#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8c n SER 2 N 0.00 -0.12 -0.08 1.61 3.41 -1.26 -2.20 113.62 114.98 2d8c n SER 2 Ca 0.00 1.41 -0.10 0.00 -0.26 0.00 0.00 58.87 59.92 2d8c n SER 2 Cb 0.00 -0.50 -0.04 0.00 -0.26 0.00 0.00 64.21 63.41 2d8c n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2d8c n SER 3 N -5.20 1.84 -1.03 4.04 7.64 -1.26 -5.09 113.62 114.55 2d8c n SER 3 Ca 0.19 0.54 -0.00 0.00 1.01 0.00 0.00 58.87 60.61 2d8c n SER 3 Cb 0.61 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 2d8c n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d8c n GLY 4 N 1.54 1.96 3.57 0.23 0.00 -0.93 -5.17 105.19 106.39 2d8c n GLY 4 Ca -0.15 -1.01 -0.28 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.04 1.64 -0.96 1.61 0.01 -1.26 -4.24 113.70 109.46 2d8c s SER 5 Ca 0.00 1.37 -0.21 0.00 1.31 0.00 0.00 55.95 58.42 2d8c s SER 5 Cb -0.00 -2.10 0.09 0.00 0.21 0.00 0.00 66.02 64.22 2d8c s SER 5 CO 0.00 -3.77 1.28 -0.44 0.41 0.00 0.00 173.24 170.72 2d8c s SER 6 N -2.92 6.55 0.00 2.44 0.01 -1.26 -4.80 113.70 113.72 2d8c s SER 6 Ca 0.67 -1.71 0.00 0.00 1.31 0.00 0.00 55.95 56.22 2d8c s SER 6 Cb -0.22 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.53 2d8c s SER 6 CO 0.62 -1.30 0.00 0.61 0.41 0.00 0.00 173.24 173.58 2d8c n GLY 7 N 6.14 -0.16 0.98 3.44 0.00 -1.26 -5.04 105.19 109.30 2d8c n GLY 7 Ca 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.28 2d8c n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2d8c n MET 8 N -1.14 0.03 -2.36 1.61 0.00 -1.26 -5.04 117.12 108.95 2d8c n MET 8 Ca 0.00 0.01 -0.40 0.00 0.00 0.00 0.00 57.70 57.31 2d8c n MET 8 Cb 0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 33.22 32.63 2d8c n MET 8 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 175.97 175.49 2d8c s LEU 9 N -6.73 4.47 0.21 4.03 0.05 -1.26 -5.03 118.68 114.42 2d8c s LEU 9 Ca -0.02 2.39 -0.19 0.00 0.05 0.00 0.00 54.13 56.36 2d8c s LEU 9 Cb 0.00 -3.69 0.03 0.00 -2.05 0.00 0.00 46.19 40.48 2d8c s LEU 9 CO 0.02 -0.32 0.58 -0.55 -0.55 0.00 0.00 176.35 175.54 2d8c s SER 10 N -0.82 -0.30 -0.86 1.48 0.15 -1.26 -4.91 113.70 107.18 2d8c s SER 10 Ca 0.47 -0.46 -0.26 0.00 0.70 0.00 0.00 55.95 56.41 2d8c s SER 10 Cb -0.34 0.62 -0.16 0.00 -1.71 0.00 0.00 66.02 64.43 2d8c s SER 10 CO 0.44 -1.11 2.34 0.00 1.20 0.00 0.00 173.24 176.11 2d8c n ALA 11 N -0.38 0.30 0.05 5.45 0.00 -1.26 -4.75 120.51 119.93 2d8c n ALA 11 Ca -0.09 -1.59 -0.13 0.00 0.00 0.00 0.00 53.44 51.63 2d8c n ALA 11 Cb 0.62 -3.29 -0.09 0.00 0.00 0.00 0.00 19.45 16.69 2d8c n ALA 11 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2d8c h ARG 12 N 12.45 -0.13 -7.17 0.00 2.43 -2.00 -3.44 114.38 116.51 2d8c h ARG 12 Ca 0.00 0.01 -0.53 0.00 -0.81 0.00 0.00 59.98 58.65 2d8c h ARG 12 Cb 1.00 0.03 0.15 0.00 -0.42 0.00 0.00 29.97 30.73 2d8c h ARG 12 CO 1.01 0.19 0.40 -0.08 -1.51 0.00 0.00 179.97 179.97 2d8c s THR 13 N -4.86 2.42 -0.02 0.20 -1.32 -1.26 -4.96 115.64 105.85 2d8c s THR 13 Ca -0.15 0.21 0.03 0.00 -1.21 0.00 0.00 61.69 60.57 2d8c s THR 13 Cb 0.03 -2.79 0.04 0.00 -1.51 0.00 0.00 72.50 68.27 2d8c s THR 13 CO 0.63 -0.11 0.85 0.23 -2.21 0.00 0.00 174.62 174.01 2d8c n MET 14 N -2.62 0.70 0.29 7.08 2.81 -1.26 -4.73 117.12 119.40 2d8c n MET 14 Ca 0.13 -1.15 0.16 0.00 -1.81 0.00 0.00 57.70 55.03 2d8c n MET 14 Cb 0.50 -0.74 0.91 0.00 -0.71 0.00 0.00 33.22 33.19 2d8c n MET 14 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2d8c h LYS 15 N 0.00 0.00 0.00 0.03 6.56 -1.89 -3.30 116.57 117.97 2d8c h LYS 15 Ca 0.00 0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 59.45 2d8c h LYS 15 Cb 1.05 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.68 2d8c h LYS 15 CO 0.00 0.04 -1.30 -0.85 -2.06 0.00 0.00 179.45 175.29 2d8c n GLU 16 N -3.52 0.27 -1.79 3.15 0.28 -1.26 -2.48 120.64 115.29 2d8c n GLU 16 Ca -0.02 0.11 -0.02 0.00 -0.16 0.00 0.00 57.16 57.07 2d8c n GLU 16 Cb 0.15 -0.95 -0.01 0.00 1.43 0.00 0.00 31.44 32.06 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 -3.71 -0.05 -0.03 3.84 3.14 -1.24 -4.61 118.33 115.67 2d8c n VAL 17 Ca -0.19 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.15 2d8c n VAL 17 Cb 0.53 -0.27 -0.02 0.00 -1.06 0.00 0.00 33.84 33.02 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 -1.92 0.30 1.59 1.55 0.24 -1.26 -2.69 118.33 116.14 2d8c n VAL 18 Ca -0.02 -0.11 0.12 0.00 -2.04 0.00 0.00 64.34 62.28 2d8c n VAL 18 Cb 0.30 -0.69 0.54 0.00 -1.47 0.00 0.00 33.84 32.51 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 -2.66 0.08 -0.70 6.34 4.01 -1.26 -1.23 117.16 121.73 2d8c n TYR 19 Ca -0.09 -0.04 -0.33 0.00 -0.16 0.00 0.00 57.90 57.28 2d8c n TYR 19 Cb 0.60 0.00 0.16 0.00 -0.31 0.00 0.00 39.34 39.79 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 -0.18 -1.46 -3.11 -0.72 7.02 -1.26 -4.91 117.44 112.82 2d8c n TRP 20 Ca 0.17 0.17 -0.20 0.00 -1.02 0.00 0.00 57.50 56.62 2d8c n TRP 20 Cb 0.24 -1.58 0.01 0.00 -2.42 0.00 0.00 31.31 27.55 2d8c n TRP 20 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2d8c s SER 21 N -1.82 5.77 0.25 -0.99 1.04 -1.26 -4.18 113.70 112.51 2d8c s SER 21 Ca 0.55 -0.03 0.23 0.00 0.48 0.00 0.00 55.95 57.19 2d8c s SER 21 Cb -0.12 -1.21 0.97 0.00 0.10 0.00 0.00 66.02 65.76 2d8c s SER 21 CO 0.66 -0.68 1.70 -0.81 0.98 0.00 0.00 173.24 175.09 2d8c n PRO 22 N -1.93 0.19 -0.03 4.02 -0.04 -1.26 -2.50 135.00 133.45 2d8c n PRO 22 Ca 0.03 0.42 -0.01 0.00 -0.04 0.00 0.00 63.50 63.90 2d8c n PRO 22 Cb 0.58 -1.86 -0.14 0.00 -0.04 0.00 0.00 33.50 32.05 2d8c n PRO 22 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2d8c n LYS 23 N -2.21 0.66 0.01 0.54 4.76 -1.26 -4.42 118.16 116.24 2d8c n LYS 23 Ca 0.02 0.02 -0.10 0.00 -2.87 0.00 0.00 58.31 55.38 2d8c n LYS 23 Cb 0.22 -1.62 -0.08 0.00 -1.84 0.00 0.00 35.03 31.71 2d8c n LYS 23 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2d8c h LYS 24 N 0.00 -0.13 -1.10 1.97 1.63 -1.85 -3.22 116.57 113.88 2d8c h LYS 24 Ca -0.26 0.01 0.42 0.00 -0.85 0.00 0.00 60.65 59.97 2d8c h LYS 24 Cb 1.67 0.03 -0.16 0.00 -0.60 0.00 0.00 32.23 33.17 2d8c h LYS 24 CO 0.03 0.37 0.65 0.28 -3.45 0.00 0.00 179.45 177.33 2d8c n VAL 25 N -4.84 -0.34 0.29 2.00 0.31 -1.04 -0.23 118.33 114.48 2d8c n VAL 25 Ca -0.07 1.86 -0.13 0.00 -0.01 0.00 0.00 64.34 65.98 2d8c n VAL 25 Cb 0.28 -3.03 -0.07 0.00 -0.91 0.00 0.00 33.84 30.11 2d8c n VAL 25 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2d8c h ALA 26 N 1.76 -0.78 -1.19 3.52 0.00 -1.77 -3.08 119.26 117.72 2d8c h ALA 26 Ca 0.83 -0.19 0.39 0.00 0.00 0.00 0.00 54.91 55.93 2d8c h ALA 26 Cb 2.38 0.30 -0.13 0.00 0.00 0.00 0.00 17.79 20.34 2d8c h ALA 26 CO -0.62 -0.76 0.74 -0.44 0.00 0.00 0.00 179.25 178.17 2d8c h ASP 27 N -1.13 0.33 -0.39 0.00 5.19 -0.61 1.25 116.42 121.06 2d8c h ASP 27 Ca -0.08 0.15 -0.06 0.00 -0.62 0.00 0.00 57.03 56.42 2d8c h ASP 27 Cb 0.64 0.13 -0.02 0.00 0.18 0.00 0.00 39.33 40.25 2d8c h ASP 27 CO 0.13 -0.16 0.05 -0.25 -3.12 0.00 0.00 179.24 175.89 2d8c h TRP 28 N 0.16 0.76 0.39 4.55 7.01 -1.32 -1.37 115.95 126.14 2d8c h TRP 28 Ca 0.78 -0.08 -0.02 0.00 2.11 0.00 0.00 58.89 61.67 2d8c h TRP 28 Cb 2.23 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 29.08 2d8c h TRP 28 CO -0.01 0.68 -0.19 -0.07 -2.79 0.00 0.00 178.44 176.07 2d8c h LEU 29 N 0.70 -0.44 -1.59 0.65 3.38 0.17 -3.14 115.31 115.03 2d8c h LEU 29 Ca 0.15 0.02 0.21 0.00 0.09 0.00 0.00 57.88 58.34 2d8c h LEU 29 Cb 0.35 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 2d8c h LEU 29 CO 0.01 -0.24 0.60 -0.07 0.09 0.00 0.00 178.44 178.82 2d8c h LEU 30 N -0.67 0.34 -2.23 1.67 -0.00 -1.51 0.39 115.31 113.30 2d8c h LEU 30 Ca -0.05 0.04 0.05 0.00 -0.00 0.00 0.00 57.88 57.92 2d8c h LEU 30 Cb 0.40 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.03 2d8c h LEU 30 CO 0.09 0.13 0.22 -0.08 -0.00 0.00 0.00 178.44 178.80 2d8c h GLU 31 N 0.34 0.00 -0.11 1.13 4.57 -1.20 0.79 114.58 120.10 2d8c h GLU 31 Ca 0.46 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.64 2d8c h GLU 31 Cb 1.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 2d8c h GLU 31 CO -0.15 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 177.77 2d8c n ASN 32 N -3.74 2.85 -2.60 1.04 3.02 0.12 -4.97 115.26 110.98 2d8c n ASN 32 Ca 0.02 -2.83 -0.12 0.00 -0.03 0.00 0.00 54.58 51.61 2d8c n ASN 32 Cb 0.34 -0.39 0.06 0.00 -0.61 0.00 0.00 39.78 39.17 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 -0.85 -1.25 -2.52 5.41 0.00 0.27 -4.97 120.51 116.60 2d8c n ALA 33 Ca 0.15 0.02 -0.24 0.00 0.00 0.00 0.00 53.44 53.37 2d8c n ALA 33 Cb 0.65 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.94 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 -3.15 3.09 0.00 0.00 2.81 -0.32 -4.82 117.12 114.73 2d8c n MET 34 Ca -0.15 -4.33 0.07 0.00 -1.81 0.00 0.00 57.70 51.48 2d8c n MET 34 Cb 0.60 -2.10 0.34 0.00 -0.71 0.00 0.00 33.22 31.35 2d8c n MET 34 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2d8c n PRO 35 N -0.41 0.11 0.12 0.03 -0.04 -1.26 -2.35 135.00 131.20 2d8c n PRO 35 Ca 0.34 0.20 0.01 0.00 -0.04 0.00 0.00 63.50 64.01 2d8c n PRO 35 Cb 0.68 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.63 2d8c n PRO 35 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2d8c h GLU 36 N 0.00 0.00 0.00 0.54 9.09 -1.93 -3.24 114.58 119.04 2d8c h GLU 36 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2d8c h GLU 36 Cb 0.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.29 2d8c h GLU 36 CO 0.00 0.56 -0.84 0.66 0.05 0.00 0.00 179.01 179.44 2d8c n TYR 37 N -3.21 0.05 -0.23 2.06 4.01 -0.99 -4.19 117.16 114.65 2d8c n TYR 37 Ca 0.01 0.01 -0.01 0.00 -0.16 0.00 0.00 57.90 57.75 2d8c n TYR 37 Cb 0.78 -0.18 0.21 0.00 -0.31 0.00 0.00 39.34 39.84 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 1.04 -1.15 0.00 0.00 5.08 -1.74 1.27 114.58 119.07 2d8c h GLU 39 Ca 0.27 0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 2d8c h GLU 39 Cb -0.04 0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2d8c h GLU 39 CO -0.05 -0.77 0.00 -1.00 -1.00 0.00 0.00 179.01 176.19 2d8c h PRO 40 N -1.23 0.00 -0.28 2.33 0.13 -1.77 -2.52 132.00 128.66 2d8c h PRO 40 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2d8c h PRO 40 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 2d8c h PRO 40 CO 0.20 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.25 2d8c n LEU 41 N -2.97 2.90 -0.16 1.56 4.77 1.00 -4.59 117.00 119.50 2d8c n LEU 41 Ca 0.01 -1.52 -0.02 0.00 -0.03 0.00 0.00 56.01 54.45 2d8c n LEU 41 Cb 0.28 -0.18 0.06 0.00 -2.33 0.00 0.00 43.42 41.25 2d8c n LEU 41 CO 0.26 0.64 0.83 1.05 -1.33 0.00 0.00 177.39 178.84 2d8c h GLU 42 N 3.13 0.09 -0.76 3.23 4.11 0.21 -0.60 114.58 123.99 2d8c h GLU 42 Ca 0.00 -0.01 -0.34 0.00 0.07 0.00 0.00 59.36 59.08 2d8c h GLU 42 Cb 0.77 -0.02 -0.20 0.00 0.50 0.00 0.00 28.75 29.79 2d8c h GLU 42 CO 0.00 0.06 0.37 -2.39 0.07 0.00 0.00 179.01 177.12 2d8c n HIS 43 N -5.25 2.41 -3.78 2.06 1.44 -1.26 -4.61 115.22 106.22 2d8c n HIS 43 Ca 0.06 -1.58 -0.35 0.00 -2.01 0.00 0.00 57.72 53.84 2d8c n HIS 43 Cb 0.28 -0.76 -0.05 0.00 0.12 0.00 0.00 29.99 29.58 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 -3.19 3.59 0.02 -1.40 0.40 -0.23 -4.97 117.98 112.19 2d8c s PHE 44 Ca 0.53 0.56 0.02 0.00 -0.60 0.00 0.00 56.93 57.45 2d8c s PHE 44 Cb 0.45 -1.98 -0.04 0.00 0.51 0.00 0.00 43.02 41.96 2d8c s PHE 44 CO 0.09 0.64 -0.00 0.95 0.70 0.00 0.00 175.22 177.60 2d8c s THR 45 N -1.25 4.09 0.23 0.64 -4.23 -1.26 -4.27 115.64 109.58 2d8c s THR 45 Ca 0.25 -0.70 0.11 0.00 -1.18 0.00 0.00 61.69 60.18 2d8c s THR 45 Cb -0.13 -2.85 0.23 0.00 1.34 0.00 0.00 72.50 71.09 2d8c s THR 45 CO 0.14 0.32 0.99 0.61 -0.54 0.00 0.00 174.62 176.15 2d8c n GLY 46 N 1.21 -0.53 0.06 3.99 0.00 -1.26 0.18 105.19 108.85 2d8c n GLY 46 Ca -0.14 0.53 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.04 -0.70 1.61 5.75 -0.95 -1.82 115.11 118.97 2d8c h GLN 47 Ca 0.51 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.94 2d8c h GLN 47 Cb 1.32 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.85 2d8c h GLN 47 CO -0.50 0.27 0.15 -0.44 -2.65 0.00 0.00 178.83 175.66 2d8c h ASP 48 N -0.35 1.08 -0.06 -0.69 5.19 0.16 -2.05 116.42 119.69 2d8c h ASP 48 Ca -0.00 -0.25 0.01 0.00 -0.62 0.00 0.00 57.03 56.17 2d8c h ASP 48 Cb 0.33 -0.29 -0.01 0.00 0.18 0.00 0.00 39.33 39.54 2d8c h ASP 48 CO 0.01 1.05 -0.01 0.25 -3.12 0.00 0.00 179.24 177.42 2d8c h LEU 49 N 1.07 -0.04 -1.94 1.55 6.46 -0.51 -1.67 115.31 120.23 2d8c h LEU 49 Ca 0.22 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.98 2d8c h LEU 49 Cb 0.41 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.36 2d8c h LEU 49 CO 0.01 -0.01 -0.07 0.16 -0.62 0.00 0.00 178.44 177.91 2d8c h ILE 50 N 0.01 0.28 -0.08 4.05 3.07 -1.23 -1.90 117.51 121.72 2d8c h ILE 50 Ca 0.03 -0.47 0.00 0.00 1.55 0.00 0.00 64.86 65.97 2d8c h ILE 50 Cb 0.04 1.36 0.00 0.00 -0.27 0.00 0.00 36.82 37.95 2d8c h ILE 50 CO -0.06 0.07 0.00 0.59 -1.05 0.00 0.00 178.15 177.70 2d8c n ASN 51 N -3.34 1.09 -4.76 2.16 3.02 -0.63 -4.83 115.26 107.96 2d8c n ASN 51 Ca -0.01 -2.06 -0.39 0.00 -0.03 0.00 0.00 54.58 52.09 2d8c n ASN 51 Cb 0.24 -0.31 -0.06 0.00 -0.61 0.00 0.00 39.78 39.04 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 -0.65 4.40 0.22 3.41 1.43 -0.72 -5.03 118.68 121.75 2d8c s LEU 52 Ca 0.07 1.14 0.02 0.00 -1.03 0.00 0.00 54.13 54.33 2d8c s LEU 52 Cb 0.04 -2.92 -0.05 0.00 0.03 0.00 0.00 46.19 43.30 2d8c s LEU 52 CO 0.03 0.08 0.03 0.42 0.23 0.00 0.00 176.35 177.14 2d8c s THR 53 N -0.09 0.78 0.43 5.49 -4.23 -1.26 -5.00 115.64 111.76 2d8c s THR 53 Ca 0.31 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.03 2d8c s THR 53 Cb -0.18 -2.35 0.41 0.00 1.34 0.00 0.00 72.50 71.73 2d8c s THR 53 CO 0.17 -0.29 1.81 -0.61 -0.54 0.00 0.00 174.62 175.16 2d8c h GLN 54 N 2.52 0.31 -0.28 3.99 4.15 -1.96 0.44 115.11 124.29 2d8c h GLN 54 Ca -0.38 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 58.97 2d8c h GLN 54 Cb 1.22 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.83 2d8c h GLN 54 CO 0.63 0.21 -0.08 1.05 -1.93 0.00 0.00 178.83 178.71 2d8c h GLU 55 N 0.32 0.45 0.00 1.69 4.11 -2.00 -1.93 114.58 117.23 2d8c h GLU 55 Ca 0.53 -0.11 -0.02 0.00 0.07 0.00 0.00 59.36 59.84 2d8c h GLU 55 Cb 1.49 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.67 2d8c h GLU 55 CO -0.20 0.54 -0.09 -0.44 0.07 0.00 0.00 179.01 178.89 2d8c h ASP 56 N 0.43 0.00 0.49 3.06 3.32 -0.44 -2.40 116.42 120.87 2d8c h ASP 56 Ca 0.09 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.91 2d8c h ASP 56 Cb 0.40 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 2d8c h ASP 56 CO 0.02 0.09 -0.97 -0.26 -1.72 0.00 0.00 179.24 176.40 2d8c h PHE 57 N 0.00 0.46 -0.06 4.55 -1.00 -1.25 -3.15 116.94 116.49 2d8c h PHE 57 Ca -0.00 -0.27 0.02 0.00 2.81 0.00 0.00 57.97 60.53 2d8c h PHE 57 Cb 0.36 -0.05 -0.00 0.00 3.61 0.00 0.00 35.95 39.87 2d8c h PHE 57 CO 0.00 1.11 0.10 0.87 -1.61 0.00 0.00 178.31 178.77 2d8c h LYS 58 N 0.15 0.00 -5.44 1.51 1.57 -1.37 -3.34 116.57 109.66 2d8c h LYS 58 Ca -0.07 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.26 2d8c h LYS 58 Cb 1.62 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.79 2d8c h LYS 58 CO 0.16 0.00 -0.70 -1.59 -0.57 0.00 0.00 179.45 176.75 2d8c s LYS 59 N -4.49 1.40 0.90 3.15 -2.85 -1.19 -5.00 119.74 111.66 2d8c s LYS 59 Ca -0.05 -1.67 -0.12 0.00 -1.00 0.00 0.00 55.97 53.13 2d8c s LYS 59 Cb 0.14 -1.03 0.13 0.00 -2.06 0.00 0.00 37.83 35.02 2d8c s LYS 59 CO 0.50 0.08 1.09 -1.25 0.10 0.00 0.00 175.35 175.87 2d8c s PRO 60 N -3.72 1.22 0.22 1.78 0.04 -1.26 -3.58 135.00 129.70 2d8c s PRO 60 Ca 0.26 0.80 -0.02 0.00 0.04 0.00 0.00 61.00 62.08 2d8c s PRO 60 Cb 0.02 -1.81 0.20 0.00 0.04 0.00 0.00 34.50 32.95 2d8c s PRO 60 CO 0.09 -2.26 1.58 -1.00 0.04 0.00 0.00 177.00 175.45 2d8c h PRO 61 N -1.56 0.57 -5.81 0.56 0.13 -1.94 -3.48 132.00 120.46 2d8c h PRO 61 Ca -0.50 -0.30 -0.50 0.00 -0.87 0.00 0.00 66.00 63.84 2d8c h PRO 61 Cb 1.29 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 2d8c h PRO 61 CO 0.55 0.89 1.51 -0.51 -0.23 0.00 0.00 178.00 180.21 2d8c s LEU 62 N -8.50 3.39 -0.19 1.56 1.43 -1.23 -4.90 118.68 110.22 2d8c s LEU 62 Ca -0.07 1.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.92 2d8c s LEU 62 Cb 0.12 -2.72 0.06 0.00 0.03 0.00 0.00 46.19 43.68 2d8c s LEU 62 CO 0.83 -2.54 0.47 -0.47 0.23 0.00 0.00 176.35 174.87 2d8c s TYR 63 N 10.48 -0.69 -0.65 0.29 5.04 -1.25 -3.93 117.35 126.63 2d8c s TYR 63 Ca 0.89 1.46 -0.03 0.00 -2.44 0.00 0.00 57.07 56.95 2d8c s TYR 63 Cb -0.18 0.34 0.03 0.00 0.35 0.00 0.00 41.96 42.50 2d8c s TYR 63 CO 0.26 -0.38 0.12 0.54 -1.34 0.00 0.00 175.55 174.76 2d8c n ARG 64 N 4.17 -2.65 0.10 4.97 5.12 -1.26 -4.78 116.66 122.34 2d8c n ARG 64 Ca -0.22 0.25 -0.03 0.00 -1.93 0.00 0.00 57.85 55.93 2d8c n ARG 64 Cb 0.56 -4.82 0.20 0.00 -1.16 0.00 0.00 32.46 27.24 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 -0.22 1.34 -5.06 1.55 2.07 -1.93 -3.46 116.25 110.55 2d8c h VAL 65 Ca -0.20 -1.70 -0.65 0.00 0.82 0.00 0.00 66.70 64.97 2d8c h VAL 65 Cb 1.14 1.82 -0.13 0.00 -1.52 0.00 0.00 31.29 32.60 2d8c h VAL 65 CO 0.25 0.50 -0.48 -0.24 0.02 0.00 0.00 177.57 177.62 2d8c n SER 66 N -3.96 3.09 -0.01 0.57 2.88 -1.26 -4.95 113.62 109.98 2d8c n SER 66 Ca -0.02 -3.25 0.10 0.00 -1.33 0.00 0.00 58.87 54.37 2d8c n SER 66 Cb 0.53 0.47 -0.14 0.00 -0.75 0.00 0.00 64.21 64.32 2d8c n SER 66 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2d8c n SER 67 N -1.34 0.59 -2.22 -3.46 2.88 -1.26 -4.33 113.62 104.48 2d8c n SER 67 Ca -0.19 -0.40 -0.28 0.00 -1.33 0.00 0.00 58.87 56.67 2d8c n SER 67 Cb 0.65 1.55 0.12 0.00 -0.75 0.00 0.00 64.21 65.78 2d8c n SER 67 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2d8c n ASP 68 N -1.90 5.58 -3.76 -3.46 8.00 -1.26 -4.86 116.55 114.89 2d8c n ASP 68 Ca -0.01 -3.62 -0.27 0.00 0.71 0.00 0.00 54.79 51.61 2d8c n ASP 68 Cb 0.44 -0.90 0.05 0.00 -0.02 0.00 0.00 41.12 40.69 2d8c n ASP 68 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2d8c n ASN 69 N -0.93 -4.93 -3.22 -2.24 3.02 -1.26 -1.72 115.26 103.97 2d8c n ASN 69 Ca 0.58 -0.69 -0.21 0.00 -0.03 0.00 0.00 54.58 54.23 2d8c n ASN 69 Cb 1.15 -4.38 0.07 0.00 -0.61 0.00 0.00 39.78 36.01 2d8c n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2d8c n GLY 70 N -1.77 -0.39 0.06 7.41 0.00 -1.26 -4.95 105.19 104.29 2d8c n GLY 70 Ca -0.02 0.15 -0.04 0.00 0.00 0.00 0.00 46.02 46.11 2d8c n GLY 70 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2d8c h GLN 71 N -2.33 0.00 -0.79 1.61 5.75 -1.74 -3.20 115.11 114.41 2d8c h GLN 71 Ca -0.51 0.00 0.10 0.00 -0.15 0.00 0.00 58.65 58.09 2d8c h GLN 71 Cb 1.33 0.00 -0.11 0.00 1.07 0.00 0.00 27.48 29.77 2d8c h GLN 71 CO 0.50 0.15 -0.38 -2.13 -2.65 0.00 0.00 178.83 174.32 2d8c n ARG 72 N -4.69 -0.26 0.24 1.69 0.63 -1.26 -0.60 116.66 112.41 2d8c n ARG 72 Ca -0.05 1.21 -0.10 0.00 -0.92 0.00 0.00 57.85 57.99 2d8c n ARG 72 Cb 0.17 -1.79 -0.05 0.00 0.45 0.00 0.00 32.46 31.24 2d8c n ARG 72 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2d8c h LEU 73 N 0.00 -0.63 -0.91 6.15 5.85 -1.99 -0.55 115.31 123.23 2d8c h LEU 73 Ca 0.21 0.03 0.35 0.00 0.84 0.00 0.00 57.88 59.31 2d8c h LEU 73 Cb 0.41 0.18 -0.17 0.00 0.37 0.00 0.00 40.66 41.45 2d8c h LEU 73 CO -0.77 -0.40 0.37 0.18 -0.34 0.00 0.00 178.44 177.48 2d8c n LEU 74 N -3.90 0.21 -0.09 2.25 4.77 -0.37 0.18 117.00 120.06 2d8c n LEU 74 Ca -0.08 1.52 -0.14 0.00 -0.03 0.00 0.00 56.01 57.28 2d8c n LEU 74 Cb 0.27 -0.69 -0.05 0.00 -2.33 0.00 0.00 43.42 40.62 2d8c n LEU 74 CO 0.19 -1.66 0.53 -0.78 -1.33 0.00 0.00 177.39 174.34 2d8c h ASP 75 N 0.00 0.78 0.03 -1.43 1.82 -0.54 0.16 116.42 117.23 2d8c h ASP 75 Ca 0.72 -0.49 -0.04 0.00 -0.39 0.00 0.00 57.03 56.82 2d8c h ASP 75 Cb 1.82 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 41.60 2d8c h ASP 75 CO -0.74 1.12 -0.11 0.24 -1.61 0.00 0.00 179.24 178.13 2d8c h MET 76 N 0.46 0.20 0.06 0.28 2.86 0.36 -3.10 114.93 116.05 2d8c h MET 76 Ca 0.04 -0.04 -0.16 0.00 -2.06 0.00 0.00 59.70 57.48 2d8c h MET 76 Cb 0.92 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.55 2d8c h MET 76 CO 0.08 0.32 -0.78 0.82 1.06 0.00 0.00 176.91 178.42 2d8c h ILE 77 N 0.19 1.38 -0.73 -1.22 2.04 -0.62 -3.33 117.51 115.22 2d8c h ILE 77 Ca 0.04 -2.37 0.19 0.00 1.00 0.00 0.00 64.86 63.72 2d8c h ILE 77 Cb 0.33 2.96 -0.14 0.00 -0.74 0.00 0.00 36.82 39.23 2d8c h ILE 77 CO 0.02 0.60 -0.01 1.21 0.00 0.00 0.00 178.15 179.98 2d8c n GLU 78 N -4.29 -0.06 -0.18 2.37 0.00 0.54 0.24 120.64 119.26 2d8c n GLU 78 Ca -0.19 1.10 -0.10 0.00 0.00 0.00 0.00 57.16 57.97 2d8c n GLU 78 Cb 0.70 -1.73 0.01 0.00 0.00 0.00 0.00 31.44 30.42 2d8c n GLU 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2d8c h THR 79 N 0.00 1.26 -0.07 6.31 1.03 -1.70 -2.44 112.91 117.30 2d8c h THR 79 Ca 0.43 -1.07 0.02 0.00 -0.01 0.00 0.00 66.41 65.78 2d8c h THR 79 Cb 0.87 0.95 -0.00 0.00 -1.07 0.00 0.00 68.15 68.90 2d8c h THR 79 CO -0.69 0.38 0.39 -0.07 -0.01 0.00 0.00 175.52 175.51 2d8c h LEU 80 N 0.76 0.00 0.00 0.00 3.38 0.31 -2.25 115.31 117.51 2d8c h LEU 80 Ca 0.14 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 2d8c h LEU 80 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2d8c h LEU 80 CO 0.02 0.00 -0.60 0.11 0.09 0.00 0.00 178.44 178.06 2d8c h LYS 81 N 0.00 0.00 -1.04 1.13 6.56 -1.04 -3.37 116.57 118.81 2d8c h LYS 81 Ca 0.04 0.00 0.40 0.00 -1.06 0.00 0.00 60.65 60.02 2d8c h LYS 81 Cb 0.81 0.00 -0.15 0.00 -0.57 0.00 0.00 32.23 32.32 2d8c h LYS 81 CO -0.00 0.18 0.61 0.00 -2.06 0.00 0.00 179.45 178.18 2d8c n MET 82 N -4.60 -0.04 -0.00 3.15 0.00 -0.88 0.13 117.12 114.88 2d8c n MET 82 Ca -0.11 1.18 -0.10 0.00 0.00 0.00 0.00 57.70 58.67 2d8c n MET 82 Cb 0.32 -2.21 -0.05 0.00 0.00 0.00 0.00 33.22 31.28 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 0.06 -7.20 3.17 5.08 -1.66 -3.43 114.58 110.60 2d8c h GLU 83 Ca 0.77 -0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 58.60 2d8c h GLU 83 Cb 2.23 -0.01 0.16 0.00 0.50 0.00 0.00 28.75 31.63 2d8c h GLU 83 CO -0.57 0.04 0.36 -1.58 -1.00 0.00 0.00 179.01 176.26 2d8c s HIS 84 N -6.19 2.05 0.00 4.33 2.46 0.36 -4.85 115.29 113.45 2d8c s HIS 84 Ca -0.13 1.63 -0.03 0.00 0.47 0.00 0.00 55.06 57.00 2d8c s HIS 84 Cb 0.08 -3.40 -0.13 0.00 -0.13 0.00 0.00 32.58 28.99 2d8c s HIS 84 CO 0.68 -2.53 2.68 0.72 -2.47 0.00 0.00 174.74 173.81 2d8c n HIS 85 N -3.00 0.00 -2.27 3.88 8.25 -1.26 -4.76 115.22 116.06 2d8c n HIS 85 Ca 0.13 -1.17 -0.34 0.00 -0.26 0.00 0.00 57.72 56.08 2d8c n HIS 85 Cb 0.51 -1.03 -0.04 0.00 1.12 0.00 0.00 29.99 30.55 2d8c n HIS 85 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2d8c s MET 86 N 0.68 3.06 -1.31 -0.41 -1.94 -1.26 -4.30 119.30 113.82 2d8c s MET 86 Ca 0.33 -1.16 -0.17 0.00 -1.71 0.00 0.00 55.69 52.98 2d8c s MET 86 Cb 0.16 -5.29 0.17 0.00 2.01 0.00 0.00 34.83 31.87 2d8c s MET 86 CO 0.00 -3.12 0.42 0.39 -0.01 0.00 0.00 175.02 172.69 2d8c n GLU 87 N 8.54 -0.85 -2.88 2.03 1.02 -1.26 -4.86 120.64 122.38 2d8c n GLU 87 Ca 0.43 0.10 -0.23 0.00 -0.02 0.00 0.00 57.16 57.44 2d8c n GLU 87 Cb 0.47 -3.39 0.02 0.00 -0.02 0.00 0.00 31.44 28.52 2d8c n GLU 87 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2d8c s ALA 88 N -2.58 3.76 -0.03 0.62 0.00 -1.26 -5.05 121.76 117.22 2d8c s ALA 88 Ca 0.58 -1.10 -0.04 0.00 0.00 0.00 0.00 51.96 51.41 2d8c s ALA 88 Cb -0.34 -2.15 -0.03 0.00 0.00 0.00 0.00 23.12 20.60 2d8c s ALA 88 CO 0.71 -0.48 -0.09 0.72 0.00 0.00 0.00 175.76 176.62 2d8c n HIS 89 N -2.16 0.00 -3.46 0.00 8.25 -1.26 -5.00 115.22 111.58 2d8c n HIS 89 Ca 0.03 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.11 2d8c n HIS 89 Cb 0.58 -0.21 -0.08 0.00 1.12 0.00 0.00 29.99 31.40 2d8c n HIS 89 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2d8c s LYS 90 N -2.17 4.16 0.07 -0.41 2.36 -1.26 -5.08 119.74 117.40 2d8c s LYS 90 Ca -0.09 0.08 0.04 0.00 -2.55 0.00 0.00 55.97 53.45 2d8c s LYS 90 Cb 0.03 -3.53 -0.04 0.00 -1.05 0.00 0.00 37.83 33.24 2d8c s LYS 90 CO 0.12 0.01 0.01 1.21 1.55 0.00 0.00 175.35 178.25 2d8c s ASN 91 N 0.99 5.11 -0.87 1.43 3.84 -1.26 -5.02 114.94 119.17 2d8c s ASN 91 Ca 0.16 -0.12 -0.22 0.00 0.21 0.00 0.00 52.86 52.89 2d8c s ASN 91 Cb -0.14 -1.27 0.07 0.00 -0.55 0.00 0.00 41.25 39.37 2d8c s ASN 91 CO 0.07 0.20 1.22 -0.55 -2.79 0.00 0.00 177.10 175.25 2d8c s SER 92 N -2.16 6.40 -0.21 -4.21 0.15 -1.26 -4.93 113.70 107.49 2d8c s SER 92 Ca 0.25 -1.34 -0.29 0.00 0.70 0.00 0.00 55.95 55.27 2d8c s SER 92 Cb -0.12 -2.49 0.14 0.00 -1.71 0.00 0.00 66.02 61.84 2d8c s SER 92 CO 0.17 -1.43 1.07 -0.83 1.20 0.00 0.00 173.24 173.42 2d8c s GLY 93 N 4.10 -0.17 0.00 9.45 0.00 -1.26 -5.01 107.32 114.43 2d8c s GLY 93 Ca 0.35 2.34 0.12 0.00 0.00 0.00 0.00 44.72 47.53 2d8c s GLY 93 CO -0.01 1.26 1.16 -1.55 0.00 0.00 0.00 173.10 173.96 2d8c n PRO 94 N 1.08 0.49 -0.26 2.90 -0.04 -1.26 -4.00 135.00 133.90 2d8c n PRO 94 Ca -0.10 0.00 0.20 0.00 -0.04 0.00 0.00 63.50 63.56 2d8c n PRO 94 Cb 0.57 -1.39 0.37 0.00 -0.04 0.00 0.00 33.50 33.01 2d8c n PRO 94 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2d8c n SER 95 N -0.89 0.12 -4.46 3.54 7.64 -1.26 -3.09 113.62 115.22 2d8c n SER 95 Ca 0.09 1.33 -0.43 0.00 1.01 0.00 0.00 58.87 60.87 2d8c n SER 95 Cb 0.04 -0.58 -0.03 0.00 -1.01 0.00 0.00 64.21 62.63 2d8c n SER 95 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2d8c s SER 96 N -4.79 6.41 0.00 6.43 1.04 -1.26 -5.30 113.70 116.24 2d8c s SER 96 Ca -0.09 -1.51 0.04 0.00 0.48 0.00 0.00 55.95 54.87 2d8c s SER 96 Cb 0.25 -2.42 0.03 0.00 0.10 0.00 0.00 66.02 63.98 2d8c s SER 96 CO 0.62 -1.28 0.61 0.61 0.98 0.00 0.00 173.24 174.79