#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 -0.09 0.72 1.61 0.15 -1.26 -5.17 113.70 109.66 1x4n s SER 2 Ca 0.00 0.03 -0.08 0.00 0.70 0.00 0.00 55.95 56.61 1x4n s SER 2 Cb 0.00 0.09 0.06 0.00 -1.71 0.00 0.00 66.02 64.46 1x4n s SER 2 CO 0.00 -0.13 1.05 -0.55 1.20 0.00 0.00 173.24 174.80 1x4n s SER 3 N -1.78 4.80 -0.75 5.45 0.15 -1.26 -5.02 113.70 115.28 1x4n s SER 3 Ca 0.09 0.55 0.03 0.00 0.70 0.00 0.00 55.95 57.32 1x4n s SER 3 Cb -0.01 -1.18 0.30 0.00 -1.71 0.00 0.00 66.02 63.41 1x4n s SER 3 CO -0.04 -1.64 1.09 0.61 1.20 0.00 0.00 173.24 174.46 1x4n n GLY 4 N -2.99 5.31 3.47 9.45 0.00 -1.26 -5.03 105.19 114.14 1x4n n GLY 4 Ca 0.08 -2.74 -0.33 0.00 0.00 0.00 0.00 46.02 43.03 1x4n n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4n s SER 5 N -2.51 4.37 0.00 1.61 0.01 -1.26 -5.11 113.70 110.81 1x4n s SER 5 Ca 0.41 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.49 1x4n s SER 5 Cb 0.18 -1.45 -0.00 0.00 0.21 0.00 0.00 66.02 64.96 1x4n s SER 5 CO -0.04 0.24 -0.01 -0.55 0.41 0.00 0.00 173.24 173.28 1x4n s SER 6 N -0.06 0.14 0.06 2.44 0.15 -1.26 -5.16 113.70 110.01 1x4n s SER 6 Ca -0.01 -0.05 0.01 0.00 0.70 0.00 0.00 55.95 56.61 1x4n s SER 6 Cb -0.14 -0.01 -0.03 0.00 -1.71 0.00 0.00 66.02 64.13 1x4n s SER 6 CO 0.03 -0.00 -0.06 -0.83 1.20 0.00 0.00 173.24 173.58 1x4n s GLY 7 N -0.10 0.57 -0.19 9.45 0.00 -1.26 -5.16 107.32 110.63 1x4n s GLY 7 Ca -0.00 -1.07 -0.31 0.00 0.00 0.00 0.00 44.72 43.34 1x4n s GLY 7 CO -0.00 -1.16 1.15 -1.58 0.00 0.00 0.00 173.10 171.51 1x4n s HIS 8 N -2.79 -0.21 -0.30 1.90 5.65 -1.26 -5.15 115.29 113.13 1x4n s HIS 8 Ca 0.01 0.30 -0.15 0.00 0.25 0.00 0.00 55.06 55.47 1x4n s HIS 8 Cb -0.00 0.49 0.18 0.00 -1.18 0.00 0.00 32.58 32.06 1x4n s HIS 8 CO -0.04 -0.23 1.14 -1.14 -0.65 0.00 0.00 174.74 173.82 1x4n s GLN 9 N -1.53 0.10 0.07 2.88 0.74 -1.26 -5.16 119.66 115.49 1x4n s GLN 9 Ca 0.05 0.15 -0.07 0.00 0.05 0.00 0.00 55.36 55.54 1x4n s GLN 9 Cb -0.01 0.08 -0.05 0.00 1.10 0.00 0.00 33.01 34.13 1x4n s GLN 9 CO -0.04 -0.13 0.33 -1.14 -0.55 0.00 0.00 175.29 173.77 1x4n s GLN 10 N 2.97 3.64 0.41 1.67 0.74 -1.26 -5.04 119.66 122.80 1x4n s GLN 10 Ca 0.06 -0.02 0.06 0.00 0.05 0.00 0.00 55.36 55.50 1x4n s GLN 10 Cb -0.06 -2.99 0.01 0.00 1.10 0.00 0.00 33.01 31.06 1x4n s GLN 10 CO -0.13 0.57 0.58 -0.65 -0.55 0.00 0.00 175.29 175.11 1x4n s GLN 11 N -2.08 2.91 0.30 1.67 1.11 -1.26 -5.11 119.66 117.20 1x4n s GLN 11 Ca 0.33 -1.01 -0.05 0.00 0.01 0.00 0.00 55.36 54.63 1x4n s GLN 11 Cb -0.13 -2.72 -0.05 0.00 -1.01 0.00 0.00 33.01 29.10 1x4n s GLN 11 CO 0.20 -0.23 0.57 1.03 0.01 0.00 0.00 175.29 176.87 1x4n s ARG 12 N -4.38 3.65 0.46 2.91 0.52 -1.26 -4.95 118.95 115.90 1x4n s ARG 12 Ca 0.51 0.05 0.00 0.00 -0.52 0.00 0.00 55.73 55.77 1x4n s ARG 12 Cb -0.10 -2.63 0.00 0.00 0.52 0.00 0.00 34.95 32.74 1x4n s ARG 12 CO 0.34 0.20 0.00 0.43 0.02 0.00 0.00 175.30 176.29 1x4n n SER 13 N -0.94 -7.40 -4.29 0.23 7.64 -1.26 -4.94 113.62 102.66 1x4n n SER 13 Ca -0.01 0.99 -0.23 0.00 1.01 0.00 0.00 58.87 60.63 1x4n n SER 13 Cb 0.54 -4.37 -0.12 0.00 -1.01 0.00 0.00 64.21 59.25 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 -3.54 1.67 0.25 0.44 1.01 -1.26 -4.68 120.40 114.29 1x4n s VAL 14 Ca 0.00 -1.62 0.05 0.00 0.00 0.00 0.00 61.98 60.41 1x4n s VAL 14 Cb 0.00 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 1x4n s VAL 14 CO 0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 175.10 174.92 1x4n s MET 15 N -2.14 1.43 0.10 2.72 0.23 -1.10 -4.93 119.30 115.61 1x4n s MET 15 Ca 0.08 -1.72 0.06 0.00 -1.03 0.00 0.00 55.69 53.08 1x4n s MET 15 Cb -0.09 -0.85 -0.04 0.00 -1.53 0.00 0.00 34.83 32.32 1x4n s MET 15 CO 0.05 -0.04 -0.03 0.99 -2.03 0.00 0.00 175.02 173.96 1x4n s THR 16 N -3.24 3.78 0.00 3.16 2.01 -1.26 -2.62 115.64 117.47 1x4n s THR 16 Ca 0.29 -1.12 -0.02 0.00 0.31 0.00 0.00 61.69 61.15 1x4n s THR 16 Cb 0.05 -2.80 -0.01 0.00 0.01 0.00 0.00 72.50 69.75 1x4n s THR 16 CO 0.10 0.10 0.03 -0.70 -0.69 0.00 0.00 174.62 173.46 1x4n s GLU 17 N -2.34 0.24 -0.36 4.92 2.56 -0.94 -4.99 118.70 117.80 1x4n s GLU 17 Ca 0.25 -0.30 -0.06 0.00 0.00 0.00 0.00 54.97 54.86 1x4n s GLU 17 Cb -0.11 0.10 0.06 0.00 2.00 0.00 0.00 34.13 36.17 1x4n s GLU 17 CO 0.17 -0.05 0.13 -2.00 -0.56 0.00 0.00 175.26 172.95 1x4n s GLU 18 N -0.86 2.50 -0.16 4.30 2.12 -1.26 -1.59 118.70 123.75 1x4n s GLU 18 Ca -0.09 -1.33 -0.00 0.00 0.36 0.00 0.00 54.97 53.90 1x4n s GLU 18 Cb -0.06 -3.49 -0.00 0.00 0.26 0.00 0.00 34.13 30.84 1x4n s GLU 18 CO -0.00 -0.76 -0.13 -0.47 -0.54 0.00 0.00 175.26 173.35 1x4n s TYR 19 N 1.35 2.81 -0.16 5.30 5.04 -1.09 -4.98 117.35 125.62 1x4n s TYR 19 Ca -0.00 -0.96 -0.09 0.00 -2.44 0.00 0.00 57.07 53.57 1x4n s TYR 19 Cb -0.21 -1.91 -0.05 0.00 0.35 0.00 0.00 41.96 40.15 1x4n s TYR 19 CO 0.01 -0.44 0.16 0.15 -1.34 0.00 0.00 175.55 174.09 1x4n s LYS 20 N 0.82 3.90 0.21 4.97 1.02 -1.26 0.01 119.74 129.41 1x4n s LYS 20 Ca -0.05 -0.13 0.08 0.00 0.02 0.00 0.00 55.97 55.90 1x4n s LYS 20 Cb -0.15 -3.32 -0.05 0.00 -0.52 0.00 0.00 37.83 33.79 1x4n s LYS 20 CO 0.00 0.49 -0.16 0.14 -0.92 0.00 0.00 175.35 174.91 1x4n s VAL 21 N -0.22 1.84 -0.19 3.17 -7.23 -0.04 -4.89 120.40 112.84 1x4n s VAL 21 Ca 0.12 -2.20 -0.29 0.00 -1.81 0.00 0.00 61.98 57.80 1x4n s VAL 21 Cb -0.12 -2.05 -0.01 0.00 0.56 0.00 0.00 36.38 34.76 1x4n s VAL 21 CO 0.01 -0.54 1.29 -2.16 -0.31 0.00 0.00 175.10 173.39 1x4n s PRO 22 N -3.52 4.16 0.63 4.82 0.04 -1.26 0.19 135.00 140.05 1x4n s PRO 22 Ca 0.23 1.60 0.29 0.00 0.04 0.00 0.00 61.00 63.15 1x4n s PRO 22 Cb -0.02 -3.80 1.56 0.00 0.04 0.00 0.00 34.50 32.29 1x4n s PRO 22 CO 0.08 -0.80 1.92 0.22 0.04 0.00 0.00 177.00 178.46 1x4n h ASP 23 N 8.50 0.00 0.23 6.66 1.82 -1.88 1.57 116.42 133.33 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 1.10 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.11 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 -1.35 -0.99 0.05 -0.78 0.00 -1.26 -3.65 105.19 97.20 1x4n n GLY 24 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.13 0.00 -0.29 1.61 2.81 0.50 -4.78 117.12 115.84 1x4n n MET 25 Ca 0.17 0.00 0.01 0.00 -1.81 0.00 0.00 57.70 56.06 1x4n n MET 25 Cb 0.15 -0.83 0.08 0.00 -0.71 0.00 0.00 33.22 31.90 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 0.14 -1.19 2.03 3.04 -0.55 1.74 116.25 121.48 1x4n h VAL 26 Ca 0.00 0.00 0.34 0.00 -1.01 0.00 0.00 66.70 66.03 1x4n h VAL 26 Cb 0.70 0.14 -0.06 0.00 -2.01 0.00 0.00 31.29 30.07 1x4n h VAL 26 CO 0.00 0.00 0.84 1.23 -1.01 0.00 0.00 177.57 178.63 1x4n h GLY 27 N -0.03 0.21 0.66 3.17 0.00 -1.82 1.08 103.07 106.33 1x4n h GLY 27 Ca 0.36 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.63 1x4n h GLY 27 CO -0.84 -0.03 -1.39 0.33 0.00 0.00 0.00 176.54 174.61 1x4n n PHE 28 N -4.25 0.64 -0.18 5.60 7.35 0.55 -4.10 117.46 123.07 1x4n n PHE 28 Ca 0.26 0.19 -0.09 0.00 -0.76 0.00 0.00 57.45 57.05 1x4n n PHE 28 Cb 1.21 -0.83 0.01 0.00 0.35 0.00 0.00 39.48 40.22 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 0.17 -2.13 2.04 0.55 -3.08 117.51 116.32 1x4n h ILE 29 Ca -0.03 -1.02 0.02 0.00 1.00 0.00 0.00 64.86 64.82 1x4n h ILE 29 Cb 1.08 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 38.02 1x4n h ILE 29 CO 0.00 0.36 -0.40 0.40 0.00 0.00 0.00 178.15 178.52 1x4n h ILE 30 N 0.77 0.19 -0.99 -0.67 5.03 -1.40 -2.05 117.51 118.40 1x4n h ILE 30 Ca 0.15 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.89 1x4n h ILE 30 Cb 0.47 0.19 0.00 0.00 -3.03 0.00 0.00 36.82 34.45 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 -1.46 0.80 3.17 5.37 0.00 -1.17 0.01 105.19 111.92 1x4n n GLY 31 Ca -0.08 -0.52 -0.18 0.00 0.00 0.00 0.00 46.02 45.25 1x4n n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4n n ARG 32 N -0.49 -1.00 0.00 1.61 5.12 -1.26 -3.08 116.66 117.55 1x4n n ARG 32 Ca 0.00 1.01 0.00 0.00 -1.93 0.00 0.00 57.85 56.93 1x4n n ARG 32 Cb 0.18 -1.37 0.00 0.00 -1.16 0.00 0.00 32.46 30.11 1x4n n ARG 32 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1x4n n GLY 33 N 0.55 3.12 0.00 -0.13 0.00 -1.26 -4.50 105.19 102.97 1x4n n GLY 33 Ca -0.04 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 0.00 1.03 0.08 -0.02 0.00 -1.17 -5.04 105.19 100.07 1x4n n GLY 34 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1x4n n GLY 34 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1x4n n GLU 35 N 0.00 0.65 0.07 1.61 2.13 -0.32 -3.08 120.64 121.70 1x4n n GLU 35 Ca 0.00 0.10 -0.10 0.00 0.66 0.00 0.00 57.16 57.82 1x4n n GLU 35 Cb 0.00 -1.68 -0.01 0.00 0.27 0.00 0.00 31.44 30.02 1x4n n GLU 35 CO 0.00 0.00 0.00 0.37 -0.41 0.00 0.00 177.13 177.09 1x4n h GLN 36 N 0.00 0.30 0.02 5.31 5.75 -0.58 -3.10 115.11 122.81 1x4n h GLN 36 Ca -0.27 -0.31 -0.11 0.00 -0.15 0.00 0.00 58.65 57.81 1x4n h GLN 36 Cb 1.76 0.08 0.01 0.00 1.07 0.00 0.00 27.48 30.40 1x4n h GLN 36 CO 0.04 0.99 -0.43 0.97 -2.65 0.00 0.00 178.83 177.75 1x4n h ILE 37 N 0.18 1.52 -0.64 2.39 6.09 -0.59 -3.29 117.51 123.17 1x4n h ILE 37 Ca -0.05 -2.09 0.09 0.00 -1.37 0.00 0.00 64.86 61.43 1x4n h ILE 37 Cb 1.47 2.80 -0.11 0.00 0.47 0.00 0.00 36.82 41.45 1x4n h ILE 37 CO 0.14 0.59 -0.46 -1.28 -3.07 0.00 0.00 178.15 174.07 1x4n h SER 38 N -0.38 -1.59 -1.15 2.19 0.87 -1.60 1.27 113.55 113.18 1x4n h SER 38 Ca -0.06 0.26 0.32 0.00 -1.23 0.00 0.00 61.79 61.08 1x4n h SER 38 Cb 1.20 0.72 -0.06 0.00 -0.44 0.00 0.00 62.40 63.81 1x4n h SER 38 CO 0.08 -0.33 0.80 -0.09 -0.53 0.00 0.00 176.83 176.77 1x4n h ARG 39 N -0.20 0.11 0.08 2.24 2.43 -1.64 1.10 114.38 118.50 1x4n h ARG 39 Ca 0.18 -0.01 -0.28 0.00 -0.81 0.00 0.00 59.98 59.07 1x4n h ARG 39 Cb 0.55 -0.02 0.02 0.00 -0.42 0.00 0.00 29.97 30.10 1x4n h ARG 39 CO -0.73 0.07 -1.16 0.82 -1.51 0.00 0.00 179.97 177.46 1x4n h ILE 40 N 0.11 1.32 -0.13 1.20 2.04 0.14 0.39 117.51 122.58 1x4n h ILE 40 Ca 0.58 -2.48 -0.10 0.00 1.00 0.00 0.00 64.86 63.85 1x4n h ILE 40 Cb 2.06 2.62 -0.01 0.00 -0.74 0.00 0.00 36.82 40.74 1x4n h ILE 40 CO -0.10 0.75 -0.38 1.56 0.00 0.00 0.00 178.15 179.98 1x4n h GLN 41 N 0.27 0.29 0.17 2.37 4.20 0.43 -2.19 115.11 120.66 1x4n h GLN 41 Ca -0.15 -0.13 -0.34 0.00 0.06 0.00 0.00 58.65 58.09 1x4n h GLN 41 Cb 1.83 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 29.61 1x4n h GLN 41 CO 0.22 0.63 -1.67 1.96 -0.67 0.00 0.00 178.83 179.29 1x4n h GLN 42 N 0.24 0.37 0.29 1.46 1.08 0.24 0.21 115.11 119.00 1x4n h GLN 42 Ca 0.03 -0.63 0.00 0.00 -1.45 0.00 0.00 58.65 56.60 1x4n h GLN 42 Cb 0.78 0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 28.42 1x4n h GLN 42 CO 0.06 1.27 -0.38 0.93 -0.95 0.00 0.00 178.83 179.76 1x4n h GLU 43 N 0.10 -0.70 0.00 1.46 4.39 -0.13 -2.71 114.58 116.99 1x4n h GLU 43 Ca -0.31 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1x4n h GLU 43 Cb 2.09 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.90 1x4n h GLU 43 CO 0.18 -0.47 -0.61 0.66 -1.16 0.00 0.00 179.01 177.61 1x4n h SER 44 N -0.73 0.00 -0.81 1.42 4.64 -1.56 -3.48 113.55 113.04 1x4n h SER 44 Ca -0.01 -0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.13 1x4n h SER 44 Cb 0.68 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.74 1x4n h SER 44 CO -0.12 0.00 -0.19 0.61 -0.87 0.00 0.00 176.83 176.26 1x4n n GLY 45 N 1.15 0.52 3.76 -0.77 0.00 0.64 -4.65 105.19 105.84 1x4n n GLY 45 Ca 0.02 -0.59 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.45 4.20 -0.26 0.00 2.20 -0.35 -4.40 119.74 117.68 1x4n s LYS 47 Ca 0.31 0.75 -0.02 0.00 -0.36 0.00 0.00 55.97 56.65 1x4n s LYS 47 Cb -0.08 -3.06 0.08 0.00 -1.51 0.00 0.00 37.83 33.26 1x4n s LYS 47 CO 0.23 0.52 0.08 0.42 -0.36 0.00 0.00 175.35 176.24 1x4n s ILE 48 N -1.32 0.59 -0.50 5.43 1.01 -1.26 -2.16 121.20 122.99 1x4n s ILE 48 Ca 0.36 -0.95 -0.12 0.00 0.00 0.00 0.00 60.65 59.93 1x4n s ILE 48 Cb -0.18 -1.30 0.12 0.00 0.01 0.00 0.00 42.46 41.11 1x4n s ILE 48 CO 0.20 -0.49 0.41 -1.10 0.00 0.00 0.00 174.94 173.96 1x4n s GLN 49 N 1.79 2.69 -0.18 2.79 -0.21 0.22 -4.97 119.66 121.79 1x4n s GLN 49 Ca 0.05 -1.73 -0.16 0.00 0.02 0.00 0.00 55.36 53.54 1x4n s GLN 49 Cb -0.17 -4.08 -0.04 0.00 1.00 0.00 0.00 33.01 29.72 1x4n s GLN 49 CO -0.20 -1.24 0.40 0.42 -2.12 0.00 0.00 175.29 172.55 1x4n s ILE 50 N 1.46 5.21 0.80 1.08 1.01 -1.26 -1.22 121.20 128.28 1x4n s ILE 50 Ca 0.05 0.73 -0.11 0.00 0.00 0.00 0.00 60.65 61.32 1x4n s ILE 50 Cb -0.28 -3.73 0.08 0.00 0.01 0.00 0.00 42.46 38.54 1x4n s ILE 50 CO 0.01 0.28 1.13 0.00 0.00 0.00 0.00 174.94 176.36 1x4n s ALA 51 N 1.09 2.00 0.00 9.38 0.00 -1.20 -5.01 121.76 128.01 1x4n s ALA 51 Ca 0.20 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1x4n s ALA 51 Cb -0.15 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1x4n s ALA 51 CO 0.08 -2.07 0.14 -0.35 0.00 0.00 0.00 175.76 173.56 1x4n n PRO 52 N -3.55 0.00 -2.93 0.00 -0.04 -1.26 -4.81 135.00 122.41 1x4n n PRO 52 Ca 0.11 0.07 -0.41 0.00 -0.04 0.00 0.00 63.50 63.23 1x4n n PRO 52 Cb 0.52 -0.70 -0.04 0.00 -0.04 0.00 0.00 33.50 33.24 1x4n n PRO 52 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1x4n s ASP 53 N -1.47 7.12 0.00 3.54 1.01 -1.26 -4.92 116.67 120.69 1x4n s ASP 53 Ca 0.00 1.35 0.23 0.00 0.71 0.00 0.00 52.55 54.84 1x4n s ASP 53 Cb 0.00 -2.47 1.16 0.00 1.01 0.00 0.00 42.92 42.62 1x4n s ASP 53 CO 0.00 -0.18 1.77 -0.24 0.21 0.00 0.00 175.17 176.74 1x4n n SER 54 N 3.87 0.65 -0.11 0.27 2.88 -1.26 -4.86 113.62 115.06 1x4n n SER 54 Ca 0.01 -1.43 -0.01 0.00 -1.33 0.00 0.00 58.87 56.11 1x4n n SER 54 Cb 0.51 -0.03 -0.01 0.00 -0.75 0.00 0.00 64.21 63.94 1x4n n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4n n GLY 55 N 0.97 0.26 0.85 0.46 0.00 -1.26 -0.90 105.19 105.57 1x4n n GLY 55 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.06 0.75 3.82 -0.02 0.00 -1.26 -5.07 105.19 103.35 1x4n n GLY 56 Ca -0.01 -0.40 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 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 0.35 0.99 2.01 -0.07 -4.96 118.68 120.46 1x4n s LEU 57 Ca 0.00 1.71 0.18 0.00 0.01 0.00 0.00 54.13 56.03 1x4n s LEU 57 Cb 0.00 -4.52 0.48 0.00 0.01 0.00 0.00 46.19 42.16 1x4n s LEU 57 CO 0.00 -1.04 1.64 1.55 1.01 0.00 0.00 176.35 179.50 1x4n h PRO 58 N 0.36 0.00 -4.86 1.29 0.13 -1.95 -3.44 132.00 123.53 1x4n h PRO 58 Ca -0.46 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.19 1x4n h PRO 58 Cb 1.21 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.03 1x4n h PRO 58 CO 0.59 0.41 -0.81 -1.21 -0.23 0.00 0.00 178.00 176.75 1x4n s GLU 59 N -3.37 1.30 -0.17 0.86 8.01 -1.26 -3.23 118.70 120.85 1x4n s GLU 59 Ca 0.02 -0.42 -0.22 0.00 0.01 0.00 0.00 54.97 54.35 1x4n s GLU 59 Cb 0.10 -1.16 -0.03 0.00 -4.31 0.00 0.00 34.13 28.73 1x4n s GLU 59 CO 0.70 0.16 0.68 0.50 0.01 0.00 0.00 175.26 177.31 1x4n s ARG 60 N 0.15 4.27 0.18 1.61 6.06 0.49 -4.73 118.95 126.99 1x4n s ARG 60 Ca -0.04 0.73 -0.30 0.00 -2.50 0.00 0.00 55.73 53.63 1x4n s ARG 60 Cb -0.10 -3.55 -0.08 0.00 0.06 0.00 0.00 34.95 31.28 1x4n s ARG 60 CO 0.01 -0.19 1.12 0.45 -2.50 0.00 0.00 175.30 174.19 1x4n s SER 61 N 1.10 7.23 -0.27 -2.12 0.15 -1.26 -0.86 113.70 117.68 1x4n s SER 61 Ca 0.32 2.12 -0.01 0.00 0.70 0.00 0.00 55.95 59.09 1x4n s SER 61 Cb -0.16 -2.61 0.08 0.00 -1.71 0.00 0.00 66.02 61.63 1x4n s SER 61 CO 0.12 -0.25 0.05 0.00 1.20 0.00 0.00 173.24 174.36 1x4n s MET 63 N 1.59 4.14 0.07 0.00 -1.94 -0.36 -2.68 119.30 120.12 1x4n s MET 63 Ca 0.04 1.43 0.00 0.00 -1.71 0.00 0.00 55.69 55.45 1x4n s MET 63 Cb -0.18 -3.77 -0.04 0.00 2.01 0.00 0.00 34.83 32.86 1x4n s MET 63 CO -0.16 -0.82 0.23 -0.51 -0.01 0.00 0.00 175.02 173.75 1x4n s LEU 64 N 3.68 4.35 -0.08 -0.03 1.02 -0.62 -0.61 118.68 126.38 1x4n s LEU 64 Ca 0.52 0.28 -0.04 0.00 0.02 0.00 0.00 54.13 54.91 1x4n s LEU 64 Cb -0.18 -2.97 0.04 0.00 0.02 0.00 0.00 46.19 43.10 1x4n s LEU 64 CO 0.15 0.15 0.18 -0.89 0.02 0.00 0.00 176.35 175.96 1x4n s THR 65 N -1.54 -0.13 -5.00 5.49 2.01 -0.92 -2.21 115.64 113.34 1x4n s THR 65 Ca 0.35 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.57 1x4n s THR 65 Cb -0.13 -0.30 0.00 0.00 0.01 0.00 0.00 72.50 72.08 1x4n s THR 65 CO 0.28 0.09 0.00 0.61 -0.69 0.00 0.00 174.62 174.91 1x4n n GLY 66 N 4.56 0.35 3.54 4.40 0.00 -1.08 -1.21 105.19 115.75 1x4n n GLY 66 Ca -0.20 -1.66 -0.31 0.00 0.00 0.00 0.00 46.02 43.85 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 0.06 2.61 -2.24 -1.26 -2.70 114.28 119.75 1x4n n THR 67 Ca 0.00 -0.14 -0.12 0.00 -2.27 0.00 0.00 64.05 61.53 1x4n n THR 67 Cb 0.00 -0.86 -0.01 0.00 -2.10 0.00 0.00 70.33 67.36 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 -1.92 0.39 0.00 -0.78 0.13 -1.94 -1.73 132.00 126.16 1x4n h PRO 68 Ca -0.46 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.29 1x4n h PRO 68 Cb 1.29 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1x4n h PRO 68 CO 0.40 1.04 0.00 0.93 -0.23 0.00 0.00 178.00 180.14 1x4n h GLU 69 N 0.24 0.00 0.08 0.86 5.08 -1.96 -2.78 114.58 116.11 1x4n h GLU 69 Ca -0.06 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.99 1x4n h GLU 69 Cb 1.46 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.69 1x4n h GLU 69 CO 0.15 0.00 -1.70 0.77 -1.00 0.00 0.00 179.01 177.22 1x4n h SER 70 N 0.00 0.28 -0.31 1.42 0.02 -1.79 -2.90 113.55 110.26 1x4n h SER 70 Ca 0.00 -0.50 -0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1x4n h SER 70 Cb 0.63 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 1x4n h SER 70 CO 0.00 1.43 0.20 0.58 -1.14 0.00 0.00 176.83 177.90 1x4n h VAL 71 N 0.05 1.10 0.18 2.27 2.07 -1.14 -0.12 116.25 120.67 1x4n h VAL 71 Ca -0.30 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1x4n h VAL 71 Cb 2.02 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 1x4n h VAL 71 CO 0.12 0.10 -0.09 1.56 0.02 0.00 0.00 177.57 179.28 1x4n h GLN 72 N 0.41 -0.23 -0.69 1.57 4.20 -1.64 -0.38 115.11 118.34 1x4n h GLN 72 Ca 0.11 0.02 0.15 0.00 0.06 0.00 0.00 58.65 58.99 1x4n h GLN 72 Cb -0.01 0.05 -0.12 0.00 0.30 0.00 0.00 27.48 27.70 1x4n h GLN 72 CO -0.02 0.08 -0.05 0.77 -0.67 0.00 0.00 178.83 178.94 1x4n h SER 73 N -0.57 -0.42 -0.15 1.46 0.02 -1.38 0.49 113.55 113.00 1x4n h SER 73 Ca -0.02 0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1x4n h SER 73 Cb 0.43 0.35 -0.01 0.00 0.14 0.00 0.00 62.40 63.31 1x4n h SER 73 CO 0.04 -0.18 0.06 0.00 -1.14 0.00 0.00 176.83 175.61 1x4n h ALA 74 N 1.66 0.19 -0.47 3.77 0.00 -0.95 -2.49 119.26 120.97 1x4n h ALA 74 Ca 0.36 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.27 1x4n h ALA 74 Cb 0.60 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.25 1x4n h ALA 74 CO -0.64 -0.23 -0.07 0.87 0.00 0.00 0.00 179.25 179.17 1x4n h LYS 75 N 0.09 0.04 -0.84 0.00 1.57 0.10 0.46 116.57 118.00 1x4n h LYS 75 Ca 0.05 -0.00 0.17 0.00 -1.87 0.00 0.00 60.65 59.00 1x4n h LYS 75 Cb 0.15 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.39 1x4n h LYS 75 CO -0.00 0.03 0.56 0.00 -0.57 0.00 0.00 179.45 179.46 1x4n h ARG 76 N 0.04 0.43 -0.03 3.15 2.47 0.12 0.94 114.38 121.50 1x4n h ARG 76 Ca 0.23 -0.03 -0.24 0.00 -1.26 0.00 0.00 59.98 58.68 1x4n h ARG 76 Cb 0.35 -0.10 0.02 0.00 -1.65 0.00 0.00 29.97 28.60 1x4n h ARG 76 CO -0.45 0.29 -0.93 -0.07 0.56 0.00 0.00 179.97 179.36 1x4n h LEU 77 N 0.45 0.87 0.57 3.04 3.38 0.12 -2.17 115.31 121.57 1x4n h LEU 77 Ca 0.43 -0.72 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 1x4n h LEU 77 Cb 0.98 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.47 1x4n h LEU 77 CO -0.16 1.47 -0.28 -0.07 0.09 0.00 0.00 178.44 179.50 1x4n h LEU 78 N 0.35 -0.65 -0.81 1.67 3.38 0.24 -2.64 115.31 116.85 1x4n h LEU 78 Ca -0.11 0.02 0.20 0.00 0.09 0.00 0.00 57.88 58.08 1x4n h LEU 78 Cb 1.59 0.17 -0.13 0.00 0.09 0.00 0.00 40.66 42.37 1x4n h LEU 78 CO 0.19 -0.35 0.11 -0.78 0.09 0.00 0.00 178.44 177.69 1x4n h ASP 79 N -1.00 -0.18 -0.29 -0.43 1.82 0.63 -0.19 116.42 116.79 1x4n h ASP 79 Ca -0.08 0.19 0.04 0.00 -0.39 0.00 0.00 57.03 56.79 1x4n h ASP 79 Cb 0.59 0.30 -0.07 0.00 0.68 0.00 0.00 39.33 40.83 1x4n h ASP 79 CO 0.13 -0.16 -0.54 1.56 -1.61 0.00 0.00 179.24 178.62 1x4n h GLN 80 N 0.16 -0.45 -0.89 0.28 1.08 -1.33 0.19 115.11 114.15 1x4n h GLN 80 Ca 0.47 0.03 0.10 0.00 -1.45 0.00 0.00 58.65 57.80 1x4n h GLN 80 Cb 0.88 0.10 -0.13 0.00 -0.05 0.00 0.00 27.48 28.29 1x4n h GLN 80 CO -0.65 -0.30 -0.51 0.82 -0.95 0.00 0.00 178.83 177.24 1x4n h ILE 81 N -0.46 0.01 0.01 2.54 2.04 -0.65 1.54 117.51 122.54 1x4n h ILE 81 Ca 0.05 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.94 1x4n h ILE 81 Cb 0.62 0.01 -0.06 0.00 -0.74 0.00 0.00 36.82 36.65 1x4n h ILE 81 CO -0.52 0.00 -0.48 0.58 0.00 0.00 0.00 178.15 177.73 1x4n h VAL 82 N -0.06 0.08 -0.24 1.67 2.07 -0.96 0.12 116.25 118.93 1x4n h VAL 82 Ca 0.21 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.79 1x4n h VAL 82 Cb 0.50 0.08 -0.07 0.00 -1.52 0.00 0.00 31.29 30.27 1x4n h VAL 82 CO -0.89 0.00 -0.25 -0.08 0.02 0.00 0.00 177.57 176.37 1x4n h GLU 83 N -0.63 -0.25 -0.06 1.57 4.81 0.21 0.72 114.58 120.94 1x4n h GLU 83 Ca 0.03 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1x4n h GLU 83 Cb 0.70 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.13 1x4n h GLU 83 CO -0.33 -0.17 0.31 0.87 -0.73 0.00 0.00 179.01 178.96 1x4n h LYS 84 N -0.26 0.00 -1.78 1.92 1.57 0.28 -1.13 116.57 117.16 1x4n h LYS 84 Ca 0.13 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.38 1x4n h LYS 84 Cb 0.47 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.37 1x4n h LYS 84 CO -0.39 0.00 -0.86 0.41 -0.57 0.00 0.00 179.45 178.04 1x4n n GLY 85 N -1.25 4.69 3.08 3.86 0.00 0.24 -5.02 105.19 110.79 1x4n n GLY 85 Ca -0.01 -2.33 -0.32 0.00 0.00 0.00 0.00 46.02 43.36 1x4n n GLY 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x4n s ARG 86 N -3.25 2.24 -0.38 1.61 1.81 -0.39 -4.83 118.95 115.76 1x4n s ARG 86 Ca 0.43 -1.35 0.05 0.00 -1.72 0.00 0.00 55.73 53.14 1x4n s ARG 86 Cb 0.36 -2.93 0.16 0.00 -0.45 0.00 0.00 34.95 32.09 1x4n s ARG 86 CO -0.11 -0.59 0.45 -1.12 -0.68 0.00 0.00 175.30 173.25 1x4n s SER 87 N 1.11 0.37 0.00 0.23 0.01 -1.26 -4.79 113.70 109.37 1x4n s SER 87 Ca -0.08 -1.38 0.00 0.00 1.31 0.00 0.00 55.95 55.80 1x4n s SER 87 Cb -0.20 0.97 0.00 0.00 0.21 0.00 0.00 66.02 67.00 1x4n s SER 87 CO -0.05 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 173.98 1x4n n GLY 88 N 4.26 -0.45 0.07 3.44 0.00 -1.26 -4.84 105.19 106.41 1x4n n GLY 88 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 1x4n n GLY 88 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4n h PRO 89 N 0.00 -0.03 -0.69 1.61 0.13 -2.06 -3.47 132.00 127.49 1x4n h PRO 89 Ca 0.00 0.00 0.23 0.00 -0.87 0.00 0.00 66.00 65.36 1x4n h PRO 89 Cb 0.00 0.01 -0.31 0.00 0.13 0.00 0.00 31.00 30.83 1x4n h PRO 89 CO 0.00 0.67 0.65 -1.54 -0.23 0.00 0.00 178.00 177.55 1x4n s SER 90 N -5.89 -0.08 -0.48 1.44 1.04 -1.26 -5.11 113.70 103.36 1x4n s SER 90 Ca -0.16 0.11 0.04 0.00 0.48 0.00 0.00 55.95 56.42 1x4n s SER 90 Cb -0.01 1.06 0.20 0.00 0.10 0.00 0.00 66.02 67.37 1x4n s SER 90 CO 0.64 -0.02 0.83 -0.24 0.98 0.00 0.00 173.24 175.43 1x4n n SER 91 N 3.70 -2.97 0.00 7.02 2.88 -1.26 -5.02 113.62 117.97 1x4n n SER 91 Ca -0.13 -2.46 0.00 0.00 -1.33 0.00 0.00 58.87 54.95 1x4n n SER 91 Cb 0.56 1.51 0.00 0.00 -0.75 0.00 0.00 64.21 65.53 1x4n n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42