#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8c s SER 2 N 0.00 6.44 0.17 1.61 1.04 -1.26 -5.04 113.70 116.66 2d8c s SER 2 Ca 0.00 0.58 -0.32 0.00 0.48 0.00 0.00 55.95 56.69 2d8c s SER 2 Cb 0.00 -2.08 -0.11 0.00 0.10 0.00 0.00 66.02 63.93 2d8c s SER 2 CO 0.00 -0.09 1.65 -0.94 0.98 0.00 0.00 173.24 174.84 2d8c s SER 3 N -3.02 6.50 0.20 7.02 1.04 -1.26 -4.87 113.70 119.31 2d8c s SER 3 Ca 0.41 2.71 -0.24 0.00 0.48 0.00 0.00 55.95 59.31 2d8c s SER 3 Cb -0.11 -2.59 -0.15 0.00 0.10 0.00 0.00 66.02 63.27 2d8c s SER 3 CO 0.28 -0.90 0.41 0.61 0.98 0.00 0.00 173.24 174.63 2d8c n GLY 4 N 3.89 -1.68 3.55 7.32 0.00 -1.26 -4.97 105.19 112.04 2d8c n GLY 4 Ca 0.15 0.26 -0.00 0.00 0.00 0.00 0.00 46.02 46.43 2d8c n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d8c s SER 5 N -0.89 -1.07 0.40 1.61 0.01 -1.26 -5.15 113.70 107.35 2d8c s SER 5 Ca 0.57 1.36 -0.26 0.00 1.31 0.00 0.00 55.95 58.93 2d8c s SER 5 Cb -0.80 2.17 -0.09 0.00 0.21 0.00 0.00 66.02 67.52 2d8c s SER 5 CO 0.51 -0.20 1.26 -0.55 0.41 0.00 0.00 173.24 174.66 2d8c s SER 6 N 2.82 6.38 0.00 2.44 0.15 -1.26 -4.97 113.70 119.26 2d8c s SER 6 Ca -0.03 2.56 0.00 0.00 0.70 0.00 0.00 55.95 59.18 2d8c s SER 6 Cb -0.11 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 2d8c s SER 6 CO -0.19 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.07 2d8c n GLY 7 N 0.67 3.08 2.84 9.45 0.00 -1.26 -5.06 105.19 114.91 2d8c n GLY 7 Ca 0.04 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 2d8c n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2d8c n MET 8 N 0.00 3.98 -3.69 1.61 1.56 -1.26 -5.03 117.12 114.29 2d8c n MET 8 Ca 0.00 -4.80 -0.36 0.00 -0.27 0.00 0.00 57.70 52.27 2d8c n MET 8 Cb 0.00 -2.32 -0.09 0.00 2.15 0.00 0.00 33.22 32.97 2d8c n MET 8 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2d8c s LEU 9 N -3.75 4.17 0.23 -0.89 2.01 -1.26 -5.09 118.68 114.11 2d8c s LEU 9 Ca 0.46 0.20 0.06 0.00 0.01 0.00 0.00 54.13 54.86 2d8c s LEU 9 Cb 0.25 -2.11 -0.05 0.00 0.01 0.00 0.00 46.19 44.28 2d8c s LEU 9 CO -0.13 0.13 -0.09 -0.94 1.01 0.00 0.00 176.35 176.33 2d8c s SER 10 N 0.64 2.49 -0.52 2.29 1.04 -1.26 -4.95 113.70 113.44 2d8c s SER 10 Ca 0.08 -1.11 -0.18 0.00 0.48 0.00 0.00 55.95 55.22 2d8c s SER 10 Cb -0.12 -0.12 0.07 0.00 0.10 0.00 0.00 66.02 65.95 2d8c s SER 10 CO 0.01 -0.29 0.59 0.00 0.98 0.00 0.00 173.24 174.53 2d8c s ALA 11 N -3.07 3.43 0.27 5.32 0.00 -1.26 -4.93 121.76 121.52 2d8c s ALA 11 Ca 0.26 -1.93 -0.02 0.00 0.00 0.00 0.00 51.96 50.27 2d8c s ALA 11 Cb 0.02 -3.33 0.40 0.00 0.00 0.00 0.00 23.12 20.22 2d8c s ALA 11 CO 0.09 -2.02 1.89 -0.09 0.00 0.00 0.00 175.76 175.63 2d8c h ARG 12 N 8.98 1.16 -6.26 0.00 9.65 -2.05 -3.42 114.38 122.43 2d8c h ARG 12 Ca -0.28 -0.07 -0.58 0.00 -1.10 0.00 0.00 59.98 57.95 2d8c h ARG 12 Cb 1.10 -0.26 -0.09 0.00 -1.39 0.00 0.00 29.97 29.33 2d8c h ARG 12 CO 0.98 0.76 -0.61 -0.08 2.80 0.00 0.00 179.97 183.82 2d8c s THR 13 N -6.04 4.03 -0.15 0.20 -1.32 -1.26 -5.03 115.64 106.07 2d8c s THR 13 Ca -0.12 -1.34 0.15 0.00 -1.21 0.00 0.00 61.69 59.16 2d8c s THR 13 Cb 0.20 -3.06 0.34 0.00 -1.51 0.00 0.00 72.50 68.47 2d8c s THR 13 CO 0.81 -0.15 1.17 1.15 -2.21 0.00 0.00 174.62 175.40 2d8c n MET 14 N -0.35 1.28 0.23 7.08 0.00 -1.26 -4.71 117.12 119.38 2d8c n MET 14 Ca -0.09 -2.79 0.10 0.00 0.00 0.00 0.00 57.70 54.93 2d8c n MET 14 Cb 0.55 -1.41 0.52 0.00 0.00 0.00 0.00 33.22 32.88 2d8c n MET 14 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 2d8c h LYS 15 N 0.51 0.00 0.00 3.17 1.57 -1.96 -3.35 116.57 116.52 2d8c h LYS 15 Ca -0.01 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.59 2d8c h LYS 15 Cb 1.07 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.36 2d8c h LYS 15 CO 0.01 0.21 -1.45 -0.85 -0.57 0.00 0.00 179.45 176.80 2d8c n GLU 16 N -3.46 0.41 -1.80 3.15 0.28 -1.26 -3.71 120.64 114.25 2d8c n GLU 16 Ca -0.00 0.17 -0.03 0.00 -0.16 0.00 0.00 57.16 57.13 2d8c n GLU 16 Cb 0.39 -1.21 -0.01 0.00 1.43 0.00 0.00 31.44 32.04 2d8c n GLU 16 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 2d8c n VAL 17 N -4.06 -0.08 -0.03 3.84 3.14 -1.26 -4.63 118.33 115.25 2d8c n VAL 17 Ca -0.26 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.08 2d8c n VAL 17 Cb 0.59 -0.41 -0.03 0.00 -1.06 0.00 0.00 33.84 32.93 2d8c n VAL 17 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2d8c n VAL 18 N -2.00 0.35 1.48 1.55 0.24 -1.26 -2.65 118.33 116.04 2d8c n VAL 18 Ca -0.04 -0.13 0.07 0.00 -2.04 0.00 0.00 64.34 62.20 2d8c n VAL 18 Cb 0.32 -0.77 0.29 0.00 -1.47 0.00 0.00 33.84 32.21 2d8c n VAL 18 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2d8c n TYR 19 N -2.72 0.18 -0.69 6.34 4.01 -1.26 -0.94 117.16 122.08 2d8c n TYR 19 Ca -0.11 -0.09 -0.32 0.00 -0.16 0.00 0.00 57.90 57.22 2d8c n TYR 19 Cb 0.61 0.00 0.16 0.00 -0.31 0.00 0.00 39.34 39.81 2d8c n TYR 19 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2d8c n TRP 20 N -0.05 -1.12 -2.56 -0.72 7.02 -1.26 -4.92 117.44 113.82 2d8c n TRP 20 Ca 0.11 0.17 -0.24 0.00 -1.02 0.00 0.00 57.50 56.52 2d8c n TRP 20 Cb 0.19 -1.73 0.04 0.00 -2.42 0.00 0.00 31.31 27.39 2d8c n TRP 20 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 2d8c s SER 21 N -2.09 5.38 0.25 -0.99 0.01 -1.26 -4.14 113.70 110.85 2d8c s SER 21 Ca 0.60 0.33 0.23 0.00 1.31 0.00 0.00 55.95 58.42 2d8c s SER 21 Cb -0.19 -1.27 0.97 0.00 0.21 0.00 0.00 66.02 65.74 2d8c s SER 21 CO 0.65 -1.12 1.70 -0.81 0.41 0.00 0.00 173.24 174.07 2d8c n PRO 22 N -2.47 0.19 -0.07 12.44 -0.04 -1.26 -2.71 135.00 141.08 2d8c n PRO 22 Ca 0.06 0.42 -0.13 0.00 -0.04 0.00 0.00 63.50 63.81 2d8c n PRO 22 Cb 0.59 -1.86 -0.14 0.00 -0.04 0.00 0.00 33.50 32.04 2d8c n PRO 22 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2d8c n LYS 23 N -2.21 0.68 0.19 0.54 3.00 -1.26 -4.40 118.16 114.69 2d8c n LYS 23 Ca 0.02 0.13 -0.14 0.00 -0.00 0.00 0.00 58.31 58.32 2d8c n LYS 23 Cb 0.22 -1.61 -0.08 0.00 0.00 0.00 0.00 35.03 33.56 2d8c n LYS 23 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2d8c h LYS 24 N 0.01 -0.46 -1.07 1.64 1.63 -1.88 -2.92 116.57 113.52 2d8c h LYS 24 Ca -0.48 0.03 0.43 0.00 -0.85 0.00 0.00 60.65 59.78 2d8c h LYS 24 Cb 2.09 0.10 -0.17 0.00 -0.60 0.00 0.00 32.23 33.65 2d8c h LYS 24 CO 0.02 -0.17 0.61 0.28 -3.45 0.00 0.00 179.45 176.74 2d8c h VAL 25 N -0.73 0.02 0.30 2.00 2.07 -1.74 0.28 116.25 118.45 2d8c h VAL 25 Ca -0.05 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 2d8c h VAL 25 Cb 0.50 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 2d8c h VAL 25 CO 0.08 0.00 -0.15 0.00 0.02 0.00 0.00 177.57 177.53 2d8c h ALA 26 N 1.92 -0.41 -1.09 1.67 0.00 -1.73 -3.04 119.26 116.57 2d8c h ALA 26 Ca 0.85 -0.19 0.30 0.00 0.00 0.00 0.00 54.91 55.87 2d8c h ALA 26 Cb 2.33 0.16 -0.08 0.00 0.00 0.00 0.00 17.79 20.20 2d8c h ALA 26 CO -0.70 -0.54 0.74 -0.44 0.00 0.00 0.00 179.25 178.31 2d8c h ASP 27 N -0.79 0.27 0.20 0.00 3.32 -0.30 0.75 116.42 119.87 2d8c h ASP 27 Ca -0.04 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 2d8c h ASP 27 Cb 0.51 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 2d8c h ASP 27 CO 0.07 0.04 -0.34 -0.25 -1.72 0.00 0.00 179.24 177.04 2d8c h TRP 28 N 0.23 0.23 -0.04 4.55 7.01 -1.20 -0.49 115.95 126.23 2d8c h TRP 28 Ca 0.59 -0.05 -0.05 0.00 2.11 0.00 0.00 58.89 61.48 2d8c h TRP 28 Cb 1.82 -0.06 0.00 0.00 -2.10 0.00 0.00 29.16 28.82 2d8c h TRP 28 CO -0.00 0.52 -0.19 -0.07 -2.79 0.00 0.00 178.44 175.91 2d8c h LEU 29 N 0.18 0.24 -1.22 0.65 3.38 0.60 -3.23 115.31 115.91 2d8c h LEU 29 Ca 0.02 -0.65 -0.08 0.00 0.09 0.00 0.00 57.88 57.26 2d8c h LEU 29 Cb 0.68 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2d8c h LEU 29 CO 0.05 0.85 -0.36 -0.07 0.09 0.00 0.00 178.44 179.00 2d8c h LEU 30 N -0.36 0.06 -2.43 1.67 3.38 -1.32 0.79 115.31 117.10 2d8c h LEU 30 Ca -0.01 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2d8c h LEU 30 Cb 0.84 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 2d8c h LEU 30 CO 0.04 0.42 0.08 -0.08 0.09 0.00 0.00 178.44 178.99 2d8c h GLU 31 N 0.05 0.00 -0.10 1.13 4.57 -1.10 -0.41 114.58 118.72 2d8c h GLU 31 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2d8c h GLU 31 Cb 0.66 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 2d8c h GLU 31 CO 0.05 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 177.97 2d8c n ASN 32 N -3.72 2.77 -2.81 1.04 3.02 -0.94 -4.98 115.26 109.64 2d8c n ASN 32 Ca -0.01 -2.80 -0.12 0.00 -0.03 0.00 0.00 54.58 51.61 2d8c n ASN 32 Cb 0.17 -0.38 0.07 0.00 -0.61 0.00 0.00 39.78 39.03 2d8c n ASN 32 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2d8c n ALA 33 N -0.87 -1.56 -2.53 5.41 0.00 -0.16 -4.97 120.51 115.83 2d8c n ALA 33 Ca 0.15 -0.03 -0.20 0.00 0.00 0.00 0.00 53.44 53.36 2d8c n ALA 33 Cb 0.63 -2.25 0.01 0.00 0.00 0.00 0.00 19.45 17.84 2d8c n ALA 33 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2d8c n MET 34 N -3.26 2.64 0.27 0.00 2.81 0.27 -4.84 117.12 115.02 2d8c n MET 34 Ca -0.19 -4.06 0.17 0.00 -1.81 0.00 0.00 57.70 51.81 2d8c n MET 34 Cb 0.62 -1.90 0.69 0.00 -0.71 0.00 0.00 33.22 31.92 2d8c n MET 34 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2d8c h PRO 35 N 2.70 0.00 0.00 0.03 0.13 -1.91 -2.80 132.00 130.15 2d8c h PRO 35 Ca 0.16 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.27 2d8c h PRO 35 Cb 1.04 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 2d8c h PRO 35 CO 0.71 0.00 -0.11 1.05 -0.23 0.00 0.00 178.00 179.43 2d8c h GLU 36 N 0.00 0.00 0.00 0.86 4.11 -1.92 -1.69 114.58 115.94 2d8c h GLU 36 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2d8c h GLU 36 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2d8c h GLU 36 CO 0.00 0.11 -0.82 0.66 0.07 0.00 0.00 179.01 179.03 2d8c n TYR 37 N -3.54 0.03 -0.34 2.06 4.01 -1.06 -4.23 117.16 114.09 2d8c n TYR 37 Ca -0.02 0.01 -0.02 0.00 -0.16 0.00 0.00 57.90 57.71 2d8c n TYR 37 Cb 0.24 -0.15 0.11 0.00 -0.31 0.00 0.00 39.34 39.22 2d8c n TYR 37 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2d8c h GLU 39 N 1.21 -0.94 0.00 0.00 5.08 -1.74 1.40 114.58 119.60 2d8c h GLU 39 Ca 0.35 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.77 2d8c h GLU 39 Cb -0.08 0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2d8c h GLU 39 CO -0.09 -0.63 -0.03 -1.00 -1.00 0.00 0.00 179.01 176.27 2d8c h PRO 40 N -0.97 0.00 -0.34 2.33 0.13 -1.78 -2.66 132.00 128.71 2d8c h PRO 40 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2d8c h PRO 40 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 2d8c h PRO 40 CO -0.09 0.03 0.00 1.28 -0.23 0.00 0.00 178.00 178.99 2d8c n LEU 41 N -3.13 4.03 0.16 1.56 4.77 0.72 -4.68 117.00 120.41 2d8c n LEU 41 Ca 0.00 -2.81 -0.14 0.00 -0.03 0.00 0.00 56.01 53.03 2d8c n LEU 41 Cb 0.31 -0.52 -0.07 0.00 -2.33 0.00 0.00 43.42 40.82 2d8c n LEU 41 CO 0.28 0.69 0.65 1.05 -1.33 0.00 0.00 177.39 178.72 2d8c h GLU 42 N 2.26 -0.59 -0.97 3.23 4.11 0.23 -2.49 114.58 120.37 2d8c h GLU 42 Ca 0.00 0.04 -0.55 0.00 0.07 0.00 0.00 59.36 58.92 2d8c h GLU 42 Cb 1.40 0.13 -0.30 0.00 0.50 0.00 0.00 28.75 30.49 2d8c h GLU 42 CO 0.22 -0.39 0.67 -2.39 0.07 0.00 0.00 179.01 177.19 2d8c n HIS 43 N -5.43 3.03 -3.67 2.06 1.44 -1.26 -4.69 115.22 106.71 2d8c n HIS 43 Ca -0.08 -2.16 -0.36 0.00 -2.01 0.00 0.00 57.72 53.11 2d8c n HIS 43 Cb 0.34 -1.06 -0.06 0.00 0.12 0.00 0.00 29.99 29.33 2d8c n HIS 43 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2d8c s PHE 44 N -3.44 3.63 0.04 -1.40 0.40 -0.94 -4.96 117.98 111.30 2d8c s PHE 44 Ca 0.59 0.73 0.04 0.00 -0.60 0.00 0.00 56.93 57.68 2d8c s PHE 44 Cb 0.48 -2.10 -0.04 0.00 0.51 0.00 0.00 43.02 41.87 2d8c s PHE 44 CO 0.07 0.63 -0.03 0.95 0.70 0.00 0.00 175.22 177.54 2d8c s THR 45 N -1.20 3.86 0.24 0.64 -4.23 -1.26 -4.34 115.64 109.35 2d8c s THR 45 Ca 0.25 -0.83 0.15 0.00 -1.18 0.00 0.00 61.69 60.08 2d8c s THR 45 Cb -0.14 -2.75 0.24 0.00 1.34 0.00 0.00 72.50 71.19 2d8c s THR 45 CO 0.13 0.29 0.98 0.61 -0.54 0.00 0.00 174.62 176.09 2d8c n GLY 46 N 1.16 -0.48 0.18 3.99 0.00 -1.26 0.14 105.19 108.93 2d8c n GLY 46 Ca -0.14 0.50 -0.13 0.00 0.00 0.00 0.00 46.02 46.25 2d8c n GLY 46 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2d8c h GLN 47 N 0.00 -0.36 -0.56 1.61 5.75 -0.80 -1.74 115.11 119.01 2d8c h GLN 47 Ca 0.53 0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 59.01 2d8c h GLN 47 Cb 1.49 0.08 -0.03 0.00 1.07 0.00 0.00 27.48 30.09 2d8c h GLN 47 CO -0.43 -0.05 0.15 -0.44 -2.65 0.00 0.00 178.83 175.41 2d8c h ASP 48 N -0.69 0.79 0.09 -0.69 5.19 0.98 -2.03 116.42 120.06 2d8c h ASP 48 Ca -0.04 -0.13 -0.00 0.00 -0.62 0.00 0.00 57.03 56.23 2d8c h ASP 48 Cb 0.48 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.78 2d8c h ASP 48 CO 0.06 0.76 -0.04 0.25 -3.12 0.00 0.00 179.24 177.15 2d8c h LEU 49 N 0.82 -0.10 -1.82 1.55 6.46 -0.57 -2.00 115.31 119.64 2d8c h LEU 49 Ca 0.18 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.92 2d8c h LEU 49 Cb 0.27 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.23 2d8c h LEU 49 CO -0.00 -0.05 0.00 0.16 -0.62 0.00 0.00 178.44 177.93 2d8c h ILE 50 N -0.15 0.00 -0.20 4.05 3.07 -1.16 -1.97 117.51 121.14 2d8c h ILE 50 Ca -0.01 -0.30 0.00 0.00 1.55 0.00 0.00 64.86 66.10 2d8c h ILE 50 Cb 0.12 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 37.91 2d8c h ILE 50 CO 0.02 0.00 0.00 0.59 -1.05 0.00 0.00 178.15 177.71 2d8c n ASN 51 N -2.94 2.15 -4.77 2.16 3.02 -0.76 -4.86 115.26 109.26 2d8c n ASN 51 Ca -0.00 -2.21 -0.39 0.00 -0.03 0.00 0.00 54.58 51.95 2d8c n ASN 51 Cb 0.21 -0.44 -0.06 0.00 -0.61 0.00 0.00 39.78 38.88 2d8c n ASN 51 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2d8c s LEU 52 N -0.92 4.42 0.19 3.41 1.43 -0.74 -5.03 118.68 121.44 2d8c s LEU 52 Ca 0.17 1.10 0.01 0.00 -1.03 0.00 0.00 54.13 54.38 2d8c s LEU 52 Cb 0.12 -2.84 -0.05 0.00 0.03 0.00 0.00 46.19 43.46 2d8c s LEU 52 CO 0.07 0.14 0.05 0.42 0.23 0.00 0.00 176.35 177.26 2d8c s THR 53 N -0.33 0.51 0.40 5.49 -4.23 -1.26 -5.01 115.64 111.21 2d8c s THR 53 Ca 0.29 -1.98 0.16 0.00 -1.18 0.00 0.00 61.69 58.99 2d8c s THR 53 Cb -0.18 -2.28 0.37 0.00 1.34 0.00 0.00 72.50 71.75 2d8c s THR 53 CO 0.16 -0.30 1.82 -0.61 -0.54 0.00 0.00 174.62 175.15 2d8c h GLN 54 N 2.63 0.44 0.00 3.99 4.15 -1.98 0.61 115.11 124.95 2d8c h GLN 54 Ca -0.37 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.00 2d8c h GLN 54 Cb 1.22 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.81 2d8c h GLN 54 CO 0.61 0.29 -0.10 1.05 -1.93 0.00 0.00 178.83 178.75 2d8c h GLU 55 N 0.45 0.00 0.00 1.69 4.11 -2.00 -1.42 114.58 117.41 2d8c h GLU 55 Ca 0.52 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.91 2d8c h GLU 55 Cb 1.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 2d8c h GLU 55 CO -0.23 0.10 -0.16 -0.44 0.07 0.00 0.00 179.01 178.35 2d8c h ASP 56 N 0.00 0.00 0.08 3.06 5.19 -0.09 -3.30 116.42 121.36 2d8c h ASP 56 Ca -0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2d8c h ASP 56 Cb 0.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.81 2d8c h ASP 56 CO 0.01 0.16 -0.04 -0.26 -3.12 0.00 0.00 179.24 176.00 2d8c h PHE 57 N 0.00 -0.10 -1.06 4.55 -1.00 -1.17 -3.24 116.94 114.92 2d8c h PHE 57 Ca -0.00 -0.00 0.31 0.00 2.81 0.00 0.00 57.97 61.08 2d8c h PHE 57 Cb 0.91 0.03 -0.04 0.00 3.61 0.00 0.00 35.95 40.46 2d8c h PHE 57 CO 0.00 0.43 1.14 1.57 -1.61 0.00 0.00 178.31 179.84 2d8c h LYS 58 N -0.91 0.00 -5.61 1.51 2.10 -1.61 -3.34 116.57 108.71 2d8c h LYS 58 Ca -0.01 0.00 -0.50 0.00 -2.00 0.00 0.00 60.65 58.14 2d8c h LYS 58 Cb 0.57 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 31.76 2d8c h LYS 58 CO 0.02 0.00 -0.70 -1.59 -2.00 0.00 0.00 179.45 175.18 2d8c s LYS 59 N -4.51 1.52 0.93 0.07 -2.85 -1.22 -4.99 119.74 108.68 2d8c s LYS 59 Ca -0.03 -1.74 -0.12 0.00 -1.00 0.00 0.00 55.97 53.08 2d8c s LYS 59 Cb 0.16 -1.23 0.15 0.00 -2.06 0.00 0.00 37.83 34.84 2d8c s LYS 59 CO 0.53 0.11 1.09 -1.25 0.10 0.00 0.00 175.35 175.93 2d8c s PRO 60 N -3.68 0.99 0.21 1.78 0.04 -1.26 -3.67 135.00 129.40 2d8c s PRO 60 Ca 0.28 0.72 -0.03 0.00 0.04 0.00 0.00 61.00 62.01 2d8c s PRO 60 Cb 0.02 -1.79 0.16 0.00 0.04 0.00 0.00 34.50 32.93 2d8c s PRO 60 CO 0.11 -2.40 1.56 -1.00 0.04 0.00 0.00 177.00 175.32 2d8c h PRO 61 N -1.66 0.63 -5.78 0.56 0.13 -1.93 -3.48 132.00 120.46 2d8c h PRO 61 Ca -0.51 -0.33 -0.48 0.00 -0.87 0.00 0.00 66.00 63.81 2d8c h PRO 61 Cb 1.30 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 2d8c h PRO 61 CO 0.56 0.93 1.52 -0.51 -0.23 0.00 0.00 178.00 180.26 2d8c s LEU 62 N -8.57 3.37 -0.19 1.56 1.43 -1.24 -4.90 118.68 110.14 2d8c s LEU 62 Ca -0.08 0.85 -0.09 0.00 -1.03 0.00 0.00 54.13 53.78 2d8c s LEU 62 Cb 0.12 -2.58 0.07 0.00 0.03 0.00 0.00 46.19 43.83 2d8c s LEU 62 CO 0.84 -2.63 0.45 -0.47 0.23 0.00 0.00 176.35 174.76 2d8c s TYR 63 N 10.78 -0.72 -0.94 0.29 5.04 -1.25 -3.90 117.35 126.65 2d8c s TYR 63 Ca 0.86 1.46 -0.09 0.00 -2.44 0.00 0.00 57.07 56.86 2d8c s TYR 63 Cb -0.16 0.33 0.09 0.00 0.35 0.00 0.00 41.96 42.56 2d8c s TYR 63 CO 0.25 -0.41 0.30 0.54 -1.34 0.00 0.00 175.55 174.89 2d8c n ARG 64 N 4.58 -2.42 -0.01 4.97 5.12 -1.26 -4.79 116.66 122.85 2d8c n ARG 64 Ca -0.19 0.21 -0.17 0.00 -1.93 0.00 0.00 57.85 55.76 2d8c n ARG 64 Cb 0.54 -4.79 -0.07 0.00 -1.16 0.00 0.00 32.46 26.98 2d8c n ARG 64 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2d8c h VAL 65 N -0.50 1.29 -3.95 1.55 2.07 -1.92 -3.45 116.25 111.33 2d8c h VAL 65 Ca -0.30 -2.04 -0.45 0.00 0.82 0.00 0.00 66.70 64.73 2d8c h VAL 65 Cb 1.20 2.06 -0.22 0.00 -1.52 0.00 0.00 31.29 32.81 2d8c h VAL 65 CO 0.42 0.64 -0.79 -0.55 0.02 0.00 0.00 177.57 177.30 2d8c s SER 66 N -7.13 1.88 -0.00 0.57 0.15 -1.26 -4.93 113.70 102.99 2d8c s SER 66 Ca -0.10 -0.63 -0.00 0.00 0.70 0.00 0.00 55.95 55.92 2d8c s SER 66 Cb 0.08 -0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.32 2d8c s SER 66 CO 0.90 -0.04 1.97 -1.20 1.20 0.00 0.00 173.24 176.08 2d8c n SER 67 N 1.25 5.29 -0.20 5.45 7.64 -1.26 -3.33 113.62 128.46 2d8c n SER 67 Ca -0.21 -2.40 0.03 0.00 1.01 0.00 0.00 58.87 57.30 2d8c n SER 67 Cb 0.54 -1.11 0.04 0.00 -1.01 0.00 0.00 64.21 62.66 2d8c n SER 67 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2d8c n ASP 68 N 1.47 0.97 -2.29 6.43 9.92 -1.26 -4.98 116.55 126.81 2d8c n ASP 68 Ca 0.00 -2.09 -0.12 0.00 -0.53 0.00 0.00 54.79 52.05 2d8c n ASP 68 Cb 0.50 -0.19 -0.01 0.00 -0.64 0.00 0.00 41.12 40.78 2d8c n ASP 68 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2d8c n ASN 69 N -0.47 -3.80 0.00 -2.24 2.85 -1.21 -0.38 115.26 110.00 2d8c n ASN 69 Ca 0.04 0.21 0.00 0.00 -0.11 0.00 0.00 54.58 54.73 2d8c n ASN 69 Cb 0.57 -3.28 0.00 0.00 1.24 0.00 0.00 39.78 38.31 2d8c n ASN 69 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2d8c n GLY 70 N -0.72 2.68 0.22 8.20 0.00 -1.26 -4.87 105.19 109.43 2d8c n GLY 70 Ca -0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.82 2d8c n GLY 70 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2d8c n GLN 71 N -0.36 -0.23 -0.28 1.61 0.00 0.49 -0.27 117.38 118.34 2d8c n GLN 71 Ca 0.00 0.96 -0.07 0.00 -0.00 0.00 0.00 57.00 57.89 2d8c n GLN 71 Cb 0.00 -1.42 -0.07 0.00 0.00 0.00 0.00 30.24 28.75 2d8c n GLN 71 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.06 176.97 2d8c h ARG 72 N 0.00 -0.01 0.58 3.69 2.43 -1.90 0.30 114.38 119.48 2d8c h ARG 72 Ca 0.08 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 2d8c h ARG 72 Cb 0.21 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 2d8c h ARG 72 CO -0.49 -0.00 -0.48 1.25 -1.51 0.00 0.00 179.97 178.74 2d8c h LEU 73 N -0.01 -1.28 -0.99 3.80 5.85 -1.15 -1.31 115.31 120.22 2d8c h LEU 73 Ca 0.11 0.09 0.35 0.00 0.84 0.00 0.00 57.88 59.27 2d8c h LEU 73 Cb 0.28 0.41 -0.17 0.00 0.37 0.00 0.00 40.66 41.55 2d8c h LEU 73 CO -0.63 -0.67 0.44 -0.07 -0.34 0.00 0.00 178.44 177.17 2d8c h LEU 74 N -1.04 0.23 -0.36 2.25 3.38 0.21 0.81 115.31 120.80 2d8c h LEU 74 Ca -0.07 0.23 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 2d8c h LEU 74 Cb 0.88 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2d8c h LEU 74 CO -0.01 -0.30 -0.15 -0.78 0.09 0.00 0.00 178.44 177.30 2d8c h ASP 75 N 0.13 0.76 0.17 -0.43 1.82 0.16 0.39 116.42 119.41 2d8c h ASP 75 Ca 0.75 -0.39 -0.05 0.00 -0.39 0.00 0.00 57.03 56.95 2d8c h ASP 75 Cb 1.80 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 41.59 2d8c h ASP 75 CO -0.73 0.98 -0.20 0.24 -1.61 0.00 0.00 179.24 177.93 2d8c h MET 76 N 0.53 0.06 0.14 0.28 2.86 0.16 -2.92 114.93 116.05 2d8c h MET 76 Ca 0.08 -0.01 -0.34 0.00 -2.06 0.00 0.00 59.70 57.37 2d8c h MET 76 Cb 0.68 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.33 2d8c h MET 76 CO 0.05 0.26 -1.73 0.82 1.06 0.00 0.00 176.91 177.37 2d8c h ILE 77 N 0.06 0.93 -0.98 -1.22 2.04 -0.62 -3.34 117.51 114.39 2d8c h ILE 77 Ca 0.01 -2.58 0.26 0.00 1.00 0.00 0.00 64.86 63.55 2d8c h ILE 77 Cb 0.39 2.69 -0.06 0.00 -0.74 0.00 0.00 36.82 39.09 2d8c h ILE 77 CO 0.03 0.83 0.67 -0.08 0.00 0.00 0.00 178.15 179.59 2d8c h GLU 78 N 0.08 0.23 0.00 2.37 4.81 -0.02 0.86 114.58 122.90 2d8c h GLU 78 Ca -0.32 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.86 2d8c h GLU 78 Cb 2.06 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 31.38 2d8c h GLU 78 CO 0.15 0.15 -0.16 0.00 -0.73 0.00 0.00 179.01 178.41 2d8c h THR 79 N 0.23 0.33 0.00 0.32 1.03 -1.66 -2.19 112.91 110.98 2d8c h THR 79 Ca 0.51 -1.19 -0.10 0.00 -0.01 0.00 0.00 66.41 65.62 2d8c h THR 79 Cb 1.58 1.93 -0.01 0.00 -1.07 0.00 0.00 68.15 70.57 2d8c h THR 79 CO -0.14 0.16 -0.46 -0.07 -0.01 0.00 0.00 175.52 175.00 2d8c h LEU 80 N 0.00 0.00 0.00 0.00 3.38 0.61 -3.33 115.31 115.96 2d8c h LEU 80 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2d8c h LEU 80 Cb 0.91 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 2d8c h LEU 80 CO 0.02 0.46 -0.94 0.11 0.09 0.00 0.00 178.44 178.19 2d8c h LYS 81 N 0.00 0.00 -1.21 1.13 6.56 -1.36 -3.35 116.57 118.34 2d8c h LYS 81 Ca -0.00 0.00 0.38 0.00 -1.06 0.00 0.00 60.65 59.97 2d8c h LYS 81 Cb 1.18 0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 32.76 2d8c h LYS 81 CO 0.06 0.62 0.84 0.00 -2.06 0.00 0.00 179.45 178.91 2d8c n MET 82 N -4.51 -0.01 0.11 3.15 0.00 -0.83 0.76 117.12 115.78 2d8c n MET 82 Ca -0.22 0.84 -0.07 0.00 0.00 0.00 0.00 57.70 58.25 2d8c n MET 82 Cb 0.51 -1.79 -0.04 0.00 0.00 0.00 0.00 33.22 31.90 2d8c n MET 82 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 2d8c h GLU 83 N 0.00 -0.36 -7.03 3.17 5.08 -1.72 -3.46 114.58 110.26 2d8c h GLU 83 Ca 0.66 0.02 -0.55 0.00 -1.00 0.00 0.00 59.36 58.49 2d8c h GLU 83 Cb 2.39 0.08 0.13 0.00 0.50 0.00 0.00 28.75 31.86 2d8c h GLU 83 CO -0.17 -0.17 0.64 -1.58 -1.00 0.00 0.00 179.01 176.73 2d8c s HIS 84 N -2.94 2.32 -0.94 4.33 2.46 0.23 -4.84 115.29 115.91 2d8c s HIS 84 Ca -0.07 1.34 -0.25 0.00 0.47 0.00 0.00 55.06 56.55 2d8c s HIS 84 Cb 0.01 -3.85 -0.09 0.00 -0.13 0.00 0.00 32.58 28.52 2d8c s HIS 84 CO 0.23 -2.95 2.05 -1.01 -2.47 0.00 0.00 174.74 170.59 2d8c s HIS 85 N -1.27 1.65 -0.59 3.88 3.76 -1.26 -4.85 115.29 116.61 2d8c s HIS 85 Ca 0.69 1.01 0.03 0.00 -0.15 0.00 0.00 55.06 56.64 2d8c s HIS 85 Cb -0.42 -3.85 0.15 0.00 1.11 0.00 0.00 32.58 29.56 2d8c s HIS 85 CO 0.51 -1.53 0.35 -1.64 -0.85 0.00 0.00 174.74 171.58 2d8c s MET 86 N 7.42 2.20 -1.63 1.40 -1.94 -1.26 -4.80 119.30 120.68 2d8c s MET 86 Ca 0.75 -2.81 -0.14 0.00 -1.71 0.00 0.00 55.69 51.78 2d8c s MET 86 Cb -0.07 -3.41 0.12 0.00 2.01 0.00 0.00 34.83 33.48 2d8c s MET 86 CO 0.05 -1.16 0.70 0.39 -0.01 0.00 0.00 175.02 174.99 2d8c n GLU 87 N 2.85 -3.24 -0.01 2.03 -0.58 -1.26 -4.85 120.64 115.58 2d8c n GLU 87 Ca 0.09 0.38 -0.03 0.00 -0.42 0.00 0.00 57.16 57.18 2d8c n GLU 87 Cb 0.33 -4.96 -0.01 0.00 -0.57 0.00 0.00 31.44 26.23 2d8c n GLU 87 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2d8c n ALA 88 N -4.41 1.93 -0.19 0.62 0.00 -1.26 -4.75 120.51 112.44 2d8c n ALA 88 Ca -0.01 -0.34 -0.07 0.00 0.00 0.00 0.00 53.44 53.02 2d8c n ALA 88 Cb 0.54 0.12 0.02 0.00 0.00 0.00 0.00 19.45 20.13 2d8c n ALA 88 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 2d8c h HIS 89 N -0.38 0.74 -0.83 0.00 -0.00 -1.95 -3.38 115.15 109.35 2d8c h HIS 89 Ca 0.00 -0.01 -0.26 0.00 -0.00 0.00 0.00 60.37 60.10 2d8c h HIS 89 Cb 0.38 -0.24 -0.03 0.00 -0.00 0.00 0.00 27.41 27.52 2d8c h HIS 89 CO -0.16 0.53 0.68 0.15 -0.00 0.00 0.00 177.93 179.13 2d8c s LYS 90 N -5.90 2.30 -0.45 5.12 1.02 -1.26 -4.89 119.74 115.67 2d8c s LYS 90 Ca -0.13 0.11 -0.27 0.00 0.02 0.00 0.00 55.97 55.70 2d8c s LYS 90 Cb 0.12 -4.88 -0.05 0.00 -0.52 0.00 0.00 37.83 32.50 2d8c s LYS 90 CO 0.76 -3.56 2.18 -0.80 -0.92 0.00 0.00 175.35 173.00 2d8c s ASN 91 N 8.98 4.97 -0.23 2.83 -0.87 -1.26 -4.93 114.94 124.44 2d8c s ASN 91 Ca 0.77 1.07 0.00 0.00 -1.57 0.00 0.00 52.86 53.13 2d8c s ASN 91 Cb -0.10 -2.51 0.06 0.00 -0.02 0.00 0.00 41.25 38.68 2d8c s ASN 91 CO 0.05 -2.47 -0.04 -0.44 -2.57 0.00 0.00 177.10 171.63 2d8c s SER 92 N 9.87 3.73 0.00 -1.22 0.01 -1.26 -4.85 113.70 119.98 2d8c s SER 92 Ca 0.89 -1.12 0.00 0.00 1.31 0.00 0.00 55.95 57.02 2d8c s SER 92 Cb -0.19 -1.11 0.00 0.00 0.21 0.00 0.00 66.02 64.92 2d8c s SER 92 CO 0.27 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.29 2d8c n GLY 93 N 4.72 0.88 0.00 3.44 0.00 -1.26 -4.97 105.19 107.99 2d8c n GLY 93 Ca -0.12 -0.80 0.07 0.00 0.00 0.00 0.00 46.02 45.17 2d8c n GLY 93 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d8c n PRO 94 N -0.01 0.49 -4.45 1.61 -0.04 -1.26 -4.74 135.00 126.61 2d8c n PRO 94 Ca 0.00 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 2d8c n PRO 94 Cb 0.00 -1.46 -0.11 0.00 -0.04 0.00 0.00 33.50 31.90 2d8c n PRO 94 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2d8c s SER 95 N -1.96 2.39 -1.38 3.54 1.04 -1.26 -4.82 113.70 111.25 2d8c s SER 95 Ca 0.22 -1.36 -0.08 0.00 0.48 0.00 0.00 55.95 55.20 2d8c s SER 95 Cb 0.10 -0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.16 2d8c s SER 95 CO 0.17 -0.58 1.06 -0.24 0.98 0.00 0.00 173.24 174.63 2d8c n SER 96 N -0.67 -4.90 0.00 7.02 2.88 -1.26 -5.19 113.62 111.50 2d8c n SER 96 Ca -0.03 -0.64 0.07 0.00 -1.33 0.00 0.00 58.87 56.94 2d8c n SER 96 Cb 0.66 -4.64 0.43 0.00 -0.75 0.00 0.00 64.21 59.92 2d8c n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42