#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 -7.30 -3.15 1.61 2.88 -1.26 -5.02 113.62 101.37 1x4n n SER 2 Ca 0.00 1.28 0.06 0.00 -1.33 0.00 0.00 58.87 58.88 1x4n n SER 2 Cb 0.00 -4.68 -0.02 0.00 -0.75 0.00 0.00 64.21 58.76 1x4n n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x4n s SER 3 N -7.06 -0.15 -0.19 -3.46 1.04 -1.26 -5.18 113.70 97.45 1x4n s SER 3 Ca 0.00 0.10 -0.29 0.00 0.48 0.00 0.00 55.95 56.24 1x4n s SER 3 Cb 0.00 1.13 0.13 0.00 0.10 0.00 0.00 66.02 67.38 1x4n s SER 3 CO 0.00 -0.03 1.01 -0.83 0.98 0.00 0.00 173.24 174.38 1x4n s GLY 4 N 2.91 -0.23 -0.01 7.32 0.00 -1.26 -5.17 107.32 110.88 1x4n s GLY 4 Ca -0.08 2.21 0.01 0.00 0.00 0.00 0.00 44.72 46.86 1x4n s GLY 4 CO -0.08 1.23 -0.02 -0.45 0.00 0.00 0.00 173.10 173.78 1x4n s SER 5 N -0.78 0.37 -0.34 1.64 0.15 -1.26 -5.12 113.70 108.36 1x4n s SER 5 Ca -0.00 -0.04 -0.05 0.00 0.70 0.00 0.00 55.95 56.55 1x4n s SER 5 Cb -0.02 -0.11 0.05 0.00 -1.71 0.00 0.00 66.02 64.24 1x4n s SER 5 CO -0.01 -0.01 0.10 -0.94 1.20 0.00 0.00 173.24 173.58 1x4n s SER 6 N 0.33 5.23 0.01 5.45 1.04 -1.26 -5.08 113.70 119.42 1x4n s SER 6 Ca -0.03 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.13 1x4n s SER 6 Cb -0.06 -1.84 0.00 0.00 0.10 0.00 0.00 66.02 64.23 1x4n s SER 6 CO -0.01 -0.34 0.01 0.61 0.98 0.00 0.00 173.24 174.49 1x4n n GLY 7 N 4.76 3.02 2.73 7.32 0.00 -1.26 -5.12 105.19 116.64 1x4n n GLY 7 Ca -0.12 -2.17 -0.02 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.66 -0.71 1.61 5.04 -1.26 -5.11 115.29 114.21 1x4n s HIS 8 Ca 0.00 -0.16 -0.23 0.00 -1.54 0.00 0.00 55.06 53.14 1x4n s HIS 8 Cb -0.00 0.13 0.07 0.00 0.04 0.00 0.00 32.58 32.82 1x4n s HIS 8 CO 0.00 -0.50 1.05 -0.65 -2.34 0.00 0.00 174.74 172.29 1x4n s GLN 9 N 1.15 3.18 -0.53 2.88 -0.21 -1.26 -4.93 119.66 119.94 1x4n s GLN 9 Ca 0.23 -0.84 0.04 0.00 0.02 0.00 0.00 55.36 54.81 1x4n s GLN 9 Cb 0.08 -4.33 0.15 0.00 1.00 0.00 0.00 33.01 29.91 1x4n s GLN 9 CO -0.10 -1.88 0.34 -1.14 -2.12 0.00 0.00 175.29 170.39 1x4n s GLN 10 N 4.23 1.68 -0.33 2.91 -0.44 -1.26 -5.06 119.66 121.39 1x4n s GLN 10 Ca 0.26 -2.52 -0.02 0.00 -2.50 0.00 0.00 55.36 50.57 1x4n s GLN 10 Cb -0.14 -2.65 0.07 0.00 -1.64 0.00 0.00 33.01 28.65 1x4n s GLN 10 CO 0.08 -1.23 0.06 -1.14 0.50 0.00 0.00 175.29 173.56 1x4n s GLN 11 N -0.35 2.27 0.01 1.67 2.00 -1.26 -4.92 119.66 119.08 1x4n s GLN 11 Ca 0.22 -1.45 -0.05 0.00 -2.00 0.00 0.00 55.36 52.08 1x4n s GLN 11 Cb -0.13 -3.31 -0.02 0.00 0.80 0.00 0.00 33.01 30.35 1x4n s GLN 11 CO -0.09 -0.76 -0.10 0.54 -0.50 0.00 0.00 175.29 174.38 1x4n n ARG 12 N 4.60 0.16 -3.60 1.67 1.74 -1.26 -5.13 116.66 114.83 1x4n n ARG 12 Ca -0.09 0.06 -0.03 0.00 -0.77 0.00 0.00 57.85 57.02 1x4n n ARG 12 Cb 0.43 -0.75 -0.02 0.00 -1.02 0.00 0.00 32.46 31.10 1x4n n ARG 12 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1x4n s SER 13 N -5.86 -0.15 0.10 0.55 1.04 -1.26 -5.16 113.70 102.95 1x4n s SER 13 Ca -0.09 -0.08 -0.08 0.00 0.48 0.00 0.00 55.95 56.19 1x4n s SER 13 Cb 0.01 0.22 -0.06 0.00 0.10 0.00 0.00 66.02 66.30 1x4n s SER 13 CO 0.13 -0.38 0.38 -0.69 0.98 0.00 0.00 173.24 173.66 1x4n s VAL 14 N -2.61 5.13 0.28 5.02 1.01 -1.26 -4.38 120.40 123.59 1x4n s VAL 14 Ca 0.10 0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.42 1x4n s VAL 14 Cb 0.01 -3.63 -0.06 0.00 0.00 0.00 0.00 36.38 32.70 1x4n s VAL 14 CO -0.04 0.20 -0.01 0.00 0.00 0.00 0.00 175.10 175.26 1x4n s MET 15 N -2.16 1.51 -0.12 2.72 0.23 -0.89 -4.89 119.30 115.69 1x4n s MET 15 Ca 0.35 -1.79 0.01 0.00 -1.03 0.00 0.00 55.69 53.23 1x4n s MET 15 Cb -0.13 -0.89 0.02 0.00 -1.53 0.00 0.00 34.83 32.30 1x4n s MET 15 CO 0.20 -0.07 -0.13 0.99 -2.03 0.00 0.00 175.02 173.97 1x4n s THR 16 N -3.23 1.41 0.27 3.16 2.01 -1.26 -2.90 115.64 115.11 1x4n s THR 16 Ca 0.31 -0.56 0.09 0.00 0.31 0.00 0.00 61.69 61.85 1x4n s THR 16 Cb 0.06 -1.33 -0.05 0.00 0.01 0.00 0.00 72.50 71.19 1x4n s THR 16 CO 0.12 0.43 -0.13 -0.70 -0.69 0.00 0.00 174.62 173.64 1x4n s GLU 17 N 1.32 1.59 -0.37 4.92 2.12 -1.05 -4.99 118.70 122.25 1x4n s GLU 17 Ca 0.00 -1.76 0.03 0.00 0.36 0.00 0.00 54.97 53.60 1x4n s GLU 17 Cb -0.14 -1.46 0.11 0.00 0.26 0.00 0.00 34.13 32.90 1x4n s GLU 17 CO -0.06 0.19 0.10 -2.00 -0.54 0.00 0.00 175.26 172.95 1x4n s GLU 18 N -3.61 1.46 -0.19 4.30 2.12 -1.26 -2.42 118.70 119.10 1x4n s GLU 18 Ca 0.29 -1.91 -0.08 0.00 0.36 0.00 0.00 54.97 53.62 1x4n s GLU 18 Cb -0.00 -3.04 -0.04 0.00 0.26 0.00 0.00 34.13 31.30 1x4n s GLU 18 CO 0.13 -0.98 0.09 -0.47 -0.54 0.00 0.00 175.26 173.48 1x4n s TYR 19 N 0.76 3.30 -0.11 5.30 5.04 -0.67 -4.94 117.35 126.03 1x4n s TYR 19 Ca 0.12 0.14 -0.05 0.00 -2.44 0.00 0.00 57.07 54.84 1x4n s TYR 19 Cb -0.20 -2.12 -0.04 0.00 0.35 0.00 0.00 41.96 39.95 1x4n s TYR 19 CO -0.08 0.17 0.09 0.15 -1.34 0.00 0.00 175.55 174.54 1x4n s LYS 20 N 0.45 3.29 0.16 4.97 1.02 -1.26 -0.57 119.74 127.80 1x4n s LYS 20 Ca 0.05 -0.22 0.05 0.00 0.02 0.00 0.00 55.97 55.86 1x4n s LYS 20 Cb -0.12 -3.06 -0.04 0.00 -0.52 0.00 0.00 37.83 34.09 1x4n s LYS 20 CO -0.00 0.75 -0.10 0.14 -0.92 0.00 0.00 175.35 175.22 1x4n s VAL 21 N -0.97 1.18 -0.19 3.17 -7.23 -0.97 -4.92 120.40 110.48 1x4n s VAL 21 Ca 0.14 -2.07 -0.29 0.00 -1.81 0.00 0.00 61.98 57.96 1x4n s VAL 21 Cb -0.12 -1.90 -0.01 0.00 0.56 0.00 0.00 36.38 34.91 1x4n s VAL 21 CO 0.03 -0.71 1.29 -2.16 -0.31 0.00 0.00 175.10 173.25 1x4n s PRO 22 N -3.75 4.16 0.62 4.82 0.04 -1.26 0.82 135.00 140.45 1x4n s PRO 22 Ca 0.18 1.60 0.29 0.00 0.04 0.00 0.00 61.00 63.11 1x4n s PRO 22 Cb 0.03 -3.80 1.54 0.00 0.04 0.00 0.00 34.50 32.31 1x4n s PRO 22 CO 0.01 -0.80 1.92 0.22 0.04 0.00 0.00 177.00 178.39 1x4n h ASP 23 N 8.51 0.00 0.33 6.66 1.82 -1.88 1.58 116.42 133.44 1x4n h ASP 23 Ca -0.27 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.37 1x4n h ASP 23 Cb 1.11 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.12 1x4n h ASP 23 CO 0.98 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 179.22 1x4n n GLY 24 N -1.38 -1.02 0.00 -0.78 0.00 -1.26 -3.64 105.19 97.12 1x4n n GLY 24 Ca 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.21 0.17 -0.29 1.61 2.81 0.50 -4.77 117.12 115.94 1x4n n MET 25 Ca 0.14 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 56.04 1x4n n MET 25 Cb 0.17 -0.89 0.08 0.00 -0.71 0.00 0.00 33.22 31.87 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 0.15 -1.32 2.03 3.04 -0.53 1.62 116.25 121.23 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 0.79 0.15 -0.07 0.00 -2.01 0.00 0.00 31.29 30.15 1x4n h VAL 26 CO 0.00 0.00 0.93 1.23 -1.01 0.00 0.00 177.57 178.72 1x4n h GLY 27 N -0.02 0.33 0.67 3.17 0.00 -1.82 1.40 103.07 106.79 1x4n h GLY 27 Ca 0.37 -0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.61 1x4n h GLY 27 CO -0.85 -0.07 -1.42 0.33 0.00 0.00 0.00 176.54 174.54 1x4n n PHE 28 N -4.26 0.66 -0.20 5.60 7.35 0.52 -4.09 117.46 123.04 1x4n n PHE 28 Ca 0.30 0.20 -0.08 0.00 -0.76 0.00 0.00 57.45 57.11 1x4n n PHE 28 Cb 1.35 -0.86 0.02 0.00 0.35 0.00 0.00 39.48 40.35 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 0.51 -2.13 2.04 0.51 -3.17 117.51 116.53 1x4n h ILE 29 Ca -0.05 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 64.88 1x4n h ILE 29 Cb 1.16 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 1x4n h ILE 29 CO 0.01 0.33 -0.37 0.40 0.00 0.00 0.00 178.15 178.52 1x4n h ILE 30 N 0.80 0.00 0.00 -0.67 5.03 -1.38 -1.38 117.51 119.91 1x4n h ILE 30 Ca 0.17 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.91 1x4n h ILE 30 Cb 0.36 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.15 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 -1.44 -1.06 3.62 5.37 0.00 -1.20 -0.09 105.19 110.39 1x4n n GLY 31 Ca -0.10 -1.64 -0.56 0.00 0.00 0.00 0.00 46.02 43.72 1x4n n GLY 31 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1x4n n ARG 32 N -1.08 1.08 -3.73 1.61 0.00 -1.26 0.32 116.66 113.60 1x4n n ARG 32 Ca 0.00 0.37 -0.29 0.00 -0.00 0.00 0.00 57.85 57.94 1x4n n ARG 32 Cb 0.00 -2.16 -0.01 0.00 0.00 0.00 0.00 32.46 30.30 1x4n n ARG 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1x4n n GLY 33 N 4.98 -0.47 3.63 5.14 0.00 -1.26 0.01 105.19 117.22 1x4n n GLY 33 Ca 0.32 0.12 -0.24 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.30 -0.49 0.10 -0.02 0.00 0.15 -4.90 105.19 98.73 1x4n n GLY 34 Ca 0.03 0.21 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.40 0.10 -0.95 1.61 4.81 0.31 -2.97 114.58 115.09 1x4n h GLU 35 Ca -0.58 -0.17 0.01 0.00 -0.13 0.00 0.00 59.36 58.50 1x4n h GLU 35 Cb 1.36 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.76 1x4n h GLU 35 CO 0.57 0.76 0.63 0.37 -0.73 0.00 0.00 179.01 180.61 1x4n h GLN 36 N 0.03 1.25 0.00 1.92 5.75 -0.68 -1.98 115.11 121.40 1x4n h GLN 36 Ca -0.32 -0.07 -0.14 0.00 -0.15 0.00 0.00 58.65 57.97 1x4n h GLN 36 Cb 2.02 -0.28 0.01 0.00 1.07 0.00 0.00 27.48 30.30 1x4n h GLN 36 CO 0.09 0.82 -0.54 0.97 -2.65 0.00 0.00 178.83 177.52 1x4n h ILE 37 N 1.28 1.45 -0.86 2.39 6.09 -0.05 -3.24 117.51 124.57 1x4n h ILE 37 Ca 0.35 -2.07 0.22 0.00 -1.37 0.00 0.00 64.86 61.99 1x4n h ILE 37 Cb -0.14 2.65 -0.15 0.00 0.47 0.00 0.00 36.82 39.64 1x4n h ILE 37 CO -0.08 0.60 0.05 -1.28 -3.07 0.00 0.00 178.15 174.36 1x4n h SER 38 N -0.18 -0.35 -0.58 2.19 0.87 -1.30 1.60 113.55 115.80 1x4n h SER 38 Ca -0.07 0.23 0.02 0.00 -1.23 0.00 0.00 61.79 60.74 1x4n h SER 38 Cb 1.27 0.39 -0.03 0.00 -0.44 0.00 0.00 62.40 63.58 1x4n h SER 38 CO 0.11 -0.24 0.38 -0.09 -0.53 0.00 0.00 176.83 176.46 1x4n h ARG 39 N 0.09 0.70 -0.07 2.24 2.43 -1.41 0.54 114.38 118.90 1x4n h ARG 39 Ca 0.50 -0.04 -0.20 0.00 -0.81 0.00 0.00 59.98 59.42 1x4n h ARG 39 Cb 0.96 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1x4n h ARG 39 CO -0.76 0.47 -0.80 0.82 -1.51 0.00 0.00 179.97 178.19 1x4n h ILE 40 N 0.73 1.36 -0.16 1.20 2.04 0.20 0.67 117.51 123.55 1x4n h ILE 40 Ca 0.22 -2.18 -0.14 0.00 1.00 0.00 0.00 64.86 63.76 1x4n h ILE 40 Cb -0.00 2.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 1x4n h ILE 40 CO -0.05 0.66 -0.52 1.56 0.00 0.00 0.00 178.15 179.80 1x4n h GLN 41 N 0.32 0.44 0.16 2.37 4.20 0.14 -2.44 115.11 120.31 1x4n h GLN 41 Ca -0.05 -0.26 -0.32 0.00 0.06 0.00 0.00 58.65 58.08 1x4n h GLN 41 Cb 1.40 0.02 0.01 0.00 0.30 0.00 0.00 27.48 29.21 1x4n h GLN 41 CO 0.14 0.85 -1.54 1.96 -0.67 0.00 0.00 178.83 179.58 1x4n h GLN 42 N 0.34 0.35 0.34 1.46 4.20 0.08 0.33 115.11 122.21 1x4n h GLN 42 Ca 0.01 -0.59 -0.00 0.00 0.06 0.00 0.00 58.65 58.13 1x4n h GLN 42 Cb 1.02 0.22 -0.03 0.00 0.30 0.00 0.00 27.48 29.00 1x4n h GLN 42 CO 0.09 1.24 -0.38 0.93 -0.67 0.00 0.00 178.83 180.05 1x4n h GLU 43 N 0.09 -0.72 0.00 1.46 4.39 0.39 -2.77 114.58 117.42 1x4n h GLU 43 Ca -0.26 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1x4n h GLU 43 Cb 2.06 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.88 1x4n h GLU 43 CO 0.19 -0.48 -0.65 0.66 -1.16 0.00 0.00 179.01 177.57 1x4n h SER 44 N -0.75 0.00 -0.56 1.42 4.64 -1.59 -3.48 113.55 113.24 1x4n h SER 44 Ca -0.02 -0.03 -0.17 0.00 -0.47 0.00 0.00 61.79 61.10 1x4n h SER 44 Cb 0.69 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.72 1x4n h SER 44 CO -0.09 0.01 -0.17 0.61 -0.87 0.00 0.00 176.83 176.33 1x4n n GLY 45 N 1.18 0.81 3.87 -0.77 0.00 0.10 -4.71 105.19 105.67 1x4n n GLY 45 Ca 0.02 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.55 4.06 -0.24 0.00 2.20 -0.39 -4.42 119.74 117.40 1x4n s LYS 47 Ca 0.33 0.60 -0.03 0.00 -0.36 0.00 0.00 55.97 56.51 1x4n s LYS 47 Cb -0.09 -2.94 0.08 0.00 -1.51 0.00 0.00 37.83 33.37 1x4n s LYS 47 CO 0.26 0.47 0.08 0.42 -0.36 0.00 0.00 175.35 176.22 1x4n s ILE 48 N -1.46 0.32 -0.52 5.43 1.01 -1.26 -2.16 121.20 122.57 1x4n s ILE 48 Ca 0.39 -0.69 -0.14 0.00 0.00 0.00 0.00 60.65 60.21 1x4n s ILE 48 Cb -0.16 -1.05 0.12 0.00 0.01 0.00 0.00 42.46 41.39 1x4n s ILE 48 CO 0.20 -0.44 0.45 -1.10 0.00 0.00 0.00 174.94 174.04 1x4n s GLN 49 N 1.93 2.83 -0.21 2.79 -0.21 0.60 -4.94 119.66 122.45 1x4n s GLN 49 Ca 0.04 -1.71 -0.13 0.00 0.02 0.00 0.00 55.36 53.58 1x4n s GLN 49 Cb -0.17 -4.18 -0.05 0.00 1.00 0.00 0.00 33.01 29.62 1x4n s GLN 49 CO -0.19 -1.27 0.26 0.42 -2.12 0.00 0.00 175.29 172.39 1x4n s ILE 50 N 1.53 5.30 0.82 1.08 1.01 -1.26 -1.06 121.20 128.61 1x4n s ILE 50 Ca 0.04 0.42 -0.11 0.00 0.00 0.00 0.00 60.65 61.00 1x4n s ILE 50 Cb -0.29 -3.60 0.09 0.00 0.01 0.00 0.00 42.46 38.67 1x4n s ILE 50 CO 0.02 0.32 1.12 0.00 0.00 0.00 0.00 174.94 176.40 1x4n s ALA 51 N 1.03 1.97 0.00 9.38 0.00 -1.23 -5.02 121.76 127.89 1x4n s ALA 51 Ca 0.13 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.53 1x4n s ALA 51 Cb -0.14 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1x4n s ALA 51 CO 0.05 -2.12 0.11 -0.35 0.00 0.00 0.00 175.76 173.45 1x4n n PRO 52 N -3.68 0.00 -2.84 0.00 -0.04 -1.26 -4.77 135.00 122.40 1x4n n PRO 52 Ca 0.10 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.15 1x4n n PRO 52 Cb 0.52 -0.57 -0.04 0.00 -0.04 0.00 0.00 33.50 33.38 1x4n n PRO 52 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1x4n s ASP 53 N -1.25 6.92 0.43 3.54 1.47 -1.26 -4.91 116.67 121.62 1x4n s ASP 53 Ca 0.00 1.15 0.22 0.00 1.18 0.00 0.00 52.55 55.10 1x4n s ASP 53 Cb 0.00 -2.46 0.96 0.00 -0.34 0.00 0.00 42.92 41.07 1x4n s ASP 53 CO 0.00 -0.51 1.86 0.77 0.68 0.00 0.00 175.17 177.96 1x4n h SER 54 N 7.54 0.00 0.00 2.11 4.64 -1.95 -3.47 113.55 122.43 1x4n h SER 54 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1x4n h SER 54 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1x4n h SER 54 CO 0.88 0.26 0.00 0.61 -0.87 0.00 0.00 176.83 177.72 1x4n n GLY 55 N -0.09 0.62 1.64 -0.77 0.00 -1.26 -3.63 105.19 101.69 1x4n n GLY 55 Ca -0.01 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.51 0.49 3.83 -0.02 0.00 -1.26 -5.04 105.19 100.68 1x4n n GLY 56 Ca 0.00 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 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 3.47 0.24 0.99 2.01 -1.24 -4.97 118.68 119.18 1x4n s LEU 57 Ca 0.00 1.65 0.10 0.00 0.01 0.00 0.00 54.13 55.90 1x4n s LEU 57 Cb 0.00 -4.51 0.20 0.00 0.01 0.00 0.00 46.19 41.89 1x4n s LEU 57 CO 0.00 -0.95 1.51 1.55 1.01 0.00 0.00 176.35 179.48 1x4n h PRO 58 N 0.39 0.00 -5.10 1.29 0.13 -1.94 -3.45 132.00 123.32 1x4n h PRO 58 Ca -0.46 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.20 1x4n h PRO 58 Cb 1.20 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.04 1x4n h PRO 58 CO 0.59 0.71 -0.81 -1.21 -0.23 0.00 0.00 178.00 177.06 1x4n s GLU 59 N -3.31 1.10 -0.34 0.86 2.02 -1.26 -3.27 118.70 114.51 1x4n s GLU 59 Ca -0.00 -0.46 -0.25 0.00 0.02 0.00 0.00 54.97 54.29 1x4n s GLU 59 Cb 0.11 -1.05 0.01 0.00 0.10 0.00 0.00 34.13 33.30 1x4n s GLU 59 CO 0.77 0.25 0.85 0.50 0.02 0.00 0.00 175.26 177.66 1x4n s ARG 60 N -0.21 3.90 0.21 1.61 6.06 0.24 -4.75 118.95 126.01 1x4n s ARG 60 Ca 0.03 0.58 -0.30 0.00 -2.50 0.00 0.00 55.73 53.54 1x4n s ARG 60 Cb -0.06 -3.77 -0.09 0.00 0.06 0.00 0.00 34.95 31.09 1x4n s ARG 60 CO -0.00 -0.81 1.38 0.45 -2.50 0.00 0.00 175.30 173.82 1x4n s SER 61 N 1.73 6.78 -0.09 -2.12 0.15 -1.26 -2.29 113.70 116.60 1x4n s SER 61 Ca 0.35 2.51 -0.01 0.00 0.70 0.00 0.00 55.95 59.50 1x4n s SER 61 Cb -0.13 -2.61 0.03 0.00 -1.71 0.00 0.00 66.02 61.59 1x4n s SER 61 CO 0.15 -0.62 -0.04 0.00 1.20 0.00 0.00 173.24 173.93 1x4n s MET 63 N 1.73 4.02 0.03 0.00 -1.94 -0.22 -1.67 119.30 121.25 1x4n s MET 63 Ca 0.03 0.31 -0.04 0.00 -1.71 0.00 0.00 55.69 54.28 1x4n s MET 63 Cb -0.13 -3.67 -0.04 0.00 2.01 0.00 0.00 34.83 33.00 1x4n s MET 63 CO -0.06 -0.40 0.24 -0.51 -0.01 0.00 0.00 175.02 174.28 1x4n s LEU 64 N 2.37 4.36 -0.09 -0.03 1.02 -1.01 -0.29 118.68 125.01 1x4n s LEU 64 Ca 0.22 0.44 -0.04 0.00 0.02 0.00 0.00 54.13 54.78 1x4n s LEU 64 Cb -0.16 -2.78 0.05 0.00 0.02 0.00 0.00 46.19 43.33 1x4n s LEU 64 CO 0.10 0.22 0.18 -0.89 0.02 0.00 0.00 176.35 175.98 1x4n s THR 65 N -1.39 -0.21 -5.00 5.49 2.01 -0.92 -2.51 115.64 113.12 1x4n s THR 65 Ca 0.30 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.57 1x4n s THR 65 Cb -0.13 -0.32 0.00 0.00 0.01 0.00 0.00 72.50 72.07 1x4n s THR 65 CO 0.20 0.11 0.00 0.61 -0.69 0.00 0.00 174.62 174.85 1x4n n GLY 66 N 4.90 0.10 3.56 4.40 0.00 -1.14 -1.27 105.19 115.75 1x4n n GLY 66 Ca -0.13 -1.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.00 2.61 -2.24 -1.26 -2.10 114.28 120.29 1x4n n THR 67 Ca 0.00 -0.15 -0.18 0.00 -2.27 0.00 0.00 64.05 61.46 1x4n n THR 67 Cb 0.00 -0.92 -0.10 0.00 -2.10 0.00 0.00 70.33 67.21 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 -2.04 0.52 0.00 -0.78 0.13 -1.96 -1.74 132.00 126.13 1x4n h PRO 68 Ca -0.48 -0.51 0.00 0.00 -0.87 0.00 0.00 66.00 64.14 1x4n h PRO 68 Cb 1.29 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.55 1x4n h PRO 68 CO 0.42 1.14 0.00 0.39 -0.23 0.00 0.00 178.00 179.72 1x4n n GLU 69 N -4.14 0.16 -0.03 0.86 -0.58 -1.26 -1.73 120.64 113.92 1x4n n GLU 69 Ca -0.10 0.48 -0.21 0.00 -0.42 0.00 0.00 57.16 56.91 1x4n n GLU 69 Cb 0.70 -1.86 -0.13 0.00 -0.57 0.00 0.00 31.44 29.57 1x4n n GLU 69 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1x4n n SER 70 N -2.17 2.06 -0.19 1.62 7.64 -1.15 -2.92 113.62 118.52 1x4n n SER 70 Ca 0.01 0.21 -0.00 0.00 1.01 0.00 0.00 58.87 60.09 1x4n n SER 70 Cb 0.15 -0.83 0.24 0.00 -1.01 0.00 0.00 64.21 62.76 1x4n n SER 70 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1x4n h VAL 71 N -0.16 1.20 -0.02 0.44 2.07 -0.83 0.28 116.25 119.23 1x4n h VAL 71 Ca -0.44 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 1x4n h VAL 71 Cb 1.88 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1x4n h VAL 71 CO -0.00 0.22 -0.04 1.56 0.02 0.00 0.00 177.57 179.32 1x4n h GLN 72 N 0.95 0.06 -0.20 1.57 4.20 -1.49 -1.05 115.11 119.15 1x4n h GLN 72 Ca 0.24 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.94 1x4n h GLN 72 Cb -0.00 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1x4n h GLN 72 CO -0.04 0.62 0.01 0.77 -0.67 0.00 0.00 178.83 179.52 1x4n h SER 73 N -0.48 -0.05 -0.03 1.46 0.02 -1.35 -0.77 113.55 112.35 1x4n h SER 73 Ca 0.00 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1x4n h SER 73 Cb 0.61 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 1x4n h SER 73 CO 0.01 0.00 -0.06 0.00 -1.14 0.00 0.00 176.83 175.64 1x4n h ALA 74 N 1.16 -0.04 -0.56 3.77 0.00 -0.49 -2.10 119.26 121.00 1x4n h ALA 74 Ca 0.09 0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.13 1x4n h ALA 74 Cb 0.11 0.12 -0.11 0.00 0.00 0.00 0.00 17.79 17.91 1x4n h ALA 74 CO -0.14 -0.55 -0.23 0.87 0.00 0.00 0.00 179.25 179.20 1x4n h LYS 75 N -0.10 -0.09 -0.80 0.00 1.57 -0.71 0.42 116.57 116.87 1x4n h LYS 75 Ca 0.04 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 58.98 1x4n h LYS 75 Cb 0.15 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.38 1x4n h LYS 75 CO -0.09 -0.06 0.34 0.00 -0.57 0.00 0.00 179.45 179.07 1x4n h ARG 76 N -0.09 0.46 -0.43 3.15 2.47 -0.59 0.74 114.38 120.08 1x4n h ARG 76 Ca 0.26 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.91 1x4n h ARG 76 Cb 0.49 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.69 1x4n h ARG 76 CO -0.62 0.30 0.13 -0.07 0.56 0.00 0.00 179.97 180.27 1x4n h LEU 77 N 0.47 0.63 0.78 3.04 3.38 0.28 0.11 115.31 124.00 1x4n h LEU 77 Ca 0.45 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 1x4n h LEU 77 Cb 0.70 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.29 1x4n h LEU 77 CO -0.42 0.67 -0.37 -0.07 0.09 0.00 0.00 178.44 178.34 1x4n h LEU 78 N 0.55 -0.89 -0.48 1.67 3.38 0.20 -2.49 115.31 117.25 1x4n h LEU 78 Ca 0.14 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.23 1x4n h LEU 78 Cb 0.27 0.23 -0.10 0.00 0.09 0.00 0.00 40.66 41.15 1x4n h LEU 78 CO -0.00 -0.61 -0.36 -0.78 0.09 0.00 0.00 178.44 176.78 1x4n h ASP 79 N -1.10 -1.21 -0.76 -0.43 3.58 0.37 -1.37 116.42 115.49 1x4n h ASP 79 Ca -0.11 0.21 0.07 0.00 0.42 0.00 0.00 57.03 57.62 1x4n h ASP 79 Cb 0.80 0.57 -0.09 0.00 1.72 0.00 0.00 39.33 42.33 1x4n h ASP 79 CO 0.18 -0.33 -0.45 0.00 -2.88 0.00 0.00 179.24 175.76 1x4n n GLN 80 N -5.42 -0.33 -0.38 0.28 3.00 0.38 0.16 117.38 115.07 1x4n n GLN 80 Ca 0.02 1.32 -0.06 0.00 -0.01 0.00 0.00 57.00 58.27 1x4n n GLN 80 Cb 0.35 -1.94 -0.02 0.00 0.00 0.00 0.00 30.24 28.62 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 0.01 0.12 5.09 2.04 -0.79 1.53 117.51 125.51 1x4n h ILE 81 Ca 0.12 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.00 1x4n h ILE 81 Cb 0.31 0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 36.35 1x4n h ILE 81 CO -0.71 0.00 -0.42 0.58 0.00 0.00 0.00 178.15 177.60 1x4n h VAL 82 N -0.02 0.16 -0.26 1.67 2.07 -0.01 0.18 116.25 120.04 1x4n h VAL 82 Ca 0.25 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.84 1x4n h VAL 82 Cb 0.52 0.16 -0.07 0.00 -1.52 0.00 0.00 31.29 30.38 1x4n h VAL 82 CO -0.94 0.00 -0.22 -0.08 0.02 0.00 0.00 177.57 176.35 1x4n h GLU 83 N -0.65 -0.21 -0.18 1.57 4.81 0.27 0.64 114.58 120.83 1x4n h GLU 83 Ca 0.02 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.32 1x4n h GLU 83 Cb 0.68 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1x4n h GLU 83 CO -0.24 -0.14 0.26 -0.22 -0.73 0.00 0.00 179.01 177.94 1x4n h LYS 84 N -0.22 0.00 -1.72 1.92 3.64 0.26 -1.63 116.57 118.82 1x4n h LYS 84 Ca 0.14 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.98 1x4n h LYS 84 Cb 0.44 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 31.84 1x4n h LYS 84 CO -0.39 0.00 -0.82 0.41 -2.27 0.00 0.00 179.45 176.38 1x4n n GLY 85 N -1.36 4.96 3.17 5.01 0.00 0.20 -4.96 105.19 112.21 1x4n n GLY 85 Ca 0.02 -2.44 -0.40 0.00 0.00 0.00 0.00 46.02 43.20 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 -0.27 3.09 0.09 1.61 5.12 0.26 -4.62 116.66 121.94 1x4n n ARG 86 Ca 0.31 -4.48 0.00 0.00 -1.93 0.00 0.00 57.85 51.74 1x4n n ARG 86 Cb 0.60 -2.47 0.00 0.00 -1.16 0.00 0.00 32.46 29.44 1x4n n ARG 86 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1x4n n SER 87 N 2.33 -1.13 0.00 0.55 2.88 -1.26 -5.06 113.62 111.93 1x4n n SER 87 Ca 0.23 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 58.12 1x4n n SER 87 Cb 0.38 1.24 0.00 0.00 -0.75 0.00 0.00 64.21 65.07 1x4n n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4n n GLY 88 N -0.05 -0.69 3.55 0.46 0.00 -1.26 -5.07 105.19 102.13 1x4n n GLY 88 Ca 0.00 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.69 2.98 0.36 1.61 0.04 -1.26 -4.96 135.00 133.08 1x4n s PRO 89 Ca 0.00 -0.19 0.09 0.00 0.04 0.00 0.00 61.00 60.93 1x4n s PRO 89 Cb 0.00 -4.67 -0.06 0.00 0.04 0.00 0.00 34.50 29.82 1x4n s PRO 89 CO 0.00 -2.58 0.03 0.45 0.04 0.00 0.00 177.00 174.94 1x4n s SER 90 N 6.13 4.16 -0.03 6.66 0.15 -1.26 -5.14 113.70 124.36 1x4n s SER 90 Ca 0.54 -1.05 0.03 0.00 0.70 0.00 0.00 55.95 56.17 1x4n s SER 90 Cb -0.07 -0.50 0.00 0.00 -1.71 0.00 0.00 66.02 63.73 1x4n s SER 90 CO 0.08 -0.29 -0.10 -0.55 1.20 0.00 0.00 173.24 173.58 1x4n s SER 91 N -3.73 1.32 0.00 5.45 0.15 -1.26 -5.20 113.70 110.43 1x4n s SER 91 Ca 0.35 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.80 1x4n s SER 91 Cb 0.01 -0.35 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 1x4n s SER 91 CO 0.19 0.08 0.23 0.61 1.20 0.00 0.00 173.24 175.55