#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 5.48 0.03 1.61 0.01 -1.26 -4.94 113.70 114.64 2d8c s SER 2 Ca 0.00 0.11 -0.04 0.00 1.31 0.00 0.00 55.95 57.34 2d8c s SER 2 Cb 0.00 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.68 2d8c s SER 2 CO 0.00 -2.26 0.05 -0.94 0.41 0.00 0.00 173.24 170.51 2d8c s SER 3 N 7.06 0.21 0.92 2.44 1.04 -1.26 -5.17 113.70 118.94 2d8c s SER 3 Ca 0.59 -0.54 -0.09 0.00 0.48 0.00 0.00 55.95 56.39 2d8c s SER 3 Cb -0.11 0.19 0.13 0.00 0.10 0.00 0.00 66.02 66.33 2d8c s SER 3 CO 0.19 -0.45 0.82 0.61 0.98 0.00 0.00 173.24 175.38 2d8c n GLY 4 N 0.98 -0.96 2.28 7.32 0.00 -1.26 -5.00 105.19 108.55 2d8c n GLY 4 Ca -0.20 -1.76 -0.31 0.00 0.00 0.00 0.00 46.02 43.76 2d8c n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d8c n SER 5 N -3.43 6.42 -4.39 1.61 3.41 -1.26 -5.02 113.62 110.96 2d8c n SER 5 Ca 0.11 -3.77 -0.52 0.00 -0.26 0.00 0.00 58.87 54.42 2d8c n SER 5 Cb 0.37 -0.71 -0.09 0.00 -0.26 0.00 0.00 64.21 63.53 2d8c n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2d8c n SER 6 N -0.77 1.54 0.00 4.04 3.41 -1.26 -4.73 113.62 115.85 2d8c n SER 6 Ca 0.53 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.57 2d8c n SER 6 Cb 0.74 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 2d8c n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d8c n GLY 7 N 6.82 4.58 3.46 5.00 0.00 -1.26 -5.08 105.19 118.71 2d8c n GLY 7 Ca 0.48 -0.83 -0.44 0.00 0.00 0.00 0.00 46.02 45.23 2d8c n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2d8c s MET 8 N -3.66 3.16 -0.26 1.61 1.00 -1.26 -4.87 119.30 115.01 2d8c s MET 8 Ca 0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 55.69 54.76 2d8c s MET 8 Cb 0.00 -4.12 -0.14 0.00 0.00 0.00 0.00 34.83 30.57 2d8c s MET 8 CO 0.00 -1.36 -0.22 1.28 0.00 0.00 0.00 175.02 174.73 2d8c n LEU 9 N 6.59 2.04 -0.34 -0.03 7.99 -1.26 -4.51 117.00 127.48 2d8c n LEU 9 Ca -0.05 0.31 -0.00 0.00 -0.01 0.00 0.00 56.01 56.26 2d8c n LEU 9 Cb 0.45 -0.86 0.06 0.00 -0.11 0.00 0.00 43.42 42.96 2d8c n LEU 9 CO 0.57 0.56 0.61 0.77 -1.51 0.00 0.00 177.39 178.39 2d8c h SER 10 N -0.89 -1.26 -3.34 -1.43 4.64 -2.03 -3.16 113.55 106.09 2d8c h SER 10 Ca -0.62 0.29 -0.76 0.00 -0.47 0.00 0.00 61.79 60.23 2d8c h SER 10 Cb 1.59 0.69 -0.24 0.00 -0.31 0.00 0.00 62.40 64.13 2d8c h SER 10 CO -0.34 -0.30 0.09 0.00 -0.87 0.00 0.00 176.83 175.41 2d8c s ALA 11 N -6.03 3.79 -0.16 5.18 0.00 -1.26 -4.80 121.76 118.48 2d8c s ALA 11 Ca -0.14 -2.89 0.01 0.00 0.00 0.00 0.00 51.96 48.94 2d8c s ALA 11 Cb 0.21 -3.51 -0.10 0.00 0.00 0.00 0.00 23.12 19.72 2d8c s ALA 11 CO 0.72 -2.29 -0.15 -2.13 0.00 0.00 0.00 175.76 171.92 2d8c n ARG 12 N 4.94 0.40 -3.58 0.00 0.63 -1.20 -4.94 116.66 112.91 2d8c n ARG 12 Ca 0.04 0.10 -0.11 0.00 -0.92 0.00 0.00 57.85 56.96 2d8c n ARG 12 Cb 0.45 -1.30 -0.03 0.00 0.45 0.00 0.00 32.46 32.02 2d8c n ARG 12 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 2d8c s THR 13 N -2.32 0.02 -0.01 5.15 -1.32 -1.26 -5.05 115.64 110.84 2d8c s THR 13 Ca -0.22 -0.38 0.01 0.00 -1.21 0.00 0.00 61.69 59.90 2d8c s THR 13 Cb 0.06 -1.28 0.02 0.00 -1.51 0.00 0.00 72.50 69.79 2d8c s THR 13 CO 0.36 -0.07 0.78 1.15 -2.21 0.00 0.00 174.62 174.63 2d8c n MET 14 N -0.36 1.17 -0.07 7.08 0.00 -1.26 -4.68 117.12 119.00 2d8c n MET 14 Ca -0.14 -1.06 0.02 0.00 0.00 0.00 0.00 57.70 56.52 2d8c n MET 14 Cb 0.63 -0.75 0.33 0.00 0.00 0.00 0.00 33.22 33.44 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 0.00 0.69 0.00 3.17 1.57 -1.90 -3.33 116.57 116.76 2d8c h LYS 15 Ca 0.00 -0.06 -0.25 0.00 -1.87 0.00 0.00 60.65 58.47 2d8c h LYS 15 Cb 0.86 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.99 2d8c h LYS 15 CO 0.00 0.51 -1.76 -0.85 -0.57 0.00 0.00 179.45 176.78 2d8c n GLU 16 N -4.41 0.48 -1.78 3.15 0.28 -1.26 -3.15 120.64 113.94 2d8c n GLU 16 Ca 0.04 0.20 -0.02 0.00 -0.16 0.00 0.00 57.16 57.23 2d8c n GLU 16 Cb 0.09 -1.31 -0.00 0.00 1.43 0.00 0.00 31.44 31.65 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 -4.14 -0.04 -0.02 3.84 3.14 -1.25 -4.58 118.33 115.28 2d8c n VAL 17 Ca -0.33 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.03 2d8c n VAL 17 Cb 0.68 -0.18 -0.02 0.00 -1.06 0.00 0.00 33.84 33.26 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 -1.87 0.18 1.58 1.55 0.24 -1.26 -2.79 118.33 115.97 2d8c n VAL 18 Ca -0.02 -0.07 0.11 0.00 -2.04 0.00 0.00 64.34 62.32 2d8c n VAL 18 Cb 0.29 -0.65 0.49 0.00 -1.47 0.00 0.00 33.84 32.50 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 -2.54 0.10 -0.54 6.34 4.01 -1.26 -1.26 117.16 122.00 2d8c n TYR 19 Ca -0.06 -0.05 -0.24 0.00 -0.16 0.00 0.00 57.90 57.39 2d8c n TYR 19 Cb 0.56 0.00 0.17 0.00 -0.31 0.00 0.00 39.34 39.77 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 -2.20 -3.67 -0.72 7.02 -1.26 -4.92 117.44 111.52 2d8c n TRP 20 Ca 0.16 -0.06 -0.21 0.00 -1.02 0.00 0.00 57.50 56.37 2d8c n TRP 20 Cb 0.22 -1.44 -0.03 0.00 -2.42 0.00 0.00 31.31 27.64 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 -2.06 5.18 0.24 -0.99 1.04 -1.26 -4.33 113.70 111.51 2d8c s SER 21 Ca 0.47 -0.62 0.23 0.00 0.48 0.00 0.00 55.95 56.50 2d8c s SER 21 Cb -0.09 -0.76 0.95 0.00 0.10 0.00 0.00 66.02 66.22 2d8c s SER 21 CO 0.47 -0.51 1.69 -0.81 0.98 0.00 0.00 173.24 175.06 2d8c n PRO 22 N -1.47 0.18 0.00 4.02 -0.04 -1.26 -2.38 135.00 134.05 2d8c n PRO 22 Ca 0.01 0.41 0.06 0.00 -0.04 0.00 0.00 63.50 63.94 2d8c n PRO 22 Cb 0.61 -1.84 -0.12 0.00 -0.04 0.00 0.00 33.50 32.10 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 -2.17 0.65 -0.05 0.54 4.76 -1.26 -4.40 118.16 116.23 2d8c n LYS 23 Ca 0.02 -0.04 -0.08 0.00 -2.87 0.00 0.00 58.31 55.34 2d8c n LYS 23 Cb 0.22 -1.62 -0.07 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 -0.02 -1.15 1.97 1.63 -1.83 -3.27 116.57 113.89 2d8c h LYS 24 Ca -0.12 0.00 0.43 0.00 -0.85 0.00 0.00 60.65 60.11 2d8c h LYS 24 Cb 1.31 0.01 -0.15 0.00 -0.60 0.00 0.00 32.23 32.79 2d8c h LYS 24 CO 0.01 0.51 0.69 0.28 -3.45 0.00 0.00 179.45 177.49 2d8c n VAL 25 N -4.71 -0.32 0.36 2.00 0.31 -1.02 -0.30 118.33 114.64 2d8c n VAL 25 Ca -0.06 1.84 -0.15 0.00 -0.01 0.00 0.00 64.34 65.96 2d8c n VAL 25 Cb 0.26 -3.00 -0.07 0.00 -0.91 0.00 0.00 33.84 30.13 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 1.71 -0.94 -1.26 3.52 0.00 -1.77 -2.99 119.26 117.53 2d8c h ALA 26 Ca 0.83 -0.21 0.40 0.00 0.00 0.00 0.00 54.91 55.93 2d8c h ALA 26 Cb 2.45 0.36 -0.12 0.00 0.00 0.00 0.00 17.79 20.49 2d8c h ALA 26 CO -0.59 -0.88 0.81 -0.44 0.00 0.00 0.00 179.25 178.16 2d8c h ASP 27 N -1.25 0.28 -0.25 0.00 5.19 -0.71 1.28 116.42 120.97 2d8c h ASP 27 Ca -0.10 0.12 -0.08 0.00 -0.62 0.00 0.00 57.03 56.36 2d8c h ASP 27 Cb 0.73 0.10 -0.02 0.00 0.18 0.00 0.00 39.33 40.32 2d8c h ASP 27 CO 0.16 -0.12 -0.10 -0.25 -3.12 0.00 0.00 179.24 175.81 2d8c h TRP 28 N 0.15 0.69 0.50 4.55 7.01 -1.30 -1.44 115.95 126.11 2d8c h TRP 28 Ca 0.77 -0.11 -0.02 0.00 2.11 0.00 0.00 58.89 61.63 2d8c h TRP 28 Cb 2.34 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 29.22 2d8c h TRP 28 CO -0.00 0.72 -0.24 -0.07 -2.79 0.00 0.00 178.44 176.05 2d8c h LEU 29 N 0.59 -0.57 -1.80 0.65 3.38 0.18 -3.15 115.31 114.59 2d8c h LEU 29 Ca 0.11 0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.26 2d8c h LEU 29 Cb 0.52 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 2d8c h LEU 29 CO 0.03 -0.28 0.47 -0.07 0.09 0.00 0.00 178.44 178.69 2d8c h LEU 30 N -0.93 0.18 -2.26 1.67 -0.00 -1.50 0.25 115.31 112.72 2d8c h LEU 30 Ca -0.07 0.01 0.04 0.00 -0.00 0.00 0.00 57.88 57.86 2d8c h LEU 30 Cb 0.51 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.14 2d8c h LEU 30 CO 0.11 0.09 0.13 -0.08 -0.00 0.00 0.00 178.44 178.70 2d8c h GLU 31 N 0.19 0.00 -0.15 1.13 4.57 -1.21 -0.28 114.58 118.84 2d8c h GLU 31 Ca 0.33 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.51 2d8c h GLU 31 Cb 1.03 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 2d8c h GLU 31 CO -0.06 0.00 0.00 0.09 -1.18 0.00 0.00 179.01 177.86 2d8c n ASN 32 N -3.93 2.75 -2.29 1.04 3.02 0.68 -4.98 115.26 111.55 2d8c n ASN 32 Ca 0.00 -2.50 -0.09 0.00 -0.03 0.00 0.00 54.58 51.97 2d8c n ASN 32 Cb 0.25 -0.29 0.05 0.00 -0.61 0.00 0.00 39.78 39.18 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 -0.47 -1.08 -2.50 5.41 0.00 -0.11 -4.98 120.51 116.77 2d8c n ALA 33 Ca 0.12 -0.03 -0.20 0.00 0.00 0.00 0.00 53.44 53.32 2d8c n ALA 33 Cb 0.54 -1.55 0.01 0.00 0.00 0.00 0.00 19.45 18.45 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 -2.66 2.72 0.00 0.00 2.81 -0.12 -4.83 117.12 115.04 2d8c n MET 34 Ca -0.15 -4.07 0.07 0.00 -1.81 0.00 0.00 57.70 51.74 2d8c n MET 34 Cb 0.59 -1.94 0.34 0.00 -0.71 0.00 0.00 33.22 31.50 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 -0.39 0.11 0.15 0.03 -0.04 -1.26 -2.38 135.00 131.22 2d8c n PRO 35 Ca 0.29 0.20 0.03 0.00 -0.04 0.00 0.00 63.50 63.99 2d8c n PRO 35 Cb 0.75 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.79 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 -3.16 114.58 119.11 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 0.46 -0.74 0.66 0.05 0.00 0.00 179.01 179.45 2d8c n TYR 37 N -3.26 0.04 -0.17 2.06 4.01 -1.00 -4.15 117.16 114.68 2d8c n TYR 37 Ca 0.02 0.01 0.03 0.00 -0.16 0.00 0.00 57.90 57.80 2d8c n TYR 37 Cb 0.69 -0.19 0.31 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 0.86 -1.27 0.00 0.00 5.08 -1.75 1.50 114.58 119.00 2d8c h GLU 39 Ca 0.27 0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2d8c h GLU 39 Cb 0.02 0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2d8c h GLU 39 CO -0.07 -0.85 0.00 -1.00 -1.00 0.00 0.00 179.01 176.09 2d8c h PRO 40 N -1.36 0.00 -0.20 2.33 0.13 -1.77 -2.51 132.00 128.63 2d8c h PRO 40 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2d8c h PRO 40 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2d8c h PRO 40 CO 0.22 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.27 2d8c n LEU 41 N -2.75 2.65 -0.27 1.56 4.77 0.96 -4.59 117.00 119.33 2d8c n LEU 41 Ca 0.01 -1.40 0.08 0.00 -0.03 0.00 0.00 56.01 54.67 2d8c n LEU 41 Cb 0.27 -0.12 0.22 0.00 -2.33 0.00 0.00 43.42 41.45 2d8c n LEU 41 CO 0.24 0.57 0.98 1.05 -1.33 0.00 0.00 177.39 178.90 2d8c h GLU 42 N 2.87 0.33 -0.58 3.23 4.11 0.26 0.85 114.58 125.64 2d8c h GLU 42 Ca 0.00 -0.02 -0.28 0.00 0.07 0.00 0.00 59.36 59.13 2d8c h GLU 42 Cb 0.70 -0.08 -0.17 0.00 0.50 0.00 0.00 28.75 29.71 2d8c h GLU 42 CO 0.00 0.22 0.18 -2.39 0.07 0.00 0.00 179.01 177.10 2d8c n HIS 43 N -5.09 1.81 -3.75 2.06 1.44 -1.26 -4.69 115.22 105.74 2d8c n HIS 43 Ca 0.17 -1.62 -0.32 0.00 -2.01 0.00 0.00 57.72 53.93 2d8c n HIS 43 Cb 0.51 -0.65 -0.05 0.00 0.12 0.00 0.00 29.99 29.93 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 -3.23 3.51 0.07 -1.40 0.40 0.29 -4.97 117.98 112.65 2d8c s PHE 44 Ca 0.49 0.49 0.07 0.00 -0.60 0.00 0.00 56.93 57.38 2d8c s PHE 44 Cb 0.43 -1.95 -0.04 0.00 0.51 0.00 0.00 43.02 41.98 2d8c s PHE 44 CO 0.05 0.51 -0.14 0.95 0.70 0.00 0.00 175.22 177.29 2d8c s THR 45 N -1.54 3.06 0.31 0.64 -4.23 -1.26 -4.14 115.64 108.49 2d8c s THR 45 Ca 0.36 -1.23 0.23 0.00 -1.18 0.00 0.00 61.69 59.88 2d8c s THR 45 Cb -0.13 -2.36 0.36 0.00 1.34 0.00 0.00 72.50 71.71 2d8c s THR 45 CO 0.23 0.23 1.12 0.61 -0.54 0.00 0.00 174.62 176.28 2d8c n GLY 46 N 1.16 -0.60 0.09 3.99 0.00 -1.26 0.19 105.19 108.76 2d8c n GLY 46 Ca -0.15 0.55 -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 0.15 -0.44 1.61 5.75 -1.00 -2.64 115.11 118.53 2d8c h GLN 47 Ca 0.63 -0.08 -0.13 0.00 -0.15 0.00 0.00 58.65 58.93 2d8c h GLN 47 Cb 2.02 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 30.56 2d8c h GLN 47 CO -0.34 0.60 -0.22 -0.44 -2.65 0.00 0.00 178.83 175.77 2d8c h ASP 48 N -0.30 0.92 -0.07 -0.69 5.19 0.18 -2.55 116.42 119.10 2d8c h ASP 48 Ca 0.01 -0.34 0.03 0.00 -0.62 0.00 0.00 57.03 56.10 2d8c h ASP 48 Cb 0.57 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 39.80 2d8c h ASP 48 CO 0.02 1.10 -0.10 0.25 -3.12 0.00 0.00 179.24 177.39 2d8c h LEU 49 N 0.78 -0.29 -1.95 1.55 6.46 -0.62 -0.97 115.31 120.26 2d8c h LEU 49 Ca 0.10 0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.91 2d8c h LEU 49 Cb 0.77 0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 40.84 2d8c h LEU 49 CO 0.06 -0.13 -0.03 0.16 -0.62 0.00 0.00 178.44 177.88 2d8c h ILE 50 N -0.13 0.10 -0.06 4.05 3.07 -1.44 -1.97 117.51 121.13 2d8c h ILE 50 Ca 0.06 -0.40 0.00 0.00 1.55 0.00 0.00 64.86 66.07 2d8c h ILE 50 Cb 0.22 1.36 0.00 0.00 -0.27 0.00 0.00 36.82 38.13 2d8c h ILE 50 CO -0.15 0.03 0.00 0.59 -1.05 0.00 0.00 178.15 177.57 2d8c n ASN 51 N -3.18 0.64 -4.74 2.16 3.02 -0.38 -4.83 115.26 107.96 2d8c n ASN 51 Ca -0.01 -2.02 -0.39 0.00 -0.03 0.00 0.00 54.58 52.13 2d8c n ASN 51 Cb 0.24 -0.18 -0.05 0.00 -0.61 0.00 0.00 39.78 39.17 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 -0.77 4.40 0.26 3.41 1.43 -0.74 -5.02 118.68 121.64 2d8c s LEU 52 Ca 0.04 1.27 0.01 0.00 -1.03 0.00 0.00 54.13 54.43 2d8c s LEU 52 Cb 0.02 -3.08 -0.05 0.00 0.03 0.00 0.00 46.19 43.12 2d8c s LEU 52 CO 0.02 0.01 0.12 0.42 0.23 0.00 0.00 176.35 177.15 2d8c s THR 53 N 0.13 0.40 0.50 5.49 -4.23 -1.26 -5.00 115.64 111.67 2d8c s THR 53 Ca 0.36 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.08 2d8c s THR 53 Cb -0.19 -2.58 0.38 0.00 1.34 0.00 0.00 72.50 71.44 2d8c s THR 53 CO 0.20 0.00 1.99 -0.61 -0.54 0.00 0.00 174.62 175.66 2d8c h GLN 54 N 2.39 0.11 0.00 3.99 4.15 -1.96 0.36 115.11 124.15 2d8c h GLN 54 Ca -0.37 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.04 2d8c h GLN 54 Cb 1.25 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.91 2d8c h GLN 54 CO 0.57 0.07 -0.03 1.05 -1.93 0.00 0.00 178.83 178.57 2d8c h GLU 55 N 0.12 0.00 0.00 1.69 4.11 -2.00 -2.40 114.58 116.10 2d8c h GLU 55 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.69 2d8c h GLU 55 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2d8c h GLU 55 CO -0.03 0.03 -0.10 -0.25 0.07 0.00 0.00 179.01 178.73 2d8c n ASP 56 N -3.13 0.54 -0.04 3.06 9.92 0.13 -3.79 116.55 123.23 2d8c n ASP 56 Ca 0.01 0.46 -0.20 0.00 -0.53 0.00 0.00 54.79 54.52 2d8c n ASP 56 Cb 0.34 -0.54 -0.13 0.00 -0.64 0.00 0.00 41.12 40.15 2d8c n ASP 56 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 2d8c h PHE 57 N 0.00 0.22 0.00 1.24 -1.00 -1.37 -3.33 116.94 112.70 2d8c h PHE 57 Ca 0.00 -0.16 0.00 0.00 2.81 0.00 0.00 57.97 60.62 2d8c h PHE 57 Cb 0.65 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.20 2d8c h PHE 57 CO 0.00 1.46 0.27 1.57 -1.61 0.00 0.00 178.31 180.00 2d8c h LYS 58 N -0.64 0.00 -5.06 1.51 2.10 -1.64 -3.32 116.57 109.51 2d8c h LYS 58 Ca -0.28 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.03 2d8c h LYS 58 Cb 1.50 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 32.68 2d8c h LYS 58 CO -0.05 0.00 -0.70 -1.59 -2.00 0.00 0.00 179.45 175.12 2d8c s LYS 59 N -3.47 1.14 0.85 0.07 -2.85 -1.25 -5.01 119.74 109.22 2d8c s LYS 59 Ca -0.02 -1.52 -0.11 0.00 -1.00 0.00 0.00 55.97 53.32 2d8c s LYS 59 Cb 0.05 -0.61 0.10 0.00 -2.06 0.00 0.00 37.83 35.31 2d8c s LYS 59 CO 0.15 0.02 1.09 -1.25 0.10 0.00 0.00 175.35 175.46 2d8c s PRO 60 N -3.79 1.66 0.13 1.78 0.04 -1.26 -3.59 135.00 129.98 2d8c s PRO 60 Ca 0.20 0.97 -0.12 0.00 0.04 0.00 0.00 61.00 62.09 2d8c s PRO 60 Cb 0.04 -1.84 -0.05 0.00 0.04 0.00 0.00 34.50 32.68 2d8c s PRO 60 CO 0.03 -2.00 1.46 -1.00 0.04 0.00 0.00 177.00 175.53 2d8c h PRO 61 N -1.38 0.89 -5.62 0.56 0.13 -1.95 -3.48 132.00 121.14 2d8c h PRO 61 Ca -0.47 -0.47 -0.47 0.00 -0.87 0.00 0.00 66.00 63.72 2d8c h PRO 61 Cb 1.26 0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.41 2d8c h PRO 61 CO 0.53 1.11 1.63 1.28 -0.23 0.00 0.00 178.00 182.33 2d8c n LEU 62 N -4.11 2.33 -3.67 1.56 4.77 -1.24 -4.89 117.00 111.76 2d8c n LEU 62 Ca -0.03 -0.44 -0.09 0.00 -0.03 0.00 0.00 56.01 55.43 2d8c n LEU 62 Cb 0.53 -1.57 -0.10 0.00 -2.33 0.00 0.00 43.42 39.95 2d8c n LEU 62 CO 0.48 -1.49 0.04 -0.47 -1.33 0.00 0.00 177.39 174.62 2d8c s TYR 63 N 11.86 -0.74 -1.36 -1.77 5.04 -1.25 -3.89 117.35 125.24 2d8c s TYR 63 Ca 0.99 1.46 0.00 0.00 -2.44 0.00 0.00 57.07 57.08 2d8c s TYR 63 Cb -0.22 0.30 0.00 0.00 0.35 0.00 0.00 41.96 42.39 2d8c s TYR 63 CO 0.28 -0.43 0.00 0.54 -1.34 0.00 0.00 175.55 174.59 2d8c n ARG 64 N 4.96 -1.84 0.01 4.97 5.12 -1.26 -4.83 116.66 123.79 2d8c n ARG 64 Ca -0.14 0.76 -0.04 0.00 -1.93 0.00 0.00 57.85 56.50 2d8c n ARG 64 Cb 0.52 -5.28 0.18 0.00 -1.16 0.00 0.00 32.46 26.72 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 0.00 1.28 -4.06 1.55 2.07 -1.93 -3.44 116.25 111.72 2d8c h VAL 65 Ca -0.34 -1.34 -0.45 0.00 0.82 0.00 0.00 66.70 65.39 2d8c h VAL 65 Cb 1.17 1.41 -0.25 0.00 -1.52 0.00 0.00 31.29 32.09 2d8c h VAL 65 CO 0.42 0.42 -0.80 -0.55 0.02 0.00 0.00 177.57 177.09 2d8c s SER 66 N -6.82 1.67 0.00 0.57 0.15 -1.26 -4.96 113.70 103.05 2d8c s SER 66 Ca -0.07 -0.43 0.14 0.00 0.70 0.00 0.00 55.95 56.29 2d8c s SER 66 Cb 0.13 -0.12 0.77 0.00 -1.71 0.00 0.00 66.02 65.10 2d8c s SER 66 CO 0.80 0.05 1.36 -0.24 1.20 0.00 0.00 173.24 176.41 2d8c n SER 67 N 2.00 0.00 -2.11 5.45 2.88 -1.26 -2.36 113.62 118.21 2d8c n SER 67 Ca -0.18 -0.08 -0.19 0.00 -1.33 0.00 0.00 58.87 57.09 2d8c n SER 67 Cb 0.55 -0.20 0.20 0.00 -0.75 0.00 0.00 64.21 64.01 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 -1.20 3.84 -2.75 -3.46 8.00 -1.26 -4.89 116.55 114.83 2d8c n ASP 68 Ca 0.08 -3.56 -0.17 0.00 0.71 0.00 0.00 54.79 51.85 2d8c n ASP 68 Cb 0.09 -0.81 -0.00 0.00 -0.02 0.00 0.00 41.12 40.38 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 -0.98 -4.24 -1.87 -2.24 4.13 -1.00 -0.65 115.26 108.41 2d8c n ASN 69 Ca 0.55 -0.03 -0.12 0.00 1.68 0.00 0.00 54.58 56.66 2d8c n ASN 69 Cb 1.58 -3.55 0.03 0.00 -1.54 0.00 0.00 39.78 36.30 2d8c n ASN 69 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2d8c n GLY 70 N -1.00 0.08 0.13 7.41 0.00 -1.25 -4.95 105.19 105.61 2d8c n GLY 70 Ca -0.11 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.99 0.23 -0.35 1.61 5.75 -1.23 -3.18 115.11 116.94 2d8c h GLN 71 Ca -0.29 -0.39 0.08 0.00 -0.15 0.00 0.00 58.65 57.90 2d8c h GLN 71 Cb 1.20 0.14 -0.08 0.00 1.07 0.00 0.00 27.48 29.81 2d8c h GLN 71 CO 0.30 1.19 -0.19 -0.09 -2.65 0.00 0.00 178.83 177.38 2d8c h ARG 72 N -0.28 -0.13 0.66 1.69 2.43 -1.93 0.24 114.38 117.06 2d8c h ARG 72 Ca -0.34 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 58.81 2d8c h ARG 72 Cb 1.78 0.03 0.01 0.00 -0.42 0.00 0.00 29.97 31.37 2d8c h ARG 72 CO 0.04 -0.09 -0.32 1.25 -1.51 0.00 0.00 179.97 179.34 2d8c h LEU 73 N -0.14 -0.75 -0.95 3.80 5.85 -1.97 -1.48 115.31 119.67 2d8c h LEU 73 Ca 0.18 -0.01 0.29 0.00 0.84 0.00 0.00 57.88 59.17 2d8c h LEU 73 Cb 0.41 0.19 -0.15 0.00 0.37 0.00 0.00 40.66 41.49 2d8c h LEU 73 CO -0.44 -0.43 0.37 -0.07 -0.34 0.00 0.00 178.44 177.53 2d8c h LEU 74 N -1.07 0.18 -0.32 2.25 3.38 -1.47 0.47 115.31 118.72 2d8c h LEU 74 Ca -0.09 0.21 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 2d8c h LEU 74 Cb 0.72 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 2d8c h LEU 74 CO 0.15 -0.19 -0.12 -0.78 0.09 0.00 0.00 178.44 177.59 2d8c h ASP 75 N 0.21 0.65 -0.62 -0.43 1.82 -0.83 0.30 116.42 117.54 2d8c h ASP 75 Ca 0.65 -0.39 -0.03 0.00 -0.39 0.00 0.00 57.03 56.87 2d8c h ASP 75 Cb 1.44 -0.18 -0.03 0.00 0.68 0.00 0.00 39.33 41.24 2d8c h ASP 75 CO -0.67 0.90 0.28 0.24 -1.61 0.00 0.00 179.24 178.37 2d8c h MET 76 N 0.41 0.94 0.13 0.28 2.86 0.85 -2.98 114.93 117.42 2d8c h MET 76 Ca 0.08 -0.14 -0.25 0.00 -2.06 0.00 0.00 59.70 57.33 2d8c h MET 76 Cb 0.63 -0.17 0.03 0.00 0.06 0.00 0.00 31.60 32.15 2d8c h MET 76 CO 0.04 0.75 -1.05 0.82 1.06 0.00 0.00 176.91 178.53 2d8c h ILE 77 N 0.93 1.38 -1.27 -1.22 2.04 -0.47 -3.29 117.51 115.61 2d8c h ILE 77 Ca 0.22 -2.47 0.46 0.00 1.00 0.00 0.00 64.86 64.07 2d8c h ILE 77 Cb 0.15 2.91 -0.15 0.00 -0.74 0.00 0.00 36.82 38.99 2d8c h ILE 77 CO -0.02 0.73 0.78 -0.08 0.00 0.00 0.00 178.15 179.56 2d8c h GLU 78 N -0.02 0.01 -0.08 2.37 4.81 -0.23 1.88 114.58 123.32 2d8c h GLU 78 Ca -0.17 -0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.88 2d8c h GLU 78 Cb 1.78 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.15 2d8c h GLU 78 CO 0.20 0.01 -0.72 0.00 -0.73 0.00 0.00 179.01 177.77 2d8c h THR 79 N 0.01 1.37 -0.01 0.32 1.03 -1.62 -2.40 112.91 111.62 2d8c h THR 79 Ca 0.87 -2.12 0.00 0.00 -0.01 0.00 0.00 66.41 65.15 2d8c h THR 79 Cb 2.64 2.10 -0.00 0.00 -1.07 0.00 0.00 68.15 71.82 2d8c h THR 79 CO -0.55 0.64 0.01 -0.07 -0.01 0.00 0.00 175.52 175.53 2d8c h LEU 80 N 0.28 0.00 0.00 0.00 3.38 0.28 -1.13 115.31 118.13 2d8c h LEU 80 Ca -0.03 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 2d8c h LEU 80 Cb 1.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 2d8c h LEU 80 CO 0.12 0.00 -0.63 0.11 0.09 0.00 0.00 178.44 178.14 2d8c h LYS 81 N 0.00 0.00 -0.88 1.13 6.56 -1.35 -3.06 116.57 118.97 2d8c h LYS 81 Ca 0.00 0.00 0.22 0.00 -1.06 0.00 0.00 60.65 59.81 2d8c h LYS 81 Cb 0.02 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 31.62 2d8c h LYS 81 CO -0.00 0.70 0.60 0.00 -2.06 0.00 0.00 179.45 178.69 2d8c h MET 82 N -1.00 0.24 0.00 3.15 -0.00 -1.28 0.76 114.93 116.80 2d8c h MET 82 Ca -0.15 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.54 2d8c h MET 82 Cb 0.92 -0.05 0.00 0.00 -0.00 0.00 0.00 31.60 32.47 2d8c h MET 82 CO -0.09 0.16 -0.38 0.39 -0.00 0.00 0.00 176.91 176.99 2d8c n GLU 83 N -4.43 0.20 -3.28 -0.10 1.02 -0.44 -4.87 120.64 108.74 2d8c n GLU 83 Ca 0.19 0.09 -0.29 0.00 -0.02 0.00 0.00 57.16 57.13 2d8c n GLU 83 Cb 0.78 -1.66 -0.03 0.00 -0.02 0.00 0.00 31.44 30.51 2d8c n GLU 83 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2d8c s HIS 84 N -3.10 3.47 -1.02 -0.32 2.46 0.27 -4.52 115.29 112.52 2d8c s HIS 84 Ca 0.09 0.71 -0.26 0.00 0.47 0.00 0.00 55.06 56.08 2d8c s HIS 84 Cb 0.14 -2.16 -0.20 0.00 -0.13 0.00 0.00 32.58 30.24 2d8c s HIS 84 CO 0.66 0.14 2.01 0.72 -2.47 0.00 0.00 174.74 175.81 2d8c n HIS 85 N -0.92 1.50 -3.96 3.88 8.25 -1.19 -4.87 115.22 117.92 2d8c n HIS 85 Ca -0.01 -0.71 -0.23 0.00 -0.26 0.00 0.00 57.72 56.51 2d8c n HIS 85 Cb 0.54 -2.43 -0.06 0.00 1.12 0.00 0.00 29.99 29.15 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 7.56 2.34 -0.10 -0.41 -1.94 -1.26 -5.06 119.30 120.43 2d8c s MET 86 Ca 0.75 -1.70 0.08 0.00 -1.71 0.00 0.00 55.69 53.11 2d8c s MET 86 Cb -0.01 -2.13 -0.12 0.00 2.01 0.00 0.00 34.83 34.58 2d8c s MET 86 CO 0.18 -0.10 0.02 -1.91 -0.01 0.00 0.00 175.02 173.20 2d8c n GLU 87 N -1.31 2.09 -2.13 2.03 2.13 -1.26 -5.01 120.64 117.18 2d8c n GLU 87 Ca -0.00 0.01 -0.39 0.00 0.66 0.00 0.00 57.16 57.44 2d8c n GLU 87 Cb 0.63 -1.26 -0.01 0.00 0.27 0.00 0.00 31.44 31.08 2d8c n GLU 87 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2d8c s ALA 88 N -2.25 3.13 -0.15 4.31 0.00 -1.26 -5.03 121.76 120.52 2d8c s ALA 88 Ca -0.07 1.11 0.02 0.00 0.00 0.00 0.00 51.96 53.03 2d8c s ALA 88 Cb 0.03 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.72 2d8c s ALA 88 CO 0.40 -0.76 -0.21 -3.38 0.00 0.00 0.00 175.76 171.80 2d8c s HIS 89 N -1.36 2.70 -0.14 0.00 -3.43 -1.26 -4.98 115.29 106.82 2d8c s HIS 89 Ca 0.60 -1.40 0.09 0.00 -0.80 0.00 0.00 55.06 53.54 2d8c s HIS 89 Cb -0.34 -1.84 -0.14 0.00 -1.43 0.00 0.00 32.58 28.82 2d8c s HIS 89 CO 0.43 -0.65 -0.01 1.63 -2.00 0.00 0.00 174.74 174.15 2d8c n LYS 90 N 4.18 1.52 -0.11 -0.38 4.76 -1.26 -4.74 118.16 122.14 2d8c n LYS 90 Ca -0.20 0.02 -0.23 0.00 -2.87 0.00 0.00 58.31 55.03 2d8c n LYS 90 Cb 0.51 -1.33 -0.11 0.00 -1.84 0.00 0.00 35.03 32.27 2d8c n LYS 90 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2d8c n ASN 91 N -2.60 1.88 -3.64 4.39 2.85 -1.26 -5.04 115.26 111.84 2d8c n ASN 91 Ca -0.23 0.41 -0.08 0.00 -0.11 0.00 0.00 54.58 54.57 2d8c n ASN 91 Cb 0.89 -0.92 -0.07 0.00 1.24 0.00 0.00 39.78 40.92 2d8c n ASN 91 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2d8c s SER 92 N -6.98 -0.43 -0.38 1.20 1.04 -1.26 -5.14 113.70 101.76 2d8c s SER 92 Ca -0.31 0.81 0.05 0.00 0.48 0.00 0.00 55.95 56.98 2d8c s SER 92 Cb 0.08 0.85 0.18 0.00 0.10 0.00 0.00 66.02 67.23 2d8c s SER 92 CO 0.55 -0.14 0.69 -0.83 0.98 0.00 0.00 173.24 174.50 2d8c s GLY 93 N 0.31 -1.30 -0.91 7.32 0.00 -1.26 -4.88 107.32 106.59 2d8c s GLY 93 Ca 0.02 0.53 -0.24 0.00 0.00 0.00 0.00 44.72 45.03 2d8c s GLY 93 CO -0.08 3.77 1.95 2.56 0.00 0.00 0.00 173.10 181.30 2d8c s PRO 94 N 2.03 2.55 0.35 2.90 0.04 -1.26 -4.87 135.00 136.74 2d8c s PRO 94 Ca 0.15 -0.33 -0.06 0.00 0.04 0.00 0.00 61.00 60.81 2d8c s PRO 94 Cb -0.04 -5.07 0.02 0.00 0.04 0.00 0.00 34.50 29.46 2d8c s PRO 94 CO -0.11 -3.41 0.55 -1.13 0.04 0.00 0.00 177.00 172.94 2d8c n SER 95 N 14.01 -1.57 -4.65 6.66 3.41 -1.26 -5.12 113.62 125.10 2d8c n SER 95 Ca 0.40 -2.72 -0.42 0.00 -0.26 0.00 0.00 58.87 55.87 2d8c n SER 95 Cb 0.47 2.80 -0.03 0.00 -0.26 0.00 0.00 64.21 67.20 2d8c n SER 95 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2d8c s SER 96 N -3.04 6.49 0.00 4.04 0.01 -1.26 -5.26 113.70 114.68 2d8c s SER 96 Ca 0.24 2.19 0.00 0.00 1.31 0.00 0.00 55.95 59.68 2d8c s SER 96 Cb -0.02 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2d8c s SER 96 CO 0.17 -1.08 0.00 0.61 0.41 0.00 0.00 173.24 173.35