#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 -1.90 -1.43 1.61 7.64 -1.26 -5.17 113.62 113.11 1x4n n SER 2 Ca 0.00 0.64 0.18 0.00 1.01 0.00 0.00 58.87 60.70 1x4n n SER 2 Cb 0.00 2.01 -0.08 0.00 -1.01 0.00 0.00 64.21 65.13 1x4n n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x4n n SER 3 N -3.13 -8.20 0.00 6.43 2.88 -1.26 -5.07 113.62 105.28 1x4n n SER 3 Ca 0.00 1.25 0.00 0.00 -1.33 0.00 0.00 58.87 58.79 1x4n n SER 3 Cb 0.00 -4.79 0.00 0.00 -0.75 0.00 0.00 64.21 58.67 1x4n n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4n n GLY 4 N -4.32 0.76 3.09 0.46 0.00 -1.26 -5.07 105.19 98.85 1x4n n GLY 4 Ca -0.07 -2.28 0.05 0.00 0.00 0.00 0.00 46.02 43.72 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 -0.93 -0.57 0.26 1.61 1.04 -1.26 -5.17 113.70 108.68 1x4n s SER 5 Ca 0.00 -0.00 0.11 0.00 0.48 0.00 0.00 55.95 56.53 1x4n s SER 5 Cb 0.00 1.22 -0.05 0.00 0.10 0.00 0.00 66.02 67.30 1x4n s SER 5 CO 0.00 -0.10 -0.13 -0.55 0.98 0.00 0.00 173.24 173.45 1x4n s SER 6 N 2.73 3.97 0.00 7.02 0.15 -1.26 -5.08 113.70 121.23 1x4n s SER 6 Ca 0.23 -0.84 0.00 0.00 0.70 0.00 0.00 55.95 56.04 1x4n s SER 6 Cb -0.02 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.77 1x4n s SER 6 CO -0.21 0.04 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1x4n n GLY 7 N -0.58 -0.70 1.40 9.45 0.00 -1.26 -5.16 105.19 108.35 1x4n n GLY 7 Ca -0.07 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.37 -3.63 1.61 -0.00 -1.26 -5.09 115.22 103.48 1x4n n HIS 8 Ca 0.00 1.87 -0.10 0.00 -0.00 0.00 0.00 57.72 59.49 1x4n n HIS 8 Cb 0.00 -3.08 -0.07 0.00 -0.00 0.00 0.00 29.99 26.84 1x4n n HIS 8 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.34 177.48 1x4n s GLN 9 N -2.17 0.55 0.29 -0.41 -2.07 -1.26 -5.07 119.66 109.51 1x4n s GLN 9 Ca 0.00 0.62 0.00 0.00 -1.82 0.00 0.00 55.36 54.16 1x4n s GLN 9 Cb 0.00 0.27 0.00 0.00 -1.09 0.00 0.00 33.01 32.19 1x4n s GLN 9 CO 0.00 -0.07 0.00 1.04 -1.32 0.00 0.00 175.29 174.94 1x4n n GLN 10 N 2.19 0.00 0.00 9.60 3.00 -1.26 -5.15 117.38 125.76 1x4n n GLN 10 Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.86 1x4n n GLN 10 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.80 1x4n n GLN 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1x4n n GLN 11 N -3.23 0.00 0.07 -1.09 10.64 -1.26 -4.97 117.38 117.53 1x4n n GLN 11 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1x4n n GLN 11 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1x4n n GLN 11 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 1x4n n ARG 12 N -0.15 0.00 -3.88 2.61 0.63 -1.26 -5.16 116.66 109.44 1x4n n ARG 12 Ca 0.00 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.75 1x4n n ARG 12 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 1x4n n ARG 12 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1x4n n SER 13 N -2.94 0.01 -4.30 6.15 7.64 -1.26 -5.17 113.62 113.75 1x4n n SER 13 Ca 0.00 -2.79 -0.23 0.00 1.01 0.00 0.00 58.87 56.85 1x4n n SER 13 Cb 0.00 1.20 -0.12 0.00 -1.01 0.00 0.00 64.21 64.27 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 -3.01 1.73 0.21 0.44 1.01 -1.26 -4.65 120.40 114.87 1x4n s VAL 14 Ca 0.27 -1.65 0.04 0.00 0.00 0.00 0.00 61.98 60.64 1x4n s VAL 14 Cb 0.01 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 1x4n s VAL 14 CO 0.19 -0.14 -0.03 0.00 0.00 0.00 0.00 175.10 175.12 1x4n s MET 15 N -2.18 1.28 -0.06 2.72 0.23 -1.12 -4.91 119.30 115.26 1x4n s MET 15 Ca 0.09 -1.62 0.06 0.00 -1.03 0.00 0.00 55.69 53.19 1x4n s MET 15 Cb -0.09 -0.66 -0.01 0.00 -1.53 0.00 0.00 34.83 32.55 1x4n s MET 15 CO 0.05 -0.04 -0.25 0.99 -2.03 0.00 0.00 175.02 173.74 1x4n s THR 16 N -3.37 2.03 0.35 3.16 2.01 -1.26 -2.31 115.64 116.25 1x4n s THR 16 Ca 0.25 -1.05 0.06 0.00 0.31 0.00 0.00 61.69 61.26 1x4n s THR 16 Cb 0.05 -1.72 -0.07 0.00 0.01 0.00 0.00 72.50 70.77 1x4n s THR 16 CO 0.07 0.56 0.00 -0.70 -0.69 0.00 0.00 174.62 173.87 1x4n s GLU 17 N -0.15 1.76 -0.33 4.92 2.12 -0.94 -4.99 118.70 121.09 1x4n s GLU 17 Ca -0.04 -1.96 0.02 0.00 0.36 0.00 0.00 54.97 53.35 1x4n s GLU 17 Cb -0.14 -1.28 0.10 0.00 0.26 0.00 0.00 34.13 33.07 1x4n s GLU 17 CO 0.04 -0.06 0.07 -2.00 -0.54 0.00 0.00 175.26 172.76 1x4n s GLU 18 N -3.77 1.16 -0.13 4.30 2.12 -1.26 -3.02 118.70 118.09 1x4n s GLU 18 Ca 0.34 -1.53 -0.03 0.00 0.36 0.00 0.00 54.97 54.11 1x4n s GLU 18 Cb 0.08 -2.69 -0.03 0.00 0.26 0.00 0.00 34.13 31.75 1x4n s GLU 18 CO 0.16 -0.96 -0.02 -0.47 -0.54 0.00 0.00 175.26 173.43 1x4n s TYR 19 N 1.21 3.07 -0.00 5.30 5.04 -1.11 -4.97 117.35 125.89 1x4n s TYR 19 Ca 0.10 -0.12 -0.00 0.00 -2.44 0.00 0.00 57.07 54.61 1x4n s TYR 19 Cb -0.18 -1.91 -0.04 0.00 0.35 0.00 0.00 41.96 40.18 1x4n s TYR 19 CO -0.15 0.13 0.07 0.15 -1.34 0.00 0.00 175.55 174.40 1x4n s LYS 20 N -0.02 3.02 0.07 4.97 1.02 -1.26 -0.34 119.74 127.20 1x4n s LYS 20 Ca 0.02 -0.50 -0.01 0.00 0.02 0.00 0.00 55.97 55.49 1x4n s LYS 20 Cb -0.13 -2.83 -0.04 0.00 -0.52 0.00 0.00 37.83 34.31 1x4n s LYS 20 CO 0.02 0.64 -0.01 0.14 -0.92 0.00 0.00 175.35 175.23 1x4n s VAL 21 N -1.18 0.19 -0.25 3.17 -7.23 -1.15 -4.95 120.40 109.00 1x4n s VAL 21 Ca 0.22 -1.83 -0.29 0.00 -1.81 0.00 0.00 61.98 58.27 1x4n s VAL 21 Cb -0.12 -1.64 -0.01 0.00 0.56 0.00 0.00 36.38 35.17 1x4n s VAL 21 CO 0.13 -0.88 1.32 -2.16 -0.31 0.00 0.00 175.10 173.21 1x4n s PRO 22 N -3.95 3.99 0.65 4.82 0.04 -1.26 -0.31 135.00 138.98 1x4n s PRO 22 Ca 0.11 1.41 0.28 0.00 0.04 0.00 0.00 61.00 62.84 1x4n s PRO 22 Cb 0.08 -3.86 1.52 0.00 0.04 0.00 0.00 34.50 32.27 1x4n s PRO 22 CO -0.07 -1.02 1.87 0.22 0.04 0.00 0.00 177.00 178.04 1x4n h ASP 23 N 9.13 0.00 0.00 6.66 3.58 -1.87 1.49 116.42 135.42 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 1.01 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.98 1x4n n GLY 24 N -1.31 -0.96 0.80 -0.78 0.00 -1.26 -3.71 105.19 97.98 1x4n n GLY 24 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.78 0.00 -0.32 1.61 2.81 0.49 -4.82 117.12 116.11 1x4n n MET 25 Ca 0.13 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 56.03 1x4n n MET 25 Cb 0.06 -0.46 0.08 0.00 -0.71 0.00 0.00 33.22 32.19 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 0.09 -1.19 2.03 3.04 -1.10 1.66 116.25 120.78 1x4n h VAL 26 Ca 0.00 0.00 0.35 0.00 -1.01 0.00 0.00 66.70 66.04 1x4n h VAL 26 Cb 0.43 0.09 -0.10 0.00 -2.01 0.00 0.00 31.29 29.71 1x4n h VAL 26 CO 0.00 0.00 0.79 1.23 -1.01 0.00 0.00 177.57 178.58 1x4n h GLY 27 N -0.03 1.00 1.21 3.17 0.00 -1.83 1.07 103.07 107.66 1x4n h GLY 27 Ca 0.37 -0.13 -0.14 0.00 0.00 0.00 0.00 47.33 47.43 1x4n h GLY 27 CO -0.90 -0.20 -1.18 -2.75 0.00 0.00 0.00 176.54 171.52 1x4n h PHE 28 N 0.21 0.00 0.00 5.60 3.57 0.19 -3.30 116.94 123.22 1x4n h PHE 28 Ca 0.68 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 62.15 1x4n h PHE 28 Cb 2.06 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.80 1x4n h PHE 28 CO -0.00 0.51 -0.13 0.82 -2.23 0.00 0.00 178.31 177.27 1x4n h ILE 29 N 0.00 0.85 0.81 1.41 2.04 0.48 -2.90 117.51 120.20 1x4n h ILE 29 Ca -0.11 -0.50 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 1x4n h ILE 29 Cb 1.49 1.29 0.01 0.00 -0.74 0.00 0.00 36.82 38.87 1x4n h ILE 29 CO 0.05 0.13 -0.39 0.40 0.00 0.00 0.00 178.15 178.34 1x4n h ILE 30 N 0.00 0.00 0.00 -0.67 2.04 -1.34 -1.52 117.51 116.02 1x4n h ILE 30 Ca -0.00 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1x4n h ILE 30 Cb 0.28 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1x4n h ILE 30 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.78 1x4n n GLY 31 N -1.32 0.91 3.57 5.37 0.00 -1.10 -0.34 105.19 112.29 1x4n n GLY 31 Ca -0.14 -2.09 -0.21 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.44 1.96 0.00 1.61 6.06 -1.26 -1.67 118.95 124.21 1x4n s ARG 32 Ca 0.00 -0.51 0.00 0.00 -2.50 0.00 0.00 55.73 52.72 1x4n s ARG 32 Cb 0.00 -5.05 0.00 0.00 0.06 0.00 0.00 34.95 29.96 1x4n s ARG 32 CO 0.00 -4.41 0.00 0.41 -2.50 0.00 0.00 175.30 168.80 1x4n n GLY 33 N 6.28 2.99 0.00 8.12 0.00 -1.26 -4.38 105.19 116.95 1x4n n GLY 33 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 -1.29 1.58 0.08 -0.02 0.00 -0.67 -5.02 105.19 99.85 1x4n n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.31 0.64 -0.03 1.61 -0.00 -0.87 -3.34 120.64 118.33 1x4n n GLU 35 Ca 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 57.16 57.25 1x4n n GLU 35 Cb 0.00 -1.69 0.30 0.00 -0.00 0.00 0.00 31.44 30.05 1x4n n GLU 35 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 1x4n h GLN 36 N 0.00 0.60 0.15 3.44 5.75 -0.87 -1.54 115.11 122.64 1x4n h GLN 36 Ca -0.21 -0.10 -0.31 0.00 -0.15 0.00 0.00 58.65 57.89 1x4n h GLN 36 Cb 1.59 -0.10 0.01 0.00 1.07 0.00 0.00 27.48 30.04 1x4n h GLN 36 CO 0.03 0.55 -1.46 0.97 -2.65 0.00 0.00 178.83 176.27 1x4n h ILE 37 N 0.59 1.25 -1.00 2.39 -0.00 -0.28 -3.27 117.51 117.20 1x4n h ILE 37 Ca 0.14 -2.83 0.11 0.00 -0.00 0.00 0.00 64.86 62.27 1x4n h ILE 37 Cb 0.21 2.86 -0.08 0.00 -0.00 0.00 0.00 36.82 39.81 1x4n h ILE 37 CO -0.01 0.84 0.63 -1.28 -0.00 0.00 0.00 178.15 178.34 1x4n h SER 38 N 0.09 0.94 -0.17 2.19 0.87 -1.45 0.20 113.55 116.22 1x4n h SER 38 Ca -0.22 0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.32 1x4n h SER 38 Cb 2.04 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 63.83 1x4n h SER 38 CO 0.19 0.53 -0.06 0.03 -0.53 0.00 0.00 176.83 176.99 1x4n h ARG 39 N 1.03 0.49 -0.24 2.24 3.08 -1.37 0.37 114.38 119.99 1x4n h ARG 39 Ca 0.48 -0.12 -0.20 0.00 0.07 0.00 0.00 59.98 60.21 1x4n h ARG 39 Cb 0.42 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1x4n h ARG 39 CO -0.24 0.57 -0.63 0.82 -1.07 0.00 0.00 179.97 179.42 1x4n h ILE 40 N 0.46 1.28 -0.13 2.04 2.04 -0.82 0.95 117.51 123.33 1x4n h ILE 40 Ca 0.09 -1.82 -0.14 0.00 1.00 0.00 0.00 64.86 63.99 1x4n h ILE 40 Cb 0.40 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 1x4n h ILE 40 CO 0.02 0.59 -0.54 1.56 0.00 0.00 0.00 178.15 179.78 1x4n h GLN 41 N 0.61 0.37 0.00 2.37 4.20 -0.25 -1.58 115.11 120.83 1x4n h GLN 41 Ca -0.01 -0.23 -0.10 0.00 0.06 0.00 0.00 58.65 58.37 1x4n h GLN 41 Cb 1.24 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 29.03 1x4n h GLN 41 CO 0.13 0.82 -0.87 1.96 -0.67 0.00 0.00 178.83 180.21 1x4n h GLN 42 N 0.29 0.00 -0.02 1.46 1.08 -0.19 0.29 115.11 118.02 1x4n h GLN 42 Ca 0.01 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 1x4n h GLN 42 Cb 1.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.47 1x4n h GLN 42 CO 0.09 0.28 -0.06 0.93 -0.95 0.00 0.00 178.83 179.13 1x4n h GLU 43 N 0.00 0.08 -0.00 1.46 4.39 0.11 -3.26 114.58 117.36 1x4n h GLU 43 Ca -0.06 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1x4n h GLU 43 Cb 1.35 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 1x4n h GLU 43 CO 0.04 0.66 -0.72 -1.13 -1.16 0.00 0.00 179.01 176.70 1x4n n SER 44 N -4.72 0.82 -1.94 1.42 3.41 -0.61 -4.95 113.62 107.04 1x4n n SER 44 Ca -0.08 -0.68 -0.19 0.00 -0.26 0.00 0.00 58.87 57.66 1x4n n SER 44 Cb 0.34 0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 64.85 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 1.49 0.35 3.70 5.00 0.00 0.93 -4.67 105.19 111.99 1x4n n GLY 45 Ca 0.05 -0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.31 4.26 -0.21 0.00 2.20 -0.56 -4.42 119.74 117.69 1x4n s LYS 47 Ca 0.30 0.83 -0.03 0.00 -0.36 0.00 0.00 55.97 56.71 1x4n s LYS 47 Cb -0.08 -3.05 0.07 0.00 -1.51 0.00 0.00 37.83 33.25 1x4n s LYS 47 CO 0.21 0.50 0.05 0.42 -0.36 0.00 0.00 175.35 176.17 1x4n s ILE 48 N -1.34 0.48 -0.48 5.43 1.01 -1.26 -2.38 121.20 122.66 1x4n s ILE 48 Ca 0.37 -0.65 -0.10 0.00 0.00 0.00 0.00 60.65 60.27 1x4n s ILE 48 Cb -0.18 -1.08 0.12 0.00 0.01 0.00 0.00 42.46 41.33 1x4n s ILE 48 CO 0.21 -0.31 0.37 -1.10 0.00 0.00 0.00 174.94 174.11 1x4n s GLN 49 N 1.86 2.56 -0.03 2.79 -0.21 0.31 -4.93 119.66 122.01 1x4n s GLN 49 Ca 0.01 -1.75 -0.11 0.00 0.02 0.00 0.00 55.36 53.53 1x4n s GLN 49 Cb -0.17 -3.98 -0.05 0.00 1.00 0.00 0.00 33.01 29.81 1x4n s GLN 49 CO -0.12 -1.21 0.31 0.42 -2.12 0.00 0.00 175.29 172.56 1x4n s ILE 50 N 1.40 5.21 0.68 1.08 1.01 -1.26 0.10 121.20 129.43 1x4n s ILE 50 Ca 0.05 0.55 -0.15 0.00 0.00 0.00 0.00 60.65 61.10 1x4n s ILE 50 Cb -0.27 -3.59 0.01 0.00 0.01 0.00 0.00 42.46 38.62 1x4n s ILE 50 CO -0.00 0.56 1.16 0.00 0.00 0.00 0.00 174.94 176.66 1x4n s ALA 51 N -1.10 2.31 0.14 9.38 0.00 -1.22 -4.95 121.76 126.32 1x4n s ALA 51 Ca 0.22 0.76 -0.04 0.00 0.00 0.00 0.00 51.96 52.89 1x4n s ALA 51 Cb -0.15 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 1x4n s ALA 51 CO 0.11 -1.53 1.34 -1.00 0.00 0.00 0.00 175.76 174.68 1x4n h PRO 52 N -0.01 0.44 -2.65 0.00 0.13 -1.97 -3.42 132.00 124.51 1x4n h PRO 52 Ca -0.48 -0.42 -0.39 0.00 -0.87 0.00 0.00 66.00 63.84 1x4n h PRO 52 Cb 1.27 0.11 -0.37 0.00 0.13 0.00 0.00 31.00 32.14 1x4n h PRO 52 CO 0.52 1.07 -0.68 -0.51 -0.23 0.00 0.00 178.00 178.17 1x4n s ASP 53 N -7.05 1.98 0.35 1.44 1.01 -1.26 -5.01 116.67 108.12 1x4n s ASP 53 Ca -0.06 -0.54 0.14 0.00 0.71 0.00 0.00 52.55 52.79 1x4n s ASP 53 Cb 0.09 0.13 1.12 0.00 1.01 0.00 0.00 42.92 45.27 1x4n s ASP 53 CO 0.86 -0.36 1.58 0.77 0.21 0.00 0.00 175.17 178.23 1x4n h SER 54 N 8.35 0.02 0.00 0.27 4.64 -1.94 -3.44 113.55 121.45 1x4n h SER 54 Ca -0.16 0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1x4n h SER 54 Cb 1.12 0.35 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 1x4n h SER 54 CO 0.31 -0.40 0.00 0.61 -0.87 0.00 0.00 176.83 176.48 1x4n n GLY 55 N -1.35 1.13 0.82 -0.77 0.00 -1.26 -4.24 105.19 99.52 1x4n n GLY 55 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.71 0.78 3.82 -0.02 0.00 -1.26 -5.06 105.19 101.74 1x4n n GLY 56 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 3.41 0.43 0.99 2.01 -1.26 -4.95 118.68 119.31 1x4n s LEU 57 Ca 0.00 1.68 0.24 0.00 0.01 0.00 0.00 54.13 56.06 1x4n s LEU 57 Cb 0.00 -4.51 0.71 0.00 0.01 0.00 0.00 46.19 42.40 1x4n s LEU 57 CO 0.00 -1.09 1.73 1.55 1.01 0.00 0.00 176.35 179.55 1x4n h PRO 58 N 0.18 0.00 -4.24 1.29 0.13 -1.96 -3.44 132.00 123.96 1x4n h PRO 58 Ca -0.46 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.28 1x4n h PRO 58 Cb 1.21 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.02 1x4n h PRO 58 CO 0.58 0.17 -0.77 -1.21 -0.23 0.00 0.00 178.00 176.54 1x4n s GLU 59 N -3.41 0.77 -0.38 0.86 8.01 -1.26 -3.22 118.70 120.07 1x4n s GLU 59 Ca 0.03 -0.18 -0.19 0.00 0.01 0.00 0.00 54.97 54.64 1x4n s GLU 59 Cb 0.08 -0.76 0.01 0.00 -4.31 0.00 0.00 34.13 29.15 1x4n s GLU 59 CO 0.65 0.02 0.57 0.50 0.01 0.00 0.00 175.26 177.00 1x4n s ARG 60 N 0.48 3.49 0.42 1.61 3.52 0.58 -4.79 118.95 124.26 1x4n s ARG 60 Ca -0.07 -0.23 -0.26 0.00 -0.13 0.00 0.00 55.73 55.04 1x4n s ARG 60 Cb -0.10 -3.86 -0.09 0.00 -1.56 0.00 0.00 34.95 29.34 1x4n s ARG 60 CO 0.00 -0.79 1.36 0.45 -0.81 0.00 0.00 175.30 175.52 1x4n s SER 61 N 1.84 6.16 -0.11 -2.12 0.15 -1.26 -2.93 113.70 115.43 1x4n s SER 61 Ca 0.20 2.78 -0.01 0.00 0.70 0.00 0.00 55.95 59.62 1x4n s SER 61 Cb -0.15 -2.65 0.03 0.00 -1.71 0.00 0.00 66.02 61.54 1x4n s SER 61 CO 0.15 -0.97 -0.07 0.00 1.20 0.00 0.00 173.24 173.56 1x4n s MET 63 N 1.74 3.91 -0.04 0.00 -1.94 0.29 -2.73 119.30 120.53 1x4n s MET 63 Ca 0.05 0.69 -0.03 0.00 -1.71 0.00 0.00 55.69 54.69 1x4n s MET 63 Cb -0.13 -3.78 -0.04 0.00 2.01 0.00 0.00 34.83 32.90 1x4n s MET 63 CO -0.08 -0.89 0.15 -0.51 -0.01 0.00 0.00 175.02 173.68 1x4n s LEU 64 N 3.43 4.27 -0.08 -0.03 1.02 -1.17 0.12 118.68 126.24 1x4n s LEU 64 Ca 0.39 0.34 -0.03 0.00 0.02 0.00 0.00 54.13 54.84 1x4n s LEU 64 Cb -0.12 -2.39 0.05 0.00 0.02 0.00 0.00 46.19 43.75 1x4n s LEU 64 CO 0.17 0.31 0.17 -0.89 0.02 0.00 0.00 176.35 176.13 1x4n s THR 65 N -1.21 -0.17 -5.00 5.49 2.01 -1.00 -2.22 115.64 113.53 1x4n s THR 65 Ca 0.23 0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.48 1x4n s THR 65 Cb -0.12 -0.30 0.00 0.00 0.01 0.00 0.00 72.50 72.09 1x4n s THR 65 CO 0.13 0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.78 1x4n n GLY 66 N 4.77 0.44 3.54 4.40 0.00 -0.98 -1.49 105.19 115.86 1x4n n GLY 66 Ca -0.16 -1.66 -0.31 0.00 0.00 0.00 0.00 46.02 43.89 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 0.01 2.61 -2.24 -1.26 -2.81 114.28 119.59 1x4n n THR 67 Ca 0.00 -0.16 -0.19 0.00 -2.27 0.00 0.00 64.05 61.44 1x4n n THR 67 Cb 0.00 -0.88 -0.09 0.00 -2.10 0.00 0.00 70.33 67.26 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 -2.00 0.66 0.00 -0.78 0.13 -1.95 -1.95 132.00 126.10 1x4n h PRO 68 Ca -0.48 -0.64 -0.07 0.00 -0.87 0.00 0.00 66.00 63.94 1x4n h PRO 68 Cb 1.29 0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.58 1x4n h PRO 68 CO 0.41 1.24 -0.35 0.93 -0.23 0.00 0.00 178.00 180.00 1x4n h GLU 69 N 0.31 0.00 0.02 0.86 3.07 -1.99 -2.07 114.58 114.78 1x4n h GLU 69 Ca -0.09 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.55 1x4n h GLU 69 Cb 1.49 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.40 1x4n h GLU 69 CO 0.17 0.35 -0.94 0.77 -1.40 0.00 0.00 179.01 177.96 1x4n h SER 70 N 0.00 0.36 -0.41 1.42 0.02 -1.82 -2.15 113.55 110.97 1x4n h SER 70 Ca -0.00 -0.30 -0.04 0.00 -0.84 0.00 0.00 61.79 60.61 1x4n h SER 70 Cb 0.63 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 1x4n h SER 70 CO 0.05 1.12 0.11 0.58 -1.14 0.00 0.00 176.83 177.54 1x4n h VAL 71 N 0.14 1.23 0.37 2.27 2.07 -0.88 -1.01 116.25 120.43 1x4n h VAL 71 Ca -0.06 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 1x4n h VAL 71 Cb 1.59 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1x4n h VAL 71 CO 0.15 0.27 -0.18 1.56 0.02 0.00 0.00 177.57 179.40 1x4n h GLN 72 N 0.53 -0.47 -0.38 1.57 4.20 -1.40 -1.18 115.11 117.97 1x4n h GLN 72 Ca 0.13 0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.95 1x4n h GLN 72 Cb 0.30 0.11 -0.09 0.00 0.30 0.00 0.00 27.48 28.10 1x4n h GLN 72 CO 0.00 -0.19 -0.38 0.77 -0.67 0.00 0.00 178.83 178.36 1x4n h SER 73 N -0.73 -1.27 -0.31 1.46 0.02 -1.35 0.48 113.55 111.86 1x4n h SER 73 Ca -0.05 0.20 0.07 0.00 -0.84 0.00 0.00 61.79 61.17 1x4n h SER 73 Cb 0.50 0.57 -0.07 0.00 0.14 0.00 0.00 62.40 63.54 1x4n h SER 73 CO 0.08 -0.35 -0.17 0.00 -1.14 0.00 0.00 176.83 175.25 1x4n h ALA 74 N 0.55 0.06 -0.47 3.77 0.00 -1.17 -1.47 119.26 120.53 1x4n h ALA 74 Ca 0.15 0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.25 1x4n h ALA 74 Cb 0.57 0.39 -0.10 0.00 0.00 0.00 0.00 17.79 18.65 1x4n h ALA 74 CO -0.55 -0.56 -0.44 0.87 0.00 0.00 0.00 179.25 178.58 1x4n h LYS 75 N -0.13 -0.28 -0.74 0.00 1.57 0.24 0.26 116.57 117.49 1x4n h LYS 75 Ca 0.16 0.02 0.17 0.00 -1.87 0.00 0.00 60.65 59.12 1x4n h LYS 75 Cb 0.37 0.06 -0.13 0.00 0.08 0.00 0.00 32.23 32.61 1x4n h LYS 75 CO -0.38 -0.19 -0.01 0.00 -0.57 0.00 0.00 179.45 178.30 1x4n h ARG 76 N -0.29 0.09 -0.67 3.15 2.47 0.00 0.82 114.38 119.96 1x4n h ARG 76 Ca 0.15 -0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.89 1x4n h ARG 76 Cb 0.58 -0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.83 1x4n h ARG 76 CO -0.62 0.06 0.42 -0.07 0.56 0.00 0.00 179.97 180.33 1x4n h LEU 77 N 0.10 0.70 0.74 3.04 3.38 0.19 0.48 115.31 123.94 1x4n h LEU 77 Ca 0.40 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.33 1x4n h LEU 77 Cb 0.69 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.29 1x4n h LEU 77 CO -0.65 0.49 -0.36 -0.07 0.09 0.00 0.00 178.44 177.94 1x4n h LEU 78 N 0.84 -0.84 -0.57 1.67 3.38 0.29 -2.82 115.31 117.25 1x4n h LEU 78 Ca 0.26 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.38 1x4n h LEU 78 Cb -0.01 0.22 -0.11 0.00 0.09 0.00 0.00 40.66 40.85 1x4n h LEU 78 CO -0.10 -0.53 -0.19 -0.78 0.09 0.00 0.00 178.44 176.93 1x4n h ASP 79 N -1.13 -0.68 -0.76 -0.43 3.58 0.53 -1.45 116.42 116.08 1x4n h ASP 79 Ca -0.10 0.19 0.07 0.00 0.42 0.00 0.00 57.03 57.60 1x4n h ASP 79 Cb 0.76 0.41 -0.09 0.00 1.72 0.00 0.00 39.33 42.13 1x4n h ASP 79 CO 0.17 -0.22 -0.45 0.00 -2.88 0.00 0.00 179.24 175.86 1x4n n GLN 80 N -5.42 -0.33 -0.31 0.28 1.13 0.17 0.39 117.38 113.29 1x4n n GLN 80 Ca 0.06 1.33 -0.02 0.00 -1.94 0.00 0.00 57.00 56.42 1x4n n GLN 80 Cb 0.32 -1.96 0.03 0.00 0.11 0.00 0.00 30.24 28.74 1x4n n GLN 80 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1x4n h ILE 81 N 0.00 0.07 -0.06 5.09 2.04 -1.01 1.57 117.51 125.20 1x4n h ILE 81 Ca 0.12 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.02 1x4n h ILE 81 Cb 0.31 0.07 -0.06 0.00 -0.74 0.00 0.00 36.82 36.40 1x4n h ILE 81 CO -0.71 0.00 -0.36 0.58 0.00 0.00 0.00 178.15 177.66 1x4n h VAL 82 N -0.06 0.24 0.19 1.67 2.07 0.13 0.75 116.25 121.23 1x4n h VAL 82 Ca 0.31 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.84 1x4n h VAL 82 Cb 0.58 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1x4n h VAL 82 CO -0.87 0.00 -0.23 -0.33 0.02 0.00 0.00 177.57 176.16 1x4n h GLU 83 N -0.47 -0.45 -0.61 1.57 4.39 0.23 0.11 114.58 119.35 1x4n h GLU 83 Ca 0.07 0.03 0.18 0.00 0.34 0.00 0.00 59.36 59.98 1x4n h GLU 83 Cb 0.59 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.31 1x4n h GLU 83 CO -0.33 -0.30 0.44 -0.22 -1.16 0.00 0.00 179.01 177.45 1x4n h LYS 84 N -0.46 0.00 -1.71 2.33 3.64 0.26 -1.09 116.57 119.53 1x4n h LYS 84 Ca 0.01 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.78 1x4n h LYS 84 Cb 0.45 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 31.86 1x4n h LYS 84 CO -0.08 0.00 -0.56 0.41 -2.27 0.00 0.00 179.45 176.95 1x4n n GLY 85 N -1.65 5.91 0.49 5.01 0.00 0.26 -4.36 105.19 110.83 1x4n n GLY 85 Ca 0.12 -2.75 0.00 0.00 0.00 0.00 0.00 46.02 43.39 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 -0.43 0.00 -3.73 1.61 5.12 0.22 -4.80 116.66 114.65 1x4n n ARG 86 Ca 0.39 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 56.02 1x4n n ARG 86 Cb 0.57 -0.74 -0.16 0.00 -1.16 0.00 0.00 32.46 30.98 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 -4.42 3.37 0.00 0.55 0.01 -1.25 -5.09 113.70 106.87 1x4n s SER 87 Ca 0.00 -1.14 0.00 0.00 1.31 0.00 0.00 55.95 56.12 1x4n s SER 87 Cb 0.00 -0.69 0.00 0.00 0.21 0.00 0.00 66.02 65.54 1x4n s SER 87 CO 0.00 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 173.91 1x4n n GLY 88 N 4.98 -2.95 2.89 3.44 0.00 -1.26 -4.99 105.19 107.30 1x4n n GLY 88 Ca -0.07 -1.78 -0.23 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.45 -1.83 -0.04 1.61 -0.04 -1.26 -4.77 135.00 128.22 1x4n n PRO 89 Ca 0.00 -1.49 -0.00 0.00 -0.04 0.00 0.00 63.50 61.96 1x4n n PRO 89 Cb 0.00 -1.18 -0.00 0.00 -0.04 0.00 0.00 33.50 32.28 1x4n n PRO 89 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1x4n h SER 90 N -1.85 0.00 -3.73 3.54 0.87 -1.95 -3.46 113.55 106.98 1x4n h SER 90 Ca -0.33 0.00 -0.42 0.00 -1.23 0.00 0.00 61.79 59.81 1x4n h SER 90 Cb 0.96 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 62.77 1x4n h SER 90 CO 0.22 0.42 -0.63 -0.44 -0.53 0.00 0.00 176.83 175.88 1x4n s SER 91 N -5.09 1.94 0.00 6.23 0.01 -1.26 -5.07 113.70 110.46 1x4n s SER 91 Ca -0.01 -1.33 0.02 0.00 1.31 0.00 0.00 55.95 55.95 1x4n s SER 91 Cb 0.00 0.00 0.15 0.00 0.21 0.00 0.00 66.02 66.38 1x4n s SER 91 CO 0.01 -0.60 0.63 0.61 0.41 0.00 0.00 173.24 174.31