#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wcm h ALA 2 N 0.00 1.12 -0.42 6.98 0.00 -1.72 -1.87 119.26 123.36 2wcm h ALA 2 Ca 0.00 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.68 2wcm h ALA 2 Cb 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2wcm h ALA 2 CO 0.00 0.56 0.22 1.49 0.00 0.00 0.00 179.25 181.52 2wcm h GLU 3 N 0.71 0.43 -0.68 0.00 4.81 -1.93 -1.79 114.58 116.14 2wcm h GLU 3 Ca 0.14 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 2wcm h GLU 3 Cb 0.45 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 2wcm h GLU 3 CO 0.02 0.29 0.45 0.28 -0.73 0.00 0.00 179.01 179.31 2wcm h VAL 4 N 0.45 1.18 -0.63 0.32 2.07 -1.84 -2.55 116.25 115.25 2wcm h VAL 4 Ca 0.18 -0.33 0.07 0.00 0.82 0.00 0.00 66.70 67.44 2wcm h VAL 4 Cb 0.06 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 29.97 2wcm h VAL 4 CO -0.11 0.17 0.42 -0.03 0.02 0.00 0.00 177.57 178.04 2wcm h MET 5 N 0.92 0.55 -0.99 1.57 1.85 -1.22 -1.55 114.93 116.07 2wcm h MET 5 Ca 0.25 -0.03 0.04 0.00 -0.61 0.00 0.00 59.70 59.35 2wcm h MET 5 Cb -0.10 -0.12 -0.06 0.00 0.43 0.00 0.00 31.60 31.75 2wcm h MET 5 CO -0.05 0.36 0.64 0.77 -0.40 0.00 0.00 176.91 178.23 2wcm h SER 6 N 0.57 1.06 -0.25 1.39 0.02 -0.89 -0.79 113.55 114.67 2wcm h SER 6 Ca 0.28 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.12 2wcm h SER 6 Cb 0.36 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 2wcm h SER 6 CO -0.08 0.72 -0.25 0.45 -1.14 0.00 0.00 176.83 176.52 2wcm h HIS 7 N 1.23 0.72 -0.01 3.45 3.86 -1.25 -1.35 115.15 121.80 2wcm h HIS 7 Ca 0.40 -0.22 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2wcm h HIS 7 Cb 0.04 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 28.35 2wcm h HIS 7 CO -0.00 0.93 0.00 0.28 0.86 0.00 0.00 177.93 180.00 2wcm h VAL 8 N 0.31 1.02 -0.70 2.45 2.07 -1.20 -2.11 116.25 118.08 2wcm h VAL 8 Ca 0.04 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 2wcm h VAL 8 Cb 0.81 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 2wcm h VAL 8 CO 0.06 0.01 0.40 0.74 0.02 0.00 0.00 177.57 178.81 2wcm h THR 9 N -0.01 1.21 -0.67 2.57 2.02 -1.14 -0.40 112.91 116.49 2wcm h THR 9 Ca 0.00 -0.50 -0.07 0.00 0.77 0.00 0.00 66.41 66.61 2wcm h THR 9 Cb 0.02 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 2wcm h THR 9 CO -0.00 0.23 0.14 0.00 0.37 0.00 0.00 175.52 176.25 2wcm h ALA 10 N 1.20 0.98 -0.01 6.16 0.00 -1.03 -2.03 119.26 124.54 2wcm h ALA 10 Ca 0.25 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wcm h ALA 10 Cb 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2wcm h ALA 10 CO -0.04 0.65 -0.01 1.25 0.00 0.00 0.00 179.25 181.10 2wcm h HIS 11 N 1.02 0.02 -0.85 0.00 6.17 -1.17 -3.32 115.15 117.03 2wcm h HIS 11 Ca 0.21 -0.01 0.18 0.00 0.71 0.00 0.00 60.37 61.46 2wcm h HIS 11 Cb 0.39 -0.00 -0.06 0.00 2.52 0.00 0.00 27.41 30.26 2wcm h HIS 11 CO 0.03 0.59 0.56 0.35 0.71 0.00 0.00 177.93 180.17 2wcm h PHE 12 N -0.55 0.57 0.00 5.26 3.57 -1.01 -2.11 116.94 122.68 2wcm h PHE 12 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2wcm h PHE 12 Cb 0.59 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.15 2wcm h PHE 12 CO 0.13 0.18 0.00 0.41 -2.23 0.00 0.00 178.31 176.80 2wcm n GLY 13 N -1.50 -1.50 0.30 2.40 0.00 -0.77 -3.20 105.19 100.92 2wcm n GLY 13 Ca 0.17 -0.10 0.16 0.00 0.00 0.00 0.00 46.02 46.26 2wcm n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wcm h LYS 14 N 0.00 0.00 -0.16 1.61 1.57 -1.50 -2.09 116.57 115.99 2wcm h LYS 14 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wcm h LYS 14 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2wcm h LYS 14 CO 0.00 0.03 0.00 0.25 -0.57 0.00 0.00 179.45 179.16 2wcm n THR 15 N -3.55 0.20 0.13 -0.16 -2.24 -1.19 -4.32 114.28 103.16 2wcm n THR 15 Ca -0.02 -0.36 -0.13 0.00 -2.27 0.00 0.00 64.05 61.27 2wcm n THR 15 Cb 0.14 0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 68.72 2wcm n THR 15 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2wcm h LEU 16 N 2.34 -0.52 -0.61 3.22 5.85 -1.61 -2.81 115.31 121.17 2wcm h LEU 16 Ca 0.00 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.78 2wcm h LEU 16 Cb 0.51 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 2wcm h LEU 16 CO 0.00 -0.29 0.40 -0.33 -0.34 0.00 0.00 178.44 177.88 2wcm h GLU 17 N -0.41 0.79 0.00 1.25 4.39 -1.82 -1.56 114.58 117.23 2wcm h GLU 17 Ca 0.01 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2wcm h GLU 17 Cb 0.39 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2wcm h GLU 17 CO -0.06 0.52 0.00 1.05 -1.16 0.00 0.00 179.01 179.36 2wcm h GLU 18 N 0.81 0.00 0.00 2.33 4.11 -1.83 -2.24 114.58 117.76 2wcm h GLU 18 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.65 2wcm h GLU 18 Cb -0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2wcm h GLU 18 CO -0.05 0.00 -0.99 0.00 0.07 0.00 0.00 179.01 178.04 2wcm h ARG 20 N 0.00 0.30 -0.01 0.00 2.43 -0.68 -3.08 114.38 113.34 2wcm h ARG 20 Ca 0.00 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2wcm h ARG 20 Cb 0.49 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.98 2wcm h ARG 20 CO 0.00 0.29 0.00 1.49 -1.51 0.00 0.00 179.97 180.24 2wcm h GLU 21 N 0.24 0.01 0.00 0.20 4.81 -1.84 -2.14 114.58 115.86 2wcm h GLU 21 Ca 0.08 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2wcm h GLU 21 Cb 0.08 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 2wcm h GLU 21 CO -0.01 0.06 -0.02 1.05 -0.73 0.00 0.00 179.01 179.36 2wcm h GLU 22 N -0.04 0.00 0.00 1.92 4.11 -1.89 -2.50 114.58 116.18 2wcm h GLU 22 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2wcm h GLU 22 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2wcm h GLU 22 CO -0.00 0.02 -1.21 -1.13 0.07 0.00 0.00 179.01 176.76 2wcm n SER 23 N -3.67 0.57 -0.27 3.06 3.41 -1.14 -4.96 113.62 110.62 2wcm n SER 23 Ca -0.03 -0.30 -0.03 0.00 -0.26 0.00 0.00 58.87 58.25 2wcm n SER 23 Cb 0.11 1.06 -0.01 0.00 -0.26 0.00 0.00 64.21 65.11 2wcm n SER 23 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wcm n GLY 24 N 1.37 0.54 3.52 5.00 0.00 -0.82 -4.55 105.19 110.24 2wcm n GLY 24 Ca 0.01 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 2wcm n GLY 24 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wcm s LEU 25 N -0.78 4.31 0.56 0.99 2.96 -1.10 -4.91 118.68 120.71 2wcm s LEU 25 Ca 0.00 -0.35 -0.19 0.00 -0.22 0.00 0.00 54.13 53.38 2wcm s LEU 25 Cb 0.00 -2.82 -0.05 0.00 0.50 0.00 0.00 46.19 43.82 2wcm s LEU 25 CO 0.00 -1.04 1.13 -0.44 -1.32 0.00 0.00 176.35 174.68 2wcm s SER 26 N 2.52 5.61 0.58 3.68 0.01 -1.26 -4.84 113.70 120.00 2wcm s SER 26 Ca 0.28 2.17 0.35 0.00 1.31 0.00 0.00 55.95 60.06 2wcm s SER 26 Cb -0.13 -2.58 1.74 0.00 0.21 0.00 0.00 66.02 65.26 2wcm s SER 26 CO 0.19 -1.29 2.14 -0.37 0.41 0.00 0.00 173.24 174.32 2wcm h VAL 27 N 1.05 0.21 -0.24 3.43 -1.51 -1.96 -1.21 116.25 116.01 2wcm h VAL 27 Ca -0.50 -0.36 -0.08 0.00 -1.23 0.00 0.00 66.70 64.53 2wcm h VAL 27 Cb 1.26 1.29 -0.01 0.00 -2.13 0.00 0.00 31.29 31.70 2wcm h VAL 27 CO 0.56 0.04 -0.22 0.44 -1.23 0.00 0.00 177.57 177.17 2wcm h ASP 28 N 0.00 0.42 0.09 4.19 3.32 -2.00 -3.15 116.42 119.29 2wcm h ASP 28 Ca -0.00 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 2wcm h ASP 28 Cb 0.29 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2wcm h ASP 28 CO 0.01 0.65 -0.04 0.40 -1.72 0.00 0.00 179.24 178.54 2wcm h ILE 29 N 0.39 1.10 -2.60 0.35 2.04 -1.60 -3.46 117.51 113.73 2wcm h ILE 29 Ca 0.06 -1.39 -0.12 0.00 1.00 0.00 0.00 64.86 64.41 2wcm h ILE 29 Cb 0.60 1.91 -0.28 0.00 -0.74 0.00 0.00 36.82 38.30 2wcm h ILE 29 CO 0.04 0.31 -0.39 -0.22 0.00 0.00 0.00 178.15 177.89 2wcm s LEU 30 N -8.83 -0.49 -0.16 1.44 2.96 -0.96 -5.06 118.68 107.58 2wcm s LEU 30 Ca -0.14 0.90 0.05 0.00 -0.22 0.00 0.00 54.13 54.72 2wcm s LEU 30 Cb -0.00 1.22 -0.23 0.00 0.50 0.00 0.00 46.19 47.68 2wcm s LEU 30 CO 0.53 -0.23 0.20 -0.90 -1.32 0.00 0.00 176.35 174.63 2wcm n ASP 31 N 5.22 1.34 -3.89 3.68 5.75 -1.19 -4.37 116.55 123.09 2wcm n ASP 31 Ca -0.10 0.11 -0.16 0.00 -0.01 0.00 0.00 54.79 54.63 2wcm n ASP 31 Cb 0.50 -0.15 -0.15 0.00 -1.03 0.00 0.00 41.12 40.29 2wcm n ASP 31 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2wcm s GLU 32 N -2.54 0.32 0.42 0.11 0.41 -1.26 -5.03 118.70 111.13 2wcm s GLU 32 Ca -0.19 -0.06 0.08 0.00 -0.41 0.00 0.00 54.97 54.39 2wcm s GLU 32 Cb 0.07 -0.37 0.90 0.00 -1.78 0.00 0.00 34.13 32.95 2wcm s GLU 32 CO 0.75 -0.00 2.05 0.35 -0.49 0.00 0.00 175.26 177.91 2wcm h PHE 33 N 6.51 0.50 -0.77 1.61 3.57 -1.91 -0.90 116.94 125.55 2wcm h PHE 33 Ca -0.33 0.01 0.22 0.00 3.53 0.00 0.00 57.97 61.41 2wcm h PHE 33 Cb 1.17 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 2wcm h PHE 33 CO 0.45 0.30 0.63 1.57 -2.23 0.00 0.00 178.31 179.03 2wcm h LYS 34 N 0.52 0.00 0.00 1.11 2.10 -1.94 0.18 116.57 118.54 2wcm h LYS 34 Ca 0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 2wcm h LYS 34 Cb 0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 2wcm h LYS 34 CO -0.04 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.13 2wcm n HIS 35 N -4.02 0.07 -0.36 0.07 8.25 -0.34 -2.34 115.22 116.56 2wcm n HIS 35 Ca 0.16 0.03 0.26 0.00 -0.26 0.00 0.00 57.72 57.91 2wcm n HIS 35 Cb 0.91 -0.54 0.52 0.00 1.12 0.00 0.00 29.99 32.00 2wcm n HIS 35 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 2wcm h PHE 36 N 0.00 0.79 -0.00 4.41 3.57 -0.83 -1.17 116.94 123.70 2wcm h PHE 36 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2wcm h PHE 36 Cb 0.31 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.84 2wcm h PHE 36 CO 0.00 -0.13 -0.16 0.91 -2.23 0.00 0.00 178.31 176.70 2wcm n TRP 37 N -4.88 0.00 -1.72 0.41 7.02 -0.99 -4.86 117.44 112.41 2wcm n TRP 37 Ca 0.32 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.37 2wcm n TRP 37 Cb 1.06 -0.25 -0.02 0.00 -2.42 0.00 0.00 31.31 29.68 2wcm n TRP 37 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2wcm n SER 38 N -1.13 3.64 0.07 -0.99 7.64 -0.44 -4.78 113.62 117.63 2wcm n SER 38 Ca 0.12 1.12 0.21 0.00 1.01 0.00 0.00 58.87 61.33 2wcm n SER 38 Cb 0.30 -1.55 0.73 0.00 -1.01 0.00 0.00 64.21 62.68 2wcm n SER 38 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2wcm h ASP 39 N 5.17 0.00 0.89 6.43 3.45 -1.91 -1.06 116.42 129.38 2wcm h ASP 39 Ca -0.46 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.00 2wcm h ASP 39 Cb 1.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 2wcm h ASP 39 CO 0.83 0.00 -0.65 0.44 -1.57 0.00 0.00 179.24 178.29 2wcm h ASP 40 N 0.00 0.00 -3.85 6.45 3.32 -1.94 -3.46 116.42 116.95 2wcm h ASP 40 Ca 0.22 -0.20 -0.65 0.00 0.02 0.00 0.00 57.03 56.42 2wcm h ASP 40 Cb 1.17 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.54 2wcm h ASP 40 CO -0.00 0.10 -0.50 0.12 -1.72 0.00 0.00 179.24 177.24 2wcm s PHE 41 N -3.18 3.22 -0.32 4.55 5.36 -0.40 -5.04 117.98 122.17 2wcm s PHE 41 Ca 0.06 0.05 -0.19 0.00 -0.96 0.00 0.00 56.93 55.89 2wcm s PHE 41 Cb 0.13 -2.41 -0.01 0.00 -0.34 0.00 0.00 43.02 40.39 2wcm s PHE 41 CO 0.73 -0.21 0.59 -0.51 -1.46 0.00 0.00 175.22 174.35 2wcm s ASP 42 N 1.75 6.43 -0.78 6.13 1.01 -1.26 -4.84 116.67 125.12 2wcm s ASP 42 Ca 0.07 0.29 -0.21 0.00 0.71 0.00 0.00 52.55 53.41 2wcm s ASP 42 Cb -0.16 -2.31 0.09 0.00 1.01 0.00 0.00 42.92 41.55 2wcm s ASP 42 CO 0.11 -0.47 1.04 -0.69 0.21 0.00 0.00 175.17 175.36 2wcm s VAL 43 N 2.53 4.48 0.00 -1.27 1.01 -1.26 -4.64 120.40 121.26 2wcm s VAL 43 Ca 0.23 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.33 2wcm s VAL 43 Cb -0.15 -4.73 0.00 0.00 0.00 0.00 0.00 36.38 31.50 2wcm s VAL 43 CO 0.12 -1.48 0.00 1.33 0.00 0.00 0.00 175.10 175.07 2wcm n VAL 44 N 5.78 0.00 -2.58 2.92 0.24 -1.26 -4.56 118.33 118.87 2wcm n VAL 44 Ca 0.08 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.96 2wcm n VAL 44 Cb 0.47 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.81 2wcm n VAL 44 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2wcm s HIS 45 N -0.19 3.52 0.30 6.34 3.76 -1.26 -4.92 115.29 122.83 2wcm s HIS 45 Ca 0.00 1.50 0.05 0.00 -0.15 0.00 0.00 55.06 56.46 2wcm s HIS 45 Cb 0.00 -3.26 0.79 0.00 1.11 0.00 0.00 32.58 31.22 2wcm s HIS 45 CO 0.00 -0.60 1.65 -0.09 -0.85 0.00 0.00 174.74 174.85 2wcm h ARG 46 N 6.90 0.23 -0.00 1.40 2.43 -1.94 -0.35 114.38 123.05 2wcm h ARG 46 Ca -0.40 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 58.70 2wcm h ARG 46 Cb 1.20 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 2wcm h ARG 46 CO 0.79 0.15 -0.31 0.93 -1.51 0.00 0.00 179.97 180.03 2wcm h GLU 47 N 0.24 0.00 -0.16 0.20 3.07 -1.91 -0.73 114.58 115.30 2wcm h GLU 47 Ca 0.59 -0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 59.33 2wcm h GLU 47 Cb 1.23 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.13 2wcm h GLU 47 CO -0.64 0.31 -0.42 1.25 -1.40 0.00 0.00 179.01 178.11 2wcm h LEU 48 N 0.00 0.39 -0.16 1.33 5.85 -1.37 -0.85 115.31 120.51 2wcm h LEU 48 Ca -0.00 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2wcm h LEU 48 Cb 0.55 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2wcm h LEU 48 CO 0.04 0.77 0.07 1.23 -0.34 0.00 0.00 178.44 180.21 2wcm h GLY 49 N 1.17 0.25 0.86 3.75 0.00 -0.89 -0.62 103.07 107.58 2wcm h GLY 49 Ca 0.03 -0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.26 2wcm h GLY 49 CO 0.07 0.12 0.62 0.00 0.00 0.00 0.00 176.54 177.36 2wcm h ALA 51 N 1.40 0.69 -0.84 0.00 0.00 -0.82 -2.12 119.26 117.57 2wcm h ALA 51 Ca 0.38 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 55.09 2wcm h ALA 51 Cb 0.02 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 2wcm h ALA 51 CO -0.13 0.48 0.55 0.82 0.00 0.00 0.00 179.25 180.97 2wcm h ILE 52 N 0.76 1.04 -0.06 0.00 2.04 -0.59 -0.51 117.51 120.18 2wcm h ILE 52 Ca 0.15 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 2wcm h ILE 52 Cb 0.49 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 2wcm h ILE 52 CO 0.02 0.17 0.01 0.40 0.00 0.00 0.00 178.15 178.75 2wcm h ILE 53 N 0.91 1.22 -0.45 -0.67 2.04 -1.14 -0.86 117.51 118.57 2wcm h ILE 53 Ca 0.36 -0.67 0.07 0.00 1.00 0.00 0.00 64.86 65.62 2wcm h ILE 53 Cb 0.25 1.55 -0.06 0.00 -0.74 0.00 0.00 36.82 37.82 2wcm h ILE 53 CO -0.13 0.19 0.08 0.00 0.00 0.00 0.00 178.15 178.29 2wcm h MET 55 N 0.22 0.62 -0.48 0.00 2.86 -0.99 -2.90 114.93 114.26 2wcm h MET 55 Ca 0.22 -0.32 -0.11 0.00 -2.06 0.00 0.00 59.70 57.43 2wcm h MET 55 Cb 0.28 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 2wcm h MET 55 CO -0.29 0.91 -0.15 0.77 1.06 0.00 0.00 176.91 179.21 2wcm h SER 56 N 0.51 0.93 0.31 1.22 0.02 -0.72 -3.11 113.55 112.70 2wcm h SER 56 Ca 0.04 -0.32 -0.04 0.00 -0.84 0.00 0.00 61.79 60.64 2wcm h SER 56 Cb 0.91 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 2wcm h SER 56 CO 0.08 1.07 -0.20 0.78 -1.14 0.00 0.00 176.83 177.42 2wcm h ASN 57 N 0.81 0.00 -0.35 3.07 2.35 -0.74 -0.66 115.58 120.06 2wcm h ASN 57 Ca 0.12 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.92 2wcm h ASN 57 Cb 0.70 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.05 2wcm h ASN 57 CO 0.05 0.20 0.24 0.11 -1.65 0.00 0.00 177.43 176.39 2wcm h LYS 58 N 0.00 0.25 -0.10 0.81 1.79 -1.45 -2.33 116.57 115.54 2wcm h LYS 58 Ca -0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2wcm h LYS 58 Cb 0.42 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 2wcm h LYS 58 CO 0.03 0.17 0.00 1.19 -1.08 0.00 0.00 179.45 179.75 2wcm n PHE 59 N -4.48 0.26 -1.67 -1.35 3.72 -0.36 -4.99 117.46 108.59 2wcm n PHE 59 Ca 0.04 -0.76 -0.13 0.00 -0.05 0.00 0.00 57.45 56.55 2wcm n PHE 59 Cb 0.23 -0.14 -0.04 0.00 -0.94 0.00 0.00 39.48 38.60 2wcm n PHE 59 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2wcm n SER 60 N -0.70 -4.33 -0.01 4.37 7.64 -0.57 -4.88 113.62 115.14 2wcm n SER 60 Ca 0.12 0.20 0.14 0.00 1.01 0.00 0.00 58.87 60.34 2wcm n SER 60 Cb 0.55 -3.14 0.59 0.00 -1.01 0.00 0.00 64.21 61.20 2wcm n SER 60 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2wcm n LEU 61 N -1.56 0.10 -4.87 -3.43 4.77 -0.68 -4.74 117.00 106.59 2wcm n LEU 61 Ca -0.13 0.37 -0.33 0.00 -0.03 0.00 0.00 56.01 55.88 2wcm n LEU 61 Cb 0.48 -0.42 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 2wcm n LEU 61 CO 0.19 0.02 -0.18 -0.04 -1.33 0.00 0.00 177.39 176.05 2wcm s MET 62 N -2.91 3.35 0.19 3.23 -1.94 -1.26 -0.58 119.30 119.37 2wcm s MET 62 Ca 0.16 -0.35 -0.02 0.00 -1.71 0.00 0.00 55.69 53.77 2wcm s MET 62 Cb 0.19 -3.04 0.04 0.00 2.01 0.00 0.00 34.83 34.03 2wcm s MET 62 CO 0.54 0.68 0.26 -0.40 -0.01 0.00 0.00 175.02 176.08 2wcm n ASP 63 N 1.08 0.12 0.25 3.03 5.68 0.75 -4.65 116.55 122.81 2wcm n ASP 63 Ca -0.12 -1.15 0.10 0.00 -0.50 0.00 0.00 54.79 53.12 2wcm n ASP 63 Cb 0.53 -0.19 0.67 0.00 -1.14 0.00 0.00 41.12 40.99 2wcm n ASP 63 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2wcm h ASP 64 N -0.28 0.00 -0.61 -1.12 3.32 -1.97 -2.09 116.42 113.66 2wcm h ASP 64 Ca -0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 2wcm h ASP 64 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2wcm h ASP 64 CO 0.07 0.12 0.00 -0.67 -1.72 0.00 0.00 179.24 177.04 2wcm n ASP 65 N -3.96 4.62 -3.09 6.45 2.03 -1.26 -4.95 116.55 116.38 2wcm n ASP 65 Ca -0.02 -2.45 -0.20 0.00 0.52 0.00 0.00 54.79 52.64 2wcm n ASP 65 Cb 0.21 -0.56 0.07 0.00 -0.72 0.00 0.00 41.12 40.12 2wcm n ASP 65 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2wcm n VAL 66 N 1.01 -2.50 -4.38 5.18 0.31 -0.79 -5.04 118.33 112.12 2wcm n VAL 66 Ca 0.25 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.33 2wcm n VAL 66 Cb 0.86 -3.58 -0.09 0.00 -0.91 0.00 0.00 33.84 30.12 2wcm n VAL 66 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2wcm s ARG 67 N -6.10 2.03 0.43 5.55 3.00 -1.26 -4.92 118.95 117.69 2wcm s ARG 67 Ca 0.49 -1.81 -0.26 0.00 0.00 0.00 0.00 55.73 54.16 2wcm s ARG 67 Cb -0.22 -1.88 -0.09 0.00 0.00 0.00 0.00 34.95 32.77 2wcm s ARG 67 CO 0.61 0.11 1.40 -0.12 0.00 0.00 0.00 175.30 177.30 2wcm n MET 68 N -0.94 2.23 -3.04 3.54 0.00 -1.26 -0.18 117.12 117.47 2wcm n MET 68 Ca -0.04 0.79 -0.44 0.00 -0.00 0.00 0.00 57.70 58.01 2wcm n MET 68 Cb 0.63 -2.57 -0.05 0.00 0.00 0.00 0.00 33.22 31.23 2wcm n MET 68 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 2wcm s HIS 69 N -1.18 2.92 0.19 1.12 2.46 0.26 -4.50 115.29 116.55 2wcm s HIS 69 Ca 0.60 -0.59 -0.13 0.00 0.47 0.00 0.00 55.06 55.41 2wcm s HIS 69 Cb -0.47 -3.90 0.10 0.00 -0.13 0.00 0.00 32.58 28.18 2wcm s HIS 69 CO 0.58 -1.28 1.84 0.45 -2.47 0.00 0.00 174.74 173.87 2wcm h HIS 70 N 9.21 0.79 -0.21 3.88 3.86 -1.92 -0.82 115.15 129.95 2wcm h HIS 70 Ca -0.28 0.01 -0.20 0.00 -1.16 0.00 0.00 60.37 58.74 2wcm h HIS 70 Cb 1.08 -0.26 0.01 0.00 1.06 0.00 0.00 27.41 29.30 2wcm h HIS 70 CO 0.84 0.52 -0.66 0.28 0.86 0.00 0.00 177.93 179.77 2wcm h VAL 71 N 0.83 1.28 -0.44 2.45 2.07 -1.98 0.16 116.25 120.62 2wcm h VAL 71 Ca 0.22 -1.85 -0.05 0.00 0.82 0.00 0.00 66.70 65.84 2wcm h VAL 71 Cb -0.06 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 2wcm h VAL 71 CO -0.05 0.59 0.08 0.78 0.02 0.00 0.00 177.57 179.00 2wcm h ASN 72 N 0.57 0.63 -0.33 0.57 2.35 -1.84 -0.76 115.58 116.77 2wcm h ASN 72 Ca -0.02 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.58 2wcm h ASN 72 Cb 1.28 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.48 2wcm h ASN 72 CO 0.14 0.65 0.07 -0.03 -1.65 0.00 0.00 177.43 176.61 2wcm h MET 73 N 0.65 0.53 -0.43 0.81 4.05 -0.82 -0.75 114.93 118.98 2wcm h MET 73 Ca 0.14 -0.13 0.05 0.00 -0.28 0.00 0.00 59.70 59.49 2wcm h MET 73 Cb 0.29 -0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 30.97 2wcm h MET 73 CO 0.00 0.60 0.15 0.22 0.23 0.00 0.00 176.91 178.11 2wcm h ASP 74 N 0.38 0.15 -0.54 1.39 3.58 -0.69 0.09 116.42 120.77 2wcm h ASP 74 Ca 0.10 0.05 -0.11 0.00 0.42 0.00 0.00 57.03 57.49 2wcm h ASP 74 Cb 0.31 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.38 2wcm h ASP 74 CO 0.00 0.12 -0.11 -0.33 -2.88 0.00 0.00 179.24 176.05 2wcm h GLU 75 N 0.32 1.04 0.12 0.28 5.08 -0.98 -1.43 114.58 119.00 2wcm h GLU 75 Ca 0.20 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 2wcm h GLU 75 Cb 0.20 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2wcm h GLU 75 CO -0.21 1.08 -0.06 -0.92 -1.00 0.00 0.00 179.01 177.90 2wcm h TYR 76 N 0.92 -0.15 -0.63 4.33 3.20 -0.83 -2.01 116.97 121.80 2wcm h TYR 76 Ca 0.14 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.03 2wcm h TYR 76 Cb 0.68 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.96 2wcm h TYR 76 CO 0.05 -0.09 0.41 0.82 -1.64 0.00 0.00 178.16 177.70 2wcm h ILE 77 N -0.16 1.13 0.00 1.81 2.04 -0.80 -1.40 117.51 120.12 2wcm h ILE 77 Ca -0.02 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.56 2wcm h ILE 77 Cb 0.12 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 2wcm h ILE 77 CO 0.03 0.15 0.00 0.29 0.00 0.00 0.00 178.15 178.62 2wcm n LYS 78 N -4.68 0.03 0.00 2.37 5.02 -0.55 -2.22 118.16 118.13 2wcm n LYS 78 Ca 0.05 0.29 0.13 0.00 -2.02 0.00 0.00 58.31 56.77 2wcm n LYS 78 Cb 0.05 -1.50 0.72 0.00 -0.02 0.00 0.00 35.03 34.28 2wcm n LYS 78 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2wcm n SER 79 N -1.46 0.00 -4.79 4.39 3.41 -0.53 -4.57 113.62 110.07 2wcm n SER 79 Ca 0.03 -0.31 -0.26 0.00 -0.26 0.00 0.00 58.87 58.08 2wcm n SER 79 Cb 0.12 -0.21 -0.05 0.00 -0.26 0.00 0.00 64.21 63.81 2wcm n SER 79 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2wcm s PHE 80 N -2.42 3.12 0.17 7.33 0.08 -0.94 -5.03 117.98 120.29 2wcm s PHE 80 Ca 0.30 -0.04 -0.33 0.00 0.12 0.00 0.00 56.93 56.98 2wcm s PHE 80 Cb 0.18 -1.48 -0.13 0.00 -0.57 0.00 0.00 43.02 41.02 2wcm s PHE 80 CO 0.39 0.52 1.66 -2.30 -0.10 0.00 0.00 175.22 175.39 2wcm n PRO 81 N -0.46 2.45 -1.62 0.24 -0.02 -1.26 -0.99 135.00 133.33 2wcm n PRO 81 Ca -0.08 0.88 -0.20 0.00 -2.02 0.00 0.00 63.50 62.08 2wcm n PRO 81 Cb 0.55 -2.69 -0.08 0.00 -0.02 0.00 0.00 33.50 31.26 2wcm n PRO 81 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2wcm n ASN 82 N 3.88 -5.23 0.03 2.55 3.02 -1.26 -4.84 115.26 113.42 2wcm n ASN 82 Ca 0.17 0.46 0.14 0.00 -0.03 0.00 0.00 54.58 55.32 2wcm n ASN 82 Cb 0.32 -4.63 0.60 0.00 -0.61 0.00 0.00 39.78 35.46 2wcm n ASN 82 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2wcm h GLY 83 N 0.00 0.23 1.38 7.41 0.00 -1.23 -1.65 103.07 109.20 2wcm h GLY 83 Ca -0.41 -0.07 0.07 0.00 0.00 0.00 0.00 47.33 46.93 2wcm h GLY 83 CO 0.59 0.04 0.24 0.06 0.00 0.00 0.00 176.54 177.47 2wcm h GLN 84 N 0.17 0.00 0.00 4.80 -0.00 -1.83 -0.47 115.11 117.77 2wcm h GLN 84 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.85 2wcm h GLN 84 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.07 2wcm h GLN 84 CO -0.03 0.00 0.00 -0.39 -0.00 0.00 0.00 178.83 178.41 2wcm h VAL 85 N 0.00 0.00 0.00 1.86 -1.51 -1.70 -3.24 116.25 111.66 2wcm h VAL 85 Ca 0.12 -0.52 -0.05 0.00 -1.23 0.00 0.00 66.70 65.02 2wcm h VAL 85 Cb 0.60 1.44 -0.01 0.00 -2.13 0.00 0.00 31.29 31.20 2wcm h VAL 85 CO -0.00 0.00 -1.45 -0.11 -1.23 0.00 0.00 177.57 174.78 2wcm n LEU 86 N -2.71 0.00 -0.06 4.19 7.94 -0.26 -4.49 117.00 121.61 2wcm n LEU 86 Ca 0.03 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.84 2wcm n LEU 86 Cb 0.35 0.06 -0.02 0.00 0.53 0.00 0.00 43.42 44.34 2wcm n LEU 86 CO 0.27 0.06 0.93 0.00 -1.11 0.00 0.00 177.39 177.55 2wcm h ALA 87 N 0.67 0.29 -0.18 1.96 0.00 -1.39 -1.70 119.26 118.92 2wcm h ALA 87 Ca -0.07 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2wcm h ALA 87 Cb 0.74 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2wcm h ALA 87 CO 0.00 -0.30 0.10 1.49 0.00 0.00 0.00 179.25 180.55 2wcm h GLU 88 N 0.24 0.21 -0.44 0.00 4.81 -1.86 -2.62 114.58 114.91 2wcm h GLU 88 Ca 0.11 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.18 2wcm h GLU 88 Cb 0.05 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2wcm h GLU 88 CO -0.09 0.14 -0.27 -0.22 -0.73 0.00 0.00 179.01 177.84 2wcm h LYS 89 N 0.21 0.95 -0.64 1.92 3.64 -1.80 -2.17 116.57 118.69 2wcm h LYS 89 Ca 0.07 -0.44 -0.05 0.00 -1.27 0.00 0.00 60.65 58.96 2wcm h LYS 89 Cb -0.00 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 2wcm h LYS 89 CO -0.04 1.11 0.21 1.98 -2.27 0.00 0.00 179.45 180.44 2wcm h MET 90 N 0.79 0.98 -0.35 1.90 4.05 -1.31 0.13 114.93 121.12 2wcm h MET 90 Ca 0.09 -0.20 -0.09 0.00 -0.28 0.00 0.00 59.70 59.22 2wcm h MET 90 Cb 0.86 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.50 2wcm h MET 90 CO 0.08 0.86 -0.12 0.28 0.23 0.00 0.00 176.91 178.23 2wcm h VAL 91 N 0.91 1.28 -0.26 -5.77 2.07 -1.41 -0.50 116.25 112.58 2wcm h VAL 91 Ca 0.21 -1.21 0.04 0.00 0.82 0.00 0.00 66.70 66.56 2wcm h VAL 91 Cb 0.27 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 2wcm h VAL 91 CO -0.01 0.40 0.03 0.50 0.02 0.00 0.00 177.57 178.51 2wcm h LYS 92 N 0.48 0.12 -0.22 1.57 3.64 -1.21 0.00 116.57 120.96 2wcm h LYS 92 Ca 0.08 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2wcm h LYS 92 Cb 0.64 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 2wcm h LYS 92 CO 0.04 0.08 0.09 -0.07 -2.27 0.00 0.00 179.45 177.32 2wcm h LEU 93 N 0.13 0.30 -0.27 5.20 3.38 -0.47 -1.26 115.31 122.31 2wcm h LEU 93 Ca 0.12 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2wcm h LEU 93 Cb 0.13 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2wcm h LEU 93 CO -0.17 0.39 0.16 0.40 0.09 0.00 0.00 178.44 179.30 2wcm h ILE 94 N 0.20 1.11 -0.56 1.22 2.04 -0.97 -2.18 117.51 118.37 2wcm h ILE 94 Ca 0.07 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.69 2wcm h ILE 94 Cb 0.18 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 2wcm h ILE 94 CO -0.01 0.10 0.37 -0.74 0.00 0.00 0.00 178.15 177.88 2wcm h HIS 95 N 0.34 0.68 -0.40 1.37 2.76 -0.91 -0.44 115.15 118.55 2wcm h HIS 95 Ca 0.10 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.24 2wcm h HIS 95 Cb 0.03 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 28.74 2wcm h HIS 95 CO -0.04 0.42 0.07 -0.97 -1.30 0.00 0.00 177.93 176.10 2wcm h ASN 96 N 0.72 0.64 -0.76 3.26 -0.73 -0.91 -1.89 115.58 115.92 2wcm h ASN 96 Ca 0.21 -0.26 -0.06 0.00 1.87 0.00 0.00 56.30 58.06 2wcm h ASN 96 Cb -0.04 -0.17 -0.03 0.00 0.27 0.00 0.00 38.32 38.35 2wcm h ASN 96 CO -0.05 0.74 0.25 0.00 -0.37 0.00 0.00 177.43 178.00 2wcm h GLU 98 N 1.12 1.00 -0.18 0.00 5.08 -0.33 -1.85 114.58 119.42 2wcm h GLU 98 Ca 0.25 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.49 2wcm h GLU 98 Cb 0.29 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2wcm h GLU 98 CO -0.01 0.66 -0.16 0.87 -1.00 0.00 0.00 179.01 179.37 2wcm h LYS 99 N 1.03 0.30 0.00 2.33 1.57 -1.11 -1.77 116.57 118.92 2wcm h LYS 99 Ca 0.45 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 2wcm h LYS 99 Cb 0.32 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2wcm h LYS 99 CO -0.22 0.46 0.00 1.96 -0.57 0.00 0.00 179.45 181.08 2wcm h GLN 100 N 0.28 0.00 0.00 3.15 4.20 -1.13 -3.08 115.11 118.53 2wcm h GLN 100 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2wcm h GLN 100 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 2wcm h GLN 100 CO 0.03 0.00 -0.01 1.19 -0.67 0.00 0.00 178.83 179.37 2wcm n PHE 101 N -2.95 0.00 0.31 2.96 3.72 -0.92 -4.73 117.46 115.85 2wcm n PHE 101 Ca 0.02 -0.92 0.19 0.00 -0.05 0.00 0.00 57.45 56.68 2wcm n PHE 101 Cb 0.34 -0.14 1.03 0.00 -0.94 0.00 0.00 39.48 39.77 2wcm n PHE 101 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 2wcm h ASP 102 N 0.00 0.00 0.10 4.37 3.58 -1.25 -1.60 116.42 121.62 2wcm h ASP 102 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2wcm h ASP 102 Cb 0.95 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.00 2wcm h ASP 102 CO 0.00 0.00 -0.03 0.35 -2.88 0.00 0.00 179.24 176.68 2wcm n THR 103 N -3.45 0.00 -2.87 2.25 -2.24 -1.26 -4.63 114.28 102.07 2wcm n THR 103 Ca -0.02 -0.10 -0.43 0.00 -2.27 0.00 0.00 64.05 61.23 2wcm n THR 103 Cb 0.13 -0.06 -0.04 0.00 -2.10 0.00 0.00 70.33 68.25 2wcm n THR 103 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2wcm s GLU 104 N -2.14 3.44 0.29 -0.78 2.56 -0.61 -4.93 118.70 116.54 2wcm s GLU 104 Ca 0.39 -0.02 0.19 0.00 0.00 0.00 0.00 54.97 55.53 2wcm s GLU 104 Cb 0.21 -3.96 0.11 0.00 2.00 0.00 0.00 34.13 32.49 2wcm s GLU 104 CO 0.39 -1.25 1.34 1.79 -0.56 0.00 0.00 175.26 176.97 2wcm h THR 105 N 6.04 0.39 -2.54 -1.70 1.35 -1.87 -3.43 112.91 111.14 2wcm h THR 105 Ca -0.25 -1.60 -0.58 0.00 -0.55 0.00 0.00 66.41 63.44 2wcm h THR 105 Cb 1.08 2.08 -0.02 0.00 -1.73 0.00 0.00 68.15 69.56 2wcm h THR 105 CO 1.02 0.22 1.30 -0.62 -0.25 0.00 0.00 175.52 177.20 2wcm s ASP 106 N -6.10 5.87 0.14 5.36 2.15 -1.26 -4.89 116.67 117.93 2wcm s ASP 106 Ca 0.03 1.48 -0.18 0.00 0.43 0.00 0.00 52.55 54.31 2wcm s ASP 106 Cb 0.07 -2.52 -0.01 0.00 -0.30 0.00 0.00 42.92 40.16 2wcm s ASP 106 CO 0.74 -1.70 1.78 0.44 -0.17 0.00 0.00 175.17 176.26 2wcm h ASP 107 N 13.05 0.27 -0.55 -0.34 3.32 -1.97 0.92 116.42 131.11 2wcm h ASP 107 Ca -0.35 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.70 2wcm h ASP 107 Cb 1.18 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.65 2wcm h ASP 107 CO 1.01 0.20 0.34 0.00 -1.72 0.00 0.00 179.24 179.08 2wcm h THR 109 N 0.74 1.28 -0.71 0.00 2.02 -1.75 -1.92 112.91 112.58 2wcm h THR 109 Ca 0.20 -1.42 -0.04 0.00 0.77 0.00 0.00 66.41 65.92 2wcm h THR 109 Cb -0.04 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 2wcm h THR 109 CO -0.04 0.47 0.30 -0.09 0.37 0.00 0.00 175.52 176.53 2wcm h ARG 110 N 0.63 1.05 -0.42 6.66 2.43 -0.64 -1.85 114.38 122.23 2wcm h ARG 110 Ca 0.07 -0.18 -0.13 0.00 -0.81 0.00 0.00 59.98 58.94 2wcm h ARG 110 Cb 0.84 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 2wcm h ARG 110 CO 0.07 0.85 -0.24 0.28 -1.51 0.00 0.00 179.97 179.42 2wcm h VAL 111 N 1.00 1.27 -0.19 0.20 2.07 -0.96 0.40 116.25 120.05 2wcm h VAL 111 Ca 0.24 -1.38 -0.15 0.00 0.82 0.00 0.00 66.70 66.22 2wcm h VAL 111 Cb 0.18 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2wcm h VAL 111 CO -0.02 0.47 -0.52 1.62 0.02 0.00 0.00 177.57 179.13 2wcm h VAL 112 N 0.75 1.32 -0.68 2.57 3.04 -1.14 -0.36 116.25 121.76 2wcm h VAL 112 Ca 0.10 -1.76 -0.02 0.00 -1.01 0.00 0.00 66.70 64.00 2wcm h VAL 112 Cb 0.78 1.74 -0.03 0.00 -2.01 0.00 0.00 31.29 31.77 2wcm h VAL 112 CO 0.06 0.55 0.32 0.11 -1.01 0.00 0.00 177.57 177.61 2wcm h LYS 113 N 0.42 0.97 -0.50 4.17 1.57 -0.99 0.04 116.57 122.26 2wcm h LYS 113 Ca 0.01 -0.14 -0.13 0.00 -1.87 0.00 0.00 60.65 58.52 2wcm h LYS 113 Cb 1.05 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 2wcm h LYS 113 CO 0.10 0.77 -0.19 0.28 -0.57 0.00 0.00 179.45 179.84 2wcm h VAL 114 N 0.94 1.27 -0.58 0.50 2.07 -0.82 -1.30 116.25 118.32 2wcm h VAL 114 Ca 0.23 -1.36 0.04 0.00 0.82 0.00 0.00 66.70 66.44 2wcm h VAL 114 Cb 0.12 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 2wcm h VAL 114 CO -0.03 0.47 0.33 0.00 0.02 0.00 0.00 177.57 178.36 2wcm h ALA 115 N 0.88 0.76 -0.27 1.67 0.00 -0.72 0.22 119.26 121.79 2wcm h ALA 115 Ca 0.12 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2wcm h ALA 115 Cb 0.77 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2wcm h ALA 115 CO 0.06 0.02 -0.07 0.00 0.00 0.00 0.00 179.25 179.26 2wcm h ALA 116 N 1.29 0.37 -0.74 0.00 0.00 -0.69 -0.17 119.26 119.31 2wcm h ALA 116 Ca 0.25 -0.28 0.10 0.00 0.00 0.00 0.00 54.91 54.98 2wcm h ALA 116 Cb 0.10 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 2wcm h ALA 116 CO -0.14 0.19 0.37 0.00 0.00 0.00 0.00 179.25 179.68 2wcm h PHE 118 N 0.62 1.11 -0.28 0.00 3.57 -0.19 0.99 116.94 122.76 2wcm h PHE 118 Ca 0.37 -0.17 0.02 0.00 3.53 0.00 0.00 57.97 61.72 2wcm h PHE 118 Cb 0.40 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 2wcm h PHE 118 CO -0.10 0.96 0.13 -0.22 -2.23 0.00 0.00 178.31 176.85 2wcm h LYS 119 N 0.94 0.28 -0.51 1.11 3.64 -0.71 0.30 116.57 121.61 2wcm h LYS 119 Ca 0.18 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 2wcm h LYS 119 Cb 0.47 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 2wcm h LYS 119 CO 0.02 0.18 0.17 1.49 -2.27 0.00 0.00 179.45 179.04 2wcm h GLU 120 N 0.29 0.78 -0.13 1.90 4.81 -1.03 -2.18 114.58 119.01 2wcm h GLU 120 Ca 0.12 -0.16 -0.14 0.00 -0.13 0.00 0.00 59.36 59.05 2wcm h GLU 120 Cb 0.04 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 2wcm h GLU 120 CO -0.08 0.72 -0.51 -0.44 -0.73 0.00 0.00 179.01 177.97 2wcm h ASP 121 N 0.69 0.38 -0.84 1.04 3.32 -0.59 -2.21 116.42 118.21 2wcm h ASP 121 Ca 0.17 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 57.03 2wcm h ASP 121 Cb 0.26 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 2wcm h ASP 121 CO -0.01 0.82 0.56 0.28 -1.72 0.00 0.00 179.24 179.17 2wcm h SER 122 N 0.27 0.97 -0.37 6.45 0.02 -0.30 0.61 113.55 121.21 2wcm h SER 122 Ca 0.01 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 2wcm h SER 122 Cb 0.99 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 2wcm h SER 122 CO 0.08 0.71 0.21 0.03 -1.14 0.00 0.00 176.83 176.72 2wcm h ARG 123 N 1.15 0.52 -0.52 3.45 3.08 -1.08 0.21 114.38 121.18 2wcm h ARG 123 Ca 0.31 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.23 2wcm h ARG 123 Cb -0.13 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.80 2wcm h ARG 123 CO -0.07 0.42 0.05 -0.22 -1.07 0.00 0.00 179.97 179.09 2wcm h LYS 124 N 0.48 0.85 -0.01 0.04 3.64 -0.81 -2.54 116.57 118.21 2wcm h LYS 124 Ca 0.13 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2wcm h LYS 124 Cb 0.06 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2wcm h LYS 124 CO -0.02 0.82 -0.21 0.39 -2.27 0.00 0.00 179.45 178.15 2wcm n GLU 125 N -4.23 1.23 -2.04 1.90 -0.58 0.15 -4.96 120.64 112.12 2wcm n GLU 125 Ca 0.03 -0.82 -0.02 0.00 -0.42 0.00 0.00 57.16 55.93 2wcm n GLU 125 Cb 0.28 -1.48 -0.00 0.00 -0.57 0.00 0.00 31.44 29.67 2wcm n GLU 125 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wcm n GLY 126 N 1.32 0.27 0.53 0.62 0.00 0.05 -4.97 105.19 103.01 2wcm n GLY 126 Ca 0.13 -0.79 0.06 0.00 0.00 0.00 0.00 46.02 45.43 2wcm n GLY 126 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2wcm n ILE 127 N -4.00 1.53 -3.13 -0.61 -5.35 0.51 -3.68 119.36 104.63 2wcm n ILE 127 Ca -0.03 -1.45 -0.41 0.00 -0.27 0.00 0.00 62.75 60.59 2wcm n ILE 127 Cb 0.52 0.16 -0.07 0.00 -1.74 0.00 0.00 39.64 38.51 2wcm n ILE 127 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wcm s ALA 128 N -1.83 3.50 0.84 -1.28 0.00 -1.14 -4.17 121.76 117.67 2wcm s ALA 128 Ca 0.26 -0.76 -0.12 0.00 0.00 0.00 0.00 51.96 51.35 2wcm s ALA 128 Cb 0.19 -3.11 0.10 0.00 0.00 0.00 0.00 23.12 20.29 2wcm s ALA 128 CO 0.09 -1.18 1.12 -1.25 0.00 0.00 0.00 175.76 174.54 2wcm s PRO 129 N 2.62 1.71 0.26 0.00 0.04 -1.26 -4.81 135.00 133.56 2wcm s PRO 129 Ca 0.24 0.45 -0.06 0.00 0.04 0.00 0.00 61.00 61.67 2wcm s PRO 129 Cb -0.15 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 2wcm s PRO 129 CO 0.13 -1.83 0.54 -1.21 0.04 0.00 0.00 177.00 174.66 2wcm s GLU 130 N -5.25 3.67 0.30 4.56 0.41 -1.26 -4.91 118.70 116.22 2wcm s GLU 130 Ca 0.62 0.06 0.03 0.00 -0.41 0.00 0.00 54.97 55.27 2wcm s GLU 130 Cb -0.14 -2.66 0.63 0.00 -1.78 0.00 0.00 34.13 30.17 2wcm s GLU 130 CO 0.53 0.26 1.84 0.28 -0.49 0.00 0.00 175.26 177.69 2wcm h VAL 131 N 1.56 0.89 -0.99 2.63 2.07 -1.86 -1.62 116.25 118.94 2wcm h VAL 131 Ca -0.47 -0.31 0.14 0.00 0.82 0.00 0.00 66.70 66.87 2wcm h VAL 131 Cb 1.18 -0.10 -0.09 0.00 -1.52 0.00 0.00 31.29 30.77 2wcm h VAL 131 CO 0.67 0.17 0.62 0.00 0.02 0.00 0.00 177.57 179.05 2wcm h ALA 132 N 1.56 1.61 -0.38 1.67 0.00 -1.97 -0.25 119.26 121.50 2wcm h ALA 132 Ca 0.49 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 55.27 2wcm h ALA 132 Cb 0.55 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2wcm h ALA 132 CO -0.25 0.12 -0.37 0.52 0.00 0.00 0.00 179.25 179.26 2wcm h MET 133 N 0.90 0.91 -0.50 0.00 2.86 -1.70 -1.88 114.93 115.53 2wcm h MET 133 Ca 0.51 -0.47 0.02 0.00 -2.06 0.00 0.00 59.70 57.69 2wcm h MET 133 Cb 0.62 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.26 2wcm h MET 133 CO -0.28 1.12 0.31 0.28 1.06 0.00 0.00 176.91 179.40 2wcm h VAL 134 N 0.75 1.08 -0.75 -2.22 2.07 -1.19 -3.06 116.25 112.93 2wcm h VAL 134 Ca 0.06 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.39 2wcm h VAL 134 Cb 0.96 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 2wcm h VAL 134 CO 0.09 0.11 0.49 -0.33 0.02 0.00 0.00 177.57 177.95 2wcm h GLU 135 N 0.62 0.95 -0.98 1.57 5.08 -0.94 -2.10 114.58 118.79 2wcm h GLU 135 Ca 0.19 -0.06 0.21 0.00 -1.00 0.00 0.00 59.36 58.71 2wcm h GLU 135 Cb -0.02 -0.21 -0.09 0.00 0.50 0.00 0.00 28.75 28.93 2wcm h GLU 135 CO -0.07 0.63 0.62 0.00 -1.00 0.00 0.00 179.01 179.19 2wcm h ALA 136 N 1.29 1.96 -0.00 3.43 0.00 -1.27 0.61 119.26 125.28 2wcm h ALA 136 Ca 0.28 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2wcm h ALA 136 Cb -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2wcm h ALA 136 CO -0.08 -0.32 -0.03 0.28 0.00 0.00 0.00 179.25 179.10 2wcm h VAL 137 N 0.57 1.56 -0.98 0.00 2.07 -1.30 -3.21 116.25 114.96 2wcm h VAL 137 Ca 0.55 -1.69 0.18 0.00 0.82 0.00 0.00 66.70 66.55 2wcm h VAL 137 Cb 1.11 2.69 -0.09 0.00 -1.52 0.00 0.00 31.29 33.48 2wcm h VAL 137 CO -0.29 0.44 0.61 0.40 0.02 0.00 0.00 177.57 178.75 2wcm h ILE 138 N -0.67 0.75 0.00 4.57 2.04 -0.89 -2.39 117.51 120.93 2wcm h ILE 138 Ca -0.00 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2wcm h ILE 138 Cb 0.74 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2wcm h ILE 138 CO 0.01 0.14 0.00 -0.62 0.00 0.00 0.00 178.15 177.67 2wcm n GLU 139 N -4.68 0.92 0.11 2.37 1.02 0.15 -2.99 120.64 117.55 2wcm n GLU 139 Ca 0.21 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.47 2wcm n GLU 139 Cb 0.55 -1.13 0.06 0.00 -0.02 0.00 0.00 31.44 30.90 2wcm n GLU 139 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2wcm h LYS 140 N 0.00 0.00 0.00 3.49 1.57 -1.44 -3.50 116.57 116.70 2wcm h LYS 140 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wcm h LYS 140 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2wcm h LYS 140 CO 0.00 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.54