#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 5.29 -0.02 1.61 0.15 -1.26 -5.04 113.70 114.43 2dl0 s SER 2 Ca 0.00 2.29 -0.29 0.00 0.70 0.00 0.00 55.95 58.65 2dl0 s SER 2 Cb 0.00 -2.59 0.09 0.00 -1.71 0.00 0.00 66.02 61.81 2dl0 s SER 2 CO 0.00 -1.52 0.76 -0.44 1.20 0.00 0.00 173.24 173.24 2dl0 s SER 3 N -1.75 -0.54 0.00 5.45 0.01 -1.26 -5.18 113.70 110.43 2dl0 s SER 3 Ca 0.75 0.41 0.00 0.00 1.31 0.00 0.00 55.95 58.42 2dl0 s SER 3 Cb -0.27 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.44 2dl0 s SER 3 CO 0.32 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 173.96 2dl0 n GLY 4 N 0.46 2.34 0.00 3.44 0.00 -1.26 -5.16 105.19 105.01 2dl0 n GLY 4 Ca -0.15 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 43.93 2dl0 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dl0 n SER 5 N 0.00 0.00 -1.42 1.61 2.88 -1.26 -5.17 113.62 110.26 2dl0 n SER 5 Ca 0.00 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.71 2dl0 n SER 5 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 2dl0 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dl0 n SER 6 N 0.00 -7.91 -3.52 -3.46 7.64 -1.26 -5.05 113.62 100.06 2dl0 n SER 6 Ca 0.00 1.22 -0.09 0.00 1.01 0.00 0.00 58.87 61.01 2dl0 n SER 6 Cb 0.00 -4.76 -0.03 0.00 -1.01 0.00 0.00 64.21 58.42 2dl0 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dl0 s GLY 7 N -7.13 -0.43 0.00 0.23 0.00 -1.26 -5.17 107.32 93.56 2dl0 s GLY 7 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 44.72 45.97 2dl0 s GLY 7 CO 0.00 0.51 0.00 0.61 0.00 0.00 0.00 173.10 174.22 2dl0 n GLY 8 N 0.01 1.04 3.53 0.20 0.00 -1.26 -5.13 105.19 103.58 2dl0 n GLY 8 Ca -0.09 -2.24 -0.17 0.00 0.00 0.00 0.00 46.02 43.52 2dl0 n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dl0 s GLY 9 N 0.00 -0.53 0.31 -0.02 0.00 -1.26 -5.18 107.32 100.64 2dl0 s GLY 9 Ca 0.00 1.46 -0.11 0.00 0.00 0.00 0.00 44.72 46.07 2dl0 s GLY 9 CO 0.00 1.01 0.58 1.08 0.00 0.00 0.00 173.10 175.76 2dl0 s LEU 10 N -1.11 0.40 -0.63 0.66 1.43 -1.26 -5.12 118.68 113.06 2dl0 s LEU 10 Ca -0.09 -1.12 -0.06 0.00 -1.03 0.00 0.00 54.13 51.83 2dl0 s LEU 10 Cb -0.00 2.03 0.16 0.00 0.03 0.00 0.00 46.19 48.41 2dl0 s LEU 10 CO 0.08 -1.35 0.48 -0.89 0.23 0.00 0.00 176.35 174.90 2dl0 s THR 11 N -3.29 4.11 -0.30 5.49 2.01 -1.26 -4.97 115.64 117.44 2dl0 s THR 11 Ca 0.22 -2.66 -0.07 0.00 0.31 0.00 0.00 61.69 59.49 2dl0 s THR 11 Cb -0.02 -3.66 0.19 0.00 0.01 0.00 0.00 72.50 69.02 2dl0 s THR 11 CO 0.13 -0.88 0.89 -0.70 -0.69 0.00 0.00 174.62 173.37 2dl0 s GLU 12 N 0.24 0.30 0.06 4.92 2.56 -1.26 -5.14 118.70 120.37 2dl0 s GLU 12 Ca 0.15 0.39 -0.31 0.00 0.00 0.00 0.00 54.97 55.20 2dl0 s GLU 12 Cb -0.19 0.20 -0.07 0.00 2.00 0.00 0.00 34.13 36.07 2dl0 s GLU 12 CO -0.04 -0.47 1.43 0.42 -0.56 0.00 0.00 175.26 176.04 2dl0 s ILE 13 N 2.92 3.45 -0.21 -3.70 1.09 -1.26 -4.30 121.20 119.18 2dl0 s ILE 13 Ca 0.15 0.94 -0.08 0.00 -1.10 0.00 0.00 60.65 60.57 2dl0 s ILE 13 Cb -0.07 -3.61 0.03 0.00 -1.06 0.00 0.00 42.46 37.75 2dl0 s ILE 13 CO -0.20 0.03 0.16 0.00 -0.10 0.00 0.00 174.94 174.83 2dl0 n ARG 15 N 1.44 3.07 -4.85 0.00 0.63 -1.26 -5.05 116.66 110.63 2dl0 n ARG 15 Ca -0.27 -4.20 -0.31 0.00 -0.92 0.00 0.00 57.85 52.15 2dl0 n ARG 15 Cb 0.43 -2.08 -0.14 0.00 0.45 0.00 0.00 32.46 31.12 2dl0 n ARG 15 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2dl0 s LYS 16 N -3.51 1.97 0.88 -0.14 1.02 -1.26 -5.13 119.74 113.56 2dl0 s LYS 16 Ca 0.45 -1.02 -0.11 0.00 0.02 0.00 0.00 55.97 55.30 2dl0 s LYS 16 Cb 0.41 -2.08 0.12 0.00 -0.52 0.00 0.00 37.83 35.75 2dl0 s LYS 16 CO -0.10 0.53 1.09 -1.25 -0.92 0.00 0.00 175.35 174.71 2dl0 s PRO 17 N -1.22 1.41 -0.40 -1.68 0.04 -1.26 -5.06 135.00 126.83 2dl0 s PRO 17 Ca 0.13 0.87 0.02 0.00 0.04 0.00 0.00 61.00 62.06 2dl0 s PRO 17 Cb -0.10 -1.82 0.19 0.00 0.04 0.00 0.00 34.50 32.80 2dl0 s PRO 17 CO 0.03 -2.15 0.80 0.08 0.04 0.00 0.00 177.00 175.81 2dl0 s VAL 18 N -2.93 -0.72 -0.48 -0.36 1.01 -1.26 -5.03 120.40 110.63 2dl0 s VAL 18 Ca 0.63 -0.22 -0.15 0.00 0.00 0.00 0.00 61.98 62.23 2dl0 s VAL 18 Cb -0.18 0.00 0.02 0.00 0.00 0.00 0.00 36.38 36.22 2dl0 s VAL 18 CO 0.57 0.00 0.62 -0.24 0.00 0.00 0.00 175.10 176.05 2dl0 n SER 19 N 3.74 -7.67 -0.02 3.32 2.88 -1.26 -4.96 113.62 109.66 2dl0 n SER 19 Ca 0.11 0.36 -0.13 0.00 -1.33 0.00 0.00 58.87 57.88 2dl0 n SER 19 Cb 0.59 -4.99 -0.10 0.00 -0.75 0.00 0.00 64.21 58.96 2dl0 n SER 19 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2dl0 h PRO 20 N 1.74 0.04 0.00 -1.46 0.13 -1.96 -3.48 132.00 127.02 2dl0 h PRO 20 Ca -0.06 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2dl0 h PRO 20 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2dl0 h PRO 20 CO 0.22 0.51 0.00 0.41 -0.23 0.00 0.00 178.00 178.91 2dl0 n GLY 21 N 0.22 2.69 3.12 1.56 0.00 -1.26 -5.03 105.19 106.49 2dl0 n GLY 21 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 0.79 3.99 -0.06 0.00 1.01 -1.26 -4.93 121.20 120.74 2dl0 s ILE 23 Ca -0.10 -0.33 -0.02 0.00 0.00 0.00 0.00 60.65 60.20 2dl0 s ILE 23 Cb -0.16 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.56 2dl0 s ILE 23 CO 0.01 0.52 -0.06 -0.24 0.00 0.00 0.00 174.94 175.16 2dl0 n SER 24 N 3.20 1.68 -4.38 3.58 2.88 -1.26 -5.02 113.62 114.30 2dl0 n SER 24 Ca -0.18 0.03 -0.19 0.00 -1.33 0.00 0.00 58.87 57.21 2dl0 n SER 24 Cb 0.53 -0.13 -0.10 0.00 -0.75 0.00 0.00 64.21 63.75 2dl0 n SER 24 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dl0 s SER 25 N -5.11 1.86 0.23 -3.46 0.01 -1.26 -4.88 113.70 101.08 2dl0 s SER 25 Ca -0.08 -1.34 -0.16 0.00 1.31 0.00 0.00 55.95 55.68 2dl0 s SER 25 Cb 0.03 0.02 0.26 0.00 0.21 0.00 0.00 66.02 66.53 2dl0 s SER 25 CO 0.11 -0.63 1.57 0.58 0.41 0.00 0.00 173.24 175.28 2dl0 h VAL 26 N 2.29 0.07 -0.12 3.43 2.07 -1.87 -0.09 116.25 122.02 2dl0 h VAL 26 Ca -0.39 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.17 2dl0 h VAL 26 Cb 1.24 0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 2dl0 h VAL 26 CO 0.66 0.00 -0.42 0.28 0.02 0.00 0.00 177.57 178.11 2dl0 h SER 27 N -0.04 -1.31 -1.16 0.57 0.02 -1.94 0.34 113.55 110.03 2dl0 h SER 27 Ca 0.34 0.17 0.34 0.00 -0.84 0.00 0.00 61.79 61.80 2dl0 h SER 27 Cb 0.60 0.53 -0.10 0.00 0.14 0.00 0.00 62.40 63.57 2dl0 h SER 27 CO -0.90 -0.43 0.76 0.44 -1.14 0.00 0.00 176.83 175.56 2dl0 h ASP 28 N -0.50 0.32 0.18 3.07 3.32 -1.42 0.26 116.42 121.65 2dl0 h ASP 28 Ca 0.07 0.09 -0.26 0.00 0.02 0.00 0.00 57.03 56.95 2dl0 h ASP 28 Cb 0.63 0.05 0.03 0.00 0.22 0.00 0.00 39.33 40.25 2dl0 h ASP 28 CO -0.39 -0.01 -1.12 -0.25 -1.72 0.00 0.00 179.24 175.74 2dl0 h TRP 29 N 0.24 0.79 -0.50 4.55 7.01 -0.35 -2.90 115.95 124.80 2dl0 h TRP 29 Ca 0.67 -0.56 0.02 0.00 2.11 0.00 0.00 58.89 61.14 2dl0 h TRP 29 Cb 1.98 -0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 28.97 2dl0 h TRP 29 CO -0.00 1.42 0.33 -0.07 -2.79 0.00 0.00 178.44 177.33 2dl0 h LEU 30 N -0.07 0.51 -0.08 0.65 3.38 0.28 -2.21 115.31 117.78 2dl0 h LEU 30 Ca -0.19 -0.01 -0.25 0.00 0.09 0.00 0.00 57.88 57.52 2dl0 h LEU 30 Cb 1.87 -0.12 0.02 0.00 0.09 0.00 0.00 40.66 42.51 2dl0 h LEU 30 CO 0.21 0.36 -0.92 0.40 0.09 0.00 0.00 178.44 178.58 2dl0 h ILE 31 N 0.60 1.28 0.00 1.22 2.04 -0.99 0.17 117.51 121.82 2dl0 h ILE 31 Ca 0.20 -2.12 0.00 0.00 1.00 0.00 0.00 64.86 63.93 2dl0 h ILE 31 Cb 0.05 2.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 2dl0 h ILE 31 CO -0.05 0.66 0.12 -1.28 0.00 0.00 0.00 178.15 177.61 2dl0 h SER 32 N 0.46 0.00 0.00 1.72 0.87 -1.18 0.12 113.55 115.55 2dl0 h SER 32 Ca -0.09 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2dl0 h SER 32 Cb 1.57 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.53 2dl0 h SER 32 CO 0.18 0.00 -1.48 2.30 -0.53 0.00 0.00 176.83 177.30 2dl0 n ILE 33 N -2.80 0.00 -0.99 2.23 -5.35 -1.12 -5.00 119.36 106.32 2dl0 n ILE 33 Ca -0.02 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 2dl0 n ILE 33 Cb 0.17 0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.45 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 1.48 1.19 2.57 3.28 0.00 0.42 -5.01 105.19 109.13 2dl0 n GLY 34 Ca -0.01 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.01 2.70 0.00 0.99 4.77 0.54 -4.86 117.00 121.14 2dl0 n LEU 35 Ca 0.00 -3.98 0.07 0.00 -0.03 0.00 0.00 56.01 52.07 2dl0 n LEU 35 Cb 0.25 0.14 0.35 0.00 -2.33 0.00 0.00 43.42 41.83 2dl0 n LEU 35 CO 0.00 1.63 0.71 -0.81 -1.33 0.00 0.00 177.39 177.59 2dl0 n PRO 36 N -0.41 0.14 0.00 3.23 -0.04 -1.19 -2.70 135.00 134.03 2dl0 n PRO 36 Ca 0.20 0.18 0.09 0.00 -0.04 0.00 0.00 63.50 63.93 2dl0 n PRO 36 Cb 0.81 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 33.30 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 -1.35 0.65 -0.00 0.54 0.00 -1.26 -2.23 117.12 113.46 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 -1.43 -0.05 0.00 0.00 0.00 0.00 33.22 31.87 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 -0.93 0.00 -0.32 3.17 4.01 -1.10 -4.63 117.16 117.37 2dl0 n TYR 38 Ca 0.13 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.79 2dl0 n TYR 38 Cb 0.06 -0.11 -0.08 0.00 -0.31 0.00 0.00 39.34 38.91 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 -1.55 -0.49 0.36 -0.72 0.00 -0.95 0.19 120.51 117.36 2dl0 n ALA 39 Ca -0.00 0.64 0.14 0.00 0.00 0.00 0.00 53.44 54.22 2dl0 n ALA 39 Cb 0.16 -0.05 0.54 0.00 0.00 0.00 0.00 19.45 20.10 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 0.00 0.27 0.00 0.00 -1.85 -2.49 103.07 99.00 2dl0 h GLY 40 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 2dl0 h GLY 40 CO -0.71 0.00 -0.09 -0.84 0.00 0.00 0.00 176.54 174.89 2dl0 h THR 41 N 0.00 0.45 -0.66 4.70 2.02 0.18 -3.10 112.91 116.51 2dl0 h THR 41 Ca 0.00 -1.02 -0.05 0.00 0.77 0.00 0.00 66.41 66.11 2dl0 h THR 41 Cb 0.50 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 2dl0 h THR 41 CO 0.00 0.13 0.22 -0.07 0.37 0.00 0.00 175.52 176.16 2dl0 h LEU 42 N -0.99 0.95 -0.92 2.58 3.38 -0.48 -2.75 115.31 117.07 2dl0 h LEU 42 Ca -0.03 -0.20 0.16 0.00 0.09 0.00 0.00 57.88 57.90 2dl0 h LEU 42 Cb 0.41 -0.25 -0.10 0.00 0.09 0.00 0.00 40.66 40.81 2dl0 h LEU 42 CO 0.04 0.90 0.52 0.77 0.09 0.00 0.00 178.44 180.76 2dl0 h SER 43 N 0.95 0.66 0.00 -0.43 4.64 -1.46 0.15 113.55 118.06 2dl0 h SER 43 Ca 0.21 0.09 -0.07 0.00 -0.47 0.00 0.00 61.79 61.55 2dl0 h SER 43 Cb 0.28 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 2dl0 h SER 43 CO -0.01 0.27 -0.20 0.74 -0.87 0.00 0.00 176.83 176.76 2dl0 h THR 44 N 0.71 1.23 0.00 2.95 2.02 -1.41 -2.24 112.91 116.18 2dl0 h THR 44 Ca 0.50 -1.07 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 2dl0 h THR 44 Cb 0.71 1.30 -0.00 0.00 -1.74 0.00 0.00 68.15 68.42 2dl0 h THR 44 CO -0.36 0.34 -0.08 0.00 0.37 0.00 0.00 175.52 175.79 2dl0 h ALA 45 N 1.47 0.99 0.00 6.16 0.00 -0.65 -3.46 119.26 123.77 2dl0 h ALA 45 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2dl0 h ALA 45 Cb 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2dl0 h ALA 45 CO 0.04 0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.79 2dl0 n GLY 46 N 0.37 0.61 3.56 0.00 0.00 -0.62 -5.07 105.19 104.03 2dl0 n GLY 46 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.30 2.24 -0.04 1.61 0.40 -0.33 -4.62 117.98 115.93 2dl0 s PHE 47 Ca 0.00 -0.21 0.03 0.00 -0.60 0.00 0.00 56.93 56.15 2dl0 s PHE 47 Cb 0.00 -4.47 -0.04 0.00 0.51 0.00 0.00 43.02 39.01 2dl0 s PHE 47 CO 0.00 -1.95 0.00 0.45 0.70 0.00 0.00 175.22 174.42 2dl0 n SER 48 N 10.56 4.01 -4.90 1.36 2.88 -1.26 -3.41 113.62 122.85 2dl0 n SER 48 Ca 0.29 -0.01 -0.30 0.00 -1.33 0.00 0.00 58.87 57.52 2dl0 n SER 48 Cb 0.50 0.44 -0.04 0.00 -0.75 0.00 0.00 64.21 64.35 2dl0 n SER 48 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2dl0 s THR 49 N -2.09 5.09 -1.28 2.46 -4.23 -1.26 -4.47 115.64 109.86 2dl0 s THR 49 Ca -0.03 0.02 0.29 0.00 -1.18 0.00 0.00 61.69 60.79 2dl0 s THR 49 Cb 0.01 -3.68 0.41 0.00 1.34 0.00 0.00 72.50 70.58 2dl0 s THR 49 CO 0.14 -0.14 1.98 0.18 -0.54 0.00 0.00 174.62 176.23 2dl0 n LEU 50 N -0.44 0.00 0.18 4.79 4.77 -1.26 -3.21 117.00 121.82 2dl0 n LEU 50 Ca -0.02 0.36 0.04 0.00 -0.03 0.00 0.00 56.01 56.36 2dl0 n LEU 50 Cb 0.53 -0.36 0.30 0.00 -2.33 0.00 0.00 43.42 41.55 2dl0 n LEU 50 CO 0.48 -0.01 0.64 0.28 -1.33 0.00 0.00 177.39 177.44 2dl0 h SER 51 N 0.00 0.00 1.12 -1.43 0.02 -2.00 -2.79 113.55 108.47 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 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 2dl0 h SER 51 CO 0.00 0.43 -0.35 0.00 -1.14 0.00 0.00 176.83 175.77 2dl0 n GLN 52 N -3.59 0.27 0.43 3.45 6.02 -1.20 -4.08 117.38 118.69 2dl0 n GLN 52 Ca -0.00 0.14 -0.19 0.00 -0.01 0.00 0.00 57.00 56.93 2dl0 n GLN 52 Cb 0.53 -1.73 -0.09 0.00 1.02 0.00 0.00 30.24 29.97 2dl0 n GLN 52 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2dl0 h VAL 53 N 0.00 0.12 0.00 5.09 2.07 -1.64 -2.18 116.25 119.71 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 0.74 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 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 0.45 -0.41 1.57 -0.04 -1.26 -2.15 135.00 127.58 2dl0 n PRO 54 Ca -0.15 0.02 0.06 0.00 -0.04 0.00 0.00 63.50 63.39 2dl0 n PRO 54 Cb 0.47 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.03 2.89 -3.28 3.54 2.88 -0.84 -4.64 113.62 113.14 2dl0 n SER 55 Ca 0.11 -3.28 -0.29 0.00 -1.33 0.00 0.00 58.87 54.08 2dl0 n SER 55 Cb 0.06 -0.52 0.27 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 -1.00 0.00 -3.64 2.46 4.77 -0.91 -5.01 117.00 113.67 2dl0 n LEU 56 Ca 0.22 -0.90 -0.05 0.00 -0.03 0.00 0.00 56.01 55.24 2dl0 n LEU 56 Cb 0.82 -0.95 -0.06 0.00 -2.33 0.00 0.00 43.42 40.89 2dl0 n LEU 56 CO 0.10 -2.65 0.99 -0.55 -1.33 0.00 0.00 177.39 173.95 2dl0 s SER 57 N -3.34 -0.21 0.35 -1.43 0.15 -1.26 -4.95 113.70 103.01 2dl0 s SER 57 Ca 0.65 0.36 0.14 0.00 0.70 0.00 0.00 55.95 57.81 2dl0 s SER 57 Cb -0.10 0.36 1.13 0.00 -1.71 0.00 0.00 66.02 65.69 2dl0 s SER 57 CO 0.53 -0.09 1.60 -0.74 1.20 0.00 0.00 173.24 175.74 2dl0 h HIS 58 N 3.29 0.62 -0.08 3.44 2.76 -1.98 1.33 115.15 124.53 2dl0 h HIS 58 Ca -0.24 0.05 -0.17 0.00 -2.20 0.00 0.00 60.37 57.80 2dl0 h HIS 58 Cb 1.19 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 30.03 2dl0 h HIS 58 CO 0.26 -0.40 -0.69 1.15 -1.30 0.00 0.00 177.93 176.95 2dl0 h THR 59 N 0.07 1.39 0.25 6.26 2.02 -1.98 -2.45 112.91 118.46 2dl0 h THR 59 Ca 0.75 -2.10 -0.01 0.00 0.77 0.00 0.00 66.41 65.82 2dl0 h THR 59 Cb 1.85 2.08 -0.00 0.00 -1.74 0.00 0.00 68.15 70.33 2dl0 h THR 59 CO -0.77 0.63 -0.14 0.00 0.37 0.00 0.00 175.52 175.61 2dl0 h LEU 61 N -0.36 0.84 -1.11 0.00 3.38 -1.37 -2.76 115.31 113.94 2dl0 h LEU 61 Ca -0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 2dl0 h LEU 61 Cb 0.29 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2dl0 h LEU 61 CO 0.04 0.91 0.37 1.56 0.09 0.00 0.00 178.44 181.41 2dl0 h GLN 62 N 0.81 0.99 0.00 1.13 1.08 -1.18 -1.38 115.11 116.55 2dl0 h GLN 62 Ca 0.15 -0.12 -0.03 0.00 -1.45 0.00 0.00 58.65 57.21 2dl0 h GLN 62 Cb 0.49 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.72 2dl0 h GLN 62 CO 0.02 0.74 -0.14 0.93 -0.95 0.00 0.00 178.83 179.43 2dl0 h GLU 63 N 0.99 0.00 0.00 1.46 5.08 -0.79 -1.30 114.58 120.02 2dl0 h GLU 63 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2dl0 h GLU 63 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2dl0 h GLU 63 CO -0.04 0.14 -0.15 0.00 -1.00 0.00 0.00 179.01 177.97 2dl0 h ALA 64 N 1.86 0.92 0.00 3.43 0.00 -1.24 -3.47 119.26 120.76 2dl0 h ALA 64 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2dl0 h ALA 64 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2dl0 h ALA 64 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 2dl0 n GLY 65 N 1.17 1.35 3.66 0.00 0.00 -0.49 -4.95 105.19 105.92 2dl0 n GLY 65 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 4.02 -0.02 -0.61 1.01 -0.62 -4.84 121.20 118.14 2dl0 s ILE 66 Ca 0.00 1.22 0.01 0.00 0.00 0.00 0.00 60.65 61.88 2dl0 s ILE 66 Cb 0.00 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 2dl0 s ILE 66 CO 0.00 -0.15 -0.01 0.35 0.00 0.00 0.00 174.94 175.13 2dl0 n THR 67 N 5.56 0.14 -1.51 2.92 -2.24 -1.26 -3.43 114.28 114.47 2dl0 n THR 67 Ca 0.15 -0.07 -0.28 0.00 -2.27 0.00 0.00 64.05 61.58 2dl0 n THR 67 Cb 0.44 -0.76 -0.18 0.00 -2.10 0.00 0.00 70.33 67.74 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 -2.34 0.11 0.29 -0.78 0.00 -1.26 -4.66 120.64 112.00 2dl0 n GLU 68 Ca -0.04 -0.08 0.12 0.00 0.00 0.00 0.00 57.16 57.16 2dl0 n GLU 68 Cb 0.56 -1.56 0.59 0.00 0.00 0.00 0.00 31.44 31.03 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 12.00 0.00 -0.09 3.44 5.08 -1.99 0.49 114.58 133.51 2dl0 h GLU 69 Ca -0.01 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.12 2dl0 h GLU 69 Cb 1.19 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.45 2dl0 h GLU 69 CO 1.46 0.00 -0.85 -0.09 -1.00 0.00 0.00 179.01 178.54 2dl0 h ARG 70 N 0.00 0.73 0.18 2.33 2.43 -2.00 -2.68 114.38 115.37 2dl0 h ARG 70 Ca 0.04 -0.67 -0.29 0.00 -0.81 0.00 0.00 59.98 58.25 2dl0 h ARG 70 Cb 1.12 0.16 0.03 0.00 -0.42 0.00 0.00 29.97 30.87 2dl0 h ARG 70 CO -0.00 1.26 -1.25 0.45 -1.51 0.00 0.00 179.97 178.93 2dl0 h HIS 71 N 0.43 0.90 -0.70 2.20 3.86 -0.45 -3.10 115.15 118.29 2dl0 h HIS 71 Ca -0.08 -0.62 0.03 0.00 -1.16 0.00 0.00 60.37 58.54 2dl0 h HIS 71 Cb 1.49 -0.05 -0.05 0.00 1.06 0.00 0.00 27.41 29.87 2dl0 h HIS 71 CO 0.10 1.47 0.43 0.82 0.86 0.00 0.00 177.93 181.62 2dl0 h ILE 72 N 0.08 1.08 -0.42 2.45 2.04 -1.26 0.18 117.51 121.66 2dl0 h ILE 72 Ca -0.21 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.29 2dl0 h ILE 72 Cb 1.96 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 2dl0 h ILE 72 CO 0.24 0.15 -0.03 0.03 0.00 0.00 0.00 178.15 178.54 2dl0 h ARG 73 N 0.84 0.70 -0.23 2.37 2.47 -1.57 0.55 114.38 119.51 2dl0 h ARG 73 Ca 0.29 -0.19 -0.09 0.00 -1.26 0.00 0.00 59.98 58.73 2dl0 h ARG 73 Cb 0.04 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 28.28 2dl0 h ARG 73 CO -0.12 0.74 -0.20 -0.22 0.56 0.00 0.00 179.97 180.73 2dl0 h LYS 74 N 0.65 0.54 -0.21 0.04 3.64 -1.28 -1.47 116.57 118.49 2dl0 h LYS 74 Ca 0.13 -0.28 -0.05 0.00 -1.27 0.00 0.00 60.65 59.18 2dl0 h LYS 74 Cb 0.45 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 2dl0 h LYS 74 CO 0.02 0.86 -0.07 -0.07 -2.27 0.00 0.00 179.45 177.91 2dl0 h LEU 75 N 0.24 0.43 -1.10 5.20 3.38 -0.83 0.40 115.31 123.02 2dl0 h LEU 75 Ca 0.04 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 2dl0 h LEU 75 Cb 0.74 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 2dl0 h LEU 75 CO 0.05 0.72 0.45 -0.07 0.09 0.00 0.00 178.44 179.68 2dl0 h LEU 76 N 0.13 0.95 -0.11 1.67 3.38 -0.93 0.15 115.31 120.56 2dl0 h LEU 76 Ca 0.05 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 2dl0 h LEU 76 Cb 0.54 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.06 2dl0 h LEU 76 CO 0.03 0.75 -0.57 -1.28 0.09 0.00 0.00 178.44 177.46 2dl0 h SER 77 N 1.08 0.68 -0.44 -0.43 0.87 -1.18 -2.90 113.55 111.24 2dl0 h SER 77 Ca 0.28 -0.64 -0.08 0.00 -1.23 0.00 0.00 61.79 60.11 2dl0 h SER 77 Cb -0.01 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 2dl0 h SER 77 CO -0.05 1.22 -0.01 0.00 -0.53 0.00 0.00 176.83 177.46 2dl0 h ALA 78 N 0.48 1.03 -0.62 6.23 0.00 -0.63 -2.84 119.26 122.92 2dl0 h ALA 78 Ca -0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 2dl0 h ALA 78 Cb 1.21 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2dl0 h ALA 78 CO 0.12 0.60 0.28 0.00 0.00 0.00 0.00 179.25 180.24 2dl0 h ALA 79 N 1.19 0.80 0.00 0.00 0.00 -0.74 -1.77 119.26 118.74 2dl0 h ALA 79 Ca 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2dl0 h ALA 79 Cb 0.49 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2dl0 h ALA 79 CO 0.02 0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.66 2dl0 h ARG 80 N 0.85 0.00 -0.01 0.00 3.08 -1.32 -1.21 114.38 115.77 2dl0 h ARG 80 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 2dl0 h ARG 80 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2dl0 h ARG 80 CO -0.02 0.00 -0.19 1.28 -1.07 0.00 0.00 179.97 179.96 2dl0 n LEU 81 N -2.81 1.06 -4.56 3.04 4.77 -0.69 -4.78 117.00 113.03 2dl0 n LEU 81 Ca -0.00 -0.28 -0.41 0.00 -0.03 0.00 0.00 56.01 55.29 2dl0 n LEU 81 Cb 0.21 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 2dl0 n LEU 81 CO 0.22 0.19 1.17 0.12 -1.33 0.00 0.00 177.39 177.76 2dl0 s PHE 82 N -2.40 2.33 -0.49 -1.77 5.36 -0.45 -4.97 117.98 115.58 2dl0 s PHE 82 Ca 0.27 0.10 -0.17 0.00 -0.96 0.00 0.00 56.93 56.17 2dl0 s PHE 82 Cb 0.20 -4.58 0.07 0.00 -0.34 0.00 0.00 43.02 38.37 2dl0 s PHE 82 CO 0.48 -1.98 0.49 0.21 -1.46 0.00 0.00 175.22 172.97 2dl0 s LYS 83 N 5.60 3.04 0.34 10.12 2.20 -1.26 -4.88 119.74 134.90 2dl0 s LYS 83 Ca 0.39 -1.17 -0.26 0.00 -0.36 0.00 0.00 55.97 54.57 2dl0 s LYS 83 Cb -0.08 -4.12 -0.09 0.00 -1.51 0.00 0.00 37.83 32.02 2dl0 s LYS 83 CO 0.18 -1.11 1.01 -0.51 -0.36 0.00 0.00 175.35 174.56 2dl0 s LEU 84 N 2.05 4.31 0.51 5.43 1.43 -1.26 -5.03 118.68 126.13 2dl0 s LEU 84 Ca 0.08 1.99 -0.21 0.00 -1.03 0.00 0.00 54.13 54.96 2dl0 s LEU 84 Cb -0.22 -4.00 -0.06 0.00 0.03 0.00 0.00 46.19 41.93 2dl0 s LEU 84 CO 0.09 -0.23 1.14 -2.16 0.23 0.00 0.00 176.35 175.42 2dl0 s PRO 85 N -2.08 3.50 0.34 1.29 0.04 -1.26 -5.00 135.00 131.83 2dl0 s PRO 85 Ca 0.52 1.66 -0.28 0.00 0.04 0.00 0.00 61.00 62.94 2dl0 s PRO 85 Cb -0.22 -2.14 -0.10 0.00 0.04 0.00 0.00 34.50 32.08 2dl0 s PRO 85 CO 0.28 -0.74 1.21 -1.25 0.04 0.00 0.00 177.00 176.55 2dl0 s PRO 86 N -3.08 4.34 0.00 0.56 0.04 -1.26 -4.54 135.00 131.05 2dl0 s PRO 86 Ca 0.70 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.74 2dl0 s PRO 86 Cb -0.25 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.30 2dl0 s PRO 86 CO 0.29 -0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.62 2dl0 n GLY 87 N 0.85 -1.59 0.00 0.56 0.00 -1.26 -4.91 105.19 98.85 2dl0 n GLY 87 Ca 0.01 -0.23 0.08 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.22 0.41 0.00 1.61 -0.04 -1.26 -4.36 135.00 131.13 2dl0 n PRO 88 Ca 0.00 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 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 -1.08 0.00 -3.64 0.54 2.13 -1.26 -5.14 120.64 112.19 2dl0 n GLU 89 Ca 0.10 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.83 2dl0 n GLU 89 Cb 0.07 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.71 2dl0 n GLU 89 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2dl0 s ALA 90 N -0.09 -1.95 -0.26 4.31 0.00 -1.26 -5.15 121.76 117.36 2dl0 s ALA 90 Ca 0.00 1.99 -0.08 0.00 0.00 0.00 0.00 51.96 53.87 2dl0 s ALA 90 Cb 0.00 -1.41 -0.03 0.00 0.00 0.00 0.00 23.12 21.69 2dl0 s ALA 90 CO 0.00 -0.28 0.09 1.41 0.00 0.00 0.00 175.76 176.98 2dl0 s MET 91 N 0.48 3.60 -0.29 0.00 1.75 -1.26 -4.77 119.30 118.81 2dl0 s MET 91 Ca 0.00 -0.52 -0.00 0.00 -1.25 0.00 0.00 55.69 53.92 2dl0 s MET 91 Cb -0.05 -3.37 0.14 0.00 2.84 0.00 0.00 34.83 34.39 2dl0 s MET 91 CO -0.06 -0.23 0.31 0.45 -0.65 0.00 0.00 175.02 174.83 2dl0 s SER 92 N 1.62 1.58 0.00 1.11 0.15 -1.26 -5.03 113.70 111.87 2dl0 s SER 92 Ca 0.06 -0.75 0.00 0.00 0.70 0.00 0.00 55.95 55.96 2dl0 s SER 92 Cb -0.15 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 2dl0 s SER 92 CO 0.04 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.71 2dl0 n GLY 93 N 5.29 -1.87 3.61 9.45 0.00 -1.26 -5.18 105.19 115.23 2dl0 n GLY 93 Ca -0.02 0.84 -0.30 0.00 0.00 0.00 0.00 46.02 46.55 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 0.00 -0.79 -0.25 1.61 0.04 -1.26 -5.01 135.00 129.34 2dl0 s PRO 94 Ca 0.00 0.09 -0.17 0.00 0.04 0.00 0.00 61.00 60.97 2dl0 s PRO 94 Cb 0.00 -1.63 -0.03 0.00 0.04 0.00 0.00 34.50 32.88 2dl0 s PRO 94 CO 0.00 -3.46 0.46 0.45 0.04 0.00 0.00 177.00 174.49 2dl0 s SER 95 N -3.76 6.38 0.00 6.66 0.15 -1.26 -5.02 113.70 116.85 2dl0 s SER 95 Ca 0.69 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.79 2dl0 s SER 95 Cb -0.12 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2dl0 s SER 95 CO 0.57 -0.23 0.00 -1.20 1.20 0.00 0.00 173.24 173.58 2dl0 n SER 96 N 5.33 0.00 0.00 5.45 7.64 -1.26 -5.36 113.62 125.42 2dl0 n SER 96 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2dl0 n SER 96 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 2dl0 n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64