#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 2.73 -0.02 1.61 0.15 -1.26 -5.12 113.70 111.79 1x4n s SER 2 Ca 0.00 -0.71 0.02 0.00 0.70 0.00 0.00 55.95 55.96 1x4n s SER 2 Cb 0.00 -0.60 -0.00 0.00 -1.71 0.00 0.00 66.02 63.71 1x4n s SER 2 CO 0.00 -0.28 -0.08 -0.44 1.20 0.00 0.00 173.24 173.63 1x4n s SER 3 N 1.86 1.07 0.00 5.45 0.01 -1.26 -5.12 113.70 115.70 1x4n s SER 3 Ca -0.00 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.10 1x4n s SER 3 Cb -0.16 -0.22 0.00 0.00 0.21 0.00 0.00 66.02 65.85 1x4n s SER 3 CO -0.08 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.26 1x4n n GLY 4 N 3.12 3.74 3.70 3.44 0.00 -1.26 -5.19 105.19 112.74 1x4n n GLY 4 Ca -0.16 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1x4n n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4n s SER 5 N 0.00 -0.07 -0.25 1.61 0.15 -1.26 -5.19 113.70 108.69 1x4n s SER 5 Ca 0.00 -0.23 -0.30 0.00 0.70 0.00 0.00 55.95 56.12 1x4n s SER 5 Cb 0.00 0.25 0.17 0.00 -1.71 0.00 0.00 66.02 64.73 1x4n s SER 5 CO 0.00 -0.47 1.26 -0.55 1.20 0.00 0.00 173.24 174.68 1x4n s SER 6 N -3.08 -0.13 0.00 5.45 0.15 -1.26 -5.14 113.70 109.69 1x4n s SER 6 Ca 0.16 0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.94 1x4n s SER 6 Cb 0.03 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 1x4n s SER 6 CO -0.02 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.91 1x4n n GLY 7 N 0.55 2.47 3.10 9.45 0.00 -1.26 -5.17 105.19 114.33 1x4n n GLY 7 Ca -0.03 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.48 1x4n n GLY 7 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1x4n s HIS 8 N 0.00 0.86 0.00 1.61 0.09 -1.26 -5.08 115.29 111.51 1x4n s HIS 8 Ca 0.00 -0.51 0.00 0.00 -0.00 0.00 0.00 55.06 54.55 1x4n s HIS 8 Cb 0.00 -0.50 0.00 0.00 -0.00 0.00 0.00 32.58 32.08 1x4n s HIS 8 CO 0.00 -0.04 0.00 1.04 -0.00 0.00 0.00 174.74 175.74 1x4n n GLN 9 N 1.32 0.00 -0.63 1.40 3.00 -1.26 -5.16 117.38 116.05 1x4n n GLN 9 Ca -0.22 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 56.85 1x4n n GLN 9 Cb 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.75 1x4n n GLN 9 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1x4n n GLN 10 N -2.11 -1.45 -2.69 -1.09 7.27 -1.26 -5.01 117.38 111.05 1x4n n GLN 10 Ca 0.00 1.16 -0.03 0.00 0.07 0.00 0.00 57.00 58.20 1x4n n GLN 10 Cb 0.00 -1.70 -0.03 0.00 2.41 0.00 0.00 30.24 30.92 1x4n n GLN 10 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1x4n n GLN 11 N -3.10 -3.51 -3.56 3.69 6.02 -1.26 -5.04 117.38 110.62 1x4n n GLN 11 Ca -0.04 2.70 -0.04 0.00 -0.01 0.00 0.00 57.00 59.61 1x4n n GLN 11 Cb 0.30 -3.59 -0.06 0.00 1.02 0.00 0.00 30.24 27.91 1x4n n GLN 11 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1x4n s ARG 12 N -0.43 0.46 1.07 -1.09 1.81 -1.26 -5.16 118.95 114.34 1x4n s ARG 12 Ca -0.17 1.15 -0.14 0.00 -1.72 0.00 0.00 55.73 54.86 1x4n s ARG 12 Cb 0.01 0.49 0.22 0.00 -0.45 0.00 0.00 34.95 35.23 1x4n s ARG 12 CO 0.45 -0.32 1.08 -1.12 -0.68 0.00 0.00 175.30 174.71 1x4n s SER 13 N 2.75 2.01 0.07 0.23 0.01 -1.26 -5.01 113.70 112.50 1x4n s SER 13 Ca 0.01 1.13 0.09 0.00 1.31 0.00 0.00 55.95 58.50 1x4n s SER 13 Cb -0.13 -1.76 -0.03 0.00 0.21 0.00 0.00 66.02 64.31 1x4n s SER 13 CO -0.17 -3.51 -0.25 -0.69 0.41 0.00 0.00 173.24 169.04 1x4n s VAL 14 N -2.89 2.06 0.24 3.43 1.01 -1.26 -4.55 120.40 118.44 1x4n s VAL 14 Ca 0.67 -1.45 0.07 0.00 0.00 0.00 0.00 61.98 61.27 1x4n s VAL 14 Cb -0.18 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.36 1x4n s VAL 14 CO 0.59 0.25 -0.11 0.00 0.00 0.00 0.00 175.10 175.83 1x4n s MET 15 N -1.46 1.44 -0.08 2.72 0.23 -1.08 -4.94 119.30 116.13 1x4n s MET 15 Ca 0.11 -1.68 0.04 0.00 -1.03 0.00 0.00 55.69 53.14 1x4n s MET 15 Cb -0.10 -1.15 -0.01 0.00 -1.53 0.00 0.00 34.83 32.05 1x4n s MET 15 CO 0.03 0.12 -0.23 0.99 -2.03 0.00 0.00 175.02 173.91 1x4n s THR 16 N -2.98 2.20 0.05 3.16 2.01 -1.26 -3.15 115.64 115.66 1x4n s THR 16 Ca 0.26 -0.99 0.05 0.00 0.31 0.00 0.00 61.69 61.32 1x4n s THR 16 Cb 0.01 -1.83 -0.02 0.00 0.01 0.00 0.00 72.50 70.67 1x4n s THR 16 CO 0.09 0.56 -0.15 -0.70 -0.69 0.00 0.00 174.62 173.74 1x4n s GLU 17 N 0.09 0.95 -0.50 4.92 2.56 -1.19 -5.00 118.70 120.53 1x4n s GLU 17 Ca -0.11 -0.81 -0.10 0.00 0.00 0.00 0.00 54.97 53.95 1x4n s GLU 17 Cb -0.16 -0.98 0.13 0.00 2.00 0.00 0.00 34.13 35.12 1x4n s GLU 17 CO 0.06 0.24 0.39 -2.00 -0.56 0.00 0.00 175.26 173.39 1x4n s GLU 18 N -1.26 2.59 -0.26 4.30 2.12 -1.26 -2.10 118.70 122.84 1x4n s GLU 18 Ca 0.02 -1.83 -0.09 0.00 0.36 0.00 0.00 54.97 53.43 1x4n s GLU 18 Cb -0.08 -3.99 -0.04 0.00 0.26 0.00 0.00 34.13 30.29 1x4n s GLU 18 CO 0.02 -1.22 0.11 -0.47 -0.54 0.00 0.00 175.26 173.16 1x4n s TYR 19 N 1.26 3.13 -0.15 5.30 5.04 -1.06 -4.94 117.35 125.93 1x4n s TYR 19 Ca 0.07 -0.25 -0.15 0.00 -2.44 0.00 0.00 57.07 54.29 1x4n s TYR 19 Cb -0.26 -2.29 -0.04 0.00 0.35 0.00 0.00 41.96 39.72 1x4n s TYR 19 CO -0.01 -0.30 0.35 0.15 -1.34 0.00 0.00 175.55 174.41 1x4n s LYS 20 N 1.66 4.28 0.30 4.97 1.02 -1.26 -1.04 119.74 129.67 1x4n s LYS 20 Ca 0.07 0.21 0.09 0.00 0.02 0.00 0.00 55.97 56.36 1x4n s LYS 20 Cb -0.15 -3.43 -0.06 0.00 -0.52 0.00 0.00 37.83 33.67 1x4n s LYS 20 CO 0.06 0.21 -0.12 0.14 -0.92 0.00 0.00 175.35 174.72 1x4n s VAL 21 N 0.52 2.08 -0.36 3.17 -7.23 -0.76 -4.91 120.40 112.92 1x4n s VAL 21 Ca 0.19 -2.24 -0.29 0.00 -1.81 0.00 0.00 61.98 57.84 1x4n s VAL 21 Cb -0.14 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.37 1x4n s VAL 21 CO 0.06 -0.32 1.38 -2.16 -0.31 0.00 0.00 175.10 173.75 1x4n s PRO 22 N -3.62 3.72 0.48 4.82 0.04 -1.26 -0.33 135.00 138.85 1x4n s PRO 22 Ca 0.30 1.10 0.26 0.00 0.04 0.00 0.00 61.00 62.70 1x4n s PRO 22 Cb 0.01 -3.97 1.31 0.00 0.04 0.00 0.00 34.50 31.88 1x4n s PRO 22 CO 0.14 -1.37 1.86 0.22 0.04 0.00 0.00 177.00 177.88 1x4n h ASP 23 N 10.15 0.19 0.25 6.66 3.58 -1.86 1.61 116.42 137.00 1x4n h ASP 23 Ca -0.27 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.20 1x4n h ASP 23 Cb 1.10 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.15 1x4n h ASP 23 CO 1.06 0.06 0.00 0.61 -2.88 0.00 0.00 179.24 178.09 1x4n n GLY 24 N -1.62 -0.77 0.00 -0.78 0.00 -1.26 -2.94 105.19 97.82 1x4n n GLY 24 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.60 0.53 -0.29 1.61 2.81 0.50 -4.73 117.12 115.95 1x4n n MET 25 Ca 0.01 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 55.94 1x4n n MET 25 Cb 0.08 -1.00 0.11 0.00 -0.71 0.00 0.00 33.22 31.71 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 0.17 -1.11 2.03 3.04 0.21 1.70 116.25 122.28 1x4n h VAL 26 Ca 0.00 -0.00 0.31 0.00 -1.01 0.00 0.00 66.70 66.00 1x4n h VAL 26 Cb 1.00 0.16 -0.07 0.00 -2.01 0.00 0.00 31.29 30.37 1x4n h VAL 26 CO 0.00 0.00 0.76 1.23 -1.01 0.00 0.00 177.57 178.55 1x4n h GLY 27 N 0.00 0.55 0.87 3.17 0.00 -1.79 0.88 103.07 106.75 1x4n h GLY 27 Ca 0.41 -0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.60 1x4n h GLY 27 CO -0.86 -0.07 -1.23 0.33 0.00 0.00 0.00 176.54 174.72 1x4n n PHE 28 N -4.39 0.86 0.14 5.60 7.35 0.54 -3.88 117.46 123.68 1x4n n PHE 28 Ca 0.25 0.26 0.01 0.00 -0.76 0.00 0.00 57.45 57.21 1x4n n PHE 28 Cb 1.08 -0.95 0.32 0.00 0.35 0.00 0.00 39.48 40.28 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 0.85 -2.13 2.04 0.46 -3.10 117.51 116.90 1x4n h ILE 29 Ca -0.05 -1.25 -0.04 0.00 1.00 0.00 0.00 64.86 64.52 1x4n h ILE 29 Cb 1.16 1.59 0.01 0.00 -0.74 0.00 0.00 36.82 38.84 1x4n h ILE 29 CO 0.01 0.37 -0.41 0.40 0.00 0.00 0.00 178.15 178.52 1x4n h ILE 30 N 0.11 0.06 0.00 -0.67 2.04 -1.33 -2.30 117.51 115.42 1x4n h ILE 30 Ca 0.01 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1x4n h ILE 30 Cb 0.65 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1x4n h ILE 30 CO 0.05 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.81 1x4n n GLY 31 N -1.25 -3.07 3.55 5.37 0.00 -1.17 -0.09 105.19 108.53 1x4n n GLY 31 Ca -0.15 -1.98 -0.34 0.00 0.00 0.00 0.00 46.02 43.55 1x4n n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x4n s ARG 32 N -0.58 2.73 0.00 1.61 1.81 -1.26 -2.15 118.95 121.11 1x4n s ARG 32 Ca 0.00 0.04 0.00 0.00 -1.72 0.00 0.00 55.73 54.05 1x4n s ARG 32 Cb 0.00 -4.71 0.00 0.00 -0.45 0.00 0.00 34.95 29.79 1x4n s ARG 32 CO 0.00 -2.89 0.00 0.41 -0.68 0.00 0.00 175.30 172.14 1x4n n GLY 33 N 6.22 0.56 2.08 -3.53 0.00 -1.26 -3.74 105.19 105.51 1x4n n GLY 33 Ca 0.27 -0.54 -0.07 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.76 0.54 0.08 -0.02 0.00 -0.91 -4.95 105.19 97.17 1x4n n GLY 34 Ca 0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.73 0.64 0.11 1.61 0.28 -0.76 -3.00 120.64 117.78 1x4n n GLU 35 Ca 0.00 0.15 0.01 0.00 -0.16 0.00 0.00 57.16 57.15 1x4n n GLU 35 Cb 0.52 -1.72 0.32 0.00 1.43 0.00 0.00 31.44 31.99 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 0.24 0.11 3.44 5.75 -0.69 -2.67 115.11 121.28 1x4n h GLN 36 Ca -0.25 -0.08 -0.22 0.00 -0.15 0.00 0.00 58.65 57.95 1x4n h GLN 36 Cb 1.75 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 30.28 1x4n h GLN 36 CO 0.04 0.48 -1.07 0.97 -2.65 0.00 0.00 178.83 176.60 1x4n h ILE 37 N 0.21 1.26 -0.83 2.39 6.09 -0.74 -3.31 117.51 122.58 1x4n h ILE 37 Ca 0.03 -2.43 0.17 0.00 -1.37 0.00 0.00 64.86 61.26 1x4n h ILE 37 Cb 0.56 2.91 -0.16 0.00 0.47 0.00 0.00 36.82 40.60 1x4n h ILE 37 CO 0.04 0.67 -0.21 -1.28 -3.07 0.00 0.00 178.15 174.30 1x4n h SER 38 N -0.44 -0.79 -0.67 2.19 0.87 -1.43 1.60 113.55 114.88 1x4n h SER 38 Ca -0.23 0.25 0.08 0.00 -1.23 0.00 0.00 61.79 60.67 1x4n h SER 38 Cb 1.62 0.52 -0.04 0.00 -0.44 0.00 0.00 62.40 64.06 1x4n h SER 38 CO 0.07 -0.28 0.45 -0.09 -0.53 0.00 0.00 176.83 176.45 1x4n h ARG 39 N -0.00 0.59 -0.17 2.24 2.43 -1.61 0.73 114.38 118.59 1x4n h ARG 39 Ca 0.40 -0.04 -0.21 0.00 -0.81 0.00 0.00 59.98 59.32 1x4n h ARG 39 Cb 0.61 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1x4n h ARG 39 CO -0.86 0.39 -0.72 0.82 -1.51 0.00 0.00 179.97 178.09 1x4n h ILE 40 N 0.60 1.29 -0.10 1.20 2.04 0.19 0.82 117.51 123.56 1x4n h ILE 40 Ca 0.30 -1.95 -0.12 0.00 1.00 0.00 0.00 64.86 64.09 1x4n h ILE 40 Cb 0.40 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 1x4n h ILE 40 CO -0.10 0.62 -0.49 1.56 0.00 0.00 0.00 178.15 179.73 1x4n h GLN 41 N 0.52 0.25 0.07 2.37 4.20 0.18 -2.14 115.11 120.56 1x4n h GLN 41 Ca -0.04 -0.14 -0.29 0.00 0.06 0.00 0.00 58.65 58.25 1x4n h GLN 41 Cb 1.34 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.11 1x4n h GLN 41 CO 0.15 0.69 -1.47 1.96 -0.67 0.00 0.00 178.83 179.49 1x4n h GLN 42 N 0.20 0.16 0.44 1.46 1.08 0.47 0.30 115.11 119.22 1x4n h GLN 42 Ca 0.01 -0.27 -0.02 0.00 -1.45 0.00 0.00 58.65 56.92 1x4n h GLN 42 Cb 0.95 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 1x4n h GLN 42 CO 0.08 0.98 -0.21 0.93 -0.95 0.00 0.00 178.83 179.66 1x4n h GLU 43 N 0.04 -0.57 0.00 1.46 5.08 0.77 -3.03 114.58 118.32 1x4n h GLU 43 Ca -0.21 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1x4n h GLU 43 Cb 1.97 0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.35 1x4n h GLU 43 CO 0.14 -0.36 -0.77 0.66 -1.00 0.00 0.00 179.01 177.68 1x4n h SER 44 N -0.63 0.00 -0.50 1.42 4.64 -1.54 -3.48 113.55 113.46 1x4n h SER 44 Ca -0.06 -0.16 -0.19 0.00 -0.47 0.00 0.00 61.79 60.91 1x4n h SER 44 Cb 0.48 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.49 1x4n h SER 44 CO 0.10 0.08 -0.18 0.61 -0.87 0.00 0.00 176.83 176.57 1x4n n GLY 45 N 1.29 1.03 3.79 -0.77 0.00 0.96 -4.72 105.19 106.76 1x4n n GLY 45 Ca 0.02 -0.60 -0.25 0.00 0.00 0.00 0.00 46.02 45.19 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 -3.27 4.02 -0.24 0.00 2.20 -0.48 -4.30 119.74 117.67 1x4n s LYS 47 Ca 0.31 0.56 -0.03 0.00 -0.36 0.00 0.00 55.97 56.45 1x4n s LYS 47 Cb -0.09 -2.88 0.08 0.00 -1.51 0.00 0.00 37.83 33.42 1x4n s LYS 47 CO 0.23 0.44 0.08 0.42 -0.36 0.00 0.00 175.35 176.16 1x4n s ILE 48 N -1.52 0.43 -0.51 5.43 1.01 -1.26 -2.38 121.20 122.40 1x4n s ILE 48 Ca 0.40 -0.79 -0.14 0.00 0.00 0.00 0.00 60.65 60.12 1x4n s ILE 48 Cb -0.15 -1.15 0.12 0.00 0.01 0.00 0.00 42.46 41.29 1x4n s ILE 48 CO 0.20 -0.46 0.44 -1.10 0.00 0.00 0.00 174.94 174.02 1x4n s GLN 49 N 1.87 2.88 -0.24 2.79 -0.21 -0.52 -4.98 119.66 121.24 1x4n s GLN 49 Ca 0.04 -1.64 -0.11 0.00 0.02 0.00 0.00 55.36 53.68 1x4n s GLN 49 Cb -0.17 -4.18 -0.05 0.00 1.00 0.00 0.00 33.01 29.61 1x4n s GLN 49 CO -0.19 -1.23 0.17 0.42 -2.12 0.00 0.00 175.29 172.34 1x4n s ILE 50 N 1.56 5.35 0.64 1.08 1.01 -1.26 -1.70 121.20 127.87 1x4n s ILE 50 Ca 0.04 0.19 -0.17 0.00 0.00 0.00 0.00 60.65 60.71 1x4n s ILE 50 Cb -0.28 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 38.67 1x4n s ILE 50 CO 0.03 0.33 1.17 0.00 0.00 0.00 0.00 174.94 176.47 1x4n s ALA 51 N 1.17 2.42 -0.04 9.38 0.00 -1.25 -4.99 121.76 128.45 1x4n s ALA 51 Ca 0.08 0.83 -0.07 0.00 0.00 0.00 0.00 51.96 52.80 1x4n s ALA 51 Cb -0.14 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 1x4n s ALA 51 CO 0.06 -1.35 0.35 -1.00 0.00 0.00 0.00 175.76 173.82 1x4n h PRO 52 N 0.37 -0.24 -5.46 0.00 0.13 -1.97 -3.42 132.00 121.41 1x4n h PRO 52 Ca -0.49 0.02 -0.65 0.00 -0.87 0.00 0.00 66.00 64.01 1x4n h PRO 52 Cb 1.28 0.05 -0.15 0.00 0.13 0.00 0.00 31.00 32.31 1x4n h PRO 52 CO 0.53 -0.16 0.19 0.34 -0.23 0.00 0.00 178.00 178.68 1x4n s ASP 53 N -4.51 6.33 -0.02 1.44 2.15 -1.26 -4.88 116.67 115.91 1x4n s ASP 53 Ca -0.04 -0.37 0.08 0.00 0.43 0.00 0.00 52.55 52.65 1x4n s ASP 53 Cb 0.00 -2.34 0.26 0.00 -0.30 0.00 0.00 42.92 40.55 1x4n s ASP 53 CO 0.11 -0.86 1.15 -1.54 -0.17 0.00 0.00 175.17 173.86 1x4n n SER 54 N 6.44 1.82 -0.07 -0.34 3.41 -1.26 -4.85 113.62 118.77 1x4n n SER 54 Ca -0.01 -2.09 -0.01 0.00 -0.26 0.00 0.00 58.87 56.50 1x4n n SER 54 Cb 0.48 -0.28 -0.00 0.00 -0.26 0.00 0.00 64.21 64.14 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 0.77 0.20 2.48 5.00 0.00 -1.26 -1.12 105.19 111.26 1x4n n GLY 55 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.04 1.56 3.10 -0.02 0.00 -1.26 -5.01 105.19 103.61 1x4n n GLY 56 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.53 0.15 0.99 4.32 -0.28 -4.85 117.00 113.80 1x4n n LEU 57 Ca 0.00 0.08 0.02 0.00 -0.02 0.00 0.00 56.01 56.09 1x4n n LEU 57 Cb 0.00 -0.76 0.18 0.00 -1.62 0.00 0.00 43.42 41.22 1x4n n LEU 57 CO 0.00 -3.93 0.53 1.55 -1.22 0.00 0.00 177.39 174.32 1x4n h PRO 58 N -1.25 0.00 -3.62 3.23 0.13 -1.95 -3.44 132.00 125.10 1x4n h PRO 58 Ca -0.44 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.35 1x4n h PRO 58 Cb 1.34 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 32.13 1x4n h PRO 58 CO 0.26 0.53 -0.74 -1.21 -0.23 0.00 0.00 178.00 176.61 1x4n s GLU 59 N -3.35 0.21 0.04 0.86 8.01 -1.26 -3.35 118.70 119.87 1x4n s GLU 59 Ca 0.01 0.14 -0.24 0.00 0.01 0.00 0.00 54.97 54.88 1x4n s GLU 59 Cb 0.10 -0.48 -0.05 0.00 -4.31 0.00 0.00 34.13 29.39 1x4n s GLU 59 CO 0.73 -0.18 0.74 0.50 0.01 0.00 0.00 175.26 177.06 1x4n s ARG 60 N 1.25 4.47 -0.00 1.61 6.06 0.55 -4.75 118.95 128.14 1x4n s ARG 60 Ca -0.07 1.02 -0.30 0.00 -2.50 0.00 0.00 55.73 53.88 1x4n s ARG 60 Cb -0.13 -3.36 -0.04 0.00 0.06 0.00 0.00 34.95 31.48 1x4n s ARG 60 CO -0.02 0.29 1.10 0.45 -2.50 0.00 0.00 175.30 174.62 1x4n s SER 61 N -0.07 7.19 -0.27 -2.12 0.15 -1.26 -1.83 113.70 115.49 1x4n s SER 61 Ca 0.38 1.80 0.02 0.00 0.70 0.00 0.00 55.95 58.84 1x4n s SER 61 Cb -0.20 -2.57 0.07 0.00 -1.71 0.00 0.00 66.02 61.61 1x4n s SER 61 CO 0.22 -0.42 -0.04 0.00 1.20 0.00 0.00 173.24 174.20 1x4n s MET 63 N 1.19 4.06 0.16 0.00 -1.94 -0.69 -2.57 119.30 119.52 1x4n s MET 63 Ca -0.03 1.16 -0.03 0.00 -1.71 0.00 0.00 55.69 55.08 1x4n s MET 63 Cb -0.19 -3.76 -0.05 0.00 2.01 0.00 0.00 34.83 32.84 1x4n s MET 63 CO -0.07 -0.91 0.37 -0.51 -0.01 0.00 0.00 175.02 173.89 1x4n s LEU 64 N 3.74 4.25 -0.08 -0.03 1.02 -0.89 -1.44 118.68 125.25 1x4n s LEU 64 Ca 0.48 0.49 -0.04 0.00 0.02 0.00 0.00 54.13 55.08 1x4n s LEU 64 Cb -0.14 -3.23 0.04 0.00 0.02 0.00 0.00 46.19 42.89 1x4n s LEU 64 CO 0.16 0.02 0.18 -0.89 0.02 0.00 0.00 176.35 175.83 1x4n s THR 65 N -1.74 -0.07 -5.00 5.49 2.01 -1.00 -3.20 115.64 112.12 1x4n s THR 65 Ca 0.39 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.58 1x4n s THR 65 Cb -0.12 -0.29 0.00 0.00 0.01 0.00 0.00 72.50 72.11 1x4n s THR 65 CO 0.27 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.89 1x4n n GLY 66 N 4.34 0.81 3.45 4.40 0.00 -1.19 -1.38 105.19 115.62 1x4n n GLY 66 Ca -0.24 -1.85 -0.32 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 0.05 2.61 -2.24 -1.26 -2.62 114.28 119.81 1x4n n THR 67 Ca 0.00 -0.18 -0.14 0.00 -2.27 0.00 0.00 64.05 61.45 1x4n n THR 67 Cb 0.00 -0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 67.47 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 -1.77 0.52 0.00 -0.78 0.13 -1.94 -2.01 132.00 126.16 1x4n h PRO 68 Ca -0.46 -0.51 -0.02 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 0.37 1.14 -0.08 1.49 -0.23 0.00 0.00 178.00 180.69 1x4n h GLU 69 N 0.32 0.00 0.21 0.86 4.57 -2.00 -2.48 114.58 116.07 1x4n h GLU 69 Ca -0.07 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.76 1x4n h GLU 69 Cb 1.52 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 30.13 1x4n h GLU 69 CO 0.16 0.08 -1.65 0.77 -1.18 0.00 0.00 179.01 177.19 1x4n h SER 70 N 0.00 0.71 -0.69 1.04 0.02 -1.82 -2.72 113.55 110.09 1x4n h SER 70 Ca -0.00 -0.93 0.00 0.00 -0.84 0.00 0.00 61.79 60.02 1x4n h SER 70 Cb 0.62 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 1x4n h SER 70 CO 0.01 1.76 0.44 0.58 -1.14 0.00 0.00 176.83 178.48 1x4n h VAL 71 N 0.12 1.19 0.23 2.27 2.07 -1.18 0.22 116.25 121.17 1x4n h VAL 71 Ca -0.31 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1x4n h VAL 71 Cb 2.13 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1x4n h VAL 71 CO 0.22 0.19 -0.11 1.56 0.02 0.00 0.00 177.57 179.45 1x4n h GLN 72 N 0.94 -0.29 -0.32 1.57 4.20 -1.55 0.74 115.11 120.39 1x4n h GLN 72 Ca 0.25 0.02 0.07 0.00 0.06 0.00 0.00 58.65 59.05 1x4n h GLN 72 Cb -0.07 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.71 1x4n h GLN 72 CO -0.05 -0.01 -0.09 0.77 -0.67 0.00 0.00 178.83 178.78 1x4n h SER 73 N -0.57 -0.33 -0.34 1.46 0.02 -1.26 0.07 113.55 112.59 1x4n h SER 73 Ca -0.03 0.10 0.03 0.00 -0.84 0.00 0.00 61.79 61.05 1x4n h SER 73 Cb 0.42 0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.14 1x4n h SER 73 CO 0.05 -0.12 0.16 0.00 -1.14 0.00 0.00 176.83 175.78 1x4n h ALA 74 N 1.30 0.41 -0.23 3.77 0.00 -0.52 -2.18 119.26 121.80 1x4n h ALA 74 Ca 0.16 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1x4n h ALA 74 Cb 0.25 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 1x4n h ALA 74 CO -0.34 -0.22 -0.38 0.87 0.00 0.00 0.00 179.25 179.17 1x4n h LYS 75 N 0.33 -0.38 -0.73 0.00 1.57 0.33 0.57 116.57 118.26 1x4n h LYS 75 Ca 0.14 0.03 0.16 0.00 -1.87 0.00 0.00 60.65 59.11 1x4n h LYS 75 Cb 0.07 0.09 -0.12 0.00 0.08 0.00 0.00 32.23 32.34 1x4n h LYS 75 CO -0.11 -0.26 0.02 0.00 -0.57 0.00 0.00 179.45 178.53 1x4n h ARG 76 N -0.40 0.11 -0.85 3.15 2.47 -0.59 0.65 114.38 118.91 1x4n h ARG 76 Ca 0.11 -0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.88 1x4n h ARG 76 Cb 0.59 -0.03 -0.06 0.00 -1.65 0.00 0.00 29.97 28.82 1x4n h ARG 76 CO -0.44 0.07 0.53 -0.07 0.56 0.00 0.00 179.97 180.62 1x4n h LEU 77 N 0.12 0.83 0.13 3.04 3.38 -0.41 0.16 115.31 122.56 1x4n h LEU 77 Ca 0.39 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.37 1x4n h LEU 77 Cb 0.68 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1x4n h LEU 77 CO -0.63 0.54 -0.06 -0.07 0.09 0.00 0.00 178.44 178.31 1x4n h LEU 78 N 0.97 -0.15 -1.90 1.67 3.38 0.21 -2.34 115.31 117.16 1x4n h LEU 78 Ca 0.37 0.01 0.46 0.00 0.09 0.00 0.00 57.88 58.80 1x4n h LEU 78 Cb 0.16 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 1x4n h LEU 78 CO -0.17 -0.08 1.19 -0.78 0.09 0.00 0.00 178.44 178.69 1x4n h ASP 79 N -0.21 0.00 0.35 -0.43 1.82 -0.31 0.13 116.42 117.77 1x4n h ASP 79 Ca -0.02 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.61 1x4n h ASP 79 Cb 0.13 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.14 1x4n h ASP 79 CO 0.03 0.00 -0.17 1.56 -1.61 0.00 0.00 179.24 179.05 1x4n h GLN 80 N 0.00 -0.46 -0.92 0.28 1.08 -0.40 0.25 115.11 114.94 1x4n h GLN 80 Ca 0.75 0.03 0.23 0.00 -1.45 0.00 0.00 58.65 58.21 1x4n h GLN 80 Cb 3.13 0.10 -0.17 0.00 -0.05 0.00 0.00 27.48 30.49 1x4n h GLN 80 CO -0.01 -0.30 -0.03 0.82 -0.95 0.00 0.00 178.83 178.36 1x4n h ILE 81 N -0.52 0.12 0.63 2.54 2.04 -0.22 1.53 117.51 123.61 1x4n h ILE 81 Ca -0.05 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 1x4n h ILE 81 Cb 0.36 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1x4n h ILE 81 CO 0.08 0.01 -0.36 0.58 0.00 0.00 0.00 178.15 178.46 1x4n h VAL 82 N 0.04 0.26 -0.32 1.67 2.07 -1.33 -2.08 116.25 116.56 1x4n h VAL 82 Ca 0.52 0.00 0.06 0.00 0.82 0.00 0.00 66.70 68.10 1x4n h VAL 82 Cb 0.99 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 1x4n h VAL 82 CO -0.86 0.00 -0.00 -0.08 0.02 0.00 0.00 177.57 176.65 1x4n h GLU 83 N -0.92 0.08 -1.18 1.57 4.22 0.32 0.78 114.58 119.45 1x4n h GLU 83 Ca -0.08 -0.01 0.34 0.00 0.08 0.00 0.00 59.36 59.69 1x4n h GLU 83 Cb 0.74 -0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.88 1x4n h GLU 83 CO 0.10 0.06 0.79 0.87 -2.18 0.00 0.00 179.01 178.64 1x4n h LYS 84 N 0.09 0.21 -2.16 1.92 1.79 0.21 -1.64 116.57 116.99 1x4n h LYS 84 Ca 0.15 -0.01 -0.57 0.00 -2.18 0.00 0.00 60.65 58.04 1x4n h LYS 84 Cb 0.21 -0.05 -0.41 0.00 -1.58 0.00 0.00 32.23 30.40 1x4n h LYS 84 CO -0.26 0.14 -0.78 0.41 -1.08 0.00 0.00 179.45 177.87 1x4n n GLY 85 N -1.57 4.60 2.68 3.86 0.00 0.20 -4.96 105.19 110.00 1x4n n GLY 85 Ca 0.29 -2.42 -0.31 0.00 0.00 0.00 0.00 46.02 43.58 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 0.47 2.79 -0.03 1.61 5.12 -0.62 -4.85 116.66 121.15 1x4n n ARG 86 Ca 0.28 -4.61 -0.01 0.00 -1.93 0.00 0.00 57.85 51.58 1x4n n ARG 86 Cb 0.46 -2.33 -0.00 0.00 -1.16 0.00 0.00 32.46 29.43 1x4n n ARG 86 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 1x4n h SER 87 N 4.80 0.00 -4.06 0.55 0.02 -1.88 -3.50 113.55 109.47 1x4n h SER 87 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1x4n h SER 87 Cb 0.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.22 1x4n h SER 87 CO 0.91 0.31 0.00 0.61 -1.14 0.00 0.00 176.83 177.52 1x4n n GLY 88 N 1.77 0.97 3.56 -3.77 0.00 -1.26 -5.00 105.19 101.46 1x4n n GLY 88 Ca -0.02 -1.95 -0.35 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.63 3.07 -0.03 1.61 0.04 -1.26 -4.96 135.00 131.83 1x4n s PRO 89 Ca 0.00 -0.62 -0.01 0.00 0.04 0.00 0.00 61.00 60.41 1x4n s PRO 89 Cb 0.00 -5.12 -0.04 0.00 0.04 0.00 0.00 34.50 29.39 1x4n s PRO 89 CO 0.00 -2.74 0.05 0.45 0.04 0.00 0.00 177.00 174.80 1x4n s SER 90 N 6.40 5.55 -0.26 6.66 0.15 -1.26 -5.09 113.70 125.85 1x4n s SER 90 Ca 0.57 0.15 -0.03 0.00 0.70 0.00 0.00 55.95 57.34 1x4n s SER 90 Cb -0.04 -1.59 0.08 0.00 -1.71 0.00 0.00 66.02 62.77 1x4n s SER 90 CO -0.03 0.31 0.09 -0.55 1.20 0.00 0.00 173.24 174.26 1x4n s SER 91 N -1.43 3.36 0.00 5.45 0.15 -1.26 -5.26 113.70 114.71 1x4n s SER 91 Ca 0.19 -1.18 0.14 0.00 0.70 0.00 0.00 55.95 55.81 1x4n s SER 91 Cb -0.12 -0.54 0.11 0.00 -1.71 0.00 0.00 66.02 63.76 1x4n s SER 91 CO 0.09 -0.39 0.95 0.61 1.20 0.00 0.00 173.24 175.71