#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 -0.12 -0.02 1.61 0.15 -1.26 -5.13 113.70 108.93 1x4n s SER 2 Ca 0.00 -0.02 -0.30 0.00 0.70 0.00 0.00 55.95 56.33 1x4n s SER 2 Cb 0.00 0.67 -0.06 0.00 -1.71 0.00 0.00 66.02 64.92 1x4n s SER 2 CO 0.00 -0.02 1.57 -0.55 1.20 0.00 0.00 173.24 175.44 1x4n s SER 3 N 2.54 6.71 0.00 5.45 0.15 -1.26 -4.97 113.70 122.33 1x4n s SER 3 Ca 0.24 2.22 0.00 0.00 0.70 0.00 0.00 55.95 59.11 1x4n s SER 3 Cb 0.02 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1x4n s SER 3 CO -0.20 -0.86 0.00 0.61 1.20 0.00 0.00 173.24 173.99 1x4n n GLY 4 N 3.96 -0.34 3.13 9.45 0.00 -1.26 -4.98 105.19 115.15 1x4n n GLY 4 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 1x4n n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x4n n SER 5 N 0.00 -6.90 -3.67 1.61 7.64 -1.26 -5.03 113.62 106.01 1x4n n SER 5 Ca 0.00 0.30 -0.09 0.00 1.01 0.00 0.00 58.87 60.09 1x4n n SER 5 Cb 0.00 -3.70 -0.09 0.00 -1.01 0.00 0.00 64.21 59.40 1x4n n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x4n s SER 6 N -2.02 -0.51 0.00 6.43 1.04 -1.26 -5.11 113.70 112.27 1x4n s SER 6 Ca 0.28 1.05 0.00 0.00 0.48 0.00 0.00 55.95 57.77 1x4n s SER 6 Cb -0.05 1.18 0.00 0.00 0.10 0.00 0.00 66.02 67.25 1x4n s SER 6 CO 0.78 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.40 1x4n n GLY 7 N 4.80 3.31 3.15 7.32 0.00 -1.26 -5.07 105.19 117.44 1x4n n GLY 7 Ca -0.16 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 1x4n n GLY 7 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1x4n s HIS 8 N 0.00 3.80 0.18 1.61 2.46 -1.26 -5.02 115.29 117.07 1x4n s HIS 8 Ca 0.00 -2.82 -0.06 0.00 0.47 0.00 0.00 55.06 52.66 1x4n s HIS 8 Cb 0.00 -3.35 -0.02 0.00 -0.13 0.00 0.00 32.58 29.07 1x4n s HIS 8 CO 0.00 -0.81 0.23 -0.65 -2.47 0.00 0.00 174.74 171.04 1x4n s GLN 9 N -0.88 1.20 -0.16 2.88 -1.52 -1.26 -5.15 119.66 114.77 1x4n s GLN 9 Ca 0.24 -1.39 -0.11 0.00 -1.95 0.00 0.00 55.36 52.15 1x4n s GLN 9 Cb -0.11 0.33 -0.05 0.00 -0.22 0.00 0.00 33.01 32.97 1x4n s GLN 9 CO -0.09 -0.42 0.22 -0.65 -0.25 0.00 0.00 175.29 174.10 1x4n s GLN 10 N -4.05 4.08 -0.29 2.91 -1.52 -1.26 -5.04 119.66 114.48 1x4n s GLN 10 Ca 0.26 -0.03 0.06 0.00 -1.95 0.00 0.00 55.36 53.71 1x4n s GLN 10 Cb 0.05 -3.37 0.20 0.00 -0.22 0.00 0.00 33.01 29.66 1x4n s GLN 10 CO 0.06 0.38 0.59 -1.14 -0.25 0.00 0.00 175.29 174.92 1x4n s GLN 11 N 0.09 0.56 -0.25 2.91 0.74 -1.26 -5.12 119.66 117.33 1x4n s GLN 11 Ca 0.14 0.52 -0.03 0.00 0.05 0.00 0.00 55.36 56.04 1x4n s GLN 11 Cb -0.12 0.24 0.11 0.00 1.10 0.00 0.00 33.01 34.33 1x4n s GLN 11 CO 0.02 -1.05 0.21 0.50 -0.55 0.00 0.00 175.29 174.42 1x4n s ARG 12 N 2.80 0.22 -0.29 1.67 3.52 -1.26 -5.12 118.95 120.49 1x4n s ARG 12 Ca 0.10 -0.16 -0.25 0.00 -0.13 0.00 0.00 55.73 55.29 1x4n s ARG 12 Cb -0.10 -1.07 0.18 0.00 -1.56 0.00 0.00 34.95 32.40 1x4n s ARG 12 CO -0.26 -0.89 1.37 -1.12 -0.81 0.00 0.00 175.30 173.60 1x4n s SER 13 N 2.25 -0.12 0.08 -2.12 0.01 -1.26 -5.18 113.70 107.36 1x4n s SER 13 Ca 0.08 0.23 0.06 0.00 1.31 0.00 0.00 55.95 57.63 1x4n s SER 13 Cb -0.15 0.24 -0.03 0.00 0.21 0.00 0.00 66.02 66.28 1x4n s SER 13 CO -0.26 -0.04 -0.16 -0.69 0.41 0.00 0.00 173.24 172.49 1x4n s VAL 14 N 0.04 1.30 0.29 3.43 1.01 -1.26 -4.71 120.40 120.50 1x4n s VAL 14 Ca 0.07 -1.33 0.05 0.00 0.00 0.00 0.00 61.98 60.77 1x4n s VAL 14 Cb -0.05 -1.22 -0.06 0.00 0.00 0.00 0.00 36.38 35.06 1x4n s VAL 14 CO -0.14 -0.14 -0.02 0.00 0.00 0.00 0.00 175.10 174.81 1x4n s MET 15 N -1.70 1.55 -0.03 2.72 0.23 0.18 -4.90 119.30 117.37 1x4n s MET 15 Ca 0.01 -1.81 0.06 0.00 -1.03 0.00 0.00 55.69 52.92 1x4n s MET 15 Cb -0.10 -1.01 -0.01 0.00 -1.53 0.00 0.00 34.83 32.18 1x4n s MET 15 CO 0.03 -0.04 -0.20 0.99 -2.03 0.00 0.00 175.02 173.77 1x4n s THR 16 N -3.14 1.59 0.04 3.16 2.01 -1.26 -1.69 115.64 116.34 1x4n s THR 16 Ca 0.31 -0.84 0.04 0.00 0.31 0.00 0.00 61.69 61.52 1x4n s THR 16 Cb 0.06 -1.33 -0.02 0.00 0.01 0.00 0.00 72.50 71.21 1x4n s THR 16 CO 0.12 0.45 -0.13 -0.70 -0.69 0.00 0.00 174.62 173.67 1x4n s GLU 17 N -0.30 0.87 -0.42 4.92 2.56 -1.16 -4.99 118.70 120.19 1x4n s GLU 17 Ca 0.03 -0.72 -0.12 0.00 0.00 0.00 0.00 54.97 54.17 1x4n s GLU 17 Cb -0.09 -0.86 0.06 0.00 2.00 0.00 0.00 34.13 35.24 1x4n s GLU 17 CO 0.00 0.21 0.28 -2.00 -0.56 0.00 0.00 175.26 173.19 1x4n s GLU 18 N -1.11 2.78 -0.16 4.30 2.12 -1.26 -2.18 118.70 123.19 1x4n s GLU 18 Ca 0.01 -1.29 -0.01 0.00 0.36 0.00 0.00 54.97 54.04 1x4n s GLU 18 Cb -0.08 -3.86 -0.01 0.00 0.26 0.00 0.00 34.13 30.44 1x4n s GLU 18 CO 0.01 -0.88 -0.13 -0.47 -0.54 0.00 0.00 175.26 173.25 1x4n s TYR 19 N 1.53 2.82 0.14 5.30 5.04 -1.11 -4.96 117.35 126.10 1x4n s TYR 19 Ca 0.03 -0.90 -0.04 0.00 -2.44 0.00 0.00 57.07 53.72 1x4n s TYR 19 Cb -0.22 -1.91 -0.05 0.00 0.35 0.00 0.00 41.96 40.13 1x4n s TYR 19 CO 0.05 -0.40 0.35 0.15 -1.34 0.00 0.00 175.55 174.36 1x4n s LYS 20 N 0.78 3.59 0.09 4.97 1.02 -1.26 0.21 119.74 129.13 1x4n s LYS 20 Ca -0.05 -0.16 -0.06 0.00 0.02 0.00 0.00 55.97 55.73 1x4n s LYS 20 Cb -0.15 -2.87 -0.02 0.00 -0.52 0.00 0.00 37.83 34.27 1x4n s LYS 20 CO 0.01 0.48 0.12 0.14 -0.92 0.00 0.00 175.35 175.18 1x4n s VAL 21 N -1.65 0.15 -0.21 3.17 -7.23 -1.05 -4.94 120.40 108.64 1x4n s VAL 21 Ca 0.40 -1.48 -0.29 0.00 -1.81 0.00 0.00 61.98 58.80 1x4n s VAL 21 Cb -0.12 -1.53 -0.01 0.00 0.56 0.00 0.00 36.38 35.28 1x4n s VAL 21 CO 0.25 -0.70 1.30 -2.16 -0.31 0.00 0.00 175.10 173.49 1x4n s PRO 22 N -3.91 4.11 0.65 4.82 0.04 -1.26 -0.22 135.00 139.22 1x4n s PRO 22 Ca 0.09 1.54 0.31 0.00 0.04 0.00 0.00 61.00 62.97 1x4n s PRO 22 Cb 0.06 -3.82 1.66 0.00 0.04 0.00 0.00 34.50 32.44 1x4n s PRO 22 CO -0.08 -0.87 1.95 0.22 0.04 0.00 0.00 177.00 178.26 1x4n h ASP 23 N 8.72 0.00 0.24 6.66 3.58 -1.86 1.41 116.42 135.16 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 0.99 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.96 1x4n n GLY 24 N -1.26 -1.04 0.66 -0.78 0.00 -1.26 -3.54 105.19 97.97 1x4n n GLY 24 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.13 0.00 -0.29 1.61 2.81 0.46 -4.78 117.12 115.80 1x4n n MET 25 Ca 0.18 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 56.10 1x4n n MET 25 Cb 0.15 -0.61 0.11 0.00 -0.71 0.00 0.00 33.22 32.17 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 0.19 -1.30 2.03 3.04 -0.83 1.58 116.25 120.95 1x4n h VAL 26 Ca 0.00 -0.00 0.38 0.00 -1.01 0.00 0.00 66.70 66.07 1x4n h VAL 26 Cb 0.73 0.18 -0.07 0.00 -2.01 0.00 0.00 31.29 30.13 1x4n h VAL 26 CO 0.00 0.00 0.91 1.23 -1.01 0.00 0.00 177.57 178.70 1x4n h GLY 27 N 0.01 0.34 0.58 3.17 0.00 -1.81 1.11 103.07 106.46 1x4n h GLY 27 Ca 0.40 -0.05 -0.09 0.00 0.00 0.00 0.00 47.33 47.59 1x4n h GLY 27 CO -0.84 -0.07 -1.59 0.33 0.00 0.00 0.00 176.54 174.38 1x4n n PHE 28 N -4.27 0.57 -0.06 5.60 7.35 0.51 -4.07 117.46 123.08 1x4n n PHE 28 Ca 0.30 0.18 -0.03 0.00 -0.76 0.00 0.00 57.45 57.14 1x4n n PHE 28 Cb 1.33 -0.87 0.21 0.00 0.35 0.00 0.00 39.48 40.50 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 1.23 0.87 -2.13 2.04 0.46 -3.04 117.51 116.93 1x4n h ILE 29 Ca -0.12 -0.95 -0.04 0.00 1.00 0.00 0.00 64.86 64.75 1x4n h ILE 29 Cb 1.33 0.93 0.01 0.00 -0.74 0.00 0.00 36.82 38.35 1x4n h ILE 29 CO 0.02 0.33 -0.42 0.40 0.00 0.00 0.00 178.15 178.48 1x4n h ILE 30 N 0.64 0.12 0.00 -0.67 5.03 -1.28 -2.19 117.51 119.16 1x4n h ILE 30 Ca 0.13 -0.04 0.00 0.00 -0.12 0.00 0.00 64.86 64.82 1x4n h ILE 30 Cb 0.42 0.13 0.00 0.00 -3.03 0.00 0.00 36.82 34.34 1x4n h ILE 30 CO 0.02 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 178.10 1x4n n GLY 31 N -1.48 2.23 0.34 5.37 0.00 -1.15 -1.35 105.19 109.14 1x4n n GLY 31 Ca -0.15 -2.00 -0.10 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.23 -0.53 1.61 -0.00 -1.91 -1.90 114.38 111.42 1x4n h ARG 32 Ca 0.00 0.02 -0.26 0.00 -0.50 0.00 0.00 59.98 59.24 1x4n h ARG 32 Cb 0.00 0.05 -0.15 0.00 0.00 0.00 0.00 29.97 29.87 1x4n h ARG 32 CO 0.00 -0.15 0.13 0.41 0.00 0.00 0.00 179.97 180.36 1x4n n GLY 33 N -1.27 4.67 2.30 0.04 0.00 -1.26 -4.89 105.19 104.78 1x4n n GLY 33 Ca -0.02 -1.17 -0.14 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.03 0.15 0.09 -0.02 0.00 -0.71 -4.88 105.19 98.79 1x4n n GLY 34 Ca 0.40 -0.30 0.06 0.00 0.00 0.00 0.00 46.02 46.17 1x4n n GLY 34 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1x4n n GLU 35 N -2.41 0.62 -0.31 1.61 0.28 -1.11 -3.43 120.64 115.89 1x4n n GLU 35 Ca -0.16 0.11 -0.01 0.00 -0.16 0.00 0.00 57.16 56.94 1x4n n GLU 35 Cb 0.59 -1.76 0.17 0.00 1.43 0.00 0.00 31.44 31.87 1x4n n GLU 35 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 1x4n h GLN 36 N 0.00 1.17 0.08 3.44 5.75 -1.42 -1.82 115.11 122.30 1x4n h GLN 36 Ca -0.09 -0.07 -0.14 0.00 -0.15 0.00 0.00 58.65 58.19 1x4n h GLN 36 Cb 1.29 -0.26 0.02 0.00 1.07 0.00 0.00 27.48 29.59 1x4n h GLN 36 CO 0.02 0.78 -0.61 0.97 -2.65 0.00 0.00 178.83 177.33 1x4n h ILE 37 N 1.21 1.53 -0.91 2.39 6.09 -0.65 -3.26 117.51 123.91 1x4n h ILE 37 Ca 0.33 -2.35 0.26 0.00 -1.37 0.00 0.00 64.86 61.73 1x4n h ILE 37 Cb -0.14 3.04 -0.15 0.00 0.47 0.00 0.00 36.82 40.04 1x4n h ILE 37 CO -0.07 0.66 0.26 -1.28 -3.07 0.00 0.00 178.15 174.65 1x4n h SER 38 N -0.39 0.01 -0.55 2.19 0.87 -1.51 1.58 113.55 115.76 1x4n h SER 38 Ca -0.10 0.21 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 1x4n h SER 38 Cb 1.43 0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 63.64 1x4n h SER 38 CO 0.12 -0.20 0.29 -0.09 -0.53 0.00 0.00 176.83 176.42 1x4n h ARG 39 N 0.18 0.80 -0.11 2.24 2.43 -1.40 0.42 114.38 118.94 1x4n h ARG 39 Ca 0.60 -0.09 -0.19 0.00 -0.81 0.00 0.00 59.98 59.48 1x4n h ARG 39 Cb 1.26 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1x4n h ARG 39 CO -0.69 0.61 -0.72 0.82 -1.51 0.00 0.00 179.97 178.48 1x4n h ILE 40 N 0.81 1.35 -0.19 1.20 2.04 0.19 0.55 117.51 123.46 1x4n h ILE 40 Ca 0.20 -2.05 -0.14 0.00 1.00 0.00 0.00 64.86 63.87 1x4n h ILE 40 Cb 0.06 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 1x4n h ILE 40 CO -0.03 0.63 -0.49 1.56 0.00 0.00 0.00 178.15 179.82 1x4n h GLN 41 N 0.36 0.50 0.00 2.37 4.20 0.78 0.18 115.11 123.50 1x4n h GLN 41 Ca -0.03 -0.29 -0.21 0.00 0.06 0.00 0.00 58.65 58.18 1x4n h GLN 41 Cb 1.30 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 29.07 1x4n h GLN 41 CO 0.13 0.88 -1.13 1.96 -0.67 0.00 0.00 178.83 180.00 1x4n h GLN 42 N 0.39 0.00 -0.10 1.46 4.20 -0.11 0.40 115.11 121.35 1x4n h GLN 42 Ca 0.02 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 1x4n h GLN 42 Cb 1.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.78 1x4n h GLN 42 CO 0.09 0.74 -0.32 0.93 -0.67 0.00 0.00 178.83 179.60 1x4n h GLU 43 N 0.00 0.40 -0.20 1.46 4.39 0.24 -3.20 114.58 117.67 1x4n h GLU 43 Ca -0.09 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.32 1x4n h GLU 43 Cb 1.75 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.45 1x4n h GLU 43 CO 0.10 0.91 0.00 -1.13 -1.16 0.00 0.00 179.01 177.73 1x4n n SER 44 N -4.40 3.09 -3.00 1.42 3.41 0.04 -4.94 113.62 109.25 1x4n n SER 44 Ca -0.08 -1.96 -0.15 0.00 -0.26 0.00 0.00 58.87 56.43 1x4n n SER 44 Cb 0.49 -0.12 -0.01 0.00 -0.26 0.00 0.00 64.21 64.31 1x4n n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4n n GLY 45 N 1.41 -0.48 3.59 5.00 0.00 0.13 -4.58 105.19 110.26 1x4n n GLY 45 Ca 0.17 0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.13 4.12 -0.17 0.00 2.20 -1.09 -4.40 119.74 117.27 1x4n s LYS 47 Ca 0.27 0.59 -0.02 0.00 -0.36 0.00 0.00 55.97 56.46 1x4n s LYS 47 Cb -0.08 -3.26 0.05 0.00 -1.51 0.00 0.00 37.83 33.04 1x4n s LYS 47 CO 0.17 0.60 0.01 0.42 -0.36 0.00 0.00 175.35 176.19 1x4n s ILE 48 N -0.89 0.66 -0.41 5.43 1.01 -1.26 -2.58 121.20 123.16 1x4n s ILE 48 Ca 0.27 -0.50 -0.03 0.00 0.00 0.00 0.00 60.65 60.39 1x4n s ILE 48 Cb -0.18 -1.04 0.11 0.00 0.01 0.00 0.00 42.46 41.36 1x4n s ILE 48 CO 0.16 -0.06 0.20 -1.10 0.00 0.00 0.00 174.94 174.14 1x4n s GLN 49 N 1.81 1.98 -0.09 2.79 -0.21 0.64 -4.98 119.66 121.60 1x4n s GLN 49 Ca 0.00 -1.83 -0.13 0.00 0.02 0.00 0.00 55.36 53.43 1x4n s GLN 49 Cb -0.16 -3.57 -0.05 0.00 1.00 0.00 0.00 33.01 30.23 1x4n s GLN 49 CO -0.07 -1.07 0.31 0.42 -2.12 0.00 0.00 175.29 172.76 1x4n s ILE 50 N 1.13 5.24 0.73 1.08 1.01 -1.26 -0.56 121.20 128.57 1x4n s ILE 50 Ca 0.08 0.60 -0.14 0.00 0.00 0.00 0.00 60.65 61.20 1x4n s ILE 50 Cb -0.23 -3.62 0.04 0.00 0.01 0.00 0.00 42.46 38.66 1x4n s ILE 50 CO -0.04 0.50 1.15 0.00 0.00 0.00 0.00 174.94 176.54 1x4n s ALA 51 N -0.38 2.19 -0.09 9.38 0.00 -1.24 -4.92 121.76 126.70 1x4n s ALA 51 Ca 0.19 0.63 0.25 0.00 0.00 0.00 0.00 51.96 53.03 1x4n s ALA 51 Cb -0.14 -3.38 0.73 0.00 0.00 0.00 0.00 23.12 20.33 1x4n s ALA 51 CO 0.08 -1.75 1.75 -1.00 0.00 0.00 0.00 175.76 174.83 1x4n h PRO 52 N -0.50 0.00 -1.43 0.00 0.13 -1.97 -3.42 132.00 124.81 1x4n h PRO 52 Ca -0.46 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.72 1x4n h PRO 52 Cb 1.26 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.18 1x4n h PRO 52 CO 0.50 0.14 -0.26 0.34 -0.23 0.00 0.00 178.00 178.50 1x4n s ASP 53 N -6.11 -1.12 -0.83 1.44 2.15 -1.26 -5.04 116.67 105.91 1x4n s ASP 53 Ca 0.03 1.01 -0.05 0.00 0.43 0.00 0.00 52.55 53.97 1x4n s ASP 53 Cb 0.08 2.07 -0.06 0.00 -0.30 0.00 0.00 42.92 44.71 1x4n s ASP 53 CO 0.64 -0.25 2.08 -1.54 -0.17 0.00 0.00 175.17 175.93 1x4n n SER 54 N 5.43 4.67 0.00 -0.34 3.41 -1.26 -4.85 113.62 120.67 1x4n n SER 54 Ca -0.05 -2.29 0.00 0.00 -0.26 0.00 0.00 58.87 56.27 1x4n n SER 54 Cb 0.50 -1.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 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 3.70 0.92 0.49 5.00 0.00 -1.26 -0.73 105.19 113.32 1x4n n GLY 55 Ca 0.42 0.66 0.01 0.00 0.00 0.00 0.00 46.02 47.10 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 0.89 3.89 -0.02 0.00 -1.26 -5.09 105.19 103.60 1x4n n GLY 56 Ca 0.00 -0.12 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.25 3.71 0.22 0.99 2.01 0.10 -4.99 118.68 120.46 1x4n s LEU 57 Ca 0.04 1.01 0.09 0.00 0.01 0.00 0.00 54.13 55.28 1x4n s LEU 57 Cb 0.04 -3.94 0.15 0.00 0.01 0.00 0.00 46.19 42.45 1x4n s LEU 57 CO -0.00 -0.50 1.49 1.55 1.01 0.00 0.00 176.35 179.90 1x4n h PRO 58 N 0.67 0.01 -5.81 1.29 0.13 -1.95 -3.44 132.00 122.90 1x4n h PRO 58 Ca -0.47 -0.01 -0.67 0.00 -0.87 0.00 0.00 66.00 63.98 1x4n h PRO 58 Cb 1.20 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.13 1x4n h PRO 58 CO 0.63 0.76 -0.68 -1.21 -0.23 0.00 0.00 178.00 177.26 1x4n s GLU 59 N -3.30 3.11 -0.30 0.86 2.02 -1.26 -2.69 118.70 117.13 1x4n s GLU 59 Ca -0.01 -0.53 -0.18 0.00 0.02 0.00 0.00 54.97 54.27 1x4n s GLU 59 Cb 0.12 -2.72 -0.02 0.00 0.10 0.00 0.00 34.13 31.61 1x4n s GLU 59 CO 0.78 0.51 0.54 0.50 0.02 0.00 0.00 175.26 177.61 1x4n s ARG 60 N -0.38 3.88 0.34 1.61 3.52 0.69 -4.76 118.95 123.86 1x4n s ARG 60 Ca 0.06 0.15 -0.28 0.00 -0.13 0.00 0.00 55.73 55.53 1x4n s ARG 60 Cb -0.12 -3.72 -0.10 0.00 -1.56 0.00 0.00 34.95 29.44 1x4n s ARG 60 CO 0.02 -0.50 1.32 0.45 -0.81 0.00 0.00 175.30 175.78 1x4n s SER 61 N 1.65 6.68 -0.26 -2.12 0.15 -1.26 -2.52 113.70 116.01 1x4n s SER 61 Ca 0.21 2.72 0.00 0.00 0.70 0.00 0.00 55.95 59.59 1x4n s SER 61 Cb -0.15 -2.65 0.08 0.00 -1.71 0.00 0.00 66.02 61.58 1x4n s SER 61 CO 0.11 -0.60 0.01 0.00 1.20 0.00 0.00 173.24 173.96 1x4n s MET 63 N 1.46 4.01 0.12 0.00 -1.94 0.27 -2.77 119.30 120.46 1x4n s MET 63 Ca 0.01 1.11 -0.03 0.00 -1.71 0.00 0.00 55.69 55.07 1x4n s MET 63 Cb -0.18 -3.79 -0.05 0.00 2.01 0.00 0.00 34.83 32.82 1x4n s MET 63 CO -0.12 -0.98 0.33 -0.51 -0.01 0.00 0.00 175.02 173.73 1x4n s LEU 64 N 3.88 4.29 -0.06 -0.03 1.02 -0.93 -0.26 118.68 126.60 1x4n s LEU 64 Ca 0.49 0.48 -0.01 0.00 0.02 0.00 0.00 54.13 55.11 1x4n s LEU 64 Cb -0.13 -3.20 0.03 0.00 0.02 0.00 0.00 46.19 42.90 1x4n s LEU 64 CO 0.18 0.08 0.02 -0.89 0.02 0.00 0.00 176.35 175.76 1x4n s THR 65 N -1.63 0.20 -3.78 5.49 2.01 -1.07 -2.97 115.64 113.89 1x4n s THR 65 Ca 0.39 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.61 1x4n s THR 65 Cb -0.12 -0.38 0.00 0.00 0.01 0.00 0.00 72.50 72.01 1x4n s THR 65 CO 0.26 0.22 0.00 0.61 -0.69 0.00 0.00 174.62 175.02 1x4n n GLY 66 N 5.07 0.11 3.96 4.40 0.00 -0.68 -2.68 105.19 115.36 1x4n n GLY 66 Ca -0.08 -1.12 -0.25 0.00 0.00 0.00 0.00 46.02 44.57 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 -4.00 2.18 0.09 2.61 -4.23 -1.26 0.52 115.64 111.55 1x4n s THR 67 Ca 0.00 -0.41 -0.13 0.00 -1.18 0.00 0.00 61.69 59.97 1x4n s THR 67 Cb 0.00 -2.77 -0.20 0.00 1.34 0.00 0.00 72.50 70.87 1x4n s THR 67 CO 0.00 0.00 1.24 1.55 -0.54 0.00 0.00 174.62 176.87 1x4n h PRO 68 N -0.72 0.71 -0.49 3.99 0.13 -1.96 -1.24 132.00 132.41 1x4n h PRO 68 Ca -0.40 -0.69 -0.03 0.00 -0.87 0.00 0.00 66.00 64.00 1x4n h PRO 68 Cb 1.27 0.18 -0.02 0.00 0.13 0.00 0.00 31.00 32.56 1x4n h PRO 68 CO 0.45 1.28 0.18 1.05 -0.23 0.00 0.00 178.00 180.73 1x4n h GLU 69 N 0.43 0.71 -0.01 0.86 4.11 -1.98 0.28 114.58 118.98 1x4n h GLU 69 Ca -0.10 -0.11 -0.11 0.00 0.07 0.00 0.00 59.36 59.11 1x4n h GLU 69 Cb 1.59 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 30.72 1x4n h GLU 69 CO 0.19 0.60 -0.42 0.66 0.07 0.00 0.00 179.01 180.10 1x4n h SER 70 N 0.70 0.39 -0.47 3.06 4.64 -1.80 -1.74 113.55 118.32 1x4n h SER 70 Ca 0.17 -0.75 0.02 0.00 -0.47 0.00 0.00 61.79 60.75 1x4n h SER 70 Cb 0.17 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.11 1x4n h SER 70 CO -0.01 1.09 0.29 0.58 -0.87 0.00 0.00 176.83 177.91 1x4n h VAL 71 N -0.27 1.07 0.78 0.95 2.07 -0.93 0.68 116.25 120.59 1x4n h VAL 71 Ca -0.05 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 1x4n h VAL 71 Cb 1.14 0.43 0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1x4n h VAL 71 CO 0.08 0.11 -0.37 1.56 0.02 0.00 0.00 177.57 178.97 1x4n h GLN 72 N 0.59 -1.00 -0.25 1.57 4.20 -0.50 0.04 115.11 119.75 1x4n h GLN 72 Ca 0.19 0.07 0.05 0.00 0.06 0.00 0.00 58.65 59.01 1x4n h GLN 72 Cb -0.01 0.23 -0.07 0.00 0.30 0.00 0.00 27.48 27.93 1x4n h GLN 72 CO -0.07 -0.66 -0.47 0.77 -0.67 0.00 0.00 178.83 177.72 1x4n h SER 73 N -1.08 -1.53 -0.43 1.46 0.02 -1.14 -0.07 113.55 110.78 1x4n h SER 73 Ca -0.11 0.20 0.09 0.00 -0.84 0.00 0.00 61.79 61.13 1x4n h SER 73 Cb 0.81 0.63 -0.09 0.00 0.14 0.00 0.00 62.40 63.88 1x4n h SER 73 CO 0.17 -0.43 -0.28 0.00 -1.14 0.00 0.00 176.83 175.16 1x4n h ALA 74 N 0.07 -0.05 -0.54 3.77 0.00 -0.82 -0.64 119.26 121.05 1x4n h ALA 74 Ca 0.08 0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.20 1x4n h ALA 74 Cb 0.63 0.63 -0.10 0.00 0.00 0.00 0.00 17.79 18.95 1x4n h ALA 74 CO -0.49 -0.66 -0.48 0.87 0.00 0.00 0.00 179.25 178.50 1x4n h LYS 75 N -0.20 -0.26 -0.82 0.00 1.57 0.41 0.46 116.57 117.73 1x4n h LYS 75 Ca 0.19 0.02 0.20 0.00 -1.87 0.00 0.00 60.65 59.19 1x4n h LYS 75 Cb 0.51 0.06 -0.14 0.00 0.08 0.00 0.00 32.23 32.74 1x4n h LYS 75 CO -0.54 -0.17 0.10 0.00 -0.57 0.00 0.00 179.45 178.26 1x4n h ARG 76 N -0.27 0.14 0.14 3.15 2.47 0.42 1.36 114.38 121.80 1x4n h ARG 76 Ca 0.15 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.85 1x4n h ARG 76 Cb 0.57 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.86 1x4n h ARG 76 CO -0.67 0.09 -0.07 -0.07 0.56 0.00 0.00 179.97 179.81 1x4n h LEU 77 N 0.14 -0.16 -0.43 3.04 3.38 0.54 0.79 115.31 122.61 1x4n h LEU 77 Ca 0.48 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.41 1x4n h LEU 77 Cb 0.90 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 1x4n h LEU 77 CO -0.68 -0.02 0.17 -0.07 0.09 0.00 0.00 178.44 177.94 1x4n h LEU 78 N -0.31 0.21 0.29 1.67 3.38 0.27 -2.36 115.31 118.46 1x4n h LEU 78 Ca -0.02 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1x4n h LEU 78 Cb 0.24 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1x4n h LEU 78 CO 0.03 0.16 -0.14 -0.78 0.09 0.00 0.00 178.44 177.80 1x4n h ASP 79 N 0.35 -0.33 -0.92 -0.43 3.58 0.19 -2.59 116.42 116.28 1x4n h ASP 79 Ca 0.20 -0.03 0.28 0.00 0.42 0.00 0.00 57.03 57.89 1x4n h ASP 79 Cb 0.16 0.08 -0.17 0.00 1.72 0.00 0.00 39.33 41.13 1x4n h ASP 79 CO -0.18 -0.18 0.12 0.00 -2.88 0.00 0.00 179.24 176.12 1x4n n GLN 80 N -5.23 -0.07 0.12 0.28 3.00 0.27 0.19 117.38 115.94 1x4n n GLN 80 Ca -0.10 1.35 -0.13 0.00 -0.01 0.00 0.00 57.00 58.12 1x4n n GLN 80 Cb 0.19 -2.20 -0.06 0.00 0.00 0.00 0.00 30.24 28.17 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 0.59 -0.02 5.09 2.04 -1.04 1.07 117.51 125.24 1x4n h ILE 81 Ca 0.60 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.46 1x4n h ILE 81 Cb 1.34 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1x4n h ILE 81 CO -0.83 0.00 0.00 0.58 0.00 0.00 0.00 178.15 177.90 1x4n h VAL 82 N -0.37 1.21 -0.88 1.67 2.07 0.15 -0.26 116.25 119.84 1x4n h VAL 82 Ca 0.02 -0.62 0.13 0.00 0.82 0.00 0.00 66.70 67.05 1x4n h VAL 82 Cb 0.37 1.58 -0.09 0.00 -1.52 0.00 0.00 31.29 31.64 1x4n h VAL 82 CO -0.08 0.16 0.50 -0.08 0.02 0.00 0.00 177.57 178.09 1x4n h GLU 83 N -0.21 0.74 0.65 1.57 4.81 0.23 1.22 114.58 123.59 1x4n h GLU 83 Ca 0.01 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1x4n h GLU 83 Cb 0.26 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 29.48 1x4n h GLU 83 CO 0.00 0.49 -0.31 0.87 -0.73 0.00 0.00 179.01 179.33 1x4n h LYS 84 N 0.76 -0.84 -1.95 1.92 1.57 0.14 -3.23 116.57 114.95 1x4n h LYS 84 Ca 0.45 0.06 -0.70 0.00 -1.87 0.00 0.00 60.65 58.59 1x4n h LYS 84 Cb 0.54 0.19 -0.25 0.00 0.08 0.00 0.00 32.23 32.79 1x4n h LYS 84 CO -0.30 -0.56 0.90 0.41 -0.57 0.00 0.00 179.45 179.32 1x4n n GLY 85 N -0.83 5.25 0.07 3.86 0.00 -0.13 -3.66 105.19 109.76 1x4n n GLY 85 Ca -0.11 -2.32 -0.13 0.00 0.00 0.00 0.00 46.02 43.47 1x4n n GLY 85 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1x4n h ARG 86 N 2.93 -0.02 0.00 1.61 2.43 0.15 -3.46 114.38 118.02 1x4n h ARG 86 Ca 0.53 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.70 1x4n h ARG 86 Cb 0.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1x4n h ARG 86 CO 1.31 0.73 0.00 0.43 -1.51 0.00 0.00 179.97 180.93 1x4n n SER 87 N -4.72 -0.86 -3.54 -3.80 7.64 -1.26 -5.05 113.62 102.02 1x4n n SER 87 Ca -0.09 0.40 -0.29 0.00 1.01 0.00 0.00 58.87 59.90 1x4n n SER 87 Cb 0.37 0.96 -0.14 0.00 -1.01 0.00 0.00 64.21 64.39 1x4n n SER 87 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4n s GLY 88 N -4.17 0.65 -0.07 0.23 0.00 -1.26 -5.01 107.32 97.68 1x4n s GLY 88 Ca 0.00 -1.35 -0.19 0.00 0.00 0.00 0.00 44.72 43.18 1x4n s GLY 88 CO 0.00 2.03 0.72 -0.56 0.00 0.00 0.00 173.10 175.29 1x4n h PRO 89 N 8.02 -0.16 -0.71 2.90 0.13 -1.92 -3.48 132.00 136.78 1x4n h PRO 89 Ca -0.13 0.01 0.20 0.00 -0.87 0.00 0.00 66.00 65.21 1x4n h PRO 89 Cb 1.00 0.04 -0.25 0.00 0.13 0.00 0.00 31.00 31.92 1x4n h PRO 89 CO 0.40 0.29 0.30 -1.12 -0.23 0.00 0.00 178.00 177.64 1x4n s SER 90 N -5.58 -0.44 0.00 1.44 0.01 -1.26 -5.02 113.70 102.85 1x4n s SER 90 Ca -0.12 0.57 0.00 0.00 1.31 0.00 0.00 55.95 57.71 1x4n s SER 90 Cb -0.00 1.48 0.00 0.00 0.21 0.00 0.00 66.02 67.71 1x4n s SER 90 CO 0.43 -0.08 0.00 -1.20 0.41 0.00 0.00 173.24 172.80 1x4n n SER 91 N 4.91 0.00 0.00 2.44 7.64 -1.26 -5.24 113.62 122.10 1x4n n SER 91 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.80 1x4n n SER 91 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1x4n n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64