#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dl0 h SER 2 N 0.00 0.51 -5.87 1.61 0.02 -2.07 -3.48 113.55 104.26 2dl0 h SER 2 Ca 0.00 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 60.66 2dl0 h SER 2 Cb 0.00 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.41 2dl0 h SER 2 CO 0.00 0.66 -1.00 -1.20 -1.14 0.00 0.00 176.83 174.15 2dl0 n SER 3 N -4.60 -7.15 0.00 3.07 7.64 -1.26 -4.99 113.62 106.33 2dl0 n SER 3 Ca -0.02 0.80 0.00 0.00 1.01 0.00 0.00 58.87 60.66 2dl0 n SER 3 Cb 0.23 -3.13 0.00 0.00 -1.01 0.00 0.00 64.21 60.31 2dl0 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dl0 n GLY 4 N 1.00 1.66 3.81 0.23 0.00 -1.26 -5.19 105.19 105.44 2dl0 n GLY 4 Ca -0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 46.02 45.66 2dl0 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dl0 s SER 5 N 2.00 -0.17 -0.39 1.61 0.15 -1.26 -5.13 113.70 110.51 2dl0 s SER 5 Ca 0.00 -0.58 -0.06 0.00 0.70 0.00 0.00 55.95 56.01 2dl0 s SER 5 Cb 0.00 0.61 0.08 0.00 -1.71 0.00 0.00 66.02 65.00 2dl0 s SER 5 CO 0.00 -1.15 0.19 -0.44 1.20 0.00 0.00 173.24 173.04 2dl0 s SER 6 N -2.99 5.39 0.11 5.45 0.01 -1.26 -5.02 113.70 115.38 2dl0 s SER 6 Ca 0.13 -1.59 0.00 0.00 1.31 0.00 0.00 55.95 55.80 2dl0 s SER 6 Cb -0.03 -1.89 0.00 0.00 0.21 0.00 0.00 66.02 64.31 2dl0 s SER 6 CO 0.05 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 173.83 2dl0 n GLY 7 N 4.77 -2.01 3.74 3.44 0.00 -1.26 -4.93 105.19 108.94 2dl0 n GLY 7 Ca -0.09 -1.40 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 2dl0 n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dl0 n GLY 8 N -0.23 -2.11 0.00 -0.02 0.00 -1.26 -5.00 105.19 96.57 2dl0 n GLY 8 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.41 2dl0 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dl0 n GLY 9 N -4.30 1.46 3.60 -0.02 0.00 -1.26 -5.10 105.19 99.56 2dl0 n GLY 9 Ca 0.16 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 2dl0 n GLY 9 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dl0 s LEU 10 N 0.00 4.06 -0.36 0.99 1.98 -1.26 -5.05 118.68 119.04 2dl0 s LEU 10 Ca 0.00 0.15 -0.15 0.00 -2.89 0.00 0.00 54.13 51.24 2dl0 s LEU 10 Cb 0.00 -2.32 -0.01 0.00 0.66 0.00 0.00 46.19 44.53 2dl0 s LEU 10 CO 0.00 -0.15 0.35 0.42 -1.89 0.00 0.00 176.35 175.08 2dl0 s THR 11 N 1.96 5.18 0.47 3.68 -4.23 -1.26 -4.96 115.64 116.48 2dl0 s THR 11 Ca 0.12 -0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.55 2dl0 s THR 11 Cb -0.16 -3.84 0.00 0.00 1.34 0.00 0.00 72.50 69.84 2dl0 s THR 11 CO 0.10 -0.14 0.00 1.21 -0.54 0.00 0.00 174.62 175.26 2dl0 n GLU 12 N 5.36 -3.05 -1.78 3.99 2.13 -1.26 -4.71 120.64 121.33 2dl0 n GLU 12 Ca -0.09 2.26 -0.42 0.00 0.66 0.00 0.00 57.16 59.57 2dl0 n GLU 12 Cb 0.49 -3.64 -0.03 0.00 0.27 0.00 0.00 31.44 28.53 2dl0 n GLU 12 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 2dl0 s ILE 13 N -3.16 2.16 -0.11 6.31 -5.25 -1.26 -4.94 121.20 114.94 2dl0 s ILE 13 Ca 0.00 0.12 -0.06 0.00 -0.99 0.00 0.00 60.65 59.72 2dl0 s ILE 13 Cb 0.00 -3.08 -0.05 0.00 2.95 0.00 0.00 42.46 42.28 2dl0 s ILE 13 CO 0.00 0.01 0.15 0.00 -1.79 0.00 0.00 174.94 173.31 2dl0 n ARG 15 N -4.74 -0.44 -4.59 0.00 0.63 -1.26 -4.96 116.66 101.29 2dl0 n ARG 15 Ca -0.02 0.81 -0.32 0.00 -0.92 0.00 0.00 57.85 57.40 2dl0 n ARG 15 Cb 0.11 -0.89 -0.12 0.00 0.45 0.00 0.00 32.46 32.01 2dl0 n ARG 15 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 2dl0 s LYS 16 N -0.75 2.34 0.68 -0.14 -2.85 -1.26 -5.12 119.74 112.64 2dl0 s LYS 16 Ca 0.00 -0.83 -0.14 0.00 -1.00 0.00 0.00 55.97 54.00 2dl0 s LYS 16 Cb 0.00 -2.36 0.01 0.00 -2.06 0.00 0.00 37.83 33.42 2dl0 s LYS 16 CO 0.00 0.58 1.11 -1.25 0.10 0.00 0.00 175.35 175.89 2dl0 s PRO 17 N -1.36 2.72 0.59 1.78 0.04 -1.26 -4.98 135.00 132.53 2dl0 s PRO 17 Ca 0.15 1.36 -0.20 0.00 0.04 0.00 0.00 61.00 62.36 2dl0 s PRO 17 Cb -0.11 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2dl0 s PRO 17 CO 0.06 -1.31 1.22 1.33 0.04 0.00 0.00 177.00 178.34 2dl0 n VAL 18 N -2.57 4.09 -1.52 -0.36 0.24 -1.26 -4.90 118.33 112.06 2dl0 n VAL 18 Ca 0.10 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.34 61.50 2dl0 n VAL 18 Cb 0.52 -1.45 0.02 0.00 -1.47 0.00 0.00 33.84 31.46 2dl0 n VAL 18 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2dl0 n SER 19 N -1.15 -0.13 0.00 -1.34 7.64 -1.26 -4.83 113.62 112.55 2dl0 n SER 19 Ca 0.13 0.90 0.07 0.00 1.01 0.00 0.00 58.87 60.98 2dl0 n SER 19 Cb 0.46 -1.22 0.35 0.00 -1.01 0.00 0.00 64.21 62.79 2dl0 n SER 19 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2dl0 n PRO 20 N 0.17 0.15 0.00 1.43 -0.04 -1.26 -4.84 135.00 130.61 2dl0 n PRO 20 Ca 0.11 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 2dl0 n PRO 20 Cb 0.42 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 2dl0 n PRO 20 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dl0 n GLY 21 N -0.02 2.87 3.83 0.55 0.00 -1.26 -5.04 105.19 106.11 2dl0 n GLY 21 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 2dl0 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dl0 s ILE 23 N -1.23 4.46 -0.06 0.00 1.01 -1.26 -4.96 121.20 119.16 2dl0 s ILE 23 Ca 0.31 1.77 -0.01 0.00 0.00 0.00 0.00 60.65 62.72 2dl0 s ILE 23 Cb -0.17 -4.17 -0.03 0.00 0.01 0.00 0.00 42.46 38.09 2dl0 s ILE 23 CO 0.18 0.45 -0.06 -1.54 0.00 0.00 0.00 174.94 173.97 2dl0 n SER 24 N 2.09 2.49 -4.02 3.58 3.41 -1.26 -5.03 113.62 114.87 2dl0 n SER 24 Ca -0.03 0.01 -0.20 0.00 -0.26 0.00 0.00 58.87 58.38 2dl0 n SER 24 Cb 0.49 -0.11 -0.09 0.00 -0.26 0.00 0.00 64.21 64.24 2dl0 n SER 24 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dl0 s SER 25 N -4.86 1.83 0.11 4.04 0.01 -1.26 -4.88 113.70 108.69 2dl0 s SER 25 Ca -0.08 -1.57 -0.27 0.00 1.31 0.00 0.00 55.95 55.35 2dl0 s SER 25 Cb 0.02 0.38 -0.09 0.00 0.21 0.00 0.00 66.02 66.54 2dl0 s SER 25 CO 0.12 -0.88 1.44 0.58 0.41 0.00 0.00 173.24 174.91 2dl0 h VAL 26 N 2.13 0.00 -0.91 3.43 2.07 -1.87 -1.98 116.25 119.12 2dl0 h VAL 26 Ca -0.34 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.27 2dl0 h VAL 26 Cb 1.25 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.91 2dl0 h VAL 26 CO 0.54 0.00 -0.57 0.28 0.02 0.00 0.00 177.57 177.83 2dl0 h SER 27 N -0.30 -2.08 -1.09 0.57 0.02 -1.94 0.87 113.55 109.60 2dl0 h SER 27 Ca 0.06 0.32 0.33 0.00 -0.84 0.00 0.00 61.79 61.66 2dl0 h SER 27 Cb 0.47 0.92 -0.13 0.00 0.14 0.00 0.00 62.40 63.80 2dl0 h SER 27 CO -0.50 -0.26 0.67 0.44 -1.14 0.00 0.00 176.83 176.04 2dl0 h ASP 28 N -0.06 0.44 0.04 3.07 5.19 -1.79 0.45 116.42 123.77 2dl0 h ASP 28 Ca 0.16 0.14 -0.27 0.00 -0.62 0.00 0.00 57.03 56.44 2dl0 h ASP 28 Cb 0.45 0.09 0.02 0.00 0.18 0.00 0.00 39.33 40.07 2dl0 h ASP 28 CO -0.89 -0.06 -1.06 -0.25 -3.12 0.00 0.00 179.24 173.86 2dl0 h TRP 29 N 0.31 1.02 -0.27 4.55 7.01 0.11 -2.46 115.95 126.22 2dl0 h TRP 29 Ca 0.71 -0.56 -0.05 0.00 2.11 0.00 0.00 58.89 61.10 2dl0 h TRP 29 Cb 1.81 -0.11 -0.02 0.00 -2.10 0.00 0.00 29.16 28.74 2dl0 h TRP 29 CO -0.01 1.40 -0.03 -0.07 -2.79 0.00 0.00 178.44 176.94 2dl0 h LEU 30 N 0.38 0.39 -0.09 0.65 3.38 0.32 -2.61 115.31 117.73 2dl0 h LEU 30 Ca -0.13 -0.07 -0.24 0.00 0.09 0.00 0.00 57.88 57.53 2dl0 h LEU 30 Cb 1.71 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.36 2dl0 h LEU 30 CO 0.21 0.48 -1.03 0.40 0.09 0.00 0.00 178.44 178.59 2dl0 h ILE 31 N 0.40 1.43 0.00 1.22 2.04 -0.75 0.16 117.51 122.01 2dl0 h ILE 31 Ca 0.09 -2.62 0.00 0.00 1.00 0.00 0.00 64.86 63.33 2dl0 h ILE 31 Cb 0.32 2.57 0.00 0.00 -0.74 0.00 0.00 36.82 38.98 2dl0 h ILE 31 CO 0.01 0.78 0.00 -0.24 0.00 0.00 0.00 178.15 178.70 2dl0 n SER 32 N -3.69 0.62 -0.01 1.72 2.88 -0.93 -1.79 113.62 112.43 2dl0 n SER 32 Ca -0.07 0.70 0.08 0.00 -1.33 0.00 0.00 58.87 58.25 2dl0 n SER 32 Cb 0.89 -0.81 -0.12 0.00 -0.75 0.00 0.00 64.21 63.41 2dl0 n SER 32 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 2dl0 n ILE 33 N -2.24 0.00 -0.80 2.46 -5.35 -1.07 -5.00 119.36 107.36 2dl0 n ILE 33 Ca 0.01 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 2dl0 n ILE 33 Cb 0.16 0.37 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 2dl0 n ILE 33 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2dl0 n GLY 34 N 1.49 1.24 2.60 3.28 0.00 -0.74 -5.01 105.19 108.04 2dl0 n GLY 34 Ca -0.01 -0.39 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 2dl0 n GLY 34 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dl0 n LEU 35 N 0.00 2.52 0.00 0.99 4.77 0.51 -4.86 117.00 120.92 2dl0 n LEU 35 Ca 0.00 -3.94 0.07 0.00 -0.03 0.00 0.00 56.01 52.12 2dl0 n LEU 35 Cb 0.19 0.18 0.40 0.00 -2.33 0.00 0.00 43.42 41.86 2dl0 n LEU 35 CO 0.00 1.61 0.69 -0.81 -1.33 0.00 0.00 177.39 177.55 2dl0 n PRO 36 N -0.36 0.29 0.00 3.23 -0.04 -1.16 -2.62 135.00 134.34 2dl0 n PRO 36 Ca 0.18 0.10 0.13 0.00 -0.04 0.00 0.00 63.50 63.88 2dl0 n PRO 36 Cb 0.80 -1.50 0.78 0.00 -0.04 0.00 0.00 33.50 33.55 2dl0 n PRO 36 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dl0 n MET 37 N -1.20 0.82 -0.00 0.54 0.00 -1.26 -2.62 117.12 113.40 2dl0 n MET 37 Ca 0.08 0.00 0.04 0.00 0.00 0.00 0.00 57.70 57.82 2dl0 n MET 37 Cb 0.10 -1.50 -0.05 0.00 0.00 0.00 0.00 33.22 31.77 2dl0 n MET 37 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2dl0 n TYR 38 N -1.01 0.00 -0.36 3.17 4.01 -1.08 -4.61 117.16 117.29 2dl0 n TYR 38 Ca 0.20 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.88 2dl0 n TYR 38 Cb 0.10 -0.06 -0.03 0.00 -0.31 0.00 0.00 39.34 39.04 2dl0 n TYR 38 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2dl0 h ALA 39 N 1.04 -0.20 0.00 -0.72 0.00 -1.68 0.55 119.26 118.24 2dl0 h ALA 39 Ca 0.00 0.18 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2dl0 h ALA 39 Cb 0.25 1.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 2dl0 h ALA 39 CO 0.00 -0.79 -0.38 0.78 0.00 0.00 0.00 179.25 178.86 2dl0 h GLY 40 N -0.05 0.00 0.60 0.00 0.00 -1.84 -2.10 103.07 99.67 2dl0 h GLY 40 Ca 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.54 2dl0 h GLY 40 CO -0.90 0.00 -0.29 -0.84 0.00 0.00 0.00 176.54 174.51 2dl0 h THR 41 N 0.00 0.00 -0.68 4.70 2.02 -0.31 -2.19 112.91 116.45 2dl0 h THR 41 Ca -0.00 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 2dl0 h THR 41 Cb 0.92 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 2dl0 h THR 41 CO 0.05 0.00 0.26 -0.07 0.37 0.00 0.00 175.52 176.13 2dl0 h LEU 42 N -1.03 0.94 -1.31 2.58 3.38 -0.83 -2.52 115.31 116.52 2dl0 h LEU 42 Ca -0.08 -0.18 0.13 0.00 0.09 0.00 0.00 57.88 57.84 2dl0 h LEU 42 Cb 0.61 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.05 2dl0 h LEU 42 CO 0.13 0.86 0.56 0.28 0.09 0.00 0.00 178.44 180.37 2dl0 h SER 43 N 0.96 0.65 0.13 -0.43 0.02 -1.38 0.72 113.55 114.22 2dl0 h SER 43 Ca 0.22 0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 61.05 2dl0 h SER 43 Cb 0.22 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2dl0 h SER 43 CO -0.02 0.35 -0.57 0.74 -1.14 0.00 0.00 176.83 176.19 2dl0 h THR 44 N 0.70 1.34 0.00 -2.27 2.02 -0.97 -2.79 112.91 110.94 2dl0 h THR 44 Ca 0.42 -1.85 0.00 0.00 0.77 0.00 0.00 66.41 65.75 2dl0 h THR 44 Cb 0.65 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.90 2dl0 h THR 44 CO -0.18 0.57 0.00 0.00 0.37 0.00 0.00 175.52 176.27 2dl0 n ALA 45 N -2.51 1.81 0.00 6.16 0.00 -0.15 -4.84 120.51 120.98 2dl0 n ALA 45 Ca -0.03 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2dl0 n ALA 45 Cb 0.61 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.69 2dl0 n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dl0 n GLY 46 N 0.31 1.73 3.57 0.00 0.00 -0.75 -5.05 105.19 105.01 2dl0 n GLY 46 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 2dl0 n GLY 46 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dl0 s PHE 47 N -1.63 1.53 -0.04 1.61 0.40 0.06 -4.49 117.98 115.42 2dl0 s PHE 47 Ca 0.00 1.35 0.07 0.00 -0.60 0.00 0.00 56.93 57.76 2dl0 s PHE 47 Cb 0.00 -3.70 -0.11 0.00 0.51 0.00 0.00 43.02 39.72 2dl0 s PHE 47 CO 0.00 -1.31 0.10 -1.13 0.70 0.00 0.00 175.22 173.58 2dl0 n SER 48 N 16.69 3.17 -4.86 1.36 3.41 -1.26 -3.35 113.62 128.78 2dl0 n SER 48 Ca 0.43 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.71 2dl0 n SER 48 Cb 0.46 1.00 -0.06 0.00 -0.26 0.00 0.00 64.21 65.36 2dl0 n SER 48 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2dl0 s THR 49 N -2.36 5.20 -2.00 6.66 -4.23 -1.26 -4.54 115.64 113.11 2dl0 s THR 49 Ca -0.03 -0.21 0.20 0.00 -1.18 0.00 0.00 61.69 60.47 2dl0 s THR 49 Cb 0.04 -3.40 0.57 0.00 1.34 0.00 0.00 72.50 71.04 2dl0 s THR 49 CO 0.32 0.36 1.58 0.18 -0.54 0.00 0.00 174.62 176.52 2dl0 n LEU 50 N 1.12 0.00 0.09 4.79 4.77 -1.26 -2.80 117.00 123.71 2dl0 n LEU 50 Ca -0.12 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.77 2dl0 n LEU 50 Cb 0.53 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.61 2dl0 n LEU 50 CO 0.41 0.00 0.25 0.77 -1.33 0.00 0.00 177.39 177.49 2dl0 h SER 51 N 0.00 0.22 1.36 -1.43 4.64 -2.00 -3.15 113.55 113.20 2dl0 h SER 51 Ca 0.00 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2dl0 h SER 51 Cb 0.00 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 2dl0 h SER 51 CO 0.00 0.99 -0.33 1.56 -0.87 0.00 0.00 176.83 178.18 2dl0 h GLN 52 N 0.09 0.00 0.84 4.77 4.20 -1.91 -3.36 115.11 119.74 2dl0 h GLN 52 Ca -0.04 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 2dl0 h GLN 52 Cb 1.51 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.30 2dl0 h GLN 52 CO 0.13 0.00 -0.43 0.28 -0.67 0.00 0.00 178.83 178.15 2dl0 h VAL 53 N 0.00 0.13 0.00 -0.54 2.07 -1.66 -2.14 116.25 114.11 2dl0 h VAL 53 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2dl0 h VAL 53 Cb 0.85 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2dl0 h VAL 53 CO 0.00 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.78 2dl0 n PRO 54 N -5.59 0.49 -0.09 1.57 -0.04 -1.25 -1.97 135.00 128.12 2dl0 n PRO 54 Ca -0.15 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.39 2dl0 n PRO 54 Cb 0.47 -1.36 0.11 0.00 -0.04 0.00 0.00 33.50 32.68 2dl0 n PRO 54 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dl0 n SER 55 N -0.86 2.13 -3.43 3.54 2.88 -0.86 -4.65 113.62 112.37 2dl0 n SER 55 Ca 0.09 -2.87 -0.22 0.00 -1.33 0.00 0.00 58.87 54.54 2dl0 n SER 55 Cb 0.04 -0.36 0.21 0.00 -0.75 0.00 0.00 64.21 63.35 2dl0 n SER 55 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2dl0 n LEU 56 N -1.22 -0.87 -3.62 2.46 4.77 -0.83 -5.01 117.00 112.69 2dl0 n LEU 56 Ca 0.13 -0.59 -0.09 0.00 -0.03 0.00 0.00 56.01 55.43 2dl0 n LEU 56 Cb 0.59 -0.86 -0.06 0.00 -2.33 0.00 0.00 43.42 40.77 2dl0 n LEU 56 CO 0.01 -3.80 0.81 -0.55 -1.33 0.00 0.00 177.39 172.52 2dl0 s SER 57 N -2.42 -0.37 0.37 -1.43 0.15 -1.26 -4.96 113.70 103.77 2dl0 s SER 57 Ca 0.47 0.59 0.18 0.00 0.70 0.00 0.00 55.95 57.90 2dl0 s SER 57 Cb -0.08 0.56 1.15 0.00 -1.71 0.00 0.00 66.02 65.94 2dl0 s SER 57 CO 0.40 -0.21 1.68 -0.74 1.20 0.00 0.00 173.24 175.57 2dl0 h HIS 58 N 3.41 0.81 0.03 3.44 2.76 -1.97 0.51 115.15 124.14 2dl0 h HIS 58 Ca -0.24 0.03 -0.25 0.00 -2.20 0.00 0.00 60.37 57.71 2dl0 h HIS 58 Cb 1.17 -0.22 0.01 0.00 1.55 0.00 0.00 27.41 29.93 2dl0 h HIS 58 CO 0.29 -0.13 -1.04 1.15 -1.30 0.00 0.00 177.93 176.91 2dl0 h THR 59 N 0.30 1.36 -0.23 6.26 2.02 -1.98 -2.73 112.91 117.91 2dl0 h THR 59 Ca 0.72 -2.45 0.04 0.00 0.77 0.00 0.00 66.41 65.49 2dl0 h THR 59 Cb 1.80 2.49 -0.04 0.00 -1.74 0.00 0.00 68.15 70.67 2dl0 h THR 59 CO -0.51 0.74 -0.01 0.00 0.37 0.00 0.00 175.52 176.11 2dl0 h LEU 61 N 0.06 0.96 -1.79 0.00 3.38 -1.38 -2.80 115.31 113.74 2dl0 h LEU 61 Ca 0.11 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.74 2dl0 h LEU 61 Cb 0.14 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2dl0 h LEU 61 CO -0.19 1.11 0.19 1.56 0.09 0.00 0.00 178.44 181.20 2dl0 h GLN 62 N 0.81 0.26 -0.15 1.13 1.08 -1.12 -1.06 115.11 116.06 2dl0 h GLN 62 Ca 0.12 -0.02 -0.14 0.00 -1.45 0.00 0.00 58.65 57.17 2dl0 h GLN 62 Cb 0.69 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 2dl0 h GLN 62 CO 0.05 0.18 -0.51 0.93 -0.95 0.00 0.00 178.83 178.53 2dl0 h GLU 63 N 0.27 0.40 -0.04 1.46 4.39 -0.87 -3.02 114.58 117.17 2dl0 h GLU 63 Ca 0.12 -0.23 -0.14 0.00 0.34 0.00 0.00 59.36 59.44 2dl0 h GLU 63 Cb 0.13 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 2dl0 h GLU 63 CO -0.02 0.81 -0.63 0.00 -1.16 0.00 0.00 179.01 178.00 2dl0 h ALA 64 N 1.15 0.87 0.00 3.43 0.00 -1.10 -3.47 119.26 120.14 2dl0 h ALA 64 Ca 0.01 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2dl0 h ALA 64 Cb 1.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2dl0 h ALA 64 CO 0.09 0.77 0.00 0.41 0.00 0.00 0.00 179.25 180.51 2dl0 n GLY 65 N 0.32 0.62 3.68 0.00 0.00 -0.79 -4.97 105.19 104.05 2dl0 n GLY 65 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 2dl0 n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dl0 s ILE 66 N -0.80 4.30 0.00 -0.61 1.01 -0.75 -4.86 121.20 119.50 2dl0 s ILE 66 Ca 0.00 1.60 0.00 0.00 0.00 0.00 0.00 60.65 62.25 2dl0 s ILE 66 Cb 0.00 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.44 2dl0 s ILE 66 CO 0.00 -0.06 0.00 0.35 0.00 0.00 0.00 174.94 175.23 2dl0 n THR 67 N 4.93 0.00 -1.51 2.92 -2.24 -1.26 -3.45 114.28 113.66 2dl0 n THR 67 Ca 0.12 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.60 2dl0 n THR 67 Cb 0.46 -0.69 -0.16 0.00 -2.10 0.00 0.00 70.33 67.84 2dl0 n THR 67 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2dl0 n GLU 68 N -2.01 0.19 0.33 -0.78 0.00 -1.26 -4.67 120.64 112.43 2dl0 n GLU 68 Ca 0.00 -0.10 0.09 0.00 0.00 0.00 0.00 57.16 57.15 2dl0 n GLU 68 Cb 0.43 -1.79 0.49 0.00 0.00 0.00 0.00 31.44 30.56 2dl0 n GLU 68 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2dl0 h GLU 69 N 12.57 0.00 0.02 3.44 3.07 -1.98 0.73 114.58 132.43 2dl0 h GLU 69 Ca -0.03 0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 58.56 2dl0 h GLU 69 Cb 1.20 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 29.13 2dl0 h GLU 69 CO 1.41 0.00 -1.06 -0.09 -1.40 0.00 0.00 179.01 177.87 2dl0 h ARG 70 N 0.00 0.63 0.15 2.33 9.65 -2.00 -2.85 114.38 122.29 2dl0 h ARG 70 Ca 0.00 -0.71 -0.22 0.00 -1.10 0.00 0.00 59.98 57.95 2dl0 h ARG 70 Cb 1.18 0.21 0.02 0.00 -1.39 0.00 0.00 29.97 29.99 2dl0 h ARG 70 CO 0.00 1.29 -1.00 0.45 2.80 0.00 0.00 179.97 183.52 2dl0 h HIS 71 N 0.34 0.59 -0.71 2.20 3.86 0.04 -3.15 115.15 118.32 2dl0 h HIS 71 Ca -0.13 -0.43 0.07 0.00 -1.16 0.00 0.00 60.37 58.73 2dl0 h HIS 71 Cb 1.72 -0.02 -0.06 0.00 1.06 0.00 0.00 27.41 30.10 2dl0 h HIS 71 CO 0.10 1.38 0.39 0.82 0.86 0.00 0.00 177.93 181.48 2dl0 h ILE 72 N -0.30 0.93 -0.67 2.45 2.04 -1.27 0.34 117.51 121.03 2dl0 h ILE 72 Ca -0.18 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.40 2dl0 h ILE 72 Cb 1.73 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 2dl0 h ILE 72 CO 0.15 0.13 0.25 0.03 0.00 0.00 0.00 178.15 178.71 2dl0 h ARG 73 N 0.69 1.02 -0.26 2.37 2.47 -1.62 -0.39 114.38 118.66 2dl0 h ARG 73 Ca 0.33 -0.20 -0.03 0.00 -1.26 0.00 0.00 59.98 58.82 2dl0 h ARG 73 Cb 0.26 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.41 2dl0 h ARG 73 CO -0.21 0.87 0.05 -0.22 0.56 0.00 0.00 179.97 181.01 2dl0 h LYS 74 N 0.97 0.43 0.06 0.04 3.64 -1.30 -0.40 116.57 120.00 2dl0 h LYS 74 Ca 0.22 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2dl0 h LYS 74 Cb 0.24 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2dl0 h LYS 74 CO -0.01 0.54 -0.03 -0.07 -2.27 0.00 0.00 179.45 177.60 2dl0 h LEU 75 N 0.25 -0.07 -1.30 5.20 3.38 -0.81 0.33 115.31 122.29 2dl0 h LEU 75 Ca 0.08 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.95 2dl0 h LEU 75 Cb 0.31 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 2dl0 h LEU 75 CO 0.00 0.07 0.48 -0.07 0.09 0.00 0.00 178.44 179.01 2dl0 h LEU 76 N -0.21 0.81 -0.13 1.67 3.38 -1.05 0.16 115.31 119.95 2dl0 h LEU 76 Ca -0.01 -0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.74 2dl0 h LEU 76 Cb 0.18 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.74 2dl0 h LEU 76 CO 0.01 0.58 -0.70 -1.28 0.09 0.00 0.00 178.44 177.15 2dl0 h SER 77 N 0.96 0.83 -0.05 -0.43 0.87 -0.81 -2.60 113.55 112.32 2dl0 h SER 77 Ca 0.27 -0.64 -0.10 0.00 -1.23 0.00 0.00 61.79 60.08 2dl0 h SER 77 Cb -0.09 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.61 2dl0 h SER 77 CO -0.06 1.34 -0.28 0.00 -0.53 0.00 0.00 176.83 177.30 2dl0 h ALA 78 N 0.51 1.06 -0.38 6.23 0.00 0.12 -2.75 119.26 124.05 2dl0 h ALA 78 Ca -0.05 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 2dl0 h ALA 78 Cb 1.33 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2dl0 h ALA 78 CO 0.14 0.57 -0.22 0.00 0.00 0.00 0.00 179.25 179.74 2dl0 h ALA 79 N 1.28 0.54 0.00 0.00 0.00 -0.71 -2.78 119.26 117.59 2dl0 h ALA 79 Ca 0.06 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 2dl0 h ALA 79 Cb 0.71 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 2dl0 h ALA 79 CO 0.05 0.52 -0.14 0.00 0.00 0.00 0.00 179.25 179.68 2dl0 h ARG 80 N 0.63 0.00 0.00 0.00 3.08 -1.35 -1.20 114.38 115.54 2dl0 h ARG 80 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2dl0 h ARG 80 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 2dl0 h ARG 80 CO 0.06 0.14 -0.22 1.28 -1.07 0.00 0.00 179.97 180.17 2dl0 n LEU 81 N -3.74 0.27 -4.55 3.04 4.77 -1.05 -4.72 117.00 111.02 2dl0 n LEU 81 Ca -0.02 0.30 -0.36 0.00 -0.03 0.00 0.00 56.01 55.90 2dl0 n LEU 81 Cb 0.25 -0.38 -0.04 0.00 -2.33 0.00 0.00 43.42 40.93 2dl0 n LEU 81 CO 0.31 0.03 1.45 0.12 -1.33 0.00 0.00 177.39 177.98 2dl0 s PHE 82 N -3.01 1.89 -0.58 -1.77 5.36 -0.45 -4.94 117.98 114.48 2dl0 s PHE 82 Ca 0.12 0.44 -0.21 0.00 -0.96 0.00 0.00 56.93 56.33 2dl0 s PHE 82 Cb 0.18 -4.23 0.07 0.00 -0.34 0.00 0.00 43.02 38.69 2dl0 s PHE 82 CO 0.61 -2.10 0.79 0.21 -1.46 0.00 0.00 175.22 173.27 2dl0 s LYS 83 N 6.61 3.13 0.40 10.12 2.20 -1.26 -4.91 119.74 136.02 2dl0 s LYS 83 Ca 0.60 -0.88 -0.24 0.00 -0.36 0.00 0.00 55.97 55.09 2dl0 s LYS 83 Cb -0.09 -4.17 -0.09 0.00 -1.51 0.00 0.00 37.83 31.97 2dl0 s LYS 83 CO 0.11 -1.50 1.09 -0.51 -0.36 0.00 0.00 175.35 174.18 2dl0 s LEU 84 N 3.24 4.16 0.52 5.43 1.43 -1.26 -5.02 118.68 127.19 2dl0 s LEU 84 Ca 0.19 2.14 -0.20 0.00 -1.03 0.00 0.00 54.13 55.22 2dl0 s LEU 84 Cb -0.19 -4.12 -0.06 0.00 0.03 0.00 0.00 46.19 41.85 2dl0 s LEU 84 CO 0.11 -0.55 1.14 -2.16 0.23 0.00 0.00 176.35 175.12 2dl0 s PRO 85 N -2.41 3.46 0.92 1.29 0.04 -1.26 -5.03 135.00 132.01 2dl0 s PRO 85 Ca 0.57 1.65 -0.12 0.00 0.04 0.00 0.00 61.00 63.15 2dl0 s PRO 85 Cb -0.25 -2.10 0.14 0.00 0.04 0.00 0.00 34.50 32.33 2dl0 s PRO 85 CO 0.31 -0.77 1.09 -1.25 0.04 0.00 0.00 177.00 176.42 2dl0 s PRO 86 N -3.14 1.08 0.00 0.56 0.04 -1.26 -5.08 135.00 127.20 2dl0 s PRO 86 Ca 0.70 0.76 0.00 0.00 0.04 0.00 0.00 61.00 62.51 2dl0 s PRO 86 Cb -0.25 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2dl0 s PRO 86 CO 0.29 -2.35 0.00 0.41 0.04 0.00 0.00 177.00 175.39 2dl0 n GLY 87 N -1.11 4.09 0.00 0.56 0.00 -1.26 -4.95 105.19 102.51 2dl0 n GLY 87 Ca 0.07 -1.45 0.08 0.00 0.00 0.00 0.00 46.02 44.71 2dl0 n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dl0 n PRO 88 N 0.00 0.36 -2.50 1.61 -0.04 -1.26 -4.93 135.00 128.23 2dl0 n PRO 88 Ca 0.00 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2dl0 n PRO 88 Cb 0.00 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.96 2dl0 n PRO 88 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2dl0 n GLU 89 N -1.13 -0.23 0.00 0.54 4.07 -1.26 -4.77 120.64 117.85 2dl0 n GLU 89 Ca 0.10 0.59 0.00 0.00 -0.06 0.00 0.00 57.16 57.79 2dl0 n GLU 89 Cb 0.08 -0.72 0.00 0.00 -0.06 0.00 0.00 31.44 30.74 2dl0 n GLU 89 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2dl0 n ALA 90 N 1.15 0.00 -1.77 4.31 0.00 -1.26 -5.14 120.51 117.80 2dl0 n ALA 90 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 2dl0 n ALA 90 Cb 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.80 2dl0 n ALA 90 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2dl0 s MET 91 N 0.00 3.60 0.15 0.00 -2.45 -1.26 -4.82 119.30 114.52 2dl0 s MET 91 Ca 0.00 1.72 0.00 0.00 -1.25 0.00 0.00 55.69 56.16 2dl0 s MET 91 Cb 0.00 -2.26 0.00 0.00 1.25 0.00 0.00 34.83 33.82 2dl0 s MET 91 CO 0.00 -0.67 0.00 -1.13 1.05 0.00 0.00 175.02 174.27 2dl0 n SER 92 N -0.78 -1.32 0.00 1.11 3.41 -1.26 -5.09 113.62 109.69 2dl0 n SER 92 Ca 0.09 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 2dl0 n SER 92 Cb 0.49 1.50 0.00 0.00 -0.26 0.00 0.00 64.21 65.94 2dl0 n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dl0 n GLY 93 N -1.19 -0.45 0.18 5.00 0.00 -1.26 -4.95 105.19 102.52 2dl0 n GLY 93 Ca 0.00 -1.09 -0.02 0.00 0.00 0.00 0.00 46.02 44.91 2dl0 n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dl0 h PRO 94 N 0.00 0.19 -5.13 1.61 0.13 -2.02 -3.42 132.00 123.36 2dl0 h PRO 94 Ca 0.00 -0.10 -0.62 0.00 -0.87 0.00 0.00 66.00 64.41 2dl0 h PRO 94 Cb 0.00 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 30.98 2dl0 h PRO 94 CO 0.00 0.62 -0.52 -1.54 -0.23 0.00 0.00 178.00 176.33 2dl0 s SER 95 N -6.88 5.97 0.76 1.44 1.04 -1.26 -5.08 113.70 109.68 2dl0 s SER 95 Ca -0.04 0.09 -0.12 0.00 0.48 0.00 0.00 55.95 56.37 2dl0 s SER 95 Cb 0.13 -2.07 0.05 0.00 0.10 0.00 0.00 66.02 64.23 2dl0 s SER 95 CO 0.77 0.09 1.10 -0.44 0.98 0.00 0.00 173.24 175.74 2dl0 s SER 96 N 0.91 4.51 0.00 7.02 0.01 -1.26 -4.97 113.70 119.92 2dl0 s SER 96 Ca 0.07 1.90 0.00 0.00 1.31 0.00 0.00 55.95 59.23 2dl0 s SER 96 Cb -0.13 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.57 2dl0 s SER 96 CO 0.03 -2.03 0.00 0.61 0.41 0.00 0.00 173.24 172.26