#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 7.05 0.23 1.61 0.15 -1.26 -5.03 113.70 116.45 2d8c s SER 2 Ca 0.00 1.43 -0.03 0.00 0.70 0.00 0.00 55.95 58.05 2d8c s SER 2 Cb 0.00 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.72 2d8c s SER 2 CO 0.00 -0.71 0.45 -0.94 1.20 0.00 0.00 173.24 173.25 2d8c s SER 3 N 1.42 6.43 0.66 5.45 1.04 -1.26 -4.85 113.70 122.59 2d8c s SER 3 Ca 0.47 0.56 0.00 0.00 0.48 0.00 0.00 55.95 57.45 2d8c s SER 3 Cb -0.16 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 63.88 2d8c s SER 3 CO 0.09 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.83 2d8c n GLY 4 N -0.64 0.39 3.70 7.32 0.00 -1.26 -4.68 105.19 110.02 2d8c n GLY 4 Ca -0.03 0.70 -0.05 0.00 0.00 0.00 0.00 46.02 46.64 2d8c n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d8c s SER 5 N -4.00 -0.24 -0.03 1.61 0.15 -1.26 -5.05 113.70 104.88 2d8c s SER 5 Ca 0.00 -0.32 0.08 0.00 0.70 0.00 0.00 55.95 56.42 2d8c s SER 5 Cb 0.00 0.48 -0.24 0.00 -1.71 0.00 0.00 66.02 64.56 2d8c s SER 5 CO 0.00 -0.87 0.72 0.77 1.20 0.00 0.00 173.24 175.05 2d8c h SER 6 N 2.00 0.09 0.00 5.45 4.64 -1.99 -3.49 113.55 120.25 2d8c h SER 6 Ca -0.24 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2d8c h SER 6 Cb 1.24 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2d8c h SER 6 CO 0.27 1.14 0.00 0.61 -0.87 0.00 0.00 176.83 177.98 2d8c n GLY 7 N 1.59 2.19 0.31 -0.77 0.00 -1.26 -4.48 105.19 102.77 2d8c n GLY 7 Ca -0.17 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 45.83 2d8c n GLY 7 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2d8c h MET 8 N 0.00 0.63 -0.10 1.61 1.85 -1.95 0.54 114.93 117.51 2d8c h MET 8 Ca 0.00 -0.04 -0.12 0.00 -0.61 0.00 0.00 59.70 58.93 2d8c h MET 8 Cb 0.00 -0.14 0.00 0.00 0.43 0.00 0.00 31.60 31.89 2d8c h MET 8 CO 0.00 0.42 -0.41 1.25 -0.40 0.00 0.00 176.91 177.76 2d8c h LEU 9 N 0.65 0.53 0.00 3.39 5.85 -2.00 -2.99 115.31 120.74 2d8c h LEU 9 Ca 0.45 -0.63 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2d8c h LEU 9 Cb 0.60 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.47 2d8c h LEU 9 CO -0.34 1.08 0.00 -1.54 -0.34 0.00 0.00 178.44 177.30 2d8c n SER 10 N -4.32 0.00 -3.22 1.25 3.41 -0.75 -4.56 113.62 105.44 2d8c n SER 10 Ca -0.08 0.13 0.04 0.00 -0.26 0.00 0.00 58.87 58.70 2d8c n SER 10 Cb 0.55 -0.33 -0.02 0.00 -0.26 0.00 0.00 64.21 64.15 2d8c n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2d8c s ALA 11 N -2.66 -2.86 -0.01 7.33 0.00 0.18 -4.98 121.76 118.75 2d8c s ALA 11 Ca 0.15 1.72 -0.00 0.00 0.00 0.00 0.00 51.96 53.84 2d8c s ALA 11 Cb 0.12 -2.28 -0.01 0.00 0.00 0.00 0.00 23.12 20.96 2d8c s ALA 11 CO 0.29 -1.30 -0.01 -2.13 0.00 0.00 0.00 175.76 172.60 2d8c n ARG 12 N 5.37 0.03 -3.65 0.00 0.63 -1.17 -4.03 116.66 113.84 2d8c n ARG 12 Ca -0.06 0.01 -0.05 0.00 -0.92 0.00 0.00 57.85 56.84 2d8c n ARG 12 Cb 0.52 -0.84 -0.06 0.00 0.45 0.00 0.00 32.46 32.53 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 -2.03 -0.50 -0.28 5.15 -1.32 -1.26 -5.02 115.64 110.38 2d8c s THR 13 Ca -0.02 0.02 0.12 0.00 -1.21 0.00 0.00 61.69 60.60 2d8c s THR 13 Cb 0.01 -0.94 0.79 0.00 -1.51 0.00 0.00 72.50 70.84 2d8c s THR 13 CO 0.03 0.01 1.78 0.80 -2.21 0.00 0.00 174.62 175.02 2d8c n MET 14 N 4.91 4.36 -0.08 7.08 1.56 -1.26 -4.45 117.12 129.25 2d8c n MET 14 Ca -0.16 -3.14 -0.14 0.00 -0.27 0.00 0.00 57.70 54.00 2d8c n MET 14 Cb 0.53 -2.24 -0.05 0.00 2.15 0.00 0.00 33.22 33.61 2d8c n MET 14 CO 0.00 0.00 0.00 0.87 -0.73 0.00 0.00 175.97 176.11 2d8c h LYS 15 N 3.37 0.65 0.03 2.12 1.57 -1.91 -3.34 116.57 119.07 2d8c h LYS 15 Ca 0.12 -0.37 -0.12 0.00 -1.87 0.00 0.00 60.65 58.40 2d8c h LYS 15 Cb 2.14 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 34.47 2d8c h LYS 15 CO 0.60 0.99 -0.63 1.05 -0.57 0.00 0.00 179.45 180.89 2d8c h GLU 16 N 0.36 0.07 -3.90 3.15 4.11 -1.90 -1.39 114.58 115.08 2d8c h GLU 16 Ca 0.03 -0.12 -0.06 0.00 0.07 0.00 0.00 59.36 59.28 2d8c h GLU 16 Cb 0.91 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.17 2d8c h GLU 16 CO 0.08 1.06 -0.09 1.55 0.07 0.00 0.00 179.01 181.67 2d8c n VAL 17 N -4.41 0.00 0.00 -1.06 3.14 -1.25 -4.51 118.33 110.23 2d8c n VAL 17 Ca -0.18 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.20 2d8c n VAL 17 Cb 0.63 -0.05 0.00 0.00 -1.06 0.00 0.00 33.84 33.36 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 -1.79 0.00 1.46 1.55 0.24 -1.26 -3.49 118.33 115.05 2d8c n VAL 18 Ca 0.01 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.37 2d8c n VAL 18 Cb 0.32 -0.52 0.23 0.00 -1.47 0.00 0.00 33.84 32.40 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 -2.49 0.20 -0.77 6.34 4.01 -1.26 0.95 117.16 124.14 2d8c n TYR 19 Ca 0.00 -0.10 -0.33 0.00 -0.16 0.00 0.00 57.90 57.31 2d8c n TYR 19 Cb 0.48 0.00 0.13 0.00 -0.31 0.00 0.00 39.34 39.64 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 -0.04 -1.07 -2.18 -0.72 7.02 -1.26 -4.88 117.44 114.31 2d8c n TRP 20 Ca 0.10 0.26 -0.27 0.00 -1.02 0.00 0.00 57.50 56.56 2d8c n TRP 20 Cb 0.18 -1.82 0.05 0.00 -2.42 0.00 0.00 31.31 27.31 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 -2.12 5.16 0.31 -0.99 1.04 -1.26 -3.85 113.70 111.99 2d8c s SER 21 Ca 0.59 0.70 0.25 0.00 0.48 0.00 0.00 55.95 57.97 2d8c s SER 21 Cb -0.21 -1.48 1.05 0.00 0.10 0.00 0.00 66.02 65.48 2d8c s SER 21 CO 0.66 -1.40 1.76 1.55 0.98 0.00 0.00 173.24 176.78 2d8c h PRO 22 N -0.51 0.00 0.01 4.02 0.13 -1.90 -2.86 132.00 130.88 2d8c h PRO 22 Ca -0.45 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.33 2d8c h PRO 22 Cb 1.29 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.35 2d8c h PRO 22 CO 0.62 0.00 -2.19 1.17 -0.23 0.00 0.00 178.00 177.37 2d8c n LYS 23 N -2.38 0.67 0.15 0.86 3.00 -1.26 -4.40 118.16 114.81 2d8c n LYS 23 Ca 0.02 0.11 -0.13 0.00 -0.00 0.00 0.00 58.31 58.30 2d8c n LYS 23 Cb 0.24 -1.61 -0.08 0.00 0.00 0.00 0.00 35.03 33.58 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 0.00 -0.38 -1.07 1.64 1.63 -1.88 -2.91 116.57 113.61 2d8c h LYS 24 Ca -0.47 0.03 0.41 0.00 -0.85 0.00 0.00 60.65 59.76 2d8c h LYS 24 Cb 2.14 0.09 -0.16 0.00 -0.60 0.00 0.00 32.23 33.69 2d8c h LYS 24 CO 0.03 -0.07 0.61 0.28 -3.45 0.00 0.00 179.45 176.85 2d8c h VAL 25 N -0.71 0.07 0.44 2.00 2.07 -1.73 0.13 116.25 118.52 2d8c h VAL 25 Ca -0.04 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 2d8c h VAL 25 Cb 0.48 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2d8c h VAL 25 CO 0.07 0.01 -0.21 0.00 0.02 0.00 0.00 177.57 177.46 2d8c h ALA 26 N 1.89 -0.59 -1.20 1.67 0.00 -1.74 -3.04 119.26 116.25 2d8c h ALA 26 Ca 0.83 -0.19 0.34 0.00 0.00 0.00 0.00 54.91 55.90 2d8c h ALA 26 Cb 2.24 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 20.18 2d8c h ALA 26 CO -0.67 -0.64 0.82 -0.44 0.00 0.00 0.00 179.25 178.32 2d8c h ASP 27 N -0.98 0.20 0.20 0.00 5.19 -0.60 0.98 116.42 121.41 2d8c h ASP 27 Ca -0.06 0.05 -0.10 0.00 -0.62 0.00 0.00 57.03 56.30 2d8c h ASP 27 Cb 0.57 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.09 2d8c h ASP 27 CO 0.10 0.00 -0.37 -0.25 -3.12 0.00 0.00 179.24 175.60 2d8c h TRP 28 N 0.16 0.28 0.36 4.55 7.01 -1.20 -2.50 115.95 124.60 2d8c h TRP 28 Ca 0.64 -0.07 -0.02 0.00 2.11 0.00 0.00 58.89 61.55 2d8c h TRP 28 Cb 2.13 -0.06 0.00 0.00 -2.10 0.00 0.00 29.16 29.13 2d8c h TRP 28 CO -0.00 0.59 -0.17 -0.07 -2.79 0.00 0.00 178.44 175.99 2d8c h LEU 29 N 0.21 -0.40 -1.68 0.65 3.38 0.11 -3.17 115.31 114.40 2d8c h LEU 29 Ca 0.02 0.01 0.26 0.00 0.09 0.00 0.00 57.88 58.26 2d8c h LEU 29 Cb 0.76 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.55 2d8c h LEU 29 CO 0.06 -0.19 0.67 -0.07 0.09 0.00 0.00 178.44 179.00 2d8c h LEU 30 N -0.67 0.24 -2.01 1.67 -0.00 -1.57 0.39 115.31 113.35 2d8c h LEU 30 Ca -0.05 0.04 0.16 0.00 -0.00 0.00 0.00 57.88 58.02 2d8c h LEU 30 Cb 0.37 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 41.00 2d8c h LEU 30 CO 0.08 0.07 0.40 -0.08 -0.00 0.00 0.00 178.44 178.91 2d8c h GLU 31 N 0.22 0.00 -0.22 1.13 4.22 -1.42 0.14 114.58 118.66 2d8c h GLU 31 Ca 0.51 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.95 2d8c h GLU 31 Cb 1.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.83 2d8c h GLU 31 CO -0.14 0.00 0.00 0.09 -2.18 0.00 0.00 179.01 176.78 2d8c n ASN 32 N -4.29 2.99 -2.13 1.04 3.02 0.13 -4.98 115.26 111.03 2d8c n ASN 32 Ca 0.10 -2.43 -0.08 0.00 -0.03 0.00 0.00 54.58 52.14 2d8c n ASN 32 Cb 0.63 -0.31 0.04 0.00 -0.61 0.00 0.00 39.78 39.54 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 -0.19 -0.94 -2.50 5.41 0.00 0.51 -4.99 120.51 117.82 2d8c n ALA 33 Ca 0.13 -0.03 -0.21 0.00 0.00 0.00 0.00 53.44 53.33 2d8c n ALA 33 Cb 0.56 -1.40 0.01 0.00 0.00 0.00 0.00 19.45 18.62 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 -2.46 2.80 0.02 0.00 2.81 -0.56 -4.83 117.12 114.91 2d8c n MET 34 Ca -0.13 -4.12 0.08 0.00 -1.81 0.00 0.00 57.70 51.71 2d8c n MET 34 Cb 0.58 -1.97 0.34 0.00 -0.71 0.00 0.00 33.22 31.45 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 -0.40 0.04 0.14 0.03 -0.04 -1.26 -2.48 135.00 131.03 2d8c n PRO 35 Ca 0.31 0.29 0.01 0.00 -0.04 0.00 0.00 63.50 64.06 2d8c n PRO 35 Cb 0.73 -1.57 0.16 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 -1.94 -3.03 114.58 119.24 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 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 2d8c h GLU 36 CO 0.00 0.57 -0.63 0.66 0.05 0.00 0.00 179.01 179.66 2d8c n TYR 37 N -3.54 0.06 -0.17 2.06 4.01 -1.03 -4.08 117.16 114.47 2d8c n TYR 37 Ca -0.00 0.02 0.02 0.00 -0.16 0.00 0.00 57.90 57.78 2d8c n TYR 37 Cb 0.65 -0.25 0.30 0.00 -0.31 0.00 0.00 39.34 39.72 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 0.89 -1.30 0.00 0.00 5.08 -1.73 0.82 114.58 118.35 2d8c h GLU 39 Ca 0.26 0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 2d8c h GLU 39 Cb -0.04 0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2d8c h GLU 39 CO -0.06 -0.87 0.00 -1.00 -1.00 0.00 0.00 179.01 176.08 2d8c h PRO 40 N -1.35 0.00 -0.47 2.33 0.13 -1.76 -2.48 132.00 128.40 2d8c h PRO 40 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2d8c h PRO 40 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2d8c h PRO 40 CO 0.23 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.28 2d8c n LEU 41 N -2.75 3.28 -0.26 1.56 4.77 0.72 -4.59 117.00 119.71 2d8c n LEU 41 Ca 0.01 -2.02 0.04 0.00 -0.03 0.00 0.00 56.01 54.01 2d8c n LEU 41 Cb 0.27 -0.32 0.17 0.00 -2.33 0.00 0.00 43.42 41.21 2d8c n LEU 41 CO 0.24 0.81 1.07 1.05 -1.33 0.00 0.00 177.39 179.23 2d8c h GLU 42 N 2.72 0.57 -0.42 3.23 4.11 0.12 -1.49 114.58 123.41 2d8c h GLU 42 Ca 0.00 -0.03 -0.20 0.00 0.07 0.00 0.00 59.36 59.20 2d8c h GLU 42 Cb 0.83 -0.13 -0.12 0.00 0.50 0.00 0.00 28.75 29.83 2d8c h GLU 42 CO 0.01 0.38 0.03 -2.39 0.07 0.00 0.00 179.01 177.10 2d8c n HIS 43 N -4.88 1.33 -3.65 2.06 1.44 -1.26 -4.64 115.22 105.61 2d8c n HIS 43 Ca 0.13 -1.52 -0.35 0.00 -2.01 0.00 0.00 57.72 53.97 2d8c n HIS 43 Cb 0.34 -0.53 -0.05 0.00 0.12 0.00 0.00 29.99 29.87 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 -0.56 -4.96 117.98 111.89 2d8c s PHE 44 Ca 0.46 0.71 0.04 0.00 -0.60 0.00 0.00 56.93 57.54 2d8c s PHE 44 Cb 0.41 -2.09 -0.03 0.00 0.51 0.00 0.00 43.02 41.81 2d8c s PHE 44 CO 0.03 0.58 -0.06 0.95 0.70 0.00 0.00 175.22 177.41 2d8c s THR 45 N -1.32 3.65 0.15 0.64 -4.23 -1.26 -4.25 115.64 109.02 2d8c s THR 45 Ca 0.29 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.96 2d8c s THR 45 Cb -0.14 -2.61 0.21 0.00 1.34 0.00 0.00 72.50 71.29 2d8c s THR 45 CO 0.16 0.34 0.76 0.61 -0.54 0.00 0.00 174.62 175.95 2d8c n GLY 46 N 1.38 -0.68 0.09 3.99 0.00 -1.24 0.22 105.19 108.94 2d8c n GLY 46 Ca -0.15 0.48 -0.13 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.12 -0.53 1.61 5.75 0.55 -0.97 115.11 121.40 2d8c h GLN 47 Ca 0.29 0.01 -0.07 0.00 -0.15 0.00 0.00 58.65 58.72 2d8c h GLN 47 Cb 0.57 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.13 2d8c h GLN 47 CO -0.46 -0.04 0.03 -0.44 -2.65 0.00 0.00 178.83 175.27 2d8c h ASP 48 N -0.16 0.84 0.33 -0.69 5.19 0.23 -1.87 116.42 120.29 2d8c h ASP 48 Ca -0.01 -0.20 -0.02 0.00 -0.62 0.00 0.00 57.03 56.18 2d8c h ASP 48 Cb 0.13 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.42 2d8c h ASP 48 CO 0.02 0.89 -0.16 0.25 -3.12 0.00 0.00 179.24 177.12 2d8c h LEU 49 N 0.82 -0.38 -2.03 1.55 6.46 -0.21 -2.07 115.31 119.45 2d8c h LEU 49 Ca 0.16 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 2d8c h LEU 49 Cb 0.45 0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.48 2d8c h LEU 49 CO 0.02 -0.27 0.00 0.16 -0.62 0.00 0.00 178.44 177.73 2d8c h ILE 50 N -0.45 0.00 -0.01 4.05 3.07 -1.12 -1.60 117.51 121.45 2d8c h ILE 50 Ca -0.05 -0.29 0.00 0.00 1.55 0.00 0.00 64.86 66.08 2d8c h ILE 50 Cb 0.34 1.26 0.00 0.00 -0.27 0.00 0.00 36.82 38.16 2d8c h ILE 50 CO 0.08 0.00 0.00 0.59 -1.05 0.00 0.00 178.15 177.77 2d8c n ASN 51 N -3.03 0.10 -4.74 2.16 3.02 -0.71 -4.82 115.26 107.24 2d8c n ASN 51 Ca -0.01 -1.70 -0.40 0.00 -0.03 0.00 0.00 54.58 52.44 2d8c n ASN 51 Cb 0.20 -0.01 -0.05 0.00 -0.61 0.00 0.00 39.78 39.31 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 -1.31 4.49 0.23 3.41 1.43 -0.60 -5.03 118.68 121.29 2d8c s LEU 52 Ca 0.16 1.61 0.01 0.00 -1.03 0.00 0.00 54.13 54.88 2d8c s LEU 52 Cb 0.07 -3.38 -0.05 0.00 0.03 0.00 0.00 46.19 42.86 2d8c s LEU 52 CO 0.12 0.01 0.07 0.42 0.23 0.00 0.00 176.35 177.21 2d8c s THR 53 N -0.19 0.52 0.63 5.49 -4.23 -1.26 -5.01 115.64 111.58 2d8c s THR 53 Ca 0.41 -1.99 0.32 0.00 -1.18 0.00 0.00 61.69 59.25 2d8c s THR 53 Cb -0.22 -2.47 0.36 0.00 1.34 0.00 0.00 72.50 71.51 2d8c s THR 53 CO 0.26 -0.14 2.06 -0.61 -0.54 0.00 0.00 174.62 175.65 2d8c h GLN 54 N 2.51 0.00 0.00 3.99 4.15 -1.97 0.43 115.11 124.22 2d8c h GLN 54 Ca -0.37 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.04 2d8c h GLN 54 Cb 1.23 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.92 2d8c h GLN 54 CO 0.60 0.00 -0.04 1.05 -1.93 0.00 0.00 178.83 178.52 2d8c h GLU 55 N 0.00 0.00 0.00 1.69 -0.00 -2.00 -2.95 114.58 111.32 2d8c h GLU 55 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.42 2d8c h GLU 55 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.31 2d8c h GLU 55 CO -0.00 0.04 -0.26 -0.25 -0.00 0.00 0.00 179.01 178.54 2d8c n ASP 56 N -3.12 0.58 -0.08 3.06 8.00 0.15 -3.95 116.55 121.19 2d8c n ASP 56 Ca 0.03 0.31 -0.16 0.00 0.71 0.00 0.00 54.79 55.68 2d8c n ASP 56 Cb 0.47 -0.30 -0.12 0.00 -0.02 0.00 0.00 41.12 41.14 2d8c n ASP 56 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2d8c h PHE 57 N 0.00 0.00 -0.12 1.24 -1.00 -1.47 -3.31 116.94 112.28 2d8c h PHE 57 Ca 0.00 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.82 2d8c h PHE 57 Cb 0.66 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.22 2d8c h PHE 57 CO 0.00 1.11 0.72 1.57 -1.61 0.00 0.00 178.31 180.10 2d8c h LYS 58 N -1.00 0.00 -5.22 1.51 2.10 -1.68 -3.33 116.57 108.95 2d8c h LYS 58 Ca -0.09 0.00 -0.39 0.00 -2.00 0.00 0.00 60.65 58.17 2d8c h LYS 58 Cb 1.06 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 32.25 2d8c h LYS 58 CO -0.06 0.00 -0.69 -1.59 -2.00 0.00 0.00 179.45 175.11 2d8c s LYS 59 N -4.12 1.27 0.93 0.07 -2.85 -1.24 -5.00 119.74 108.80 2d8c s LYS 59 Ca -0.02 -1.60 -0.12 0.00 -1.00 0.00 0.00 55.97 53.23 2d8c s LYS 59 Cb 0.06 -0.78 0.15 0.00 -2.06 0.00 0.00 37.83 35.19 2d8c s LYS 59 CO 0.19 0.03 1.09 -1.25 0.10 0.00 0.00 175.35 175.51 2d8c s PRO 60 N -3.77 0.96 0.30 1.78 0.04 -1.26 -3.52 135.00 129.53 2d8c s PRO 60 Ca 0.23 0.72 0.08 0.00 0.04 0.00 0.00 61.00 62.07 2d8c s PRO 60 Cb 0.03 -1.78 0.46 0.00 0.04 0.00 0.00 34.50 33.25 2d8c s PRO 60 CO 0.06 -2.42 1.69 -1.00 0.04 0.00 0.00 177.00 175.37 2d8c h PRO 61 N -1.67 0.15 -5.97 0.56 0.13 -1.95 -3.48 132.00 119.77 2d8c h PRO 61 Ca -0.51 -0.08 -0.50 0.00 -0.87 0.00 0.00 66.00 64.04 2d8c h PRO 61 Cb 1.30 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 2d8c h PRO 61 CO 0.56 0.59 1.38 -0.51 -0.23 0.00 0.00 178.00 179.78 2d8c s LEU 62 N -8.08 3.32 -0.18 1.56 1.43 -1.23 -4.92 118.68 110.58 2d8c s LEU 62 Ca -0.04 0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 53.44 2d8c s LEU 62 Cb 0.13 -2.61 0.06 0.00 0.03 0.00 0.00 46.19 43.80 2d8c s LEU 62 CO 0.77 -2.37 0.45 -0.47 0.23 0.00 0.00 176.35 174.95 2d8c s TYR 63 N 9.22 -0.62 -0.34 0.29 5.04 -1.25 -3.89 117.35 125.80 2d8c s TYR 63 Ca 0.71 1.35 0.00 0.00 -2.44 0.00 0.00 57.07 56.69 2d8c s TYR 63 Cb -0.14 0.28 0.00 0.00 0.35 0.00 0.00 41.96 42.45 2d8c s TYR 63 CO 0.22 -0.33 0.00 0.54 -1.34 0.00 0.00 175.55 174.64 2d8c n ARG 64 N 3.92 -2.01 -0.08 4.97 5.12 -1.26 -4.74 116.66 122.57 2d8c n ARG 64 Ca -0.21 0.19 -0.02 0.00 -1.93 0.00 0.00 57.85 55.89 2d8c n ARG 64 Cb 0.56 -4.51 0.23 0.00 -1.16 0.00 0.00 32.46 27.58 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 1.21 -3.89 1.55 2.07 -1.92 -3.43 116.25 111.84 2d8c h VAL 65 Ca -0.08 -0.79 -0.50 0.00 0.82 0.00 0.00 66.70 66.15 2d8c h VAL 65 Cb 0.69 0.77 -0.21 0.00 -1.52 0.00 0.00 31.29 31.01 2d8c h VAL 65 CO 0.10 0.29 -0.80 -0.55 0.02 0.00 0.00 177.57 176.63 2d8c s SER 66 N -6.64 2.20 0.00 0.57 0.15 -1.26 -4.96 113.70 103.76 2d8c s SER 66 Ca -0.09 -0.67 0.25 0.00 0.70 0.00 0.00 55.95 56.14 2d8c s SER 66 Cb 0.15 -0.10 1.41 0.00 -1.71 0.00 0.00 66.02 65.77 2d8c s SER 66 CO 0.79 -0.01 1.85 -1.54 1.20 0.00 0.00 173.24 175.53 2d8c n SER 67 N 1.09 0.00 -1.98 5.45 3.41 -1.26 -2.91 113.62 117.42 2d8c n SER 67 Ca -0.20 -0.53 -0.07 0.00 -0.26 0.00 0.00 58.87 57.81 2d8c n SER 67 Cb 0.54 -0.10 0.28 0.00 -0.26 0.00 0.00 64.21 64.67 2d8c n SER 67 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2d8c n ASP 68 N -1.10 4.64 -2.16 4.04 9.92 -1.26 -4.88 116.55 125.75 2d8c n ASP 68 Ca 0.16 -3.18 -0.19 0.00 -0.53 0.00 0.00 54.79 51.05 2d8c n ASP 68 Cb 0.13 -0.75 -0.03 0.00 -0.64 0.00 0.00 41.12 39.83 2d8c n ASP 68 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2d8c n ASN 69 N -0.19 -5.32 -1.14 -2.24 3.02 -1.15 -1.04 115.26 107.20 2d8c n ASN 69 Ca 0.41 0.16 -0.10 0.00 -0.03 0.00 0.00 54.58 55.01 2d8c n ASN 69 Cb 1.37 -4.53 -0.01 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 -0.79 0.02 0.08 7.41 0.00 -1.25 -4.94 105.19 105.72 2d8c n GLY 70 Ca -0.21 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.18 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 0.00 0.00 -0.85 1.61 5.75 -1.45 -3.20 115.11 116.97 2d8c h GLN 71 Ca -0.24 0.00 0.15 0.00 -0.15 0.00 0.00 58.65 58.41 2d8c h GLN 71 Cb 1.15 0.00 -0.15 0.00 1.07 0.00 0.00 27.48 29.55 2d8c h GLN 71 CO 0.29 0.95 -0.33 -0.09 -2.65 0.00 0.00 178.83 177.00 2d8c h ARG 72 N -1.00 -0.04 0.93 1.69 2.43 -1.93 0.42 114.38 116.88 2d8c h ARG 72 Ca -0.12 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.00 2d8c h ARG 72 Cb 1.07 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.64 2d8c h ARG 72 CO -0.07 -0.03 -0.45 1.25 -1.51 0.00 0.00 179.97 179.16 2d8c h LEU 73 N -0.05 -1.05 -0.99 3.80 5.85 -1.97 -1.48 115.31 119.42 2d8c h LEU 73 Ca 0.34 0.04 0.36 0.00 0.84 0.00 0.00 57.88 59.45 2d8c h LEU 73 Cb 0.60 0.27 -0.17 0.00 0.37 0.00 0.00 40.66 41.73 2d8c h LEU 73 CO -0.88 -0.74 0.44 -0.07 -0.34 0.00 0.00 178.44 176.85 2d8c h LEU 74 N -1.28 0.21 -0.40 2.25 3.38 -1.30 1.03 115.31 119.19 2d8c h LEU 74 Ca -0.13 0.24 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 2d8c h LEU 74 Cb 0.95 0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 2d8c h LEU 74 CO 0.21 -0.33 -0.24 -0.78 0.09 0.00 0.00 178.44 177.40 2d8c h ASP 75 N 0.10 0.91 0.24 -0.43 3.58 -0.71 0.29 116.42 120.40 2d8c h ASP 75 Ca 0.75 -0.42 -0.09 0.00 0.42 0.00 0.00 57.03 57.69 2d8c h ASP 75 Cb 1.84 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 42.63 2d8c h ASP 75 CO -0.75 1.13 -0.36 0.24 -2.88 0.00 0.00 179.24 176.62 2d8c h MET 76 N 0.69 0.18 0.22 0.28 2.86 0.20 -3.12 114.93 116.24 2d8c h MET 76 Ca 0.09 -0.08 -0.34 0.00 -2.06 0.00 0.00 59.70 57.30 2d8c h MET 76 Cb 0.81 -0.01 0.03 0.00 0.06 0.00 0.00 31.60 32.48 2d8c h MET 76 CO 0.07 0.53 -1.61 0.82 1.06 0.00 0.00 176.91 177.78 2d8c h ILE 77 N 0.16 1.12 -0.99 -1.22 2.04 -0.28 -3.33 117.51 115.00 2d8c h ILE 77 Ca 0.02 -2.62 0.30 0.00 1.00 0.00 0.00 64.86 63.56 2d8c h ILE 77 Cb 0.72 2.91 -0.14 0.00 -0.74 0.00 0.00 36.82 39.57 2d8c h ILE 77 CO 0.05 0.83 0.54 -0.08 0.00 0.00 0.00 178.15 179.50 2d8c h GLU 78 N 0.13 0.34 0.00 2.37 4.22 -0.36 1.20 114.58 122.48 2d8c h GLU 78 Ca -0.30 -0.02 -0.08 0.00 0.08 0.00 0.00 59.36 59.04 2d8c h GLU 78 Cb 2.14 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 31.30 2d8c h GLU 78 CO 0.23 0.23 -0.38 0.00 -2.18 0.00 0.00 179.01 176.91 2d8c h THR 79 N 0.35 1.11 0.00 0.32 1.03 -1.66 -2.46 112.91 111.59 2d8c h THR 79 Ca 0.70 -1.37 -0.06 0.00 -0.01 0.00 0.00 66.41 65.67 2d8c h THR 79 Cb 1.56 1.77 -0.01 0.00 -1.07 0.00 0.00 68.15 70.40 2d8c h THR 79 CO -0.59 0.37 -0.30 -0.07 -0.01 0.00 0.00 175.52 174.92 2d8c h LEU 80 N 0.00 0.00 0.00 0.00 3.38 0.13 -3.17 115.31 115.66 2d8c h LEU 80 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2d8c h LEU 80 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2d8c h LEU 80 CO 0.05 0.30 -0.18 0.11 0.09 0.00 0.00 178.44 178.81 2d8c h LYS 81 N 0.00 0.00 -1.44 1.13 6.56 -1.07 -3.30 116.57 118.45 2d8c h LYS 81 Ca -0.00 0.00 0.42 0.00 -1.06 0.00 0.00 60.65 60.01 2d8c h LYS 81 Cb 0.68 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.28 2d8c h LYS 81 CO 0.04 0.00 1.26 0.00 -2.06 0.00 0.00 179.45 178.69 2d8c n MET 82 N -4.60 0.01 -0.04 3.15 0.00 -0.96 0.14 117.12 114.82 2d8c n MET 82 Ca -0.02 0.99 -0.13 0.00 0.00 0.00 0.00 57.70 58.53 2d8c n MET 82 Cb 0.09 -2.38 -0.11 0.00 0.00 0.00 0.00 33.22 30.82 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 0.01 -7.11 3.17 4.39 -1.66 -3.46 114.58 109.92 2d8c h GLU 83 Ca 0.69 -0.01 -0.45 0.00 0.34 0.00 0.00 59.36 59.93 2d8c h GLU 83 Cb 3.19 0.00 0.22 0.00 -0.10 0.00 0.00 28.75 32.06 2d8c h GLU 83 CO -0.01 0.71 -0.05 1.58 -1.16 0.00 0.00 179.01 180.08 2d8c n HIS 84 N -4.74 -1.13 -0.95 4.33 -0.00 0.36 -4.80 115.22 108.29 2d8c n HIS 84 Ca -0.09 -0.10 -0.20 0.00 0.46 0.00 0.00 57.72 57.78 2d8c n HIS 84 Cb 0.35 -1.72 -0.09 0.00 -0.12 0.00 0.00 29.99 28.42 2d8c n HIS 84 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2d8c n HIS 85 N -4.92 0.91 -2.92 1.57 8.25 -1.26 -4.89 115.22 111.96 2d8c n HIS 85 Ca 0.03 -1.89 -0.41 0.00 -0.26 0.00 0.00 57.72 55.20 2d8c n HIS 85 Cb 0.54 -1.75 -0.04 0.00 1.12 0.00 0.00 29.99 29.86 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 1.94 4.32 -0.97 -0.41 -1.94 -1.26 -4.95 119.30 116.03 2d8c s MET 86 Ca 0.57 0.99 -0.26 0.00 -1.71 0.00 0.00 55.69 55.28 2d8c s MET 86 Cb 0.21 -3.55 -0.16 0.00 2.01 0.00 0.00 34.83 33.34 2d8c s MET 86 CO -0.02 -0.26 2.18 -1.21 -0.01 0.00 0.00 175.02 175.70 2d8c s GLU 87 N 1.91 1.65 -0.06 2.03 0.41 -1.26 -4.70 118.70 118.68 2d8c s GLU 87 Ca 0.38 -0.16 -0.02 0.00 -0.41 0.00 0.00 54.97 54.76 2d8c s GLU 87 Cb -0.17 -4.95 -0.01 0.00 -1.78 0.00 0.00 34.13 27.23 2d8c s GLU 87 CO 0.14 -4.69 -0.04 0.00 -0.49 0.00 0.00 175.26 170.17 2d8c h ALA 88 N 11.75 0.00 -2.16 5.21 0.00 -1.96 -3.45 119.26 128.65 2d8c h ALA 88 Ca 0.04 -0.17 -0.56 0.00 0.00 0.00 0.00 54.91 54.22 2d8c h ALA 88 Cb 0.99 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 2d8c h ALA 88 CO 1.06 0.12 1.09 -1.01 0.00 0.00 0.00 179.25 180.51 2d8c s HIS 89 N -1.45 2.11 0.47 0.00 3.76 -1.26 -4.99 115.29 113.93 2d8c s HIS 89 Ca -0.03 0.43 -0.20 0.00 -0.15 0.00 0.00 55.06 55.10 2d8c s HIS 89 Cb 0.00 -3.89 -0.09 0.00 1.11 0.00 0.00 32.58 29.71 2d8c s HIS 89 CO 0.05 -3.26 0.99 0.15 -0.85 0.00 0.00 174.74 171.82 2d8c s LYS 90 N 4.25 4.01 -0.30 1.40 -0.14 -1.26 -5.04 119.74 122.66 2d8c s LYS 90 Ca 0.71 1.19 -0.10 0.00 -1.36 0.00 0.00 55.97 56.40 2d8c s LYS 90 Cb -0.29 -2.14 -0.03 0.00 -1.68 0.00 0.00 37.83 33.70 2d8c s LYS 90 CO 0.28 -0.23 0.17 -0.80 -0.76 0.00 0.00 175.35 174.00 2d8c s ASN 91 N -2.25 5.71 -0.17 2.83 -0.87 -1.26 -5.07 114.94 113.86 2d8c s ASN 91 Ca 0.63 -0.29 -0.02 0.00 -1.57 0.00 0.00 52.86 51.62 2d8c s ASN 91 Cb -0.12 -2.05 -0.01 0.00 -0.02 0.00 0.00 41.25 39.05 2d8c s ASN 91 CO 0.19 -0.13 -0.10 -0.44 -2.57 0.00 0.00 177.10 174.05 2d8c s SER 92 N 1.68 4.06 -0.01 -1.22 0.01 -1.26 -5.11 113.70 111.85 2d8c s SER 92 Ca 0.06 -0.38 0.07 0.00 1.31 0.00 0.00 55.95 57.01 2d8c s SER 92 Cb -0.16 -1.65 -0.02 0.00 0.21 0.00 0.00 66.02 64.39 2d8c s SER 92 CO 0.08 0.07 -0.22 -0.83 0.41 0.00 0.00 173.24 172.75 2d8c s GLY 93 N 0.92 1.39 0.15 3.44 0.00 -1.26 -5.01 107.32 106.95 2d8c s GLY 93 Ca -0.02 -1.12 0.19 0.00 0.00 0.00 0.00 44.72 43.77 2d8c s GLY 93 CO -0.00 -0.95 1.60 -1.55 0.00 0.00 0.00 173.10 172.19 2d8c n PRO 94 N 2.19 0.11 -3.27 2.90 -0.04 -1.26 -4.49 135.00 131.13 2d8c n PRO 94 Ca -0.16 0.35 -0.44 0.00 -0.04 0.00 0.00 63.50 63.21 2d8c n PRO 94 Cb 0.52 -1.71 -0.07 0.00 -0.04 0.00 0.00 33.50 32.20 2d8c n PRO 94 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2d8c s SER 95 N -3.70 6.18 -0.17 3.54 0.01 -1.26 -5.03 113.70 113.27 2d8c s SER 95 Ca 0.05 -1.20 0.01 0.00 1.31 0.00 0.00 55.95 56.12 2d8c s SER 95 Cb 0.09 -2.23 0.02 0.00 0.21 0.00 0.00 66.02 64.11 2d8c s SER 95 CO 0.33 -0.79 -0.18 -0.44 0.41 0.00 0.00 173.24 172.57 2d8c s SER 96 N 2.77 3.01 0.00 2.44 0.01 -1.26 -5.21 113.70 115.45 2d8c s SER 96 Ca 0.09 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 56.74 2d8c s SER 96 Cb -0.23 -1.38 0.00 0.00 0.21 0.00 0.00 66.02 64.62 2d8c s SER 96 CO 0.08 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.32