#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4n s SER 2 N 0.00 -0.09 -0.31 1.61 0.01 -1.26 -5.06 113.70 108.59 1x4n s SER 2 Ca 0.00 -1.43 -0.11 0.00 1.31 0.00 0.00 55.95 55.72 1x4n s SER 2 Cb 0.00 1.16 0.19 0.00 0.21 0.00 0.00 66.02 67.57 1x4n s SER 2 CO 0.00 -0.19 1.09 -0.94 0.41 0.00 0.00 173.24 173.61 1x4n s SER 3 N 1.41 -0.21 0.00 2.44 1.04 -1.26 -5.13 113.70 111.98 1x4n s SER 3 Ca 0.19 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.53 1x4n s SER 3 Cb -0.08 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1x4n s SER 3 CO -0.05 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.75 1x4n n GLY 4 N 3.82 1.93 0.00 7.32 0.00 -1.26 -5.18 105.19 111.82 1x4n n GLY 4 Ca 0.06 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1x4n n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x4n n SER 5 N 0.00 0.00 -4.90 1.61 3.41 -1.26 -5.17 113.62 107.31 1x4n n SER 5 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 1x4n n SER 5 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1x4n n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x4n s SER 6 N 0.00 6.46 -0.13 4.04 1.04 -1.26 -5.09 113.70 118.76 1x4n s SER 6 Ca 0.00 0.50 -0.12 0.00 0.48 0.00 0.00 55.95 56.82 1x4n s SER 6 Cb 0.00 -2.06 -0.05 0.00 0.10 0.00 0.00 66.02 64.02 1x4n s SER 6 CO 0.00 0.11 0.25 -0.83 0.98 0.00 0.00 173.24 173.74 1x4n s GLY 7 N -2.38 2.21 0.33 7.32 0.00 -1.26 -5.09 107.32 108.46 1x4n s GLY 7 Ca 0.38 -0.50 0.06 0.00 0.00 0.00 0.00 44.72 44.66 1x4n s GLY 7 CO 0.25 0.13 -0.01 -1.58 0.00 0.00 0.00 173.10 171.89 1x4n s HIS 8 N -0.19 2.13 -0.25 1.90 5.65 -1.26 -4.95 115.29 118.33 1x4n s HIS 8 Ca 0.16 -0.76 -0.02 0.00 0.25 0.00 0.00 55.06 54.69 1x4n s HIS 8 Cb -0.13 -1.36 0.00 0.00 -1.18 0.00 0.00 32.58 29.92 1x4n s HIS 8 CO 0.05 0.26 0.05 0.94 -0.65 0.00 0.00 174.74 175.39 1x4n n GLN 9 N -0.73 -2.63 -2.84 2.88 -0.06 -1.26 -4.98 117.38 107.76 1x4n n GLN 9 Ca -0.04 2.25 -0.30 0.00 -2.00 0.00 0.00 57.00 56.91 1x4n n GLN 9 Cb 0.65 -4.28 -0.03 0.00 -4.06 0.00 0.00 30.24 22.52 1x4n n GLN 9 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 1x4n s GLN 10 N -1.57 3.73 0.09 3.69 0.74 -1.26 -5.09 119.66 119.99 1x4n s GLN 10 Ca 0.03 0.39 0.01 0.00 0.05 0.00 0.00 55.36 55.84 1x4n s GLN 10 Cb -0.01 -2.40 -0.01 0.00 1.10 0.00 0.00 33.01 31.70 1x4n s GLN 10 CO 0.60 -0.05 0.09 0.00 -0.55 0.00 0.00 175.29 175.38 1x4n n GLN 11 N -1.45 0.14 0.00 1.67 10.64 -1.26 -5.06 117.38 122.06 1x4n n GLN 11 Ca 0.02 -0.88 0.00 0.00 -1.83 0.00 0.00 57.00 54.30 1x4n n GLN 11 Cb 0.54 0.76 0.00 0.00 -0.86 0.00 0.00 30.24 30.68 1x4n n GLN 11 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12 1x4n n ARG 12 N -0.17 0.00 -0.77 2.61 1.85 -1.26 -5.15 116.66 113.77 1x4n n ARG 12 Ca 0.02 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.54 1x4n n ARG 12 Cb 0.17 0.00 0.13 0.00 -1.05 0.00 0.00 32.46 31.71 1x4n n ARG 12 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1x4n n SER 13 N 0.00 -2.46 -4.17 2.89 7.64 -1.26 -4.98 113.62 111.29 1x4n n SER 13 Ca 0.00 0.15 -0.20 0.00 1.01 0.00 0.00 58.87 59.83 1x4n n SER 13 Cb 0.00 -1.07 -0.13 0.00 -1.01 0.00 0.00 64.21 62.00 1x4n n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1x4n s VAL 14 N -2.30 1.17 0.22 0.44 1.01 -1.26 -4.62 120.40 115.06 1x4n s VAL 14 Ca 0.55 -1.16 0.07 0.00 0.00 0.00 0.00 61.98 61.44 1x4n s VAL 14 Cb -0.17 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 1x4n s VAL 14 CO 0.68 -0.08 -0.12 0.00 0.00 0.00 0.00 175.10 175.58 1x4n s MET 15 N -1.43 1.38 -0.03 2.72 0.23 -0.85 -4.93 119.30 116.39 1x4n s MET 15 Ca 0.01 -1.64 0.03 0.00 -1.03 0.00 0.00 55.69 53.06 1x4n s MET 15 Cb -0.09 -1.09 -0.03 0.00 -1.53 0.00 0.00 34.83 32.09 1x4n s MET 15 CO 0.02 0.14 -0.10 0.99 -2.03 0.00 0.00 175.02 174.04 1x4n s THR 16 N -3.01 3.45 0.03 3.16 2.01 -1.26 -2.81 115.64 117.20 1x4n s THR 16 Ca 0.24 -0.68 0.03 0.00 0.31 0.00 0.00 61.69 61.59 1x4n s THR 16 Cb 0.01 -2.42 -0.02 0.00 0.01 0.00 0.00 72.50 70.08 1x4n s THR 16 CO 0.08 0.52 -0.08 -0.70 -0.69 0.00 0.00 174.62 173.74 1x4n s GLU 17 N -1.01 0.60 -0.49 4.92 2.56 -1.12 -5.02 118.70 119.13 1x4n s GLU 17 Ca 0.14 -0.56 -0.08 0.00 0.00 0.00 0.00 54.97 54.46 1x4n s GLU 17 Cb -0.11 -0.49 0.13 0.00 2.00 0.00 0.00 34.13 35.65 1x4n s GLU 17 CO 0.03 0.12 0.35 -2.00 -0.56 0.00 0.00 175.26 173.20 1x4n s GLU 18 N -0.97 2.47 -0.18 4.30 2.12 -1.26 -2.31 118.70 122.86 1x4n s GLU 18 Ca -0.03 -1.87 -0.07 0.00 0.36 0.00 0.00 54.97 53.35 1x4n s GLU 18 Cb -0.07 -3.89 -0.04 0.00 0.26 0.00 0.00 34.13 30.40 1x4n s GLU 18 CO 0.00 -1.18 0.06 -0.47 -0.54 0.00 0.00 175.26 173.13 1x4n s TYR 19 N 1.15 3.24 -0.09 5.30 5.04 -1.13 -4.97 117.35 125.88 1x4n s TYR 19 Ca 0.08 0.05 -0.05 0.00 -2.44 0.00 0.00 57.07 54.70 1x4n s TYR 19 Cb -0.24 -2.08 -0.04 0.00 0.35 0.00 0.00 41.96 39.95 1x4n s TYR 19 CO -0.02 0.13 0.11 0.15 -1.34 0.00 0.00 175.55 174.58 1x4n s LYS 20 N 0.42 3.31 0.12 4.97 1.02 -1.26 -0.92 119.74 127.39 1x4n s LYS 20 Ca 0.03 -0.23 0.03 0.00 0.02 0.00 0.00 55.97 55.81 1x4n s LYS 20 Cb -0.13 -3.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.07 1x4n s LYS 20 CO 0.00 0.74 -0.08 0.14 -0.92 0.00 0.00 175.35 175.24 1x4n s VAL 21 N -1.04 0.87 -0.22 3.17 -7.23 -0.96 -4.92 120.40 110.07 1x4n s VAL 21 Ca 0.16 -1.98 -0.29 0.00 -1.81 0.00 0.00 61.98 58.06 1x4n s VAL 21 Cb -0.12 -1.75 -0.01 0.00 0.56 0.00 0.00 36.38 35.06 1x4n s VAL 21 CO 0.06 -0.82 1.31 -2.16 -0.31 0.00 0.00 175.10 173.17 1x4n s PRO 22 N -3.80 4.08 0.61 4.82 0.04 -1.26 0.11 135.00 139.60 1x4n s PRO 22 Ca 0.14 1.51 0.29 0.00 0.04 0.00 0.00 61.00 62.98 1x4n s PRO 22 Cb 0.04 -3.83 1.58 0.00 0.04 0.00 0.00 34.50 32.34 1x4n s PRO 22 CO -0.03 -0.91 1.96 0.22 0.04 0.00 0.00 177.00 178.28 1x4n h ASP 23 N 8.82 0.00 0.67 6.66 3.58 -1.86 1.38 116.42 135.67 1x4n h ASP 23 Ca -0.27 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.18 1x4n h ASP 23 Cb 1.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.16 1x4n h ASP 23 CO 1.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.97 1x4n n GLY 24 N -1.38 -1.17 0.00 -0.78 0.00 -1.26 -3.50 105.19 97.09 1x4n n GLY 24 Ca 0.03 -0.07 -0.00 0.00 0.00 0.00 0.00 46.02 45.98 1x4n n GLY 24 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x4n n MET 25 N -1.49 1.68 -0.27 1.61 2.81 0.43 -4.72 117.12 117.18 1x4n n MET 25 Ca 0.05 0.00 0.02 0.00 -1.81 0.00 0.00 57.70 55.97 1x4n n MET 25 Cb 0.23 -1.01 0.10 0.00 -0.71 0.00 0.00 33.22 31.83 1x4n n MET 25 CO 0.00 0.00 0.00 -0.24 1.51 0.00 0.00 175.97 177.24 1x4n h VAL 26 N 0.00 0.24 -0.96 2.03 3.04 -0.33 1.68 116.25 121.95 1x4n h VAL 26 Ca -0.01 -0.00 0.28 0.00 -1.01 0.00 0.00 66.70 65.95 1x4n h VAL 26 Cb 1.02 0.23 -0.04 0.00 -2.01 0.00 0.00 31.29 30.49 1x4n h VAL 26 CO -0.00 0.00 0.71 1.23 -1.01 0.00 0.00 177.57 178.50 1x4n h GLY 27 N 0.01 0.00 0.59 3.17 0.00 -1.82 0.57 103.07 105.59 1x4n h GLY 27 Ca 0.38 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.58 1x4n h GLY 27 CO -0.78 0.00 -1.63 0.33 0.00 0.00 0.00 176.54 174.46 1x4n n PHE 28 N -4.20 0.58 -0.20 5.60 7.35 0.52 -4.16 117.46 122.95 1x4n n PHE 28 Ca 0.20 0.19 -0.07 0.00 -0.76 0.00 0.00 57.45 57.00 1x4n n PHE 28 Cb 1.04 -0.90 0.02 0.00 0.35 0.00 0.00 39.48 39.99 1x4n n PHE 28 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1x4n h ILE 29 N 0.00 1.20 0.23 -2.13 2.04 0.53 -2.96 117.51 116.42 1x4n h ILE 29 Ca -0.15 -0.56 0.01 0.00 1.00 0.00 0.00 64.86 65.15 1x4n h ILE 29 Cb 1.43 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 1x4n h ILE 29 CO 0.02 0.23 -0.46 0.40 0.00 0.00 0.00 178.15 178.34 1x4n h ILE 30 N 0.76 0.09 0.00 -0.67 5.03 -1.45 -2.51 117.51 118.76 1x4n h ILE 30 Ca 0.19 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.93 1x4n h ILE 30 Cb 0.11 0.09 0.00 0.00 -3.03 0.00 0.00 36.82 33.99 1x4n h ILE 30 CO -0.03 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 178.05 1x4n n GLY 31 N -1.50 1.88 0.41 5.37 0.00 -1.12 -1.44 105.19 108.79 1x4n n GLY 31 Ca -0.09 -2.05 -0.11 0.00 0.00 0.00 0.00 46.02 43.78 1x4n n GLY 31 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1x4n h ARG 32 N 0.00 -0.03 -0.86 1.61 2.47 -1.92 -2.32 114.38 113.33 1x4n h ARG 32 Ca 0.00 0.00 -0.53 0.00 -1.26 0.00 0.00 59.98 58.19 1x4n h ARG 32 Cb 0.00 0.01 -0.43 0.00 -1.65 0.00 0.00 29.97 27.90 1x4n h ARG 32 CO 0.00 -0.02 -0.83 0.41 0.56 0.00 0.00 179.97 180.09 1x4n n GLY 33 N -1.25 5.97 2.47 0.04 0.00 -1.26 -4.90 105.19 106.25 1x4n n GLY 33 Ca 0.02 -2.56 -0.20 0.00 0.00 0.00 0.00 46.02 43.27 1x4n n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4n n GLY 34 N -0.66 0.51 0.09 -0.02 0.00 -0.87 -4.84 105.19 99.40 1x4n n GLY 34 Ca 0.40 -0.04 -0.03 0.00 0.00 0.00 0.00 46.02 46.35 1x4n n GLY 34 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1x4n h GLU 35 N 0.00 0.00 -0.94 1.61 4.81 -1.75 -3.12 114.58 115.19 1x4n h GLU 35 Ca -0.45 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1x4n h GLU 35 Cb 1.34 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.67 1x4n h GLU 35 CO 0.58 0.36 0.59 0.37 -0.73 0.00 0.00 179.01 180.18 1x4n h GLN 36 N 0.00 1.26 0.10 1.92 5.75 -1.46 -1.28 115.11 121.41 1x4n h GLN 36 Ca -0.20 -0.10 -0.29 0.00 -0.15 0.00 0.00 58.65 57.91 1x4n h GLN 36 Cb 1.73 -0.27 0.02 0.00 1.07 0.00 0.00 27.48 30.03 1x4n h GLN 36 CO 0.06 0.87 -1.20 0.97 -2.65 0.00 0.00 178.83 176.87 1x4n h ILE 37 N 1.29 1.32 -0.64 2.39 6.09 -0.80 -3.26 117.51 123.90 1x4n h ILE 37 Ca 0.34 -2.52 0.12 0.00 -1.37 0.00 0.00 64.86 61.43 1x4n h ILE 37 Cb -0.09 2.67 -0.09 0.00 0.47 0.00 0.00 36.82 39.79 1x4n h ILE 37 CO -0.07 0.76 0.15 -1.28 -3.07 0.00 0.00 178.15 174.65 1x4n h SER 38 N 0.25 0.04 -0.30 2.19 0.87 -1.37 0.66 113.55 115.89 1x4n h SER 38 Ca -0.17 0.12 0.05 0.00 -1.23 0.00 0.00 61.79 60.56 1x4n h SER 38 Cb 1.87 0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 63.97 1x4n h SER 38 CO 0.22 0.02 0.20 -0.09 -0.53 0.00 0.00 176.83 176.66 1x4n h ARG 39 N 0.28 0.19 0.16 2.24 2.43 -1.30 0.51 114.38 118.89 1x4n h ARG 39 Ca 0.34 -0.01 -0.29 0.00 -0.81 0.00 0.00 59.98 59.20 1x4n h ARG 39 Cb 0.51 -0.04 0.02 0.00 -0.42 0.00 0.00 29.97 30.04 1x4n h ARG 39 CO -0.42 0.12 -1.30 0.82 -1.51 0.00 0.00 179.97 177.68 1x4n h ILE 40 N 0.19 1.42 -0.07 1.20 2.04 -0.20 0.21 117.51 122.30 1x4n h ILE 40 Ca 0.13 -2.91 -0.11 0.00 1.00 0.00 0.00 64.86 62.97 1x4n h ILE 40 Cb 0.28 2.95 -0.01 0.00 -0.74 0.00 0.00 36.82 39.30 1x4n h ILE 40 CO -0.02 0.86 -0.45 1.56 0.00 0.00 0.00 178.15 180.09 1x4n h GLN 41 N 0.11 0.16 0.13 2.37 4.20 0.17 -1.88 115.11 120.36 1x4n h GLN 41 Ca -0.17 -0.08 -0.33 0.00 0.06 0.00 0.00 58.65 58.13 1x4n h GLN 41 Cb 2.02 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.79 1x4n h GLN 41 CO 0.23 0.58 -1.73 1.96 -0.67 0.00 0.00 178.83 179.20 1x4n h GLN 42 N 0.13 0.27 0.41 1.46 1.08 -0.09 0.82 115.11 119.19 1x4n h GLN 42 Ca 0.01 -0.46 -0.01 0.00 -1.45 0.00 0.00 58.65 56.73 1x4n h GLN 42 Cb 0.86 0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 28.45 1x4n h GLN 42 CO 0.07 1.13 -0.27 0.93 -0.95 0.00 0.00 178.83 179.74 1x4n h GLU 43 N 0.07 -0.64 0.00 1.46 4.39 -0.52 -2.84 114.58 116.51 1x4n h GLU 43 Ca -0.32 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.42 1x4n h GLU 43 Cb 2.05 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.84 1x4n h GLU 43 CO 0.14 -0.43 -0.58 0.66 -1.16 0.00 0.00 179.01 177.65 1x4n h SER 44 N -0.66 0.00 -2.07 1.42 4.64 -1.51 -3.48 113.55 111.89 1x4n h SER 44 Ca -0.04 -0.08 -0.29 0.00 -0.47 0.00 0.00 61.79 60.91 1x4n h SER 44 Cb 0.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1x4n h SER 44 CO 0.03 0.04 -0.37 0.61 -0.87 0.00 0.00 176.83 176.27 1x4n n GLY 45 N 1.24 -0.22 3.67 -0.77 0.00 0.19 -4.61 105.19 104.69 1x4n n GLY 45 Ca 0.03 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 1x4n n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4n s LYS 47 N -3.47 4.16 -0.28 0.00 2.20 -0.79 -4.47 119.74 117.10 1x4n s LYS 47 Ca 0.30 0.70 -0.02 0.00 -0.36 0.00 0.00 55.97 56.60 1x4n s LYS 47 Cb -0.07 -3.16 0.09 0.00 -1.51 0.00 0.00 37.83 33.18 1x4n s LYS 47 CO 0.20 0.59 0.08 0.42 -0.36 0.00 0.00 175.35 176.29 1x4n s ILE 48 N -1.21 0.66 -0.51 5.43 1.01 -1.26 -2.51 121.20 122.81 1x4n s ILE 48 Ca 0.32 -1.09 -0.13 0.00 0.00 0.00 0.00 60.65 59.74 1x4n s ILE 48 Cb -0.18 -1.41 0.13 0.00 0.01 0.00 0.00 42.46 41.00 1x4n s ILE 48 CO 0.19 -0.56 0.43 -1.10 0.00 0.00 0.00 174.94 173.90 1x4n s GLN 49 N 1.74 2.76 -0.21 2.79 -1.52 -0.03 -4.96 119.66 120.24 1x4n s GLN 49 Ca 0.07 -1.74 -0.15 0.00 -1.95 0.00 0.00 55.36 51.59 1x4n s GLN 49 Cb -0.17 -4.13 -0.04 0.00 -0.22 0.00 0.00 33.01 28.45 1x4n s GLN 49 CO -0.22 -1.27 0.36 0.42 -0.25 0.00 0.00 175.29 174.33 1x4n s ILE 50 N 1.49 5.23 0.81 1.08 1.01 -1.26 -1.10 121.20 128.45 1x4n s ILE 50 Ca 0.04 0.63 -0.10 0.00 0.00 0.00 0.00 60.65 61.22 1x4n s ILE 50 Cb -0.28 -3.69 0.08 0.00 0.01 0.00 0.00 42.46 38.58 1x4n s ILE 50 CO 0.01 0.27 1.11 0.00 0.00 0.00 0.00 174.94 176.33 1x4n s ALA 51 N 1.24 2.03 0.00 9.38 0.00 -1.23 -5.02 121.76 128.16 1x4n s ALA 51 Ca 0.17 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.50 1x4n s ALA 51 Cb -0.14 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1x4n s ALA 51 CO 0.07 -2.06 0.18 -0.35 0.00 0.00 0.00 175.76 173.60 1x4n n PRO 52 N -3.72 0.00 -2.97 0.00 -0.04 -1.26 -4.79 135.00 122.23 1x4n n PRO 52 Ca 0.10 0.21 -0.41 0.00 -0.04 0.00 0.00 63.50 63.37 1x4n n PRO 52 Cb 0.53 -0.84 -0.04 0.00 -0.04 0.00 0.00 33.50 33.10 1x4n n PRO 52 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1x4n s ASP 53 N -1.89 6.96 -0.24 3.54 2.15 -1.26 -4.94 116.67 120.99 1x4n s ASP 53 Ca 0.00 1.16 -0.03 0.00 0.43 0.00 0.00 52.55 54.11 1x4n s ASP 53 Cb 0.00 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 40.19 1x4n s ASP 53 CO 0.00 -0.26 2.72 -1.54 -0.17 0.00 0.00 175.17 175.91 1x4n n SER 54 N 4.57 6.00 0.00 -0.34 3.41 -1.26 -4.93 113.62 121.07 1x4n n SER 54 Ca 0.02 -2.87 0.00 0.00 -0.26 0.00 0.00 58.87 55.75 1x4n n SER 54 Cb 0.50 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 63.22 1x4n n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4n n GLY 55 N 1.26 0.49 0.81 5.00 0.00 -1.26 -0.97 105.19 110.52 1x4n n GLY 55 Ca 0.36 0.43 -0.01 0.00 0.00 0.00 0.00 46.02 46.81 1x4n n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4n n GLY 56 N 0.00 0.75 3.91 -0.02 0.00 -1.26 -5.12 105.19 103.45 1x4n n GLY 56 Ca 0.00 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 1x4n n GLY 56 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x4n s LEU 57 N 0.00 4.14 0.29 0.99 2.01 -0.15 -5.00 118.68 120.97 1x4n s LEU 57 Ca 0.07 0.63 0.14 0.00 0.01 0.00 0.00 54.13 54.98 1x4n s LEU 57 Cb 0.08 -3.41 0.34 0.00 0.01 0.00 0.00 46.19 43.21 1x4n s LEU 57 CO -0.03 -0.11 1.58 1.55 1.01 0.00 0.00 176.35 180.34 1x4n h PRO 58 N 1.99 0.00 -6.30 1.29 0.13 -1.95 -3.44 132.00 123.72 1x4n h PRO 58 Ca -0.47 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.98 1x4n h PRO 58 Cb 1.18 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.14 1x4n h PRO 58 CO 0.68 0.56 -0.71 -1.21 -0.23 0.00 0.00 178.00 177.08 1x4n s GLU 59 N -3.34 2.54 -0.26 0.86 2.02 -1.26 -2.80 118.70 116.46 1x4n s GLU 59 Ca 0.01 -0.73 -0.19 0.00 0.02 0.00 0.00 54.97 54.08 1x4n s GLU 59 Cb 0.11 -2.49 -0.02 0.00 0.10 0.00 0.00 34.13 31.82 1x4n s GLU 59 CO 0.74 0.60 0.55 0.50 0.02 0.00 0.00 175.26 177.67 1x4n s ARG 60 N -1.39 4.06 0.09 1.61 6.06 0.30 -4.77 118.95 124.91 1x4n s ARG 60 Ca 0.17 0.37 -0.31 0.00 -2.50 0.00 0.00 55.73 53.46 1x4n s ARG 60 Cb -0.11 -3.66 -0.07 0.00 0.06 0.00 0.00 34.95 31.17 1x4n s ARG 60 CO 0.07 -0.39 1.34 0.45 -2.50 0.00 0.00 175.30 174.28 1x4n s SER 61 N 1.53 6.89 -0.22 -2.12 0.15 -1.26 -2.26 113.70 116.41 1x4n s SER 61 Ca 0.23 2.22 0.01 0.00 0.70 0.00 0.00 55.95 59.11 1x4n s SER 61 Cb -0.16 -2.58 0.05 0.00 -1.71 0.00 0.00 66.02 61.62 1x4n s SER 61 CO 0.09 -0.61 -0.09 0.00 1.20 0.00 0.00 173.24 173.82 1x4n s MET 63 N 1.32 3.97 0.02 0.00 -1.94 -0.26 -2.84 119.30 119.58 1x4n s MET 63 Ca -0.04 0.87 -0.03 0.00 -1.71 0.00 0.00 55.69 54.77 1x4n s MET 63 Cb -0.18 -3.77 -0.04 0.00 2.01 0.00 0.00 34.83 32.85 1x4n s MET 63 CO -0.07 -0.95 0.23 -0.51 -0.01 0.00 0.00 175.02 173.71 1x4n s LEU 64 N 3.66 4.36 -0.06 -0.03 1.02 -0.98 -0.85 118.68 125.80 1x4n s LEU 64 Ca 0.43 0.41 -0.02 0.00 0.02 0.00 0.00 54.13 54.97 1x4n s LEU 64 Cb -0.12 -2.77 0.04 0.00 0.02 0.00 0.00 46.19 43.37 1x4n s LEU 64 CO 0.18 0.22 0.12 -0.89 0.02 0.00 0.00 176.35 176.00 1x4n s THR 65 N -1.39 -0.14 -5.00 5.49 2.01 -1.04 -2.81 115.64 112.76 1x4n s THR 65 Ca 0.30 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.59 1x4n s THR 65 Cb -0.13 -0.22 0.00 0.00 0.01 0.00 0.00 72.50 72.16 1x4n s THR 65 CO 0.20 0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.87 1x4n n GLY 66 N 4.79 0.24 3.67 4.40 0.00 -1.12 -1.89 105.19 115.28 1x4n n GLY 66 Ca -0.15 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 1x4n n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x4n s THR 67 N -2.88 2.47 0.14 2.61 -4.23 -1.26 -2.00 115.64 110.49 1x4n s THR 67 Ca 0.00 0.15 -0.04 0.00 -1.18 0.00 0.00 61.69 60.62 1x4n s THR 67 Cb 0.00 -2.40 -0.16 0.00 1.34 0.00 0.00 72.50 71.28 1x4n s THR 67 CO 0.00 -0.20 1.34 1.55 -0.54 0.00 0.00 174.62 176.78 1x4n h PRO 68 N -1.78 0.43 0.00 3.99 0.13 -1.93 -1.43 132.00 131.41 1x4n h PRO 68 Ca -0.48 -0.42 -0.03 0.00 -0.87 0.00 0.00 66.00 64.20 1x4n h PRO 68 Cb 1.28 0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.51 1x4n h PRO 68 CO 0.49 1.07 -0.16 0.93 -0.23 0.00 0.00 178.00 180.09 1x4n h GLU 69 N 0.26 0.00 0.00 0.86 3.07 -1.98 -1.78 114.58 115.00 1x4n h GLU 69 Ca -0.06 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.52 1x4n h GLU 69 Cb 1.48 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.35 1x4n h GLU 69 CO 0.15 0.16 -1.60 0.77 -1.40 0.00 0.00 179.01 177.09 1x4n h SER 70 N 0.00 0.00 -0.30 1.42 0.02 -1.79 -2.96 113.55 109.95 1x4n h SER 70 Ca -0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1x4n h SER 70 Cb 0.51 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 1x4n h SER 70 CO 0.02 0.98 -0.00 0.58 -1.14 0.00 0.00 176.83 177.27 1x4n h VAL 71 N 0.00 1.26 0.09 2.27 2.07 -0.77 -0.64 116.25 120.53 1x4n h VAL 71 Ca -0.24 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 1x4n h VAL 71 Cb 1.96 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 33.02 1x4n h VAL 71 CO 0.08 0.30 -0.05 1.56 0.02 0.00 0.00 177.57 179.49 1x4n h GLN 72 N 0.31 -0.12 -0.40 1.57 4.20 -1.48 -0.45 115.11 118.75 1x4n h GLN 72 Ca 0.08 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.89 1x4n h GLN 72 Cb 0.43 0.03 -0.09 0.00 0.30 0.00 0.00 27.48 28.16 1x4n h GLN 72 CO 0.02 0.24 -0.18 0.77 -0.67 0.00 0.00 178.83 179.00 1x4n h SER 73 N -0.50 -0.62 0.16 1.46 0.02 -1.51 0.30 113.55 112.85 1x4n h SER 73 Ca -0.01 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1x4n h SER 73 Cb 0.42 0.34 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 1x4n h SER 73 CO 0.02 -0.21 -0.13 0.00 -1.14 0.00 0.00 176.83 175.37 1x4n h ALA 74 N 1.19 -0.28 -0.54 3.77 0.00 -1.10 -2.00 119.26 120.30 1x4n h ALA 74 Ca 0.20 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.17 1x4n h ALA 74 Cb 0.41 0.18 -0.11 0.00 0.00 0.00 0.00 17.79 18.27 1x4n h ALA 74 CO -0.47 -0.67 -0.22 0.87 0.00 0.00 0.00 179.25 178.76 1x4n h LYS 75 N -0.31 -0.09 -0.75 0.00 1.57 0.05 0.33 116.57 117.37 1x4n h LYS 75 Ca -0.00 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 58.94 1x4n h LYS 75 Cb 0.28 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.51 1x4n h LYS 75 CO -0.02 -0.06 0.25 0.00 -0.57 0.00 0.00 179.45 179.06 1x4n h ARG 76 N -0.09 0.35 0.55 3.15 2.47 -0.01 0.31 114.38 121.11 1x4n h ARG 76 Ca 0.25 -0.02 -0.03 0.00 -1.26 0.00 0.00 59.98 58.92 1x4n h ARG 76 Cb 0.48 -0.08 0.01 0.00 -1.65 0.00 0.00 29.97 28.73 1x4n h ARG 76 CO -0.60 0.23 -0.26 -0.07 0.56 0.00 0.00 179.97 179.82 1x4n h LEU 77 N 0.36 -0.63 -0.05 3.04 3.38 0.25 0.95 115.31 122.61 1x4n h LEU 77 Ca 0.43 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.40 1x4n h LEU 77 Cb 0.70 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 1x4n h LEU 77 CO -0.46 -0.39 -0.37 -0.07 0.09 0.00 0.00 178.44 177.23 1x4n h LEU 78 N -0.82 -1.17 -0.62 1.67 3.38 0.40 -1.38 115.31 116.77 1x4n h LEU 78 Ca -0.08 0.14 0.11 0.00 0.09 0.00 0.00 57.88 58.14 1x4n h LEU 78 Cb 0.60 0.45 -0.12 0.00 0.09 0.00 0.00 40.66 41.68 1x4n h LEU 78 CO 0.12 -0.34 -0.33 -0.78 0.09 0.00 0.00 178.44 177.20 1x4n h ASP 79 N -0.43 -1.14 -0.97 -0.43 3.58 -0.42 -0.37 116.42 116.24 1x4n h ASP 79 Ca 0.02 0.23 0.10 0.00 0.42 0.00 0.00 57.03 57.79 1x4n h ASP 79 Cb 0.48 0.58 -0.12 0.00 1.72 0.00 0.00 39.33 41.98 1x4n h ASP 79 CO -0.28 -0.30 -0.55 1.67 -2.88 0.00 0.00 179.24 176.91 1x4n n GLN 80 N -5.44 -0.40 -0.18 0.28 0.00 0.33 -0.30 117.38 111.67 1x4n n GLN 80 Ca 0.05 1.47 -0.10 0.00 -0.00 0.00 0.00 57.00 58.42 1x4n n GLN 80 Cb 0.36 -2.17 -0.08 0.00 0.00 0.00 0.00 30.24 28.35 1x4n n GLN 80 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 1x4n h ILE 81 N 0.00 0.00 -0.60 1.69 2.04 -0.12 1.50 117.51 122.01 1x4n h ILE 81 Ca 0.18 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.15 1x4n h ILE 81 Cb 0.43 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.39 1x4n h ILE 81 CO -0.92 0.00 -0.32 0.58 0.00 0.00 0.00 178.15 177.49 1x4n h VAL 82 N -0.23 0.18 0.61 1.67 2.07 -0.49 0.87 116.25 120.93 1x4n h VAL 82 Ca 0.08 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 1x4n h VAL 82 Cb 0.43 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1x4n h VAL 82 CO -0.55 0.00 -0.48 -0.08 0.02 0.00 0.00 177.57 176.48 1x4n h GLU 83 N -0.15 -1.01 -0.70 1.57 4.22 0.18 1.08 114.58 119.77 1x4n h GLU 83 Ca 0.24 0.07 0.15 0.00 0.08 0.00 0.00 59.36 59.90 1x4n h GLU 83 Cb 0.55 0.23 -0.12 0.00 0.50 0.00 0.00 28.75 29.91 1x4n h GLU 83 CO -0.69 -0.67 -0.02 -0.22 -2.18 0.00 0.00 179.01 175.23 1x4n h LYS 84 N -1.05 0.09 0.00 1.92 3.64 0.31 -3.22 116.57 118.26 1x4n h LYS 84 Ca -0.08 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1x4n h LYS 84 Cb 0.88 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1x4n h LYS 84 CO 0.01 0.06 0.00 0.41 -2.27 0.00 0.00 179.45 177.66 1x4n n GLY 85 N -1.41 -0.38 3.51 5.01 0.00 0.29 -4.94 105.19 107.27 1x4n n GLY 85 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 1x4n n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4n n ARG 86 N -0.37 -1.68 -3.62 1.61 1.74 0.37 -4.90 116.66 109.82 1x4n n ARG 86 Ca 0.00 1.09 -0.39 0.00 -0.77 0.00 0.00 57.85 57.78 1x4n n ARG 86 Cb 0.00 -1.95 -0.11 0.00 -1.02 0.00 0.00 32.46 29.38 1x4n n ARG 86 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1x4n s SER 87 N -1.96 5.67 0.00 0.55 1.04 -1.26 -5.08 113.70 112.66 1x4n s SER 87 Ca 0.23 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 56.06 1x4n s SER 87 Cb -0.02 -2.03 0.00 0.00 0.10 0.00 0.00 66.02 64.07 1x4n s SER 87 CO 0.83 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.42 1x4n n GLY 88 N 5.01 -0.37 3.82 7.32 0.00 -1.26 -5.01 105.19 114.69 1x4n n GLY 88 Ca -0.13 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.31 1x4n n GLY 88 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4n s PRO 89 N 0.00 3.02 -0.59 1.61 0.04 -1.26 -4.87 135.00 132.94 1x4n s PRO 89 Ca 0.00 0.99 -0.29 0.00 0.04 0.00 0.00 61.00 61.74 1x4n s PRO 89 Cb 0.00 -2.00 -0.12 0.00 0.04 0.00 0.00 34.50 32.42 1x4n s PRO 89 CO 0.00 -1.04 2.45 0.45 0.04 0.00 0.00 177.00 178.90 1x4n n SER 90 N -2.92 1.77 -3.04 6.66 2.88 -1.26 -4.79 113.62 112.92 1x4n n SER 90 Ca 0.08 -0.13 -0.15 0.00 -1.33 0.00 0.00 58.87 57.33 1x4n n SER 90 Cb 0.53 -1.35 -0.03 0.00 -0.75 0.00 0.00 64.21 62.61 1x4n n SER 90 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x4n n SER 91 N 13.22 -1.87 0.00 -3.46 7.64 -1.26 -5.33 113.62 122.56 1x4n n SER 91 Ca 0.45 -2.75 0.00 0.00 1.01 0.00 0.00 58.87 57.58 1x4n n SER 91 Cb 0.35 0.64 0.00 0.00 -1.01 0.00 0.00 64.21 64.19 1x4n n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64