#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 4.67 -0.02 1.61 0.01 -1.26 -5.14 113.70 113.57 2dl0 s SER 2 Ca 0.00 -0.92 -0.30 0.00 1.31 0.00 0.00 55.95 56.03 2dl0 s SER 2 Cb 0.00 -0.55 0.12 0.00 0.21 0.00 0.00 66.02 65.80 2dl0 s SER 2 CO 0.00 -0.54 1.30 -0.94 0.41 0.00 0.00 173.24 173.47 2dl0 s SER 3 N -3.97 -0.05 0.00 2.44 1.04 -1.26 -5.19 113.70 106.71 2dl0 s SER 3 Ca 0.43 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.73 2dl0 s SER 3 Cb 0.01 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.28 2dl0 s SER 3 CO 0.24 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.79 2dl0 n GLY 4 N -0.50 4.50 3.46 7.32 0.00 -1.26 -5.15 105.19 113.56 2dl0 n GLY 4 Ca -0.09 -2.11 -0.30 0.00 0.00 0.00 0.00 46.02 43.53 2dl0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dl0 s SER 5 N -0.37 3.77 0.00 1.61 0.01 -1.26 -5.12 113.70 112.34 2dl0 s SER 5 Ca 0.00 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.77 2dl0 s SER 5 Cb 0.00 -0.55 0.00 0.00 0.21 0.00 0.00 66.02 65.68 2dl0 s SER 5 CO 0.00 0.23 0.00 -1.20 0.41 0.00 0.00 173.24 172.68 2dl0 n SER 6 N 1.29 0.00 0.00 2.44 7.64 -1.26 -5.18 113.62 118.55 2dl0 n SER 6 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 2dl0 n SER 6 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2dl0 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dl0 n GLY 7 N -0.29 3.80 0.00 0.23 0.00 -1.26 -5.19 105.19 102.48 2dl0 n GLY 7 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 3.86 0.00 -0.02 0.00 -1.26 -5.15 105.19 102.63 2dl0 n GLY 8 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.13 0.04 2.04 -0.02 0.00 -1.26 -5.03 105.19 99.82 2dl0 n GLY 9 Ca 0.00 0.25 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 2dl0 n GLY 9 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dl0 n LEU 10 N 0.00 6.80 -4.88 0.99 4.32 -1.26 -4.93 117.00 118.04 2dl0 n LEU 10 Ca 0.00 -3.60 -0.35 0.00 -0.02 0.00 0.00 56.01 52.04 2dl0 n LEU 10 Cb 0.00 -1.05 -0.06 0.00 -1.62 0.00 0.00 43.42 40.70 2dl0 n LEU 10 CO 0.00 1.32 -0.17 0.28 -1.22 0.00 0.00 177.39 177.59 2dl0 s THR 11 N -2.95 5.41 -0.01 -5.08 -1.32 -1.26 -5.10 115.64 105.32 2dl0 s THR 11 Ca 0.41 -0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.89 2dl0 s THR 11 Cb 0.32 -3.44 0.02 0.00 -1.51 0.00 0.00 72.50 67.88 2dl0 s THR 11 CO -0.02 0.47 0.02 -0.70 -2.21 0.00 0.00 174.62 172.18 2dl0 s GLU 12 N -1.48 -0.01 -0.27 7.08 2.56 -1.26 -5.13 118.70 120.19 2dl0 s GLU 12 Ca 0.21 0.10 -0.08 0.00 0.00 0.00 0.00 54.97 55.20 2dl0 s GLU 12 Cb -0.12 -0.15 -0.02 0.00 2.00 0.00 0.00 34.13 35.83 2dl0 s GLU 12 CO 0.11 -0.09 0.10 0.96 -0.56 0.00 0.00 175.26 175.78 2dl0 s ILE 13 N 0.59 4.42 -0.23 -3.70 -5.25 -1.26 -4.89 121.20 110.89 2dl0 s ILE 13 Ca -0.05 -0.24 0.07 0.00 -0.99 0.00 0.00 60.65 59.43 2dl0 s ILE 13 Cb -0.07 -3.13 0.22 0.00 2.95 0.00 0.00 42.46 42.43 2dl0 s ILE 13 CO -0.02 0.25 1.10 0.00 -1.79 0.00 0.00 174.94 174.49 2dl0 n ARG 15 N -0.77 -5.30 -3.96 0.00 5.12 -1.26 -4.99 116.66 105.49 2dl0 n ARG 15 Ca -0.11 3.79 -0.34 0.00 -1.93 0.00 0.00 57.85 59.26 2dl0 n ARG 15 Cb 0.72 -4.49 -0.06 0.00 -1.16 0.00 0.00 32.46 27.47 2dl0 n ARG 15 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2dl0 s LYS 16 N -0.56 3.34 1.07 5.56 -0.14 -1.26 -5.11 119.74 122.65 2dl0 s LYS 16 Ca 0.00 -0.31 -0.15 0.00 -1.36 0.00 0.00 55.97 54.16 2dl0 s LYS 16 Cb 0.00 -3.06 0.23 0.00 -1.68 0.00 0.00 37.83 33.31 2dl0 s LYS 16 CO 0.00 0.70 1.10 -1.25 -0.76 0.00 0.00 175.35 175.14 2dl0 s PRO 17 N -1.60 -0.17 -0.44 -1.68 0.04 -1.26 -5.06 135.00 124.82 2dl0 s PRO 17 Ca 0.22 0.31 0.06 0.00 0.04 0.00 0.00 61.00 61.63 2dl0 s PRO 17 Cb -0.12 -1.69 0.18 0.00 0.04 0.00 0.00 34.50 32.91 2dl0 s PRO 17 CO 0.13 -3.09 0.54 0.54 0.04 0.00 0.00 177.00 175.16 2dl0 s VAL 18 N -2.98 -0.52 0.00 -0.36 0.11 -1.26 -4.97 120.40 110.42 2dl0 s VAL 18 Ca 0.67 -1.25 0.00 0.00 -2.93 0.00 0.00 61.98 58.48 2dl0 s VAL 18 Cb -0.16 -0.45 0.00 0.00 -1.53 0.00 0.00 36.38 34.24 2dl0 s VAL 18 CO 0.57 -0.43 0.00 -0.24 -3.33 0.00 0.00 175.10 171.67 2dl0 n SER 19 N 3.44 0.00 -4.77 3.54 2.88 -1.26 -5.15 113.62 112.30 2dl0 n SER 19 Ca 0.18 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.41 2dl0 n SER 19 Cb 0.52 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.06 2dl0 n SER 19 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2dl0 s PRO 20 N 0.00 2.30 -0.67 -1.46 0.04 -1.26 -3.93 135.00 130.02 2dl0 s PRO 20 Ca 0.00 1.19 -0.00 0.00 0.04 0.00 0.00 61.00 62.22 2dl0 s PRO 20 Cb 0.00 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2dl0 s PRO 20 CO 0.00 -1.61 0.06 0.41 0.04 0.00 0.00 177.00 175.89 2dl0 n GLY 21 N -1.14 0.08 3.77 0.56 0.00 -1.26 -4.98 105.19 102.21 2dl0 n GLY 21 Ca 0.09 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.25 2.59 -0.07 0.00 1.01 -1.26 -4.92 121.20 117.31 2dl0 s ILE 23 Ca 0.60 0.50 -0.01 0.00 0.00 0.00 0.00 60.65 61.73 2dl0 s ILE 23 Cb -0.40 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 2dl0 s ILE 23 CO 0.52 0.08 -0.07 -0.24 0.00 0.00 0.00 174.94 175.22 2dl0 n SER 24 N 2.37 2.02 -3.03 3.58 2.88 -1.26 -5.03 113.62 115.16 2dl0 n SER 24 Ca 0.07 0.02 -0.17 0.00 -1.33 0.00 0.00 58.87 57.46 2dl0 n SER 24 Cb 0.40 -0.15 -0.06 0.00 -0.75 0.00 0.00 64.21 63.65 2dl0 n SER 24 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dl0 n SER 25 N -2.99 0.51 -0.14 -3.46 7.64 -1.26 -4.88 113.62 109.04 2dl0 n SER 25 Ca -0.12 -2.62 -0.04 0.00 1.01 0.00 0.00 58.87 57.10 2dl0 n SER 25 Cb 0.61 0.95 0.04 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 1.61 0.62 0.12 0.44 2.07 -1.88 -2.26 116.25 116.97 2dl0 h VAL 26 Ca -0.21 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.30 2dl0 h VAL 26 Cb 0.90 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 2dl0 h VAL 26 CO 0.33 0.01 -0.53 0.77 0.02 0.00 0.00 177.57 178.18 2dl0 h SER 27 N 0.07 -1.58 -0.84 0.57 4.64 -1.92 0.46 113.55 114.95 2dl0 h SER 27 Ca 0.22 0.17 0.24 0.00 -0.47 0.00 0.00 61.79 61.95 2dl0 h SER 27 Cb 0.33 0.59 -0.03 0.00 -0.31 0.00 0.00 62.40 62.97 2dl0 h SER 27 CO -0.40 -0.56 0.69 0.44 -0.87 0.00 0.00 176.83 176.14 2dl0 h ASP 28 N -0.75 0.00 0.33 4.97 5.19 -1.88 0.30 116.42 124.58 2dl0 h ASP 28 Ca -0.00 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.08 2dl0 h ASP 28 Cb 0.76 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.28 2dl0 h ASP 28 CO -0.29 0.00 -1.57 -0.25 -3.12 0.00 0.00 179.24 174.01 2dl0 h TRP 29 N 0.00 0.70 -0.04 4.55 7.01 -0.30 -2.95 115.95 124.92 2dl0 h TRP 29 Ca 0.40 -0.51 -0.08 0.00 2.11 0.00 0.00 58.89 60.81 2dl0 h TRP 29 Cb 1.78 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 28.80 2dl0 h TRP 29 CO 0.00 1.53 -0.34 -0.07 -2.79 0.00 0.00 178.44 176.76 2dl0 h LEU 30 N 0.11 0.08 0.05 0.65 3.38 0.33 -2.97 115.31 116.94 2dl0 h LEU 30 Ca -0.27 -0.03 -0.26 0.00 0.09 0.00 0.00 57.88 57.41 2dl0 h LEU 30 Cb 2.09 -0.02 0.02 0.00 0.09 0.00 0.00 40.66 42.84 2dl0 h LEU 30 CO 0.20 0.43 -1.05 0.40 0.09 0.00 0.00 178.44 178.51 2dl0 h ILE 31 N 0.07 1.31 0.00 1.22 2.04 -1.07 0.29 117.51 121.37 2dl0 h ILE 31 Ca 0.01 -2.31 -0.00 0.00 1.00 0.00 0.00 64.86 63.56 2dl0 h ILE 31 Cb 0.65 2.57 -0.00 0.00 -0.74 0.00 0.00 36.82 39.29 2dl0 h ILE 31 CO 0.05 0.70 -0.00 -1.28 0.00 0.00 0.00 178.15 177.62 2dl0 h SER 32 N 0.24 0.00 0.03 1.72 0.87 -1.37 0.87 113.55 115.91 2dl0 h SER 32 Ca -0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 2dl0 h SER 32 Cb 1.72 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.68 2dl0 h SER 32 CO 0.20 0.00 -0.88 2.30 -0.53 0.00 0.00 176.83 177.93 2dl0 n ILE 33 N -3.18 0.00 -1.55 2.23 -5.35 -1.14 -4.97 119.36 105.41 2dl0 n ILE 33 Ca -0.03 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 2dl0 n ILE 33 Cb 0.08 0.98 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 1.49 0.52 2.53 3.28 0.00 0.30 -4.98 105.19 108.32 2dl0 n GLY 34 Ca 0.05 -0.85 -0.15 0.00 0.00 0.00 0.00 46.02 45.07 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 3.05 0.00 0.99 4.77 1.00 -4.85 117.00 121.96 2dl0 n LEU 35 Ca 0.00 -4.21 0.07 0.00 -0.03 0.00 0.00 56.01 51.84 2dl0 n LEU 35 Cb 0.33 0.04 0.36 0.00 -2.33 0.00 0.00 43.42 41.82 2dl0 n LEU 35 CO 0.00 1.76 0.71 -0.81 -1.33 0.00 0.00 177.39 177.71 2dl0 n PRO 36 N -0.40 0.17 0.00 3.23 -0.04 -1.10 -2.67 135.00 134.19 2dl0 n PRO 36 Ca 0.24 0.16 0.09 0.00 -0.04 0.00 0.00 63.50 63.95 2dl0 n PRO 36 Cb 0.79 -1.50 0.52 0.00 -0.04 0.00 0.00 33.50 33.27 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 -1.32 0.74 0.00 0.54 0.00 -1.26 -2.29 117.12 113.52 2dl0 n MET 37 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 57.70 57.78 2dl0 n MET 37 Cb 0.13 -1.37 -0.01 0.00 0.00 0.00 0.00 33.22 31.96 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 -0.87 0.00 -0.12 3.17 4.01 -1.09 -4.63 117.16 117.63 2dl0 n TYR 38 Ca 0.13 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.77 2dl0 n TYR 38 Cb 0.06 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.02 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 0.57 -0.64 0.00 -0.72 0.00 -1.64 0.21 119.26 117.05 2dl0 h ALA 39 Ca 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2dl0 h ALA 39 Cb 0.10 1.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2dl0 h ALA 39 CO 0.00 -0.84 -0.43 0.78 0.00 0.00 0.00 179.25 178.76 2dl0 h GLY 40 N -0.27 0.00 0.94 0.00 0.00 -1.86 -1.94 103.07 99.94 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 -0.47 0.00 -0.38 -0.84 0.00 0.00 0.00 176.54 174.86 2dl0 h THR 41 N 0.00 0.18 -0.55 4.70 2.02 -1.43 -1.91 112.91 115.92 2dl0 h THR 41 Ca -0.00 -0.10 -0.10 0.00 0.77 0.00 0.00 66.41 66.97 2dl0 h THR 41 Cb 0.85 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.44 2dl0 h THR 41 CO 0.06 0.01 -0.06 -0.07 0.37 0.00 0.00 175.52 175.82 2dl0 h LEU 42 N -1.13 1.01 -1.29 2.58 3.38 -0.69 -2.86 115.31 116.31 2dl0 h LEU 42 Ca -0.11 -0.33 0.15 0.00 0.09 0.00 0.00 57.88 57.68 2dl0 h LEU 42 Cb 0.82 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 41.22 2dl0 h LEU 42 CO 0.18 1.10 0.58 -1.28 0.09 0.00 0.00 178.44 179.11 2dl0 h SER 43 N 0.90 0.64 0.07 -0.43 0.87 -1.32 0.11 113.55 114.38 2dl0 h SER 43 Ca 0.15 0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.64 2dl0 h SER 43 Cb 0.62 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 2dl0 h SER 43 CO 0.04 0.31 -0.37 0.74 -0.53 0.00 0.00 176.83 177.01 2dl0 h THR 44 N 0.66 1.30 0.00 2.23 2.02 -1.11 -2.56 112.91 115.45 2dl0 h THR 44 Ca 0.46 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 66.16 2dl0 h THR 44 Cb 0.79 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 2dl0 h THR 44 CO -0.21 0.46 0.00 0.00 0.37 0.00 0.00 175.52 176.13 2dl0 h ALA 45 N 1.26 1.00 0.00 6.16 0.00 -0.80 -3.46 119.26 123.42 2dl0 h ALA 45 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2dl0 h ALA 45 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2dl0 h ALA 45 CO 0.07 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.73 2dl0 n GLY 46 N 0.65 1.45 3.56 0.00 0.00 -0.69 -5.05 105.19 105.10 2dl0 n GLY 46 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.42 1.65 -0.00 1.61 0.40 -0.20 -4.47 117.98 115.55 2dl0 s PHE 47 Ca 0.00 1.00 0.01 0.00 -0.60 0.00 0.00 56.93 57.33 2dl0 s PHE 47 Cb 0.00 -3.86 -0.01 0.00 0.51 0.00 0.00 43.02 39.66 2dl0 s PHE 47 CO 0.00 -1.54 0.01 0.45 0.70 0.00 0.00 175.22 174.84 2dl0 n SER 48 N 15.41 4.86 -4.84 1.36 2.88 -1.26 -3.24 113.62 128.79 2dl0 n SER 48 Ca 0.42 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.60 2dl0 n SER 48 Cb 0.46 0.75 -0.07 0.00 -0.75 0.00 0.00 64.21 64.60 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 -2.03 5.31 -1.07 2.46 -4.23 -1.26 -4.43 115.64 110.40 2dl0 s THR 49 Ca -0.00 0.14 0.05 0.00 -1.18 0.00 0.00 61.69 60.69 2dl0 s THR 49 Cb 0.00 -3.31 0.05 0.00 1.34 0.00 0.00 72.50 70.57 2dl0 s THR 49 CO 0.02 0.60 1.13 0.18 -0.54 0.00 0.00 174.62 176.01 2dl0 n LEU 50 N 2.14 0.00 0.18 4.79 4.77 -1.26 -1.57 117.00 126.05 2dl0 n LEU 50 Ca -0.19 0.46 0.04 0.00 -0.03 0.00 0.00 56.01 56.29 2dl0 n LEU 50 Cb 0.55 -0.46 0.31 0.00 -2.33 0.00 0.00 43.42 41.48 2dl0 n LEU 50 CO 0.31 -0.39 0.64 -1.28 -1.33 0.00 0.00 177.39 175.35 2dl0 h SER 51 N 0.00 0.00 1.28 -1.43 0.87 -2.00 -2.81 113.55 109.45 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 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 2dl0 h SER 51 CO 0.00 0.43 -0.48 1.56 -0.53 0.00 0.00 176.83 177.81 2dl0 h GLN 52 N 0.00 0.00 0.69 2.24 4.20 -1.69 -3.35 115.11 117.20 2dl0 h GLN 52 Ca -0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 2dl0 h GLN 52 Cb 0.92 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.70 2dl0 h GLN 52 CO 0.06 0.00 -0.40 0.28 -0.67 0.00 0.00 178.83 178.09 2dl0 h VAL 53 N 0.00 0.18 0.00 -0.54 2.07 -1.58 -2.11 116.25 114.26 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 0.88 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 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 -5.55 0.39 -0.48 1.57 -0.04 -1.25 -2.08 135.00 127.55 2dl0 n PRO 54 Ca -0.14 0.05 0.08 0.00 -0.04 0.00 0.00 63.50 63.45 2dl0 n PRO 54 Cb 0.43 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.66 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 -1.10 4.07 -4.36 3.54 7.64 -0.81 -4.77 113.62 117.83 2dl0 n SER 55 Ca 0.10 -2.81 -0.29 0.00 1.01 0.00 0.00 58.87 56.88 2dl0 n SER 55 Cb 0.08 -0.52 0.23 0.00 -1.01 0.00 0.00 64.21 62.99 2dl0 n SER 55 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2dl0 s LEU 56 N -2.47 0.79 -0.26 -3.43 1.43 -0.89 -5.00 118.68 108.86 2dl0 s LEU 56 Ca 0.42 1.19 -0.27 0.00 -1.03 0.00 0.00 54.13 54.44 2dl0 s LEU 56 Cb 0.32 -3.10 0.16 0.00 0.03 0.00 0.00 46.19 43.60 2dl0 s LEU 56 CO 0.12 -4.00 1.23 -0.94 0.23 0.00 0.00 176.35 172.99 2dl0 s SER 57 N -3.09 -0.22 0.28 2.29 1.04 -1.26 -4.94 113.70 107.80 2dl0 s SER 57 Ca 0.68 0.36 0.14 0.00 0.48 0.00 0.00 55.95 57.61 2dl0 s SER 57 Cb -0.20 0.34 0.99 0.00 0.10 0.00 0.00 66.02 67.26 2dl0 s SER 57 CO 0.60 -0.12 1.22 1.57 0.98 0.00 0.00 173.24 177.49 2dl0 n HIS 58 N 1.39 0.85 0.01 5.02 -0.00 -1.26 0.21 115.22 121.45 2dl0 n HIS 58 Ca -0.09 0.91 -0.18 0.00 0.46 0.00 0.00 57.72 58.82 2dl0 n HIS 58 Cb 0.57 -1.30 -0.10 0.00 -0.12 0.00 0.00 29.99 29.04 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 1.36 0.04 3.57 2.02 -1.98 -2.53 112.91 115.38 2dl0 h THR 59 Ca 0.63 -2.09 0.03 0.00 0.77 0.00 0.00 66.41 65.75 2dl0 h THR 59 Cb 1.64 2.42 -0.05 0.00 -1.74 0.00 0.00 68.15 70.43 2dl0 h THR 59 CO -0.61 0.63 -0.30 0.00 0.37 0.00 0.00 175.52 175.61 2dl0 h LEU 61 N -0.47 0.37 -1.27 0.00 3.38 -1.34 -2.57 115.31 113.42 2dl0 h LEU 61 Ca 0.05 -0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.02 2dl0 h LEU 61 Cb 0.54 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.13 2dl0 h LEU 61 CO -0.23 0.37 0.56 1.56 0.09 0.00 0.00 178.44 180.79 2dl0 h GLN 62 N 0.34 0.77 -0.50 1.13 1.08 -1.08 -0.18 115.11 116.67 2dl0 h GLN 62 Ca 0.10 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 2dl0 h GLN 62 Cb 0.09 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.32 2dl0 h GLN 62 CO -0.01 0.51 0.32 0.93 -0.95 0.00 0.00 178.83 179.63 2dl0 h GLU 63 N 0.80 0.67 -0.01 1.46 4.39 -0.30 -1.89 114.58 119.69 2dl0 h GLU 63 Ca 0.40 -0.04 -0.18 0.00 0.34 0.00 0.00 59.36 59.88 2dl0 h GLU 63 Cb 0.48 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2dl0 h GLU 63 CO -0.17 0.45 -0.81 0.00 -1.16 0.00 0.00 179.01 177.32 2dl0 h ALA 64 N 1.67 0.62 0.00 3.43 0.00 -0.94 -3.47 119.26 120.56 2dl0 h ALA 64 Ca 0.18 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2dl0 h ALA 64 Cb -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2dl0 h ALA 64 CO -0.04 0.89 0.00 0.41 0.00 0.00 0.00 179.25 180.52 2dl0 n GLY 65 N 0.73 0.86 3.66 0.00 0.00 -0.71 -4.99 105.19 104.73 2dl0 n GLY 65 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.49 3.65 -0.01 -0.61 1.01 -0.97 -4.83 121.20 118.95 2dl0 s ILE 66 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.43 2dl0 s ILE 66 Cb 0.00 -3.52 -0.01 0.00 0.01 0.00 0.00 42.46 38.94 2dl0 s ILE 66 CO 0.00 -0.09 -0.00 0.35 0.00 0.00 0.00 174.94 175.20 2dl0 n THR 67 N 5.59 0.05 -1.51 2.92 -2.24 -1.26 -3.42 114.28 114.40 2dl0 n THR 67 Ca 0.17 -0.03 -0.39 0.00 -2.27 0.00 0.00 64.05 61.54 2dl0 n THR 67 Cb 0.43 -0.80 -0.13 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 -2.23 0.23 0.32 -0.78 0.00 -1.26 -4.70 120.64 112.22 2dl0 n GLU 68 Ca -0.01 -0.01 0.14 0.00 0.00 0.00 0.00 57.16 57.27 2dl0 n GLU 68 Cb 0.52 -1.92 0.75 0.00 0.00 0.00 0.00 31.44 30.80 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 13.58 0.00 -0.02 3.44 5.08 -1.98 0.20 114.58 134.86 2dl0 h GLU 69 Ca -0.08 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.07 2dl0 h GLU 69 Cb 1.29 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.55 2dl0 h GLU 69 CO 1.35 0.00 -0.81 0.00 -1.00 0.00 0.00 179.01 178.55 2dl0 h ARG 70 N 0.00 0.59 0.24 2.33 2.47 -2.01 -3.02 114.38 114.98 2dl0 h ARG 70 Ca 0.00 -0.60 -0.32 0.00 -1.26 0.00 0.00 59.98 57.80 2dl0 h ARG 70 Cb 0.71 0.16 0.04 0.00 -1.65 0.00 0.00 29.97 29.23 2dl0 h ARG 70 CO 0.00 1.21 -1.42 0.45 0.56 0.00 0.00 179.97 180.78 2dl0 h HIS 71 N 0.20 0.93 -0.64 3.04 3.86 -1.08 -3.10 115.15 118.36 2dl0 h HIS 71 Ca -0.09 -0.68 0.10 0.00 -1.16 0.00 0.00 60.37 58.54 2dl0 h HIS 71 Cb 1.48 -0.04 -0.07 0.00 1.06 0.00 0.00 27.41 29.84 2dl0 h HIS 71 CO 0.12 1.54 0.25 0.82 0.86 0.00 0.00 177.93 181.52 2dl0 h ILE 72 N 0.08 0.77 -0.49 2.45 2.04 -1.08 0.11 117.51 121.39 2dl0 h ILE 72 Ca -0.25 -0.15 -0.09 0.00 1.00 0.00 0.00 64.86 65.37 2dl0 h ILE 72 Cb 2.11 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 38.46 2dl0 h ILE 72 CO 0.26 0.08 -0.06 0.03 0.00 0.00 0.00 178.15 178.46 2dl0 h ARG 73 N 0.44 0.90 -0.60 2.37 2.47 -1.64 0.03 114.38 118.35 2dl0 h ARG 73 Ca 0.33 -0.32 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2dl0 h ARG 73 Cb 0.41 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.63 2dl0 h ARG 73 CO -0.31 0.97 0.33 -0.22 0.56 0.00 0.00 179.97 181.29 2dl0 h LYS 74 N 0.76 0.85 -0.18 0.04 3.64 -1.23 0.15 116.57 120.60 2dl0 h LYS 74 Ca 0.13 -0.10 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 2dl0 h LYS 74 Cb 0.60 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2dl0 h LYS 74 CO 0.04 0.65 -0.24 -0.07 -2.27 0.00 0.00 179.45 177.56 2dl0 h LEU 75 N 0.82 0.52 -1.15 5.20 3.38 -0.72 -0.18 115.31 123.18 2dl0 h LEU 75 Ca 0.21 -0.51 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 2dl0 h LEU 75 Cb 0.05 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2dl0 h LEU 75 CO -0.03 0.93 0.14 -0.07 0.09 0.00 0.00 178.44 179.50 2dl0 h LEU 76 N 0.13 0.68 -0.01 1.67 3.38 -0.84 -0.06 115.31 120.26 2dl0 h LEU 76 Ca 0.02 -0.10 -0.26 0.00 0.09 0.00 0.00 57.88 57.63 2dl0 h LEU 76 Cb 0.81 -0.18 0.02 0.00 0.09 0.00 0.00 40.66 41.40 2dl0 h LEU 76 CO 0.06 0.66 -1.00 -1.28 0.09 0.00 0.00 178.44 176.97 2dl0 h SER 77 N 0.72 0.90 0.08 -0.43 0.87 -0.66 -3.01 113.55 112.04 2dl0 h SER 77 Ca 0.17 -0.73 -0.09 0.00 -1.23 0.00 0.00 61.79 59.91 2dl0 h SER 77 Cb 0.23 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 2dl0 h SER 77 CO -0.01 1.51 -0.28 0.00 -0.53 0.00 0.00 176.83 177.53 2dl0 h ALA 78 N 0.41 1.22 -0.38 6.23 0.00 -0.77 -2.98 119.26 122.98 2dl0 h ALA 78 Ca -0.12 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 2dl0 h ALA 78 Cb 1.65 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 2dl0 h ALA 78 CO 0.20 0.51 -0.05 0.00 0.00 0.00 0.00 179.25 179.91 2dl0 h ALA 79 N 1.43 0.52 0.00 0.00 0.00 -1.03 -2.66 119.26 117.53 2dl0 h ALA 79 Ca 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2dl0 h ALA 79 Cb 0.64 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2dl0 h ALA 79 CO 0.05 0.35 -0.03 0.00 0.00 0.00 0.00 179.25 179.61 2dl0 h ARG 80 N 0.52 0.00 -0.53 0.00 3.08 -1.38 0.46 114.38 116.54 2dl0 h ARG 80 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2dl0 h ARG 80 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 2dl0 h ARG 80 CO 0.03 0.03 0.00 1.28 -1.07 0.00 0.00 179.97 180.24 2dl0 n LEU 81 N -3.56 2.84 -4.48 3.04 4.77 -1.01 -4.82 117.00 113.78 2dl0 n LEU 81 Ca -0.03 -1.43 -0.43 0.00 -0.03 0.00 0.00 56.01 54.10 2dl0 n LEU 81 Cb 0.13 -0.37 -0.06 0.00 -2.33 0.00 0.00 43.42 40.79 2dl0 n LEU 81 CO 0.26 0.63 0.49 0.12 -1.33 0.00 0.00 177.39 177.56 2dl0 s PHE 82 N -1.47 2.96 -0.97 -1.77 5.36 0.15 -4.99 117.98 117.25 2dl0 s PHE 82 Ca 0.33 -0.27 -0.12 0.00 -0.96 0.00 0.00 56.93 55.90 2dl0 s PHE 82 Cb 0.19 -3.71 0.23 0.00 -0.34 0.00 0.00 43.02 39.39 2dl0 s PHE 82 CO 0.20 -1.12 0.98 0.21 -1.46 0.00 0.00 175.22 174.03 2dl0 s LYS 83 N 3.14 3.87 0.32 10.12 2.20 -1.26 -4.93 119.74 133.20 2dl0 s LYS 83 Ca 0.22 -2.72 -0.23 0.00 -0.36 0.00 0.00 55.97 52.88 2dl0 s LYS 83 Cb -0.16 -4.56 -0.10 0.00 -1.51 0.00 0.00 37.83 31.50 2dl0 s LYS 83 CO 0.16 -1.34 0.88 -0.48 -0.36 0.00 0.00 175.35 174.21 2dl0 s LEU 84 N -0.11 4.26 0.51 5.43 0.05 -1.26 -5.04 118.68 122.52 2dl0 s LEU 84 Ca 0.26 1.68 -0.21 0.00 0.05 0.00 0.00 54.13 55.91 2dl0 s LEU 84 Cb -0.09 -4.01 -0.06 0.00 -2.05 0.00 0.00 46.19 39.98 2dl0 s LEU 84 CO -0.08 -0.10 1.14 -2.16 -0.55 0.00 0.00 176.35 174.60 2dl0 s PRO 85 N -2.27 3.51 0.10 1.48 0.04 -1.26 -4.98 135.00 131.62 2dl0 s PRO 85 Ca 0.51 1.67 -0.31 0.00 0.04 0.00 0.00 61.00 62.91 2dl0 s PRO 85 Cb -0.16 -2.16 -0.07 0.00 0.04 0.00 0.00 34.50 32.15 2dl0 s PRO 85 CO 0.21 -0.73 1.37 -1.25 0.04 0.00 0.00 177.00 176.64 2dl0 s PRO 86 N -3.06 4.33 -0.15 0.56 0.04 -1.26 -4.32 135.00 131.14 2dl0 s PRO 86 Ca 0.69 2.04 -0.03 0.00 0.04 0.00 0.00 61.00 63.74 2dl0 s PRO 86 Cb -0.26 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 30.99 2dl0 s PRO 86 CO 0.30 -0.44 0.12 0.41 0.04 0.00 0.00 177.00 177.43 2dl0 n GLY 87 N 3.49 -2.22 0.04 0.56 0.00 -1.26 -4.90 105.19 100.89 2dl0 n GLY 87 Ca 0.11 0.23 0.08 0.00 0.00 0.00 0.00 46.02 46.45 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 -0.06 0.06 0.00 1.61 -0.04 -1.26 -4.55 135.00 130.75 2dl0 n PRO 88 Ca 0.02 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 2dl0 n PRO 88 Cb 0.09 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 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 -1.71 0.00 -1.05 0.54 0.00 -1.26 -5.15 120.64 112.01 2dl0 n GLU 89 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.19 2dl0 n GLU 89 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.62 2dl0 n GLU 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2dl0 n ALA 90 N -0.05 -2.30 -1.40 -1.84 0.00 -1.26 -4.99 120.51 108.67 2dl0 n ALA 90 Ca 0.00 0.27 -0.29 0.00 0.00 0.00 0.00 53.44 53.43 2dl0 n ALA 90 Cb 0.00 -1.05 0.15 0.00 0.00 0.00 0.00 19.45 18.55 2dl0 n ALA 90 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2dl0 s MET 91 N -3.31 0.80 0.46 0.00 -1.94 -1.26 -5.06 119.30 108.99 2dl0 s MET 91 Ca 0.00 0.34 -0.00 0.00 -1.71 0.00 0.00 55.69 54.32 2dl0 s MET 91 Cb 0.00 -1.80 -0.00 0.00 2.01 0.00 0.00 34.83 35.04 2dl0 s MET 91 CO 0.00 -2.44 0.69 -1.54 -0.01 0.00 0.00 175.02 171.72 2dl0 s SER 92 N -3.84 5.80 0.05 3.03 1.04 -1.26 -5.04 113.70 113.48 2dl0 s SER 92 Ca 0.65 0.30 -0.23 0.00 0.48 0.00 0.00 55.95 57.15 2dl0 s SER 92 Cb -0.16 -1.52 -0.12 0.00 0.10 0.00 0.00 66.02 64.33 2dl0 s SER 92 CO 0.55 -0.74 1.36 1.23 0.98 0.00 0.00 173.24 176.61 2dl0 h GLY 93 N 0.35 -1.02 -4.17 7.32 0.00 -2.05 -3.42 103.07 100.08 2dl0 h GLY 93 Ca -0.46 0.45 -0.52 0.00 0.00 0.00 0.00 47.33 46.80 2dl0 h GLY 93 CO 0.57 -0.33 0.63 2.56 0.00 0.00 0.00 176.54 179.97 2dl0 s PRO 94 N -4.83 4.41 -0.13 4.80 0.04 -1.26 -5.02 135.00 133.01 2dl0 s PRO 94 Ca -0.12 2.04 -0.31 0.00 0.04 0.00 0.00 61.00 62.66 2dl0 s PRO 94 Cb 0.02 -3.18 0.13 0.00 0.04 0.00 0.00 34.50 31.51 2dl0 s PRO 94 CO 0.38 -0.21 1.05 0.45 0.04 0.00 0.00 177.00 178.72 2dl0 s SER 95 N 0.17 -0.27 0.44 6.66 0.15 -1.26 -5.17 113.70 114.41 2dl0 s SER 95 Ca 0.55 0.11 -0.08 0.00 0.70 0.00 0.00 55.95 57.23 2dl0 s SER 95 Cb -0.36 0.26 -0.05 0.00 -1.71 0.00 0.00 66.02 64.16 2dl0 s SER 95 CO 0.40 -0.38 0.78 -0.94 1.20 0.00 0.00 173.24 174.30 2dl0 s SER 96 N -1.89 6.39 0.00 5.45 1.04 -1.26 -5.22 113.70 118.20 2dl0 s SER 96 Ca 0.05 1.03 0.00 0.00 0.48 0.00 0.00 55.95 57.51 2dl0 s SER 96 Cb -0.01 -2.29 0.00 0.00 0.10 0.00 0.00 66.02 63.83 2dl0 s SER 96 CO -0.05 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.29