#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wck h ALA 2 N 0.00 0.99 -0.32 6.98 0.00 -1.81 -0.18 119.26 124.91 2wck h ALA 2 Ca 0.00 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 2wck h ALA 2 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2wck h ALA 2 CO 0.00 0.60 -0.29 1.49 0.00 0.00 0.00 179.25 181.05 2wck h GLU 3 N 0.64 0.77 -0.50 0.00 4.81 -1.97 -0.71 114.58 117.62 2wck h GLU 3 Ca 0.10 -0.39 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 2wck h GLU 3 Cb 0.64 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.01 2wck h GLU 3 CO 0.05 1.02 0.25 0.28 -0.73 0.00 0.00 179.01 179.88 2wck h VAL 4 N 0.54 1.18 -0.56 0.32 2.07 -1.79 -1.81 116.25 116.21 2wck h VAL 4 Ca 0.06 -0.50 0.04 0.00 0.82 0.00 0.00 66.70 67.11 2wck h VAL 4 Cb 0.86 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 2wck h VAL 4 CO 0.07 0.20 0.37 -0.03 0.02 0.00 0.00 177.57 178.21 2wck h MET 5 N 0.66 0.61 -0.92 1.57 1.85 -0.89 -0.41 114.93 117.41 2wck h MET 5 Ca 0.17 -0.04 -0.01 0.00 -0.61 0.00 0.00 59.70 59.22 2wck h MET 5 Cb 0.09 -0.14 -0.04 0.00 0.43 0.00 0.00 31.60 31.94 2wck h MET 5 CO -0.02 0.40 0.54 0.77 -0.40 0.00 0.00 176.91 178.20 2wck h SER 6 N 0.63 1.11 -0.02 1.39 0.02 -0.29 -1.53 113.55 114.86 2wck h SER 6 Ca 0.23 -0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 61.01 2wck h SER 6 Cb 0.12 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 62.38 2wck h SER 6 CO -0.06 0.86 -0.35 0.45 -1.14 0.00 0.00 176.83 176.59 2wck h HIS 7 N 1.27 0.38 -0.59 3.45 3.86 -0.63 0.51 115.15 123.40 2wck h HIS 7 Ca 0.33 -0.20 0.10 0.00 -1.16 0.00 0.00 60.37 59.44 2wck h HIS 7 Cb -0.03 -0.05 -0.08 0.00 1.06 0.00 0.00 27.41 28.31 2wck h HIS 7 CO 0.01 0.98 0.17 0.28 0.86 0.00 0.00 177.93 180.23 2wck h VAL 8 N -0.32 0.71 -0.13 2.45 2.07 -1.11 -1.41 116.25 118.51 2wck h VAL 8 Ca -0.04 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 2wck h VAL 8 Cb 1.06 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 2wck h VAL 8 CO 0.07 0.06 -0.03 0.74 0.02 0.00 0.00 177.57 178.43 2wck h THR 9 N 0.33 1.29 -0.91 2.57 2.02 -1.15 -1.02 112.91 116.03 2wck h THR 9 Ca 0.31 -0.97 0.08 0.00 0.77 0.00 0.00 66.41 66.60 2wck h THR 9 Cb 0.42 1.68 -0.06 0.00 -1.74 0.00 0.00 68.15 68.44 2wck h THR 9 CO -0.35 0.28 0.59 0.00 0.37 0.00 0.00 175.52 176.41 2wck h ALA 10 N 0.70 1.57 0.09 6.16 0.00 -0.63 0.12 119.26 127.27 2wck h ALA 10 Ca 0.03 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 2wck h ALA 10 Cb 0.45 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.02 2wck h ALA 10 CO 0.01 0.26 -0.63 1.25 0.00 0.00 0.00 179.25 180.15 2wck h HIS 11 N 0.96 0.36 -0.65 0.00 6.17 -1.13 -3.27 115.15 117.60 2wck h HIS 11 Ca 0.41 -0.26 0.01 0.00 0.71 0.00 0.00 60.37 61.23 2wck h HIS 11 Cb 0.32 -0.01 -0.03 0.00 2.52 0.00 0.00 27.41 30.21 2wck h HIS 11 CO -0.00 1.24 0.43 0.35 0.71 0.00 0.00 177.93 180.66 2wck h PHE 12 N -0.57 0.81 0.00 5.26 3.57 -1.13 -2.61 116.94 122.27 2wck h PHE 12 Ca -0.12 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.40 2wck h PHE 12 Cb 1.45 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.92 2wck h PHE 12 CO 0.21 0.51 0.11 0.78 -2.23 0.00 0.00 178.31 177.70 2wck h GLY 13 N 0.87 0.00 1.92 2.40 0.00 -0.84 -2.67 103.07 104.76 2wck h GLY 13 Ca 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.54 2wck h GLY 13 CO -0.05 0.00 -0.09 0.50 0.00 0.00 0.00 176.54 176.90 2wck h LYS 14 N 0.00 0.10 0.00 4.80 1.57 -1.51 -2.24 116.57 119.30 2wck h LYS 14 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2wck h LYS 14 Cb 0.22 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2wck h LYS 14 CO 0.00 0.21 0.00 0.25 -0.57 0.00 0.00 179.45 179.34 2wck n THR 15 N -4.37 0.00 -0.18 -0.16 -2.24 -1.01 -3.87 114.28 102.46 2wck n THR 15 Ca -0.02 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.68 2wck n THR 15 Cb 0.20 -0.50 0.01 0.00 -2.10 0.00 0.00 70.33 67.95 2wck n THR 15 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2wck h LEU 16 N 0.00 0.68 -0.97 3.22 5.85 -1.60 -2.98 115.31 119.51 2wck h LEU 16 Ca 0.00 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 2wck h LEU 16 Cb 0.00 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 2wck h LEU 16 CO 0.00 0.64 0.21 -0.33 -0.34 0.00 0.00 178.44 178.62 2wck h GLU 17 N 0.68 0.96 0.00 1.25 4.39 -1.81 -1.24 114.58 118.81 2wck h GLU 17 Ca 0.17 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2wck h GLU 17 Cb 0.15 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2wck h GLU 17 CO -0.02 0.82 0.00 -0.85 -1.16 0.00 0.00 179.01 177.80 2wck n GLU 18 N -4.28 0.12 0.00 2.33 0.28 -1.19 -2.80 120.64 115.10 2wck n GLU 18 Ca 0.05 0.28 0.09 0.00 -0.16 0.00 0.00 57.16 57.42 2wck n GLU 18 Cb 0.20 -1.70 0.00 0.00 1.43 0.00 0.00 31.44 31.38 2wck n GLU 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2wck h ARG 20 N 2.12 0.35 -0.73 0.00 3.08 -1.30 -2.74 114.38 115.17 2wck h ARG 20 Ca 0.00 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 2wck h ARG 20 Cb 0.63 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.60 2wck h ARG 20 CO 0.00 0.45 0.34 1.49 -1.07 0.00 0.00 179.97 181.18 2wck h GLU 21 N 0.18 1.06 0.00 0.04 4.81 -1.81 -1.04 114.58 117.82 2wck h GLU 21 Ca 0.07 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2wck h GLU 21 Cb 0.25 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.45 2wck h GLU 21 CO -0.00 0.84 -0.01 1.05 -0.73 0.00 0.00 179.01 180.15 2wck h GLU 22 N 1.02 0.00 0.00 1.92 4.11 -1.86 -3.13 114.58 116.64 2wck h GLU 22 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.68 2wck h GLU 22 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2wck h GLU 22 CO -0.03 0.00 -0.99 -1.13 0.07 0.00 0.00 179.01 176.94 2wck n SER 23 N -2.96 0.65 -0.16 3.06 3.41 -1.04 -4.99 113.62 111.60 2wck n SER 23 Ca 0.04 -0.38 -0.02 0.00 -0.26 0.00 0.00 58.87 58.25 2wck n SER 23 Cb 0.51 0.81 -0.01 0.00 -0.26 0.00 0.00 64.21 65.27 2wck n SER 23 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wck n GLY 24 N 1.41 0.53 3.52 5.00 0.00 -0.42 -4.55 105.19 110.68 2wck n GLY 24 Ca 0.03 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 2wck n GLY 24 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wck s LEU 25 N -0.46 4.04 0.53 0.99 2.96 -1.04 -4.94 118.68 120.75 2wck s LEU 25 Ca 0.00 -1.54 -0.22 0.00 -0.22 0.00 0.00 54.13 52.15 2wck s LEU 25 Cb 0.00 -2.50 -0.06 0.00 0.50 0.00 0.00 46.19 44.13 2wck s LEU 25 CO 0.00 -1.38 1.27 -1.20 -1.32 0.00 0.00 176.35 173.72 2wck n SER 26 N 8.08 2.35 0.01 3.68 7.64 -1.26 -4.78 113.62 129.34 2wck n SER 26 Ca 0.25 0.98 0.19 0.00 1.01 0.00 0.00 58.87 61.30 2wck n SER 26 Cb 0.50 -1.53 0.67 0.00 -1.01 0.00 0.00 64.21 62.84 2wck n SER 26 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2wck h VAL 27 N 1.43 0.77 0.00 0.44 2.07 -1.95 -1.43 116.25 117.58 2wck h VAL 27 Ca -0.50 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2wck h VAL 27 Cb 1.31 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2wck h VAL 27 CO 0.57 0.01 0.00 0.47 0.02 0.00 0.00 177.57 178.63 2wck n ASP 28 N -4.40 0.74 -0.06 0.57 8.00 -1.26 -2.68 116.55 117.47 2wck n ASP 28 Ca 0.09 0.63 -0.22 0.00 0.71 0.00 0.00 54.79 56.00 2wck n ASP 28 Cb 0.55 -0.81 -0.13 0.00 -0.02 0.00 0.00 41.12 40.72 2wck n ASP 28 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2wck h ILE 29 N 0.00 0.86 -2.44 0.53 2.04 -1.63 -3.47 117.51 113.40 2wck h ILE 29 Ca 0.00 -2.26 -0.21 0.00 1.00 0.00 0.00 64.86 63.40 2wck h ILE 29 Cb 0.53 2.39 -0.32 0.00 -0.74 0.00 0.00 36.82 38.69 2wck h ILE 29 CO 0.00 0.55 -0.52 -0.22 0.00 0.00 0.00 178.15 177.96 2wck s LEU 30 N -7.59 -0.40 -0.14 1.44 2.96 -0.99 -5.06 118.68 108.90 2wck s LEU 30 Ca -0.26 0.34 -0.15 0.00 -0.22 0.00 0.00 54.13 53.84 2wck s LEU 30 Cb 0.06 0.83 -0.13 0.00 0.50 0.00 0.00 46.19 47.45 2wck s LEU 30 CO 0.67 -0.28 0.28 -0.78 -1.32 0.00 0.00 176.35 174.92 2wck h ASP 31 N 8.25 0.00 -4.42 3.68 1.82 -1.79 -3.39 116.42 120.57 2wck h ASP 31 Ca -0.17 -0.44 -0.62 0.00 -0.39 0.00 0.00 57.03 55.41 2wck h ASP 31 Cb 1.13 0.00 -0.30 0.00 0.68 0.00 0.00 39.33 40.85 2wck h ASP 31 CO 0.21 0.89 -0.86 -1.61 -1.61 0.00 0.00 179.24 176.26 2wck s GLU 32 N -2.04 1.81 0.39 0.28 0.41 -1.26 -5.01 118.70 113.28 2wck s GLU 32 Ca -0.14 -0.78 0.10 0.00 -0.41 0.00 0.00 54.97 53.74 2wck s GLU 32 Cb 0.00 -1.73 0.87 0.00 -1.78 0.00 0.00 34.13 31.50 2wck s GLU 32 CO 0.38 0.45 1.95 0.35 -0.49 0.00 0.00 175.26 177.91 2wck h PHE 33 N 5.65 0.64 -1.06 1.61 3.57 -1.89 -2.00 116.94 123.46 2wck h PHE 33 Ca -0.39 0.02 0.29 0.00 3.53 0.00 0.00 57.97 61.41 2wck h PHE 33 Cb 1.14 -0.21 -0.07 0.00 2.79 0.00 0.00 35.95 39.60 2wck h PHE 33 CO 0.40 0.31 0.71 1.57 -2.23 0.00 0.00 178.31 179.07 2wck h LYS 34 N 0.60 0.23 0.00 1.11 2.10 -1.94 0.13 116.57 118.81 2wck h LYS 34 Ca 0.32 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.96 2wck h LYS 34 Cb 0.46 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 2wck h LYS 34 CO -0.11 0.15 0.00 1.25 -2.00 0.00 0.00 179.45 178.75 2wck h HIS 35 N 0.24 0.00 -1.30 0.07 2.76 -1.74 -2.44 115.15 112.74 2wck h HIS 35 Ca 0.56 0.00 0.41 0.00 -2.20 0.00 0.00 60.37 59.14 2wck h HIS 35 Cb 1.73 0.00 -0.12 0.00 1.55 0.00 0.00 27.41 30.57 2wck h HIS 35 CO -0.00 0.00 0.85 0.35 -1.30 0.00 0.00 177.93 177.83 2wck h PHE 36 N 0.00 0.49 -0.01 5.26 3.57 -1.14 0.06 116.94 125.16 2wck h PHE 36 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2wck h PHE 36 Cb 0.13 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.74 2wck h PHE 36 CO 0.00 -0.14 -0.08 0.91 -2.23 0.00 0.00 178.31 176.77 2wck n TRP 37 N -4.62 0.00 -2.32 0.41 7.02 -0.92 -4.89 117.44 112.12 2wck n TRP 37 Ca 0.35 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.44 2wck n TRP 37 Cb 1.36 -0.05 -0.02 0.00 -2.42 0.00 0.00 31.31 30.18 2wck n TRP 37 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2wck s SER 38 N -2.18 6.66 0.65 -0.99 0.15 0.00 -4.74 113.70 113.26 2wck s SER 38 Ca 0.34 2.34 0.39 0.00 0.70 0.00 0.00 55.95 59.72 2wck s SER 38 Cb 0.20 -2.62 2.12 0.00 -1.71 0.00 0.00 66.02 64.02 2wck s SER 38 CO 0.40 -0.58 2.19 0.44 1.20 0.00 0.00 173.24 176.90 2wck h ASP 39 N 2.84 0.00 -0.60 5.45 3.32 -1.91 -2.31 116.42 123.21 2wck h ASP 39 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2wck h ASP 39 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2wck h ASP 39 CO 0.63 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 178.62 2wck n ASP 40 N -2.97 3.89 -4.18 6.45 8.00 -1.26 -4.88 116.55 121.59 2wck n ASP 40 Ca -0.03 -2.15 -0.33 0.00 0.71 0.00 0.00 54.79 53.00 2wck n ASP 40 Cb 0.17 -0.45 -0.16 0.00 -0.02 0.00 0.00 41.12 40.66 2wck n ASP 40 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2wck s PHE 41 N -1.27 2.78 -0.17 1.24 5.36 -0.87 -5.10 117.98 119.94 2wck s PHE 41 Ca 0.43 -1.37 -0.18 0.00 -0.96 0.00 0.00 56.93 54.85 2wck s PHE 41 Cb 0.24 -1.91 -0.04 0.00 -0.34 0.00 0.00 43.02 40.97 2wck s PHE 41 CO 0.26 -0.66 0.49 -0.51 -1.46 0.00 0.00 175.22 173.34 2wck s ASP 42 N 1.10 6.59 -0.91 6.13 1.01 -1.26 -4.81 116.67 124.51 2wck s ASP 42 Ca 0.00 0.70 -0.17 0.00 0.71 0.00 0.00 52.55 53.79 2wck s ASP 42 Cb -0.14 -2.28 0.15 0.00 1.01 0.00 0.00 42.92 41.66 2wck s ASP 42 CO -0.07 -0.11 1.04 -0.69 0.21 0.00 0.00 175.17 175.56 2wck s VAL 43 N 1.26 4.97 0.00 -1.27 1.01 -1.26 -4.61 120.40 120.50 2wck s VAL 43 Ca 0.24 -1.84 0.00 0.00 0.00 0.00 0.00 61.98 60.38 2wck s VAL 43 Cb -0.15 -4.70 0.00 0.00 0.00 0.00 0.00 36.38 31.53 2wck s VAL 43 CO 0.10 -1.39 0.00 1.33 0.00 0.00 0.00 175.10 175.14 2wck n VAL 44 N 5.08 0.00 -2.30 2.92 0.24 -1.26 -4.49 118.33 118.52 2wck n VAL 44 Ca 0.22 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 62.11 2wck n VAL 44 Cb 0.48 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.82 2wck n VAL 44 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2wck s HIS 45 N -0.20 3.34 0.25 6.34 3.76 -1.26 -4.90 115.29 122.61 2wck s HIS 45 Ca 0.00 1.37 -0.04 0.00 -0.15 0.00 0.00 55.06 56.24 2wck s HIS 45 Cb 0.00 -3.51 0.44 0.00 1.11 0.00 0.00 32.58 30.62 2wck s HIS 45 CO 0.00 -1.47 1.77 -0.09 -0.85 0.00 0.00 174.74 174.10 2wck h ARG 46 N 4.98 0.62 -0.49 1.40 2.43 -1.95 -0.85 114.38 120.52 2wck h ARG 46 Ca -0.45 -0.04 0.14 0.00 -0.81 0.00 0.00 59.98 58.82 2wck h ARG 46 Cb 1.21 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.61 2wck h ARG 46 CO 0.74 0.41 0.37 0.93 -1.51 0.00 0.00 179.97 180.91 2wck h GLU 47 N 0.64 0.00 0.12 0.20 3.07 -1.91 0.17 114.58 116.87 2wck h GLU 47 Ca 0.41 0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 59.00 2wck h GLU 47 Cb 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 2wck h GLU 47 CO -0.31 0.00 -1.23 1.25 -1.40 0.00 0.00 179.01 177.32 2wck h LEU 48 N 0.00 0.40 -0.15 1.33 5.85 -1.47 -0.82 115.31 120.46 2wck h LEU 48 Ca 0.23 -0.43 0.03 0.00 0.84 0.00 0.00 57.88 58.56 2wck h LEU 48 Cb 0.97 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 2wck h LEU 48 CO -0.00 1.34 -0.06 1.23 -0.34 0.00 0.00 178.44 180.60 2wck h GLY 49 N 1.67 0.08 0.70 3.75 0.00 -0.75 0.11 103.07 108.62 2wck h GLY 49 Ca -0.13 0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.34 2wck h GLY 49 CO 0.20 -0.08 0.45 0.00 0.00 0.00 0.00 176.54 177.10 2wck h ALA 51 N 1.37 0.55 -0.80 0.00 0.00 -0.73 -1.93 119.26 117.74 2wck h ALA 51 Ca 0.33 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2wck h ALA 51 Cb 0.18 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2wck h ALA 51 CO -0.18 0.08 0.48 0.82 0.00 0.00 0.00 179.25 180.45 2wck h ILE 52 N 0.56 1.22 0.08 0.00 2.04 -0.51 0.15 117.51 121.06 2wck h ILE 52 Ca 0.15 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.52 2wck h ILE 52 Cb 0.06 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.23 2wck h ILE 52 CO -0.02 0.23 -0.04 0.40 0.00 0.00 0.00 178.15 178.72 2wck h ILE 53 N 1.10 0.96 -0.35 -0.67 2.04 -0.96 -0.04 117.51 119.59 2wck h ILE 53 Ca 0.29 -0.14 0.07 0.00 1.00 0.00 0.00 64.86 66.08 2wck h ILE 53 Cb -0.04 1.05 -0.07 0.00 -0.74 0.00 0.00 36.82 37.01 2wck h ILE 53 CO -0.05 0.04 -0.14 0.00 0.00 0.00 0.00 178.15 177.99 2wck h MET 55 N -0.07 0.70 -0.78 0.00 2.86 -0.62 -2.62 114.93 114.39 2wck h MET 55 Ca 0.17 -0.19 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 2wck h MET 55 Cb 0.34 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.88 2wck h MET 55 CO -0.40 0.73 0.34 0.77 1.06 0.00 0.00 176.91 179.41 2wck h SER 56 N 0.55 1.05 0.63 1.22 0.02 -0.65 -2.60 113.55 113.78 2wck h SER 56 Ca 0.13 -0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 2wck h SER 56 Cb 0.37 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 2wck h SER 56 CO 0.01 0.91 -0.36 0.78 -1.14 0.00 0.00 176.83 177.03 2wck h ASN 57 N 1.13 0.00 -0.99 3.07 2.35 -0.78 0.41 115.58 120.77 2wck h ASN 57 Ca 0.26 0.00 0.14 0.00 -0.55 0.00 0.00 56.30 56.15 2wck h ASN 57 Cb 0.17 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.46 2wck h ASN 57 CO -0.03 0.36 0.62 0.11 -1.65 0.00 0.00 177.43 176.84 2wck h LYS 58 N 0.00 0.88 -0.50 0.81 1.79 -1.20 -2.54 116.57 115.81 2wck h LYS 58 Ca -0.00 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2wck h LYS 58 Cb 0.77 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 2wck h LYS 58 CO 0.05 0.58 0.00 1.19 -1.08 0.00 0.00 179.45 180.19 2wck n PHE 59 N -4.64 1.00 -4.16 -1.35 3.72 -0.77 -4.97 117.46 106.29 2wck n PHE 59 Ca 0.20 -0.60 -0.34 0.00 -0.05 0.00 0.00 57.45 56.65 2wck n PHE 59 Cb 0.42 -0.15 -0.02 0.00 -0.94 0.00 0.00 39.48 38.79 2wck n PHE 59 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2wck n SER 60 N 0.75 -3.07 0.03 4.37 7.64 -0.74 -4.86 113.62 117.75 2wck n SER 60 Ca 0.20 -0.99 0.12 0.00 1.01 0.00 0.00 58.87 59.22 2wck n SER 60 Cb 0.70 -2.91 0.24 0.00 -1.01 0.00 0.00 64.21 61.23 2wck n SER 60 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2wck n LEU 61 N -4.42 0.57 -4.58 -3.43 4.77 0.06 -4.78 117.00 105.19 2wck n LEU 61 Ca 0.02 0.16 -0.27 0.00 -0.03 0.00 0.00 56.01 55.90 2wck n LEU 61 Cb 0.52 -0.23 -0.09 0.00 -2.33 0.00 0.00 43.42 41.28 2wck n LEU 61 CO 0.84 0.02 -0.41 -0.04 -1.33 0.00 0.00 177.39 176.47 2wck s MET 62 N -3.09 2.08 0.42 3.23 -1.94 -1.26 -0.49 119.30 118.25 2wck s MET 62 Ca 0.09 -1.25 0.06 0.00 -1.71 0.00 0.00 55.69 52.88 2wck s MET 62 Cb 0.15 -2.18 0.07 0.00 2.01 0.00 0.00 34.83 34.89 2wck s MET 62 CO 0.70 0.44 0.58 -3.47 -0.01 0.00 0.00 175.02 173.25 2wck n ASP 63 N 0.07 1.41 0.04 3.03 -0.08 0.16 -4.64 116.55 116.53 2wck n ASP 63 Ca -0.11 -2.04 0.08 0.00 -1.51 0.00 0.00 54.79 51.20 2wck n ASP 63 Cb 0.55 -0.31 0.33 0.00 2.34 0.00 0.00 41.12 44.03 2wck n ASP 63 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 2wck n ASP 64 N -2.58 0.18 -0.82 1.67 5.75 -1.26 -0.99 116.55 118.51 2wck n ASP 64 Ca 0.11 0.55 0.05 0.00 -0.01 0.00 0.00 54.79 55.50 2wck n ASP 64 Cb 0.42 -0.59 0.18 0.00 -1.03 0.00 0.00 41.12 40.10 2wck n ASP 64 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2wck n ASP 65 N -1.71 2.35 -3.41 -1.12 -0.08 -1.26 -4.92 116.55 106.40 2wck n ASP 65 Ca 0.03 -2.11 -0.25 0.00 -1.51 0.00 0.00 54.79 50.95 2wck n ASP 65 Cb 0.16 -0.33 0.02 0.00 2.34 0.00 0.00 41.12 43.30 2wck n ASP 65 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2wck n VAL 66 N 0.53 -1.56 -4.46 5.18 0.31 -0.16 -4.99 118.33 113.19 2wck n VAL 66 Ca 0.13 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.23 2wck n VAL 66 Cb 0.42 -2.56 -0.10 0.00 -0.91 0.00 0.00 33.84 30.68 2wck n VAL 66 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2wck s ARG 67 N -6.08 1.64 0.24 5.55 0.52 -1.26 -4.90 118.95 114.66 2wck s ARG 67 Ca 0.44 -1.77 -0.31 0.00 -0.52 0.00 0.00 55.73 53.57 2wck s ARG 67 Cb -0.22 -1.64 -0.14 0.00 0.52 0.00 0.00 34.95 33.47 2wck s ARG 67 CO 0.55 0.27 1.29 -0.12 0.02 0.00 0.00 175.30 177.30 2wck n MET 68 N -0.61 1.75 -2.90 3.54 0.00 -1.26 0.37 117.12 118.00 2wck n MET 68 Ca -0.05 0.62 -0.43 0.00 -0.00 0.00 0.00 57.70 57.84 2wck n MET 68 Cb 0.61 -2.20 -0.05 0.00 0.00 0.00 0.00 33.22 31.58 2wck n MET 68 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 2wck s HIS 69 N -0.31 2.96 0.11 1.12 2.46 0.36 -4.57 115.29 117.40 2wck s HIS 69 Ca 0.67 0.24 -0.19 0.00 0.47 0.00 0.00 55.06 56.26 2wck s HIS 69 Cb -0.70 -3.80 -0.06 0.00 -0.13 0.00 0.00 32.58 27.89 2wck s HIS 69 CO 0.53 -1.05 1.65 0.45 -2.47 0.00 0.00 174.74 173.86 2wck h HIS 70 N 9.03 0.40 -0.44 3.88 3.86 -1.92 -0.32 115.15 129.65 2wck h HIS 70 Ca -0.24 -0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 58.87 2wck h HIS 70 Cb 1.08 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 29.42 2wck h HIS 70 CO 0.83 0.40 -0.01 0.28 0.86 0.00 0.00 177.93 180.30 2wck h VAL 71 N 0.28 1.26 -0.34 2.45 2.07 -1.98 -0.76 116.25 119.24 2wck h VAL 71 Ca 0.09 -1.05 -0.09 0.00 0.82 0.00 0.00 66.70 66.47 2wck h VAL 71 Cb 0.17 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2wck h VAL 71 CO -0.01 0.36 -0.15 0.78 0.02 0.00 0.00 177.57 178.57 2wck h ASN 72 N 0.62 0.59 -0.26 0.57 2.35 -1.82 -1.83 115.58 115.81 2wck h ASN 72 Ca 0.12 -0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 2wck h ASN 72 Cb 0.50 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 2wck h ASN 72 CO 0.02 0.76 0.03 -0.03 -1.65 0.00 0.00 177.43 176.57 2wck h MET 73 N 0.54 0.43 -0.82 0.81 4.05 -0.87 -0.73 114.93 118.33 2wck h MET 73 Ca 0.09 -0.12 0.01 0.00 -0.28 0.00 0.00 59.70 59.40 2wck h MET 73 Cb 0.58 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.29 2wck h MET 73 CO 0.04 0.57 0.54 0.22 0.23 0.00 0.00 176.91 178.51 2wck h ASP 74 N 0.23 0.95 -0.74 1.39 3.58 -0.85 0.07 116.42 121.05 2wck h ASP 74 Ca 0.08 -0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.46 2wck h ASP 74 Cb 0.35 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.13 2wck h ASP 74 CO 0.01 0.69 0.30 -0.33 -2.88 0.00 0.00 179.24 177.02 2wck h GLU 75 N 1.12 1.10 -0.22 0.28 5.08 -1.31 -0.17 114.58 120.46 2wck h GLU 75 Ca 0.30 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2wck h GLU 75 Cb -0.13 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 28.93 2wck h GLU 75 CO -0.06 0.90 0.04 -0.92 -1.00 0.00 0.00 179.01 177.97 2wck h TYR 76 N 1.06 0.39 -0.40 4.33 3.20 -0.30 -2.66 116.97 122.58 2wck h TYR 76 Ca 0.25 -0.05 -0.12 0.00 3.14 0.00 0.00 58.73 61.95 2wck h TYR 76 Cb 0.21 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 2wck h TYR 76 CO 0.02 0.49 -0.22 0.82 -1.64 0.00 0.00 178.16 177.63 2wck h ILE 77 N 0.17 1.27 0.00 1.81 2.04 -0.87 -1.90 117.51 120.04 2wck h ILE 77 Ca 0.07 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.59 2wck h ILE 77 Cb 0.31 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.59 2wck h ILE 77 CO 0.00 0.45 0.00 0.29 0.00 0.00 0.00 178.15 178.89 2wck n LYS 78 N -4.11 0.10 0.00 2.37 5.02 -0.09 -2.06 118.16 119.39 2wck n LYS 78 Ca 0.00 0.55 0.13 0.00 -2.02 0.00 0.00 58.31 56.98 2wck n LYS 78 Cb 0.44 -1.80 0.51 0.00 -0.02 0.00 0.00 35.03 34.16 2wck n LYS 78 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2wck n SER 79 N -2.01 0.15 -4.96 4.39 3.41 -0.71 -4.58 113.62 109.32 2wck n SER 79 Ca -0.00 0.27 -0.23 0.00 -0.26 0.00 0.00 58.87 58.65 2wck n SER 79 Cb 0.06 -0.28 -0.02 0.00 -0.26 0.00 0.00 64.21 63.71 2wck n SER 79 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2wck s PHE 80 N -2.99 3.47 0.21 7.33 0.08 -0.87 -5.03 117.98 120.17 2wck s PHE 80 Ca 0.13 0.09 -0.32 0.00 0.12 0.00 0.00 56.93 56.95 2wck s PHE 80 Cb 0.19 -1.66 -0.13 0.00 -0.57 0.00 0.00 43.02 40.85 2wck s PHE 80 CO 0.58 0.40 1.65 -2.30 -0.10 0.00 0.00 175.22 175.45 2wck n PRO 81 N -1.25 2.55 -1.31 0.24 -0.02 -1.26 -1.24 135.00 132.71 2wck n PRO 81 Ca -0.08 0.92 -0.11 0.00 -2.02 0.00 0.00 63.50 62.21 2wck n PRO 81 Cb 0.56 -2.72 -0.05 0.00 -0.02 0.00 0.00 33.50 31.27 2wck n PRO 81 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2wck n ASN 82 N 3.48 -4.63 -0.23 2.55 3.02 -1.26 -4.73 115.26 113.46 2wck n ASN 82 Ca 0.15 0.26 0.04 0.00 -0.03 0.00 0.00 54.58 55.00 2wck n ASN 82 Cb 0.33 -3.07 0.28 0.00 -0.61 0.00 0.00 39.78 36.72 2wck n ASN 82 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2wck h GLY 83 N 0.00 1.11 0.59 7.41 0.00 -1.36 -2.08 103.07 108.75 2wck h GLY 83 Ca -0.22 -0.37 0.20 0.00 0.00 0.00 0.00 47.33 46.94 2wck h GLY 83 CO 0.32 0.30 0.51 0.06 0.00 0.00 0.00 176.54 177.73 2wck h GLN 84 N 0.93 0.00 0.00 4.80 -0.00 -1.83 -0.55 115.11 118.46 2wck h GLN 84 Ca 0.33 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.96 2wck h GLN 84 Cb 0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.60 2wck h GLN 84 CO -0.10 0.00 -0.10 -0.39 -0.00 0.00 0.00 178.83 178.24 2wck h VAL 85 N 0.00 0.26 0.00 1.86 -1.51 -1.78 -3.26 116.25 111.82 2wck h VAL 85 Ca 0.32 -0.76 -0.18 0.00 -1.23 0.00 0.00 66.70 64.86 2wck h VAL 85 Cb 1.34 1.60 -0.03 0.00 -2.13 0.00 0.00 31.29 32.07 2wck h VAL 85 CO -0.00 0.10 -1.95 -0.11 -1.23 0.00 0.00 177.57 174.38 2wck n LEU 86 N -3.25 0.00 0.15 4.19 7.94 -0.31 -4.52 117.00 121.19 2wck n LEU 86 Ca 0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.77 2wck n LEU 86 Cb 0.35 0.24 -0.06 0.00 0.53 0.00 0.00 43.42 44.48 2wck n LEU 86 CO 0.30 0.24 0.69 0.00 -1.11 0.00 0.00 177.39 177.51 2wck h ALA 87 N 1.04 -0.49 -0.71 1.96 0.00 -1.34 0.26 119.26 119.98 2wck h ALA 87 Ca -0.26 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 2wck h ALA 87 Cb 1.51 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 19.65 2wck h ALA 87 CO 0.01 -0.81 0.28 1.49 0.00 0.00 0.00 179.25 180.22 2wck h GLU 88 N -0.51 1.07 -0.20 0.00 4.81 -1.87 -2.42 114.58 115.46 2wck h GLU 88 Ca 0.01 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.04 2wck h GLU 88 Cb 0.50 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.69 2wck h GLU 88 CO -0.09 0.88 0.10 -0.22 -0.73 0.00 0.00 179.01 178.94 2wck h LYS 89 N 1.02 0.29 -0.46 1.92 3.64 -1.70 -1.06 116.57 120.22 2wck h LYS 89 Ca 0.24 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.51 2wck h LYS 89 Cb 0.21 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 2wck h LYS 89 CO -0.02 0.31 0.02 1.98 -2.27 0.00 0.00 179.45 179.47 2wck h MET 90 N 0.19 0.80 -0.80 1.90 4.05 -0.46 -0.86 114.93 119.76 2wck h MET 90 Ca 0.07 -0.25 0.01 0.00 -0.28 0.00 0.00 59.70 59.25 2wck h MET 90 Cb 0.11 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 30.80 2wck h MET 90 CO -0.01 0.85 0.53 0.28 0.23 0.00 0.00 176.91 178.79 2wck h VAL 91 N 0.66 1.19 -0.70 -5.77 2.07 -1.35 -1.01 116.25 111.32 2wck h VAL 91 Ca 0.13 -0.36 0.04 0.00 0.82 0.00 0.00 66.70 67.33 2wck h VAL 91 Cb 0.48 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 2wck h VAL 91 CO 0.02 0.19 0.43 0.50 0.02 0.00 0.00 177.57 178.73 2wck h LYS 92 N 1.06 0.79 -0.12 1.57 3.64 -0.87 0.16 116.57 122.80 2wck h LYS 92 Ca 0.30 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.59 2wck h LYS 92 Cb -0.10 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.54 2wck h LYS 92 CO -0.07 0.52 -0.08 -0.07 -2.27 0.00 0.00 179.45 177.47 2wck h LEU 93 N 0.81 0.28 -0.53 5.20 3.38 -0.77 -0.05 115.31 123.63 2wck h LEU 93 Ca 0.30 -0.45 0.01 0.00 0.09 0.00 0.00 57.88 57.83 2wck h LEU 93 Cb 0.09 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2wck h LEU 93 CO -0.14 0.67 0.34 0.40 0.09 0.00 0.00 178.44 179.80 2wck h ILE 94 N -0.11 1.12 -0.54 1.22 2.04 -1.08 -2.05 117.51 118.10 2wck h ILE 94 Ca 0.02 -0.24 -0.10 0.00 1.00 0.00 0.00 64.86 65.54 2wck h ILE 94 Cb 0.58 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 2wck h ILE 94 CO 0.02 0.13 -0.05 -0.74 0.00 0.00 0.00 178.15 177.51 2wck h HIS 95 N 0.70 1.10 -0.58 1.37 2.76 -0.73 -0.36 115.15 119.41 2wck h HIS 95 Ca 0.20 -0.21 0.08 0.00 -2.20 0.00 0.00 60.37 58.24 2wck h HIS 95 Cb -0.06 -0.28 -0.07 0.00 1.55 0.00 0.00 27.41 28.56 2wck h HIS 95 CO -0.04 1.01 0.23 -0.97 -1.30 0.00 0.00 177.93 176.85 2wck h ASN 96 N 0.87 0.25 -0.69 3.26 -1.24 -0.92 -1.71 115.58 115.40 2wck h ASN 96 Ca 0.15 0.07 -0.05 0.00 0.71 0.00 0.00 56.30 57.18 2wck h ASN 96 Cb 0.61 0.04 -0.03 0.00 0.73 0.00 0.00 38.32 39.67 2wck h ASN 96 CO 0.04 0.16 0.25 0.00 -1.29 0.00 0.00 177.43 176.59 2wck h GLU 98 N 0.99 0.11 -0.01 0.00 5.08 -0.45 -1.93 114.58 118.37 2wck h GLU 98 Ca 0.23 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2wck h GLU 98 Cb 0.24 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 2wck h GLU 98 CO -0.01 0.07 0.01 0.87 -1.00 0.00 0.00 179.01 178.95 2wck h LYS 99 N 0.11 0.00 0.00 2.33 1.57 -0.57 -1.03 116.57 118.97 2wck h LYS 99 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2wck h LYS 99 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2wck h LYS 99 CO -0.18 0.00 0.00 1.96 -0.57 0.00 0.00 179.45 180.66 2wck h GLN 100 N 0.00 0.00 0.00 3.15 4.20 -1.06 -3.25 115.11 118.14 2wck h GLN 100 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2wck h GLN 100 Cb 0.02 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 2wck h GLN 100 CO -0.00 0.00 -0.20 1.19 -0.67 0.00 0.00 178.83 179.15 2wck n PHE 101 N -2.73 0.00 0.30 2.96 3.72 -0.43 -4.71 117.46 116.56 2wck n PHE 101 Ca 0.02 -0.74 0.18 0.00 -0.05 0.00 0.00 57.45 56.87 2wck n PHE 101 Cb 0.31 -0.13 0.90 0.00 -0.94 0.00 0.00 39.48 39.62 2wck n PHE 101 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 2wck h ASP 102 N 0.09 0.00 -0.05 4.37 3.58 -1.49 -2.19 116.42 120.73 2wck h ASP 102 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2wck h ASP 102 Cb 1.14 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.19 2wck h ASP 102 CO 0.00 0.03 0.00 0.35 -2.88 0.00 0.00 179.24 176.74 2wck n THR 103 N -3.20 0.05 -2.72 2.25 -2.24 -1.26 -4.82 114.28 102.34 2wck n THR 103 Ca -0.01 -0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.15 2wck n THR 103 Cb 0.20 0.18 -0.03 0.00 -2.10 0.00 0.00 70.33 68.59 2wck n THR 103 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2wck s GLU 104 N -1.95 4.41 0.21 -0.78 2.56 -0.82 -4.93 118.70 117.40 2wck s GLU 104 Ca 0.37 1.33 0.11 0.00 0.00 0.00 0.00 54.97 56.78 2wck s GLU 104 Cb 0.19 -3.54 -0.02 0.00 2.00 0.00 0.00 34.13 32.76 2wck s GLU 104 CO 0.31 -0.30 1.39 1.79 -0.56 0.00 0.00 175.26 177.89 2wck h THR 105 N 5.10 1.29 -3.58 -1.70 1.35 -1.90 -3.44 112.91 110.03 2wck h THR 105 Ca -0.31 -2.74 -0.64 0.00 -0.55 0.00 0.00 66.41 62.17 2wck h THR 105 Cb 1.15 2.58 -0.14 0.00 -1.73 0.00 0.00 68.15 70.01 2wck h THR 105 CO 0.85 0.72 0.17 -0.62 -0.25 0.00 0.00 175.52 176.39 2wck s ASP 106 N -6.59 6.38 0.25 5.36 3.68 -1.26 -4.94 116.67 119.55 2wck s ASP 106 Ca 0.02 -0.09 -0.03 0.00 2.13 0.00 0.00 52.55 54.58 2wck s ASP 106 Cb 0.09 -2.33 0.43 0.00 -1.45 0.00 0.00 42.92 39.66 2wck s ASP 106 CO 0.78 -0.72 1.82 0.44 0.13 0.00 0.00 175.17 177.61 2wck h ASP 107 N 8.71 0.73 -0.54 -0.34 3.32 -1.99 0.37 116.42 126.69 2wck h ASP 107 Ca -0.26 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 56.79 2wck h ASP 107 Cb 1.10 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.53 2wck h ASP 107 CO 0.88 0.41 0.14 0.00 -1.72 0.00 0.00 179.24 178.95 2wck h THR 109 N 0.76 1.30 -0.42 0.00 2.02 -1.74 -2.12 112.91 112.71 2wck h THR 109 Ca 0.17 -1.20 0.07 0.00 0.77 0.00 0.00 66.41 66.22 2wck h THR 109 Cb 0.33 1.56 -0.06 0.00 -1.74 0.00 0.00 68.15 68.24 2wck h THR 109 CO 0.00 0.37 0.04 -0.09 0.37 0.00 0.00 175.52 176.21 2wck h ARG 110 N 0.24 0.15 -0.29 6.66 2.43 -0.11 -1.89 114.38 121.57 2wck h ARG 110 Ca 0.05 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 2wck h ARG 110 Cb 0.63 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 2wck h ARG 110 CO 0.04 0.10 -0.28 0.28 -1.51 0.00 0.00 179.97 178.60 2wck h VAL 111 N 0.16 1.28 -0.36 0.20 2.07 -0.99 -0.43 116.25 118.18 2wck h VAL 111 Ca 0.21 -1.35 -0.12 0.00 0.82 0.00 0.00 66.70 66.26 2wck h VAL 111 Cb 0.28 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2wck h VAL 111 CO -0.31 0.43 -0.25 1.62 0.02 0.00 0.00 177.57 179.08 2wck h VAL 112 N 0.50 1.27 -0.73 2.57 3.04 -1.24 -0.06 116.25 121.61 2wck h VAL 112 Ca 0.07 -1.36 -0.05 0.00 -1.01 0.00 0.00 66.70 64.35 2wck h VAL 112 Cb 0.74 1.27 -0.03 0.00 -2.01 0.00 0.00 31.29 31.25 2wck h VAL 112 CO 0.06 0.45 0.26 0.11 -1.01 0.00 0.00 177.57 177.44 2wck h LYS 113 N 0.63 1.10 -0.77 4.17 1.57 -0.91 -0.94 116.57 121.41 2wck h LYS 113 Ca 0.08 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 2wck h LYS 113 Cb 0.75 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.85 2wck h LYS 113 CO 0.06 0.91 0.35 0.28 -0.57 0.00 0.00 179.45 180.48 2wck h VAL 114 N 1.07 1.25 -0.50 0.50 2.07 -0.87 -2.30 116.25 117.46 2wck h VAL 114 Ca 0.24 -0.72 -0.09 0.00 0.82 0.00 0.00 66.70 66.95 2wck h VAL 114 Cb 0.25 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 2wck h VAL 114 CO -0.01 0.30 -0.05 0.00 0.02 0.00 0.00 177.57 177.83 2wck h ALA 115 N 1.28 0.67 -0.50 1.67 0.00 -0.55 -0.98 119.26 120.85 2wck h ALA 115 Ca 0.26 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2wck h ALA 115 Cb 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2wck h ALA 115 CO -0.03 0.53 -0.05 0.00 0.00 0.00 0.00 179.25 179.70 2wck h ALA 116 N 0.91 0.96 -0.64 0.00 0.00 -1.02 -1.26 119.26 118.20 2wck h ALA 116 Ca 0.13 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 2wck h ALA 116 Cb 0.59 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2wck h ALA 116 CO 0.04 0.62 0.08 0.00 0.00 0.00 0.00 179.25 179.99 2wck h PHE 118 N 1.00 0.93 -0.45 0.00 3.57 -0.90 0.41 116.94 121.49 2wck h PHE 118 Ca 0.19 -0.30 -0.00 0.00 3.53 0.00 0.00 57.97 61.39 2wck h PHE 118 Cb 0.46 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 2wck h PHE 118 CO 0.03 1.08 0.26 -0.22 -2.23 0.00 0.00 178.31 177.24 2wck h LYS 119 N 0.51 0.61 -0.15 1.11 3.64 -1.05 0.11 116.57 121.35 2wck h LYS 119 Ca 0.03 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2wck h LYS 119 Cb 0.97 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.63 2wck h LYS 119 CO 0.09 0.46 -0.06 1.49 -2.27 0.00 0.00 179.45 179.16 2wck h GLU 120 N 0.59 -0.04 0.00 1.90 4.81 -1.02 -0.95 114.58 119.87 2wck h GLU 120 Ca 0.16 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.27 2wck h GLU 120 Cb 0.01 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 2wck h GLU 120 CO -0.03 -0.03 -0.58 -0.44 -0.73 0.00 0.00 179.01 177.20 2wck h ASP 121 N -0.04 0.00 -0.43 1.04 3.32 -0.74 -1.81 116.42 117.75 2wck h ASP 121 Ca 0.08 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.98 2wck h ASP 121 Cb 0.16 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2wck h ASP 121 CO -0.18 0.58 -0.30 0.28 -1.72 0.00 0.00 179.24 177.90 2wck h SER 122 N 0.00 1.01 -0.29 6.45 0.02 -0.56 -0.93 113.55 119.25 2wck h SER 122 Ca -0.01 -0.43 -0.01 0.00 -0.84 0.00 0.00 61.79 60.51 2wck h SER 122 Cb 1.20 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 2wck h SER 122 CO 0.08 1.23 0.16 0.03 -1.14 0.00 0.00 176.83 177.18 2wck h ARG 123 N 0.81 0.41 -0.89 3.45 3.08 -0.90 -1.03 114.38 119.31 2wck h ARG 123 Ca 0.09 -0.05 0.12 0.00 0.07 0.00 0.00 59.98 60.20 2wck h ARG 123 Cb 0.89 -0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.79 2wck h ARG 123 CO 0.08 0.37 0.57 0.87 -1.07 0.00 0.00 179.97 180.79 2wck h LYS 124 N 0.35 0.78 -0.01 0.04 1.57 -1.18 -2.23 116.57 115.89 2wck h LYS 124 Ca 0.10 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2wck h LYS 124 Cb 0.08 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.21 2wck h LYS 124 CO -0.02 0.51 -0.18 0.39 -0.57 0.00 0.00 179.45 179.59 2wck n GLU 125 N -4.55 1.28 -2.50 3.15 -0.58 -0.37 -4.96 120.64 112.11 2wck n GLU 125 Ca 0.16 -0.83 -0.09 0.00 -0.42 0.00 0.00 57.16 55.98 2wck n GLU 125 Cb 0.37 -1.48 0.01 0.00 -0.57 0.00 0.00 31.44 29.77 2wck n GLU 125 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wck n GLY 126 N 1.30 0.15 0.00 0.62 0.00 -0.61 -4.92 105.19 101.72 2wck n GLY 126 Ca 0.14 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2wck n GLY 126 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2wck n ILE 127 N -3.81 0.99 -2.84 -0.61 -5.35 -0.49 -4.57 119.36 102.68 2wck n ILE 127 Ca -0.06 -1.00 -0.42 0.00 -0.27 0.00 0.00 62.75 61.00 2wck n ILE 127 Cb 0.56 0.49 -0.04 0.00 -1.74 0.00 0.00 39.64 38.91 2wck n ILE 127 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wck s ALA 128 N -1.02 3.54 0.56 -1.28 0.00 -1.16 -4.01 121.76 118.38 2wck s ALA 128 Ca 0.01 0.08 -0.09 0.00 0.00 0.00 0.00 51.96 51.95 2wck s ALA 128 Cb 0.01 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.79 2wck s ALA 128 CO 0.00 -0.72 0.93 -1.25 0.00 0.00 0.00 175.76 174.72 2wck s PRO 129 N 2.34 3.60 0.46 0.00 0.04 -1.26 -4.92 135.00 135.25 2wck s PRO 129 Ca 0.40 0.55 -0.21 0.00 0.04 0.00 0.00 61.00 61.78 2wck s PRO 129 Cb -0.16 -2.20 -0.10 0.00 0.04 0.00 0.00 34.50 32.08 2wck s PRO 129 CO 0.12 -0.41 0.99 -1.21 0.04 0.00 0.00 177.00 176.53 2wck s GLU 130 N -4.94 4.04 0.27 4.56 0.41 -1.26 -4.88 118.70 116.91 2wck s GLU 130 Ca 0.52 1.22 -0.00 0.00 -0.41 0.00 0.00 54.97 56.30 2wck s GLU 130 Cb -0.11 -2.14 0.59 0.00 -1.78 0.00 0.00 34.13 30.69 2wck s GLU 130 CO 0.49 -0.21 1.72 0.28 -0.49 0.00 0.00 175.26 177.06 2wck h VAL 131 N 1.75 0.60 -0.92 2.63 2.07 -1.85 -1.04 116.25 119.49 2wck h VAL 131 Ca -0.49 -0.16 0.13 0.00 0.82 0.00 0.00 66.70 67.00 2wck h VAL 131 Cb 1.20 0.08 -0.09 0.00 -1.52 0.00 0.00 31.29 30.96 2wck h VAL 131 CO 0.60 0.09 0.53 0.00 0.02 0.00 0.00 177.57 178.81 2wck h ALA 132 N 1.62 1.39 -0.22 1.67 0.00 -1.95 -0.72 119.26 121.04 2wck h ALA 132 Ca 0.49 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.31 2wck h ALA 132 Cb 0.81 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2wck h ALA 132 CO -0.45 0.06 -0.44 0.52 0.00 0.00 0.00 179.25 178.94 2wck h MET 133 N 0.80 0.56 -0.46 0.00 2.86 -1.58 -0.47 114.93 116.64 2wck h MET 133 Ca 0.48 -0.30 -0.08 0.00 -2.06 0.00 0.00 59.70 57.73 2wck h MET 133 Cb 0.57 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 2wck h MET 133 CO -0.31 0.89 -0.04 0.28 1.06 0.00 0.00 176.91 178.79 2wck h VAL 134 N 0.45 1.27 -0.47 -2.22 2.07 -1.04 -2.99 116.25 113.31 2wck h VAL 134 Ca 0.03 -1.12 -0.05 0.00 0.82 0.00 0.00 66.70 66.37 2wck h VAL 134 Cb 0.95 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 2wck h VAL 134 CO 0.08 0.39 0.07 -0.08 0.02 0.00 0.00 177.57 178.06 2wck h GLU 135 N 0.68 0.74 0.00 1.57 4.81 -0.62 -2.44 114.58 119.32 2wck h GLU 135 Ca 0.12 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 2wck h GLU 135 Cb 0.56 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 2wck h GLU 135 CO 0.03 0.70 -0.05 0.00 -0.73 0.00 0.00 179.01 178.96 2wck h ALA 136 N 1.38 1.36 -0.20 2.92 0.00 -0.95 -2.09 119.26 121.69 2wck h ALA 136 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2wck h ALA 136 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2wck h ALA 136 CO 0.00 0.07 0.00 1.33 0.00 0.00 0.00 179.25 180.65 2wck n VAL 137 N -3.68 1.63 -0.05 0.00 0.24 -0.96 -4.74 118.33 110.78 2wck n VAL 137 Ca -0.02 -1.55 0.07 0.00 -2.04 0.00 0.00 64.34 60.80 2wck n VAL 137 Cb 0.15 0.09 0.44 0.00 -1.47 0.00 0.00 33.84 33.05 2wck n VAL 137 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 2wck h ILE 138 N 1.27 1.03 0.00 1.34 2.04 -0.94 -2.92 117.51 119.33 2wck h ILE 138 Ca 0.00 -0.18 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 2wck h ILE 138 Cb 1.01 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 2wck h ILE 138 CO 0.08 0.10 -0.00 -0.33 0.00 0.00 0.00 178.15 178.00 2wck h GLU 139 N 0.54 0.00 -6.92 2.37 5.08 -1.85 -3.46 114.58 110.34 2wck h GLU 139 Ca 0.21 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 58.08 2wck h GLU 139 Cb 0.18 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.46 2wck h GLU 139 CO -0.06 0.00 0.46 0.15 -1.00 0.00 0.00 179.01 178.57 2wck s LYS 140 N -3.84 4.23 0.00 2.33 1.02 -1.10 -5.22 119.74 117.15 2wck s LYS 140 Ca -0.01 1.71 0.00 0.00 0.02 0.00 0.00 55.97 57.69 2wck s LYS 140 Cb 0.10 -2.74 0.00 0.00 -0.52 0.00 0.00 37.83 34.67 2wck s LYS 140 CO 0.50 -0.13 0.00 0.66 -0.92 0.00 0.00 175.35 175.46