#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 0.34 0.17 1.61 0.01 -1.26 -5.18 113.70 109.39 2dl0 s SER 2 Ca 0.00 -1.20 0.11 0.00 1.31 0.00 0.00 55.95 56.17 2dl0 s SER 2 Cb 0.00 0.70 -0.04 0.00 0.21 0.00 0.00 66.02 66.89 2dl0 s SER 2 CO 0.00 -1.37 -0.24 -0.44 0.41 0.00 0.00 173.24 171.61 2dl0 s SER 3 N -3.12 3.25 -0.13 2.44 0.01 -1.26 -5.13 113.70 109.76 2dl0 s SER 3 Ca 0.23 -0.83 -0.02 0.00 1.31 0.00 0.00 55.95 56.63 2dl0 s SER 3 Cb -0.02 -0.23 0.04 0.00 0.21 0.00 0.00 66.02 66.03 2dl0 s SER 3 CO 0.14 0.10 0.03 -0.83 0.41 0.00 0.00 173.24 173.09 2dl0 s GLY 4 N -2.51 0.55 -0.29 3.44 0.00 -1.26 -5.09 107.32 102.16 2dl0 s GLY 4 Ca 0.18 -0.38 0.03 0.00 0.00 0.00 0.00 44.72 44.56 2dl0 s GLY 4 CO 0.08 1.33 0.47 -0.45 0.00 0.00 0.00 173.10 174.53 2dl0 s SER 5 N 1.95 -0.31 0.30 1.64 0.15 -1.26 -5.15 113.70 111.02 2dl0 s SER 5 Ca 0.02 -0.19 -0.18 0.00 0.70 0.00 0.00 55.95 56.30 2dl0 s SER 5 Cb -0.15 1.43 0.02 0.00 -1.71 0.00 0.00 66.02 65.61 2dl0 s SER 5 CO -0.07 -0.34 0.69 -0.44 1.20 0.00 0.00 173.24 174.29 2dl0 s SER 6 N 2.64 -0.13 0.00 5.45 0.01 -1.26 -5.16 113.70 115.25 2dl0 s SER 6 Ca 0.10 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.54 2dl0 s SER 6 Cb -0.12 0.74 0.00 0.00 0.21 0.00 0.00 66.02 66.85 2dl0 s SER 6 CO -0.29 -1.40 0.00 0.61 0.41 0.00 0.00 173.24 172.57 2dl0 n GLY 7 N -0.47 1.49 2.48 3.44 0.00 -1.26 -5.05 105.19 105.82 2dl0 n GLY 7 Ca -0.04 -1.72 -0.04 0.00 0.00 0.00 0.00 46.02 44.22 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 1.48 0.20 0.00 -0.02 0.00 -1.26 -5.14 105.19 100.44 2dl0 n GLY 8 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.61 -1.97 2.54 -0.02 0.00 -1.26 -5.00 105.19 98.87 2dl0 n GLY 9 Ca -0.15 -1.32 -0.29 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.08 1.14 -0.70 0.99 0.20 -1.26 -5.08 118.68 111.90 2dl0 s LEU 10 Ca 0.00 -1.91 -0.16 0.00 0.69 0.00 0.00 54.13 52.74 2dl0 s LEU 10 Cb 0.00 -0.49 0.15 0.00 -0.43 0.00 0.00 46.19 45.42 2dl0 s LEU 10 CO 0.00 -0.35 0.72 -0.89 -0.29 0.00 0.00 176.35 175.53 2dl0 s THR 11 N 1.36 5.19 -0.50 3.68 2.01 -1.26 -5.02 115.64 121.10 2dl0 s THR 11 Ca 0.14 -1.71 -0.21 0.00 0.31 0.00 0.00 61.69 60.23 2dl0 s THR 11 Cb -0.21 -4.47 0.05 0.00 0.01 0.00 0.00 72.50 67.88 2dl0 s THR 11 CO -0.13 -1.07 0.72 -0.70 -0.69 0.00 0.00 174.62 172.75 2dl0 s GLU 12 N 1.52 3.22 0.27 4.92 2.56 -1.26 -5.04 118.70 124.89 2dl0 s GLU 12 Ca 0.14 -0.60 -0.25 0.00 0.00 0.00 0.00 54.97 54.26 2dl0 s GLU 12 Cb -0.19 -4.05 -0.09 0.00 2.00 0.00 0.00 34.13 31.80 2dl0 s GLU 12 CO -0.02 -1.24 0.87 0.42 -0.56 0.00 0.00 175.26 174.73 2dl0 s ILE 13 N 3.03 4.30 -0.29 -3.70 1.09 -1.26 -4.99 121.20 119.39 2dl0 s ILE 13 Ca 0.21 1.70 0.21 0.00 -1.10 0.00 0.00 60.65 61.66 2dl0 s ILE 13 Cb -0.16 -4.01 0.49 0.00 -1.06 0.00 0.00 42.46 37.71 2dl0 s ILE 13 CO 0.15 0.23 1.04 0.00 -0.10 0.00 0.00 174.94 176.26 2dl0 s ARG 15 N -3.51 0.21 0.04 0.00 1.04 -1.26 -5.14 118.95 110.34 2dl0 s ARG 15 Ca 0.27 -0.28 -0.19 0.00 -1.04 0.00 0.00 55.73 54.50 2dl0 s ARG 15 Cb 0.38 -1.09 -0.06 0.00 -2.04 0.00 0.00 34.95 32.13 2dl0 s ARG 15 CO -0.01 -0.94 0.55 0.21 -0.04 0.00 0.00 175.30 175.07 2dl0 s LYS 16 N 2.21 4.18 0.65 3.89 2.47 -1.26 -5.08 119.74 126.80 2dl0 s LYS 16 Ca 0.08 0.68 -0.11 0.00 -1.56 0.00 0.00 55.97 55.06 2dl0 s LYS 16 Cb -0.15 -3.26 0.16 0.00 -1.46 0.00 0.00 37.83 33.12 2dl0 s LYS 16 CO -0.30 0.59 0.58 -0.35 0.16 0.00 0.00 175.35 176.03 2dl0 n PRO 17 N 1.95 -2.15 -3.84 4.03 -0.04 -1.26 -5.10 135.00 128.59 2dl0 n PRO 17 Ca -0.10 -0.92 -0.10 0.00 -0.04 0.00 0.00 63.50 62.34 2dl0 n PRO 17 Cb 0.51 -0.86 -0.06 0.00 -0.04 0.00 0.00 33.50 33.05 2dl0 n PRO 17 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2dl0 s VAL 18 N -2.04 0.07 -0.95 0.52 0.11 -1.26 -5.10 120.40 111.74 2dl0 s VAL 18 Ca 0.37 -1.08 -0.04 0.00 -2.93 0.00 0.00 61.98 58.31 2dl0 s VAL 18 Cb -0.04 -1.57 0.24 0.00 -1.53 0.00 0.00 36.38 33.47 2dl0 s VAL 18 CO 0.29 -0.33 0.87 -0.94 -3.33 0.00 0.00 175.10 171.65 2dl0 s SER 19 N -2.90 6.36 0.00 3.54 1.04 -1.26 -4.86 113.70 115.62 2dl0 s SER 19 Ca 0.11 -3.68 0.14 0.00 0.48 0.00 0.00 55.95 53.00 2dl0 s SER 19 Cb 0.02 -1.99 0.67 0.00 0.10 0.00 0.00 66.02 64.82 2dl0 s SER 19 CO -0.05 -0.21 1.43 -0.81 0.98 0.00 0.00 173.24 174.58 2dl0 n PRO 20 N 2.45 0.09 0.00 4.02 -0.04 -1.26 -4.85 135.00 135.41 2dl0 n PRO 20 Ca 0.22 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 2dl0 n PRO 20 Cb 0.38 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 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 -0.04 3.17 3.64 0.55 0.00 -1.26 -5.00 105.19 106.26 2dl0 n GLY 21 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 2.14 4.12 -0.11 0.00 1.01 -1.26 -4.92 121.20 122.18 2dl0 s ILE 23 Ca 0.26 1.52 -0.03 0.00 0.00 0.00 0.00 60.65 62.41 2dl0 s ILE 23 Cb -0.16 -3.98 -0.06 0.00 0.01 0.00 0.00 42.46 38.28 2dl0 s ILE 23 CO 0.09 0.11 -0.13 -1.20 0.00 0.00 0.00 174.94 173.82 2dl0 n SER 24 N 3.98 1.87 -3.26 3.58 7.64 -1.26 -5.02 113.62 121.15 2dl0 n SER 24 Ca 0.09 0.05 -0.19 0.00 1.01 0.00 0.00 58.87 59.83 2dl0 n SER 24 Cb 0.47 -0.26 -0.06 0.00 -1.01 0.00 0.00 64.21 63.35 2dl0 n SER 24 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dl0 n SER 25 N -3.20 0.98 0.08 6.43 3.41 -1.26 -4.89 113.62 115.16 2dl0 n SER 25 Ca -0.21 -2.68 -0.15 0.00 -0.26 0.00 0.00 58.87 55.57 2dl0 n SER 25 Cb 0.68 0.85 -0.09 0.00 -0.26 0.00 0.00 64.21 65.39 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 1.55 0.00 -0.98 -3.33 2.07 -1.87 -2.49 116.25 111.20 2dl0 h VAL 26 Ca -0.24 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.37 2dl0 h VAL 26 Cb 0.94 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.59 2dl0 h VAL 26 CO 0.38 0.00 -0.58 0.28 0.02 0.00 0.00 177.57 177.66 2dl0 h SER 27 N -0.67 -2.15 -1.04 0.57 0.02 -1.92 0.91 113.55 109.28 2dl0 h SER 27 Ca 0.00 0.33 0.31 0.00 -0.84 0.00 0.00 61.79 61.58 2dl0 h SER 27 Cb 0.68 0.95 -0.13 0.00 0.14 0.00 0.00 62.40 64.04 2dl0 h SER 27 CO -0.29 -0.23 0.62 0.44 -1.14 0.00 0.00 176.83 176.23 2dl0 h ASP 28 N -0.01 0.52 0.00 3.07 3.32 -1.89 0.43 116.42 121.86 2dl0 h ASP 28 Ca 0.16 0.16 -0.23 0.00 0.02 0.00 0.00 57.03 57.14 2dl0 h ASP 28 Cb 0.41 0.09 0.01 0.00 0.22 0.00 0.00 39.33 40.06 2dl0 h ASP 28 CO -0.93 -0.05 -0.84 -0.25 -1.72 0.00 0.00 179.24 175.45 2dl0 h TRP 29 N 0.37 0.93 -0.09 4.55 7.01 0.11 -2.77 115.95 126.07 2dl0 h TRP 29 Ca 0.70 -0.44 -0.01 0.00 2.11 0.00 0.00 58.89 61.25 2dl0 h TRP 29 Cb 1.63 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 28.55 2dl0 h TRP 29 CO -0.01 1.26 0.00 -0.07 -2.79 0.00 0.00 178.44 176.83 2dl0 h LEU 30 N 0.44 0.11 0.00 0.65 3.38 0.33 -1.72 115.31 118.49 2dl0 h LEU 30 Ca -0.07 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.70 2dl0 h LEU 30 Cb 1.46 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 42.16 2dl0 h LEU 30 CO 0.16 0.14 -0.94 0.40 0.09 0.00 0.00 178.44 178.29 2dl0 h ILE 31 N 0.12 1.56 0.00 1.22 2.04 -1.12 0.15 117.51 121.48 2dl0 h ILE 31 Ca 0.03 -3.21 0.00 0.00 1.00 0.00 0.00 64.86 62.68 2dl0 h ILE 31 Cb 0.09 2.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 2dl0 h ILE 31 CO 0.00 0.89 0.00 -0.24 0.00 0.00 0.00 178.15 178.80 2dl0 n SER 32 N -3.32 0.00 -0.03 1.72 2.88 -0.66 -2.33 113.62 111.89 2dl0 n SER 32 Ca -0.00 -0.07 0.01 0.00 -1.33 0.00 0.00 58.87 57.48 2dl0 n SER 32 Cb 0.91 -0.25 -0.01 0.00 -0.75 0.00 0.00 64.21 64.11 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 -1.25 0.00 -1.57 2.46 -5.35 -1.13 -5.01 119.36 107.52 2dl0 n ILE 33 Ca 0.10 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.13 2dl0 n ILE 33 Cb 0.14 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.06 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 0.86 0.64 2.58 3.28 0.00 -0.98 -4.98 105.19 106.59 2dl0 n GLY 34 Ca 0.01 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 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 2.63 0.00 0.99 4.77 0.51 -4.86 117.00 121.04 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 0.37 0.16 0.34 0.00 -2.33 0.00 0.00 43.42 41.96 2dl0 n LEU 35 CO 0.00 1.61 0.71 -0.81 -1.33 0.00 0.00 177.39 177.57 2dl0 n PRO 36 N -0.41 0.11 0.00 3.23 -0.04 -1.10 -2.69 135.00 134.11 2dl0 n PRO 36 Ca 0.19 0.20 0.09 0.00 -0.04 0.00 0.00 63.50 63.94 2dl0 n PRO 36 Cb 0.81 -1.50 0.54 0.00 -0.04 0.00 0.00 33.50 33.31 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 -1.39 0.63 0.00 0.54 0.00 -1.26 -2.06 117.12 113.58 2dl0 n MET 37 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 57.70 57.78 2dl0 n MET 37 Cb 0.14 -1.45 -0.02 0.00 0.00 0.00 0.00 33.22 31.88 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 -0.95 0.00 -0.17 3.17 4.01 -1.09 -4.64 117.16 117.48 2dl0 n TYR 38 Ca 0.14 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.83 2dl0 n TYR 38 Cb 0.06 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.05 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 -1.00 -0.26 0.19 -0.72 0.00 -0.88 -0.17 120.51 117.67 2dl0 n ALA 39 Ca 0.01 0.34 0.04 0.00 0.00 0.00 0.00 53.44 53.83 2dl0 n ALA 39 Cb 0.09 0.23 0.37 0.00 0.00 0.00 0.00 19.45 20.14 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 0.99 0.00 0.00 -1.86 -1.85 103.07 100.35 2dl0 h GLY 40 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 2dl0 h GLY 40 CO -0.38 0.00 -0.43 -0.84 0.00 0.00 0.00 176.54 174.89 2dl0 h THR 41 N 0.00 0.12 -0.46 4.70 2.02 -0.95 -1.32 112.91 117.01 2dl0 h THR 41 Ca -0.00 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.05 2dl0 h THR 41 Cb 0.76 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 2dl0 h THR 41 CO 0.05 0.00 -0.22 -0.07 0.37 0.00 0.00 175.52 175.65 2dl0 h LEU 42 N -1.19 0.99 -1.02 2.58 3.38 -0.60 -2.84 115.31 116.61 2dl0 h LEU 42 Ca -0.12 -0.40 0.15 0.00 0.09 0.00 0.00 57.88 57.60 2dl0 h LEU 42 Cb 0.92 -0.27 -0.09 0.00 0.09 0.00 0.00 40.66 41.31 2dl0 h LEU 42 CO 0.19 1.17 0.63 -1.28 0.09 0.00 0.00 178.44 179.23 2dl0 h SER 43 N 0.81 0.87 -0.09 -0.43 0.87 -1.30 0.90 113.55 115.18 2dl0 h SER 43 Ca 0.10 0.07 -0.16 0.00 -1.23 0.00 0.00 61.79 60.57 2dl0 h SER 43 Cb 0.79 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.64 2dl0 h SER 43 CO 0.07 0.41 -0.52 0.74 -0.53 0.00 0.00 176.83 177.00 2dl0 h THR 44 N 0.91 1.30 0.00 2.23 2.02 -1.10 -2.82 112.91 115.45 2dl0 h THR 44 Ca 0.53 -1.73 0.00 0.00 0.77 0.00 0.00 66.41 65.97 2dl0 h THR 44 Cb 0.65 1.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 2dl0 h THR 44 CO -0.30 0.55 0.00 0.00 0.37 0.00 0.00 175.52 176.13 2dl0 h ALA 45 N 0.91 1.00 0.00 6.16 0.00 -0.87 -3.45 119.26 123.01 2dl0 h ALA 45 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2dl0 h ALA 45 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2dl0 h ALA 45 CO 0.10 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.76 2dl0 n GLY 46 N -0.36 1.30 3.56 0.00 0.00 -0.69 -5.06 105.19 103.93 2dl0 n GLY 46 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.35 1.69 -0.01 1.61 0.08 0.15 -4.52 117.98 115.63 2dl0 s PHE 47 Ca 0.00 0.86 0.01 0.00 0.12 0.00 0.00 56.93 57.92 2dl0 s PHE 47 Cb 0.00 -3.94 -0.01 0.00 -0.57 0.00 0.00 43.02 38.49 2dl0 s PHE 47 CO 0.00 -1.73 0.01 -1.13 -0.10 0.00 0.00 175.22 172.27 2dl0 n SER 48 N 14.73 4.74 -4.90 1.36 3.41 -1.26 -3.46 113.62 128.24 2dl0 n SER 48 Ca 0.41 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.69 2dl0 n SER 48 Cb 0.46 0.64 -0.05 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 5.30 -1.14 6.66 -4.23 -1.26 -4.46 115.64 114.48 2dl0 s THR 49 Ca -0.01 -0.06 0.28 0.00 -1.18 0.00 0.00 61.69 60.72 2dl0 s THR 49 Cb 0.00 -3.60 0.32 0.00 1.34 0.00 0.00 72.50 70.56 2dl0 s THR 49 CO 0.04 0.21 1.92 0.18 -0.54 0.00 0.00 174.62 176.43 2dl0 n LEU 50 N 0.58 0.00 0.20 4.79 4.77 -1.26 -3.18 117.00 122.90 2dl0 n LEU 50 Ca -0.07 0.43 0.07 0.00 -0.03 0.00 0.00 56.01 56.41 2dl0 n LEU 50 Cb 0.52 -0.43 0.39 0.00 -2.33 0.00 0.00 43.42 41.56 2dl0 n LEU 50 CO 0.47 -0.02 0.73 0.28 -1.33 0.00 0.00 177.39 177.52 2dl0 h SER 51 N 0.00 0.00 0.42 -1.43 0.02 -2.00 -2.82 113.55 107.74 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 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2dl0 h SER 51 CO 0.00 0.32 -0.92 0.00 -1.14 0.00 0.00 176.83 175.09 2dl0 n GLN 52 N -3.50 0.22 0.40 3.45 10.64 -1.19 -4.31 117.38 123.08 2dl0 n GLN 52 Ca -0.00 0.00 -0.19 0.00 -1.83 0.00 0.00 57.00 54.98 2dl0 n GLN 52 Cb 0.47 -1.57 -0.09 0.00 -0.86 0.00 0.00 30.24 28.19 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 0.21 0.00 -0.39 2.07 -1.59 -2.18 116.25 114.37 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 0.67 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 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 -5.54 0.49 -0.43 1.57 -0.04 -1.25 -2.17 135.00 127.62 2dl0 n PRO 54 Ca -0.14 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.38 2dl0 n PRO 54 Cb 0.42 -1.45 0.20 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.95 2.85 -3.39 3.54 7.64 -0.83 -4.42 113.62 118.06 2dl0 n SER 55 Ca 0.11 -3.32 -0.27 0.00 1.01 0.00 0.00 58.87 56.40 2dl0 n SER 55 Cb 0.05 -0.53 0.26 0.00 -1.01 0.00 0.00 64.21 62.98 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 -1.00 -0.62 -3.64 -3.43 4.77 -0.92 -5.02 117.00 107.13 2dl0 n LEU 56 Ca 0.22 -0.72 -0.06 0.00 -0.03 0.00 0.00 56.01 55.42 2dl0 n LEU 56 Cb 0.83 -0.96 -0.07 0.00 -2.33 0.00 0.00 43.42 40.89 2dl0 n LEU 56 CO 0.10 -4.24 0.67 -0.55 -1.33 0.00 0.00 177.39 172.03 2dl0 s SER 57 N -2.78 -0.53 0.26 -1.43 0.15 -1.26 -4.96 113.70 103.14 2dl0 s SER 57 Ca 0.60 0.92 0.07 0.00 0.70 0.00 0.00 55.95 58.25 2dl0 s SER 57 Cb -0.11 1.08 0.78 0.00 -1.71 0.00 0.00 66.02 66.06 2dl0 s SER 57 CO 0.51 -0.15 1.23 1.57 1.20 0.00 0.00 173.24 177.60 2dl0 n HIS 58 N 3.05 0.66 -0.02 3.44 -0.00 -1.26 0.19 115.22 121.28 2dl0 n HIS 58 Ca -0.16 0.93 -0.17 0.00 0.46 0.00 0.00 57.72 58.78 2dl0 n HIS 58 Cb 0.57 -1.19 -0.08 0.00 -0.12 0.00 0.00 29.99 29.17 2dl0 n HIS 58 CO 0.00 0.00 0.00 1.15 0.46 0.00 0.00 176.34 177.95 2dl0 h THR 59 N 0.00 1.32 -0.57 3.57 2.02 -1.98 -2.93 112.91 114.34 2dl0 h THR 59 Ca 0.55 -1.94 0.11 0.00 0.77 0.00 0.00 66.41 65.90 2dl0 h THR 59 Cb 1.29 2.13 -0.09 0.00 -1.74 0.00 0.00 68.15 69.74 2dl0 h THR 59 CO -0.68 0.60 0.08 0.00 0.37 0.00 0.00 175.52 175.89 2dl0 h LEU 61 N 0.20 1.04 -0.86 0.00 3.38 -1.30 -2.91 115.31 114.86 2dl0 h LEU 61 Ca 0.30 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2dl0 h LEU 61 Cb 0.45 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 2dl0 h LEU 61 CO -0.42 1.08 0.49 1.56 0.09 0.00 0.00 178.44 181.24 2dl0 h GLN 62 N 0.98 1.19 -0.41 1.13 4.20 -0.97 -1.54 115.11 119.68 2dl0 h GLN 62 Ca 0.18 -0.13 0.07 0.00 0.06 0.00 0.00 58.65 58.83 2dl0 h GLN 62 Cb 0.53 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 2dl0 h GLN 62 CO 0.03 0.85 0.28 0.93 -0.67 0.00 0.00 178.83 180.25 2dl0 h GLU 63 N 1.19 0.26 0.00 1.46 5.08 -0.74 -0.43 114.58 121.40 2dl0 h GLU 63 Ca 0.31 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.49 2dl0 h GLU 63 Cb -0.00 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2dl0 h GLU 63 CO -0.05 0.17 -0.78 0.00 -1.00 0.00 0.00 179.01 177.35 2dl0 h ALA 64 N 1.78 0.62 0.00 3.43 0.00 -1.31 -3.47 119.26 120.30 2dl0 h ALA 64 Ca 0.18 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2dl0 h ALA 64 Cb 0.39 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2dl0 h ALA 64 CO -0.04 0.98 0.00 0.41 0.00 0.00 0.00 179.25 180.60 2dl0 n GLY 65 N 0.94 0.27 3.69 0.00 0.00 -0.17 -4.95 105.19 104.97 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 -1.07 4.77 0.00 -0.61 1.01 -0.65 -4.88 121.20 119.77 2dl0 s ILE 66 Ca 0.00 2.02 0.00 0.00 0.00 0.00 0.00 60.65 62.67 2dl0 s ILE 66 Cb 0.00 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 38.17 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 4.36 0.00 -1.51 2.92 -2.24 -1.26 -3.34 114.28 113.20 2dl0 n THR 67 Ca 0.08 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.68 2dl0 n THR 67 Cb 0.49 -0.59 -0.16 0.00 -2.10 0.00 0.00 70.33 67.97 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 -1.66 0.22 -0.33 -0.78 0.00 -1.26 -4.68 120.64 112.16 2dl0 n GLU 68 Ca 0.00 -0.36 0.35 0.00 0.00 0.00 0.00 57.16 57.15 2dl0 n GLU 68 Cb 0.34 -2.11 0.64 0.00 0.00 0.00 0.00 31.44 30.31 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 11.63 0.00 -0.34 3.44 4.57 -1.98 0.89 114.58 132.80 2dl0 h GLU 69 Ca 0.02 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.14 2dl0 h GLU 69 Cb 1.07 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.65 2dl0 h GLU 69 CO 1.36 0.00 -0.03 -0.09 -1.18 0.00 0.00 179.01 179.07 2dl0 h ARG 70 N 0.00 0.62 0.18 1.92 2.43 -2.01 -2.09 114.38 115.43 2dl0 h ARG 70 Ca 0.59 -0.21 -0.30 0.00 -0.81 0.00 0.00 59.98 59.24 2dl0 h ARG 70 Cb 2.79 -0.05 0.02 0.00 -0.42 0.00 0.00 29.97 32.31 2dl0 h ARG 70 CO -0.01 0.75 -1.36 0.45 -1.51 0.00 0.00 179.97 178.30 2dl0 h HIS 71 N 0.41 0.70 -0.46 2.20 3.86 0.34 -3.14 115.15 119.06 2dl0 h HIS 71 Ca 0.09 -0.51 0.04 0.00 -1.16 0.00 0.00 60.37 58.83 2dl0 h HIS 71 Cb 0.49 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.90 2dl0 h HIS 71 CO 0.04 1.40 0.23 0.82 0.86 0.00 0.00 177.93 181.29 2dl0 h ILE 72 N 0.10 0.96 -0.47 2.45 2.04 -0.97 -0.55 117.51 121.08 2dl0 h ILE 72 Ca -0.19 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.47 2dl0 h ILE 72 Cb 2.06 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.58 2dl0 h ILE 72 CO 0.23 0.08 0.14 0.03 0.00 0.00 0.00 178.15 178.63 2dl0 h ARG 73 N 0.46 0.74 -0.36 2.37 2.47 -1.48 -1.56 114.38 117.01 2dl0 h ARG 73 Ca 0.20 -0.17 0.02 0.00 -1.26 0.00 0.00 59.98 58.77 2dl0 h ARG 73 Cb 0.11 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.30 2dl0 h ARG 73 CO -0.14 0.71 0.21 -0.22 0.56 0.00 0.00 179.97 181.08 2dl0 h LYS 74 N 0.63 0.41 -0.33 0.04 3.64 -1.40 0.89 116.57 120.45 2dl0 h LYS 74 Ca 0.15 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2dl0 h LYS 74 Cb 0.29 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 2dl0 h LYS 74 CO -0.00 0.27 0.17 -0.07 -2.27 0.00 0.00 179.45 177.55 2dl0 h LEU 75 N 0.42 0.43 -1.50 5.20 3.38 -0.98 0.28 115.31 122.54 2dl0 h LEU 75 Ca 0.15 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2dl0 h LEU 75 Cb 0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2dl0 h LEU 75 CO -0.07 0.42 -0.14 -0.07 0.09 0.00 0.00 178.44 178.66 2dl0 h LEU 76 N 0.41 0.14 0.16 1.67 3.38 -0.99 0.27 115.31 120.35 2dl0 h LEU 76 Ca 0.12 -0.03 -0.29 0.00 0.09 0.00 0.00 57.88 57.77 2dl0 h LEU 76 Cb 0.10 -0.04 0.03 0.00 0.09 0.00 0.00 40.66 40.84 2dl0 h LEU 76 CO -0.02 0.30 -1.22 -1.28 0.09 0.00 0.00 178.44 176.32 2dl0 h SER 77 N 0.15 0.80 0.20 -0.43 0.87 -0.33 -3.00 113.55 111.80 2dl0 h SER 77 Ca 0.03 -0.87 -0.17 0.00 -1.23 0.00 0.00 61.79 59.55 2dl0 h SER 77 Cb 0.34 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 2dl0 h SER 77 CO 0.02 1.59 -0.64 0.00 -0.53 0.00 0.00 176.83 177.27 2dl0 h ALA 78 N 0.22 0.69 -0.25 6.23 0.00 -0.20 -2.91 119.26 123.03 2dl0 h ALA 78 Ca -0.20 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.13 2dl0 h ALA 78 Cb 1.92 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 2dl0 h ALA 78 CO 0.23 0.73 0.08 0.00 0.00 0.00 0.00 179.25 180.29 2dl0 h ALA 79 N 1.00 0.32 0.00 0.00 0.00 -0.56 -2.20 119.26 117.82 2dl0 h ALA 79 Ca -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2dl0 h ALA 79 Cb 1.19 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2dl0 h ALA 79 CO 0.11 -0.05 -0.03 0.00 0.00 0.00 0.00 179.25 179.28 2dl0 h ARG 80 N 0.23 0.00 -0.01 0.00 3.08 -1.55 -1.21 114.38 114.93 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 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2dl0 h ARG 80 CO -0.00 0.03 -0.27 1.28 -1.07 0.00 0.00 179.97 179.94 2dl0 n LEU 81 N -3.20 0.85 -4.56 3.04 4.77 -0.92 -4.79 117.00 112.20 2dl0 n LEU 81 Ca -0.01 -0.17 -0.40 0.00 -0.03 0.00 0.00 56.01 55.40 2dl0 n LEU 81 Cb 0.23 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 2dl0 n LEU 81 CO 0.26 0.16 1.35 0.12 -1.33 0.00 0.00 177.39 177.95 2dl0 s PHE 82 N -2.58 2.05 -0.54 -1.77 5.36 -0.46 -4.96 117.98 115.09 2dl0 s PHE 82 Ca 0.23 0.39 -0.22 0.00 -0.96 0.00 0.00 56.93 56.36 2dl0 s PHE 82 Cb 0.19 -4.37 0.05 0.00 -0.34 0.00 0.00 43.02 38.55 2dl0 s PHE 82 CO 0.54 -2.15 0.83 0.21 -1.46 0.00 0.00 175.22 173.19 2dl0 s LYS 83 N 6.13 3.24 0.35 10.12 2.20 -1.26 -4.89 119.74 135.63 2dl0 s LYS 83 Ca 0.51 -0.52 -0.26 0.00 -0.36 0.00 0.00 55.97 55.35 2dl0 s LYS 83 Cb -0.11 -4.08 -0.10 0.00 -1.51 0.00 0.00 37.83 32.04 2dl0 s LYS 83 CO 0.20 -1.42 0.99 -0.51 -0.36 0.00 0.00 175.35 174.25 2dl0 s LEU 84 N 3.50 4.28 1.01 5.43 1.43 -1.26 -5.05 118.68 128.02 2dl0 s LEU 84 Ca 0.24 1.93 -0.12 0.00 -1.03 0.00 0.00 54.13 55.15 2dl0 s LEU 84 Cb -0.15 -4.05 0.20 0.00 0.03 0.00 0.00 46.19 42.21 2dl0 s LEU 84 CO 0.16 -0.22 1.09 -2.16 0.23 0.00 0.00 176.35 175.46 2dl0 s PRO 85 N -2.18 0.32 0.79 1.29 0.04 -1.26 -5.03 135.00 128.97 2dl0 s PRO 85 Ca 0.52 0.49 -0.11 0.00 0.04 0.00 0.00 61.00 61.95 2dl0 s PRO 85 Cb -0.20 -1.73 0.07 0.00 0.04 0.00 0.00 34.50 32.68 2dl0 s PRO 85 CO 0.26 -2.80 1.09 -1.25 0.04 0.00 0.00 177.00 174.34 2dl0 s PRO 86 N -4.96 2.09 0.00 0.56 0.04 -1.26 -5.01 135.00 126.46 2dl0 s PRO 86 Ca 0.66 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.81 2dl0 s PRO 86 Cb -0.19 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2dl0 s PRO 86 CO 0.58 -1.74 0.00 0.41 0.04 0.00 0.00 177.00 176.28 2dl0 n GLY 87 N -1.19 -0.25 0.00 0.56 0.00 -1.26 -5.01 105.19 98.04 2dl0 n GLY 87 Ca 0.09 0.35 0.08 0.00 0.00 0.00 0.00 46.02 46.53 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 0.33 0.23 1.61 -0.04 -1.26 -3.33 135.00 132.54 2dl0 n PRO 88 Ca 0.00 0.08 0.11 0.00 -0.04 0.00 0.00 63.50 63.65 2dl0 n PRO 88 Cb 0.00 -1.50 0.60 0.00 -0.04 0.00 0.00 33.50 32.56 2dl0 n PRO 88 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2dl0 h GLU 89 N 0.00 0.00 -6.11 0.54 4.57 -2.02 -3.40 114.58 108.16 2dl0 h GLU 89 Ca 0.00 0.00 -0.66 0.00 -1.18 0.00 0.00 59.36 57.52 2dl0 h GLU 89 Cb 0.08 0.00 -0.13 0.00 -0.16 0.00 0.00 28.75 28.54 2dl0 h GLU 89 CO 0.00 0.00 -0.62 0.00 -1.18 0.00 0.00 179.01 177.21 2dl0 s ALA 90 N -3.65 3.37 1.13 2.92 0.00 -1.21 -5.11 121.76 119.21 2dl0 s ALA 90 Ca -0.02 -0.92 -0.14 0.00 0.00 0.00 0.00 51.96 50.87 2dl0 s ALA 90 Cb 0.06 -1.41 0.26 0.00 0.00 0.00 0.00 23.12 22.03 2dl0 s ALA 90 CO 0.20 0.66 1.05 0.00 0.00 0.00 0.00 175.76 177.67 2dl0 s MET 91 N -1.60 -0.65 -0.30 0.00 0.23 -1.26 -5.06 119.30 110.66 2dl0 s MET 91 Ca 0.20 0.57 -0.16 0.00 -1.03 0.00 0.00 55.69 55.27 2dl0 s MET 91 Cb -0.12 -1.61 0.18 0.00 -1.53 0.00 0.00 34.83 31.75 2dl0 s MET 91 CO 0.11 -3.47 1.17 -1.12 -2.03 0.00 0.00 175.02 169.67 2dl0 s SER 92 N -3.02 -0.15 0.12 -1.18 0.01 -1.26 -5.12 113.70 103.09 2dl0 s SER 92 Ca 0.67 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.98 2dl0 s SER 92 Cb -0.21 1.11 0.00 0.00 0.21 0.00 0.00 66.02 67.13 2dl0 s SER 92 CO 0.61 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.84 2dl0 n GLY 93 N 5.23 0.60 3.62 3.44 0.00 -1.26 -4.71 105.19 112.10 2dl0 n GLY 93 Ca 0.02 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.62 -0.04 1.61 0.04 -1.26 -5.00 135.00 129.72 2dl0 s PRO 94 Ca 0.00 0.15 -0.21 0.00 0.04 0.00 0.00 61.00 60.98 2dl0 s PRO 94 Cb 0.00 -1.65 -0.15 0.00 0.04 0.00 0.00 34.50 32.74 2dl0 s PRO 94 CO 0.00 -3.36 0.89 0.77 0.04 0.00 0.00 177.00 175.34 2dl0 h SER 95 N -2.33 -0.22 -3.19 6.66 0.02 -2.07 -3.44 113.55 108.99 2dl0 h SER 95 Ca -0.49 -0.31 -0.62 0.00 -0.84 0.00 0.00 61.79 59.53 2dl0 h SER 95 Cb 1.31 0.06 -0.35 0.00 0.14 0.00 0.00 62.40 63.56 2dl0 h SER 95 CO 0.44 0.31 -0.85 -0.55 -1.14 0.00 0.00 176.83 175.04 2dl0 s SER 96 N -5.40 2.75 0.00 3.07 0.15 -1.26 -5.18 113.70 107.83 2dl0 s SER 96 Ca -0.12 -0.51 0.31 0.00 0.70 0.00 0.00 55.95 56.33 2dl0 s SER 96 Cb 0.01 -1.25 1.79 0.00 -1.71 0.00 0.00 66.02 64.86 2dl0 s SER 96 CO 0.47 0.01 2.16 0.61 1.20 0.00 0.00 173.24 177.69