#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wcl h ALA 2 N 0.00 1.01 -0.56 6.98 0.00 -1.82 -0.82 119.26 124.05 2wcl h ALA 2 Ca 0.00 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 2wcl h ALA 2 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2wcl h ALA 2 CO 0.00 0.59 -0.01 1.49 0.00 0.00 0.00 179.25 181.32 2wcl h GLU 3 N 0.67 0.99 -0.59 0.00 4.81 -1.96 -0.61 114.58 117.88 2wcl h GLU 3 Ca 0.11 -0.32 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 2wcl h GLU 3 Cb 0.60 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 2wcl h GLU 3 CO 0.04 1.00 0.30 0.28 -0.73 0.00 0.00 179.01 179.89 2wcl h VAL 4 N 0.88 1.21 -0.10 0.32 2.07 -1.77 -1.93 116.25 116.92 2wcl h VAL 4 Ca 0.16 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 2wcl h VAL 4 Cb 0.55 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2wcl h VAL 4 CO 0.03 0.23 -0.09 -0.03 0.02 0.00 0.00 177.57 177.73 2wcl h MET 5 N 0.81 0.15 -0.36 1.57 1.85 -0.83 -1.40 114.93 116.72 2wcl h MET 5 Ca 0.20 -0.03 -0.03 0.00 -0.61 0.00 0.00 59.70 59.24 2wcl h MET 5 Cb 0.10 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.09 2wcl h MET 5 CO -0.03 0.26 0.12 0.77 -0.40 0.00 0.00 176.91 177.63 2wcl h SER 6 N 0.15 0.51 -0.45 1.39 0.02 -0.36 -1.45 113.55 113.35 2wcl h SER 6 Ca 0.03 -0.19 -0.05 0.00 -0.84 0.00 0.00 61.79 60.74 2wcl h SER 6 Cb 0.27 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 2wcl h SER 6 CO 0.01 0.57 0.10 0.45 -1.14 0.00 0.00 176.83 176.82 2wcl h HIS 7 N 0.43 0.77 -0.55 3.45 3.86 -0.80 0.10 115.15 122.42 2wcl h HIS 7 Ca 0.12 -0.10 0.01 0.00 -1.16 0.00 0.00 60.37 59.24 2wcl h HIS 7 Cb 0.23 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.45 2wcl h HIS 7 CO 0.00 0.71 0.35 0.28 0.86 0.00 0.00 177.93 180.14 2wcl h VAL 8 N 0.61 1.11 -0.12 2.45 2.07 -1.21 -1.91 116.25 119.24 2wcl h VAL 8 Ca 0.14 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2wcl h VAL 8 Cb 0.34 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2wcl h VAL 8 CO 0.00 0.13 0.02 0.74 0.02 0.00 0.00 177.57 178.48 2wcl h THR 9 N 0.71 1.22 -0.79 2.57 2.02 -0.92 -1.14 112.91 116.58 2wcl h THR 9 Ca 0.21 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.70 2wcl h THR 9 Cb -0.05 1.45 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 2wcl h THR 9 CO -0.06 0.20 0.50 0.00 0.37 0.00 0.00 175.52 176.53 2wcl h ALA 10 N 0.80 1.39 0.08 6.16 0.00 -0.59 0.57 119.26 127.66 2wcl h ALA 10 Ca 0.04 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 2wcl h ALA 10 Cb 0.29 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.78 2wcl h ALA 10 CO 0.00 0.54 -0.46 1.25 0.00 0.00 0.00 179.25 180.58 2wcl h HIS 11 N 1.08 0.32 -0.97 0.00 6.17 -1.26 -3.24 115.15 117.25 2wcl h HIS 11 Ca 0.29 -0.23 0.02 0.00 0.71 0.00 0.00 60.37 61.16 2wcl h HIS 11 Cb -0.08 -0.02 -0.05 0.00 2.52 0.00 0.00 27.41 29.78 2wcl h HIS 11 CO 0.00 1.16 0.64 0.35 0.71 0.00 0.00 177.93 180.80 2wcl h PHE 12 N -0.61 1.21 0.00 5.26 3.57 -1.09 -2.06 116.94 123.23 2wcl h PHE 12 Ca -0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.45 2wcl h PHE 12 Cb 1.35 -0.41 0.00 0.00 2.79 0.00 0.00 35.95 39.68 2wcl h PHE 12 CO 0.23 0.74 0.00 0.78 -2.23 0.00 0.00 178.31 177.83 2wcl h GLY 13 N 1.29 0.00 2.00 2.40 0.00 -0.92 -2.69 103.07 105.16 2wcl h GLY 13 Ca 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.69 2wcl h GLY 13 CO -0.09 0.00 -0.01 0.50 0.00 0.00 0.00 176.54 176.94 2wcl h LYS 14 N 0.00 0.00 -0.00 4.80 1.57 -1.40 -2.02 116.57 119.53 2wcl h LYS 14 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wcl h LYS 14 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2wcl h LYS 14 CO 0.00 0.01 -0.03 0.25 -0.57 0.00 0.00 179.45 179.11 2wcl n THR 15 N -4.29 0.00 -0.14 -0.16 -2.24 -1.01 -4.09 114.28 102.35 2wcl n THR 15 Ca -0.03 -0.05 -0.05 0.00 -2.27 0.00 0.00 64.05 61.65 2wcl n THR 15 Cb 0.10 -0.27 0.04 0.00 -2.10 0.00 0.00 70.33 68.10 2wcl n THR 15 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2wcl h LEU 16 N 0.44 0.25 -0.97 3.22 5.85 -1.56 -3.02 115.31 119.52 2wcl h LEU 16 Ca 0.00 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 2wcl h LEU 16 Cb 0.21 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2wcl h LEU 16 CO 0.00 0.18 -0.18 -0.33 -0.34 0.00 0.00 178.44 177.77 2wcl h GLU 17 N 0.39 0.55 0.00 1.25 4.39 -1.81 -1.12 114.58 118.23 2wcl h GLU 17 Ca 0.20 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2wcl h GLU 17 Cb 0.15 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2wcl h GLU 17 CO -0.17 0.70 0.00 -0.85 -1.16 0.00 0.00 179.01 177.53 2wcl n GLU 18 N -4.16 0.00 0.00 2.33 0.28 -1.17 -2.95 120.64 114.97 2wcl n GLU 18 Ca 0.00 0.12 0.09 0.00 -0.16 0.00 0.00 57.16 57.21 2wcl n GLU 18 Cb 0.37 -1.51 -0.03 0.00 1.43 0.00 0.00 31.44 31.70 2wcl n GLU 18 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2wcl h ARG 20 N 1.51 0.29 -0.60 0.00 3.08 -1.39 -2.42 114.38 114.86 2wcl h ARG 20 Ca 0.00 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 2wcl h ARG 20 Cb 0.59 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 2wcl h ARG 20 CO 0.00 0.36 0.21 1.49 -1.07 0.00 0.00 179.97 180.96 2wcl h GLU 21 N 0.16 0.92 0.00 0.04 4.81 -1.82 -0.50 114.58 118.18 2wcl h GLU 21 Ca 0.06 -0.18 -0.06 0.00 -0.13 0.00 0.00 59.36 59.05 2wcl h GLU 21 Cb 0.18 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2wcl h GLU 21 CO -0.00 0.80 -0.27 1.05 -0.73 0.00 0.00 179.01 179.85 2wcl h GLU 22 N 0.84 0.00 0.00 1.92 4.11 -1.86 -3.19 114.58 116.41 2wcl h GLU 22 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 2wcl h GLU 22 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2wcl h GLU 22 CO -0.01 0.27 -0.88 -1.13 0.07 0.00 0.00 179.01 177.33 2wcl n SER 23 N -3.19 0.63 -0.34 3.06 3.41 -0.91 -4.98 113.62 111.31 2wcl n SER 23 Ca 0.03 -0.18 -0.04 0.00 -0.26 0.00 0.00 58.87 58.42 2wcl n SER 23 Cb 0.62 0.61 -0.02 0.00 -0.26 0.00 0.00 64.21 65.16 2wcl n SER 23 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wcl n GLY 24 N 1.38 0.67 3.53 5.00 0.00 -0.23 -4.57 105.19 110.98 2wcl n GLY 24 Ca 0.03 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 2wcl n GLY 24 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wcl s LEU 25 N -1.00 4.16 0.52 0.99 2.96 -1.16 -4.95 118.68 120.21 2wcl s LEU 25 Ca 0.00 -2.15 -0.19 0.00 -0.22 0.00 0.00 54.13 51.57 2wcl s LEU 25 Cb 0.00 -2.51 -0.11 0.00 0.50 0.00 0.00 46.19 44.07 2wcl s LEU 25 CO 0.00 -1.19 0.35 -1.20 -1.32 0.00 0.00 176.35 172.99 2wcl n SER 26 N 7.74 -1.75 0.18 3.68 7.64 -1.26 -4.77 113.62 125.07 2wcl n SER 26 Ca 0.37 0.75 0.06 0.00 1.01 0.00 0.00 58.87 61.06 2wcl n SER 26 Cb 0.48 -1.07 0.53 0.00 -1.01 0.00 0.00 64.21 63.14 2wcl n SER 26 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2wcl h VAL 27 N 0.28 1.08 0.00 0.44 2.07 -1.94 -1.70 116.25 116.47 2wcl h VAL 27 Ca -0.43 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.79 2wcl h VAL 27 Cb 1.41 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 2wcl h VAL 27 CO 0.46 0.10 0.00 0.47 0.02 0.00 0.00 177.57 178.62 2wcl n ASP 28 N -4.44 0.24 -0.09 0.57 8.00 -1.26 -2.54 116.55 117.03 2wcl n ASP 28 Ca -0.01 0.54 -0.20 0.00 0.71 0.00 0.00 54.79 55.82 2wcl n ASP 28 Cb 0.15 -0.60 -0.12 0.00 -0.02 0.00 0.00 41.12 40.53 2wcl n ASP 28 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2wcl h ILE 29 N 0.00 1.09 -2.46 0.53 2.04 -1.67 -3.47 117.51 113.57 2wcl h ILE 29 Ca 0.00 -2.22 -0.24 0.00 1.00 0.00 0.00 64.86 63.39 2wcl h ILE 29 Cb 0.42 2.48 -0.33 0.00 -0.74 0.00 0.00 36.82 38.65 2wcl h ILE 29 CO 0.00 0.40 -0.56 -0.22 0.00 0.00 0.00 178.15 177.77 2wcl s LEU 30 N -7.91 -0.31 -0.14 1.44 2.96 -1.02 -5.06 118.68 108.64 2wcl s LEU 30 Ca -0.26 0.15 -0.14 0.00 -0.22 0.00 0.00 54.13 53.66 2wcl s LEU 30 Cb 0.04 0.68 -0.12 0.00 0.50 0.00 0.00 46.19 47.29 2wcl s LEU 30 CO 0.62 -0.29 0.25 -0.78 -1.32 0.00 0.00 176.35 174.83 2wcl h ASP 31 N 8.27 0.00 -4.29 3.68 1.82 -1.77 -3.39 116.42 120.74 2wcl h ASP 31 Ca -0.17 -0.40 -0.69 0.00 -0.39 0.00 0.00 57.03 55.38 2wcl h ASP 31 Cb 1.14 0.00 -0.30 0.00 0.68 0.00 0.00 39.33 40.85 2wcl h ASP 31 CO 0.23 0.85 -0.88 -1.61 -1.61 0.00 0.00 179.24 176.23 2wcl s GLU 32 N -2.00 2.35 0.46 0.28 0.41 -1.26 -5.02 118.70 113.92 2wcl s GLU 32 Ca -0.13 -0.90 0.20 0.00 -0.41 0.00 0.00 54.97 53.73 2wcl s GLU 32 Cb 0.00 -2.13 1.18 0.00 -1.78 0.00 0.00 34.13 31.40 2wcl s GLU 32 CO 0.35 0.48 1.94 0.35 -0.49 0.00 0.00 175.26 177.89 2wcl h PHE 33 N 5.74 0.32 -0.39 1.61 3.57 -1.89 -1.65 116.94 124.24 2wcl h PHE 33 Ca -0.38 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.24 2wcl h PHE 33 Cb 1.15 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 2wcl h PHE 33 CO 0.42 0.12 0.28 1.57 -2.23 0.00 0.00 178.31 178.46 2wcl h LYS 34 N 0.27 0.02 0.00 1.11 2.10 -1.94 -0.60 116.57 117.52 2wcl h LYS 34 Ca 0.35 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.99 2wcl h LYS 34 Cb 0.97 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.30 2wcl h LYS 34 CO -0.08 0.01 0.00 1.25 -2.00 0.00 0.00 179.45 178.63 2wcl h HIS 35 N 0.02 0.00 -0.96 0.07 2.76 -1.69 -2.47 115.15 112.87 2wcl h HIS 35 Ca 0.19 0.00 0.31 0.00 -2.20 0.00 0.00 60.37 58.67 2wcl h HIS 35 Cb 0.72 0.00 -0.17 0.00 1.55 0.00 0.00 27.41 29.52 2wcl h HIS 35 CO -0.00 0.00 0.32 0.35 -1.30 0.00 0.00 177.93 177.30 2wcl h PHE 36 N 0.00 0.47 0.00 5.26 3.57 -1.27 -0.33 116.94 124.64 2wcl h PHE 36 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2wcl h PHE 36 Cb 0.25 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.94 2wcl h PHE 36 CO 0.00 -0.34 0.00 0.91 -2.23 0.00 0.00 178.31 176.65 2wcl n TRP 37 N -5.28 0.00 -2.31 0.41 7.02 -0.93 -4.87 117.44 111.48 2wcl n TRP 37 Ca 0.28 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.38 2wcl n TRP 37 Cb 0.92 -0.15 -0.02 0.00 -2.42 0.00 0.00 31.31 29.65 2wcl n TRP 37 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2wcl s SER 38 N -2.29 6.55 0.66 -0.99 0.15 -0.14 -4.75 113.70 112.89 2wcl s SER 38 Ca 0.36 2.33 0.41 0.00 0.70 0.00 0.00 55.95 59.74 2wcl s SER 38 Cb 0.20 -2.61 2.23 0.00 -1.71 0.00 0.00 66.02 64.12 2wcl s SER 38 CO 0.39 -0.65 2.27 0.44 1.20 0.00 0.00 173.24 176.89 2wcl h ASP 39 N 2.65 0.00 -0.60 5.45 3.45 -1.91 -2.37 116.42 123.09 2wcl h ASP 39 Ca -0.49 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.97 2wcl h ASP 39 Cb 1.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 2wcl h ASP 39 CO 0.63 0.00 0.00 0.47 -1.57 0.00 0.00 179.24 178.77 2wcl n ASP 40 N -3.12 3.67 -4.32 6.45 8.00 -1.26 -4.88 116.55 121.08 2wcl n ASP 40 Ca -0.03 -2.04 -0.34 0.00 0.71 0.00 0.00 54.79 53.10 2wcl n ASP 40 Cb 0.14 -0.41 -0.14 0.00 -0.02 0.00 0.00 41.12 40.69 2wcl n ASP 40 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2wcl s PHE 41 N -1.07 2.90 -0.20 1.24 5.36 -0.89 -5.08 117.98 120.24 2wcl s PHE 41 Ca 0.41 -0.87 -0.19 0.00 -0.96 0.00 0.00 56.93 55.31 2wcl s PHE 41 Cb 0.22 -2.00 -0.03 0.00 -0.34 0.00 0.00 43.02 40.87 2wcl s PHE 41 CO 0.27 -0.43 0.56 -0.51 -1.46 0.00 0.00 175.22 173.64 2wcl s ASP 42 N 1.03 6.60 -0.85 6.13 1.01 -1.26 -4.84 116.67 124.49 2wcl s ASP 42 Ca -0.00 0.72 -0.20 0.00 0.71 0.00 0.00 52.55 53.78 2wcl s ASP 42 Cb -0.15 -2.31 0.11 0.00 1.01 0.00 0.00 42.92 41.58 2wcl s ASP 42 CO -0.01 -0.22 1.09 -0.69 0.21 0.00 0.00 175.17 175.55 2wcl s VAL 43 N 1.79 4.59 0.00 -1.27 1.01 -1.26 -4.58 120.40 120.67 2wcl s VAL 43 Ca 0.26 -1.21 0.00 0.00 0.00 0.00 0.00 61.98 61.03 2wcl s VAL 43 Cb -0.16 -4.76 0.00 0.00 0.00 0.00 0.00 36.38 31.46 2wcl s VAL 43 CO 0.10 -1.51 0.00 1.33 0.00 0.00 0.00 175.10 175.02 2wcl n VAL 44 N 5.68 0.00 -2.68 2.92 0.24 -1.26 -4.55 118.33 118.68 2wcl n VAL 44 Ca 0.16 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 62.06 2wcl n VAL 44 Cb 0.48 0.14 -0.05 0.00 -1.47 0.00 0.00 33.84 32.94 2wcl n VAL 44 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2wcl s HIS 45 N 0.00 3.81 0.27 6.34 3.76 -1.26 -4.91 115.29 123.29 2wcl s HIS 45 Ca 0.00 1.79 -0.00 0.00 -0.15 0.00 0.00 55.06 56.70 2wcl s HIS 45 Cb 0.00 -3.09 0.51 0.00 1.11 0.00 0.00 32.58 31.11 2wcl s HIS 45 CO 0.00 0.08 1.83 -0.09 -0.85 0.00 0.00 174.74 175.71 2wcl h ARG 46 N 5.03 0.95 -0.95 1.40 2.43 -1.95 -1.00 114.38 120.28 2wcl h ARG 46 Ca -0.44 -0.06 0.19 0.00 -0.81 0.00 0.00 59.98 58.86 2wcl h ARG 46 Cb 1.21 -0.21 -0.08 0.00 -0.42 0.00 0.00 29.97 30.46 2wcl h ARG 46 CO 0.71 0.63 0.61 0.93 -1.51 0.00 0.00 179.97 181.33 2wcl h GLU 47 N 0.97 0.59 -0.02 0.20 3.07 -1.91 -0.16 114.58 117.31 2wcl h GLU 47 Ca 0.47 -0.04 -0.19 0.00 -0.50 0.00 0.00 59.36 59.10 2wcl h GLU 47 Cb 0.43 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.20 2wcl h GLU 47 CO -0.25 0.39 -0.83 1.25 -1.40 0.00 0.00 179.01 178.17 2wcl h LEU 48 N 0.61 0.38 -0.55 1.33 5.85 -1.49 -0.65 115.31 120.77 2wcl h LEU 48 Ca 0.51 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.99 2wcl h LEU 48 Cb 0.99 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 2wcl h LEU 48 CO -0.26 1.05 0.30 1.23 -0.34 0.00 0.00 178.44 180.42 2wcl h GLY 49 N 1.52 0.79 1.01 3.75 0.00 -1.05 0.80 103.07 109.90 2wcl h GLY 49 Ca -0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 2wcl h GLY 49 CO 0.13 0.15 0.50 0.00 0.00 0.00 0.00 176.54 177.32 2wcl h ALA 51 N 1.27 0.88 -0.36 0.00 0.00 -0.65 -2.15 119.26 118.25 2wcl h ALA 51 Ca 0.29 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2wcl h ALA 51 Cb -0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 2wcl h ALA 51 CO -0.06 0.49 0.08 0.82 0.00 0.00 0.00 179.25 180.59 2wcl h ILE 52 N 0.96 1.17 0.52 0.00 2.04 -0.43 0.26 117.51 122.03 2wcl h ILE 52 Ca 0.23 -0.61 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 2wcl h ILE 52 Cb 0.20 0.82 0.01 0.00 -0.74 0.00 0.00 36.82 37.10 2wcl h ILE 52 CO -0.02 0.22 -0.25 0.40 0.00 0.00 0.00 178.15 178.50 2wcl h ILE 53 N 0.51 0.48 -0.50 -0.67 2.04 -1.02 0.12 117.51 118.47 2wcl h ILE 53 Ca 0.12 -0.05 0.09 0.00 1.00 0.00 0.00 64.86 66.03 2wcl h ILE 53 Cb 0.21 0.51 -0.08 0.00 -0.74 0.00 0.00 36.82 36.72 2wcl h ILE 53 CO -0.00 0.01 0.03 0.00 0.00 0.00 0.00 178.15 178.19 2wcl h MET 55 N 0.15 0.39 -0.80 0.00 2.86 -0.84 -2.83 114.93 113.85 2wcl h MET 55 Ca 0.26 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 2wcl h MET 55 Cb 0.38 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 2wcl h MET 55 CO -0.39 0.43 0.39 0.77 1.06 0.00 0.00 176.91 179.16 2wcl h SER 56 N 0.26 1.05 0.65 1.22 0.02 -0.45 -2.54 113.55 113.77 2wcl h SER 56 Ca 0.09 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 60.85 2wcl h SER 56 Cb 0.19 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 2wcl h SER 56 CO -0.01 0.88 -0.32 0.78 -1.14 0.00 0.00 176.83 177.03 2wcl h ASN 57 N 1.15 0.00 -0.86 3.07 2.35 -1.02 -0.10 115.58 120.18 2wcl h ASN 57 Ca 0.28 0.00 0.10 0.00 -0.55 0.00 0.00 56.30 56.12 2wcl h ASN 57 Cb 0.11 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.42 2wcl h ASN 57 CO -0.04 0.32 0.56 0.11 -1.65 0.00 0.00 177.43 176.73 2wcl h LYS 58 N 0.00 0.80 -0.55 0.81 1.79 -1.22 -2.65 116.57 115.54 2wcl h LYS 58 Ca -0.00 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2wcl h LYS 58 Cb 0.73 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 2wcl h LYS 58 CO 0.04 0.53 0.00 1.19 -1.08 0.00 0.00 179.45 180.13 2wcl n PHE 59 N -4.52 0.80 -3.27 -1.35 3.72 -0.68 -4.97 117.46 107.19 2wcl n PHE 59 Ca 0.15 -0.52 -0.24 0.00 -0.05 0.00 0.00 57.45 56.79 2wcl n PHE 59 Cb 0.32 -0.04 0.02 0.00 -0.94 0.00 0.00 39.48 38.84 2wcl n PHE 59 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2wcl n SER 60 N 1.07 -5.06 -0.09 4.37 7.64 -0.80 -4.89 113.62 115.87 2wcl n SER 60 Ca 0.19 -0.39 0.13 0.00 1.01 0.00 0.00 58.87 59.81 2wcl n SER 60 Cb 0.57 -4.11 0.35 0.00 -1.01 0.00 0.00 64.21 60.01 2wcl n SER 60 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2wcl n LEU 61 N -4.03 0.62 -4.51 -3.43 4.77 -0.14 -4.77 117.00 105.51 2wcl n LEU 61 Ca -0.05 -0.04 -0.29 0.00 -0.03 0.00 0.00 56.01 55.60 2wcl n LEU 61 Cb 0.58 -0.22 -0.11 0.00 -2.33 0.00 0.00 43.42 41.33 2wcl n LEU 61 CO 0.52 0.13 -0.47 -0.04 -1.33 0.00 0.00 177.39 176.20 2wcl s MET 62 N -2.80 1.85 0.55 3.23 -1.94 -1.26 -0.30 119.30 118.64 2wcl s MET 62 Ca 0.17 -1.20 0.03 0.00 -1.71 0.00 0.00 55.69 52.99 2wcl s MET 62 Cb 0.18 -2.13 0.10 0.00 2.01 0.00 0.00 34.83 35.00 2wcl s MET 62 CO 0.61 0.47 0.76 -3.47 -0.01 0.00 0.00 175.02 173.38 2wcl n ASP 63 N 0.63 1.40 0.12 3.03 -0.08 0.98 -4.61 116.55 118.02 2wcl n ASP 63 Ca -0.14 -2.09 0.12 0.00 -1.51 0.00 0.00 54.79 51.16 2wcl n ASP 63 Cb 0.53 -0.46 0.48 0.00 2.34 0.00 0.00 41.12 44.02 2wcl n ASP 63 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2wcl n ASP 64 N -2.71 0.65 -0.80 1.67 9.92 -1.26 -1.23 116.55 122.78 2wcl n ASP 64 Ca 0.14 0.65 0.05 0.00 -0.53 0.00 0.00 54.79 55.10 2wcl n ASP 64 Cb 0.49 -0.79 0.17 0.00 -0.64 0.00 0.00 41.12 40.35 2wcl n ASP 64 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2wcl n ASP 65 N -2.21 2.28 -3.82 -2.24 5.68 -1.26 -4.91 116.55 110.07 2wcl n ASP 65 Ca 0.02 -2.12 -0.28 0.00 -0.50 0.00 0.00 54.79 51.91 2wcl n ASP 65 Cb 0.24 -0.34 0.04 0.00 -1.14 0.00 0.00 41.12 39.92 2wcl n ASP 65 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 2wcl n VAL 66 N 0.47 -2.53 -4.30 2.12 0.31 -0.37 -5.00 118.33 109.04 2wcl n VAL 66 Ca 0.12 -0.06 -0.16 0.00 -0.01 0.00 0.00 64.34 64.23 2wcl n VAL 66 Cb 0.41 -3.20 -0.10 0.00 -0.91 0.00 0.00 33.84 30.04 2wcl n VAL 66 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2wcl s ARG 67 N -6.48 1.20 0.21 5.55 0.52 -1.26 -4.92 118.95 113.78 2wcl s ARG 67 Ca 0.58 -1.53 -0.32 0.00 -0.52 0.00 0.00 55.73 53.93 2wcl s ARG 67 Cb -0.28 -0.83 -0.14 0.00 0.52 0.00 0.00 34.95 34.21 2wcl s ARG 67 CO 0.81 0.10 1.29 -0.12 0.02 0.00 0.00 175.30 177.40 2wcl n MET 68 N -0.30 1.61 -2.67 3.54 0.00 -1.26 -0.02 117.12 118.01 2wcl n MET 68 Ca -0.09 0.57 -0.43 0.00 -0.00 0.00 0.00 57.70 57.76 2wcl n MET 68 Cb 0.61 -2.15 -0.03 0.00 0.00 0.00 0.00 33.22 31.65 2wcl n MET 68 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 2wcl s HIS 69 N -0.12 2.80 0.09 1.12 2.46 0.59 -4.55 115.29 117.68 2wcl s HIS 69 Ca 0.71 0.52 -0.19 0.00 0.47 0.00 0.00 55.06 56.56 2wcl s HIS 69 Cb -0.75 -4.30 -0.08 0.00 -0.13 0.00 0.00 32.58 27.32 2wcl s HIS 69 CO 0.51 -1.29 1.55 0.45 -2.47 0.00 0.00 174.74 173.49 2wcl h HIS 70 N 9.25 0.44 -0.27 3.88 3.86 -1.92 0.13 115.15 130.53 2wcl h HIS 70 Ca -0.24 -0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 58.89 2wcl h HIS 70 Cb 1.06 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 29.40 2wcl h HIS 70 CO 0.95 0.54 0.08 0.28 0.86 0.00 0.00 177.93 180.65 2wcl h VAL 71 N 0.21 1.20 -0.23 2.45 2.07 -1.98 -0.22 116.25 119.75 2wcl h VAL 71 Ca 0.07 -0.63 -0.08 0.00 0.82 0.00 0.00 66.70 66.88 2wcl h VAL 71 Cb 0.35 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 2wcl h VAL 71 CO 0.01 0.21 -0.21 0.78 0.02 0.00 0.00 177.57 178.37 2wcl h ASN 72 N 0.27 0.41 -0.31 0.57 2.35 -1.82 -1.99 115.58 115.04 2wcl h ASN 72 Ca 0.09 -0.12 -0.11 0.00 -0.55 0.00 0.00 56.30 55.61 2wcl h ASN 72 Cb 0.24 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 2wcl h ASN 72 CO -0.00 0.63 -0.23 -0.03 -1.65 0.00 0.00 177.43 176.15 2wcl h MET 73 N 0.37 0.71 -0.38 0.81 4.05 -0.52 -0.48 114.93 119.49 2wcl h MET 73 Ca 0.06 -0.34 0.05 0.00 -0.28 0.00 0.00 59.70 59.19 2wcl h MET 73 Cb 0.58 -0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.33 2wcl h MET 73 CO 0.04 0.95 0.09 0.22 0.23 0.00 0.00 176.91 178.44 2wcl h ASP 74 N 0.47 0.04 -0.42 1.39 3.58 -0.84 -0.29 116.42 120.36 2wcl h ASP 74 Ca 0.06 0.06 -0.09 0.00 0.42 0.00 0.00 57.03 57.48 2wcl h ASP 74 Cb 0.78 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.88 2wcl h ASP 74 CO 0.06 0.06 -0.07 -0.33 -2.88 0.00 0.00 179.24 176.08 2wcl h GLU 75 N 0.22 0.86 -0.11 0.28 5.08 -1.28 -1.45 114.58 118.17 2wcl h GLU 75 Ca 0.18 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2wcl h GLU 75 Cb 0.20 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 2wcl h GLU 75 CO -0.22 0.90 0.04 -0.92 -1.00 0.00 0.00 179.01 177.80 2wcl h TYR 76 N 0.78 0.17 -0.80 4.33 3.20 -0.61 -2.58 116.97 121.47 2wcl h TYR 76 Ca 0.14 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 2wcl h TYR 76 Cb 0.56 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.75 2wcl h TYR 76 CO 0.03 0.30 0.42 0.82 -1.64 0.00 0.00 178.16 178.09 2wcl h ILE 77 N 0.00 1.24 0.00 1.81 2.04 -0.93 -1.42 117.51 120.25 2wcl h ILE 77 Ca 0.04 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.27 2wcl h ILE 77 Cb 0.20 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 2wcl h ILE 77 CO -0.00 0.27 0.00 0.29 0.00 0.00 0.00 178.15 178.71 2wcl n LYS 78 N -4.40 0.07 0.00 2.37 5.02 -0.56 -2.16 118.16 118.50 2wcl n LYS 78 Ca 0.08 0.45 0.15 0.00 -2.02 0.00 0.00 58.31 56.96 2wcl n LYS 78 Cb 0.11 -1.67 0.72 0.00 -0.02 0.00 0.00 35.03 34.16 2wcl n LYS 78 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2wcl n SER 79 N -1.81 0.33 -4.82 4.39 3.41 -0.53 -4.61 113.62 109.97 2wcl n SER 79 Ca 0.01 -0.64 -0.26 0.00 -0.26 0.00 0.00 58.87 57.73 2wcl n SER 79 Cb 0.10 -0.10 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 2wcl n SER 79 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2wcl s PHE 80 N -2.35 3.19 0.06 7.33 0.08 -0.92 -5.03 117.98 120.35 2wcl s PHE 80 Ca 0.34 -0.01 -0.35 0.00 0.12 0.00 0.00 56.93 57.03 2wcl s PHE 80 Cb 0.21 -1.52 -0.15 0.00 -0.57 0.00 0.00 43.02 40.99 2wcl s PHE 80 CO 0.44 0.52 1.56 -2.30 -0.10 0.00 0.00 175.22 175.33 2wcl n PRO 81 N -0.47 1.74 -1.35 0.24 -0.02 -1.26 -1.23 135.00 132.65 2wcl n PRO 81 Ca -0.08 0.63 -0.12 0.00 -2.02 0.00 0.00 63.50 61.91 2wcl n PRO 81 Cb 0.55 -2.36 -0.05 0.00 -0.02 0.00 0.00 33.50 31.62 2wcl n PRO 81 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2wcl n ASN 82 N 3.73 -4.65 0.11 2.55 3.02 -1.26 -4.71 115.26 114.05 2wcl n ASN 82 Ca 0.19 0.30 0.05 0.00 -0.03 0.00 0.00 54.58 55.09 2wcl n ASN 82 Cb 0.24 -3.22 0.48 0.00 -0.61 0.00 0.00 39.78 36.67 2wcl n ASN 82 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2wcl h GLY 83 N 0.00 0.32 1.06 7.41 0.00 -1.35 -2.39 103.07 108.12 2wcl h GLY 83 Ca -0.25 -0.14 0.13 0.00 0.00 0.00 0.00 47.33 47.08 2wcl h GLY 83 CO 0.36 0.13 0.34 0.06 0.00 0.00 0.00 176.54 177.44 2wcl h GLN 84 N 0.30 0.00 0.00 4.80 -0.00 -1.83 -1.07 115.11 117.31 2wcl h GLN 84 Ca 0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.69 2wcl h GLN 84 Cb 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.54 2wcl h GLN 84 CO -0.01 0.00 -0.17 -0.39 -0.00 0.00 0.00 178.83 178.26 2wcl h VAL 85 N 0.00 0.35 0.00 1.86 -1.51 -1.84 -3.28 116.25 111.83 2wcl h VAL 85 Ca 0.22 -1.15 -0.28 0.00 -1.23 0.00 0.00 66.70 64.26 2wcl h VAL 85 Cb 0.90 1.88 -0.05 0.00 -2.13 0.00 0.00 31.29 31.89 2wcl h VAL 85 CO -0.00 0.16 -2.23 -0.11 -1.23 0.00 0.00 177.57 174.16 2wcl n LEU 86 N -3.22 0.00 -0.00 4.19 7.94 -0.51 -4.57 117.00 120.82 2wcl n LEU 86 Ca 0.02 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.82 2wcl n LEU 86 Cb 0.48 0.37 -0.04 0.00 0.53 0.00 0.00 43.42 44.76 2wcl n LEU 86 CO 0.33 0.37 0.82 0.00 -1.11 0.00 0.00 177.39 177.81 2wcl h ALA 87 N 1.14 0.04 -0.38 1.96 0.00 -1.33 0.34 119.26 121.02 2wcl h ALA 87 Ca -0.41 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 2wcl h ALA 87 Cb 1.92 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.84 2wcl h ALA 87 CO 0.02 -0.52 0.04 1.49 0.00 0.00 0.00 179.25 180.29 2wcl h GLU 88 N -0.06 0.64 -0.32 0.00 4.81 -1.86 -2.28 114.58 115.52 2wcl h GLU 88 Ca 0.07 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 2wcl h GLU 88 Cb 0.15 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2wcl h GLU 88 CO -0.15 0.71 0.13 -0.22 -0.73 0.00 0.00 179.01 178.75 2wcl h LYS 89 N 0.48 0.48 -0.50 1.92 3.64 -1.68 -1.14 116.57 119.76 2wcl h LYS 89 Ca 0.11 -0.09 -0.12 0.00 -1.27 0.00 0.00 60.65 59.29 2wcl h LYS 89 Cb 0.40 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 2wcl h LYS 89 CO 0.01 0.48 -0.15 1.98 -2.27 0.00 0.00 179.45 179.50 2wcl h MET 90 N 0.37 0.97 -0.49 1.90 4.05 -0.32 -1.03 114.93 120.39 2wcl h MET 90 Ca 0.11 -0.37 -0.01 0.00 -0.28 0.00 0.00 59.70 59.14 2wcl h MET 90 Cb 0.18 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.90 2wcl h MET 90 CO -0.01 1.04 0.26 0.28 0.23 0.00 0.00 176.91 178.71 2wcl h VAL 91 N 0.86 1.18 -0.49 -5.77 2.07 -1.27 -1.67 116.25 111.16 2wcl h VAL 91 Ca 0.13 -0.47 0.05 0.00 0.82 0.00 0.00 66.70 67.23 2wcl h VAL 91 Cb 0.71 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 2wcl h VAL 91 CO 0.05 0.19 0.21 0.50 0.02 0.00 0.00 177.57 178.55 2wcl h LYS 92 N 0.64 0.41 -0.06 1.57 3.64 -0.96 0.33 116.57 122.14 2wcl h LYS 92 Ca 0.17 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2wcl h LYS 92 Cb 0.07 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2wcl h LYS 92 CO -0.03 0.27 0.02 -0.07 -2.27 0.00 0.00 179.45 177.38 2wcl h LEU 93 N 0.42 0.09 -0.53 5.20 3.38 -1.04 -0.29 115.31 122.54 2wcl h LEU 93 Ca 0.23 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2wcl h LEU 93 Cb 0.19 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2wcl h LEU 93 CO -0.19 0.27 0.33 0.40 0.09 0.00 0.00 178.44 179.33 2wcl h ILE 94 N -0.09 1.16 -0.27 1.22 2.04 -1.12 -1.18 117.51 119.27 2wcl h ILE 94 Ca 0.02 -0.35 0.06 0.00 1.00 0.00 0.00 64.86 65.60 2wcl h ILE 94 Cb 0.21 0.43 -0.08 0.00 -0.74 0.00 0.00 36.82 36.64 2wcl h ILE 94 CO -0.00 0.16 -0.29 -0.74 0.00 0.00 0.00 178.15 177.28 2wcl h HIS 95 N 0.72 -0.79 -0.92 1.37 2.76 -0.80 0.18 115.15 117.66 2wcl h HIS 95 Ca 0.19 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.40 2wcl h HIS 95 Cb -0.02 0.39 -0.04 0.00 1.55 0.00 0.00 27.41 29.28 2wcl h HIS 95 CO -0.03 -0.36 0.55 -0.97 -1.30 0.00 0.00 177.93 175.82 2wcl h ASN 96 N -0.29 1.10 -0.50 3.26 -1.24 -0.86 -1.42 115.58 115.64 2wcl h ASN 96 Ca 0.14 -0.07 -0.12 0.00 0.71 0.00 0.00 56.30 56.96 2wcl h ASN 96 Cb 0.51 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 39.27 2wcl h ASN 96 CO -0.43 0.85 -0.15 0.00 -1.29 0.00 0.00 177.43 176.41 2wcl h GLU 98 N 0.88 0.29 -0.41 0.00 5.08 -0.22 -1.62 114.58 118.58 2wcl h GLU 98 Ca 0.13 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.55 2wcl h GLU 98 Cb 0.72 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 2wcl h GLU 98 CO 0.05 0.19 0.28 0.87 -1.00 0.00 0.00 179.01 179.41 2wcl h LYS 99 N 0.30 0.19 0.00 2.33 1.57 -0.95 -2.18 116.57 117.82 2wcl h LYS 99 Ca 0.24 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.97 2wcl h LYS 99 Cb 0.29 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2wcl h LYS 99 CO -0.28 0.12 -0.22 1.96 -0.57 0.00 0.00 179.45 180.47 2wcl h GLN 100 N 0.19 0.00 -0.00 3.15 1.08 -1.13 -3.18 115.11 115.22 2wcl h GLN 100 Ca 0.19 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 2wcl h GLN 100 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 2wcl h GLN 100 CO -0.03 0.22 0.00 1.19 -0.95 0.00 0.00 178.83 179.25 2wcl n PHE 101 N -3.43 0.00 0.24 2.96 3.72 -0.87 -4.73 117.46 115.35 2wcl n PHE 101 Ca -0.00 -0.88 0.17 0.00 -0.05 0.00 0.00 57.45 56.69 2wcl n PHE 101 Cb 0.40 -0.13 0.88 0.00 -0.94 0.00 0.00 39.48 39.70 2wcl n PHE 101 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 2wcl h ASP 102 N 0.00 0.00 0.41 4.37 3.58 -1.42 -1.62 116.42 121.74 2wcl h ASP 102 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2wcl h ASP 102 Cb 0.88 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.93 2wcl h ASP 102 CO 0.00 0.00 -0.12 0.35 -2.88 0.00 0.00 179.24 176.59 2wcl n THR 103 N -3.68 0.00 -2.30 2.25 -2.24 -1.26 -4.78 114.28 102.27 2wcl n THR 103 Ca 0.00 -0.05 -0.43 0.00 -2.27 0.00 0.00 64.05 61.30 2wcl n THR 103 Cb 0.26 -0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.35 2wcl n THR 103 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2wcl s GLU 104 N -2.54 3.94 0.39 -0.78 2.56 -0.61 -4.91 118.70 116.75 2wcl s GLU 104 Ca 0.27 1.50 0.21 0.00 0.00 0.00 0.00 54.97 56.95 2wcl s GLU 104 Cb 0.20 -3.92 0.50 0.00 2.00 0.00 0.00 34.13 32.90 2wcl s GLU 104 CO 0.49 -1.10 1.64 1.79 -0.56 0.00 0.00 175.26 177.52 2wcl h THR 105 N 5.93 0.51 -3.59 -1.70 1.35 -1.89 -3.44 112.91 110.09 2wcl h THR 105 Ca -0.29 -1.47 -0.64 0.00 -0.55 0.00 0.00 66.41 63.45 2wcl h THR 105 Cb 1.12 2.05 -0.15 0.00 -1.73 0.00 0.00 68.15 69.44 2wcl h THR 105 CO 1.01 0.26 0.02 -0.62 -0.25 0.00 0.00 175.52 175.94 2wcl s ASP 106 N -6.27 6.34 0.24 5.36 3.68 -1.26 -4.95 116.67 119.81 2wcl s ASP 106 Ca 0.03 -0.05 -0.07 0.00 2.13 0.00 0.00 52.55 54.59 2wcl s ASP 106 Cb 0.08 -2.29 0.25 0.00 -1.45 0.00 0.00 42.92 39.51 2wcl s ASP 106 CO 0.68 -0.55 1.90 0.44 0.13 0.00 0.00 175.17 177.76 2wcl h ASP 107 N 8.52 1.00 -0.52 -0.34 3.32 -1.99 0.73 116.42 127.15 2wcl h ASP 107 Ca -0.27 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.73 2wcl h ASP 107 Cb 1.12 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.40 2wcl h ASP 107 CO 0.81 0.71 0.22 0.00 -1.72 0.00 0.00 179.24 179.26 2wcl h THR 109 N 0.70 1.27 -0.09 0.00 2.02 -1.71 -1.98 112.91 113.12 2wcl h THR 109 Ca 0.18 -1.45 0.02 0.00 0.77 0.00 0.00 66.41 65.92 2wcl h THR 109 Cb 0.18 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 2wcl h THR 109 CO -0.02 0.49 -0.03 -0.09 0.37 0.00 0.00 175.52 176.25 2wcl h ARG 110 N 0.79 -0.01 -0.63 6.66 2.43 -0.73 -1.87 114.38 121.02 2wcl h ARG 110 Ca 0.09 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 2wcl h ARG 110 Cb 0.86 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.39 2wcl h ARG 110 CO 0.08 -0.01 0.25 0.28 -1.51 0.00 0.00 179.97 179.06 2wcl h VAL 111 N -0.01 1.22 -0.09 0.20 2.07 -1.14 0.19 116.25 118.69 2wcl h VAL 111 Ca 0.05 -0.69 -0.16 0.00 0.82 0.00 0.00 66.70 66.72 2wcl h VAL 111 Cb 0.08 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2wcl h VAL 111 CO -0.10 0.28 -0.62 1.62 0.02 0.00 0.00 177.57 178.77 2wcl h VAL 112 N 0.91 1.37 -0.82 2.57 3.04 -1.21 0.07 116.25 122.18 2wcl h VAL 112 Ca 0.22 -1.97 -0.02 0.00 -1.01 0.00 0.00 66.70 63.91 2wcl h VAL 112 Cb 0.17 1.98 -0.04 0.00 -2.01 0.00 0.00 31.29 31.39 2wcl h VAL 112 CO -0.02 0.59 0.42 0.11 -1.01 0.00 0.00 177.57 177.66 2wcl h LYS 113 N 0.24 1.15 -0.44 4.17 1.57 -0.85 -1.14 116.57 121.28 2wcl h LYS 113 Ca -0.01 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.56 2wcl h LYS 113 Cb 1.14 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 2wcl h LYS 113 CO 0.10 0.86 0.04 0.28 -0.57 0.00 0.00 179.45 180.17 2wcl h VAL 114 N 1.15 1.25 -0.84 0.50 2.07 -0.66 -1.59 116.25 118.13 2wcl h VAL 114 Ca 0.28 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 2wcl h VAL 114 Cb 0.07 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 2wcl h VAL 114 CO -0.04 0.33 0.51 0.00 0.02 0.00 0.00 177.57 178.39 2wcl h ALA 115 N 0.93 1.07 -0.41 1.67 0.00 -0.72 0.32 119.26 122.12 2wcl h ALA 115 Ca 0.13 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2wcl h ALA 115 Cb 0.43 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2wcl h ALA 115 CO 0.01 0.53 -0.20 0.00 0.00 0.00 0.00 179.25 179.60 2wcl h ALA 116 N 1.27 0.89 -0.60 0.00 0.00 -1.00 -0.55 119.26 119.28 2wcl h ALA 116 Ca 0.30 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2wcl h ALA 116 Cb -0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2wcl h ALA 116 CO -0.06 0.63 0.24 0.00 0.00 0.00 0.00 179.25 180.07 2wcl h PHE 118 N 0.83 0.95 -0.40 0.00 3.57 -0.69 0.42 116.94 121.62 2wcl h PHE 118 Ca 0.20 -0.19 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 2wcl h PHE 118 Cb 0.19 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 2wcl h PHE 118 CO 0.01 0.94 0.23 -0.22 -2.23 0.00 0.00 178.31 177.03 2wcl h LYS 119 N 0.69 0.55 0.03 1.11 3.64 -0.94 0.68 116.57 122.33 2wcl h LYS 119 Ca 0.12 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 2wcl h LYS 119 Cb 0.61 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 2wcl h LYS 119 CO 0.04 0.43 -0.14 1.49 -2.27 0.00 0.00 179.45 178.99 2wcl h GLU 120 N 0.52 -0.24 0.00 1.90 4.81 -1.04 -1.22 114.58 119.31 2wcl h GLU 120 Ca 0.14 0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.28 2wcl h GLU 120 Cb 0.03 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2wcl h GLU 120 CO -0.02 -0.16 -0.49 -0.44 -0.73 0.00 0.00 179.01 177.16 2wcl h ASP 121 N -0.25 0.00 -0.50 1.04 3.32 -0.83 -0.59 116.42 118.61 2wcl h ASP 121 Ca 0.04 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 2wcl h ASP 121 Cb 0.30 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 2wcl h ASP 121 CO -0.12 0.49 0.06 0.28 -1.72 0.00 0.00 179.24 178.23 2wcl h SER 122 N 0.00 0.81 -0.15 6.45 0.02 -0.65 0.22 113.55 120.25 2wcl h SER 122 Ca -0.00 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.66 2wcl h SER 122 Cb 0.92 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 2wcl h SER 122 CO 0.06 0.88 0.07 0.03 -1.14 0.00 0.00 176.83 176.74 2wcl h ARG 123 N 0.71 0.22 -0.89 3.45 3.08 -0.85 -0.34 114.38 119.75 2wcl h ARG 123 Ca 0.15 -0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.28 2wcl h ARG 123 Cb 0.43 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.38 2wcl h ARG 123 CO 0.01 0.27 0.57 0.87 -1.07 0.00 0.00 179.97 180.63 2wcl h LYS 124 N 0.12 0.78 -0.14 0.04 1.57 -0.96 -2.12 116.57 115.86 2wcl h LYS 124 Ca 0.05 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2wcl h LYS 124 Cb 0.12 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.26 2wcl h LYS 124 CO -0.01 0.52 0.00 0.39 -0.57 0.00 0.00 179.45 179.78 2wcl n GLU 125 N -4.55 1.87 -2.20 3.15 -0.58 0.05 -4.93 120.64 113.45 2wcl n GLU 125 Ca 0.16 -1.30 -0.08 0.00 -0.42 0.00 0.00 57.16 55.52 2wcl n GLU 125 Cb 0.38 -1.44 -0.00 0.00 -0.57 0.00 0.00 31.44 29.80 2wcl n GLU 125 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wcl n GLY 126 N 1.22 0.04 0.04 0.62 0.00 -0.69 -4.92 105.19 101.50 2wcl n GLY 126 Ca 0.17 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.67 2wcl n GLY 126 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2wcl n ILE 127 N -3.98 0.87 -2.79 -0.61 -5.35 -0.22 -4.60 119.36 102.67 2wcl n ILE 127 Ca -0.09 -0.93 -0.42 0.00 -0.27 0.00 0.00 62.75 61.03 2wcl n ILE 127 Cb 0.57 0.57 -0.03 0.00 -1.74 0.00 0.00 39.64 39.01 2wcl n ILE 127 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wcl s ALA 128 N -0.88 3.40 0.55 -1.28 0.00 -1.08 -4.06 121.76 118.41 2wcl s ALA 128 Ca 0.01 0.26 -0.08 0.00 0.00 0.00 0.00 51.96 52.16 2wcl s ALA 128 Cb 0.01 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 2wcl s ALA 128 CO 0.01 -0.52 0.90 -1.25 0.00 0.00 0.00 175.76 174.90 2wcl s PRO 129 N 1.80 3.50 0.55 0.00 0.04 -1.26 -4.90 135.00 134.74 2wcl s PRO 129 Ca 0.44 0.41 -0.15 0.00 0.04 0.00 0.00 61.00 61.74 2wcl s PRO 129 Cb -0.18 -2.24 -0.06 0.00 0.04 0.00 0.00 34.50 32.06 2wcl s PRO 129 CO 0.17 -0.41 1.01 -1.21 0.04 0.00 0.00 177.00 176.60 2wcl s GLU 130 N -4.95 3.77 0.26 4.56 0.41 -1.26 -4.90 118.70 116.59 2wcl s GLU 130 Ca 0.51 0.92 -0.04 0.00 -0.41 0.00 0.00 54.97 55.95 2wcl s GLU 130 Cb -0.11 -2.11 0.36 0.00 -1.78 0.00 0.00 34.13 30.50 2wcl s GLU 130 CO 0.49 -0.42 1.88 0.28 -0.49 0.00 0.00 175.26 177.00 2wcl h VAL 131 N 0.50 1.11 -0.81 2.63 2.07 -1.86 -0.82 116.25 119.07 2wcl h VAL 131 Ca -0.46 -0.40 0.16 0.00 0.82 0.00 0.00 66.70 66.82 2wcl h VAL 131 Cb 1.19 -0.15 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 2wcl h VAL 131 CO 0.61 0.21 0.54 0.00 0.02 0.00 0.00 177.57 178.95 2wcl h ALA 132 N 1.43 2.07 -0.18 1.67 0.00 -1.96 -0.58 119.26 121.71 2wcl h ALA 132 Ca 0.41 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.13 2wcl h ALA 132 Cb 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2wcl h ALA 132 CO -0.16 -0.30 -0.67 0.52 0.00 0.00 0.00 179.25 178.65 2wcl h MET 133 N 0.47 0.69 -0.41 0.00 2.86 -1.53 -1.23 114.93 115.79 2wcl h MET 133 Ca 0.41 -0.51 -0.14 0.00 -2.06 0.00 0.00 59.70 57.40 2wcl h MET 133 Cb 0.89 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 2wcl h MET 133 CO -0.15 1.13 -0.31 0.28 1.06 0.00 0.00 176.91 178.92 2wcl h VAL 134 N 0.50 1.27 -0.89 -2.22 2.07 -1.18 -2.74 116.25 113.06 2wcl h VAL 134 Ca -0.02 -1.47 0.01 0.00 0.82 0.00 0.00 66.70 66.03 2wcl h VAL 134 Cb 1.27 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 32.28 2wcl h VAL 134 CO 0.13 0.50 0.57 -0.33 0.02 0.00 0.00 177.57 178.46 2wcl h GLU 135 N 0.76 1.18 0.00 1.57 5.08 -0.89 -2.12 114.58 120.15 2wcl h GLU 135 Ca 0.08 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2wcl h GLU 135 Cb 0.88 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 2wcl h GLU 135 CO 0.08 0.79 -0.16 0.00 -1.00 0.00 0.00 179.01 178.72 2wcl h ALA 136 N 1.43 1.15 -0.26 3.43 0.00 -0.92 -2.20 119.26 121.89 2wcl h ALA 136 Ca 0.32 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2wcl h ALA 136 Cb -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2wcl h ALA 136 CO -0.07 0.20 0.00 0.28 0.00 0.00 0.00 179.25 179.66 2wcl n VAL 137 N -3.50 0.40 0.23 0.00 0.31 -0.84 -4.72 118.33 110.21 2wcl n VAL 137 Ca -0.01 -0.70 0.06 0.00 -0.01 0.00 0.00 64.34 63.68 2wcl n VAL 137 Cb 0.32 1.04 0.52 0.00 -0.91 0.00 0.00 33.84 34.81 2wcl n VAL 137 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2wcl h ILE 138 N 3.72 1.11 0.00 2.52 2.04 -0.94 -2.83 117.51 123.13 2wcl h ILE 138 Ca 0.00 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.34 2wcl h ILE 138 Cb 0.85 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 2wcl h ILE 138 CO 0.00 0.15 0.00 -1.84 0.00 0.00 0.00 178.15 176.46 2wcl n GLU 139 N -4.36 0.32 -2.51 2.37 0.00 -1.26 -4.91 120.64 110.29 2wcl n GLU 139 Ca -0.02 0.04 -0.38 0.00 0.00 0.00 0.00 57.16 56.80 2wcl n GLU 139 Cb 0.22 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.12 2wcl n GLU 139 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2wcl s LYS 140 N -2.64 4.28 0.00 3.44 1.02 -1.07 -5.23 119.74 119.55 2wcl s LYS 140 Ca 0.23 1.61 0.00 0.00 0.02 0.00 0.00 55.97 57.83 2wcl s LYS 140 Cb 0.18 -2.72 0.00 0.00 -0.52 0.00 0.00 37.83 34.77 2wcl s LYS 140 CO 0.41 -0.06 0.00 0.66 -0.92 0.00 0.00 175.35 175.44