#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4n n SER 2 N 0.00 -7.27 -3.15 1.61 3.41 -1.26 -5.03 113.62 101.94 1x4n n SER 2 Ca 0.00 -0.30 0.04 0.00 -0.26 0.00 0.00 58.87 58.35 1x4n n SER 2 Cb 0.00 -4.96 -0.01 0.00 -0.26 0.00 0.00 64.21 58.98 1x4n n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x4n s SER 3 N -3.10 -1.15 0.00 4.04 0.01 -1.26 -5.10 113.70 107.15 1x4n s SER 3 Ca 0.11 0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.84 1x4n s SER 3 Cb -0.02 1.86 0.00 0.00 0.21 0.00 0.00 66.02 68.07 1x4n s SER 3 CO 0.76 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.81 1x4n n GLY 4 N 5.40 -1.68 3.63 3.44 0.00 -1.26 -5.17 105.19 109.55 1x4n n GLY 4 Ca 0.01 0.95 -0.11 0.00 0.00 0.00 0.00 46.02 46.87 1x4n n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4n s SER 5 N 0.00 -0.52 0.03 1.61 1.04 -1.26 -5.18 113.70 109.42 1x4n s SER 5 Ca 0.00 0.99 0.01 0.00 0.48 0.00 0.00 55.95 57.43 1x4n s SER 5 Cb 0.00 0.99 -0.02 0.00 0.10 0.00 0.00 66.02 67.09 1x4n s SER 5 CO 0.00 -0.19 -0.06 -0.94 0.98 0.00 0.00 173.24 173.03 1x4n s SER 6 N 0.17 0.60 -0.33 7.02 1.04 -1.26 -5.10 113.70 115.84 1x4n s SER 6 Ca 0.02 -0.48 -0.08 0.00 0.48 0.00 0.00 55.95 55.88 1x4n s SER 6 Cb -0.05 0.05 0.21 0.00 0.10 0.00 0.00 66.02 66.33 1x4n s SER 6 CO -0.04 -0.21 1.11 -0.83 0.98 0.00 0.00 173.24 174.24 1x4n s GLY 7 N -1.39 -1.85 -0.30 7.32 0.00 -1.26 -5.15 107.32 104.69 1x4n s GLY 7 Ca -0.11 0.82 -0.17 0.00 0.00 0.00 0.00 44.72 45.26 1x4n s GLY 7 CO -0.00 4.34 1.32 0.30 0.00 0.00 0.00 173.10 179.06 1x4n s HIS 8 N 1.24 -0.01 0.41 1.90 0.09 -1.26 -5.09 115.29 112.58 1x4n s HIS 8 Ca 0.21 0.02 0.00 0.00 -0.00 0.00 0.00 55.06 55.29 1x4n s HIS 8 Cb 0.11 0.07 0.00 0.00 -0.00 0.00 0.00 32.58 32.76 1x4n s HIS 8 CO -0.12 -0.00 0.00 1.04 -0.00 0.00 0.00 174.74 175.66 1x4n n GLN 9 N 2.82 0.00 -1.89 1.40 3.00 -1.26 -5.15 117.38 116.29 1x4n n GLN 9 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 1x4n n GLN 9 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.80 1x4n n GLN 9 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1x4n n GLN 10 N -3.37 -4.55 -2.32 -1.09 6.02 -1.26 -4.97 117.38 105.84 1x4n n GLN 10 Ca 0.00 3.33 -0.32 0.00 -0.01 0.00 0.00 57.00 60.00 1x4n n GLN 10 Cb 0.00 -3.68 -0.02 0.00 1.02 0.00 0.00 30.24 27.56 1x4n n GLN 10 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1x4n s GLN 11 N -0.99 3.86 0.31 -1.09 0.74 -1.26 -5.08 119.66 116.15 1x4n s GLN 11 Ca 0.00 0.88 0.04 0.00 0.05 0.00 0.00 55.36 56.32 1x4n s GLN 11 Cb 0.00 -2.14 -0.03 0.00 1.10 0.00 0.00 33.01 31.93 1x4n s GLN 11 CO 0.00 -0.32 0.19 1.03 -0.55 0.00 0.00 175.29 175.64 1x4n s ARG 12 N -4.29 1.62 0.90 1.67 0.52 -1.26 -5.17 118.95 112.95 1x4n s ARG 12 Ca 0.57 -1.93 -0.14 0.00 -0.52 0.00 0.00 55.73 53.71 1x4n s ARG 12 Cb -0.10 0.04 0.15 0.00 0.52 0.00 0.00 34.95 35.56 1x4n s ARG 12 CO 0.36 -0.51 1.25 -1.12 0.02 0.00 0.00 175.30 175.31 1x4n s SER 13 N -3.36 3.64 0.31 0.23 0.01 -1.26 -4.99 113.70 108.27 1x4n s SER 13 Ca 0.37 0.51 -0.23 0.00 1.31 0.00 0.00 55.95 57.91 1x4n s SER 13 Cb 0.04 -0.77 -0.10 0.00 0.21 0.00 0.00 66.02 65.41 1x4n s SER 13 CO 0.20 -2.43 0.87 -0.69 0.41 0.00 0.00 173.24 171.60 1x4n s VAL 14 N -3.72 4.37 0.22 3.43 1.01 -1.26 -4.70 120.40 119.76 1x4n s VAL 14 Ca 0.69 1.56 0.08 0.00 0.00 0.00 0.00 61.98 64.30 1x4n s VAL 14 Cb -0.07 -3.88 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 1x4n s VAL 14 CO 0.51 0.07 -0.13 0.00 0.00 0.00 0.00 175.10 175.55 1x4n s MET 15 N -2.27 1.37 -0.12 2.72 0.23 -0.99 -4.91 119.30 115.32 1x4n s MET 15 Ca 0.50 -1.62 0.01 0.00 -1.03 0.00 0.00 55.69 53.55 1x4n s MET 15 Cb -0.16 -1.12 0.02 0.00 -1.53 0.00 0.00 34.83 32.04 1x4n s MET 15 CO 0.21 0.16 -0.14 0.99 -2.03 0.00 0.00 175.02 174.21 1x4n s THR 16 N -2.98 1.43 0.44 3.16 2.01 -1.26 -2.52 115.64 115.92 1x4n s THR 16 Ca 0.24 -0.58 0.06 0.00 0.31 0.00 0.00 61.69 61.71 1x4n s THR 16 Cb 0.00 -1.34 -0.05 0.00 0.01 0.00 0.00 72.50 71.12 1x4n s THR 16 CO 0.08 0.43 0.07 -0.70 -0.69 0.00 0.00 174.62 173.81 1x4n s GLU 17 N 1.20 2.09 -0.34 4.92 2.12 -1.11 -4.98 118.70 122.60 1x4n s GLU 17 Ca -0.02 -2.10 0.02 0.00 0.36 0.00 0.00 54.97 53.23 1x4n s GLU 17 Cb -0.14 -1.73 0.10 0.00 0.26 0.00 0.00 34.13 32.62 1x4n s GLU 17 CO -0.05 -0.16 0.09 -2.00 -0.54 0.00 0.00 175.26 172.60 1x4n s GLU 18 N -3.83 1.18 -0.24 4.30 2.12 -1.26 -2.70 118.70 118.27 1x4n s GLU 18 Ca 0.31 -1.60 -0.09 0.00 0.36 0.00 0.00 54.97 53.95 1x4n s GLU 18 Cb 0.06 -2.67 -0.04 0.00 0.26 0.00 0.00 34.13 31.74 1x4n s GLU 18 CO 0.16 -0.98 0.11 -0.47 -0.54 0.00 0.00 175.26 173.54 1x4n s TYR 19 N 1.10 3.18 0.05 5.30 5.04 -0.79 -4.94 117.35 126.29 1x4n s TYR 19 Ca 0.11 -0.10 -0.11 0.00 -2.44 0.00 0.00 57.07 54.53 1x4n s TYR 19 Cb -0.19 -2.24 -0.06 0.00 0.35 0.00 0.00 41.96 39.82 1x4n s TYR 19 CO -0.14 -0.15 0.38 0.15 -1.34 0.00 0.00 175.55 174.46 1x4n s LYS 20 N 1.31 3.78 0.07 4.97 1.02 -1.26 -0.68 119.74 128.94 1x4n s LYS 20 Ca 0.06 0.21 0.00 0.00 0.02 0.00 0.00 55.97 56.26 1x4n s LYS 20 Cb -0.15 -3.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.06 1x4n s LYS 20 CO 0.05 0.61 -0.05 0.14 -0.92 0.00 0.00 175.35 175.18 1x4n s VAL 21 N -1.29 0.42 -0.21 3.17 -7.23 -1.10 -4.94 120.40 109.22 1x4n s VAL 21 Ca 0.30 -1.75 -0.29 0.00 -1.81 0.00 0.00 61.98 58.43 1x4n s VAL 21 Cb -0.15 -1.44 -0.01 0.00 0.56 0.00 0.00 36.38 35.35 1x4n s VAL 21 CO 0.16 -0.88 1.30 -2.16 -0.31 0.00 0.00 175.10 173.22 1x4n s PRO 22 N -3.56 4.10 0.55 4.82 0.04 -1.26 0.55 135.00 140.23 1x4n s PRO 22 Ca 0.06 1.52 0.31 0.00 0.04 0.00 0.00 61.00 62.93 1x4n s PRO 22 Cb 0.04 -3.82 1.47 0.00 0.04 0.00 0.00 34.50 32.23 1x4n s PRO 22 CO -0.07 -0.89 1.90 0.22 0.04 0.00 0.00 177.00 178.20 1x4n h ASP 23 N 8.75 0.00 0.29 6.66 3.58 -1.87 1.65 116.42 135.48 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 1.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.15 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 -1.67 -0.77 0.02 -0.78 0.00 -1.26 -3.15 105.19 97.58 1x4n n GLY 24 Ca 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.34 0.00 -0.28 1.61 2.81 0.51 -4.77 117.12 115.66 1x4n n MET 25 Ca 0.05 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 55.97 1x4n n MET 25 Cb 0.11 -0.87 0.10 0.00 -0.71 0.00 0.00 33.22 31.86 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 0.20 -1.00 2.03 3.04 0.09 1.78 116.25 122.39 1x4n h VAL 26 Ca 0.00 -0.00 0.29 0.00 -1.01 0.00 0.00 66.70 65.98 1x4n h VAL 26 Cb 0.76 0.20 -0.04 0.00 -2.01 0.00 0.00 31.29 30.20 1x4n h VAL 26 CO 0.00 0.00 0.72 1.23 -1.01 0.00 0.00 177.57 178.51 1x4n h GLY 27 N 0.00 0.03 0.58 3.17 0.00 -1.79 0.62 103.07 105.68 1x4n h GLY 27 Ca 0.39 -0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.63 1x4n h GLY 27 CO -0.82 -0.00 -1.56 0.33 0.00 0.00 0.00 176.54 174.49 1x4n n PHE 28 N -4.25 0.57 -0.22 5.60 7.35 0.55 -4.14 117.46 122.93 1x4n n PHE 28 Ca 0.21 0.18 -0.08 0.00 -0.76 0.00 0.00 57.45 57.00 1x4n n PHE 28 Cb 1.06 -0.85 0.03 0.00 0.35 0.00 0.00 39.48 40.07 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 1.25 0.60 -2.13 2.04 0.55 -3.09 117.51 116.72 1x4n h ILE 29 Ca -0.09 -0.86 -0.02 0.00 1.00 0.00 0.00 64.86 64.89 1x4n h ILE 29 Cb 1.26 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 1x4n h ILE 29 CO 0.01 0.32 -0.50 0.40 0.00 0.00 0.00 178.15 178.39 1x4n h ILE 30 N 0.87 0.00 0.00 -0.67 5.03 -1.42 -2.64 117.51 118.69 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 0.31 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.10 1x4n h ILE 30 CO -0.00 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 178.08 1x4n n GLY 31 N -1.58 -3.31 3.56 5.37 0.00 -1.17 -0.58 105.19 107.49 1x4n n GLY 31 Ca -0.13 -1.99 -0.40 0.00 0.00 0.00 0.00 46.02 43.51 1x4n n GLY 31 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x4n s ARG 32 N -0.69 2.91 -0.01 1.61 3.00 -1.26 -2.06 118.95 122.46 1x4n s ARG 32 Ca 0.00 0.70 0.00 0.00 -1.00 0.00 0.00 55.73 55.43 1x4n s ARG 32 Cb 0.00 -4.29 0.00 0.00 0.00 0.00 0.00 34.95 30.66 1x4n s ARG 32 CO 0.00 -2.39 0.00 0.41 0.00 0.00 0.00 175.30 173.32 1x4n n GLY 33 N 5.55 0.47 1.88 8.12 0.00 -1.26 -3.38 105.19 116.56 1x4n n GLY 33 Ca 0.19 -0.27 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.96 0.67 0.10 -0.02 0.00 -0.88 -4.97 105.19 97.14 1x4n n GLY 34 Ca -0.00 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.28 0.67 -0.05 1.61 0.28 -0.97 -2.90 120.64 118.00 1x4n n GLU 35 Ca -0.00 0.24 0.06 0.00 -0.16 0.00 0.00 57.16 57.30 1x4n n GLU 35 Cb 0.51 -1.72 0.44 0.00 1.43 0.00 0.00 31.44 32.10 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 0.02 0.53 0.18 3.44 5.75 -1.03 -1.91 115.11 122.08 1x4n h GLN 36 Ca -0.37 -0.03 -0.34 0.00 -0.15 0.00 0.00 58.65 57.76 1x4n h GLN 36 Cb 2.04 -0.12 0.01 0.00 1.07 0.00 0.00 27.48 30.48 1x4n h GLN 36 CO 0.07 0.35 -1.67 0.97 -2.65 0.00 0.00 178.83 175.90 1x4n h ILE 37 N 0.54 1.03 -0.69 2.39 6.09 -0.86 -3.31 117.51 122.69 1x4n h ILE 37 Ca 0.21 -2.61 0.14 0.00 -1.37 0.00 0.00 64.86 61.22 1x4n h ILE 37 Cb 0.14 2.79 -0.13 0.00 0.47 0.00 0.00 36.82 40.09 1x4n h ILE 37 CO -0.05 0.84 -0.21 -1.28 -3.07 0.00 0.00 178.15 174.38 1x4n h SER 38 N 0.10 -0.76 -0.78 2.19 0.87 -1.23 1.27 113.55 115.21 1x4n h SER 38 Ca -0.31 0.22 0.04 0.00 -1.23 0.00 0.00 61.79 60.51 1x4n h SER 38 Cb 2.09 0.47 -0.05 0.00 -0.44 0.00 0.00 62.40 64.47 1x4n h SER 38 CO 0.19 -0.25 0.51 -0.09 -0.53 0.00 0.00 176.83 176.66 1x4n h ARG 39 N -0.03 0.90 -0.22 2.24 2.43 -1.54 0.62 114.38 118.78 1x4n h ARG 39 Ca 0.32 -0.05 -0.18 0.00 -0.81 0.00 0.00 59.98 59.26 1x4n h ARG 39 Cb 0.53 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1x4n h ARG 39 CO -0.73 0.60 -0.59 0.82 -1.51 0.00 0.00 179.97 178.56 1x4n h ILE 40 N 0.93 1.30 -0.15 1.20 2.04 0.38 0.73 117.51 123.94 1x4n h ILE 40 Ca 0.32 -1.81 -0.13 0.00 1.00 0.00 0.00 64.86 64.23 1x4n h ILE 40 Cb 0.09 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 1x4n h ILE 40 CO -0.10 0.58 -0.46 1.56 0.00 0.00 0.00 178.15 179.73 1x4n h GLN 41 N 0.53 0.37 0.02 2.37 4.20 0.25 -0.53 115.11 122.33 1x4n h GLN 41 Ca 0.00 -0.20 -0.25 0.00 0.06 0.00 0.00 58.65 58.26 1x4n h GLN 41 Cb 1.17 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.93 1x4n h GLN 41 CO 0.12 0.76 -1.29 1.96 -0.67 0.00 0.00 178.83 179.71 1x4n h GLN 42 N 0.30 0.05 -0.08 1.46 1.08 0.32 0.22 115.11 118.46 1x4n h GLN 42 Ca 0.02 -0.08 -0.03 0.00 -1.45 0.00 0.00 58.65 57.12 1x4n h GLN 42 Cb 0.93 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.39 1x4n h GLN 42 CO 0.08 0.88 -0.05 0.93 -0.95 0.00 0.00 178.83 179.71 1x4n h GLU 43 N 0.01 0.17 -0.02 1.46 4.39 0.62 -3.10 114.58 118.12 1x4n h GLU 43 Ca -0.13 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1x4n h GLU 43 Cb 1.88 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.53 1x4n h GLU 43 CO 0.12 0.57 -0.14 -1.13 -1.16 0.00 0.00 179.01 177.27 1x4n n SER 44 N -4.74 1.74 -3.44 1.42 3.41 -0.22 -4.93 113.62 106.86 1x4n n SER 44 Ca -0.07 -1.43 -0.24 0.00 -0.26 0.00 0.00 58.87 56.87 1x4n n SER 44 Cb 0.28 0.11 -0.00 0.00 -0.26 0.00 0.00 64.21 64.33 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 1.29 -0.48 3.33 5.00 0.00 0.63 -4.56 105.19 110.39 1x4n n GLY 45 Ca 0.15 0.10 -0.26 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.03 4.24 -0.25 0.00 2.20 0.17 -4.36 119.74 119.71 1x4n s LYS 47 Ca 0.10 0.85 -0.02 0.00 -0.36 0.00 0.00 55.97 56.54 1x4n s LYS 47 Cb -0.10 -2.90 0.08 0.00 -1.51 0.00 0.00 37.83 33.40 1x4n s LYS 47 CO 0.05 0.41 0.07 0.42 -0.36 0.00 0.00 175.35 175.94 1x4n s ILE 48 N -1.50 0.65 -0.53 5.43 1.01 -1.26 -1.62 121.20 123.39 1x4n s ILE 48 Ca 0.42 -0.95 -0.15 0.00 0.00 0.00 0.00 60.65 59.97 1x4n s ILE 48 Cb -0.17 -1.32 0.13 0.00 0.01 0.00 0.00 42.46 41.11 1x4n s ILE 48 CO 0.21 -0.45 0.47 -1.10 0.00 0.00 0.00 174.94 174.07 1x4n s GLN 49 N 1.76 2.89 0.02 2.79 -1.52 0.76 -4.96 119.66 121.40 1x4n s GLN 49 Ca 0.04 -1.71 -0.11 0.00 -1.95 0.00 0.00 55.36 51.63 1x4n s GLN 49 Cb -0.17 -4.22 -0.05 0.00 -0.22 0.00 0.00 33.01 28.34 1x4n s GLN 49 CO -0.18 -1.30 0.35 0.42 -0.25 0.00 0.00 175.29 174.34 1x4n s ILE 50 N 1.55 5.15 0.69 1.08 1.01 -1.26 -1.21 121.20 128.21 1x4n s ILE 50 Ca 0.04 0.50 -0.15 0.00 0.00 0.00 0.00 60.65 61.04 1x4n s ILE 50 Cb -0.29 -3.63 0.02 0.00 0.01 0.00 0.00 42.46 38.57 1x4n s ILE 50 CO 0.02 0.43 1.16 0.00 0.00 0.00 0.00 174.94 176.55 1x4n s ALA 51 N -1.24 2.29 0.01 9.38 0.00 -1.24 -4.93 121.76 126.03 1x4n s ALA 51 Ca 0.27 0.73 0.20 0.00 0.00 0.00 0.00 51.96 53.17 1x4n s ALA 51 Cb -0.14 -3.40 0.55 0.00 0.00 0.00 0.00 23.12 20.13 1x4n s ALA 51 CO 0.15 -1.58 1.67 -1.00 0.00 0.00 0.00 175.76 174.99 1x4n h PRO 52 N -0.10 0.00 -0.93 0.00 0.13 -1.97 -3.42 132.00 125.71 1x4n h PRO 52 Ca -0.47 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.73 1x4n h PRO 52 Cb 1.27 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.19 1x4n h PRO 52 CO 0.52 0.33 -0.30 -0.51 -0.23 0.00 0.00 178.00 177.81 1x4n s ASP 53 N -6.32 -1.44 0.49 1.44 1.01 -1.26 -5.01 116.67 105.58 1x4n s ASP 53 Ca 0.02 0.41 0.31 0.00 0.71 0.00 0.00 52.55 54.00 1x4n s ASP 53 Cb 0.09 2.01 1.41 0.00 1.01 0.00 0.00 42.92 47.44 1x4n s ASP 53 CO 0.68 -0.26 1.76 0.77 0.21 0.00 0.00 175.17 178.33 1x4n h SER 54 N 7.95 0.17 0.00 0.27 4.64 -1.95 -3.44 113.55 121.19 1x4n h SER 54 Ca -0.09 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1x4n h SER 54 Cb 1.18 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1x4n h SER 54 CO 0.16 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.74 1x4n n GLY 55 N -1.66 0.66 0.00 -0.77 0.00 -1.26 -4.33 105.19 97.83 1x4n n GLY 55 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.13 1.64 3.18 -0.02 0.00 -1.26 -5.11 105.19 102.48 1x4n n GLY 56 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1x4n n GLY 56 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x4n n LEU 57 N 0.00 -3.14 0.17 0.99 4.32 -1.26 -4.86 117.00 113.22 1x4n n LEU 57 Ca 0.00 0.17 0.04 0.00 -0.02 0.00 0.00 56.01 56.20 1x4n n LEU 57 Cb 0.00 -0.91 0.22 0.00 -1.62 0.00 0.00 43.42 41.11 1x4n n LEU 57 CO 0.00 -4.37 0.59 1.55 -1.22 0.00 0.00 177.39 173.94 1x4n h PRO 58 N -1.33 0.00 -4.75 3.23 0.13 -1.97 -3.44 132.00 123.86 1x4n h PRO 58 Ca -0.44 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.24 1x4n h PRO 58 Cb 1.31 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.14 1x4n h PRO 58 CO 0.29 0.45 -0.79 -1.21 -0.23 0.00 0.00 178.00 176.50 1x4n s GLU 59 N -3.36 1.06 -0.34 0.86 0.41 -1.26 -3.26 118.70 112.82 1x4n s GLU 59 Ca 0.01 -0.36 -0.18 0.00 -0.41 0.00 0.00 54.97 54.03 1x4n s GLU 59 Cb 0.10 -0.98 -0.01 0.00 -1.78 0.00 0.00 34.13 31.46 1x4n s GLU 59 CO 0.71 0.15 0.53 0.50 -0.49 0.00 0.00 175.26 176.66 1x4n s ARG 60 N 0.09 3.68 0.24 1.61 3.52 0.19 -4.79 118.95 123.49 1x4n s ARG 60 Ca -0.02 -0.08 -0.31 0.00 -0.13 0.00 0.00 55.73 55.20 1x4n s ARG 60 Cb -0.08 -3.79 -0.11 0.00 -1.56 0.00 0.00 34.95 29.41 1x4n s ARG 60 CO 0.01 -0.62 1.59 0.45 -0.81 0.00 0.00 175.30 175.91 1x4n s SER 61 N 1.74 6.47 -0.19 -2.12 0.15 -1.26 -2.70 113.70 115.79 1x4n s SER 61 Ca 0.20 2.81 -0.00 0.00 0.70 0.00 0.00 55.95 59.66 1x4n s SER 61 Cb -0.15 -2.62 0.05 0.00 -1.71 0.00 0.00 66.02 61.59 1x4n s SER 61 CO 0.13 -0.87 -0.05 0.00 1.20 0.00 0.00 173.24 173.65 1x4n s MET 63 N 1.56 4.12 0.09 0.00 -1.94 -0.35 -1.89 119.30 120.89 1x4n s MET 63 Ca -0.01 0.92 -0.01 0.00 -1.71 0.00 0.00 55.69 54.88 1x4n s MET 63 Cb -0.16 -3.68 -0.04 0.00 2.01 0.00 0.00 34.83 32.95 1x4n s MET 63 CO -0.07 -0.63 0.26 -0.51 -0.01 0.00 0.00 175.02 174.06 1x4n s LEU 64 N 3.04 4.33 -0.08 -0.03 1.02 -1.10 -0.17 118.68 125.69 1x4n s LEU 64 Ca 0.37 0.33 -0.04 0.00 0.02 0.00 0.00 54.13 54.81 1x4n s LEU 64 Cb -0.14 -3.04 0.04 0.00 0.02 0.00 0.00 46.19 43.07 1x4n s LEU 64 CO 0.10 0.12 0.18 -0.89 0.02 0.00 0.00 176.35 175.87 1x4n s THR 65 N -1.59 -0.04 -4.78 5.49 2.01 -0.64 -2.75 115.64 113.35 1x4n s THR 65 Ca 0.36 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.50 1x4n s THR 65 Cb -0.12 -0.28 0.00 0.00 0.01 0.00 0.00 72.50 72.11 1x4n s THR 65 CO 0.27 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 174.87 1x4n n GLY 66 N 3.98 0.97 3.42 4.40 0.00 -1.05 -0.66 105.19 116.25 1x4n n GLY 66 Ca -0.23 -1.93 -0.32 0.00 0.00 0.00 0.00 46.02 43.54 1x4n n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x4n n THR 67 N 8.61 0.00 0.01 2.61 -2.24 -1.26 -2.35 114.28 119.65 1x4n n THR 67 Ca 0.00 -0.20 -0.19 0.00 -2.27 0.00 0.00 64.05 61.39 1x4n n THR 67 Cb 0.00 -0.68 -0.10 0.00 -2.10 0.00 0.00 70.33 67.45 1x4n n THR 67 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1x4n h PRO 68 N -1.76 0.65 0.00 -0.78 0.13 -1.95 -1.81 132.00 126.48 1x4n h PRO 68 Ca -0.46 -0.63 0.00 0.00 -0.87 0.00 0.00 66.00 64.03 1x4n h PRO 68 Cb 1.30 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.59 1x4n h PRO 68 CO 0.37 1.24 0.00 0.93 -0.23 0.00 0.00 178.00 180.30 1x4n h GLU 69 N 0.31 0.00 0.14 0.86 5.08 -1.98 -2.37 114.58 116.61 1x4n h GLU 69 Ca -0.09 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.93 1x4n h GLU 69 Cb 1.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 1x4n h GLU 69 CO 0.17 0.00 -1.77 0.77 -1.00 0.00 0.00 179.01 177.18 1x4n h SER 70 N 0.00 0.45 -0.43 1.42 0.02 -1.78 -2.89 113.55 110.34 1x4n h SER 70 Ca 0.00 -0.90 0.05 0.00 -0.84 0.00 0.00 61.79 60.09 1x4n h SER 70 Cb 0.32 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 1x4n h SER 70 CO 0.00 1.77 0.18 0.58 -1.14 0.00 0.00 176.83 178.22 1x4n h VAL 71 N -0.06 0.91 -0.08 2.27 2.07 -0.94 0.40 116.25 120.82 1x4n h VAL 71 Ca -0.37 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1x4n h VAL 71 Cb 1.96 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1x4n h VAL 71 CO 0.09 0.07 0.00 1.56 0.02 0.00 0.00 177.57 179.31 1x4n h GLN 72 N 0.37 0.15 -0.42 1.57 7.50 -1.59 -0.21 115.11 122.47 1x4n h GLN 72 Ca 0.20 -0.04 0.07 0.00 0.50 0.00 0.00 58.65 59.38 1x4n h GLN 72 Cb 0.16 -0.01 -0.06 0.00 0.05 0.00 0.00 27.48 27.61 1x4n h GLN 72 CO -0.18 0.40 0.05 0.77 -1.50 0.00 0.00 178.83 178.37 1x4n h SER 73 N -0.12 -0.07 -0.52 1.46 0.02 -1.22 -0.33 113.55 112.76 1x4n h SER 73 Ca 0.02 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1x4n h SER 73 Cb 0.33 0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 1x4n h SER 73 CO 0.00 -0.00 0.31 0.00 -1.14 0.00 0.00 176.83 176.00 1x4n h ALA 74 N 1.35 0.66 -0.32 3.77 0.00 -0.12 -2.59 119.26 122.01 1x4n h ALA 74 Ca 0.21 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1x4n h ALA 74 Cb 0.28 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 17.78 1x4n h ALA 74 CO -0.31 0.16 -0.25 0.87 0.00 0.00 0.00 179.25 179.72 1x4n h LYS 75 N 0.70 -0.21 -0.69 0.00 1.57 0.29 0.76 116.57 118.98 1x4n h LYS 75 Ca 0.19 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 59.13 1x4n h LYS 75 Cb 0.00 0.05 -0.13 0.00 0.08 0.00 0.00 32.23 32.23 1x4n h LYS 75 CO -0.03 -0.14 -0.09 0.00 -0.57 0.00 0.00 179.45 178.62 1x4n h ARG 76 N -0.21 0.05 -0.02 3.15 2.47 -0.73 0.46 114.38 119.55 1x4n h ARG 76 Ca 0.16 -0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.89 1x4n h ARG 76 Cb 0.47 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.77 1x4n h ARG 76 CO -0.44 0.03 -0.04 -0.07 0.56 0.00 0.00 179.97 180.01 1x4n h LEU 77 N 0.05 -0.12 0.03 3.04 3.38 -0.83 0.14 115.31 121.00 1x4n h LEU 77 Ca 0.35 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.34 1x4n h LEU 77 Cb 0.57 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1x4n h LEU 77 CO -0.66 -0.06 -0.04 -0.07 0.09 0.00 0.00 178.44 177.71 1x4n h LEU 78 N -0.07 -0.10 -0.97 1.67 3.38 0.14 -2.02 115.31 117.35 1x4n h LEU 78 Ca 0.02 0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.18 1x4n h LEU 78 Cb 0.10 0.03 -0.18 0.00 0.09 0.00 0.00 40.66 40.70 1x4n h LEU 78 CO -0.06 -0.05 -0.28 -0.78 0.09 0.00 0.00 178.44 177.36 1x4n h ASP 79 N -0.07 -1.05 -0.71 -0.43 3.58 -0.20 0.18 116.42 117.72 1x4n h ASP 79 Ca -0.00 0.30 0.07 0.00 0.42 0.00 0.00 57.03 57.81 1x4n h ASP 79 Cb 0.06 0.64 -0.09 0.00 1.72 0.00 0.00 39.33 41.66 1x4n h ASP 79 CO -0.01 -0.31 -0.48 1.56 -2.88 0.00 0.00 179.24 177.12 1x4n h GLN 80 N -0.00 -0.07 -0.62 0.28 1.08 -0.31 0.68 115.11 116.15 1x4n h GLN 80 Ca 0.43 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.69 1x4n h GLN 80 Cb 0.68 0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 28.05 1x4n h GLN 80 CO -0.99 -0.05 -0.39 0.82 -0.95 0.00 0.00 178.83 177.28 1x4n h ILE 81 N -0.07 0.00 -0.72 2.54 2.04 0.07 1.53 117.51 122.90 1x4n h ILE 81 Ca 0.12 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.08 1x4n h ILE 81 Cb 0.37 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.33 1x4n h ILE 81 CO -0.71 0.00 -0.44 0.58 0.00 0.00 0.00 178.15 177.58 1x4n h VAL 82 N -0.03 0.06 0.52 1.67 2.07 -0.89 0.32 116.25 119.98 1x4n h VAL 82 Ca 0.10 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 1x4n h VAL 82 Cb 0.28 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1x4n h VAL 82 CO -0.60 0.00 -0.45 -0.08 0.02 0.00 0.00 177.57 176.46 1x4n h GLU 83 N -0.15 -0.93 -1.46 1.57 4.22 0.16 -0.31 114.58 117.69 1x4n h GLU 83 Ca 0.22 0.06 0.43 0.00 0.08 0.00 0.00 59.36 60.15 1x4n h GLU 83 Cb 0.55 0.21 -0.08 0.00 0.50 0.00 0.00 28.75 29.93 1x4n h GLU 83 CO -0.78 -0.62 1.02 -0.22 -2.18 0.00 0.00 179.01 176.23 1x4n h LYS 84 N -0.96 0.05 -2.19 1.92 3.11 0.34 0.15 116.57 119.00 1x4n h LYS 84 Ca -0.06 -0.00 -0.58 0.00 -2.81 0.00 0.00 60.65 57.20 1x4n h LYS 84 Cb 0.83 -0.01 -0.42 0.00 -1.00 0.00 0.00 32.23 31.63 1x4n h LYS 84 CO -0.03 0.04 -0.69 0.41 -2.81 0.00 0.00 179.45 176.36 1x4n n GLY 85 N -1.74 5.48 0.40 5.01 0.00 0.99 -4.64 105.19 110.69 1x4n n GLY 85 Ca 0.34 -2.70 -0.03 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.23 0.08 -3.26 1.61 5.12 0.53 -4.81 116.66 115.70 1x4n n ARG 86 Ca 0.31 0.03 -0.21 0.00 -1.93 0.00 0.00 57.85 56.05 1x4n n ARG 86 Cb 0.44 -0.88 -0.08 0.00 -1.16 0.00 0.00 32.46 30.79 1x4n n ARG 86 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1x4n s SER 87 N -4.76 0.87 0.71 0.55 0.01 -1.26 -5.09 113.70 104.72 1x4n s SER 87 Ca -0.05 -2.55 0.00 0.00 1.31 0.00 0.00 55.95 54.66 1x4n s SER 87 Cb 0.02 0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.43 1x4n s SER 87 CO 0.07 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.17 1x4n n GLY 88 N 3.11 -0.28 2.71 3.44 0.00 -1.26 -3.39 105.19 109.51 1x4n n GLY 88 Ca 0.24 -0.74 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 1x4n n GLY 88 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4n n PRO 89 N -1.06 2.46 -3.50 1.61 -0.04 -1.26 -4.59 135.00 128.61 1x4n n PRO 89 Ca 0.00 -2.00 -0.36 0.00 -0.04 0.00 0.00 63.50 61.11 1x4n n PRO 89 Cb 0.00 -2.85 0.03 0.00 -0.04 0.00 0.00 33.50 30.64 1x4n n PRO 89 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x4n n SER 90 N 5.42 -5.57 -3.35 3.54 2.88 -1.22 -4.99 113.62 110.32 1x4n n SER 90 Ca 0.55 -0.22 0.02 0.00 -1.33 0.00 0.00 58.87 57.89 1x4n n SER 90 Cb 0.29 -1.89 -0.04 0.00 -0.75 0.00 0.00 64.21 61.82 1x4n n SER 90 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x4n s SER 91 N -1.73 -0.32 0.00 -3.46 1.04 -1.25 -5.17 113.70 102.81 1x4n s SER 91 Ca 0.33 0.46 0.00 0.00 0.48 0.00 0.00 55.95 57.22 1x4n s SER 91 Cb -0.04 1.34 0.00 0.00 0.10 0.00 0.00 66.02 67.42 1x4n s SER 91 CO 0.87 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 175.64