#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 0.30 -0.12 1.61 0.01 -1.26 -5.17 113.70 109.07 1x4n s SER 2 Ca 0.00 -1.41 -0.18 0.00 1.31 0.00 0.00 55.95 55.67 1x4n s SER 2 Cb 0.00 0.41 0.04 0.00 0.21 0.00 0.00 66.02 66.68 1x4n s SER 2 CO 0.00 -0.88 0.47 -0.55 0.41 0.00 0.00 173.24 172.69 1x4n s SER 3 N -3.18 -0.45 1.16 2.44 0.15 -1.26 -5.17 113.70 107.40 1x4n s SER 3 Ca 0.38 0.72 -0.16 0.00 0.70 0.00 0.00 55.95 57.59 1x4n s SER 3 Cb 0.06 0.76 0.24 0.00 -1.71 0.00 0.00 66.02 65.37 1x4n s SER 3 CO 0.14 -0.30 0.94 0.61 1.20 0.00 0.00 173.24 175.83 1x4n n GLY 4 N 2.18 -2.45 1.82 9.45 0.00 -1.26 -5.04 105.19 109.89 1x4n n GLY 4 Ca -0.16 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 -4.36 0.05 -1.10 1.61 7.64 -1.26 -5.16 113.62 111.03 1x4n n SER 5 Ca 0.13 0.35 0.14 0.00 1.01 0.00 0.00 58.87 60.50 1x4n n SER 5 Cb 0.48 0.22 -0.05 0.00 -1.01 0.00 0.00 64.21 63.86 1x4n n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x4n n SER 6 N -3.29 -6.61 0.00 6.43 7.64 -1.26 -5.06 113.62 111.47 1x4n n SER 6 Ca 0.00 0.74 0.00 0.00 1.01 0.00 0.00 58.87 60.62 1x4n n SER 6 Cb 0.00 -3.53 0.00 0.00 -1.01 0.00 0.00 64.21 59.67 1x4n n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4n n GLY 7 N -3.82 4.26 2.11 0.23 0.00 -1.26 -5.08 105.19 101.63 1x4n n GLY 7 Ca -0.02 -0.54 -0.01 0.00 0.00 0.00 0.00 46.02 45.44 1x4n n GLY 7 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1x4n n HIS 8 N 0.00 -1.31 -3.63 1.61 -0.00 -1.26 -5.08 115.22 105.54 1x4n n HIS 8 Ca 0.00 0.51 -0.05 0.00 -0.00 0.00 0.00 57.72 58.19 1x4n n HIS 8 Cb 0.00 -2.58 -0.06 0.00 -0.00 0.00 0.00 29.99 27.35 1x4n n HIS 8 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 1x4n s GLN 9 N -2.50 0.57 0.10 -0.41 0.74 -1.26 -5.17 119.66 111.72 1x4n s GLN 9 Ca 0.04 1.05 -0.27 0.00 0.05 0.00 0.00 55.36 56.24 1x4n s GLN 9 Cb -0.01 0.21 0.08 0.00 1.10 0.00 0.00 33.01 34.39 1x4n s GLN 9 CO 0.31 -0.13 1.03 1.14 -0.55 0.00 0.00 175.29 177.09 1x4n s GLN 10 N 1.72 0.98 0.18 1.67 -2.07 -1.26 -5.19 119.66 115.69 1x4n s GLN 10 Ca -0.09 -0.52 -0.09 0.00 -1.82 0.00 0.00 55.36 52.84 1x4n s GLN 10 Cb -0.05 0.34 -0.01 0.00 -1.09 0.00 0.00 33.01 32.20 1x4n s GLN 10 CO -0.18 -0.44 0.32 -0.65 -1.32 0.00 0.00 175.29 173.01 1x4n s GLN 11 N -3.07 1.24 -0.29 9.60 -0.21 -1.26 -5.17 119.66 120.50 1x4n s GLN 11 Ca 0.12 -1.21 -0.26 0.00 0.02 0.00 0.00 55.36 54.02 1x4n s GLN 11 Cb -0.00 0.39 0.19 0.00 1.00 0.00 0.00 33.01 34.59 1x4n s GLN 11 CO -0.00 -0.47 1.41 0.50 -2.12 0.00 0.00 175.29 174.61 1x4n s ARG 12 N -3.99 0.08 0.32 2.91 3.52 -1.26 -5.14 118.95 115.39 1x4n s ARG 12 Ca 0.20 0.07 0.00 0.00 -0.13 0.00 0.00 55.73 55.87 1x4n s ARG 12 Cb 0.03 0.04 0.00 0.00 -1.56 0.00 0.00 34.95 33.45 1x4n s ARG 12 CO 0.03 -0.01 0.00 0.43 -0.81 0.00 0.00 175.30 174.93 1x4n n SER 13 N 1.33 -7.99 -4.29 -2.12 7.64 -1.26 -4.95 113.62 101.99 1x4n n SER 13 Ca -0.08 1.09 -0.27 0.00 1.01 0.00 0.00 58.87 60.62 1x4n n SER 13 Cb 0.57 -3.90 -0.14 0.00 -1.01 0.00 0.00 64.21 59.73 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 -1.95 1.85 0.17 0.44 1.01 -1.26 -4.53 120.40 116.13 1x4n s VAL 14 Ca 0.00 -1.29 0.06 0.00 0.00 0.00 0.00 61.98 60.76 1x4n s VAL 14 Cb 0.00 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1x4n s VAL 14 CO 0.00 0.26 -0.13 0.00 0.00 0.00 0.00 175.10 175.22 1x4n s MET 15 N -1.23 1.19 -0.10 2.72 0.23 -1.03 -4.91 119.30 116.17 1x4n s MET 15 Ca 0.09 -1.47 0.00 0.00 -1.03 0.00 0.00 55.69 53.28 1x4n s MET 15 Cb -0.09 -0.95 -0.03 0.00 -1.53 0.00 0.00 34.83 32.24 1x4n s MET 15 CO 0.02 0.16 -0.09 0.99 -2.03 0.00 0.00 175.02 174.07 1x4n s THR 16 N -2.87 3.49 0.05 3.16 2.01 -1.26 -2.60 115.64 117.62 1x4n s THR 16 Ca 0.18 -0.53 0.06 0.00 0.31 0.00 0.00 61.69 61.70 1x4n s THR 16 Cb -0.01 -2.45 -0.02 0.00 0.01 0.00 0.00 72.50 70.03 1x4n s THR 16 CO 0.04 0.56 -0.16 -0.70 -0.69 0.00 0.00 174.62 173.67 1x4n s GLU 17 N -0.28 1.02 -0.35 4.92 2.56 -1.02 -5.00 118.70 120.55 1x4n s GLU 17 Ca 0.03 -0.87 -0.07 0.00 0.00 0.00 0.00 54.97 54.06 1x4n s GLU 17 Cb -0.13 -1.08 0.04 0.00 2.00 0.00 0.00 34.13 34.96 1x4n s GLU 17 CO 0.03 0.26 0.13 -2.00 -0.56 0.00 0.00 175.26 173.12 1x4n s GLU 18 N -1.33 2.62 -0.11 4.30 2.12 -1.26 -2.06 118.70 122.98 1x4n s GLU 18 Ca 0.03 -1.21 0.02 0.00 0.36 0.00 0.00 54.97 54.17 1x4n s GLU 18 Cb -0.09 -3.52 -0.01 0.00 0.26 0.00 0.00 34.13 30.78 1x4n s GLU 18 CO 0.02 -0.70 -0.18 -0.47 -0.54 0.00 0.00 175.26 173.38 1x4n s TYR 19 N 1.41 2.68 -0.12 5.30 5.04 -1.16 -4.99 117.35 125.51 1x4n s TYR 19 Ca -0.01 -0.75 -0.06 0.00 -2.44 0.00 0.00 57.07 53.82 1x4n s TYR 19 Cb -0.20 -1.76 -0.04 0.00 0.35 0.00 0.00 41.96 40.32 1x4n s TYR 19 CO 0.03 -0.25 0.10 0.15 -1.34 0.00 0.00 175.55 174.24 1x4n s LYS 20 N 0.21 3.37 0.13 4.97 1.02 -1.26 -0.68 119.74 127.49 1x4n s LYS 20 Ca -0.11 -0.21 0.04 0.00 0.02 0.00 0.00 55.97 55.71 1x4n s LYS 20 Cb -0.16 -3.10 -0.04 0.00 -0.52 0.00 0.00 37.83 34.01 1x4n s LYS 20 CO 0.06 0.73 -0.09 0.14 -0.92 0.00 0.00 175.35 175.26 1x4n s VAL 21 N -0.89 1.05 -0.22 3.17 -7.23 -0.96 -4.93 120.40 110.39 1x4n s VAL 21 Ca 0.14 -1.99 -0.29 0.00 -1.81 0.00 0.00 61.98 58.02 1x4n s VAL 21 Cb -0.12 -1.76 -0.01 0.00 0.56 0.00 0.00 36.38 35.05 1x4n s VAL 21 CO 0.03 -0.75 1.30 -2.16 -0.31 0.00 0.00 175.10 173.21 1x4n s PRO 22 N -3.67 4.09 0.61 4.82 0.04 -1.26 0.59 135.00 140.22 1x4n s PRO 22 Ca 0.15 1.51 0.28 0.00 0.04 0.00 0.00 61.00 62.98 1x4n s PRO 22 Cb 0.03 -3.83 1.48 0.00 0.04 0.00 0.00 34.50 32.21 1x4n s PRO 22 CO -0.01 -0.90 1.88 0.38 0.04 0.00 0.00 177.00 178.39 1x4n h ASP 23 N 8.77 0.00 0.03 6.66 2.03 -1.83 1.58 116.42 133.66 1x4n h ASP 23 Ca -0.27 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.03 1x4n h ASP 23 Cb 1.10 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.60 1x4n h ASP 23 CO 1.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 179.82 1x4n n GLY 24 N -1.45 -0.77 0.42 7.15 0.00 -1.26 -3.44 105.19 105.83 1x4n n GLY 24 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.02 0.00 -0.28 1.61 2.81 0.51 -4.78 117.12 115.97 1x4n n MET 25 Ca 0.18 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 56.09 1x4n n MET 25 Cb 0.09 -0.66 0.11 0.00 -0.71 0.00 0.00 33.22 32.05 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 0.21 -1.02 2.03 3.04 -0.81 1.75 116.25 121.45 1x4n h VAL 26 Ca 0.00 -0.00 0.30 0.00 -1.01 0.00 0.00 66.70 65.98 1x4n h VAL 26 Cb 0.62 0.20 -0.04 0.00 -2.01 0.00 0.00 31.29 30.06 1x4n h VAL 26 CO 0.00 0.00 0.74 1.23 -1.01 0.00 0.00 177.57 178.53 1x4n h GLY 27 N 0.01 0.00 0.55 3.17 0.00 -1.82 0.80 103.07 105.78 1x4n h GLY 27 Ca 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.70 1x4n h GLY 27 CO -0.81 0.00 -1.48 0.33 0.00 0.00 0.00 176.54 174.58 1x4n n PHE 28 N -4.20 0.54 -0.16 5.60 7.35 0.55 -4.15 117.46 123.00 1x4n n PHE 28 Ca 0.21 0.16 -0.10 0.00 -0.76 0.00 0.00 57.45 56.97 1x4n n PHE 28 Cb 1.09 -0.78 -0.00 0.00 0.35 0.00 0.00 39.48 40.14 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 1.26 0.28 -2.13 2.04 0.48 -3.11 117.51 116.33 1x4n h ILE 29 Ca -0.02 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 64.84 1x4n h ILE 29 Cb 1.06 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 1x4n h ILE 29 CO 0.00 0.35 -0.44 0.40 0.00 0.00 0.00 178.15 178.47 1x4n h ILE 30 N 0.66 0.13 0.00 -0.67 5.03 -1.44 -1.00 117.51 120.22 1x4n h ILE 30 Ca 0.14 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.88 1x4n h ILE 30 Cb 0.46 0.13 0.00 0.00 -3.03 0.00 0.00 36.82 34.39 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 -1.49 -1.79 3.51 5.37 0.00 -1.18 -0.89 105.19 108.71 1x4n n GLY 31 Ca -0.09 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 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 0.00 3.61 0.00 1.61 3.52 -1.26 -3.37 118.95 123.06 1x4n s ARG 32 Ca 0.00 -1.45 0.00 0.00 -0.13 0.00 0.00 55.73 54.15 1x4n s ARG 32 Cb 0.00 -5.16 0.00 0.00 -1.56 0.00 0.00 34.95 28.23 1x4n s ARG 32 CO 0.00 -2.01 0.00 0.41 -0.81 0.00 0.00 175.30 172.89 1x4n n GLY 33 N 6.19 0.64 1.11 8.12 0.00 -1.26 -4.12 105.19 115.86 1x4n n GLY 33 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.03 0.98 0.09 -0.02 0.00 -1.22 -4.99 105.19 98.01 1x4n n GLY 34 Ca 0.00 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.69 0.65 -0.17 1.61 0.28 -0.88 -2.69 120.64 118.75 1x4n n GLU 35 Ca 0.00 0.28 -0.03 0.00 -0.16 0.00 0.00 57.16 57.25 1x4n n GLU 35 Cb 0.31 -1.77 0.18 0.00 1.43 0.00 0.00 31.44 31.59 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 0.01 0.91 0.18 3.44 5.75 -1.19 -1.51 115.11 122.70 1x4n h GLN 36 Ca -0.32 -0.16 -0.31 0.00 -0.15 0.00 0.00 58.65 57.71 1x4n h GLN 36 Cb 2.03 -0.15 0.02 0.00 1.07 0.00 0.00 27.48 30.44 1x4n h GLN 36 CO 0.08 0.77 -1.39 0.97 -2.65 0.00 0.00 178.83 176.61 1x4n h ILE 37 N 0.89 1.36 -0.80 2.39 -0.00 -0.26 -3.28 117.51 117.81 1x4n h ILE 37 Ca 0.20 -2.88 0.11 0.00 -0.00 0.00 0.00 64.86 62.30 1x4n h ILE 37 Cb 0.23 2.96 -0.08 0.00 -0.00 0.00 0.00 36.82 39.93 1x4n h ILE 37 CO -0.01 0.85 0.43 -1.28 -0.00 0.00 0.00 178.15 178.14 1x4n h SER 38 N 0.10 0.57 -0.18 2.19 0.87 -1.26 0.31 113.55 116.15 1x4n h SER 38 Ca -0.20 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 1x4n h SER 38 Cb 2.06 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.98 1x4n h SER 38 CO 0.23 0.30 0.10 -0.09 -0.53 0.00 0.00 176.83 176.84 1x4n h ARG 39 N 0.68 0.29 0.03 2.24 2.43 -1.35 0.50 114.38 119.19 1x4n h ARG 39 Ca 0.40 -0.03 -0.25 0.00 -0.81 0.00 0.00 59.98 59.29 1x4n h ARG 39 Cb 0.45 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1x4n h ARG 39 CO -0.29 0.23 -1.04 0.82 -1.51 0.00 0.00 179.97 178.18 1x4n h ILE 40 N 0.30 1.34 -0.07 1.20 2.04 -0.63 0.31 117.51 122.00 1x4n h ILE 40 Ca 0.08 -2.41 -0.13 0.00 1.00 0.00 0.00 64.86 63.40 1x4n h ILE 40 Cb 0.04 2.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.58 1x4n h ILE 40 CO -0.01 0.73 -0.54 1.56 0.00 0.00 0.00 178.15 179.89 1x4n h GLN 41 N 0.29 0.21 0.00 2.37 4.20 0.46 -1.28 115.11 121.36 1x4n h GLN 41 Ca -0.12 -0.12 -0.18 0.00 0.06 0.00 0.00 58.65 58.29 1x4n h GLN 41 Cb 1.69 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.46 1x4n h GLN 41 CO 0.19 0.69 -1.16 1.96 -0.67 0.00 0.00 178.83 179.84 1x4n h GLN 42 N 0.16 0.00 -0.04 1.46 4.20 -0.04 0.19 115.11 121.05 1x4n h GLN 42 Ca 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 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 0.08 0.50 -0.06 0.93 -0.67 0.00 0.00 178.83 179.61 1x4n h GLU 43 N 0.00 0.10 -0.00 1.46 4.39 -0.21 -3.22 114.58 117.11 1x4n h GLU 43 Ca -0.12 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.52 1x4n h GLU 43 Cb 1.64 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.30 1x4n h GLU 43 CO 0.07 0.62 -0.59 -1.13 -1.16 0.00 0.00 179.01 176.82 1x4n n SER 44 N -4.74 0.84 -2.16 1.42 3.41 -0.50 -4.94 113.62 106.96 1x4n n SER 44 Ca -0.08 -0.65 -0.20 0.00 -0.26 0.00 0.00 58.87 57.67 1x4n n SER 44 Cb 0.31 0.45 -0.03 0.00 -0.26 0.00 0.00 64.21 64.67 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 1.47 0.22 3.69 5.00 0.00 0.60 -4.60 105.19 111.58 1x4n n GLY 45 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.50 3.90 -0.24 0.00 2.20 -0.47 -4.43 119.74 117.21 1x4n s LYS 47 Ca 0.31 0.38 -0.03 0.00 -0.36 0.00 0.00 55.97 56.26 1x4n s LYS 47 Cb -0.08 -3.00 0.08 0.00 -1.51 0.00 0.00 37.83 33.32 1x4n s LYS 47 CO 0.21 0.54 0.08 0.42 -0.36 0.00 0.00 175.35 176.24 1x4n s ILE 48 N -1.39 0.30 -0.54 5.43 1.01 -1.26 -2.12 121.20 122.64 1x4n s ILE 48 Ca 0.34 -0.69 -0.16 0.00 0.00 0.00 0.00 60.65 60.15 1x4n s ILE 48 Cb -0.15 -1.04 0.13 0.00 0.01 0.00 0.00 42.46 41.41 1x4n s ILE 48 CO 0.18 -0.45 0.51 -1.10 0.00 0.00 0.00 174.94 174.08 1x4n s GLN 49 N 1.94 2.99 -0.07 2.79 -0.21 0.39 -4.91 119.66 122.59 1x4n s GLN 49 Ca 0.04 -1.68 -0.13 0.00 0.02 0.00 0.00 55.36 53.61 1x4n s GLN 49 Cb -0.17 -4.29 -0.05 0.00 1.00 0.00 0.00 33.01 29.50 1x4n s GLN 49 CO -0.19 -1.33 0.34 0.42 -2.12 0.00 0.00 175.29 172.40 1x4n s ILE 50 N 1.65 5.19 0.66 1.08 1.01 -1.26 0.33 121.20 129.86 1x4n s ILE 50 Ca 0.03 0.66 -0.16 0.00 0.00 0.00 0.00 60.65 61.18 1x4n s ILE 50 Cb -0.30 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.54 1x4n s ILE 50 CO 0.03 0.53 1.17 0.00 0.00 0.00 0.00 174.94 176.67 1x4n s ALA 51 N -0.62 2.37 0.16 9.38 0.00 -1.24 -4.94 121.76 126.86 1x4n s ALA 51 Ca 0.21 0.81 -0.02 0.00 0.00 0.00 0.00 51.96 52.96 1x4n s ALA 51 Cb -0.15 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.55 1x4n s ALA 51 CO 0.09 -1.44 1.37 -1.00 0.00 0.00 0.00 175.76 174.79 1x4n h PRO 52 N 0.22 0.35 -3.09 0.00 0.13 -1.97 -3.42 132.00 124.23 1x4n h PRO 52 Ca -0.48 -0.34 -0.50 0.00 -0.87 0.00 0.00 66.00 63.81 1x4n h PRO 52 Cb 1.28 0.09 -0.40 0.00 0.13 0.00 0.00 31.00 32.09 1x4n h PRO 52 CO 0.53 1.01 -0.76 -0.51 -0.23 0.00 0.00 178.00 178.04 1x4n s ASP 53 N -7.00 2.88 0.66 1.44 1.01 -1.26 -4.98 116.67 109.42 1x4n s ASP 53 Ca -0.05 -0.90 0.30 0.00 0.71 0.00 0.00 52.55 52.61 1x4n s ASP 53 Cb 0.10 -0.37 1.64 0.00 1.01 0.00 0.00 42.92 45.30 1x4n s ASP 53 CO 0.85 -0.37 1.93 -1.28 0.21 0.00 0.00 175.17 176.50 1x4n h SER 54 N 8.37 0.00 0.00 0.27 0.87 -1.94 -3.46 113.55 117.65 1x4n h SER 54 Ca -0.17 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1x4n h SER 54 Cb 1.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1x4n h SER 54 CO 0.35 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 177.26 1x4n n GLY 55 N -1.23 1.21 0.78 5.77 0.00 -1.26 -3.81 105.19 106.64 1x4n n GLY 55 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 0.73 3.92 -0.02 0.00 -1.26 -5.11 105.19 103.44 1x4n n GLY 56 Ca 0.00 -0.18 -0.28 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 4.13 0.26 0.99 2.01 -1.25 -5.00 118.68 119.82 1x4n s LEU 57 Ca 0.07 0.55 0.12 0.00 0.01 0.00 0.00 54.13 54.88 1x4n s LEU 57 Cb 0.08 -3.34 0.25 0.00 0.01 0.00 0.00 46.19 43.19 1x4n s LEU 57 CO -0.04 -0.13 1.53 1.55 1.01 0.00 0.00 176.35 180.28 1x4n h PRO 58 N 1.76 0.00 -6.26 1.29 0.13 -1.95 -3.44 132.00 123.54 1x4n h PRO 58 Ca -0.48 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.96 1x4n h PRO 58 Cb 1.19 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.04 1x4n h PRO 58 CO 0.67 0.65 -0.85 -1.21 -0.23 0.00 0.00 178.00 177.03 1x4n s GLU 59 N -3.31 2.44 -0.28 0.86 8.01 -1.26 -2.52 118.70 122.64 1x4n s GLU 59 Ca 0.00 -0.84 -0.15 0.00 0.01 0.00 0.00 54.97 53.99 1x4n s GLU 59 Cb 0.11 -2.21 -0.03 0.00 -4.31 0.00 0.00 34.13 27.69 1x4n s GLU 59 CO 0.76 0.50 0.38 0.50 0.01 0.00 0.00 175.26 177.41 1x4n s ARG 60 N -0.44 3.93 0.41 1.61 3.52 0.20 -4.78 118.95 123.40 1x4n s ARG 60 Ca 0.05 -0.03 -0.25 0.00 -0.13 0.00 0.00 55.73 55.36 1x4n s ARG 60 Cb -0.12 -3.69 -0.08 0.00 -1.56 0.00 0.00 34.95 29.50 1x4n s ARG 60 CO 0.01 -0.33 1.25 0.45 -0.81 0.00 0.00 175.30 175.87 1x4n s SER 61 N 1.66 6.34 -0.16 -2.12 0.15 -1.26 -2.26 113.70 116.04 1x4n s SER 61 Ca 0.15 2.52 -0.01 0.00 0.70 0.00 0.00 55.95 59.31 1x4n s SER 61 Cb -0.16 -2.63 0.05 0.00 -1.71 0.00 0.00 66.02 61.57 1x4n s SER 61 CO 0.10 -0.82 -0.01 0.00 1.20 0.00 0.00 173.24 173.72 1x4n s MET 63 N 1.77 3.95 -0.01 0.00 -1.94 0.15 -3.01 119.30 120.22 1x4n s MET 63 Ca 0.01 1.08 -0.03 0.00 -1.71 0.00 0.00 55.69 55.03 1x4n s MET 63 Cb -0.16 -3.82 -0.04 0.00 2.01 0.00 0.00 34.83 32.82 1x4n s MET 63 CO -0.07 -1.07 0.19 -0.51 -0.01 0.00 0.00 175.02 173.55 1x4n s LEU 64 N 4.09 4.37 -0.08 -0.03 1.43 -0.87 0.15 118.68 127.74 1x4n s LEU 64 Ca 0.51 0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 53.95 1x4n s LEU 64 Cb -0.13 -2.61 0.04 0.00 0.03 0.00 0.00 46.19 43.51 1x4n s LEU 64 CO 0.21 0.26 0.18 -0.89 0.23 0.00 0.00 176.35 176.34 1x4n s THR 65 N -1.32 -0.06 -5.00 5.49 2.01 -0.90 -2.43 115.64 113.43 1x4n s THR 65 Ca 0.27 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.45 1x4n s THR 65 Cb -0.13 -0.29 0.00 0.00 0.01 0.00 0.00 72.50 72.09 1x4n s THR 65 CO 0.18 0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.79 1x4n n GLY 66 N 4.27 0.85 3.57 4.40 0.00 -1.07 -1.37 105.19 115.85 1x4n n GLY 66 Ca -0.25 -1.85 -0.31 0.00 0.00 0.00 0.00 46.02 43.61 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 9.00 0.00 0.08 2.61 -2.24 -1.26 -2.47 114.28 120.00 1x4n n THR 67 Ca 0.00 -0.12 -0.08 0.00 -2.27 0.00 0.00 64.05 61.58 1x4n n THR 67 Cb 0.00 -0.91 0.02 0.00 -2.10 0.00 0.00 70.33 67.34 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 -1.97 0.24 0.00 -0.78 0.13 -1.94 -1.61 132.00 126.07 1x4n h PRO 68 Ca -0.46 -0.23 -0.05 0.00 -0.87 0.00 0.00 66.00 64.38 1x4n h PRO 68 Cb 1.29 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 1x4n h PRO 68 CO 0.41 0.93 -0.25 0.93 -0.23 0.00 0.00 178.00 179.79 1x4n h GLU 69 N 0.14 0.00 0.12 0.86 5.08 -1.99 -2.46 114.58 116.34 1x4n h GLU 69 Ca -0.04 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.01 1x4n h GLU 69 Cb 1.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 1x4n h GLU 69 CO 0.13 0.25 -1.60 0.77 -1.00 0.00 0.00 179.01 177.55 1x4n h SER 70 N 0.00 0.40 -0.41 1.42 0.02 -1.78 -2.77 113.55 110.43 1x4n h SER 70 Ca -0.00 -0.59 -0.00 0.00 -0.84 0.00 0.00 61.79 60.35 1x4n h SER 70 Cb 0.78 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 1x4n h SER 70 CO 0.03 1.50 0.24 0.58 -1.14 0.00 0.00 176.83 178.05 1x4n h VAL 71 N 0.07 1.13 0.13 2.27 2.07 -1.14 -0.10 116.25 120.69 1x4n h VAL 71 Ca -0.27 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1x4n h VAL 71 Cb 2.03 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1x4n h VAL 71 CO 0.15 0.13 -0.06 1.56 0.02 0.00 0.00 177.57 179.37 1x4n h GLN 72 N 0.54 -0.17 -0.66 1.57 7.50 -1.57 -0.56 115.11 121.76 1x4n h GLN 72 Ca 0.15 0.01 0.14 0.00 0.50 0.00 0.00 58.65 59.45 1x4n h GLN 72 Cb 0.00 0.04 -0.11 0.00 0.05 0.00 0.00 27.48 27.46 1x4n h GLN 72 CO -0.03 0.14 0.03 0.77 -1.50 0.00 0.00 178.83 178.24 1x4n h SER 73 N -0.49 -0.23 -0.12 1.46 0.02 -1.34 0.18 113.55 113.04 1x4n h SER 73 Ca -0.02 0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1x4n h SER 73 Cb 0.39 0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 1x4n h SER 73 CO 0.03 -0.11 0.06 0.00 -1.14 0.00 0.00 176.83 175.66 1x4n h ALA 74 N 1.60 0.15 -0.53 3.77 0.00 -0.93 -2.64 119.26 120.68 1x4n h ALA 74 Ca 0.36 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.30 1x4n h ALA 74 Cb 0.59 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.23 1x4n h ALA 74 CO -0.55 -0.29 -0.17 0.87 0.00 0.00 0.00 179.25 179.11 1x4n h LYS 75 N 0.06 -0.04 -0.96 0.00 1.57 0.75 0.41 116.57 118.37 1x4n h LYS 75 Ca 0.04 0.00 0.19 0.00 -1.87 0.00 0.00 60.65 59.01 1x4n h LYS 75 Cb 0.12 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.33 1x4n h LYS 75 CO -0.01 -0.03 0.55 0.00 -0.57 0.00 0.00 179.45 179.40 1x4n h ARG 76 N -0.04 0.66 -0.04 3.15 2.47 -0.46 0.37 114.38 120.49 1x4n h ARG 76 Ca 0.25 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.93 1x4n h ARG 76 Cb 0.43 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 28.60 1x4n h ARG 76 CO -0.57 0.44 0.00 -0.07 0.56 0.00 0.00 179.97 180.33 1x4n h LEU 77 N 0.68 0.07 0.23 3.04 3.38 0.03 -0.35 115.31 122.40 1x4n h LEU 77 Ca 0.56 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 1x4n h LEU 77 Cb 0.88 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1x4n h LEU 77 CO -0.40 0.33 -0.20 -0.07 0.09 0.00 0.00 178.44 178.19 1x4n h LEU 78 N -0.20 -0.53 -0.96 1.67 3.38 0.11 -1.11 115.31 117.66 1x4n h LEU 78 Ca 0.01 0.04 0.30 0.00 0.09 0.00 0.00 57.88 58.32 1x4n h LEU 78 Cb 0.29 0.17 -0.15 0.00 0.09 0.00 0.00 40.66 41.06 1x4n h LEU 78 CO 0.00 -0.27 0.44 -0.78 0.09 0.00 0.00 178.44 177.92 1x4n h ASP 79 N -0.42 0.30 0.18 -0.43 1.82 -0.43 0.18 116.42 117.62 1x4n h ASP 79 Ca -0.03 0.20 0.01 0.00 -0.39 0.00 0.00 57.03 56.82 1x4n h ASP 79 Cb 0.36 0.20 -0.04 0.00 0.68 0.00 0.00 39.33 40.53 1x4n h ASP 79 CO -0.01 -0.17 -0.47 1.56 -1.61 0.00 0.00 179.24 178.54 1x4n h GLN 80 N 0.25 -0.72 -0.67 0.28 1.08 -0.33 0.70 115.11 115.71 1x4n h GLN 80 Ca 0.68 0.05 0.13 0.00 -1.45 0.00 0.00 58.65 58.06 1x4n h GLN 80 Cb 1.53 0.16 -0.13 0.00 -0.05 0.00 0.00 27.48 28.99 1x4n h GLN 80 CO -0.65 -0.48 -0.23 0.82 -0.95 0.00 0.00 178.83 177.34 1x4n h ILE 81 N -0.75 0.25 0.29 2.54 2.04 0.58 1.50 117.51 123.95 1x4n h ILE 81 Ca -0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 1x4n h ILE 81 Cb 0.74 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1x4n h ILE 81 CO -0.23 0.00 -0.22 0.58 0.00 0.00 0.00 178.15 178.28 1x4n h VAL 82 N -0.06 0.54 -0.17 1.67 2.07 -0.77 0.36 116.25 119.88 1x4n h VAL 82 Ca 0.30 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.87 1x4n h VAL 82 Cb 0.53 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 1x4n h VAL 82 CO -0.71 0.00 -0.17 -0.08 0.02 0.00 0.00 177.57 176.63 1x4n h GLU 83 N -0.51 -0.18 0.00 1.57 4.81 0.27 0.48 114.58 121.02 1x4n h GLU 83 Ca -0.02 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1x4n h GLU 83 Cb 0.45 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 1x4n h GLU 83 CO -0.01 -0.12 -0.02 -0.22 -0.73 0.00 0.00 179.01 177.92 1x4n h LYS 84 N -0.19 0.00 -1.26 1.92 3.11 0.23 -2.08 116.57 118.30 1x4n h LYS 84 Ca 0.11 0.00 -0.56 0.00 -2.81 0.00 0.00 60.65 57.39 1x4n h LYS 84 Cb 0.35 0.00 -0.42 0.00 -1.00 0.00 0.00 32.23 31.16 1x4n h LYS 84 CO -0.28 0.02 -0.78 0.41 -2.81 0.00 0.00 179.45 176.00 1x4n n GLY 85 N -1.06 5.88 0.78 5.01 0.00 0.12 -4.72 105.19 111.20 1x4n n GLY 85 Ca -0.03 -2.65 -0.07 0.00 0.00 0.00 0.00 46.02 43.27 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 -0.53 0.15 -3.65 1.61 5.12 0.13 -4.81 116.66 114.69 1x4n n ARG 86 Ca 0.39 0.07 -0.02 0.00 -1.93 0.00 0.00 57.85 56.36 1x4n n ARG 86 Cb 0.76 -0.76 -0.04 0.00 -1.16 0.00 0.00 32.46 31.26 1x4n n ARG 86 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1x4n s SER 87 N -5.70 -0.02 0.28 0.55 1.04 -1.26 -5.09 113.70 103.50 1x4n s SER 87 Ca -0.10 0.02 -0.01 0.00 0.48 0.00 0.00 55.95 56.34 1x4n s SER 87 Cb 0.04 0.02 -0.04 0.00 0.10 0.00 0.00 66.02 66.13 1x4n s SER 87 CO 0.13 -0.02 0.49 -0.83 0.98 0.00 0.00 173.24 173.99 1x4n s GLY 88 N -1.04 1.60 -1.11 7.32 0.00 -1.26 -4.98 107.32 107.85 1x4n s GLY 88 Ca 0.09 -0.82 -0.18 0.00 0.00 0.00 0.00 44.72 43.81 1x4n s GLY 88 CO -0.08 -0.76 2.06 -1.55 0.00 0.00 0.00 173.10 172.76 1x4n n PRO 89 N -1.20 2.16 -2.36 2.90 -0.04 -1.26 -4.62 135.00 130.59 1x4n n PRO 89 Ca -0.04 -2.24 -0.01 0.00 -0.04 0.00 0.00 63.50 61.17 1x4n n PRO 89 Cb 0.55 -3.12 -0.01 0.00 -0.04 0.00 0.00 33.50 30.88 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 7.07 -7.46 -4.44 3.54 2.88 -1.26 -4.54 113.62 109.41 1x4n n SER 90 Ca 0.51 1.71 -0.46 0.00 -1.33 0.00 0.00 58.87 59.30 1x4n n SER 90 Cb 0.40 -4.74 -0.12 0.00 -0.75 0.00 0.00 64.21 59.00 1x4n n SER 90 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x4n n SER 91 N 1.88 0.85 0.00 -3.46 2.88 -1.26 -5.30 113.62 109.21 1x4n n SER 91 Ca -0.05 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1x4n n SER 91 Cb 0.07 -1.03 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 1x4n n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42