.58 2wch n GLU 125 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wch n GLY 126 N 1.30 0.45 0.66 0.62 0.00 -0.64 -4.92 105.19 102.66 2wch n GLY 126 Ca 0.14 -0.71 0.07 0.00 0.00 0.00 0.00 46.02 45.51 2wch n GLY 126 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2wch n ILE 127 N -2.98 0.53 -2.36 -0.61 -5.35 -0.55 -4.59 119.36 103.46 2wch n ILE 127 Ca -0.00 -0.76 -0.42 0.00 -0.27 0.00 0.00 62.75 61.29 2wch n ILE 127 Cb 0.02 0.87 -0.03 0.00 -1.74 0.00 0.00 39.64 38.76 2wch n ILE 127 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wch s ALA 128 N -1.06 3.52 0.58 -1.28 0.00 -1.12 -3.87 121.76 118.53 2wch s ALA 128 Ca 0.22 0.76 -0.07 0.00 0.00 0.00 0.00 51.96 52.86 2wch s ALA 128 Cb 0.13 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 2wch s ALA 128 CO 0.18 -0.78 0.91 -1.25 0.00 0.00 0.00 175.76 174.82 2wch s PRO 129 N 2.14 3.23 0.52 0.00 0.04 -1.26 -4.88 135.00 134.78 2wch s PRO 129 Ca 0.59 0.26 -0.09 0.00 0.04 0.00 0.00 61.00 61.80 2wch s PRO 129 Cb -0.28 -2.24 -0.05 0.00 0.04 0.00 0.00 34.50 31.98 2wch s PRO 129 CO 0.25 -0.57 0.88 -1.21 0.04 0.00 0.00 177.00 176.39 2wch s GLU 130 N -5.00 3.64 0.30 4.56 0.41 -1.26 -4.90 118.70 116.45 2wch s GLU 130 Ca 0.53 0.49 0.00 0.00 -0.41 0.00 0.00 54.97 55.58 2wch s GLU 130 Cb -0.11 -2.26 0.51 0.00 -1.78 0.00 0.00 34.13 30.50 2wch s GLU 130 CO 0.48 -0.30 1.92 0.28 -0.49 0.00 0.00 175.26 177.14 2wch h VAL 131 N 0.25 1.08 -0.55 2.63 2.07 -1.85 -1.32 116.25 118.56 2wch h VAL 131 Ca -0.46 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 66.71 2wch h VAL 131 Cb 1.20 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2wch h VAL 131 CO 0.62 0.19 0.37 0.00 0.02 0.00 0.00 177.57 178.77 2wch h ALA 132 N 1.50 1.63 -0.16 1.67 0.00 -1.95 -1.48 119.26 120.47 2wch h ALA 132 Ca 0.38 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.11 2wch h ALA 132 Cb 0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2wch h ALA 132 CO -0.14 0.33 -0.52 0.52 0.00 0.00 0.00 179.25 179.44 2wch h MET 133 N 0.72 0.44 -0.56 0.00 2.86 -1.62 -0.66 114.93 116.12 2wch h MET 133 Ca 0.21 -0.26 -0.08 0.00 -2.06 0.00 0.00 59.70 57.51 2wch h MET 133 Cb -0.04 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 2wch h MET 133 CO -0.05 0.85 0.05 0.28 1.06 0.00 0.00 176.91 179.10 2wch h VAL 134 N 0.35 1.26 -0.45 -2.22 2.07 -1.21 -2.92 116.25 113.13 2wch h VAL 134 Ca 0.01 -1.05 -0.09 0.00 0.82 0.00 0.00 66.70 66.39 2wch h VAL 134 Cb 1.02 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 2wch h VAL 134 CO 0.09 0.38 -0.10 -0.08 0.02 0.00 0.00 177.57 177.88 2wch h GLU 135 N 0.84 0.80 -0.00 1.57 4.57 -1.07 -1.87 114.58 119.42 2wch h GLU 135 Ca 0.16 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 2wch h GLU 135 Cb 0.48 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.00 2wch h GLU 135 CO 0.02 0.87 0.01 0.00 -1.18 0.00 0.00 179.01 178.73 2wch h ALA 136 N 1.16 1.45 -0.32 2.92 0.00 -0.93 -2.26 119.26 121.28 2wch h ALA 136 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2wch h ALA 136 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2wch h ALA 136 CO 0.04 -0.01 0.00 0.28 0.00 0.00 0.00 179.25 179.56 2wch n VAL 137 N -3.73 0.71 0.06 0.00 0.31 -0.75 -4.74 118.33 110.19 2wch n VAL 137 Ca -0.03 -0.85 0.03 0.00 -0.01 0.00 0.00 64.34 63.48 2wch n VAL 137 Cb 0.09 0.73 0.42 0.00 -0.91 0.00 0.00 33.84 34.16 2wch n VAL 137 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2wch h ILE 138 N 2.63 1.13 0.00 2.52 2.04 -0.89 -2.64 117.51 122.30 2wch h ILE 138 Ca 0.00 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 2wch h ILE 138 Cb 0.73 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.63 2wch h ILE 138 CO 0.00 0.16 -0.02 -0.08 0.00 0.00 0.00 178.15 178.20 2wch h GLU 139 N 0.40 0.00 -6.94 2.37 4.81 -1.85 -3.46 114.58 109.91 2wch h GLU 139 Ca 0.10 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.82 2wch h GLU 139 Cb 0.13 0.00 0.06 0.00 0.63 0.00 0.00 28.75 29.57 2wch h GLU 139 CO -0.01 0.02 0.54 0.15 -0.73 0.00 0.00 179.01 178.99 2wch s LYS 140 N -4.50 4.01 0.00 1.92 1.02 -1.00 -5.22 119.74 115.97 2wch s LYS 140 Ca -0.05 1.95 0.00 0.00 0.02 0.00 0.00 55.97 57.89 2wch s LYS 140 Cb 0.15 -2.70 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 2wch s LYS 140 CO 0.54 -0.39 0.00 0.66 -0.92 0.00 0.00 175.35 175.25