#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rte h LEU 3 N 0.00 0.70 -0.25 0.99 5.85 -2.01 -0.58 115.31 120.00 1rte h LEU 3 Ca 0.00 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 1rte h LEU 3 Cb 0.00 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1rte h LEU 3 CO 0.00 0.34 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.29 1rte h LEU 4 N 0.78 0.50 -0.52 2.25 3.38 -2.02 -0.85 115.31 118.83 1rte h LEU 4 Ca 0.47 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1rte h LEU 4 Cb 0.56 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1rte h LEU 4 CO -0.31 0.76 0.30 -1.28 0.09 0.00 0.00 178.44 178.01 1rte h SER 5 N 0.23 0.63 -0.71 -0.43 0.87 -1.86 -0.81 113.55 111.47 1rte h SER 5 Ca 0.06 -0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.49 1rte h SER 5 Cb 0.55 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.32 1rte h SER 5 CO 0.03 0.51 0.19 0.03 -0.53 0.00 0.00 176.83 177.07 1rte h ARG 6 N 0.69 1.12 -0.26 2.24 3.08 -0.94 -2.40 114.38 117.92 1rte h ARG 6 Ca 0.18 -0.25 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 1rte h ARG 6 Cb 0.01 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 1rte h ARG 6 CO -0.03 0.97 -0.12 -0.07 -1.07 0.00 0.00 179.97 179.65 1rte h LEU 7 N 1.07 0.41 -1.41 3.04 3.38 -0.82 -1.14 115.31 119.83 1rte h LEU 7 Ca 0.23 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1rte h LEU 7 Cb 0.34 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1rte h LEU 7 CO -0.00 0.56 0.00 0.03 0.09 0.00 0.00 178.44 179.12 1rte h ARG 8 N 0.40 0.00 -0.43 1.13 3.08 -0.66 -1.97 114.38 115.93 1rte h ARG 8 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1rte h ARG 8 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1rte h ARG 8 CO 0.03 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.56 1rte n LYS 9 N -2.84 3.37 -3.11 0.04 5.02 -0.80 -4.97 118.16 114.88 1rte n LYS 9 Ca 0.01 -2.71 -0.23 0.00 -2.02 0.00 0.00 58.31 53.36 1rte n LYS 9 Cb 0.25 -1.77 0.03 0.00 -0.02 0.00 0.00 35.03 33.52 1rte n LYS 9 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1rte n ARG 10 N 0.34 -4.88 -3.36 1.97 1.74 -0.74 -4.98 116.66 106.75 1rte n ARG 10 Ca 0.21 0.84 -0.38 0.00 -0.77 0.00 0.00 57.85 57.75 1rte n ARG 10 Cb 0.82 -5.70 -0.06 0.00 -1.02 0.00 0.00 32.46 26.50 1rte n ARG 10 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1rte s GLU 11 N -5.79 4.10 0.62 5.56 0.41 -0.50 -5.03 118.70 118.07 1rte s GLU 11 Ca 0.34 0.61 -0.18 0.00 -0.41 0.00 0.00 54.97 55.32 1rte s GLU 11 Cb -0.15 -3.24 -0.02 0.00 -1.78 0.00 0.00 34.13 28.93 1rte s GLU 11 CO 0.42 0.64 1.20 -1.25 -0.49 0.00 0.00 175.26 175.78 1rte s PRO 12 N -1.03 2.85 -0.02 0.39 0.04 -1.26 -4.44 135.00 131.53 1rte s PRO 12 Ca 0.27 1.79 -0.30 0.00 0.04 0.00 0.00 61.00 62.80 1rte s PRO 12 Cb -0.18 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 1rte s PRO 12 CO 0.17 -1.29 1.39 0.42 0.04 0.00 0.00 177.00 177.72 1rte s ILE 13 N -1.69 3.80 0.66 0.56 1.01 -1.26 -5.01 121.20 119.27 1rte s ILE 13 Ca 0.76 1.15 -0.11 0.00 0.00 0.00 0.00 60.65 62.45 1rte s ILE 13 Cb -0.30 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.42 1rte s ILE 13 CO 0.35 -0.02 1.05 -0.94 0.00 0.00 0.00 174.94 175.39 1rte s SER 14 N 1.93 5.87 0.19 3.58 1.04 -1.26 -4.90 113.70 120.16 1rte s SER 14 Ca 0.63 1.36 -0.12 0.00 0.48 0.00 0.00 55.95 58.30 1rte s SER 14 Cb -0.30 -2.32 0.20 0.00 0.10 0.00 0.00 66.02 63.70 1rte s SER 14 CO 0.25 -1.10 1.73 0.40 0.98 0.00 0.00 173.24 175.51 1rte h ILE 15 N -0.48 0.77 -0.46 -1.02 2.04 -1.90 -1.23 117.51 115.23 1rte h ILE 15 Ca -0.44 -0.11 0.09 0.00 1.00 0.00 0.00 64.86 65.40 1rte h ILE 15 Cb 1.21 0.43 -0.10 0.00 -0.74 0.00 0.00 36.82 37.62 1rte h ILE 15 CO 0.62 0.06 -0.35 0.22 0.00 0.00 0.00 178.15 178.70 1rte h TYR 16 N 0.31 -0.98 -0.44 1.37 3.20 -1.45 -2.06 116.97 116.93 1rte h TYR 16 Ca 0.26 0.06 -0.12 0.00 3.14 0.00 0.00 58.73 62.07 1rte h TYR 16 Cb 0.31 0.50 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 1rte h TYR 16 CO -0.19 -0.39 -0.20 -0.44 -1.64 0.00 0.00 178.16 175.29 1rte h ASP 17 N -0.24 0.89 1.28 -2.11 3.45 -1.73 0.27 116.42 118.23 1rte h ASP 17 Ca 0.18 -0.32 0.00 0.00 0.43 0.00 0.00 57.03 57.33 1rte h ASP 17 Cb 0.55 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 39.08 1rte h ASP 17 CO -0.59 1.06 0.00 0.07 -1.57 0.00 0.00 179.24 178.21 1rte h LYS 18 N 0.76 0.00 -0.29 3.56 2.10 -0.61 -2.39 116.57 119.70 1rte h LYS 18 Ca 0.11 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 1rte h LYS 18 Cb 0.74 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.07 1rte h LYS 18 CO 0.06 0.00 0.00 0.44 -2.00 0.00 0.00 179.45 177.95 1rte n ILE 19 N -3.03 0.37 0.00 0.07 -5.35 -0.83 -4.95 119.36 105.63 1rte n ILE 19 Ca 0.02 -0.61 0.00 0.00 -0.27 0.00 0.00 62.75 61.89 1rte n ILE 19 Cb 0.36 0.88 0.00 0.00 -1.74 0.00 0.00 39.64 39.14 1rte n ILE 19 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1rte n GLY 20 N 1.39 1.30 7.00 3.28 0.00 -0.90 -4.70 105.19 112.57 1rte n GLY 20 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1rte n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rte n GLY 21 N -1.11 0.65 0.23 -0.02 0.00 0.96 -3.36 105.19 102.54 1rte n GLY 21 Ca 0.00 -0.78 0.01 0.00 0.00 0.00 0.00 46.02 45.25 1rte n GLY 21 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1rte h HIS 22 N 0.00 0.20 -0.37 1.61 2.76 -1.97 -1.50 115.15 115.89 1rte h HIS 22 Ca 0.00 0.04 -0.09 0.00 -2.20 0.00 0.00 60.37 58.11 1rte h HIS 22 Cb 0.00 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 28.95 1rte h HIS 22 CO 0.00 -0.03 -0.16 0.93 -1.30 0.00 0.00 177.93 177.37 1rte h GLU 23 N 0.26 0.67 -0.31 5.26 5.08 -1.99 -1.00 114.58 122.55 1rte h GLU 23 Ca 0.31 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1rte h GLU 23 Cb 0.46 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1rte h GLU 23 CO -0.40 0.80 0.14 0.00 -1.00 0.00 0.00 179.01 178.54 1rte h ALA 24 N 1.22 0.40 -0.90 3.43 0.00 -1.31 -2.22 119.26 119.87 1rte h ALA 24 Ca 0.10 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1rte h ALA 24 Cb 0.62 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1rte h ALA 24 CO 0.04 -0.03 0.60 0.82 0.00 0.00 0.00 179.25 180.68 1rte h ILE 25 N 0.35 1.22 -0.35 0.00 1.08 -0.86 -1.30 117.51 117.65 1rte h ILE 25 Ca 0.10 -0.41 -0.04 0.00 -0.39 0.00 0.00 64.86 64.12 1rte h ILE 25 Cb 0.15 -0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 33.79 1rte h ILE 25 CO -0.01 0.22 0.06 -0.33 -0.69 0.00 0.00 178.15 177.40 1rte h GLU 26 N 1.21 0.57 -0.28 2.37 5.08 -1.07 -0.22 114.58 122.24 1rte h GLU 26 Ca 0.33 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1rte h GLU 26 Cb -0.12 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1rte h GLU 26 CO -0.08 0.65 0.13 0.28 -1.00 0.00 0.00 179.01 179.00 1rte h VAL 27 N 0.41 1.16 -0.55 3.13 2.07 -1.13 -2.33 116.25 119.01 1rte h VAL 27 Ca 0.11 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1rte h VAL 27 Cb 0.35 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1rte h VAL 27 CO 0.01 0.16 0.23 0.58 0.02 0.00 0.00 177.57 178.57 1rte h VAL 28 N 0.32 1.22 -0.55 2.57 2.07 -1.13 -2.41 116.25 118.34 1rte h VAL 28 Ca 0.10 -0.66 -0.07 0.00 0.82 0.00 0.00 66.70 66.89 1rte h VAL 28 Cb 0.13 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1rte h VAL 28 CO -0.01 0.26 0.08 0.58 0.02 0.00 0.00 177.57 178.50 1rte h VAL 29 N 0.75 1.25 -0.18 2.57 2.07 -0.94 0.46 116.25 122.22 1rte h VAL 29 Ca 0.18 -0.97 0.04 0.00 0.82 0.00 0.00 66.70 66.77 1rte h VAL 29 Cb 0.18 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1rte h VAL 29 CO -0.02 0.35 -0.08 -0.08 0.02 0.00 0.00 177.57 177.77 1rte h GLU 30 N 0.80 -0.05 -0.55 1.57 4.57 -1.32 -1.85 114.58 117.76 1rte h GLU 30 Ca 0.17 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1rte h GLU 30 Cb 0.42 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.99 1rte h GLU 30 CO 0.01 -0.03 0.35 0.22 -1.18 0.00 0.00 179.01 178.38 1rte h ASP 31 N -0.05 0.64 -0.38 1.04 3.58 -1.19 -2.43 116.42 117.63 1rte h ASP 31 Ca 0.10 -0.04 0.07 0.00 0.42 0.00 0.00 57.03 57.58 1rte h ASP 31 Cb 0.20 -0.16 -0.06 0.00 1.72 0.00 0.00 39.33 41.02 1rte h ASP 31 CO -0.22 0.49 -0.02 0.15 -2.88 0.00 0.00 179.24 176.75 1rte h PHE 32 N 0.74 -0.07 0.00 0.28 3.57 -0.53 -1.11 116.94 119.82 1rte h PHE 32 Ca 0.20 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.60 1rte h PHE 32 Cb -0.05 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 1rte h PHE 32 CO -0.03 -0.10 -0.62 1.88 -2.23 0.00 0.00 178.31 177.21 1rte h TYR 33 N 0.07 0.00 -0.35 0.41 -1.99 -1.23 0.37 116.97 114.25 1rte h TYR 33 Ca 0.18 0.00 0.06 0.00 2.00 0.00 0.00 58.73 60.97 1rte h TYR 33 Cb 0.26 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 38.94 1rte h TYR 33 CO -0.28 0.62 0.02 0.28 -0.00 0.00 0.00 178.16 178.80 1rte h VAL 34 N 0.00 0.76 -0.39 -2.88 2.07 -0.88 -1.05 116.25 113.87 1rte h VAL 34 Ca -0.01 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 1rte h VAL 34 Cb 1.18 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1rte h VAL 34 CO 0.08 0.02 0.14 0.03 0.02 0.00 0.00 177.57 177.87 1rte h ARG 35 N 0.12 0.60 -0.27 1.57 3.08 -0.43 -2.52 114.38 116.53 1rte h ARG 35 Ca 0.17 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 1rte h ARG 35 Cb 0.23 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1rte h ARG 35 CO -0.27 0.58 0.05 0.28 -1.07 0.00 0.00 179.97 179.55 1rte h VAL 36 N 0.49 1.22 0.00 2.04 2.07 -0.77 -2.87 116.25 118.43 1rte h VAL 36 Ca 0.13 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1rte h VAL 36 Cb 0.22 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1rte h VAL 36 CO -0.01 0.24 0.00 -0.07 0.02 0.00 0.00 177.57 177.76 1rte h LEU 37 N 0.27 0.00 -1.03 2.57 3.38 -1.14 -2.28 115.31 117.08 1rte h LEU 37 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1rte h LEU 37 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1rte h LEU 37 CO 0.00 0.00 -0.23 0.00 0.09 0.00 0.00 178.44 178.31 1rte n ALA 38 N -1.82 3.01 -2.57 1.53 0.00 -0.95 -4.64 120.51 115.07 1rte n ALA 38 Ca 0.03 -0.54 -0.42 0.00 0.00 0.00 0.00 53.44 52.51 1rte n ALA 38 Cb 0.28 -0.97 -0.07 0.00 0.00 0.00 0.00 19.45 18.69 1rte n ALA 38 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1rte s ASP 39 N -2.30 6.40 0.66 0.00 3.68 -0.86 -4.95 116.67 119.30 1rte s ASP 39 Ca 0.26 0.09 0.42 0.00 2.13 0.00 0.00 52.55 55.45 1rte s ASP 39 Cb 0.19 -2.32 2.31 0.00 -1.45 0.00 0.00 42.92 41.65 1rte s ASP 39 CO 0.46 -0.58 2.34 -2.24 0.13 0.00 0.00 175.17 175.27 1rte h ASP 40 N 8.48 0.00 1.05 -0.34 2.03 -1.87 -0.57 116.42 125.20 1rte h ASP 40 Ca -0.27 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.03 1rte h ASP 40 Cb 1.11 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.61 1rte h ASP 40 CO 0.83 0.00 -0.22 0.00 -1.03 0.00 0.00 179.24 178.82 1rte n GLN 41 N -3.20 0.16 0.00 4.15 1.13 -1.26 -4.34 117.38 114.02 1rte n GLN 41 Ca -0.03 0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 1rte n GLN 41 Cb 0.09 -1.65 0.00 0.00 0.11 0.00 0.00 30.24 28.79 1rte n GLN 41 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1rte n LEU 42 N -1.90 0.16 -0.32 1.08 4.77 -0.35 -4.83 117.00 115.60 1rte n LEU 42 Ca 0.05 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.14 1rte n LEU 42 Cb 0.39 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.81 1rte n LEU 42 CO 0.32 0.03 1.22 0.77 -1.33 0.00 0.00 177.39 178.39 1rte h SER 43 N 0.00 0.76 -0.52 -1.43 4.64 -1.33 -2.09 113.55 113.58 1rte h SER 43 Ca 0.00 0.05 0.04 0.00 -0.47 0.00 0.00 61.79 61.42 1rte h SER 43 Cb 0.94 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.90 1rte h SER 43 CO 0.00 0.37 0.35 0.00 -0.87 0.00 0.00 176.83 176.67 1rte h ALA 44 N 1.59 1.81 -0.55 5.18 0.00 -1.86 -1.75 119.26 123.67 1rte h ALA 44 Ca 0.49 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.54 1rte h ALA 44 Cb 0.70 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1rte h ALA 44 CO -0.26 0.12 0.43 0.74 0.00 0.00 0.00 179.25 180.28 1rte h PHE 45 N 0.54 0.00 -0.34 0.00 -1.00 -1.73 -2.33 116.94 112.08 1rte h PHE 45 Ca 0.22 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.00 1rte h PHE 45 Cb 0.18 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.74 1rte h PHE 45 CO -0.00 0.00 0.00 1.19 -1.61 0.00 0.00 178.31 177.89 1rte n PHE 46 N -4.21 0.45 0.29 -0.55 3.01 -0.66 -4.57 117.46 111.22 1rte n PHE 46 Ca 0.10 -0.36 0.17 0.00 1.01 0.00 0.00 57.45 58.37 1rte n PHE 46 Cb 0.65 -0.01 0.96 0.00 -0.01 0.00 0.00 39.48 41.07 1rte n PHE 46 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1rte h SER 47 N 2.79 0.00 -0.64 4.37 0.87 -1.41 -1.63 113.55 117.90 1rte h SER 47 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1rte h SER 47 Cb 0.76 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1rte h SER 47 CO 0.00 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 1rte n GLY 48 N -1.28 2.77 3.68 5.77 0.00 -1.26 -5.00 105.19 109.87 1rte n GLY 48 Ca -0.02 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 1rte n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rte s THR 49 N -1.77 4.37 -0.67 2.61 2.01 -0.61 -5.06 115.64 116.51 1rte s THR 49 Ca 0.50 -0.22 -0.27 0.00 0.31 0.00 0.00 61.69 62.01 1rte s THR 49 Cb 0.32 -2.86 0.02 0.00 0.01 0.00 0.00 72.50 69.99 1rte s THR 49 CO 0.25 0.59 1.42 0.21 -0.69 0.00 0.00 174.62 176.40 1rte s ASN 50 N -0.72 5.99 0.24 3.53 3.84 -1.26 -4.89 114.94 121.67 1rte s ASN 50 Ca 0.11 -0.13 0.03 0.00 0.21 0.00 0.00 52.86 53.08 1rte s ASN 50 Cb -0.12 -2.55 0.26 0.00 -0.55 0.00 0.00 41.25 38.30 1rte s ASN 50 CO 0.02 -1.91 1.58 0.24 -2.79 0.00 0.00 177.10 174.25 1rte h MET 51 N 11.19 0.35 -0.82 0.43 2.86 -1.97 -1.07 114.93 125.90 1rte h MET 51 Ca -0.27 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.17 1rte h MET 51 Cb 1.08 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.72 1rte h MET 51 CO 1.24 0.79 0.53 0.77 1.06 0.00 0.00 176.91 181.30 1rte h SER 52 N 0.27 0.95 -0.14 1.22 0.02 -2.00 -0.17 113.55 113.70 1rte h SER 52 Ca 0.01 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 1rte h SER 52 Cb 1.01 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.31 1rte h SER 52 CO 0.09 0.70 -0.09 -0.09 -1.14 0.00 0.00 176.83 176.30 1rte h ARG 53 N 1.11 0.31 -0.26 3.45 2.43 -1.85 -2.89 114.38 116.69 1rte h ARG 53 Ca 0.30 -0.15 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 1rte h ARG 53 Cb -0.11 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 1rte h ARG 53 CO -0.06 0.66 0.07 1.25 -1.51 0.00 0.00 179.97 180.38 1rte h LEU 54 N -0.04 0.06 -1.26 3.80 5.85 -1.01 -1.66 115.31 121.05 1rte h LEU 54 Ca 0.03 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.81 1rte h LEU 54 Cb 0.58 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 1rte h LEU 54 CO 0.02 0.07 0.51 0.11 -0.34 0.00 0.00 178.44 178.82 1rte h LYS 55 N 0.18 0.95 -0.33 1.25 1.57 -1.03 0.16 116.57 119.33 1rte h LYS 55 Ca 0.12 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1rte h LYS 55 Cb 0.10 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1rte h LYS 55 CO -0.13 0.63 0.06 0.78 -0.57 0.00 0.00 179.45 180.21 1rte h GLY 56 N 0.98 0.58 1.18 3.86 0.00 -1.21 0.69 103.07 109.14 1rte h GLY 56 Ca 0.30 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 1rte h GLY 56 CO -0.08 0.35 0.22 0.50 0.00 0.00 0.00 176.54 177.53 1rte h LYS 57 N 0.37 1.04 -0.22 4.80 1.79 -0.23 -2.13 116.57 121.99 1rte h LYS 57 Ca 0.10 -0.21 -0.17 0.00 -2.18 0.00 0.00 60.65 58.19 1rte h LYS 57 Cb 0.34 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1rte h LYS 57 CO 0.01 0.88 -0.57 0.37 -1.08 0.00 0.00 179.45 179.06 1rte h GLN 58 N 1.00 0.68 -0.29 3.15 5.75 -0.49 0.26 115.11 125.16 1rte h GLN 58 Ca 0.22 -0.44 0.03 0.00 -0.15 0.00 0.00 58.65 58.31 1rte h GLN 58 Cb 0.27 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.85 1rte h GLN 58 CO -0.01 1.06 0.11 0.28 -2.65 0.00 0.00 178.83 177.62 1rte h VAL 59 N 0.51 0.94 -0.29 2.39 2.07 -0.73 0.13 116.25 121.27 1rte h VAL 59 Ca 0.01 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1rte h VAL 59 Cb 1.14 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1rte h VAL 59 CO 0.11 0.05 0.17 -0.33 0.02 0.00 0.00 177.57 177.59 1rte h GLU 60 N 0.25 0.40 -0.19 1.57 5.08 -1.03 -1.50 114.58 119.16 1rte h GLU 60 Ca 0.13 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1rte h GLU 60 Cb 0.08 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1rte h GLU 60 CO -0.12 0.33 0.06 0.35 -1.00 0.00 0.00 179.01 178.63 1rte h PHE 61 N 0.36 0.30 -0.05 4.33 3.57 -0.26 -1.15 116.94 124.04 1rte h PHE 61 Ca 0.10 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1rte h PHE 61 Cb 0.04 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.69 1rte h PHE 61 CO -0.04 0.38 0.03 0.74 -2.23 0.00 0.00 178.31 177.19 1rte h PHE 62 N 0.13 0.08 -0.37 0.41 0.04 -0.75 -1.55 116.94 114.94 1rte h PHE 62 Ca 0.06 -0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.91 1rte h PHE 62 Cb 0.22 -0.02 -0.08 0.00 2.20 0.00 0.00 35.95 38.27 1rte h PHE 62 CO -0.00 0.16 -0.13 0.00 -0.60 0.00 0.00 178.31 177.74 1rte h ALA 63 N 0.91 0.18 -1.00 2.45 0.00 -1.18 -1.86 119.26 118.77 1rte h ALA 63 Ca 0.02 0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1rte h ALA 63 Cb 0.11 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1rte h ALA 63 CO -0.00 -0.50 0.66 0.00 0.00 0.00 0.00 179.25 179.41 1rte h ALA 64 N 1.28 1.29 0.00 0.00 0.00 -1.10 0.21 119.26 120.94 1rte h ALA 64 Ca 0.18 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1rte h ALA 64 Cb 0.34 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1rte h ALA 64 CO -0.41 0.63 -0.22 0.00 0.00 0.00 0.00 179.25 179.24 1rte h ALA 65 N 1.38 1.22 -0.13 0.00 0.00 -0.51 -2.91 119.26 118.31 1rte h ALA 65 Ca 0.38 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1rte h ALA 65 Cb -0.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1rte h ALA 65 CO -0.09 0.28 0.00 1.28 0.00 0.00 0.00 179.25 180.72 1rte n LEU 66 N -3.67 2.80 0.00 0.00 4.77 -0.81 -4.95 117.00 115.13 1rte n LEU 66 Ca -0.01 -1.18 0.00 0.00 -0.03 0.00 0.00 56.01 54.79 1rte n LEU 66 Cb 0.34 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1rte n LEU 66 CO 0.33 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 1rte n GLY 67 N 1.12 1.23 3.82 -0.72 0.00 -0.99 -1.09 105.19 108.57 1rte n GLY 67 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 1rte n GLY 67 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rte s GLY 68 N -2.00 1.65 0.00 -0.02 0.00 0.71 -4.88 107.32 102.78 1rte s GLY 68 Ca 0.00 -0.02 0.20 0.00 0.00 0.00 0.00 44.72 44.90 1rte s GLY 68 CO 0.00 0.32 1.58 -1.55 0.00 0.00 0.00 173.10 173.45 1rte n PRO 69 N -3.17 0.69 -2.31 2.90 -0.04 -1.26 -4.45 135.00 127.36 1rte n PRO 69 Ca 0.07 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.12 1rte n PRO 69 Cb 0.54 -1.44 -0.03 0.00 -0.04 0.00 0.00 33.50 32.53 1rte n PRO 69 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1rte s GLU 70 N -2.00 4.41 0.07 0.54 0.41 -1.26 -4.99 118.70 115.87 1rte s GLU 70 Ca 0.29 1.92 -0.30 0.00 -0.41 0.00 0.00 54.97 56.47 1rte s GLU 70 Cb 0.13 -3.27 -0.09 0.00 -1.78 0.00 0.00 34.13 29.12 1rte s GLU 70 CO 0.23 -0.26 1.84 -2.14 -0.49 0.00 0.00 175.26 174.44 1rte s PRO 71 N 0.57 4.15 -0.19 0.39 0.02 -1.26 -4.47 135.00 134.21 1rte s PRO 71 Ca 0.59 2.53 -0.27 0.00 0.02 0.00 0.00 61.00 63.86 1rte s PRO 71 Cb -0.33 -3.85 -0.00 0.00 0.02 0.00 0.00 34.50 30.33 1rte s PRO 71 CO 0.33 -0.87 0.93 -0.47 -0.33 0.00 0.00 177.00 176.59 1rte s TYR 72 N 3.52 3.39 -1.89 6.54 5.04 -1.26 -4.83 117.35 127.87 1rte s TYR 72 Ca 0.82 1.37 0.20 0.00 -2.44 0.00 0.00 57.07 57.02 1rte s TYR 72 Cb -0.43 -3.14 0.46 0.00 0.35 0.00 0.00 41.96 39.21 1rte s TYR 72 CO 0.37 -0.34 1.38 0.25 -1.34 0.00 0.00 175.55 175.87 1rte n THR 73 N 4.98 0.76 -2.29 4.34 -2.24 -1.26 -5.00 114.28 113.56 1rte n THR 73 Ca 0.08 -0.88 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 1rte n THR 73 Cb 0.48 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 1rte n THR 73 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rte n GLY 74 N 1.29 1.12 3.95 3.38 0.00 -1.26 -5.11 105.19 108.57 1rte n GLY 74 Ca 0.19 -1.99 -0.23 0.00 0.00 0.00 0.00 46.02 43.99 1rte n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rte s ALA 75 N -2.54 3.75 0.47 4.61 0.00 -1.26 -5.05 121.76 121.74 1rte s ALA 75 Ca 0.00 -1.10 -0.23 0.00 0.00 0.00 0.00 51.96 50.63 1rte s ALA 75 Cb 0.00 -2.17 -0.07 0.00 0.00 0.00 0.00 23.12 20.88 1rte s ALA 75 CO 0.00 -0.52 1.26 -2.14 0.00 0.00 0.00 175.76 174.36 1rte s PRO 76 N -4.65 3.64 0.22 0.00 0.02 -1.26 -4.85 135.00 128.12 1rte s PRO 76 Ca 0.51 2.01 -0.08 0.00 0.02 0.00 0.00 61.00 63.47 1rte s PRO 76 Cb -0.10 -2.46 0.29 0.00 0.02 0.00 0.00 34.50 32.25 1rte s PRO 76 CO 0.39 -0.72 1.80 0.52 -0.33 0.00 0.00 177.00 178.66 1rte h MET 77 N 2.06 0.65 -0.30 5.54 2.86 -1.96 -1.45 114.93 122.32 1rte h MET 77 Ca -0.50 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.08 1rte h MET 77 Cb 1.26 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 1rte h MET 77 CO 0.60 0.43 0.10 -0.22 1.06 0.00 0.00 176.91 178.88 1rte h LYS 78 N 0.67 0.46 -0.43 1.72 3.64 -1.93 -2.42 116.57 118.29 1rte h LYS 78 Ca 0.33 -0.10 -0.14 0.00 -1.27 0.00 0.00 60.65 59.47 1rte h LYS 78 Cb 0.27 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 1rte h LYS 78 CO -0.22 0.50 -0.30 0.37 -2.27 0.00 0.00 179.45 177.54 1rte h GLN 79 N 0.33 0.95 -0.54 1.90 4.15 -1.81 -1.33 115.11 118.76 1rte h GLN 79 Ca 0.10 -0.45 -0.06 0.00 0.77 0.00 0.00 58.65 59.01 1rte h GLN 79 Cb 0.23 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 1rte h GLN 79 CO -0.00 1.11 0.12 0.28 -1.93 0.00 0.00 178.83 178.41 1rte h VAL 80 N 0.80 1.25 0.00 2.39 2.07 -1.21 -3.31 116.25 118.23 1rte h VAL 80 Ca 0.09 -0.90 -0.09 0.00 0.82 0.00 0.00 66.70 66.62 1rte h VAL 80 Cb 0.88 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1rte h VAL 80 CO 0.08 0.33 -1.52 1.41 0.02 0.00 0.00 177.57 177.88 1rte n HIS 81 N -4.40 0.63 -1.86 1.57 8.25 -0.92 -4.93 115.22 113.57 1rte n HIS 81 Ca 0.02 0.20 -0.40 0.00 -0.26 0.00 0.00 57.72 57.28 1rte n HIS 81 Cb 0.24 -0.89 0.01 0.00 1.12 0.00 0.00 29.99 30.47 1rte n HIS 81 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1rte s GLN 82 N -3.18 3.74 0.00 -0.41 -2.07 -0.51 -2.13 119.66 115.10 1rte s GLN 82 Ca -0.04 2.35 0.00 0.00 -1.82 0.00 0.00 55.36 55.85 1rte s GLN 82 Cb 0.10 -2.67 0.00 0.00 -1.09 0.00 0.00 33.01 29.35 1rte s GLN 82 CO 0.83 -0.75 0.00 0.41 -1.32 0.00 0.00 175.29 174.46 1rte n GLY 83 N 0.60 1.02 0.46 2.60 0.00 -1.26 -4.88 105.19 103.72 1rte n GLY 83 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 1rte n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rte n ARG 84 N -2.00 1.62 -2.78 1.61 1.74 -0.91 -4.92 116.66 111.04 1rte n ARG 84 Ca 0.00 -0.92 -0.16 0.00 -0.77 0.00 0.00 57.85 56.00 1rte n ARG 84 Cb 0.00 -1.44 0.02 0.00 -1.02 0.00 0.00 32.46 30.03 1rte n ARG 84 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rte n GLY 85 N 1.13 -0.21 3.67 -0.13 0.00 -1.26 -4.98 105.19 103.41 1rte n GLY 85 Ca 0.18 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1rte n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rte s ILE 86 N -2.99 4.97 0.48 -0.61 1.01 -1.26 -4.93 121.20 117.87 1rte s ILE 86 Ca 0.21 1.38 0.08 0.00 0.00 0.00 0.00 60.65 62.32 1rte s ILE 86 Cb -0.09 -4.03 0.03 0.00 0.01 0.00 0.00 42.46 38.38 1rte s ILE 86 CO 0.25 0.10 0.53 0.42 0.00 0.00 0.00 174.94 176.24 1rte s THR 87 N 1.86 2.38 0.44 2.92 -4.23 -1.26 -1.19 115.64 116.55 1rte s THR 87 Ca 0.33 -1.22 0.14 0.00 -1.18 0.00 0.00 61.69 59.76 1rte s THR 87 Cb -0.16 -2.60 0.17 0.00 1.34 0.00 0.00 72.50 71.25 1rte s THR 87 CO 0.12 0.00 1.97 -0.03 -0.54 0.00 0.00 174.62 176.14 1rte h MET 88 N 0.68 0.01 -0.37 3.99 4.05 -1.95 0.55 114.93 121.89 1rte h MET 88 Ca -0.37 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.05 1rte h MET 88 Cb 1.28 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.06 1rte h MET 88 CO 0.51 0.21 0.23 1.25 0.23 0.00 0.00 176.91 179.33 1rte h HIS 89 N 0.01 0.48 -0.07 1.39 -0.00 -1.95 0.15 115.15 115.16 1rte h HIS 89 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.37 1rte h HIS 89 Cb 0.36 -0.16 -0.00 0.00 -0.00 0.00 0.00 27.41 27.60 1rte h HIS 89 CO 0.00 0.32 0.02 0.45 -0.00 0.00 0.00 177.93 178.72 1rte h HIS 90 N 0.49 0.12 -0.87 5.26 -0.00 -1.73 -1.84 115.15 116.58 1rte h HIS 90 Ca 0.13 -0.02 0.13 0.00 -0.00 0.00 0.00 60.37 60.62 1rte h HIS 90 Cb -0.02 -0.03 -0.09 0.00 -0.00 0.00 0.00 27.41 27.27 1rte h HIS 90 CO -0.04 0.31 0.49 0.35 -0.00 0.00 0.00 177.93 179.03 1rte h PHE 91 N -0.10 0.86 -0.36 2.45 3.57 -0.74 -1.27 116.94 121.35 1rte h PHE 91 Ca 0.02 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.43 1rte h PHE 91 Cb 0.25 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1rte h PHE 91 CO 0.01 0.27 -0.28 0.77 -2.23 0.00 0.00 178.31 176.84 1rte h SER 92 N 0.73 0.79 -0.60 0.41 0.02 -0.44 -0.42 113.55 114.04 1rte h SER 92 Ca 0.46 -0.31 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 1rte h SER 92 Cb 0.57 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1rte h SER 92 CO -0.32 1.03 0.14 -0.07 -1.14 0.00 0.00 176.83 176.47 1rte h LEU 93 N 0.66 0.92 -0.43 5.07 3.38 -0.63 0.15 115.31 124.44 1rte h LEU 93 Ca 0.08 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 1rte h LEU 93 Cb 0.81 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1rte h LEU 93 CO 0.07 0.92 0.02 0.58 0.09 0.00 0.00 178.44 180.12 1rte h VAL 94 N 0.88 1.26 -0.51 1.22 2.07 -0.89 -1.50 116.25 118.78 1rte h VAL 94 Ca 0.19 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.70 1rte h VAL 94 Cb 0.36 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1rte h VAL 94 CO 0.00 0.34 0.25 0.00 0.02 0.00 0.00 177.57 178.18 1rte h ALA 95 N 0.91 1.48 -0.73 1.67 0.00 -0.77 -1.00 119.26 120.82 1rte h ALA 95 Ca 0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1rte h ALA 95 Cb 0.46 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1rte h ALA 95 CO 0.02 0.42 0.44 0.78 0.00 0.00 0.00 179.25 180.90 1rte h GLY 96 N 0.81 1.06 1.53 0.00 0.00 -0.02 -0.44 103.07 106.02 1rte h GLY 96 Ca 0.18 -0.44 -0.13 0.00 0.00 0.00 0.00 47.33 46.93 1rte h GLY 96 CO -0.02 0.43 -0.44 0.45 0.00 0.00 0.00 176.54 176.96 1rte h HIS 97 N 1.00 0.61 -0.02 5.60 3.86 -0.69 -0.36 115.15 125.15 1rte h HIS 97 Ca 0.26 -0.18 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1rte h HIS 97 Cb -0.03 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.31 1rte h HIS 97 CO -0.01 0.86 0.01 1.25 0.86 0.00 0.00 177.93 180.90 1rte h LEU 98 N 0.41 0.02 -0.76 2.43 5.85 -0.87 -0.89 115.31 121.51 1rte h LEU 98 Ca 0.03 -0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.74 1rte h LEU 98 Cb 0.93 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.89 1rte h LEU 98 CO 0.08 0.11 0.42 0.00 -0.34 0.00 0.00 178.44 178.71 1rte h ALA 99 N 0.92 1.06 -0.59 1.25 0.00 -0.91 -0.83 119.26 120.17 1rte h ALA 99 Ca 0.01 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1rte h ALA 99 Cb 0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1rte h ALA 99 CO -0.00 0.06 0.14 -0.44 0.00 0.00 0.00 179.25 179.02 1rte h ASP 100 N 0.73 0.85 -0.18 0.00 3.32 -0.83 -0.24 116.42 120.08 1rte h ASP 100 Ca 0.36 -0.16 -0.15 0.00 0.02 0.00 0.00 57.03 57.10 1rte h ASP 100 Cb 0.30 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1rte h ASP 100 CO -0.23 0.83 -0.41 0.00 -1.72 0.00 0.00 179.24 177.70 1rte h ALA 101 N 1.29 0.72 -0.21 3.45 0.00 -0.64 -1.31 119.26 122.56 1rte h ALA 101 Ca 0.19 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1rte h ALA 101 Cb 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1rte h ALA 101 CO -0.00 0.66 0.09 -0.07 0.00 0.00 0.00 179.25 179.94 1rte h LEU 102 N 0.59 0.28 -0.47 0.00 3.38 -0.71 -1.42 115.31 116.96 1rte h LEU 102 Ca 0.05 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1rte h LEU 102 Cb 0.96 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 1rte h LEU 102 CO 0.09 0.35 0.24 0.74 0.09 0.00 0.00 178.44 179.95 1rte h THR 103 N 0.20 0.97 0.00 0.22 2.02 -1.01 -1.73 112.91 113.58 1rte h THR 103 Ca 0.07 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 67.05 1rte h THR 103 Cb 0.14 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1rte h THR 103 CO -0.01 0.09 -0.19 0.00 0.37 0.00 0.00 175.52 175.78 1rte h ALA 104 N 1.25 1.64 -0.00 6.16 0.00 -1.03 0.08 119.26 127.35 1rte h ALA 104 Ca 0.20 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1rte h ALA 104 Cb 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1rte h ALA 104 CO -0.14 0.24 -0.09 0.00 0.00 0.00 0.00 179.25 179.27 1rte n ALA 105 N -2.48 2.66 -0.39 0.00 0.00 -0.55 -4.93 120.51 114.81 1rte n ALA 105 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1rte n ALA 105 Cb 0.26 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1rte n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rte n GLY 106 N 1.34 0.80 3.69 0.00 0.00 0.01 -5.03 105.19 106.00 1rte n GLY 106 Ca 0.12 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1rte n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rte s VAL 107 N -2.00 3.31 0.35 1.61 1.01 -0.72 -4.96 120.40 119.01 1rte s VAL 107 Ca 0.00 0.78 -0.27 0.00 0.00 0.00 0.00 61.98 62.48 1rte s VAL 107 Cb 0.00 -3.50 -0.12 0.00 0.00 0.00 0.00 36.38 32.76 1rte s VAL 107 CO 0.00 0.01 1.23 -2.65 0.00 0.00 0.00 175.10 173.69 1rte n PRO 108 N 5.23 1.94 -0.08 2.72 -0.02 -1.26 -4.53 135.00 139.00 1rte n PRO 108 Ca 0.14 0.68 0.04 0.00 -2.02 0.00 0.00 63.50 62.34 1rte n PRO 108 Cb 0.42 -2.25 0.38 0.00 -0.02 0.00 0.00 33.50 32.02 1rte n PRO 108 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1rte h SER 109 N 2.33 0.58 -0.63 2.55 4.64 -1.99 0.64 113.55 121.67 1rte h SER 109 Ca -0.45 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1rte h SER 109 Cb 1.30 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 63.21 1rte h SER 109 CO 0.61 0.41 0.41 -0.33 -0.87 0.00 0.00 176.83 177.06 1rte h GLU 110 N 0.68 0.84 0.00 4.77 3.07 -2.00 -1.51 114.58 120.43 1rte h GLU 110 Ca 0.21 -0.06 -0.18 0.00 -0.50 0.00 0.00 59.36 58.83 1rte h GLU 110 Cb 0.00 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.70 1rte h GLU 110 CO -0.05 0.57 -0.85 1.15 -1.40 0.00 0.00 179.01 178.43 1rte h THR 111 N 0.87 1.58 -0.40 1.13 2.02 -1.23 -2.36 112.91 114.52 1rte h THR 111 Ca 0.23 -2.83 -0.04 0.00 0.77 0.00 0.00 66.41 64.54 1rte h THR 111 Cb -0.07 2.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.86 1rte h THR 111 CO -0.05 0.81 0.09 0.40 0.37 0.00 0.00 175.52 177.15 1rte h ILE 112 N 0.02 1.23 -0.93 3.11 2.04 -0.91 0.08 117.51 122.14 1rte h ILE 112 Ca -0.02 -0.80 0.06 0.00 1.00 0.00 0.00 64.86 65.11 1rte h ILE 112 Cb 1.49 0.99 -0.06 0.00 -0.74 0.00 0.00 36.82 38.50 1rte h ILE 112 CO 0.11 0.28 0.61 0.74 0.00 0.00 0.00 178.15 179.89 1rte h THR 113 N 0.50 1.08 -0.64 -0.27 2.02 -1.24 0.83 112.91 115.20 1rte h THR 113 Ca 0.12 -0.37 -0.07 0.00 0.77 0.00 0.00 66.41 66.86 1rte h THR 113 Cb 0.32 -0.10 -0.03 0.00 -1.74 0.00 0.00 68.15 66.61 1rte h THR 113 CO 0.00 0.20 0.13 -0.08 0.37 0.00 0.00 175.52 176.14 1rte h GLU 114 N 1.08 1.04 -0.49 6.66 4.81 -0.92 -1.67 114.58 125.10 1rte h GLU 114 Ca 0.40 -0.26 -0.11 0.00 -0.13 0.00 0.00 59.36 59.25 1rte h GLU 114 Cb 0.17 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1rte h GLU 114 CO -0.15 0.95 -0.13 0.82 -0.73 0.00 0.00 179.01 179.77 1rte h ILE 115 N 0.95 1.27 -0.04 2.32 2.04 0.22 -2.39 117.51 121.88 1rte h ILE 115 Ca 0.20 -1.27 -0.05 0.00 1.00 0.00 0.00 64.86 64.73 1rte h ILE 115 Cb 0.40 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1rte h ILE 115 CO 0.01 0.44 -0.21 -0.07 0.00 0.00 0.00 178.15 178.32 1rte h LEU 116 N 0.80 0.06 -1.76 1.44 3.38 -0.73 -0.54 115.31 117.95 1rte h LEU 116 Ca 0.12 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1rte h LEU 116 Cb 0.69 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1rte h LEU 116 CO 0.05 0.28 -0.16 1.23 0.09 0.00 0.00 178.44 179.93 1rte h GLY 117 N 0.72 0.00 1.52 0.83 0.00 -0.81 0.15 103.07 105.48 1rte h GLY 117 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.09 1rte h GLY 117 CO 0.03 0.00 -1.33 -2.08 0.00 0.00 0.00 176.54 173.16 1rte h VAL 118 N 0.00 1.33 0.06 4.60 2.07 -0.76 -3.39 116.25 120.15 1rte h VAL 118 Ca -0.00 -3.07 -0.30 0.00 0.82 0.00 0.00 66.70 64.14 1rte h VAL 118 Cb 0.39 2.69 -0.03 0.00 -1.52 0.00 0.00 31.29 32.82 1rte h VAL 118 CO 0.02 0.78 -1.62 0.40 0.02 0.00 0.00 177.57 177.17 1rte h ILE 119 N 0.01 1.00 -0.95 4.57 1.08 -0.88 -3.39 117.51 118.96 1rte h ILE 119 Ca -0.14 -2.75 0.01 0.00 -0.39 0.00 0.00 64.86 61.59 1rte h ILE 119 Cb 1.90 2.60 -0.05 0.00 -3.07 0.00 0.00 36.82 38.20 1rte h ILE 119 CO 0.12 0.73 0.63 0.00 -0.69 0.00 0.00 178.15 178.94 1rte h ALA 120 N 0.66 1.21 -0.01 1.87 0.00 -0.91 -0.17 119.26 121.91 1rte h ALA 120 Ca -0.27 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1rte h ALA 120 Cb 1.99 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 1rte h ALA 120 CO 0.12 0.59 0.02 -1.35 0.00 0.00 0.00 179.25 178.63 1rte h PRO 121 N 1.28 0.00 0.00 0.00 0.11 -1.81 -1.60 132.00 129.99 1rte h PRO 121 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 1rte h PRO 121 Cb -0.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 30.97 1rte h PRO 121 CO -0.08 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.64 1rte h LEU 122 N 0.00 0.00 -2.12 2.35 3.38 -1.26 -2.85 115.31 114.81 1rte h LEU 122 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rte h LEU 122 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1rte h LEU 122 CO -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 178.44 178.52 1rte h ALA 123 N 2.17 1.85 -0.69 1.53 0.00 -1.42 0.09 119.26 122.78 1rte h ALA 123 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1rte h ALA 123 Cb 0.26 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1rte h ALA 123 CO 0.00 0.01 0.46 0.28 0.00 0.00 0.00 179.25 179.99 1rte h VAL 124 N 0.00 1.18 0.04 0.00 2.07 -1.73 -0.04 116.25 117.77 1rte h VAL 124 Ca -0.00 -0.34 -0.26 0.00 0.82 0.00 0.00 66.70 66.92 1rte h VAL 124 Cb 0.01 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 29.92 1rte h VAL 124 CO 0.00 0.18 -1.34 0.44 0.02 0.00 0.00 177.57 176.87 1rte h ASP 125 N 0.94 0.15 0.38 0.57 3.32 -1.24 -3.38 116.42 117.16 1rte h ASP 125 Ca 0.25 -0.20 -0.32 0.00 0.02 0.00 0.00 57.03 56.79 1rte h ASP 125 Cb -0.10 -0.05 0.02 0.00 0.22 0.00 0.00 39.33 39.42 1rte h ASP 125 CO -0.05 1.16 -1.45 0.58 -1.72 0.00 0.00 179.24 177.75 1rte h VAL 126 N 0.03 1.29 -3.40 -1.35 2.07 -1.01 -3.38 116.25 110.50 1rte h VAL 126 Ca -0.15 -2.79 -0.48 0.00 0.82 0.00 0.00 66.70 64.10 1rte h VAL 126 Cb 1.91 2.96 0.04 0.00 -1.52 0.00 0.00 31.29 34.69 1rte h VAL 126 CO 0.13 0.84 0.09 0.42 0.02 0.00 0.00 177.57 179.07 1rte s THR 127 N -2.62 4.10 0.00 2.57 -4.23 -0.05 -4.61 115.64 110.80 1rte s THR 127 Ca -0.08 -0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.36 1rte s THR 127 Cb 0.05 -3.58 0.00 0.00 1.34 0.00 0.00 72.50 70.32 1rte s THR 127 CO 0.91 -0.54 0.00 -1.20 -0.54 0.00 0.00 174.62 173.25 1rte n SER 128 N -2.36 3.82 -0.38 3.99 7.64 -0.34 -4.91 113.62 121.07 1rte n SER 128 Ca 0.03 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.05 1rte n SER 128 Cb 0.57 0.14 0.61 0.00 -1.01 0.00 0.00 64.21 64.52 1rte n SER 128 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64