#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dl0 s SER 2 N 0.00 5.35 1.02 1.61 0.01 -1.26 -5.01 113.70 115.42 2dl0 s SER 2 Ca 0.00 1.42 -0.15 0.00 1.31 0.00 0.00 55.95 58.54 2dl0 s SER 2 Cb 0.00 -2.29 0.08 0.00 0.21 0.00 0.00 66.02 64.03 2dl0 s SER 2 CO 0.00 -1.44 0.35 -0.24 0.41 0.00 0.00 173.24 172.32 2dl0 n SER 3 N -3.11 -2.02 0.00 2.44 2.88 -1.26 -4.97 113.62 107.59 2dl0 n SER 3 Ca 0.07 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 2dl0 n SER 3 Cb 0.55 -1.14 0.00 0.00 -0.75 0.00 0.00 64.21 62.87 2dl0 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dl0 n GLY 4 N 1.57 0.76 2.66 0.46 0.00 -1.26 -5.10 105.19 104.28 2dl0 n GLY 4 Ca 0.05 -1.61 -0.27 0.00 0.00 0.00 0.00 46.02 44.18 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 0.00 2.83 0.16 1.61 0.15 -1.26 -5.12 113.70 112.06 2dl0 s SER 5 Ca 0.00 -0.85 -0.24 0.00 0.70 0.00 0.00 55.95 55.56 2dl0 s SER 5 Cb 0.00 -0.43 0.08 0.00 -1.71 0.00 0.00 66.02 63.96 2dl0 s SER 5 CO 0.00 -0.35 1.04 -0.94 1.20 0.00 0.00 173.24 174.19 2dl0 s SER 6 N 1.99 -0.06 0.00 5.45 1.04 -1.26 -5.18 113.70 115.68 2dl0 s SER 6 Ca 0.02 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.91 2dl0 s SER 6 Cb -0.16 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2dl0 s SER 6 CO -0.13 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.79 2dl0 n GLY 7 N -0.62 2.21 0.00 7.32 0.00 -1.26 -5.13 105.19 107.71 2dl0 n GLY 7 Ca -0.04 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.28 -1.65 0.00 -0.02 0.00 -1.26 -5.17 105.19 96.81 2dl0 n GLY 8 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 46.02 46.88 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 0.00 4.41 3.55 -0.02 0.00 -1.26 -5.03 105.19 106.84 2dl0 n GLY 9 Ca 0.00 -0.50 -0.14 0.00 0.00 0.00 0.00 46.02 45.38 2dl0 n GLY 9 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2dl0 n LEU 10 N 0.00 1.40 -2.74 0.99 7.94 -1.26 -4.66 117.00 118.66 2dl0 n LEU 10 Ca 0.00 -1.38 -0.10 0.00 -1.11 0.00 0.00 56.01 53.42 2dl0 n LEU 10 Cb 0.00 -1.52 0.03 0.00 0.53 0.00 0.00 43.42 42.45 2dl0 n LEU 10 CO 0.00 -2.50 -0.10 0.41 -1.11 0.00 0.00 177.39 174.09 2dl0 n THR 11 N 8.39 0.75 -3.43 1.96 -1.04 -1.26 -5.11 114.28 114.55 2dl0 n THR 11 Ca 0.50 -3.19 -0.38 0.00 -2.04 0.00 0.00 64.05 58.94 2dl0 n THR 11 Cb 0.39 0.55 -0.06 0.00 -1.82 0.00 0.00 70.33 69.40 2dl0 n THR 11 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2dl0 s GLU 12 N -2.81 3.99 0.01 -2.82 2.02 -1.26 -5.06 118.70 112.77 2dl0 s GLU 12 Ca 0.29 0.50 -0.27 0.00 0.02 0.00 0.00 54.97 55.50 2dl0 s GLU 12 Cb 0.44 -3.19 -0.04 0.00 0.10 0.00 0.00 34.13 31.44 2dl0 s GLU 12 CO 0.01 0.65 0.85 0.42 0.02 0.00 0.00 175.26 177.21 2dl0 s ILE 13 N -1.14 4.82 -0.15 -1.63 -1.09 -1.26 -4.94 121.20 115.82 2dl0 s ILE 13 Ca 0.27 1.78 -0.00 0.00 -2.23 0.00 0.00 60.65 60.47 2dl0 s ILE 13 Cb -0.17 -4.19 0.13 0.00 -1.58 0.00 0.00 42.46 36.64 2dl0 s ILE 13 CO 0.16 0.26 1.78 0.00 -1.23 0.00 0.00 174.94 175.91 2dl0 n ARG 15 N 0.66 -1.14 -3.94 0.00 0.63 -1.26 -5.05 116.66 106.56 2dl0 n ARG 15 Ca 0.15 1.26 -0.34 0.00 -0.92 0.00 0.00 57.85 58.01 2dl0 n ARG 15 Cb 0.61 -3.03 -0.05 0.00 0.45 0.00 0.00 32.46 30.44 2dl0 n ARG 15 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2dl0 s LYS 16 N -1.26 3.37 1.21 -0.14 2.20 -1.26 -5.11 119.74 118.75 2dl0 s LYS 16 Ca 0.06 -0.31 -0.19 0.00 -0.36 0.00 0.00 55.97 55.17 2dl0 s LYS 16 Cb -0.02 -3.07 0.29 0.00 -1.51 0.00 0.00 37.83 33.52 2dl0 s LYS 16 CO 0.31 0.69 1.11 -1.25 -0.36 0.00 0.00 175.35 175.86 2dl0 s PRO 17 N -1.70 -1.28 0.18 4.03 0.04 -1.26 -4.92 135.00 130.09 2dl0 s PRO 17 Ca 0.24 -0.08 -0.33 0.00 0.04 0.00 0.00 61.00 60.86 2dl0 s PRO 17 Cb -0.12 -1.59 -0.14 0.00 0.04 0.00 0.00 34.50 32.69 2dl0 s PRO 17 CO 0.15 -3.75 1.49 1.33 0.04 0.00 0.00 177.00 176.26 2dl0 n VAL 18 N -4.78 0.33 -2.73 -0.36 0.24 -1.26 -4.94 118.33 104.83 2dl0 n VAL 18 Ca 0.13 -0.08 -0.03 0.00 -2.04 0.00 0.00 64.34 62.32 2dl0 n VAL 18 Cb 0.60 -1.45 0.02 0.00 -1.47 0.00 0.00 33.84 31.54 2dl0 n VAL 18 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2dl0 s SER 19 N 0.65 -0.89 0.49 -1.34 0.15 -1.26 -5.01 113.70 106.49 2dl0 s SER 19 Ca 0.76 -1.04 0.27 0.00 0.70 0.00 0.00 55.95 56.64 2dl0 s SER 19 Cb -0.69 1.16 1.15 0.00 -1.71 0.00 0.00 66.02 65.93 2dl0 s SER 19 CO 0.43 -0.03 1.92 1.55 1.20 0.00 0.00 173.24 178.30 2dl0 h PRO 20 N 4.67 0.00 -2.01 5.44 0.13 -2.04 -3.47 132.00 134.73 2dl0 h PRO 20 Ca 0.03 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.02 2dl0 h PRO 20 Cb 1.14 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.30 2dl0 h PRO 20 CO -0.05 0.15 -0.21 0.41 -0.23 0.00 0.00 178.00 178.08 2dl0 n GLY 21 N -0.05 0.33 3.13 1.56 0.00 -1.26 -5.02 105.19 103.88 2dl0 n GLY 21 Ca -0.00 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 2dl0 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dl0 n ILE 23 N 4.55 0.83 -0.11 0.00 5.41 -1.26 -4.91 119.36 123.87 2dl0 n ILE 23 Ca -0.12 -0.21 -0.19 0.00 1.00 0.00 0.00 62.75 63.24 2dl0 n ILE 23 Cb 0.43 -0.78 -0.09 0.00 -0.71 0.00 0.00 39.64 38.48 2dl0 n ILE 23 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2dl0 n SER 24 N 2.02 2.05 -3.69 4.38 2.88 -1.26 -5.02 113.62 114.99 2dl0 n SER 24 Ca 0.15 0.04 -0.24 0.00 -1.33 0.00 0.00 58.87 57.50 2dl0 n SER 24 Cb 0.24 -0.48 -0.08 0.00 -0.75 0.00 0.00 64.21 63.14 2dl0 n SER 24 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dl0 n SER 25 N -3.49 0.46 -0.12 -3.46 3.41 -1.26 -4.93 113.62 104.24 2dl0 n SER 25 Ca -0.41 -3.24 -0.05 0.00 -0.26 0.00 0.00 58.87 54.90 2dl0 n SER 25 Cb 0.88 1.32 0.01 0.00 -0.26 0.00 0.00 64.21 66.16 2dl0 n SER 25 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2dl0 h VAL 26 N 1.85 0.45 -0.21 -3.33 2.07 -1.86 -2.51 116.25 112.72 2dl0 h VAL 26 Ca -0.29 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.26 2dl0 h VAL 26 Cb 1.24 0.45 -0.06 0.00 -1.52 0.00 0.00 31.29 31.40 2dl0 h VAL 26 CO 0.45 0.00 -0.47 0.77 0.02 0.00 0.00 177.57 178.34 2dl0 h SER 27 N -0.10 -1.53 -1.32 0.57 4.64 -1.94 0.47 113.55 114.34 2dl0 h SER 27 Ca 0.20 0.19 0.38 0.00 -0.47 0.00 0.00 61.79 62.09 2dl0 h SER 27 Cb 0.40 0.61 -0.07 0.00 -0.31 0.00 0.00 62.40 63.03 2dl0 h SER 27 CO -0.47 -0.39 0.92 0.44 -0.87 0.00 0.00 176.83 176.47 2dl0 h ASP 28 N -0.44 0.10 0.24 4.97 5.19 -1.87 0.53 116.42 125.15 2dl0 h ASP 28 Ca 0.04 0.03 -0.34 0.00 -0.62 0.00 0.00 57.03 56.14 2dl0 h ASP 28 Cb 0.55 0.02 0.03 0.00 0.18 0.00 0.00 39.33 40.11 2dl0 h ASP 28 CO -0.43 -0.01 -1.52 -0.25 -3.12 0.00 0.00 179.24 173.91 2dl0 h TRP 29 N 0.07 0.94 -0.14 4.55 7.01 -0.14 -2.69 115.95 125.55 2dl0 h TRP 29 Ca 0.66 -0.69 -0.08 0.00 2.11 0.00 0.00 58.89 60.90 2dl0 h TRP 29 Cb 2.45 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 29.46 2dl0 h TRP 29 CO -0.00 1.59 -0.26 -0.07 -2.79 0.00 0.00 178.44 176.90 2dl0 h LEU 30 N 0.13 0.25 -0.02 0.65 3.38 0.42 -2.87 115.31 117.24 2dl0 h LEU 30 Ca -0.27 -0.07 -0.26 0.00 0.09 0.00 0.00 57.88 57.37 2dl0 h LEU 30 Cb 2.15 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 42.85 2dl0 h LEU 30 CO 0.26 0.51 -1.10 0.40 0.09 0.00 0.00 178.44 178.60 2dl0 h ILE 31 N 0.23 1.41 0.00 1.22 2.04 -0.71 0.32 117.51 122.01 2dl0 h ILE 31 Ca 0.04 -2.64 0.00 0.00 1.00 0.00 0.00 64.86 63.25 2dl0 h ILE 31 Cb 0.59 2.64 0.00 0.00 -0.74 0.00 0.00 36.82 39.31 2dl0 h ILE 31 CO 0.04 0.79 0.00 -1.28 0.00 0.00 0.00 178.15 177.70 2dl0 h SER 32 N 0.19 0.00 0.00 1.72 0.87 -1.26 -1.83 113.55 113.24 2dl0 h SER 32 Ca -0.12 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.38 2dl0 h SER 32 Cb 1.77 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.72 2dl0 h SER 32 CO 0.19 0.00 -2.07 2.30 -0.53 0.00 0.00 176.83 176.72 2dl0 n ILE 33 N -2.57 0.25 -0.35 2.23 -5.35 -1.12 -5.00 119.36 107.45 2dl0 n ILE 33 Ca -0.00 -0.56 0.00 0.00 -0.27 0.00 0.00 62.75 61.91 2dl0 n ILE 33 Cb 0.15 -0.08 0.00 0.00 -1.74 0.00 0.00 39.64 37.97 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 1.35 1.70 2.65 3.28 0.00 -0.69 -5.02 105.19 108.46 2dl0 n GLY 34 Ca -0.09 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 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 2.00 0.00 0.99 4.77 0.07 -4.88 117.00 119.95 2dl0 n LEU 35 Ca 0.00 -3.77 0.07 0.00 -0.03 0.00 0.00 56.01 52.28 2dl0 n LEU 35 Cb 0.09 0.31 0.36 0.00 -2.33 0.00 0.00 43.42 41.84 2dl0 n LEU 35 CO 0.00 1.54 0.71 -0.81 -1.33 0.00 0.00 177.39 177.49 2dl0 n PRO 36 N -0.26 0.16 0.00 3.23 -0.04 -1.18 -2.65 135.00 134.26 2dl0 n PRO 36 Ca 0.14 0.17 0.11 0.00 -0.04 0.00 0.00 63.50 63.87 2dl0 n PRO 36 Cb 0.80 -1.50 0.64 0.00 -0.04 0.00 0.00 33.50 33.40 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 -1.33 0.70 -0.00 0.54 0.00 -1.26 -2.41 117.12 113.35 2dl0 n MET 37 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 57.70 57.80 2dl0 n MET 37 Cb 0.13 -1.48 -0.06 0.00 0.00 0.00 0.00 33.22 31.81 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 -0.98 0.00 -0.13 3.17 4.01 -1.08 -4.63 117.16 117.52 2dl0 n TYR 38 Ca 0.16 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.87 2dl0 n TYR 38 Cb 0.07 -0.13 -0.03 0.00 -0.31 0.00 0.00 39.34 38.94 2dl0 n TYR 38 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2dl0 n ALA 39 N -1.62 -0.20 0.10 -0.72 0.00 -1.01 0.64 120.51 117.71 2dl0 n ALA 39 Ca -0.01 0.26 0.01 0.00 0.00 0.00 0.00 53.44 53.71 2dl0 n ALA 39 Cb 0.18 0.19 0.35 0.00 0.00 0.00 0.00 19.45 20.16 2dl0 n ALA 39 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2dl0 h GLY 40 N 0.00 0.28 0.90 0.00 0.00 -1.86 -1.70 103.07 100.69 2dl0 h GLY 40 Ca 0.05 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 2dl0 h GLY 40 CO -0.29 0.17 -0.48 -0.84 0.00 0.00 0.00 176.54 175.10 2dl0 h THR 41 N 0.24 0.00 -0.71 4.70 2.02 -0.05 -1.96 112.91 117.15 2dl0 h THR 41 Ca 0.04 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.20 2dl0 h THR 41 Cb 0.47 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 2dl0 h THR 41 CO 0.03 0.00 0.34 -0.07 0.37 0.00 0.00 175.52 176.19 2dl0 h LEU 42 N -1.27 0.93 -0.87 2.58 3.38 -0.45 -2.66 115.31 116.94 2dl0 h LEU 42 Ca -0.12 -0.13 0.17 0.00 0.09 0.00 0.00 57.88 57.89 2dl0 h LEU 42 Cb 0.99 -0.24 -0.11 0.00 0.09 0.00 0.00 40.66 41.40 2dl0 h LEU 42 CO 0.17 0.80 0.42 -1.28 0.09 0.00 0.00 178.44 178.64 2dl0 h SER 43 N 0.99 0.46 -0.14 -0.43 0.87 -1.22 0.22 113.55 114.29 2dl0 h SER 43 Ca 0.24 0.11 -0.06 0.00 -1.23 0.00 0.00 61.79 60.86 2dl0 h SER 43 Cb 0.12 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 2dl0 h SER 43 CO -0.03 0.14 -0.09 0.74 -0.53 0.00 0.00 176.83 177.06 2dl0 h THR 44 N 0.54 1.21 0.00 2.23 2.02 -1.00 -2.02 112.91 115.89 2dl0 h THR 44 Ca 0.50 -0.92 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 2dl0 h THR 44 Cb 0.81 1.10 -0.00 0.00 -1.74 0.00 0.00 68.15 68.32 2dl0 h THR 44 CO -0.42 0.30 -0.02 0.00 0.37 0.00 0.00 175.52 175.75 2dl0 h ALA 45 N 1.47 1.00 0.00 6.16 0.00 -0.52 -3.46 119.26 123.92 2dl0 h ALA 45 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2dl0 h ALA 45 Cb 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2dl0 h ALA 45 CO 0.02 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.70 2dl0 n GLY 46 N 0.32 1.25 3.56 0.00 0.00 -0.60 -5.06 105.19 104.67 2dl0 n GLY 46 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.15 1.50 -0.01 1.61 0.08 -0.52 -4.48 117.98 115.00 2dl0 s PHE 47 Ca 0.00 1.31 0.01 0.00 0.12 0.00 0.00 56.93 58.38 2dl0 s PHE 47 Cb 0.00 -3.73 -0.02 0.00 -0.57 0.00 0.00 43.02 38.70 2dl0 s PHE 47 CO 0.00 -1.53 0.01 -1.13 -0.10 0.00 0.00 175.22 172.47 2dl0 n SER 48 N 16.42 4.66 -4.93 1.36 3.41 -1.26 -3.57 113.62 129.70 2dl0 n SER 48 Ca 0.43 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.78 2dl0 n SER 48 Cb 0.45 0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 65.00 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 -2.04 5.22 -1.35 6.66 -4.23 -1.26 -4.47 115.64 114.15 2dl0 s THR 49 Ca -0.01 -0.45 0.27 0.00 -1.18 0.00 0.00 61.69 60.33 2dl0 s THR 49 Cb 0.00 -3.75 0.25 0.00 1.34 0.00 0.00 72.50 70.34 2dl0 s THR 49 CO 0.06 -0.20 1.68 0.18 -0.54 0.00 0.00 174.62 175.81 2dl0 n LEU 50 N -0.76 0.50 0.21 4.79 4.77 -1.26 -3.61 117.00 121.63 2dl0 n LEU 50 Ca -0.05 0.04 0.09 0.00 -0.03 0.00 0.00 56.01 56.06 2dl0 n LEU 50 Cb 0.54 -0.25 0.36 0.00 -2.33 0.00 0.00 43.42 41.74 2dl0 n LEU 50 CO 0.48 0.10 0.75 0.28 -1.33 0.00 0.00 177.39 177.68 2dl0 h SER 51 N 0.41 0.00 0.32 -1.43 0.02 -2.01 -2.91 113.55 107.95 2dl0 h SER 51 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2dl0 h SER 51 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2dl0 h SER 51 CO 0.00 0.23 -0.76 0.00 -1.14 0.00 0.00 176.83 175.17 2dl0 n GLN 52 N -3.30 0.05 0.43 3.45 10.64 -1.24 -4.36 117.38 123.06 2dl0 n GLN 52 Ca 0.01 -0.00 -0.19 0.00 -1.83 0.00 0.00 57.00 54.99 2dl0 n GLN 52 Cb 0.49 -1.52 -0.09 0.00 -0.86 0.00 0.00 30.24 28.26 2dl0 n GLN 52 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 2dl0 h VAL 53 N 0.00 0.14 0.00 -0.39 2.07 -1.65 -2.18 116.25 114.24 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 0.54 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 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 -5.58 0.49 -0.35 1.57 -0.04 -1.25 -2.06 135.00 127.77 2dl0 n PRO 54 Ca -0.15 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.40 2dl0 n PRO 54 Cb 0.46 -1.46 0.22 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 -0.96 3.51 -3.23 3.54 2.88 -0.83 -4.56 113.62 113.97 2dl0 n SER 55 Ca 0.11 -2.90 -0.25 0.00 -1.33 0.00 0.00 58.87 54.50 2dl0 n SER 55 Cb 0.05 -0.48 0.24 0.00 -0.75 0.00 0.00 64.21 63.27 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 -0.55 0.00 -3.64 2.46 4.77 -0.88 -5.04 117.00 114.13 2dl0 n LEU 56 Ca 0.19 -0.71 -0.07 0.00 -0.03 0.00 0.00 56.01 55.39 2dl0 n LEU 56 Cb 0.79 -0.84 -0.07 0.00 -2.33 0.00 0.00 43.42 40.97 2dl0 n LEU 56 CO 0.12 -2.63 0.81 -0.44 -1.33 0.00 0.00 177.39 173.92 2dl0 s SER 57 N -2.81 -0.38 0.36 -1.43 0.01 -1.26 -4.96 113.70 103.23 2dl0 s SER 57 Ca 0.54 0.71 0.19 0.00 1.31 0.00 0.00 55.95 58.70 2dl0 s SER 57 Cb -0.10 0.80 1.27 0.00 0.21 0.00 0.00 66.02 68.21 2dl0 s SER 57 CO 0.45 -0.12 1.59 -0.74 0.41 0.00 0.00 173.24 174.83 2dl0 h HIS 58 N 4.35 0.75 -0.05 2.43 2.76 -1.97 1.26 115.15 124.67 2dl0 h HIS 58 Ca -0.28 0.04 -0.22 0.00 -2.20 0.00 0.00 60.37 57.71 2dl0 h HIS 58 Cb 1.18 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.99 2dl0 h HIS 58 CO 0.26 -0.45 -0.86 1.15 -1.30 0.00 0.00 177.93 176.73 2dl0 h THR 59 N 0.02 1.35 -0.21 6.26 2.02 -1.98 -2.77 112.91 117.61 2dl0 h THR 59 Ca 0.82 -2.24 0.04 0.00 0.77 0.00 0.00 66.41 65.80 2dl0 h THR 59 Cb 2.11 2.24 -0.04 0.00 -1.74 0.00 0.00 68.15 70.71 2dl0 h THR 59 CO -0.77 0.68 -0.05 0.00 0.37 0.00 0.00 175.52 175.75 2dl0 h LEU 61 N 0.00 0.41 -1.43 0.00 3.38 -1.39 -2.65 115.31 113.64 2dl0 h LEU 61 Ca 0.10 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2dl0 h LEU 61 Cb 0.15 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2dl0 h LEU 61 CO -0.21 0.69 -0.28 1.56 0.09 0.00 0.00 178.44 180.29 2dl0 h GLN 62 N 0.36 0.01 -0.16 1.13 1.08 -1.06 -1.34 115.11 115.13 2dl0 h GLN 62 Ca 0.05 -0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.13 2dl0 h GLN 62 Cb 0.68 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.10 2dl0 h GLN 62 CO 0.05 0.29 -0.42 0.93 -0.95 0.00 0.00 178.83 178.73 2dl0 h GLU 63 N 0.01 0.38 0.00 1.46 5.08 -0.74 -2.82 114.58 117.94 2dl0 h GLU 63 Ca -0.00 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 2dl0 h GLU 63 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2dl0 h GLU 63 CO 0.04 0.74 -0.38 0.00 -1.00 0.00 0.00 179.01 178.40 2dl0 h ALA 64 N 1.24 0.94 0.00 3.43 0.00 -1.40 -3.46 119.26 120.00 2dl0 h ALA 64 Ca 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2dl0 h ALA 64 Cb 0.88 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2dl0 h ALA 64 CO 0.07 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.21 2dl0 n GLY 65 N 0.40 0.56 3.70 0.00 0.00 -1.07 -4.99 105.19 103.79 2dl0 n GLY 65 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.34 4.56 0.00 -0.61 1.01 -0.55 -4.87 121.20 119.40 2dl0 s ILE 66 Ca 0.00 1.84 0.00 0.00 0.00 0.00 0.00 60.65 62.49 2dl0 s ILE 66 Cb 0.00 -4.18 0.00 0.00 0.01 0.00 0.00 42.46 38.29 2dl0 s ILE 66 CO 0.00 0.05 0.00 0.35 0.00 0.00 0.00 174.94 175.34 2dl0 n THR 67 N 4.33 0.00 -1.48 2.92 -2.24 -1.26 -3.52 114.28 113.02 2dl0 n THR 67 Ca 0.09 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.72 2dl0 n THR 67 Cb 0.48 -0.45 -0.12 0.00 -2.10 0.00 0.00 70.33 68.14 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 -1.36 0.25 -0.65 -0.78 0.00 -1.26 -4.69 120.64 112.15 2dl0 n GLU 68 Ca 0.00 -0.59 0.51 0.00 0.00 0.00 0.00 57.16 57.08 2dl0 n GLU 68 Cb 0.26 -2.53 0.82 0.00 0.00 0.00 0.00 31.44 29.98 2dl0 n GLU 68 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2dl0 h GLU 69 N 11.58 0.00 -0.00 3.44 4.81 -1.98 0.72 114.58 133.15 2dl0 h GLU 69 Ca 0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2dl0 h GLU 69 Cb 1.04 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.42 2dl0 h GLU 69 CO 1.21 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 179.49 2dl0 h ARG 70 N 0.00 0.00 -0.15 1.92 -0.00 -2.00 -1.06 114.38 113.09 2dl0 h ARG 70 Ca 0.88 -0.00 -0.19 0.00 -0.50 0.00 0.00 59.98 60.17 2dl0 h ARG 70 Cb 3.55 -0.00 0.01 0.00 0.00 0.00 0.00 29.97 33.53 2dl0 h ARG 70 CO -0.01 0.21 -0.66 0.45 0.00 0.00 0.00 179.97 179.96 2dl0 h HIS 71 N -0.21 0.95 -0.65 3.04 3.86 -0.02 -2.84 115.15 119.28 2dl0 h HIS 71 Ca 0.00 -0.41 0.06 0.00 -1.16 0.00 0.00 60.37 58.86 2dl0 h HIS 71 Cb 0.21 -0.15 -0.05 0.00 1.06 0.00 0.00 27.41 28.48 2dl0 h HIS 71 CO -0.00 1.22 0.36 0.82 0.86 0.00 0.00 177.93 181.19 2dl0 h ILE 72 N 0.41 0.97 -0.27 2.45 2.04 -1.01 0.04 117.51 122.13 2dl0 h ILE 72 Ca -0.04 -0.23 -0.09 0.00 1.00 0.00 0.00 64.86 65.50 2dl0 h ILE 72 Cb 1.29 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 2dl0 h ILE 72 CO 0.14 0.12 -0.20 0.03 0.00 0.00 0.00 178.15 178.24 2dl0 h ARG 73 N 0.67 0.50 -0.42 2.37 3.08 -1.22 -1.04 114.38 118.31 2dl0 h ARG 73 Ca 0.29 -0.17 -0.14 0.00 0.07 0.00 0.00 59.98 60.03 2dl0 h ARG 73 Cb 0.17 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2dl0 h ARG 73 CO -0.18 0.67 -0.30 -0.22 -1.07 0.00 0.00 179.97 178.88 2dl0 h LYS 74 N 0.45 0.93 -0.12 0.04 3.64 -1.04 -1.73 116.57 118.74 2dl0 h LYS 74 Ca 0.07 -0.44 -0.07 0.00 -1.27 0.00 0.00 60.65 58.95 2dl0 h LYS 74 Cb 0.60 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2dl0 h LYS 74 CO 0.04 1.09 -0.18 -0.07 -2.27 0.00 0.00 179.45 178.07 2dl0 h LEU 75 N 0.78 0.37 -1.28 5.20 3.38 -0.82 -1.36 115.31 121.58 2dl0 h LEU 75 Ca 0.09 -0.53 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 2dl0 h LEU 75 Cb 0.87 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 2dl0 h LEU 75 CO 0.08 0.82 0.39 -0.07 0.09 0.00 0.00 178.44 179.75 2dl0 h LEU 76 N -0.08 0.78 -0.19 1.67 3.38 -1.20 0.18 115.31 119.84 2dl0 h LEU 76 Ca 0.01 -0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.74 2dl0 h LEU 76 Cb 0.74 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.30 2dl0 h LEU 76 CO 0.04 0.60 -0.65 -1.28 0.09 0.00 0.00 178.44 177.24 2dl0 h SER 77 N 0.90 0.89 0.02 -0.43 0.87 -1.28 -2.80 113.55 111.72 2dl0 h SER 77 Ca 0.24 -0.60 -0.13 0.00 -1.23 0.00 0.00 61.79 60.07 2dl0 h SER 77 Cb -0.03 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.66 2dl0 h SER 77 CO -0.04 1.34 -0.42 0.00 -0.53 0.00 0.00 176.83 177.17 2dl0 h ALA 78 N 0.58 0.88 -0.58 6.23 0.00 -0.81 -2.89 119.26 122.68 2dl0 h ALA 78 Ca -0.03 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 2dl0 h ALA 78 Cb 1.27 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 2dl0 h ALA 78 CO 0.14 0.64 0.14 0.00 0.00 0.00 0.00 179.25 180.17 2dl0 h ALA 79 N 1.14 0.76 0.00 0.00 0.00 -0.66 -2.11 119.26 118.39 2dl0 h ALA 79 Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2dl0 h ALA 79 Cb 0.91 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2dl0 h ALA 79 CO 0.08 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.80 2dl0 h ARG 80 N 0.84 0.00 -0.22 0.00 3.08 -1.42 -2.01 114.38 114.64 2dl0 h ARG 80 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2dl0 h ARG 80 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2dl0 h ARG 80 CO 0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 2dl0 n LEU 81 N -2.59 2.80 -4.52 3.04 4.77 -0.83 -4.84 117.00 114.83 2dl0 n LEU 81 Ca 0.01 -1.12 -0.43 0.00 -0.03 0.00 0.00 56.01 54.45 2dl0 n LEU 81 Cb 0.26 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 2dl0 n LEU 81 CO 0.23 0.56 0.84 0.12 -1.33 0.00 0.00 177.39 177.81 2dl0 s PHE 82 N -1.72 2.68 -1.14 -1.77 5.36 -0.75 -4.96 117.98 115.67 2dl0 s PHE 82 Ca 0.35 -0.09 -0.09 0.00 -0.96 0.00 0.00 56.93 56.14 2dl0 s PHE 82 Cb 0.21 -4.24 0.26 0.00 -0.34 0.00 0.00 43.02 38.90 2dl0 s PHE 82 CO 0.30 -1.54 1.31 1.17 -1.46 0.00 0.00 175.22 175.01 2dl0 n LYS 83 N 7.86 3.72 -2.33 10.12 4.81 -1.26 -4.86 118.16 136.23 2dl0 n LYS 83 Ca 0.01 -4.30 -0.37 0.00 -0.87 0.00 0.00 58.31 52.78 2dl0 n LYS 83 Cb 0.47 -2.66 -0.02 0.00 0.02 0.00 0.00 35.03 32.85 2dl0 n LYS 83 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 2dl0 s LEU 84 N -1.01 4.09 0.55 3.14 0.05 -1.26 -5.01 118.68 119.23 2dl0 s LEU 84 Ca 0.34 2.26 -0.19 0.00 0.05 0.00 0.00 54.13 56.59 2dl0 s LEU 84 Cb -0.04 -4.16 -0.06 0.00 -2.05 0.00 0.00 46.19 39.88 2dl0 s LEU 84 CO -0.02 -0.76 1.13 -2.16 -0.55 0.00 0.00 176.35 173.99 2dl0 s PRO 85 N -2.54 3.33 0.53 1.48 0.04 -1.26 -5.01 135.00 131.57 2dl0 s PRO 85 Ca 0.60 1.60 -0.20 0.00 0.04 0.00 0.00 61.00 63.04 2dl0 s PRO 85 Cb -0.28 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 32.20 2dl0 s PRO 85 CO 0.34 -0.86 1.13 -1.25 0.04 0.00 0.00 177.00 176.40 2dl0 s PRO 86 N -3.33 3.42 0.00 0.56 0.04 -1.26 -5.06 135.00 129.38 2dl0 s PRO 86 Ca 0.72 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.40 2dl0 s PRO 86 Cb -0.24 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.24 2dl0 s PRO 86 CO 0.28 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 176.93 2dl0 n GLY 87 N 0.20 4.38 0.00 0.56 0.00 -1.26 -4.97 105.19 104.10 2dl0 n GLY 87 Ca 0.11 -1.45 0.07 0.00 0.00 0.00 0.00 46.02 44.75 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 0.09 -3.27 1.61 -0.04 -1.26 -4.36 135.00 127.77 2dl0 n PRO 88 Ca 0.00 0.21 -0.06 0.00 -0.04 0.00 0.00 63.50 63.61 2dl0 n PRO 88 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 2dl0 n PRO 88 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2dl0 s GLU 89 N -2.82 0.45 -0.22 0.54 2.56 -1.26 -5.14 118.70 112.80 2dl0 s GLU 89 Ca 0.10 0.25 -0.29 0.00 0.00 0.00 0.00 54.97 55.03 2dl0 s GLU 89 Cb 0.10 -0.17 0.15 0.00 2.00 0.00 0.00 34.13 36.20 2dl0 s GLU 89 CO 0.24 -1.02 1.14 0.00 -0.56 0.00 0.00 175.26 175.07 2dl0 s ALA 90 N 2.61 -2.01 0.73 6.30 0.00 -1.26 -5.06 121.76 123.07 2dl0 s ALA 90 Ca 0.10 1.72 -0.16 0.00 0.00 0.00 0.00 51.96 53.62 2dl0 s ALA 90 Cb -0.12 -1.10 -0.00 0.00 0.00 0.00 0.00 23.12 21.89 2dl0 s ALA 90 CO -0.29 -0.27 0.82 0.00 0.00 0.00 0.00 175.76 176.03 2dl0 n MET 91 N 0.86 0.39 -4.19 0.00 0.00 -1.26 -4.92 117.12 108.00 2dl0 n MET 91 Ca -0.07 0.19 -0.26 0.00 0.00 0.00 0.00 57.70 57.55 2dl0 n MET 91 Cb 0.58 -2.09 -0.07 0.00 0.00 0.00 0.00 33.22 31.64 2dl0 n MET 91 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2dl0 s SER 92 N -1.62 4.38 0.00 3.17 0.15 -1.26 -4.95 113.70 113.57 2dl0 s SER 92 Ca 0.70 -1.17 0.00 0.00 0.70 0.00 0.00 55.95 56.18 2dl0 s SER 92 Cb -0.34 -0.28 0.00 0.00 -1.71 0.00 0.00 66.02 63.69 2dl0 s SER 92 CO 0.53 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.95 2dl0 n GLY 93 N -1.28 2.80 3.71 9.45 0.00 -1.26 -5.09 105.19 113.52 2dl0 n GLY 93 Ca -0.03 -1.68 -0.29 0.00 0.00 0.00 0.00 46.02 44.01 2dl0 n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dl0 s PRO 94 N -4.31 1.05 -0.02 1.61 0.04 -1.26 -5.00 135.00 127.12 2dl0 s PRO 94 Ca 0.00 0.74 -0.23 0.00 0.04 0.00 0.00 61.00 61.56 2dl0 s PRO 94 Cb 0.00 -1.79 -0.15 0.00 0.04 0.00 0.00 34.50 32.59 2dl0 s PRO 94 CO 0.00 -2.36 1.05 1.03 0.04 0.00 0.00 177.00 176.75 2dl0 h SER 95 N -1.63 -0.32 -3.67 6.66 0.87 -2.05 -3.45 113.55 109.96 2dl0 h SER 95 Ca -0.51 -0.21 -0.67 0.00 -1.23 0.00 0.00 61.79 59.17 2dl0 h SER 95 Cb 1.29 0.08 -0.19 0.00 -0.44 0.00 0.00 62.40 63.15 2dl0 h SER 95 CO 0.55 0.12 -0.81 -0.94 -0.53 0.00 0.00 176.83 175.23 2dl0 s SER 96 N -5.18 3.81 0.00 6.23 1.04 -1.26 -5.31 113.70 113.03 2dl0 s SER 96 Ca -0.13 -0.60 0.24 0.00 0.48 0.00 0.00 55.95 55.94 2dl0 s SER 96 Cb 0.01 -0.50 1.46 0.00 0.10 0.00 0.00 66.02 67.10 2dl0 s SER 96 CO 0.49 0.17 1.82 0.61 0.98 0.00 0.00 173.24 177.31