#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dl0 n SER 2 N 0.00 -5.32 0.00 1.61 7.64 -1.26 -5.10 113.62 111.20 2dl0 n SER 2 Ca 0.00 0.89 0.00 0.00 1.01 0.00 0.00 58.87 60.77 2dl0 n SER 2 Cb 0.00 -2.51 0.00 0.00 -1.01 0.00 0.00 64.21 60.69 2dl0 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dl0 n SER 3 N -1.42 0.00 -4.33 6.43 7.64 -1.26 -5.18 113.62 115.51 2dl0 n SER 3 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 2dl0 n SER 3 Cb 0.11 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.18 2dl0 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dl0 s GLY 4 N 0.00 1.38 0.00 0.23 0.00 -1.26 -5.09 107.32 102.58 2dl0 s GLY 4 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.39 2dl0 s GLY 4 CO 0.00 -1.31 0.00 1.44 0.00 0.00 0.00 173.10 173.23 2dl0 n SER 5 N 1.09 0.00 -3.58 1.64 7.64 -1.26 -5.17 113.62 113.98 2dl0 n SER 5 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2dl0 n SER 5 Cb 0.53 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.67 2dl0 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dl0 s SER 6 N 0.00 -0.34 0.22 6.43 1.04 -1.26 -5.09 113.70 114.71 2dl0 s SER 6 Ca 0.00 0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.95 2dl0 s SER 6 Cb 0.00 1.20 0.00 0.00 0.10 0.00 0.00 66.02 67.32 2dl0 s SER 6 CO 0.00 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.75 2dl0 n GLY 7 N 3.74 -0.58 0.00 7.32 0.00 -1.26 -5.13 105.19 109.28 2dl0 n GLY 7 Ca -0.16 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.55 0.48 1.41 -0.02 0.00 -1.26 -5.16 105.19 101.19 2dl0 n GLY 8 Ca 0.00 0.61 0.17 0.00 0.00 0.00 0.00 46.02 46.80 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 -2.89 0.11 -0.02 0.00 -1.26 -4.61 105.19 96.52 2dl0 n GLY 9 Ca 0.00 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 2dl0 n GLY 9 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2dl0 h LEU 10 N -1.41 0.33 -2.26 0.99 -0.00 -2.06 -3.50 115.31 107.39 2dl0 h LEU 10 Ca -0.15 -0.32 0.00 0.00 -0.00 0.00 0.00 57.88 57.41 2dl0 h LEU 10 Cb 1.33 -0.11 -0.07 0.00 -0.00 0.00 0.00 40.66 41.82 2dl0 h LEU 10 CO 0.06 1.20 -1.21 0.41 -0.00 0.00 0.00 178.44 178.90 2dl0 n THR 11 N -3.56-10.74 -4.16 0.15 -1.04 -1.26 -5.05 114.28 88.62 2dl0 n THR 11 Ca -0.06 2.06 -0.17 0.00 -2.04 0.00 0.00 64.05 63.84 2dl0 n THR 11 Cb 0.94 -6.05 -0.12 0.00 -1.82 0.00 0.00 70.33 63.28 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 -0.95 0.76 -0.09 -2.82 2.02 -1.26 -5.13 118.70 111.23 2dl0 s GLU 12 Ca -0.15 -0.88 -0.24 0.00 0.02 0.00 0.00 54.97 53.72 2dl0 s GLU 12 Cb 0.01 -0.71 -0.03 0.00 0.10 0.00 0.00 34.13 33.50 2dl0 s GLU 12 CO 0.66 0.16 0.74 0.96 0.02 0.00 0.00 175.26 177.80 2dl0 s ILE 13 N -1.24 5.00 -0.29 -1.63 -5.25 -1.26 -5.03 121.20 111.50 2dl0 s ILE 13 Ca -0.03 1.50 -0.21 0.00 -0.99 0.00 0.00 60.65 60.91 2dl0 s ILE 13 Cb -0.10 -4.07 0.16 0.00 2.95 0.00 0.00 42.46 41.40 2dl0 s ILE 13 CO 0.02 0.19 1.15 0.00 -1.79 0.00 0.00 174.94 174.51 2dl0 s ARG 15 N 0.59 0.75 0.08 0.00 1.70 -1.26 -5.13 118.95 115.68 2dl0 s ARG 15 Ca -0.01 -0.40 0.09 0.00 -0.47 0.00 0.00 55.73 54.94 2dl0 s ARG 15 Cb -0.04 -2.00 -0.04 0.00 -0.57 0.00 0.00 34.95 32.30 2dl0 s ARG 15 CO -0.11 -0.59 -0.21 0.15 -1.08 0.00 0.00 175.30 173.46 2dl0 s LYS 16 N 1.83 1.82 0.70 3.89 1.02 -1.26 -5.14 119.74 122.60 2dl0 s LYS 16 Ca -0.00 -1.13 -0.12 0.00 0.02 0.00 0.00 55.97 54.74 2dl0 s LYS 16 Cb -0.16 -2.08 0.17 0.00 -0.52 0.00 0.00 37.83 35.24 2dl0 s LYS 16 CO -0.08 0.50 0.62 -0.35 -0.92 0.00 0.00 175.35 175.13 2dl0 n PRO 17 N 1.26 -2.23 -1.53 -1.68 -0.04 -1.26 -4.91 135.00 124.61 2dl0 n PRO 17 Ca -0.16 -0.99 -0.47 0.00 -0.04 0.00 0.00 63.50 61.83 2dl0 n PRO 17 Cb 0.52 -0.93 -0.03 0.00 -0.04 0.00 0.00 33.50 33.02 2dl0 n PRO 17 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2dl0 n VAL 18 N -3.85 1.55 0.00 0.52 0.24 -1.26 -4.50 118.33 111.03 2dl0 n VAL 18 Ca 0.09 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 2dl0 n VAL 18 Cb 0.33 -0.65 0.00 0.00 -1.47 0.00 0.00 33.84 32.05 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 1.67 0.00 -4.54 -1.34 7.64 -1.26 -5.15 113.62 110.64 2dl0 n SER 19 Ca 0.14 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.73 2dl0 n SER 19 Cb 0.27 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.66 2dl0 n SER 19 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2dl0 s PRO 20 N 0.00 0.07 0.00 1.43 0.04 -1.26 -3.88 135.00 131.40 2dl0 s PRO 20 Ca 0.00 0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.43 2dl0 s PRO 20 Cb 0.00 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.83 2dl0 s PRO 20 CO 0.00 -2.95 0.00 0.41 0.04 0.00 0.00 177.00 174.50 2dl0 n GLY 21 N -1.05 3.07 3.70 0.56 0.00 -1.26 -5.00 105.19 105.22 2dl0 n GLY 21 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 1.37 3.81 -0.17 0.00 1.01 -1.26 -4.98 121.20 120.98 2dl0 s ILE 23 Ca 0.51 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.73 2dl0 s ILE 23 Cb -0.21 -2.63 -0.10 0.00 0.01 0.00 0.00 42.46 39.54 2dl0 s ILE 23 CO 0.25 0.53 -0.18 -1.20 0.00 0.00 0.00 174.94 174.34 2dl0 n SER 24 N 3.08 2.12 -3.81 3.58 7.64 -1.26 -5.02 113.62 119.96 2dl0 n SER 24 Ca -0.18 0.03 -0.25 0.00 1.01 0.00 0.00 58.87 59.49 2dl0 n SER 24 Cb 0.53 -0.37 -0.08 0.00 -1.01 0.00 0.00 64.21 63.28 2dl0 n SER 24 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dl0 s SER 25 N -6.01 2.58 0.14 6.43 0.01 -1.26 -4.90 113.70 110.69 2dl0 s SER 25 Ca -0.23 -1.76 -0.27 0.00 1.31 0.00 0.00 55.95 55.00 2dl0 s SER 25 Cb 0.07 0.60 -0.02 0.00 0.21 0.00 0.00 66.02 66.89 2dl0 s SER 25 CO 0.36 -1.02 1.59 0.58 0.41 0.00 0.00 173.24 175.16 2dl0 h VAL 26 N 1.83 0.20 -0.53 3.43 2.07 -1.87 -2.40 116.25 118.98 2dl0 h VAL 26 Ca -0.31 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.27 2dl0 h VAL 26 Cb 1.26 0.20 -0.09 0.00 -1.52 0.00 0.00 31.29 31.14 2dl0 h VAL 26 CO 0.48 0.00 -0.56 0.77 0.02 0.00 0.00 177.57 178.28 2dl0 h SER 27 N -0.40 -1.91 -1.17 0.57 4.64 -1.93 0.69 113.55 114.03 2dl0 h SER 27 Ca 0.11 0.26 0.33 0.00 -0.47 0.00 0.00 61.79 62.02 2dl0 h SER 27 Cb 0.58 0.80 -0.06 0.00 -0.31 0.00 0.00 62.40 63.41 2dl0 h SER 27 CO -0.43 -0.37 0.82 0.44 -0.87 0.00 0.00 176.83 176.43 2dl0 h ASP 28 N -0.31 0.11 0.36 4.97 3.32 -1.86 0.42 116.42 123.43 2dl0 h ASP 28 Ca 0.09 0.02 -0.32 0.00 0.02 0.00 0.00 57.03 56.85 2dl0 h ASP 28 Cb 0.56 0.01 0.02 0.00 0.22 0.00 0.00 39.33 40.14 2dl0 h ASP 28 CO -0.67 0.01 -1.48 -0.25 -1.72 0.00 0.00 179.24 175.13 2dl0 h TRP 29 N 0.09 0.76 -0.22 4.55 7.01 0.61 -2.92 115.95 125.84 2dl0 h TRP 29 Ca 0.59 -0.55 -0.09 0.00 2.11 0.00 0.00 58.89 60.95 2dl0 h TRP 29 Cb 2.14 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 29.15 2dl0 h TRP 29 CO -0.00 1.49 -0.24 -0.07 -2.79 0.00 0.00 178.44 176.83 2dl0 h LEU 30 N 0.11 0.40 -0.14 0.65 3.38 0.39 -2.97 115.31 117.13 2dl0 h LEU 30 Ca -0.24 -0.13 -0.23 0.00 0.09 0.00 0.00 57.88 57.37 2dl0 h LEU 30 Cb 2.09 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 42.75 2dl0 h LEU 30 CO 0.23 0.65 -0.84 0.40 0.09 0.00 0.00 178.44 178.97 2dl0 h ILE 31 N 0.36 1.28 0.00 1.22 2.04 -0.83 0.18 117.51 121.76 2dl0 h ILE 31 Ca 0.06 -2.05 0.00 0.00 1.00 0.00 0.00 64.86 63.86 2dl0 h ILE 31 Cb 0.62 2.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 2dl0 h ILE 31 CO 0.04 0.64 0.07 -1.28 0.00 0.00 0.00 178.15 177.63 2dl0 h SER 32 N 0.49 0.00 0.00 1.72 0.87 -1.35 0.16 113.55 115.44 2dl0 h SER 32 Ca -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2dl0 h SER 32 Cb 1.47 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.43 2dl0 h SER 32 CO 0.17 0.00 -0.90 2.30 -0.53 0.00 0.00 176.83 177.87 2dl0 n ILE 33 N -2.91 0.00 -1.59 2.23 -5.35 -1.15 -4.99 119.36 105.60 2dl0 n ILE 33 Ca -0.03 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 2dl0 n ILE 33 Cb 0.13 0.93 0.00 0.00 -1.74 0.00 0.00 39.64 38.96 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 1.42 0.73 2.57 3.28 0.00 0.55 -4.99 105.19 108.75 2dl0 n GLY 34 Ca 0.03 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.22 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 2.72 0.00 0.99 4.77 0.61 -4.86 117.00 121.22 2dl0 n LEU 35 Ca 0.00 -4.04 0.07 0.00 -0.03 0.00 0.00 56.01 52.02 2dl0 n LEU 35 Cb 0.39 0.13 0.39 0.00 -2.33 0.00 0.00 43.42 42.00 2dl0 n LEU 35 CO 0.00 1.67 0.70 -0.81 -1.33 0.00 0.00 177.39 177.61 2dl0 n PRO 36 N -0.38 0.26 0.00 3.23 -0.04 -1.19 -2.73 135.00 134.15 2dl0 n PRO 36 Ca 0.20 0.12 0.08 0.00 -0.04 0.00 0.00 63.50 63.86 2dl0 n PRO 36 Cb 0.80 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 33.21 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 -1.23 0.78 -0.00 0.54 0.00 -1.26 -2.48 117.12 113.47 2dl0 n MET 37 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 57.70 57.79 2dl0 n MET 37 Cb 0.11 -1.30 -0.02 0.00 0.00 0.00 0.00 33.22 32.00 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 -0.80 0.00 -0.27 3.17 4.01 -1.11 -4.65 117.16 117.51 2dl0 n TYR 38 Ca 0.11 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.78 2dl0 n TYR 38 Cb 0.05 -0.02 -0.06 0.00 -0.31 0.00 0.00 39.34 39.00 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 -1.24 -0.41 0.18 -0.72 0.00 -1.03 0.15 120.51 117.44 2dl0 n ALA 39 Ca 0.00 0.54 0.03 0.00 0.00 0.00 0.00 53.44 54.02 2dl0 n ALA 39 Cb 0.05 0.06 0.35 0.00 0.00 0.00 0.00 19.45 19.91 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 0.91 0.00 0.00 -1.86 -1.95 103.07 100.17 2dl0 h GLY 40 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 2dl0 h GLY 40 CO -0.60 0.00 -0.44 -0.84 0.00 0.00 0.00 176.54 174.66 2dl0 h THR 41 N 0.00 0.00 -0.70 4.70 2.02 -0.56 -2.10 112.91 116.27 2dl0 h THR 41 Ca -0.00 -0.07 -0.07 0.00 0.77 0.00 0.00 66.41 67.04 2dl0 h THR 41 Cb 0.77 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 2dl0 h THR 41 CO 0.05 0.00 0.18 -0.07 0.37 0.00 0.00 175.52 176.05 2dl0 h LEU 42 N -1.30 1.04 -0.95 2.58 3.38 -0.56 -2.76 115.31 116.74 2dl0 h LEU 42 Ca -0.13 -0.21 0.15 0.00 0.09 0.00 0.00 57.88 57.78 2dl0 h LEU 42 Cb 0.94 -0.27 -0.09 0.00 0.09 0.00 0.00 40.66 41.32 2dl0 h LEU 42 CO 0.21 0.99 0.56 -1.28 0.09 0.00 0.00 178.44 179.01 2dl0 h SER 43 N 1.05 0.75 0.15 -0.43 0.87 -1.32 0.15 113.55 114.77 2dl0 h SER 43 Ca 0.22 0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.78 2dl0 h SER 43 Cb 0.35 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 2dl0 h SER 43 CO 0.00 0.34 -0.28 0.74 -0.53 0.00 0.00 176.83 177.10 2dl0 h THR 44 N 0.80 1.25 0.00 2.23 2.02 -1.08 -2.12 112.91 116.01 2dl0 h THR 44 Ca 0.51 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 66.52 2dl0 h THR 44 Cb 0.66 1.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 2dl0 h THR 44 CO -0.33 0.35 0.00 0.00 0.37 0.00 0.00 175.52 175.91 2dl0 n ALA 45 N -2.48 2.05 0.00 6.16 0.00 0.35 -4.87 120.51 121.72 2dl0 n ALA 45 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2dl0 n ALA 45 Cb 0.38 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 0.82 1.52 3.57 0.00 0.00 -0.69 -5.04 105.19 105.36 2dl0 n GLY 46 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.72 1.45 -0.05 1.61 0.08 -0.25 -4.43 117.98 114.67 2dl0 s PHE 47 Ca 0.00 1.56 0.04 0.00 0.12 0.00 0.00 56.93 58.65 2dl0 s PHE 47 Cb 0.00 -3.61 -0.06 0.00 -0.57 0.00 0.00 43.02 38.78 2dl0 s PHE 47 CO 0.00 -1.20 0.01 -1.13 -0.10 0.00 0.00 175.22 172.81 2dl0 n SER 48 N 17.38 3.86 -4.91 1.36 3.41 -1.26 -3.65 113.62 129.81 2dl0 n SER 48 Ca 0.43 -0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.74 2dl0 n SER 48 Cb 0.46 0.59 -0.04 0.00 -0.26 0.00 0.00 64.21 64.96 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 -2.11 5.15 -1.19 6.66 -4.23 -1.26 -4.43 115.64 114.24 2dl0 s THR 49 Ca -0.02 -0.06 0.28 0.00 -1.18 0.00 0.00 61.69 60.70 2dl0 s THR 49 Cb 0.01 -3.67 0.25 0.00 1.34 0.00 0.00 72.50 70.43 2dl0 s THR 49 CO 0.19 -0.06 1.78 0.18 -0.54 0.00 0.00 174.62 176.16 2dl0 n LEU 50 N -0.24 0.25 0.21 4.79 4.77 -1.26 -3.47 117.00 122.05 2dl0 n LEU 50 Ca -0.03 0.23 0.09 0.00 -0.03 0.00 0.00 56.01 56.27 2dl0 n LEU 50 Cb 0.53 -0.34 0.38 0.00 -2.33 0.00 0.00 43.42 41.65 2dl0 n LEU 50 CO 0.48 0.06 0.76 0.28 -1.33 0.00 0.00 177.39 177.64 2dl0 h SER 51 N 0.14 0.00 0.39 -1.43 0.02 -2.00 -2.85 113.55 107.82 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 0.25 -0.72 0.00 -1.14 0.00 0.00 176.83 175.22 2dl0 n GLN 52 N -3.33 0.07 0.43 3.45 10.64 -1.23 -4.34 117.38 123.07 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 0.48 -1.53 -0.09 0.00 -0.86 0.00 0.00 30.24 28.24 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 0.13 0.00 -0.39 2.07 -1.63 -2.18 116.25 114.25 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 0.56 0.13 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 -5.59 0.48 -0.39 1.57 -0.04 -1.25 -2.18 135.00 127.61 2dl0 n PRO 54 Ca -0.15 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.38 2dl0 n PRO 54 Cb 0.46 -1.37 0.20 0.00 -0.04 0.00 0.00 33.50 32.75 2dl0 n PRO 54 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dl0 n SER 55 N -0.87 2.71 -3.42 3.54 7.64 -0.83 -4.44 113.62 117.95 2dl0 n SER 55 Ca 0.09 -3.32 -0.30 0.00 1.01 0.00 0.00 58.87 56.35 2dl0 n SER 55 Cb 0.04 -0.52 0.29 0.00 -1.01 0.00 0.00 64.21 63.01 2dl0 n SER 55 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2dl0 n LEU 56 N -1.07 -0.56 -3.64 -3.43 4.77 -0.92 -5.03 117.00 107.12 2dl0 n LEU 56 Ca 0.21 -0.77 -0.09 0.00 -0.03 0.00 0.00 56.01 55.33 2dl0 n LEU 56 Cb 0.79 -1.03 -0.07 0.00 -2.33 0.00 0.00 43.42 40.78 2dl0 n LEU 56 CO 0.08 -4.42 0.68 -0.55 -1.33 0.00 0.00 177.39 171.84 2dl0 s SER 57 N -2.94 -0.51 0.34 -1.43 0.15 -1.26 -4.97 113.70 103.07 2dl0 s SER 57 Ca 0.67 0.97 0.13 0.00 0.70 0.00 0.00 55.95 58.42 2dl0 s SER 57 Cb -0.14 1.01 1.09 0.00 -1.71 0.00 0.00 66.02 66.27 2dl0 s SER 57 CO 0.57 -0.17 1.60 -0.74 1.20 0.00 0.00 173.24 175.70 2dl0 h HIS 58 N 4.53 0.56 -0.04 3.44 2.76 -1.97 1.29 115.15 125.72 2dl0 h HIS 58 Ca -0.28 0.05 -0.18 0.00 -2.20 0.00 0.00 60.37 57.75 2dl0 h HIS 58 Cb 1.18 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 30.05 2dl0 h HIS 58 CO 0.31 -0.40 -0.76 1.15 -1.30 0.00 0.00 177.93 176.93 2dl0 h THR 59 N 0.07 1.42 0.12 6.26 2.02 -1.98 -2.78 112.91 118.04 2dl0 h THR 59 Ca 0.74 -2.27 0.01 0.00 0.77 0.00 0.00 66.41 65.65 2dl0 h THR 59 Cb 1.78 2.22 -0.01 0.00 -1.74 0.00 0.00 68.15 70.40 2dl0 h THR 59 CO -0.78 0.67 -0.14 0.00 0.37 0.00 0.00 175.52 175.65 2dl0 h LEU 61 N -0.29 1.04 -1.24 0.00 3.38 -1.39 -2.67 115.31 114.13 2dl0 h LEU 61 Ca 0.01 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 2dl0 h LEU 61 Cb 0.29 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2dl0 h LEU 61 CO -0.05 1.00 0.32 1.56 0.09 0.00 0.00 178.44 181.37 2dl0 h GLN 62 N 1.03 0.84 -0.04 1.13 1.08 -1.19 -1.54 115.11 116.43 2dl0 h GLN 62 Ca 0.21 -0.09 -0.04 0.00 -1.45 0.00 0.00 58.65 57.29 2dl0 h GLN 62 Cb 0.38 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 2dl0 h GLN 62 CO 0.00 0.63 -0.14 0.93 -0.95 0.00 0.00 178.83 179.31 2dl0 h GLU 63 N 0.85 0.06 0.00 1.46 5.08 -0.66 -1.96 114.58 119.41 2dl0 h GLU 63 Ca 0.22 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.44 2dl0 h GLU 63 Cb 0.04 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2dl0 h GLU 63 CO -0.03 0.21 -0.61 0.00 -1.00 0.00 0.00 179.01 177.57 2dl0 h ALA 64 N 1.80 0.62 0.00 3.43 0.00 -1.22 -3.47 119.26 120.41 2dl0 h ALA 64 Ca 0.01 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2dl0 h ALA 64 Cb 0.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2dl0 h ALA 64 CO 0.02 0.77 0.00 0.41 0.00 0.00 0.00 179.25 180.44 2dl0 n GLY 65 N 1.19 1.41 3.69 0.00 0.00 -0.74 -4.98 105.19 105.76 2dl0 n GLY 65 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.03 3.18 0.00 -0.61 1.01 -0.76 -4.84 121.20 118.15 2dl0 s ILE 66 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.22 2dl0 s ILE 66 Cb 0.00 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 39.10 2dl0 s ILE 66 CO 0.00 -0.01 0.00 0.35 0.00 0.00 0.00 174.94 175.28 2dl0 n THR 67 N 4.82 0.00 -1.52 2.92 -2.24 -1.26 -3.41 114.28 113.59 2dl0 n THR 67 Ca 0.16 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.67 2dl0 n THR 67 Cb 0.41 -0.70 -0.13 0.00 -2.10 0.00 0.00 70.33 67.80 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 -1.67 0.33 -0.19 -0.78 0.00 -1.26 -4.70 120.64 112.37 2dl0 n GLU 68 Ca 0.00 -0.23 0.30 0.00 0.00 0.00 0.00 57.16 57.23 2dl0 n GLU 68 Cb 0.37 -2.26 0.66 0.00 0.00 0.00 0.00 31.44 30.21 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 13.20 0.00 -0.31 3.44 4.22 -1.98 0.53 114.58 133.67 2dl0 h GLU 69 Ca -0.04 0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.34 2dl0 h GLU 69 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2dl0 h GLU 69 CO 1.33 0.00 -0.04 -0.09 -2.18 0.00 0.00 179.01 178.02 2dl0 h ARG 70 N 0.00 0.58 0.07 1.92 9.65 -2.00 -2.23 114.38 122.37 2dl0 h ARG 70 Ca 0.46 -0.21 -0.27 0.00 -1.10 0.00 0.00 59.98 58.86 2dl0 h ARG 70 Cb 2.23 -0.04 0.03 0.00 -1.39 0.00 0.00 29.97 30.79 2dl0 h ARG 70 CO -0.00 0.75 -1.11 0.45 2.80 0.00 0.00 179.97 182.85 2dl0 h HIS 71 N 0.36 0.98 -0.48 2.20 3.86 -0.39 -3.05 115.15 118.62 2dl0 h HIS 71 Ca 0.08 -0.59 0.07 0.00 -1.16 0.00 0.00 60.37 58.78 2dl0 h HIS 71 Cb 0.51 -0.09 -0.06 0.00 1.06 0.00 0.00 27.41 28.84 2dl0 h HIS 71 CO 0.05 1.43 0.16 0.82 0.86 0.00 0.00 177.93 181.24 2dl0 h ILE 72 N 0.26 0.82 -0.48 2.45 2.04 -1.07 0.13 117.51 121.66 2dl0 h ILE 72 Ca -0.16 -0.11 -0.06 0.00 1.00 0.00 0.00 64.86 65.53 2dl0 h ILE 72 Cb 1.79 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 2dl0 h ILE 72 CO 0.22 0.06 0.04 0.03 0.00 0.00 0.00 178.15 178.49 2dl0 h ARG 73 N 0.32 0.77 -0.12 2.37 2.47 -1.49 -0.11 114.38 118.61 2dl0 h ARG 73 Ca 0.23 -0.19 -0.02 0.00 -1.26 0.00 0.00 59.98 58.74 2dl0 h ARG 73 Cb 0.26 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 28.47 2dl0 h ARG 73 CO -0.25 0.76 -0.02 -0.22 0.56 0.00 0.00 179.97 180.80 2dl0 h LYS 74 N 0.73 0.21 -0.17 0.04 3.64 -1.17 0.14 116.57 120.00 2dl0 h LYS 74 Ca 0.15 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.44 2dl0 h LYS 74 Cb 0.39 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2dl0 h LYS 74 CO 0.01 0.49 0.04 -0.07 -2.27 0.00 0.00 179.45 177.66 2dl0 h LEU 75 N -0.09 0.26 -1.27 5.20 3.38 -0.65 0.02 115.31 122.15 2dl0 h LEU 75 Ca 0.03 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 2dl0 h LEU 75 Cb 0.41 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2dl0 h LEU 75 CO 0.01 0.42 0.12 -0.07 0.09 0.00 0.00 178.44 179.01 2dl0 h LEU 76 N 0.08 0.57 -0.35 1.67 3.38 -1.04 0.92 115.31 120.55 2dl0 h LEU 76 Ca 0.05 -0.08 -0.19 0.00 0.09 0.00 0.00 57.88 57.76 2dl0 h LEU 76 Cb 0.26 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2dl0 h LEU 76 CO 0.00 0.56 -0.68 -1.28 0.09 0.00 0.00 178.44 177.13 2dl0 h SER 77 N 0.61 0.72 0.61 -0.43 0.87 -0.74 -2.79 113.55 112.40 2dl0 h SER 77 Ca 0.14 -0.44 -0.17 0.00 -1.23 0.00 0.00 61.79 60.10 2dl0 h SER 77 Cb 0.20 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 2dl0 h SER 77 CO -0.01 1.20 -0.75 0.00 -0.53 0.00 0.00 176.83 176.74 2dl0 h ALA 78 N 0.80 0.72 -0.06 6.23 0.00 -0.55 -2.97 119.26 123.43 2dl0 h ALA 78 Ca -0.02 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.22 2dl0 h ALA 78 Cb 1.26 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2dl0 h ALA 78 CO 0.13 0.88 0.00 0.00 0.00 0.00 0.00 179.25 180.26 2dl0 h ALA 79 N 1.16 0.08 0.00 0.00 0.00 -0.79 -2.23 119.26 117.47 2dl0 h ALA 79 Ca -0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2dl0 h ALA 79 Cb 1.33 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2dl0 h ALA 79 CO 0.11 -0.25 -0.12 0.00 0.00 0.00 0.00 179.25 178.99 2dl0 h ARG 80 N -0.18 0.00 -0.51 0.00 3.08 -1.55 -0.75 114.38 114.47 2dl0 h ARG 80 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2dl0 h ARG 80 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 2dl0 h ARG 80 CO 0.00 0.12 0.00 1.28 -1.07 0.00 0.00 179.97 180.30 2dl0 n LEU 81 N -3.80 2.70 -4.48 3.04 4.77 -1.08 -4.82 117.00 113.34 2dl0 n LEU 81 Ca -0.02 -1.35 -0.43 0.00 -0.03 0.00 0.00 56.01 54.17 2dl0 n LEU 81 Cb 0.22 -0.34 -0.05 0.00 -2.33 0.00 0.00 43.42 40.91 2dl0 n LEU 81 CO 0.31 0.67 0.51 0.12 -1.33 0.00 0.00 177.39 177.67 2dl0 s PHE 82 N -1.34 2.94 -1.01 -1.77 5.36 -0.29 -4.99 117.98 116.89 2dl0 s PHE 82 Ca 0.34 -0.32 -0.11 0.00 -0.96 0.00 0.00 56.93 55.88 2dl0 s PHE 82 Cb 0.18 -3.76 0.25 0.00 -0.34 0.00 0.00 43.02 39.34 2dl0 s PHE 82 CO 0.23 -1.17 1.00 0.21 -1.46 0.00 0.00 175.22 174.03 2dl0 s LYS 83 N 3.19 3.97 0.36 10.12 2.20 -1.26 -4.84 119.74 133.48 2dl0 s LYS 83 Ca 0.22 -2.89 -0.25 0.00 -0.36 0.00 0.00 55.97 52.69 2dl0 s LYS 83 Cb -0.16 -4.54 -0.10 0.00 -1.51 0.00 0.00 37.83 31.52 2dl0 s LYS 83 CO 0.15 -1.29 0.97 -0.48 -0.36 0.00 0.00 175.35 174.33 2dl0 s LEU 84 N -0.54 4.23 0.51 5.43 0.05 -1.26 -5.03 118.68 122.07 2dl0 s LEU 84 Ca 0.27 1.85 -0.21 0.00 0.05 0.00 0.00 54.13 56.09 2dl0 s LEU 84 Cb -0.10 -4.14 -0.06 0.00 -2.05 0.00 0.00 46.19 39.84 2dl0 s LEU 84 CO -0.08 -0.20 1.14 -2.16 -0.55 0.00 0.00 176.35 174.50 2dl0 s PRO 85 N -2.33 3.51 0.99 1.48 0.04 -1.26 -5.03 135.00 132.39 2dl0 s PRO 85 Ca 0.54 1.67 -0.12 0.00 0.04 0.00 0.00 61.00 63.12 2dl0 s PRO 85 Cb -0.18 -2.15 0.18 0.00 0.04 0.00 0.00 34.50 32.40 2dl0 s PRO 85 CO 0.23 -0.74 1.09 -1.25 0.04 0.00 0.00 177.00 176.37 2dl0 s PRO 86 N -3.08 0.50 0.00 0.56 0.04 -1.26 -5.09 135.00 126.68 2dl0 s PRO 86 Ca 0.69 0.55 0.00 0.00 0.04 0.00 0.00 61.00 62.28 2dl0 s PRO 86 Cb -0.25 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2dl0 s PRO 86 CO 0.29 -2.69 0.00 0.41 0.04 0.00 0.00 177.00 175.05 2dl0 n GLY 87 N -1.08 3.79 0.00 0.56 0.00 -1.26 -4.95 105.19 102.25 2dl0 n GLY 87 Ca 0.05 -1.47 0.08 0.00 0.00 0.00 0.00 46.02 44.68 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 0.44 0.00 1.61 -0.04 -1.26 -4.77 135.00 130.99 2dl0 n PRO 88 Ca 0.00 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 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 0.39 -0.04 0.00 0.00 175.50 175.85 2dl0 n GLU 89 N -1.05 0.44 -1.40 0.54 1.02 -1.26 -5.14 120.64 113.79 2dl0 n GLU 89 Ca 0.11 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.41 2dl0 n GLU 89 Cb 0.07 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.40 2dl0 n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dl0 n ALA 90 N -3.00 -3.67 -1.89 0.62 0.00 -1.26 -4.84 120.51 106.47 2dl0 n ALA 90 Ca 0.00 0.87 -0.35 0.00 0.00 0.00 0.00 53.44 53.96 2dl0 n ALA 90 Cb 0.00 -1.52 -0.07 0.00 0.00 0.00 0.00 19.45 17.86 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 -4.30 4.31 0.34 0.00 1.75 -1.26 -4.94 119.30 115.21 2dl0 s MET 91 Ca 0.00 1.09 0.08 0.00 -1.25 0.00 0.00 55.69 55.61 2dl0 s MET 91 Cb 0.00 -2.50 -0.03 0.00 2.84 0.00 0.00 34.83 35.14 2dl0 s MET 91 CO 0.00 0.15 0.22 0.45 -0.65 0.00 0.00 175.02 175.19 2dl0 s SER 92 N -1.95 4.95 1.11 1.11 0.15 -1.26 -4.93 113.70 112.88 2dl0 s SER 92 Ca 0.55 -0.66 -0.12 0.00 0.70 0.00 0.00 55.95 56.41 2dl0 s SER 92 Cb -0.13 -0.82 0.25 0.00 -1.71 0.00 0.00 66.02 63.61 2dl0 s SER 92 CO 0.18 -0.34 1.05 -0.83 1.20 0.00 0.00 173.24 174.50 2dl0 s GLY 93 N -3.92 1.56 1.04 9.45 0.00 -1.26 -5.01 107.32 109.18 2dl0 s GLY 93 Ca 0.40 -0.09 -0.13 0.00 0.00 0.00 0.00 44.72 44.89 2dl0 s GLY 93 CO 0.25 0.58 1.09 2.56 0.00 0.00 0.00 173.10 177.58 2dl0 s PRO 94 N -4.57 0.11 -0.23 2.90 0.04 -1.26 -5.05 135.00 126.95 2dl0 s PRO 94 Ca 0.68 0.42 -0.00 0.00 0.04 0.00 0.00 61.00 62.13 2dl0 s PRO 94 Cb -0.24 -1.71 0.03 0.00 0.04 0.00 0.00 34.50 32.62 2dl0 s PRO 94 CO 0.63 -2.92 -0.11 -1.12 0.04 0.00 0.00 177.00 173.51 2dl0 s SER 95 N -3.50 3.97 0.09 6.66 0.01 -1.26 -4.83 113.70 114.84 2dl0 s SER 95 Ca 0.66 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 57.08 2dl0 s SER 95 Cb -0.18 -1.60 0.00 0.00 0.21 0.00 0.00 66.02 64.46 2dl0 s SER 95 CO 0.58 -0.09 0.00 -0.24 0.41 0.00 0.00 173.24 173.90 2dl0 n SER 96 N 4.63 -0.79 -0.75 2.44 2.88 -1.26 -5.35 113.62 115.41 2dl0 n SER 96 Ca -0.18 0.31 0.13 0.00 -1.33 0.00 0.00 58.87 57.80 2dl0 n SER 96 Cb 0.47 0.97 0.28 0.00 -0.75 0.00 0.00 64.21 65.19 2dl0 n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42