#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 -0.48 1.02 1.61 0.15 -1.26 -5.16 113.70 109.58 2dl0 s SER 2 Ca 0.00 0.90 -0.20 0.00 0.70 0.00 0.00 55.95 57.36 2dl0 s SER 2 Cb 0.00 0.96 -0.06 0.00 -1.71 0.00 0.00 66.02 65.21 2dl0 s SER 2 CO 0.00 -0.15 -0.54 -1.20 1.20 0.00 0.00 173.24 172.55 2dl0 n SER 3 N 2.46 -3.40 -4.47 5.45 7.64 -1.26 -4.81 113.62 115.23 2dl0 n SER 3 Ca -0.13 0.08 -0.44 0.00 1.01 0.00 0.00 58.87 59.39 2dl0 n SER 3 Cb 0.56 -0.84 -0.00 0.00 -1.01 0.00 0.00 64.21 62.92 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 -1.44 2.26 -0.11 0.23 0.00 -1.26 -4.91 107.32 102.09 2dl0 s GLY 4 Ca 0.47 -3.23 -0.32 0.00 0.00 0.00 0.00 44.72 41.64 2dl0 s GLY 4 CO 0.71 2.12 1.09 -0.45 0.00 0.00 0.00 173.10 176.56 2dl0 s SER 5 N 3.10 -0.22 -0.27 1.64 0.15 -1.26 -5.19 113.70 111.65 2dl0 s SER 5 Ca 0.42 -0.01 -0.29 0.00 0.70 0.00 0.00 55.95 56.77 2dl0 s SER 5 Cb -0.02 0.24 0.18 0.00 -1.71 0.00 0.00 66.02 64.71 2dl0 s SER 5 CO -0.01 -0.39 1.30 -0.44 1.20 0.00 0.00 173.24 174.91 2dl0 s SER 6 N -2.33 -0.09 0.00 5.45 0.01 -1.26 -5.16 113.70 110.33 2dl0 s SER 6 Ca 0.08 0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.43 2dl0 s SER 6 Cb -0.01 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.29 2dl0 s SER 6 CO -0.06 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.12 2dl0 n GLY 7 N 0.54 3.36 0.91 3.44 0.00 -1.26 -5.08 105.19 107.09 2dl0 n GLY 7 Ca -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.05 0.00 0.00 -0.02 0.00 -1.26 -5.17 105.19 97.69 2dl0 n GLY 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 2.72 0.73 3.02 -0.02 0.00 -1.26 -5.05 105.19 105.32 2dl0 n GLY 9 Ca 0.00 -2.17 -0.30 0.00 0.00 0.00 0.00 46.02 43.55 2dl0 n GLY 9 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dl0 s LEU 10 N 0.00 1.74 0.14 0.99 2.01 -1.26 -5.03 118.68 117.26 2dl0 s LEU 10 Ca 0.00 -0.52 -0.28 0.00 0.01 0.00 0.00 54.13 53.34 2dl0 s LEU 10 Cb 0.00 -1.19 -0.03 0.00 0.01 0.00 0.00 46.19 44.97 2dl0 s LEU 10 CO 0.00 -0.06 1.58 0.74 1.01 0.00 0.00 176.35 179.62 2dl0 h THR 11 N 6.07 0.15 -1.91 5.49 2.02 -2.09 -3.47 112.91 119.17 2dl0 h THR 11 Ca -0.38 0.00 0.14 0.00 0.77 0.00 0.00 66.41 66.94 2dl0 h THR 11 Cb 1.13 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 2dl0 h THR 11 CO 0.53 0.00 -0.19 1.21 0.37 0.00 0.00 175.52 177.44 2dl0 n GLU 12 N -5.43 -1.06 -3.59 6.66 2.13 -1.26 -4.78 120.64 113.31 2dl0 n GLU 12 Ca -0.03 0.70 -0.32 0.00 0.66 0.00 0.00 57.16 58.17 2dl0 n GLU 12 Cb 0.35 -1.29 -0.05 0.00 0.27 0.00 0.00 31.44 30.72 2dl0 n GLU 12 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 2dl0 s ILE 13 N -0.93 5.09 -0.03 6.31 -4.36 -1.26 -5.10 121.20 120.92 2dl0 s ILE 13 Ca 0.00 0.23 0.03 0.00 -0.26 0.00 0.00 60.65 60.65 2dl0 s ILE 13 Cb 0.00 -3.63 -0.03 0.00 1.25 0.00 0.00 42.46 40.05 2dl0 s ILE 13 CO 0.00 0.07 -0.09 0.00 0.24 0.00 0.00 174.94 175.16 2dl0 s ARG 15 N -1.06 0.55 0.21 0.00 6.06 -1.26 -5.16 118.95 118.29 2dl0 s ARG 15 Ca 0.14 0.09 -0.03 0.00 -2.50 0.00 0.00 55.73 53.43 2dl0 s ARG 15 Cb -0.11 0.13 -0.05 0.00 0.06 0.00 0.00 34.95 34.98 2dl0 s ARG 15 CO 0.04 -0.88 0.44 0.15 -2.50 0.00 0.00 175.30 172.55 2dl0 s LYS 16 N 2.34 3.59 0.64 5.12 3.01 -1.26 -5.08 119.74 128.10 2dl0 s LYS 16 Ca 0.15 -0.16 -0.16 0.00 -1.01 0.00 0.00 55.97 54.80 2dl0 s LYS 16 Cb -0.05 -2.78 -0.01 0.00 -1.01 0.00 0.00 37.83 33.99 2dl0 s LYS 16 CO -0.17 0.36 1.11 -1.25 0.51 0.00 0.00 175.35 175.92 2dl0 s PRO 17 N -3.20 2.88 -0.17 -1.68 0.04 -1.26 -5.04 135.00 126.57 2dl0 s PRO 17 Ca 0.41 1.42 -0.08 0.00 0.04 0.00 0.00 61.00 62.80 2dl0 s PRO 17 Cb -0.11 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 2dl0 s PRO 17 CO 0.28 -1.19 0.08 0.14 0.04 0.00 0.00 177.00 176.35 2dl0 s VAL 18 N -2.26 4.96 0.10 -0.36 -7.23 -1.26 -5.02 120.40 109.33 2dl0 s VAL 18 Ca 0.68 0.02 -0.28 0.00 -1.81 0.00 0.00 61.98 60.59 2dl0 s VAL 18 Cb -0.21 -3.22 -0.10 0.00 0.56 0.00 0.00 36.38 33.40 2dl0 s VAL 18 CO 0.39 0.48 1.46 0.28 -0.31 0.00 0.00 175.10 177.41 2dl0 h SER 19 N 6.41 -1.51 -3.86 4.85 0.02 -1.96 -3.41 113.55 114.09 2dl0 h SER 19 Ca -0.40 0.19 -0.52 0.00 -0.84 0.00 0.00 61.79 60.22 2dl0 h SER 19 Cb 1.17 0.60 0.05 0.00 0.14 0.00 0.00 62.40 64.36 2dl0 h SER 19 CO 0.69 -0.38 0.57 -2.16 -1.14 0.00 0.00 176.83 174.41 2dl0 s PRO 20 N -5.26 4.43 0.00 3.45 0.04 -1.26 -3.59 135.00 132.80 2dl0 s PRO 20 Ca -0.13 2.04 0.00 0.00 0.04 0.00 0.00 61.00 62.95 2dl0 s PRO 20 Cb 0.06 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.53 2dl0 s PRO 20 CO 0.52 -0.06 0.00 0.41 0.04 0.00 0.00 177.00 177.91 2dl0 n GLY 21 N 0.92 2.34 2.95 0.56 0.00 -1.26 -5.03 105.19 105.66 2dl0 n GLY 21 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 2dl0 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dl0 s ILE 23 N 0.63 3.98 -0.01 0.00 1.01 -1.26 -4.97 121.20 120.58 2dl0 s ILE 23 Ca 0.13 -0.36 -0.00 0.00 0.00 0.00 0.00 60.65 60.42 2dl0 s ILE 23 Cb -0.21 -2.68 -0.00 0.00 0.01 0.00 0.00 42.46 39.57 2dl0 s ILE 23 CO -0.07 0.56 -0.01 -1.20 0.00 0.00 0.00 174.94 174.22 2dl0 n SER 24 N 2.64 2.93 -3.35 3.58 7.64 -1.26 -5.04 113.62 120.76 2dl0 n SER 24 Ca -0.18 -0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.50 2dl0 n SER 24 Cb 0.53 -0.01 -0.07 0.00 -1.01 0.00 0.00 64.21 63.65 2dl0 n SER 24 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dl0 n SER 25 N -2.66 0.48 0.06 6.43 7.64 -1.26 -4.92 113.62 119.39 2dl0 n SER 25 Ca -0.01 -2.93 -0.08 0.00 1.01 0.00 0.00 58.87 56.85 2dl0 n SER 25 Cb 0.51 1.14 -0.05 0.00 -1.01 0.00 0.00 64.21 64.80 2dl0 n SER 25 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2dl0 h VAL 26 N 1.74 0.00 -0.90 0.44 2.07 -1.90 -2.15 116.25 115.55 2dl0 h VAL 26 Ca -0.25 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.42 2dl0 h VAL 26 Cb 1.07 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.69 2dl0 h VAL 26 CO 0.39 0.00 -0.31 -1.20 0.02 0.00 0.00 177.57 176.47 2dl0 n SER 27 N -3.91 -0.49 -0.35 0.57 7.64 -1.26 0.18 113.62 116.00 2dl0 n SER 27 Ca -0.04 1.56 0.09 0.00 1.01 0.00 0.00 58.87 61.49 2dl0 n SER 27 Cb 0.20 -0.40 0.26 0.00 -1.01 0.00 0.00 64.21 63.27 2dl0 n SER 27 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2dl0 h ASP 28 N 0.00 0.83 -0.08 6.43 3.32 -1.86 -0.47 116.42 124.59 2dl0 h ASP 28 Ca 0.35 0.07 -0.20 0.00 0.02 0.00 0.00 57.03 57.28 2dl0 h ASP 28 Cb 0.58 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.05 2dl0 h ASP 28 CO -0.91 0.38 -0.67 -0.25 -1.72 0.00 0.00 179.24 176.07 2dl0 h TRP 29 N 0.87 0.93 -0.15 4.55 7.01 0.26 -2.43 115.95 126.99 2dl0 h TRP 29 Ca 0.52 -0.37 -0.03 0.00 2.11 0.00 0.00 58.89 61.11 2dl0 h TRP 29 Cb 0.65 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.54 2dl0 h TRP 29 CO -0.02 1.18 -0.05 -0.07 -2.79 0.00 0.00 178.44 176.69 2dl0 h LEU 30 N 0.51 0.20 0.09 0.65 3.38 0.83 -2.64 115.31 118.33 2dl0 h LEU 30 Ca -0.02 -0.03 -0.26 0.00 0.09 0.00 0.00 57.88 57.66 2dl0 h LEU 30 Cb 1.27 -0.05 0.03 0.00 0.09 0.00 0.00 40.66 42.00 2dl0 h LEU 30 CO 0.14 0.28 -1.08 0.40 0.09 0.00 0.00 178.44 178.27 2dl0 h ILE 31 N 0.21 1.32 0.00 1.22 2.04 -1.07 0.15 117.51 121.39 2dl0 h ILE 31 Ca 0.05 -2.38 0.00 0.00 1.00 0.00 0.00 64.86 63.53 2dl0 h ILE 31 Cb 0.23 2.69 0.00 0.00 -0.74 0.00 0.00 36.82 39.00 2dl0 h ILE 31 CO 0.01 0.72 0.00 -1.28 0.00 0.00 0.00 178.15 177.60 2dl0 h SER 32 N 0.17 0.00 0.00 1.72 0.87 -1.10 -0.66 113.55 114.55 2dl0 h SER 32 Ca -0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 2dl0 h SER 32 Cb 1.77 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.73 2dl0 h SER 32 CO 0.21 0.00 -1.72 2.30 -0.53 0.00 0.00 176.83 177.09 2dl0 n ILE 33 N -2.39 0.00 -0.69 2.23 -5.35 -1.03 -4.99 119.36 107.14 2dl0 n ILE 33 Ca -0.01 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 2dl0 n ILE 33 Cb 0.09 0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.26 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 1.07 2.61 3.28 0.00 -0.26 -5.00 105.19 108.24 2dl0 n GLY 34 Ca -0.02 -0.42 -0.13 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 0.00 2.43 0.00 0.99 4.77 0.51 -4.87 117.00 120.83 2dl0 n LEU 35 Ca 0.00 -4.04 0.07 0.00 -0.03 0.00 0.00 56.01 52.01 2dl0 n LEU 35 Cb 0.13 0.18 0.35 0.00 -2.33 0.00 0.00 43.42 41.75 2dl0 n LEU 35 CO 0.00 1.69 0.70 -0.81 -1.33 0.00 0.00 177.39 177.64 2dl0 n PRO 36 N -0.26 0.16 0.00 3.23 -0.04 -1.11 -2.63 135.00 134.35 2dl0 n PRO 36 Ca 0.18 0.17 0.11 0.00 -0.04 0.00 0.00 63.50 63.92 2dl0 n PRO 36 Cb 0.79 -1.50 0.63 0.00 -0.04 0.00 0.00 33.50 33.38 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 -1.34 0.62 0.00 0.54 0.00 -1.26 -2.23 117.12 113.45 2dl0 n MET 37 Ca 0.06 0.02 0.04 0.00 0.00 0.00 0.00 57.70 57.82 2dl0 n MET 37 Cb 0.13 -1.50 -0.04 0.00 0.00 0.00 0.00 33.22 31.80 2dl0 n MET 37 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2dl0 n TYR 38 N -1.05 0.00 -0.21 3.17 4.01 -1.08 -4.65 117.16 117.35 2dl0 n TYR 38 Ca 0.15 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.84 2dl0 n TYR 38 Cb 0.09 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.07 2dl0 n TYR 38 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2dl0 h ALA 39 N 1.28 -0.29 -0.52 -0.72 0.00 -1.63 0.23 119.26 117.62 2dl0 h ALA 39 Ca 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2dl0 h ALA 39 Cb 0.22 1.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 2dl0 h ALA 39 CO 0.00 -0.51 0.15 0.78 0.00 0.00 0.00 179.25 179.68 2dl0 h GLY 40 N -0.00 0.87 -0.03 0.00 0.00 -1.85 -1.64 103.07 100.42 2dl0 h GLY 40 Ca 0.08 -0.52 0.03 0.00 0.00 0.00 0.00 47.33 46.91 2dl0 h GLY 40 CO -0.48 0.49 -0.53 -0.84 0.00 0.00 0.00 176.54 175.18 2dl0 h THR 41 N 0.71 0.02 0.21 4.70 2.02 -1.44 0.13 112.91 119.25 2dl0 h THR 41 Ca 0.17 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.34 2dl0 h THR 41 Cb 0.29 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 2dl0 h THR 41 CO -0.00 0.00 -0.10 -0.07 0.37 0.00 0.00 175.52 175.72 2dl0 h LEU 42 N -0.63 -0.23 -0.98 2.58 3.38 -0.61 -2.63 115.31 116.17 2dl0 h LEU 42 Ca 0.02 -0.04 0.27 0.00 0.09 0.00 0.00 57.88 58.22 2dl0 h LEU 42 Cb 0.71 0.06 -0.13 0.00 0.09 0.00 0.00 40.66 41.38 2dl0 h LEU 42 CO -0.38 -0.11 0.55 -1.28 0.09 0.00 0.00 178.44 177.30 2dl0 h SER 43 N -0.34 0.55 0.47 -0.43 0.87 -0.99 0.89 113.55 114.58 2dl0 h SER 43 Ca -0.03 0.16 -0.07 0.00 -1.23 0.00 0.00 61.79 60.62 2dl0 h SER 43 Cb 0.26 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2dl0 h SER 43 CO 0.05 -0.00 -0.36 0.74 -0.53 0.00 0.00 176.83 176.73 2dl0 h THR 44 N 0.46 1.11 -0.00 2.23 2.02 -0.41 -2.08 112.91 116.24 2dl0 h THR 44 Ca 0.66 -1.28 0.00 0.00 0.77 0.00 0.00 66.41 66.56 2dl0 h THR 44 Cb 1.35 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.47 2dl0 h THR 44 CO -0.53 0.35 -0.03 0.00 0.37 0.00 0.00 175.52 175.68 2dl0 n ALA 45 N -2.41 2.63 0.00 6.16 0.00 0.30 -4.87 120.51 122.32 2dl0 n ALA 45 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2dl0 n ALA 45 Cb 0.42 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 1.18 2.43 3.53 0.00 0.00 -0.78 -5.02 105.19 106.52 2dl0 n GLY 46 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 2dl0 n GLY 46 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2dl0 n PHE 47 N -0.56 0.89 0.00 1.61 3.72 -0.73 -4.41 117.46 117.98 2dl0 n PHE 47 Ca 0.00 -0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 2dl0 n PHE 47 Cb 0.00 -2.26 0.00 0.00 -0.94 0.00 0.00 39.48 36.28 2dl0 n PHE 47 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2dl0 n SER 48 N 16.82 3.58 -4.59 4.37 2.88 -1.26 -3.57 113.62 131.85 2dl0 n SER 48 Ca 0.45 -0.11 -0.34 0.00 -1.33 0.00 0.00 58.87 57.54 2dl0 n SER 48 Cb 0.41 0.93 -0.11 0.00 -0.75 0.00 0.00 64.21 64.69 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 -1.64 3.78 -1.54 2.46 -4.23 -1.26 -4.70 115.64 108.50 2dl0 s THR 49 Ca 0.00 -0.45 0.19 0.00 -1.18 0.00 0.00 61.69 60.25 2dl0 s THR 49 Cb 0.00 -2.55 0.37 0.00 1.34 0.00 0.00 72.50 71.66 2dl0 s THR 49 CO 0.00 0.60 1.56 0.18 -0.54 0.00 0.00 174.62 176.42 2dl0 n LEU 50 N 2.25 0.00 0.10 4.79 4.77 -1.26 -2.62 117.00 125.03 2dl0 n LEU 50 Ca -0.18 0.23 -0.04 0.00 -0.03 0.00 0.00 56.01 55.99 2dl0 n LEU 50 Cb 0.53 -0.23 0.04 0.00 -2.33 0.00 0.00 43.42 41.43 2dl0 n LEU 50 CO 0.27 -0.09 0.34 -1.28 -1.33 0.00 0.00 177.39 175.30 2dl0 h SER 51 N 0.00 0.00 0.65 -1.43 0.87 -2.01 -3.15 113.55 108.48 2dl0 h SER 51 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2dl0 h SER 51 Cb 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2dl0 h SER 51 CO 0.00 0.79 -0.86 0.00 -0.53 0.00 0.00 176.83 176.23 2dl0 n GLN 52 N -3.59 0.31 0.39 2.24 10.64 -1.08 -4.27 117.38 122.02 2dl0 n GLN 52 Ca -0.01 0.04 -0.18 0.00 -1.83 0.00 0.00 57.00 55.02 2dl0 n GLN 52 Cb 0.76 -1.65 -0.09 0.00 -0.86 0.00 0.00 30.24 28.40 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 0.20 0.00 -0.39 2.07 -1.58 -2.11 116.25 114.44 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 0.75 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 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 -0.34 1.57 -0.04 -1.25 -2.12 135.00 127.77 2dl0 n PRO 54 Ca -0.14 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.40 2dl0 n PRO 54 Cb 0.42 -1.36 0.21 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.86 3.12 -4.59 3.54 7.64 -0.80 -4.24 113.62 117.43 2dl0 n SER 55 Ca 0.09 -3.14 -0.31 0.00 1.01 0.00 0.00 58.87 56.51 2dl0 n SER 55 Cb 0.04 -0.51 0.17 0.00 -1.01 0.00 0.00 64.21 62.90 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 -0.93 1.95 -3.71 -3.43 4.77 -0.90 -5.03 117.00 109.72 2dl0 n LEU 56 Ca 0.20 0.31 -0.13 0.00 -0.03 0.00 0.00 56.01 56.37 2dl0 n LEU 56 Cb 0.80 -1.39 -0.10 0.00 -2.33 0.00 0.00 43.42 40.41 2dl0 n LEU 56 CO 0.10 -2.58 0.14 -0.94 -1.33 0.00 0.00 177.39 172.77 2dl0 s SER 57 N -2.48 -0.50 0.29 -1.43 1.04 -1.26 -5.00 113.70 104.36 2dl0 s SER 57 Ca 0.65 0.94 0.17 0.00 0.48 0.00 0.00 55.95 58.19 2dl0 s SER 57 Cb -0.23 0.94 1.04 0.00 0.10 0.00 0.00 66.02 67.88 2dl0 s SER 57 CO 0.61 -0.17 1.22 1.57 0.98 0.00 0.00 173.24 177.45 2dl0 n HIS 58 N 2.98 0.88 0.02 5.02 -0.00 -1.26 0.99 115.22 123.86 2dl0 n HIS 58 Ca -0.14 0.89 -0.12 0.00 0.46 0.00 0.00 57.72 58.81 2dl0 n HIS 58 Cb 0.57 -1.31 -0.09 0.00 -0.12 0.00 0.00 29.99 29.03 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 1.14 -0.79 3.57 2.02 -1.98 -2.59 112.91 114.28 2dl0 h THR 59 Ca 0.66 -1.24 0.18 0.00 0.77 0.00 0.00 66.41 66.77 2dl0 h THR 59 Cb 1.75 1.89 -0.14 0.00 -1.74 0.00 0.00 68.15 69.92 2dl0 h THR 59 CO -0.58 0.29 -0.07 0.00 0.37 0.00 0.00 175.52 175.52 2dl0 h LEU 61 N 0.05 0.97 -1.67 0.00 3.38 -1.40 -2.62 115.31 114.03 2dl0 h LEU 61 Ca 0.42 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2dl0 h LEU 61 Cb 0.71 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2dl0 h LEU 61 CO -0.74 1.01 -0.01 1.56 0.09 0.00 0.00 178.44 180.34 2dl0 h GLN 62 N 0.91 0.18 -0.24 1.13 1.08 -0.13 -1.53 115.11 116.51 2dl0 h GLN 62 Ca 0.18 -0.02 -0.12 0.00 -1.45 0.00 0.00 58.65 57.23 2dl0 h GLN 62 Cb 0.47 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 2dl0 h GLN 62 CO 0.02 0.22 -0.37 0.93 -0.95 0.00 0.00 178.83 178.68 2dl0 h GLU 63 N 0.18 0.54 0.00 1.46 4.39 -0.41 -2.87 114.58 117.87 2dl0 h GLU 63 Ca 0.04 -0.26 -0.10 0.00 0.34 0.00 0.00 59.36 59.39 2dl0 h GLU 63 Cb 0.15 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2dl0 h GLU 63 CO 0.00 0.83 -0.49 0.00 -1.16 0.00 0.00 179.01 178.19 2dl0 h ALA 64 N 1.15 0.99 0.00 3.43 0.00 -1.18 -3.47 119.26 120.19 2dl0 h ALA 64 Ca 0.05 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2dl0 h ALA 64 Cb 0.85 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2dl0 h ALA 64 CO 0.07 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.35 2dl0 n GLY 65 N 0.24 0.64 3.68 0.00 0.00 -0.95 -4.98 105.19 103.82 2dl0 n GLY 65 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.33 4.35 0.00 -0.61 1.01 -0.65 -4.86 121.20 119.11 2dl0 s ILE 66 Ca 0.00 1.66 0.00 0.00 0.00 0.00 0.00 60.65 62.31 2dl0 s ILE 66 Cb 0.00 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.40 2dl0 s ILE 66 CO 0.00 -0.03 0.00 0.35 0.00 0.00 0.00 174.94 175.26 2dl0 n THR 67 N 4.75 0.00 -1.51 2.92 -2.24 -1.26 -3.58 114.28 113.35 2dl0 n THR 67 Ca 0.11 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.72 2dl0 n THR 67 Cb 0.46 -0.75 -0.15 0.00 -2.10 0.00 0.00 70.33 67.79 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 -1.70 0.23 -0.49 -0.78 0.00 -1.26 -4.68 120.64 111.96 2dl0 n GLU 68 Ca 0.00 -0.40 0.43 0.00 0.00 0.00 0.00 57.16 57.19 2dl0 n GLU 68 Cb 0.39 -2.19 0.69 0.00 0.00 0.00 0.00 31.44 30.32 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 11.65 0.00 -0.15 3.44 5.08 -1.98 0.96 114.58 133.58 2dl0 h GLU 69 Ca 0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2dl0 h GLU 69 Cb 1.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2dl0 h GLU 69 CO 1.33 0.00 -0.00 -0.09 -1.00 0.00 0.00 179.01 179.25 2dl0 h ARG 70 N 0.00 0.26 -0.02 2.33 2.43 -2.00 -1.95 114.38 115.42 2dl0 h ARG 70 Ca 0.74 -0.08 -0.26 0.00 -0.81 0.00 0.00 59.98 59.57 2dl0 h ARG 70 Cb 3.33 -0.02 0.02 0.00 -0.42 0.00 0.00 29.97 32.87 2dl0 h ARG 70 CO -0.01 0.49 -1.00 0.45 -1.51 0.00 0.00 179.97 178.40 2dl0 h HIS 71 N 0.00 1.02 -0.92 2.20 3.86 0.50 -2.95 115.15 118.86 2dl0 h HIS 71 Ca 0.04 -0.54 0.07 0.00 -1.16 0.00 0.00 60.37 58.78 2dl0 h HIS 71 Cb 0.38 -0.12 -0.07 0.00 1.06 0.00 0.00 27.41 28.66 2dl0 h HIS 71 CO 0.03 1.37 0.58 0.82 0.86 0.00 0.00 177.93 181.60 2dl0 h ILE 72 N 0.40 1.05 -0.36 2.45 2.04 -1.07 0.22 117.51 122.24 2dl0 h ILE 72 Ca -0.12 -0.36 -0.11 0.00 1.00 0.00 0.00 64.86 65.28 2dl0 h ILE 72 Cb 1.65 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 2dl0 h ILE 72 CO 0.20 0.19 -0.21 0.03 0.00 0.00 0.00 178.15 178.36 2dl0 h ARG 73 N 1.04 0.77 0.13 2.37 2.47 -1.39 -2.00 114.38 117.77 2dl0 h ARG 73 Ca 0.40 -0.35 -0.01 0.00 -1.26 0.00 0.00 59.98 58.77 2dl0 h ARG 73 Cb 0.20 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 2dl0 h ARG 73 CO -0.18 0.97 -0.06 -0.22 0.56 0.00 0.00 179.97 181.04 2dl0 h LYS 74 N 0.56 -0.16 -0.90 0.04 3.64 -1.21 0.85 116.57 119.38 2dl0 h LYS 74 Ca 0.08 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.51 2dl0 h LYS 74 Cb 0.76 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.56 2dl0 h LYS 74 CO 0.06 -0.02 0.58 -0.07 -2.27 0.00 0.00 179.45 177.73 2dl0 h LEU 75 N -0.27 0.95 -1.05 5.20 3.38 -1.00 0.40 115.31 122.91 2dl0 h LEU 75 Ca -0.02 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 2dl0 h LEU 75 Cb 0.22 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2dl0 h LEU 75 CO 0.03 0.64 -0.40 -0.07 0.09 0.00 0.00 178.44 178.73 2dl0 h LEU 76 N 1.11 0.00 0.02 1.67 3.38 -1.16 0.43 115.31 120.75 2dl0 h LEU 76 Ca 0.37 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 58.09 2dl0 h LEU 76 Cb 0.05 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2dl0 h LEU 76 CO -0.13 0.40 -1.26 -1.28 0.09 0.00 0.00 178.44 176.26 2dl0 h SER 77 N 0.00 0.06 0.46 -0.43 0.87 0.46 -3.19 113.55 111.79 2dl0 h SER 77 Ca -0.00 -0.08 -0.30 0.00 -1.23 0.00 0.00 61.79 60.17 2dl0 h SER 77 Cb 0.84 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.79 2dl0 h SER 77 CO 0.05 1.07 -1.42 0.00 -0.53 0.00 0.00 176.83 176.00 2dl0 h ALA 78 N 0.92 0.09 0.08 6.23 0.00 -0.11 -3.16 119.26 123.31 2dl0 h ALA 78 Ca -0.11 -0.96 -0.00 0.00 0.00 0.00 0.00 54.91 53.83 2dl0 h ALA 78 Cb 1.87 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.82 2dl0 h ALA 78 CO 0.12 0.96 -0.04 0.00 0.00 0.00 0.00 179.25 180.30 2dl0 h ALA 79 N 0.42 -0.11 0.00 0.00 0.00 -1.03 -2.16 119.26 116.39 2dl0 h ALA 79 Ca -0.21 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2dl0 h ALA 79 Cb 2.04 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.87 2dl0 h ALA 79 CO 0.21 -0.53 -0.07 0.00 0.00 0.00 0.00 179.25 178.87 2dl0 h ARG 80 N -0.18 0.00 -0.07 0.00 3.08 -1.69 -0.23 114.38 115.29 2dl0 h ARG 80 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 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 0.07 0.00 1.28 -1.07 0.00 0.00 179.97 180.26 2dl0 n LEU 81 N -3.52 1.34 -4.54 3.04 4.77 -0.87 -4.78 117.00 112.44 2dl0 n LEU 81 Ca -0.02 -0.50 -0.42 0.00 -0.03 0.00 0.00 56.01 55.04 2dl0 n LEU 81 Cb 0.19 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 2dl0 n LEU 81 CO 0.27 0.25 1.02 0.12 -1.33 0.00 0.00 177.39 177.72 2dl0 s PHE 82 N -1.91 2.51 -0.59 -1.77 5.36 -0.10 -4.98 117.98 116.50 2dl0 s PHE 82 Ca 0.36 0.00 -0.21 0.00 -0.96 0.00 0.00 56.93 56.12 2dl0 s PHE 82 Cb 0.19 -4.46 0.07 0.00 -0.34 0.00 0.00 43.02 38.48 2dl0 s PHE 82 CO 0.30 -1.77 0.81 0.21 -1.46 0.00 0.00 175.22 173.32 2dl0 s LYS 83 N 4.99 3.13 0.39 10.12 2.20 -1.26 -4.91 119.74 134.40 2dl0 s LYS 83 Ca 0.34 -0.89 -0.25 0.00 -0.36 0.00 0.00 55.97 54.81 2dl0 s LYS 83 Cb -0.10 -4.18 -0.09 0.00 -1.51 0.00 0.00 37.83 31.95 2dl0 s LYS 83 CO 0.18 -1.56 1.10 -0.51 -0.36 0.00 0.00 175.35 174.20 2dl0 s LEU 84 N 3.34 4.19 0.97 5.43 1.43 -1.26 -5.03 118.68 127.75 2dl0 s LEU 84 Ca 0.19 2.18 -0.12 0.00 -1.03 0.00 0.00 54.13 55.35 2dl0 s LEU 84 Cb -0.19 -4.08 0.17 0.00 0.03 0.00 0.00 46.19 42.12 2dl0 s LEU 84 CO 0.11 -0.55 1.09 -2.16 0.23 0.00 0.00 176.35 175.07 2dl0 s PRO 85 N -2.34 0.67 0.67 1.29 0.04 -1.26 -5.02 135.00 129.05 2dl0 s PRO 85 Ca 0.57 0.61 -0.14 0.00 0.04 0.00 0.00 61.00 62.08 2dl0 s PRO 85 Cb -0.26 -1.76 0.01 0.00 0.04 0.00 0.00 34.50 32.53 2dl0 s PRO 85 CO 0.33 -2.59 1.11 -1.25 0.04 0.00 0.00 177.00 174.63 2dl0 s PRO 86 N -4.95 2.74 0.00 0.56 0.04 -1.26 -5.02 135.00 127.11 2dl0 s PRO 86 Ca 0.65 1.37 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2dl0 s PRO 86 Cb -0.18 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.41 2dl0 s PRO 86 CO 0.57 -1.29 0.00 0.41 0.04 0.00 0.00 177.00 176.73 2dl0 n GLY 87 N -0.60 -1.55 0.00 0.56 0.00 -1.26 -5.01 105.19 97.34 2dl0 n GLY 87 Ca 0.10 0.88 0.07 0.00 0.00 0.00 0.00 46.02 47.06 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 0.49 -2.34 1.61 -0.04 -1.26 -3.60 135.00 129.86 2dl0 n PRO 88 Ca 0.00 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.09 2dl0 n PRO 88 Cb 0.00 -1.43 0.02 0.00 -0.04 0.00 0.00 33.50 32.05 2dl0 n PRO 88 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2dl0 n GLU 89 N -0.93 3.83 -3.22 0.54 0.28 -1.26 -4.81 120.64 115.08 2dl0 n GLU 89 Ca 0.10 -4.18 -0.00 0.00 -0.16 0.00 0.00 57.16 52.92 2dl0 n GLU 89 Cb 0.05 -2.33 -0.02 0.00 1.43 0.00 0.00 31.44 30.57 2dl0 n GLU 89 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2dl0 s ALA 90 N -4.04 -2.19 0.05 -1.84 0.00 -1.24 -5.15 121.76 107.35 2dl0 s ALA 90 Ca 0.47 0.23 -0.11 0.00 0.00 0.00 0.00 51.96 52.55 2dl0 s ALA 90 Cb 0.33 -2.64 -0.06 0.00 0.00 0.00 0.00 23.12 20.75 2dl0 s ALA 90 CO -0.26 -2.15 0.39 -1.64 0.00 0.00 0.00 175.76 172.10 2dl0 s MET 91 N 1.96 3.79 -0.43 0.00 -1.94 -1.26 -5.07 119.30 116.35 2dl0 s MET 91 Ca 0.15 0.22 0.02 0.00 -1.71 0.00 0.00 55.69 54.38 2dl0 s MET 91 Cb -0.06 -3.05 0.12 0.00 2.01 0.00 0.00 34.83 33.85 2dl0 s MET 91 CO -0.10 0.60 0.20 -1.12 -0.01 0.00 0.00 175.02 174.59 2dl0 s SER 92 N -1.58 4.05 0.06 3.03 0.01 -1.26 -5.11 113.70 112.90 2dl0 s SER 92 Ca 0.30 -2.52 0.07 0.00 1.31 0.00 0.00 55.95 55.12 2dl0 s SER 92 Cb -0.14 -1.26 -0.04 0.00 0.21 0.00 0.00 66.02 64.79 2dl0 s SER 92 CO 0.17 -0.30 -0.15 -0.83 0.41 0.00 0.00 173.24 172.54 2dl0 s GLY 93 N 0.45 1.66 0.93 3.44 0.00 -1.26 -5.13 107.32 107.41 2dl0 s GLY 93 Ca 0.15 -1.21 -0.12 0.00 0.00 0.00 0.00 44.72 43.55 2dl0 s GLY 93 CO -0.05 -1.13 1.09 2.56 0.00 0.00 0.00 173.10 175.58 2dl0 s PRO 94 N -1.69 0.96 -0.18 2.90 0.04 -1.26 -5.05 135.00 130.71 2dl0 s PRO 94 Ca 0.17 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.92 2dl0 s PRO 94 Cb -0.11 -1.78 0.02 0.00 0.04 0.00 0.00 34.50 32.67 2dl0 s PRO 94 CO 0.08 -2.42 -0.18 0.45 0.04 0.00 0.00 177.00 174.97 2dl0 s SER 95 N -3.44 3.27 -0.97 6.66 0.15 -1.26 -4.68 113.70 113.44 2dl0 s SER 95 Ca 0.64 -0.62 -0.03 0.00 0.70 0.00 0.00 55.95 56.65 2dl0 s SER 95 Cb -0.18 -1.51 0.02 0.00 -1.71 0.00 0.00 66.02 62.64 2dl0 s SER 95 CO 0.57 0.00 0.14 -1.20 1.20 0.00 0.00 173.24 173.95 2dl0 n SER 96 N 4.62 -3.42 0.00 5.45 7.64 -1.26 -5.38 113.62 121.27 2dl0 n SER 96 Ca -0.21 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.74 2dl0 n SER 96 Cb 0.50 -2.90 0.00 0.00 -1.01 0.00 0.00 64.21 60.80 2dl0 n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64