#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 0.69 -0.88 0.99 5.85 -2.03 -0.45 115.31 119.48 1rte h LEU 3 Ca 0.00 -0.10 0.13 0.00 0.84 0.00 0.00 57.88 58.75 1rte h LEU 3 Cb 0.00 -0.18 -0.09 0.00 0.37 0.00 0.00 40.66 40.77 1rte h LEU 3 CO 0.00 0.59 0.49 0.25 -0.34 0.00 0.00 178.44 179.43 1rte h LEU 4 N 0.74 0.66 -0.39 2.25 5.85 -2.04 0.34 115.31 122.73 1rte h LEU 4 Ca 0.19 0.07 -0.18 0.00 0.84 0.00 0.00 57.88 58.81 1rte h LEU 4 Cb 0.05 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1rte h LEU 4 CO -0.03 0.33 -0.57 -1.28 -0.34 0.00 0.00 178.44 176.55 1rte h SER 5 N 0.75 0.80 -0.38 1.25 0.87 -1.84 -2.68 113.55 112.33 1rte h SER 5 Ca 0.45 -0.44 -0.07 0.00 -1.23 0.00 0.00 61.79 60.50 1rte h SER 5 Cb 0.54 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 1rte h SER 5 CO -0.31 1.20 -0.06 0.03 -0.53 0.00 0.00 176.83 177.17 1rte h ARG 6 N 0.54 0.70 -0.29 2.24 3.08 -0.13 -2.92 114.38 117.59 1rte h ARG 6 Ca 0.00 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.77 1rte h ARG 6 Cb 1.15 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.14 1rte h ARG 6 CO 0.12 0.83 0.06 -0.07 -1.07 0.00 0.00 179.97 179.84 1rte h LEU 7 N 0.51 0.39 -1.66 3.04 3.38 -0.95 -1.33 115.31 118.69 1rte h LEU 7 Ca 0.10 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1rte h LEU 7 Cb 0.55 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1rte h LEU 7 CO 0.03 0.41 -0.15 0.03 0.09 0.00 0.00 178.44 178.85 1rte h ARG 8 N 0.42 0.00 -0.33 1.13 3.08 -1.29 -0.97 114.38 116.42 1rte h ARG 8 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1rte h ARG 8 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1rte h ARG 8 CO -0.00 0.15 0.00 1.63 -1.07 0.00 0.00 179.97 180.67 1rte n LYS 9 N -3.50 2.01 -2.08 0.04 5.02 -0.55 -4.93 118.16 114.17 1rte n LYS 9 Ca -0.01 -1.55 -0.16 0.00 -2.02 0.00 0.00 58.31 54.58 1rte n LYS 9 Cb 0.30 -1.40 -0.02 0.00 -0.02 0.00 0.00 35.03 33.89 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 0.76 -1.20 -2.51 1.97 1.74 -0.37 -5.00 116.66 112.05 1rte n ARG 10 Ca 0.16 0.83 -0.38 0.00 -0.77 0.00 0.00 57.85 57.70 1rte n ARG 10 Cb 0.41 -5.14 -0.04 0.00 -1.02 0.00 0.00 32.46 26.66 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 -4.41 4.27 0.71 5.56 2.02 -0.91 -5.03 118.70 120.91 1rte s GLU 11 Ca 0.00 1.60 -0.12 0.00 0.02 0.00 0.00 54.97 56.47 1rte s GLU 11 Cb 0.00 -2.71 0.02 0.00 0.10 0.00 0.00 34.13 31.54 1rte s GLU 11 CO 0.00 -0.07 1.08 -1.25 0.02 0.00 0.00 175.26 175.05 1rte s PRO 12 N -2.22 2.66 -0.07 0.39 0.04 -1.26 -4.55 135.00 129.99 1rte s PRO 12 Ca 0.54 1.16 -0.30 0.00 0.04 0.00 0.00 61.00 62.45 1rte s PRO 12 Cb -0.25 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 1rte s PRO 12 CO 0.32 -1.33 1.06 0.42 0.04 0.00 0.00 177.00 177.50 1rte s ILE 13 N -2.78 4.63 0.58 0.56 -1.09 -1.26 -4.99 121.20 116.86 1rte s ILE 13 Ca 0.62 1.91 -0.02 0.00 -2.23 0.00 0.00 60.65 60.93 1rte s ILE 13 Cb -0.17 -4.23 0.03 0.00 -1.58 0.00 0.00 42.46 36.52 1rte s ILE 13 CO 0.51 0.04 0.84 -0.94 -1.23 0.00 0.00 174.94 174.16 1rte s SER 14 N 1.17 5.26 0.26 3.58 1.04 -1.26 -4.93 113.70 118.81 1rte s SER 14 Ca 0.51 0.25 -0.05 0.00 0.48 0.00 0.00 55.95 57.15 1rte s SER 14 Cb -0.21 -1.13 0.30 0.00 0.10 0.00 0.00 66.02 65.08 1rte s SER 14 CO 0.21 -1.20 1.87 0.40 0.98 0.00 0.00 173.24 175.50 1rte h ILE 15 N -0.10 1.24 -0.60 -1.02 2.04 -1.85 -0.36 117.51 116.86 1rte h ILE 15 Ca -0.44 -0.63 0.11 0.00 1.00 0.00 0.00 64.86 64.91 1rte h ILE 15 Cb 1.29 0.17 -0.12 0.00 -0.74 0.00 0.00 36.82 37.43 1rte h ILE 15 CO 0.56 0.28 -0.27 0.22 0.00 0.00 0.00 178.15 178.94 1rte h TYR 16 N 1.13 -0.69 -0.32 1.37 3.20 -1.27 -1.83 116.97 118.57 1rte h TYR 16 Ca 0.28 0.07 -0.01 0.00 3.14 0.00 0.00 58.73 62.20 1rte h TYR 16 Cb 0.06 0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 1rte h TYR 16 CO 0.01 -0.34 0.14 -0.44 -1.64 0.00 0.00 178.16 175.89 1rte h ASP 17 N -0.11 0.42 -0.97 -2.11 3.45 -1.61 0.14 116.42 115.63 1rte h ASP 17 Ca 0.26 -0.14 0.15 0.00 0.43 0.00 0.00 57.03 57.73 1rte h ASP 17 Cb 0.53 -0.11 -0.09 0.00 -0.56 0.00 0.00 39.33 39.10 1rte h ASP 17 CO -0.67 0.44 0.61 0.11 -1.57 0.00 0.00 179.24 178.16 1rte h LYS 18 N 0.37 0.80 -0.01 3.56 1.57 -0.33 -2.12 116.57 120.41 1rte h LYS 18 Ca 0.11 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1rte h LYS 18 Cb 0.14 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1rte h LYS 18 CO -0.01 0.53 -0.25 0.44 -0.57 0.00 0.00 179.45 179.59 1rte n ILE 19 N -4.63 0.00 0.00 1.86 -5.35 -0.76 -4.92 119.36 105.56 1rte n ILE 19 Ca 0.20 -0.20 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1rte n ILE 19 Cb 0.46 0.66 0.00 0.00 -1.74 0.00 0.00 39.64 39.02 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 1.33 1.36 7.00 3.28 0.00 -0.80 -4.74 105.19 112.62 1rte n GLY 20 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.02 -0.79 0.22 -0.02 0.00 0.46 -3.52 105.19 100.53 1rte n GLY 21 Ca 0.00 -1.17 -0.04 0.00 0.00 0.00 0.00 46.02 44.81 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 0.57 -0.51 1.61 2.76 -1.97 -2.09 115.15 115.52 1rte h HIS 22 Ca 0.00 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 1rte h HIS 22 Cb 0.00 -0.18 -0.03 0.00 1.55 0.00 0.00 27.41 28.76 1rte h HIS 22 CO 0.00 0.30 0.22 0.93 -1.30 0.00 0.00 177.93 178.08 1rte h GLU 23 N 0.60 0.73 -0.28 5.26 5.08 -1.99 -1.03 114.58 122.95 1rte h GLU 23 Ca 0.24 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 1rte h GLU 23 Cb 0.10 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1rte h GLU 23 CO -0.14 0.59 -0.07 0.00 -1.00 0.00 0.00 179.01 178.39 1rte h ALA 24 N 1.52 0.38 -0.66 3.43 0.00 -1.43 -3.03 119.26 119.47 1rte h ALA 24 Ca 0.18 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1rte h ALA 24 Cb 0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1rte h ALA 24 CO -0.02 0.20 0.18 0.82 0.00 0.00 0.00 179.25 180.43 1rte h ILE 25 N 0.30 1.25 -0.42 0.00 2.04 -1.08 -1.07 117.51 118.52 1rte h ILE 25 Ca 0.07 -0.89 0.09 0.00 1.00 0.00 0.00 64.86 65.13 1rte h ILE 25 Cb 0.55 0.54 -0.09 0.00 -0.74 0.00 0.00 36.82 37.08 1rte h ILE 25 CO 0.03 0.34 -0.25 -0.33 0.00 0.00 0.00 178.15 177.94 1rte h GLU 26 N 0.99 -0.17 -0.70 2.37 5.08 -1.13 -0.62 114.58 120.41 1rte h GLU 26 Ca 0.21 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 1rte h GLU 26 Cb 0.32 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1rte h GLU 26 CO -0.00 -0.11 0.15 0.28 -1.00 0.00 0.00 179.01 178.32 1rte h VAL 27 N -0.18 1.26 -0.39 3.13 2.07 -1.35 -1.70 116.25 119.10 1rte h VAL 27 Ca 0.20 -1.00 -0.10 0.00 0.82 0.00 0.00 66.70 66.62 1rte h VAL 27 Cb 0.49 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1rte h VAL 27 CO -0.52 0.38 -0.13 0.58 0.02 0.00 0.00 177.57 177.90 1rte h VAL 28 N 1.06 1.28 -0.49 2.57 2.07 -0.70 -3.06 116.25 118.98 1rte h VAL 28 Ca 0.22 -1.24 -0.09 0.00 0.82 0.00 0.00 66.70 66.41 1rte h VAL 28 Cb 0.40 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1rte h VAL 28 CO 0.01 0.41 -0.05 0.58 0.02 0.00 0.00 177.57 178.54 1rte h VAL 29 N 0.57 1.27 -0.84 2.57 2.07 -1.00 0.37 116.25 121.27 1rte h VAL 29 Ca 0.09 -1.16 0.08 0.00 0.82 0.00 0.00 66.70 66.53 1rte h VAL 29 Cb 0.66 1.02 -0.11 0.00 -1.52 0.00 0.00 31.29 31.34 1rte h VAL 29 CO 0.05 0.40 -0.58 -0.33 0.02 0.00 0.00 177.57 177.13 1rte h GLU 30 N 0.76 -0.11 -0.51 1.57 4.39 -1.31 -2.16 114.58 117.21 1rte h GLU 30 Ca 0.13 0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.73 1rte h GLU 30 Cb 0.59 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 1rte h GLU 30 CO 0.04 -0.07 -0.12 0.22 -1.16 0.00 0.00 179.01 177.92 1rte h ASP 31 N -0.11 0.99 -0.54 1.42 3.58 -1.35 -2.96 116.42 117.45 1rte h ASP 31 Ca 0.14 -0.36 0.10 0.00 0.42 0.00 0.00 57.03 57.34 1rte h ASP 31 Cb 0.47 -0.27 -0.11 0.00 1.72 0.00 0.00 39.33 41.14 1rte h ASP 31 CO -0.85 1.12 -0.27 0.15 -2.88 0.00 0.00 179.24 176.52 1rte h PHE 32 N 0.85 -0.71 0.00 0.28 3.57 -0.04 -1.91 116.94 118.99 1rte h PHE 32 Ca 0.13 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 1rte h PHE 32 Cb 0.68 0.39 -0.00 0.00 2.79 0.00 0.00 35.95 39.81 1rte h PHE 32 CO 0.05 -0.34 -0.12 1.88 -2.23 0.00 0.00 178.31 177.54 1rte h TYR 33 N -0.13 0.00 -0.08 0.41 -1.99 -1.23 -0.70 116.97 113.24 1rte h TYR 33 Ca 0.24 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.96 1rte h TYR 33 Cb 0.51 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.24 1rte h TYR 33 CO -0.56 0.12 0.01 0.28 -0.00 0.00 0.00 178.16 178.01 1rte h VAL 34 N 0.00 1.23 -0.29 -2.88 2.07 -1.29 -1.48 116.25 113.60 1rte h VAL 34 Ca -0.00 -0.70 0.04 0.00 0.82 0.00 0.00 66.70 66.86 1rte h VAL 34 Cb 0.67 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 1rte h VAL 34 CO 0.02 0.20 0.08 0.03 0.02 0.00 0.00 177.57 177.91 1rte h ARG 35 N -0.11 0.19 0.64 1.57 3.08 -0.76 -2.22 114.38 116.77 1rte h ARG 35 Ca 0.02 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1rte h ARG 35 Cb 0.30 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1rte h ARG 35 CO 0.00 0.13 -0.32 0.28 -1.07 0.00 0.00 179.97 178.99 1rte h VAL 36 N 0.20 0.35 0.00 2.04 2.07 -1.09 -2.81 116.25 117.01 1rte h VAL 36 Ca 0.13 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 1rte h VAL 36 Cb 0.12 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1rte h VAL 36 CO -0.15 0.00 -0.07 -0.07 0.02 0.00 0.00 177.57 177.30 1rte h LEU 37 N -0.87 0.00 -0.75 2.57 3.38 -1.24 -0.23 115.31 118.17 1rte h LEU 37 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1rte h LEU 37 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1rte h LEU 37 CO 0.13 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.73 1rte n ALA 38 N -2.40 2.55 -2.52 1.53 0.00 -0.84 -4.58 120.51 114.25 1rte n ALA 38 Ca -0.03 -0.39 -0.43 0.00 0.00 0.00 0.00 53.44 52.59 1rte n ALA 38 Cb 0.15 -1.15 -0.10 0.00 0.00 0.00 0.00 19.45 18.36 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 -1.55 6.12 0.63 0.00 3.68 -0.10 -4.94 116.67 120.52 1rte s ASP 39 Ca 0.30 -0.94 0.41 0.00 2.13 0.00 0.00 52.55 54.45 1rte s ASP 39 Cb 0.16 -2.17 2.13 0.00 -1.45 0.00 0.00 42.92 41.59 1rte s ASP 39 CO 0.24 -0.49 2.27 0.44 0.13 0.00 0.00 175.17 177.76 1rte h ASP 40 N 8.66 0.00 0.84 -0.34 5.19 -1.84 0.14 116.42 129.07 1rte h ASP 40 Ca -0.27 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.14 1rte h ASP 40 Cb 1.12 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.63 1rte h ASP 40 CO 0.76 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.88 1rte n GLN 41 N -3.12 0.00 0.00 3.56 1.13 -1.26 -4.17 117.38 113.52 1rte n GLN 41 Ca -0.02 0.08 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 1rte n GLN 41 Cb 0.13 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.98 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 -1.51 0.00 -0.05 1.08 4.77 0.38 -4.90 117.00 116.77 1rte n LEU 42 Ca 0.06 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.08 1rte n LEU 42 Cb 0.29 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 41.77 1rte n LEU 42 CO 0.23 0.00 1.18 -1.28 -1.33 0.00 0.00 177.39 176.19 1rte h SER 43 N 0.00 0.54 0.55 -1.43 0.87 -1.38 -2.54 113.55 110.17 1rte h SER 43 Ca 0.00 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.50 1rte h SER 43 Cb 0.52 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 1rte h SER 43 CO 0.00 0.38 -0.23 0.00 -0.53 0.00 0.00 176.83 176.45 1rte h ALA 44 N 1.70 1.21 -0.27 6.23 0.00 -1.87 -2.56 119.26 123.70 1rte h ALA 44 Ca 0.19 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1rte h ALA 44 Cb 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1rte h ALA 44 CO -0.05 0.29 0.21 0.74 0.00 0.00 0.00 179.25 180.44 1rte h PHE 45 N 0.00 0.00 -0.71 0.00 -1.00 -1.83 -1.35 116.94 112.06 1rte h PHE 45 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1rte h PHE 45 Cb 0.57 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.13 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 -4.28 0.97 -1.66 -0.55 3.01 -0.96 -4.90 117.46 109.09 1rte n PHE 46 Ca 0.04 -0.48 -0.49 0.00 1.01 0.00 0.00 57.45 57.53 1rte n PHE 46 Cb 0.37 -0.01 -0.05 0.00 -0.01 0.00 0.00 39.48 39.77 1rte n PHE 46 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1rte n SER 47 N 1.55 2.82 0.00 4.37 2.88 -0.51 -1.26 113.62 123.46 1rte n SER 47 Ca 0.24 1.06 0.00 0.00 -1.33 0.00 0.00 58.87 58.84 1rte n SER 47 Cb 0.61 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 1rte n SER 47 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rte n GLY 48 N 3.54 1.73 3.75 0.46 0.00 -1.26 -5.02 105.19 108.39 1rte n GLY 48 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.88 3.73 -0.86 2.61 2.01 -0.39 -4.98 115.64 114.89 1rte s THR 49 Ca 0.00 1.74 -0.25 0.00 0.31 0.00 0.00 61.69 63.49 1rte s THR 49 Cb 0.00 -4.11 -0.00 0.00 0.01 0.00 0.00 72.50 68.40 1rte s THR 49 CO 0.00 0.41 1.67 0.21 -0.69 0.00 0.00 174.62 176.22 1rte s ASN 50 N -0.97 5.74 0.24 3.53 3.84 -1.26 -4.91 114.94 121.15 1rte s ASN 50 Ca 0.43 -0.68 -0.06 0.00 0.21 0.00 0.00 52.86 52.77 1rte s ASN 50 Cb -0.29 -2.56 0.25 0.00 -0.55 0.00 0.00 41.25 38.10 1rte s ASN 50 CO 0.37 -2.15 1.84 0.24 -2.79 0.00 0.00 177.10 174.60 1rte h MET 51 N 11.33 1.15 -0.87 0.43 2.86 -1.95 -1.44 114.93 126.43 1rte h MET 51 Ca -0.00 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 1rte h MET 51 Cb 1.04 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 32.46 1rte h MET 51 CO 1.29 0.89 0.44 1.03 1.06 0.00 0.00 176.91 181.62 1rte h SER 52 N 1.14 1.12 -0.15 1.22 0.87 -1.99 0.88 113.55 116.64 1rte h SER 52 Ca 0.27 -0.12 -0.11 0.00 -1.23 0.00 0.00 61.79 60.60 1rte h SER 52 Cb 0.12 -0.29 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 1rte h SER 52 CO -0.03 0.93 -0.35 -0.09 -0.53 0.00 0.00 176.83 176.75 1rte h ARG 53 N 1.24 0.51 -0.75 2.24 2.43 -1.89 -2.57 114.38 115.57 1rte h ARG 53 Ca 0.30 -0.34 0.05 0.00 -0.81 0.00 0.00 59.98 59.18 1rte h ARG 53 Cb 0.08 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.63 1rte h ARG 53 CO -0.04 0.96 0.45 1.25 -1.51 0.00 0.00 179.97 181.08 1rte h LEU 54 N 0.13 0.71 -0.48 3.80 5.85 -1.00 -2.08 115.31 122.25 1rte h LEU 54 Ca -0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1rte h LEU 54 Cb 0.96 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1rte h LEU 54 CO 0.08 0.46 0.30 0.11 -0.34 0.00 0.00 178.44 179.05 1rte h LYS 55 N 0.84 0.64 -0.73 1.25 1.57 -0.77 0.66 116.57 120.03 1rte h LYS 55 Ca 0.33 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 59.12 1rte h LYS 55 Cb 0.14 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 1rte h LYS 55 CO -0.16 0.45 0.42 0.78 -0.57 0.00 0.00 179.45 180.37 1rte h GLY 56 N 0.64 1.09 1.18 3.86 0.00 -1.14 0.11 103.07 108.82 1rte h GLY 56 Ca 0.17 -0.29 -0.12 0.00 0.00 0.00 0.00 47.33 47.09 1rte h GLY 56 CO -0.03 0.17 -0.18 0.50 0.00 0.00 0.00 176.54 177.00 1rte h LYS 57 N 0.75 0.94 -0.43 4.80 1.79 -0.65 -1.84 116.57 121.94 1rte h LYS 57 Ca 0.33 -0.37 -0.15 0.00 -2.18 0.00 0.00 60.65 58.28 1rte h LYS 57 Cb 0.22 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 1rte h LYS 57 CO -0.20 1.04 -0.31 0.37 -1.08 0.00 0.00 179.45 179.26 1rte h GLN 58 N 0.82 0.96 -0.57 3.15 5.75 -0.49 0.25 115.11 124.99 1rte h GLN 58 Ca 0.12 -0.46 0.05 0.00 -0.15 0.00 0.00 58.65 58.20 1rte h GLN 58 Cb 0.73 -0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.23 1rte h GLN 58 CO 0.06 1.13 0.31 0.28 -2.65 0.00 0.00 178.83 177.96 1rte h VAL 59 N 0.80 0.98 -0.46 2.39 2.07 -0.67 0.34 116.25 121.70 1rte h VAL 59 Ca 0.08 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1rte h VAL 59 Cb 0.90 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1rte h VAL 59 CO 0.08 0.11 0.19 -0.33 0.02 0.00 0.00 177.57 177.64 1rte h GLU 60 N 0.59 0.68 -0.01 1.57 5.08 -0.83 -0.91 114.58 120.74 1rte h GLU 60 Ca 0.25 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1rte h GLU 60 Cb 0.13 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1rte h GLU 60 CO -0.16 0.61 0.00 0.35 -1.00 0.00 0.00 179.01 178.81 1rte h PHE 61 N 0.59 0.03 -0.38 4.33 3.57 -0.00 -1.15 116.94 123.93 1rte h PHE 61 Ca 0.15 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 1rte h PHE 61 Cb 0.18 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1rte h PHE 61 CO -0.00 0.27 0.12 0.74 -2.23 0.00 0.00 178.31 177.22 1rte h PHE 62 N -0.23 0.61 -0.18 0.41 0.04 -0.91 -0.13 116.94 116.55 1rte h PHE 62 Ca 0.00 -0.06 0.05 0.00 2.80 0.00 0.00 57.97 60.77 1rte h PHE 62 Cb 0.26 -0.18 -0.06 0.00 2.20 0.00 0.00 35.95 38.17 1rte h PHE 62 CO 0.01 0.57 -0.22 0.00 -0.60 0.00 0.00 178.31 178.08 1rte h ALA 63 N 0.97 -0.14 -0.28 2.45 0.00 -1.13 0.20 119.26 121.33 1rte h ALA 63 Ca 0.12 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1rte h ALA 63 Cb 0.25 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1rte h ALA 63 CO -0.00 -0.66 0.17 0.00 0.00 0.00 0.00 179.25 178.75 1rte h ALA 64 N 0.77 0.36 0.00 0.00 0.00 -1.02 0.43 119.26 119.80 1rte h ALA 64 Ca 0.11 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1rte h ALA 64 Cb 0.42 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1rte h ALA 64 CO -0.32 -0.13 -0.20 0.00 0.00 0.00 0.00 179.25 178.60 1rte h ALA 65 N 1.05 1.63 -0.31 0.00 0.00 -0.53 -1.65 119.26 119.44 1rte h ALA 65 Ca 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1rte h ALA 65 Cb 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1rte h ALA 65 CO -0.02 0.24 0.00 1.28 0.00 0.00 0.00 179.25 180.76 1rte n LEU 66 N -4.23 2.47 0.00 0.00 4.77 0.64 -4.90 117.00 115.75 1rte n LEU 66 Ca -0.02 -1.24 0.00 0.00 -0.03 0.00 0.00 56.01 54.71 1rte n LEU 66 Cb 0.26 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1rte n LEU 66 CO 0.36 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1rte n GLY 67 N 0.72 0.62 3.77 -0.72 0.00 -0.62 -0.76 105.19 108.20 1rte n GLY 67 Ca 0.12 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.61 1.61 0.26 -0.02 0.00 0.13 -4.82 107.32 101.88 1rte s GLY 68 Ca 0.00 -0.72 0.24 0.00 0.00 0.00 0.00 44.72 44.24 1rte s GLY 68 CO 0.00 -0.06 1.52 -0.56 0.00 0.00 0.00 173.10 174.00 1rte h PRO 69 N -1.74 0.00 -5.98 2.90 0.13 -1.94 -3.44 132.00 121.93 1rte h PRO 69 Ca -0.49 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.97 1rte h PRO 69 Cb 1.31 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.27 1rte h PRO 69 CO 0.52 0.00 -0.65 -1.21 -0.23 0.00 0.00 178.00 176.43 1rte s GLU 70 N -3.19 2.95 0.58 0.86 0.41 -1.26 -5.10 118.70 113.96 1rte s GLU 70 Ca 0.07 -0.47 -0.19 0.00 -0.41 0.00 0.00 54.97 53.98 1rte s GLU 70 Cb 0.10 -2.73 -0.04 0.00 -1.78 0.00 0.00 34.13 29.68 1rte s GLU 70 CO 0.67 0.65 1.18 -2.14 -0.49 0.00 0.00 175.26 175.13 1rte s PRO 71 N -0.75 3.06 0.18 0.39 0.02 -1.26 -4.35 135.00 132.29 1rte s PRO 71 Ca 0.12 1.73 -0.30 0.00 0.02 0.00 0.00 61.00 62.57 1rte s PRO 71 Cb -0.11 -1.95 -0.08 0.00 0.02 0.00 0.00 34.50 32.37 1rte s PRO 71 CO 0.02 -1.11 1.20 -0.47 -0.33 0.00 0.00 177.00 176.31 1rte s TYR 72 N -1.70 3.42 -0.71 6.54 5.04 -1.26 -4.95 117.35 123.72 1rte s TYR 72 Ca 0.75 1.41 0.07 0.00 -2.44 0.00 0.00 57.07 56.86 1rte s TYR 72 Cb -0.28 -3.44 0.12 0.00 0.35 0.00 0.00 41.96 38.72 1rte s TYR 72 CO 0.32 -1.23 0.93 0.25 -1.34 0.00 0.00 175.55 174.48 1rte n THR 73 N 2.53 0.49 -1.29 4.34 -2.24 -1.26 -5.03 114.28 111.82 1rte n THR 73 Ca 0.04 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1rte n THR 73 Cb 0.45 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 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 0.26 0.01 3.84 3.38 0.00 -1.26 -5.06 105.19 106.36 1rte n GLY 74 Ca 0.06 -1.80 -0.32 0.00 0.00 0.00 0.00 46.02 43.95 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 -3.32 3.22 0.58 4.61 0.00 -1.26 -5.04 121.76 120.56 1rte s ALA 75 Ca 0.00 0.11 -0.17 0.00 0.00 0.00 0.00 51.96 51.90 1rte s ALA 75 Cb 0.00 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 1rte s ALA 75 CO 0.00 0.16 1.10 -1.25 0.00 0.00 0.00 175.76 175.78 1rte s PRO 76 N -3.29 3.20 0.21 0.00 0.04 -1.26 -4.85 135.00 129.06 1rte s PRO 76 Ca 0.56 1.45 -0.10 0.00 0.04 0.00 0.00 61.00 62.95 1rte s PRO 76 Cb -0.10 -2.00 0.19 0.00 0.04 0.00 0.00 34.50 32.63 1rte s PRO 76 CO 0.20 -0.94 1.85 0.52 0.04 0.00 0.00 177.00 178.67 1rte h MET 77 N 0.72 0.83 0.55 4.56 2.86 -1.96 -1.96 114.93 120.53 1rte h MET 77 Ca -0.48 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.08 1rte h MET 77 Cb 1.25 -0.19 0.01 0.00 0.06 0.00 0.00 31.60 32.72 1rte h MET 77 CO 0.56 0.55 -0.27 -0.22 1.06 0.00 0.00 176.91 178.60 1rte h LYS 78 N 0.86 -0.72 -0.49 1.72 3.64 -1.93 -2.19 116.57 117.46 1rte h LYS 78 Ca 0.28 0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.80 1rte h LYS 78 Cb 0.02 0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 31.94 1rte h LYS 78 CO -0.11 -0.44 0.07 0.37 -2.27 0.00 0.00 179.45 177.07 1rte h GLN 79 N -0.84 0.20 -0.81 1.90 4.15 -1.84 -0.78 115.11 117.08 1rte h GLN 79 Ca -0.08 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.30 1rte h GLN 79 Cb 0.61 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.22 1rte h GLN 79 CO 0.12 0.13 0.36 0.28 -1.93 0.00 0.00 178.83 177.80 1rte h VAL 80 N 0.20 1.26 0.00 2.39 2.07 -1.28 -3.09 116.25 117.79 1rte h VAL 80 Ca 0.25 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1rte h VAL 80 Cb 0.34 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1rte h VAL 80 CO -0.34 0.32 -0.90 1.41 0.02 0.00 0.00 177.57 178.07 1rte n HIS 81 N -4.30 0.17 -1.69 1.57 8.25 -0.83 -4.97 115.22 113.41 1rte n HIS 81 Ca 0.08 0.05 -0.42 0.00 -0.26 0.00 0.00 57.72 57.17 1rte n HIS 81 Cb 0.16 -0.33 -0.00 0.00 1.12 0.00 0.00 29.99 30.94 1rte n HIS 81 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1rte n GLN 82 N -1.79 2.01 -1.05 -0.41 7.27 -0.32 -3.05 117.38 120.04 1rte n GLN 82 Ca 0.03 0.71 -0.02 0.00 0.07 0.00 0.00 57.00 57.79 1rte n GLN 82 Cb 0.40 -2.31 -0.01 0.00 2.41 0.00 0.00 30.24 30.73 1rte n GLN 82 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1rte n GLY 83 N 0.81 0.52 0.24 1.69 0.00 -1.26 -4.89 105.19 102.29 1rte n GLY 83 Ca 0.06 -0.30 0.08 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.35 1.50 -1.66 1.61 1.74 -1.17 -5.00 116.66 111.34 1rte n ARG 84 Ca -0.02 -0.51 -0.13 0.00 -0.77 0.00 0.00 57.85 56.42 1rte n ARG 84 Cb 0.13 -1.32 -0.04 0.00 -1.02 0.00 0.00 32.46 30.21 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 1.30 0.91 3.70 -0.13 0.00 -1.26 -4.97 105.19 104.74 1rte n GLY 85 Ca 0.06 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.55 3.18 0.42 -0.61 1.01 -1.26 -5.01 121.20 116.39 1rte s ILE 86 Ca 0.00 0.69 0.08 0.00 0.00 0.00 0.00 60.65 61.42 1rte s ILE 86 Cb 0.00 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 39.03 1rte s ILE 86 CO 0.00 0.01 0.53 0.42 0.00 0.00 0.00 174.94 175.90 1rte s THR 87 N 2.20 2.91 0.43 2.92 -4.23 -1.26 -4.42 115.64 114.19 1rte s THR 87 Ca 0.70 -1.08 0.09 0.00 -1.18 0.00 0.00 61.69 60.22 1rte s THR 87 Cb -0.38 -2.99 0.25 0.00 1.34 0.00 0.00 72.50 70.72 1rte s THR 87 CO 0.30 0.00 2.06 0.24 -0.54 0.00 0.00 174.62 176.68 1rte h MET 88 N 0.72 0.39 -0.03 3.99 2.86 -1.95 -0.79 114.93 120.11 1rte h MET 88 Ca -0.40 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.22 1rte h MET 88 Cb 1.28 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 1rte h MET 88 CO 0.48 0.29 -0.04 1.25 1.06 0.00 0.00 176.91 179.95 1rte h HIS 89 N 0.40 -0.09 -0.85 -0.22 -0.00 -1.99 0.90 115.15 113.30 1rte h HIS 89 Ca 0.10 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.45 1rte h HIS 89 Cb 0.01 0.05 -0.04 0.00 -0.00 0.00 0.00 27.41 27.43 1rte h HIS 89 CO 0.00 -0.06 0.43 0.45 -0.00 0.00 0.00 177.93 178.75 1rte h HIS 90 N -0.05 1.20 -0.51 5.26 -0.00 -1.73 -2.22 115.15 117.11 1rte h HIS 90 Ca 0.03 -0.05 -0.10 0.00 -0.00 0.00 0.00 60.37 60.25 1rte h HIS 90 Cb 0.09 -0.38 -0.02 0.00 -0.00 0.00 0.00 27.41 27.11 1rte h HIS 90 CO -0.13 0.85 -0.10 0.35 -0.00 0.00 0.00 177.93 178.91 1rte h PHE 91 N 1.20 1.03 -0.17 2.45 3.57 -0.68 -1.85 116.94 122.50 1rte h PHE 91 Ca 0.30 -0.20 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1rte h PHE 91 Cb 0.08 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1rte h PHE 91 CO 0.01 0.97 0.06 0.77 -2.23 0.00 0.00 178.31 177.89 1rte h SER 92 N 0.84 0.24 -0.39 0.41 0.02 -0.67 -0.43 113.55 113.55 1rte h SER 92 Ca 0.14 -0.18 0.08 0.00 -0.84 0.00 0.00 61.79 60.98 1rte h SER 92 Cb 0.63 -0.06 -0.07 0.00 0.14 0.00 0.00 62.40 63.04 1rte h SER 92 CO 0.04 0.36 -0.04 -0.07 -1.14 0.00 0.00 176.83 175.98 1rte h LEU 93 N 0.10 -0.24 -0.39 5.07 3.38 -1.31 0.16 115.31 122.08 1rte h LEU 93 Ca 0.05 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1rte h LEU 93 Cb 0.20 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1rte h LEU 93 CO -0.00 -0.08 0.23 0.58 0.09 0.00 0.00 178.44 179.26 1rte h VAL 94 N 0.06 1.14 -1.00 1.22 2.07 -1.09 0.03 116.25 118.68 1rte h VAL 94 Ca 0.19 -0.33 0.09 0.00 0.82 0.00 0.00 66.70 67.48 1rte h VAL 94 Cb 0.28 0.65 -0.08 0.00 -1.52 0.00 0.00 31.29 30.63 1rte h VAL 94 CO -0.35 0.14 0.64 0.00 0.02 0.00 0.00 177.57 178.01 1rte h ALA 95 N 1.09 1.45 -0.71 1.67 0.00 -0.71 -1.62 119.26 120.43 1rte h ALA 95 Ca 0.14 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1rte h ALA 95 Cb 0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1rte h ALA 95 CO -0.02 0.34 0.36 0.78 0.00 0.00 0.00 179.25 180.71 1rte h GLY 96 N 1.09 1.09 1.86 0.00 0.00 0.11 -0.37 103.07 106.84 1rte h GLY 96 Ca 0.46 -0.52 -0.11 0.00 0.00 0.00 0.00 47.33 47.16 1rte h GLY 96 CO -0.22 0.50 -0.48 0.45 0.00 0.00 0.00 176.54 176.79 1rte h HIS 97 N 0.99 0.18 -0.14 5.60 3.86 -0.14 -0.05 115.15 125.45 1rte h HIS 97 Ca 0.25 -0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 59.37 1rte h HIS 97 Cb 0.09 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.51 1rte h HIS 97 CO 0.00 0.61 -0.04 1.25 0.86 0.00 0.00 177.93 180.61 1rte h LEU 98 N 0.12 0.28 -1.16 2.43 5.85 -1.01 -0.58 115.31 121.24 1rte h LEU 98 Ca 0.01 -0.37 0.05 0.00 0.84 0.00 0.00 57.88 58.40 1rte h LEU 98 Cb 0.89 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 1rte h LEU 98 CO 0.07 0.59 0.58 0.00 -0.34 0.00 0.00 178.44 179.34 1rte h ALA 99 N 0.70 1.48 -0.37 1.25 0.00 -0.68 0.35 119.26 121.99 1rte h ALA 99 Ca 0.04 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1rte h ALA 99 Cb 0.47 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1rte h ALA 99 CO 0.01 0.42 -0.34 -0.44 0.00 0.00 0.00 179.25 178.91 1rte h ASP 100 N 1.07 0.88 -0.42 0.00 3.32 -0.80 -0.24 116.42 120.22 1rte h ASP 100 Ca 0.36 -0.38 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 1rte h ASP 100 Cb 0.09 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1rte h ASP 100 CO -0.12 1.13 -0.14 0.00 -1.72 0.00 0.00 179.24 178.40 1rte h ALA 101 N 0.91 0.85 -0.39 3.45 0.00 -0.31 -0.99 119.26 122.79 1rte h ALA 101 Ca 0.07 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1rte h ALA 101 Cb 0.90 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1rte h ALA 101 CO 0.08 0.64 0.09 -0.07 0.00 0.00 0.00 179.25 180.00 1rte h LEU 102 N 0.80 0.60 -0.23 0.00 3.38 -0.76 -2.32 115.31 116.77 1rte h LEU 102 Ca 0.12 -0.23 0.05 0.00 0.09 0.00 0.00 57.88 57.90 1rte h LEU 102 Cb 0.67 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1rte h LEU 102 CO 0.05 0.68 -0.05 0.74 0.09 0.00 0.00 178.44 179.95 1rte h THR 103 N 0.49 0.78 0.00 0.22 2.02 -0.81 -2.27 112.91 113.34 1rte h THR 103 Ca 0.12 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1rte h THR 103 Cb 0.31 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1rte h THR 103 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 1rte h ALA 104 N 1.23 1.00 -0.01 6.16 0.00 -0.99 -1.83 119.26 124.81 1rte h ALA 104 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1rte h ALA 104 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1rte h ALA 104 CO -0.23 0.00 -0.13 0.00 0.00 0.00 0.00 179.25 178.89 1rte n ALA 105 N -2.06 2.81 -0.41 0.00 0.00 -0.89 -4.94 120.51 115.03 1rte n ALA 105 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1rte n ALA 105 Cb 0.19 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 1.27 0.78 3.71 0.00 0.00 -0.69 -5.04 105.19 105.21 1rte n GLY 106 Ca 0.15 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 3.95 0.14 1.61 1.01 -0.90 -4.95 120.40 119.26 1rte s VAL 107 Ca 0.00 1.38 -0.34 0.00 0.00 0.00 0.00 61.98 63.02 1rte s VAL 107 Cb 0.00 -3.88 -0.16 0.00 0.00 0.00 0.00 36.38 32.34 1rte s VAL 107 CO 0.00 0.08 1.31 -2.65 0.00 0.00 0.00 175.10 173.84 1rte n PRO 108 N 4.31 1.35 -0.34 2.72 -0.02 -1.26 -4.63 135.00 137.12 1rte n PRO 108 Ca 0.10 0.48 0.21 0.00 -2.02 0.00 0.00 63.50 62.27 1rte n PRO 108 Cb 0.46 -2.09 0.39 0.00 -0.02 0.00 0.00 33.50 32.24 1rte n PRO 108 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1rte h SER 109 N 4.25 -0.22 0.18 2.55 0.02 -1.98 0.22 113.55 118.57 1rte h SER 109 Ca -0.45 0.28 -0.08 0.00 -0.84 0.00 0.00 61.79 60.70 1rte h SER 109 Cb 1.32 0.42 -0.01 0.00 0.14 0.00 0.00 62.40 64.27 1rte h SER 109 CO 0.76 -0.39 -0.28 -0.33 -1.14 0.00 0.00 176.83 175.45 1rte h GLU 110 N 0.00 0.18 0.00 3.45 3.07 -2.00 -0.98 114.58 118.30 1rte h GLU 110 Ca 0.69 -0.06 -0.19 0.00 -0.50 0.00 0.00 59.36 59.30 1rte h GLU 110 Cb 1.58 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 29.45 1rte h GLU 110 CO -0.88 0.45 -0.98 1.15 -1.40 0.00 0.00 179.01 177.35 1rte h THR 111 N 0.16 1.30 -0.50 1.13 2.02 -0.96 -2.14 112.91 113.92 1rte h THR 111 Ca 0.02 -2.92 -0.05 0.00 0.77 0.00 0.00 66.41 64.24 1rte h THR 111 Cb 0.59 2.63 -0.02 0.00 -1.74 0.00 0.00 68.15 69.61 1rte h THR 111 CO 0.04 0.74 0.14 0.40 0.37 0.00 0.00 175.52 177.21 1rte h ILE 112 N 0.00 1.24 -0.48 3.11 2.04 -0.68 -0.60 117.51 122.14 1rte h ILE 112 Ca -0.05 -0.82 0.03 0.00 1.00 0.00 0.00 64.86 65.02 1rte h ILE 112 Cb 1.68 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 38.54 1rte h ILE 112 CO 0.10 0.30 0.26 0.74 0.00 0.00 0.00 178.15 179.55 1rte h THR 113 N 0.69 1.01 -0.58 -0.27 2.02 -1.14 -0.97 112.91 113.68 1rte h THR 113 Ca 0.16 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1rte h THR 113 Cb 0.31 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 1rte h THR 113 CO -0.00 0.10 0.37 -0.08 0.37 0.00 0.00 175.52 176.27 1rte h GLU 114 N 0.52 0.77 -0.74 6.66 4.81 -1.12 -1.98 114.58 123.51 1rte h GLU 114 Ca 0.20 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.42 1rte h GLU 114 Cb 0.06 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.22 1rte h GLU 114 CO -0.11 0.53 0.44 0.82 -0.73 0.00 0.00 179.01 179.96 1rte h ILE 115 N 0.78 1.04 -0.02 2.32 2.04 -0.63 -2.52 117.51 120.52 1rte h ILE 115 Ca 0.21 -0.29 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 1rte h ILE 115 Cb -0.06 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.14 1rte h ILE 115 CO -0.04 0.15 -0.28 -0.07 0.00 0.00 0.00 178.15 177.90 1rte h LEU 116 N 0.84 0.03 -1.69 1.44 3.38 -0.58 0.45 115.31 119.19 1rte h LEU 116 Ca 0.31 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 1rte h LEU 116 Cb 0.11 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1rte h LEU 116 CO -0.15 0.32 -0.16 1.23 0.09 0.00 0.00 178.44 179.77 1rte h GLY 117 N 0.89 0.00 1.16 0.83 0.00 -0.95 0.59 103.07 105.59 1rte h GLY 117 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 1rte h GLY 117 CO 0.04 0.00 -1.58 -2.08 0.00 0.00 0.00 176.54 172.92 1rte h VAL 118 N 0.00 1.14 0.15 4.60 2.07 -0.74 -3.38 116.25 120.09 1rte h VAL 118 Ca -0.00 -2.68 -0.29 0.00 0.82 0.00 0.00 66.70 64.55 1rte h VAL 118 Cb 0.45 2.87 0.01 0.00 -1.52 0.00 0.00 31.29 33.10 1rte h VAL 118 CO 0.02 0.84 -1.34 0.40 0.02 0.00 0.00 177.57 177.51 1rte h ILE 119 N 0.11 1.40 -0.88 4.57 1.08 -0.68 -3.39 117.51 119.72 1rte h ILE 119 Ca -0.28 -2.95 0.04 0.00 -0.39 0.00 0.00 64.86 61.28 1rte h ILE 119 Cb 2.10 2.94 -0.05 0.00 -3.07 0.00 0.00 36.82 38.73 1rte h ILE 119 CO 0.21 0.87 0.57 0.00 -0.69 0.00 0.00 178.15 179.10 1rte h ALA 120 N 0.48 1.17 -0.21 1.87 0.00 -0.00 -1.22 119.26 121.34 1rte h ALA 120 Ca -0.18 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.76 1rte h ALA 120 Cb 2.02 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 1rte h ALA 120 CO 0.21 0.41 0.28 -1.35 0.00 0.00 0.00 179.25 178.80 1rte h PRO 121 N 1.10 0.00 0.00 0.00 0.11 -1.77 -1.74 132.00 129.69 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 0.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.13 1rte h PRO 121 CO -0.12 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.95 1rte n LEU 122 N -3.61 0.00 -0.20 2.35 4.77 -0.46 -2.57 117.00 117.28 1rte n LEU 122 Ca 0.03 0.45 0.18 0.00 -0.03 0.00 0.00 56.01 56.63 1rte n LEU 122 Cb 0.41 -0.45 0.52 0.00 -2.33 0.00 0.00 43.42 41.56 1rte n LEU 122 CO 0.25 -0.21 1.22 0.00 -1.33 0.00 0.00 177.39 177.32 1rte h ALA 123 N 2.58 2.19 -0.77 -1.18 0.00 -1.47 -0.74 119.26 119.88 1rte h ALA 123 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1rte h ALA 123 Cb 0.24 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1rte h ALA 123 CO 0.00 -0.44 0.32 -0.39 0.00 0.00 0.00 179.25 178.74 1rte h VAL 124 N 0.39 1.25 0.08 0.00 -1.51 -1.75 -1.91 116.25 112.81 1rte h VAL 124 Ca 0.42 -0.78 -0.14 0.00 -1.23 0.00 0.00 66.70 64.98 1rte h VAL 124 Cb 1.04 0.32 0.01 0.00 -2.13 0.00 0.00 31.29 30.54 1rte h VAL 124 CO -0.14 0.32 -0.58 0.44 -1.23 0.00 0.00 177.57 176.38 1rte h ASP 125 N 1.11 0.37 -0.11 4.19 5.19 -1.44 -3.00 116.42 122.73 1rte h ASP 125 Ca 0.26 -0.91 -0.13 0.00 -0.62 0.00 0.00 57.03 55.63 1rte h ASP 125 Cb 0.19 -0.12 0.01 0.00 0.18 0.00 0.00 39.33 39.59 1rte h ASP 125 CO -0.02 1.25 -0.45 0.58 -3.12 0.00 0.00 179.24 177.47 1rte h VAL 126 N -0.44 1.37 -0.42 -1.35 2.07 -1.19 -3.33 116.25 112.97 1rte h VAL 126 Ca -0.09 -1.77 0.00 0.00 0.82 0.00 0.00 66.70 65.66 1rte h VAL 126 Cb 1.41 2.16 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 1rte h VAL 126 CO 0.11 0.53 0.00 0.35 0.02 0.00 0.00 177.57 178.58 1rte n THR 127 N -4.27 0.54 -4.12 2.57 -2.24 -0.72 -4.69 114.28 101.35 1rte n THR 127 Ca -0.08 -0.71 -0.11 0.00 -2.27 0.00 0.00 64.05 60.89 1rte n THR 127 Cb 0.57 0.74 -0.10 0.00 -2.10 0.00 0.00 70.33 69.43 1rte n THR 127 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1rte s SER 128 N -1.38 0.95 0.00 3.42 0.15 -1.13 -4.84 113.70 110.88 1rte s SER 128 Ca 0.39 -0.84 0.02 0.00 0.70 0.00 0.00 55.95 56.22 1rte s SER 128 Cb 0.22 0.09 0.01 0.00 -1.71 0.00 0.00 66.02 64.63 1rte s SER 128 CO 0.30 -0.39 0.56 0.61 1.20 0.00 0.00 173.24 175.52