#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 -1.85 0.08 1.61 2.88 -1.26 -5.03 113.62 110.05 1x4n n SER 2 Ca 0.00 1.39 0.00 0.00 -1.33 0.00 0.00 58.87 58.93 1x4n n SER 2 Cb 0.00 -4.98 0.00 0.00 -0.75 0.00 0.00 64.21 58.48 1x4n n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x4n n SER 3 N 1.81 0.52 -4.73 -3.46 7.64 -1.26 -5.12 113.62 109.02 1x4n n SER 3 Ca -0.35 0.24 -0.25 0.00 1.01 0.00 0.00 58.87 59.52 1x4n n SER 3 Cb 0.54 -0.03 -0.08 0.00 -1.01 0.00 0.00 64.21 63.63 1x4n n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4n s GLY 4 N -4.48 2.36 0.45 0.23 0.00 -1.26 -5.12 107.32 99.50 1x4n s GLY 4 Ca 0.00 -2.10 -0.22 0.00 0.00 0.00 0.00 44.72 42.41 1x4n s GLY 4 CO 0.00 -1.93 1.06 -0.56 0.00 0.00 0.00 173.10 171.66 1x4n s SER 5 N -3.90 6.46 -0.18 1.64 0.01 -1.26 -5.03 113.70 111.43 1x4n s SER 5 Ca 0.40 2.01 -0.06 0.00 1.31 0.00 0.00 55.95 59.61 1x4n s SER 5 Cb 0.04 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.67 1x4n s SER 5 CO 0.22 -0.70 0.03 -0.44 0.41 0.00 0.00 173.24 172.75 1x4n s SER 6 N -1.77 5.23 0.00 2.44 0.01 -1.26 -4.98 113.70 113.37 1x4n s SER 6 Ca 0.64 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.85 1x4n s SER 6 Cb -0.20 -1.89 0.00 0.00 0.21 0.00 0.00 66.02 64.15 1x4n s SER 6 CO 0.24 0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.64 1x4n n GLY 7 N 3.76 0.76 3.63 3.44 0.00 -1.26 -5.18 105.19 110.35 1x4n n GLY 7 Ca -0.17 -0.07 -0.06 0.00 0.00 0.00 0.00 46.02 45.73 1x4n n GLY 7 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1x4n s HIS 8 N 0.23 -0.20 -0.24 1.61 -0.00 -1.26 -5.18 115.29 110.26 1x4n s HIS 8 Ca 0.00 0.41 -0.22 0.00 -0.00 0.00 0.00 55.06 55.25 1x4n s HIS 8 Cb 0.00 0.46 0.06 0.00 -0.00 0.00 0.00 32.58 33.10 1x4n s HIS 8 CO 0.00 -0.14 0.64 -0.65 -0.00 0.00 0.00 174.74 174.59 1x4n s GLN 9 N -0.54 0.74 0.52 -0.38 -1.52 -1.26 -5.14 119.66 112.08 1x4n s GLN 9 Ca 0.05 0.90 0.00 0.00 -1.95 0.00 0.00 55.36 54.35 1x4n s GLN 9 Cb -0.03 0.35 0.00 0.00 -0.22 0.00 0.00 33.01 33.12 1x4n s GLN 9 CO -0.07 -0.09 0.00 1.04 -0.25 0.00 0.00 175.29 175.91 1x4n n GLN 10 N 2.79 -3.23 -2.80 2.91 6.02 -1.26 -4.97 117.38 116.84 1x4n n GLN 10 Ca -0.14 2.46 -0.04 0.00 -0.01 0.00 0.00 57.00 59.26 1x4n n GLN 10 Cb 0.56 -3.85 0.01 0.00 1.02 0.00 0.00 30.24 27.97 1x4n n GLN 10 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1x4n n GLN 11 N -4.36 -2.93 -3.41 -1.09 1.13 -1.26 -4.97 117.38 100.48 1x4n n GLN 11 Ca -0.05 2.45 -0.38 0.00 -1.94 0.00 0.00 57.00 57.08 1x4n n GLN 11 Cb 0.69 -5.40 -0.06 0.00 0.11 0.00 0.00 30.24 25.58 1x4n n GLN 11 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1x4n s ARG 12 N -2.08 4.11 0.27 -1.09 0.52 -1.26 -5.08 118.95 114.35 1x4n s ARG 12 Ca 0.12 0.45 0.06 0.00 -0.52 0.00 0.00 55.73 55.84 1x4n s ARG 12 Cb -0.03 -3.30 -0.03 0.00 0.52 0.00 0.00 34.95 32.11 1x4n s ARG 12 CO 0.77 0.48 0.31 -1.12 0.02 0.00 0.00 175.30 175.77 1x4n s SER 13 N -0.44 5.84 0.13 0.23 0.01 -1.26 -5.12 113.70 113.09 1x4n s SER 13 Ca 0.25 -0.16 0.10 0.00 1.31 0.00 0.00 55.95 57.44 1x4n s SER 13 Cb -0.16 -1.47 -0.04 0.00 0.21 0.00 0.00 66.02 64.55 1x4n s SER 13 CO 0.13 -0.16 -0.21 -0.69 0.41 0.00 0.00 173.24 172.72 1x4n s VAL 14 N -2.11 2.66 0.25 3.43 1.01 -1.26 -4.71 120.40 119.67 1x4n s VAL 14 Ca 0.36 -1.64 0.05 0.00 0.00 0.00 0.00 61.98 60.76 1x4n s VAL 14 Cb -0.08 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 1x4n s VAL 14 CO 0.28 0.06 -0.03 0.00 0.00 0.00 0.00 175.10 175.40 1x4n s MET 15 N -2.22 1.43 0.01 2.72 0.23 -1.12 -4.93 119.30 115.41 1x4n s MET 15 Ca 0.18 -1.72 0.07 0.00 -1.03 0.00 0.00 55.69 53.19 1x4n s MET 15 Cb -0.10 -0.87 -0.03 0.00 -1.53 0.00 0.00 34.83 32.30 1x4n s MET 15 CO 0.09 -0.03 -0.20 0.99 -2.03 0.00 0.00 175.02 173.85 1x4n s THR 16 N -3.23 2.64 0.02 3.16 2.01 -1.26 -2.58 115.64 116.40 1x4n s THR 16 Ca 0.28 -1.11 0.02 0.00 0.31 0.00 0.00 61.69 61.19 1x4n s THR 16 Cb 0.05 -2.06 -0.01 0.00 0.01 0.00 0.00 72.50 70.48 1x4n s THR 16 CO 0.10 0.43 -0.06 -0.70 -0.69 0.00 0.00 174.62 173.69 1x4n s GLU 17 N -1.15 0.47 -0.36 4.92 2.56 -0.88 -4.97 118.70 119.30 1x4n s GLU 17 Ca 0.13 -0.48 -0.07 0.00 0.00 0.00 0.00 54.97 54.55 1x4n s GLU 17 Cb -0.10 -0.33 0.05 0.00 2.00 0.00 0.00 34.13 35.75 1x4n s GLU 17 CO 0.03 0.08 0.14 -2.00 -0.56 0.00 0.00 175.26 172.95 1x4n s GLU 18 N -0.89 2.57 -0.21 4.30 2.12 -1.26 -0.69 118.70 124.64 1x4n s GLU 18 Ca -0.04 -1.29 -0.04 0.00 0.36 0.00 0.00 54.97 53.96 1x4n s GLU 18 Cb -0.06 -3.53 -0.01 0.00 0.26 0.00 0.00 34.13 30.79 1x4n s GLU 18 CO 0.00 -0.75 -0.04 -0.47 -0.54 0.00 0.00 175.26 173.46 1x4n s TYR 19 N 1.38 2.96 -0.11 5.30 5.04 -0.69 -4.93 117.35 126.31 1x4n s TYR 19 Ca -0.00 -0.82 -0.16 0.00 -2.44 0.00 0.00 57.07 53.65 1x4n s TYR 19 Cb -0.20 -2.09 -0.05 0.00 0.35 0.00 0.00 41.96 39.97 1x4n s TYR 19 CO 0.02 -0.46 0.41 0.15 -1.34 0.00 0.00 175.55 174.32 1x4n s LYS 20 N 1.32 4.22 0.19 4.97 1.02 -1.26 -0.37 119.74 129.83 1x4n s LYS 20 Ca 0.04 0.33 0.07 0.00 0.02 0.00 0.00 55.97 56.43 1x4n s LYS 20 Cb -0.14 -3.39 -0.05 0.00 -0.52 0.00 0.00 37.83 33.73 1x4n s LYS 20 CO -0.02 0.29 -0.12 0.14 -0.92 0.00 0.00 175.35 174.73 1x4n s VAL 21 N 0.22 1.54 -0.17 3.17 -7.23 -0.52 -4.90 120.40 112.52 1x4n s VAL 21 Ca 0.23 -2.16 -0.29 0.00 -1.81 0.00 0.00 61.98 57.95 1x4n s VAL 21 Cb -0.15 -2.02 -0.01 0.00 0.56 0.00 0.00 36.38 34.76 1x4n s VAL 21 CO 0.09 -0.62 1.28 -2.16 -0.31 0.00 0.00 175.10 173.38 1x4n s PRO 22 N -3.69 4.21 0.61 4.82 0.04 -1.26 0.15 135.00 139.88 1x4n s PRO 22 Ca 0.21 1.66 0.29 0.00 0.04 0.00 0.00 61.00 63.20 1x4n s PRO 22 Cb 0.01 -3.78 1.53 0.00 0.04 0.00 0.00 34.50 32.30 1x4n s PRO 22 CO 0.05 -0.74 1.93 0.22 0.04 0.00 0.00 177.00 178.50 1x4n h ASP 23 N 8.33 0.00 0.24 6.66 3.58 -1.86 1.47 116.42 134.85 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 1.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.16 1x4n h ASP 23 CO 0.97 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.94 1x4n n GLY 24 N -1.42 -0.92 0.03 -0.78 0.00 -1.26 -3.54 105.19 97.31 1x4n n GLY 24 Ca 0.05 -0.13 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 -1.16 0.00 -0.28 1.61 2.81 0.47 -4.77 117.12 115.80 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 0.14 -0.87 0.08 0.00 -0.71 0.00 0.00 33.22 31.86 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 0.18 -1.12 2.03 3.04 -0.62 1.71 116.25 121.47 1x4n h VAL 26 Ca 0.00 0.00 0.32 0.00 -1.01 0.00 0.00 66.70 66.01 1x4n h VAL 26 Cb 0.77 0.18 -0.05 0.00 -2.01 0.00 0.00 31.29 30.19 1x4n h VAL 26 CO 0.00 0.00 0.81 1.23 -1.01 0.00 0.00 177.57 178.60 1x4n h GLY 27 N -0.02 0.07 0.57 3.17 0.00 -1.82 0.93 103.07 105.96 1x4n h GLY 27 Ca 0.36 -0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.66 1x4n h GLY 27 CO -0.81 -0.01 -1.47 0.33 0.00 0.00 0.00 176.54 174.57 1x4n n PHE 28 N -4.22 0.56 -0.22 5.60 7.35 0.54 -4.12 117.46 122.95 1x4n n PHE 28 Ca 0.24 0.17 -0.09 0.00 -0.76 0.00 0.00 57.45 57.01 1x4n n PHE 28 Cb 1.17 -0.79 0.03 0.00 0.35 0.00 0.00 39.48 40.24 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 0.57 -2.13 2.04 0.55 -3.17 117.51 116.63 1x4n h ILE 29 Ca -0.03 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 64.74 1x4n h ILE 29 Cb 1.09 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1x4n h ILE 29 CO 0.00 0.39 -0.38 0.40 0.00 0.00 0.00 178.15 178.57 1x4n h ILE 30 N 0.95 0.00 -0.78 -0.67 5.03 -1.42 -0.55 117.51 120.08 1x4n h ILE 30 Ca 0.18 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.92 1x4n h ILE 30 Cb 0.48 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.27 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 -1.47 0.89 3.30 5.37 0.00 -1.20 0.12 105.19 112.20 1x4n n GLY 31 Ca -0.11 -0.68 -0.18 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.38 -1.01 0.00 1.61 1.74 -1.26 -2.84 116.66 114.52 1x4n n ARG 32 Ca 0.00 1.05 0.00 0.00 -0.77 0.00 0.00 57.85 58.13 1x4n n ARG 32 Cb 0.13 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1x4n n ARG 32 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x4n n GLY 33 N 0.61 3.13 0.00 -0.13 0.00 -1.26 -4.47 105.19 103.07 1x4n n GLY 33 Ca -0.04 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 0.60 0.09 -0.02 0.00 -1.19 -5.05 105.19 99.62 1x4n n GLY 34 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.66 0.07 1.61 2.13 0.08 -2.89 120.64 122.30 1x4n n GLU 35 Ca 0.00 0.13 -0.07 0.00 0.66 0.00 0.00 57.16 57.89 1x4n n GLU 35 Cb 0.00 -1.65 0.08 0.00 0.27 0.00 0.00 31.44 30.14 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 0.29 0.08 5.31 4.15 0.81 -3.00 115.11 122.74 1x4n h GLN 36 Ca -0.41 -0.22 -0.27 0.00 0.77 0.00 0.00 58.65 58.53 1x4n h GLN 36 Cb 2.10 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 29.81 1x4n h GLN 36 CO 0.05 0.85 -1.32 0.97 -1.93 0.00 0.00 178.83 177.45 1x4n h ILE 37 N 0.20 1.37 0.05 2.39 6.09 0.01 -3.32 117.51 124.31 1x4n h ILE 37 Ca -0.02 -3.04 0.02 0.00 -1.37 0.00 0.00 64.86 60.46 1x4n h ILE 37 Cb 1.20 2.80 -0.05 0.00 0.47 0.00 0.00 36.82 41.24 1x4n h ILE 37 CO 0.11 0.85 -0.42 -1.28 -3.07 0.00 0.00 178.15 174.33 1x4n h SER 38 N 0.04 -1.27 -0.95 2.19 0.87 -1.46 0.55 113.55 113.53 1x4n h SER 38 Ca -0.15 0.15 0.25 0.00 -1.23 0.00 0.00 61.79 60.80 1x4n h SER 38 Cb 1.94 0.49 -0.06 0.00 -0.44 0.00 0.00 62.40 64.32 1x4n h SER 38 CO 0.16 -0.47 0.65 -0.09 -0.53 0.00 0.00 176.83 176.54 1x4n h ARG 39 N -0.61 0.22 -0.06 2.24 2.43 -1.66 0.77 114.38 117.71 1x4n h ARG 39 Ca 0.03 -0.01 -0.24 0.00 -0.81 0.00 0.00 59.98 58.96 1x4n h ARG 39 Cb 0.67 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 30.18 1x4n h ARG 39 CO -0.28 0.15 -0.90 0.82 -1.51 0.00 0.00 179.97 178.24 1x4n h ILE 40 N 0.23 1.31 -0.18 1.20 2.04 -0.92 0.48 117.51 121.67 1x4n h ILE 40 Ca 0.49 -2.17 -0.12 0.00 1.00 0.00 0.00 64.86 64.05 1x4n h ILE 40 Cb 1.52 2.22 -0.01 0.00 -0.74 0.00 0.00 36.82 39.81 1x4n h ILE 40 CO -0.13 0.67 -0.41 1.56 0.00 0.00 0.00 178.15 179.84 1x4n h GLN 41 N 0.41 0.41 0.15 2.37 4.20 0.51 -2.08 115.11 121.09 1x4n h GLN 41 Ca -0.08 -0.21 -0.31 0.00 0.06 0.00 0.00 58.65 58.11 1x4n h GLN 41 Cb 1.53 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.32 1x4n h GLN 41 CO 0.17 0.76 -1.45 1.96 -0.67 0.00 0.00 178.83 179.60 1x4n h GLN 42 N 0.34 0.33 0.43 1.46 1.08 0.26 0.48 115.11 119.48 1x4n h GLN 42 Ca 0.03 -0.56 -0.01 0.00 -1.45 0.00 0.00 58.65 56.66 1x4n h GLN 42 Cb 0.87 0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 28.50 1x4n h GLN 42 CO 0.07 1.23 -0.29 0.93 -0.95 0.00 0.00 178.83 179.82 1x4n h GLU 43 N 0.09 -0.67 0.00 1.46 4.39 0.05 -2.88 114.58 117.02 1x4n h GLU 43 Ca -0.22 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1x4n h GLU 43 Cb 2.04 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.84 1x4n h GLU 43 CO 0.20 -0.45 -0.65 0.66 -1.16 0.00 0.00 179.01 177.61 1x4n h SER 44 N -0.70 0.00 -1.37 1.42 4.64 -1.51 -3.48 113.55 112.55 1x4n h SER 44 Ca -0.04 -0.08 -0.24 0.00 -0.47 0.00 0.00 61.79 60.96 1x4n h SER 44 Cb 0.58 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.64 1x4n h SER 44 CO 0.03 0.04 -0.28 0.61 -0.87 0.00 0.00 176.83 176.35 1x4n n GLY 45 N 1.23 0.30 3.73 -0.77 0.00 0.16 -4.63 105.19 105.20 1x4n n GLY 45 Ca 0.02 -0.41 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.52 4.04 -0.24 0.00 2.20 -0.51 -4.44 119.74 117.27 1x4n s LYS 47 Ca 0.31 0.56 -0.02 0.00 -0.36 0.00 0.00 55.97 56.46 1x4n s LYS 47 Cb -0.08 -3.13 0.08 0.00 -1.51 0.00 0.00 37.83 33.19 1x4n s LYS 47 CO 0.22 0.60 0.05 0.42 -0.36 0.00 0.00 175.35 176.28 1x4n s ILE 48 N -1.23 0.74 -0.46 5.43 1.01 -1.26 -2.21 121.20 123.22 1x4n s ILE 48 Ca 0.31 -0.93 -0.11 0.00 0.00 0.00 0.00 60.65 59.92 1x4n s ILE 48 Cb -0.17 -1.34 0.10 0.00 0.01 0.00 0.00 42.46 41.06 1x4n s ILE 48 CO 0.18 -0.38 0.33 -1.10 0.00 0.00 0.00 174.94 173.97 1x4n s GLN 49 N 1.73 2.65 -0.13 2.79 -0.21 0.21 -4.96 119.66 121.75 1x4n s GLN 49 Ca 0.03 -1.58 -0.09 0.00 0.02 0.00 0.00 55.36 53.74 1x4n s GLN 49 Cb -0.17 -3.93 -0.04 0.00 1.00 0.00 0.00 33.01 29.86 1x4n s GLN 49 CO -0.15 -1.08 0.17 0.42 -2.12 0.00 0.00 175.29 172.53 1x4n s ILE 50 N 1.45 5.44 0.81 1.08 1.01 -1.26 -0.75 121.20 128.98 1x4n s ILE 50 Ca 0.04 0.28 -0.11 0.00 0.00 0.00 0.00 60.65 60.87 1x4n s ILE 50 Cb -0.25 -3.45 0.08 0.00 0.01 0.00 0.00 42.46 38.85 1x4n s ILE 50 CO 0.02 0.57 1.10 0.00 0.00 0.00 0.00 174.94 176.63 1x4n s ALA 51 N -0.71 2.03 0.18 9.38 0.00 -1.24 -4.95 121.76 126.45 1x4n s ALA 51 Ca 0.15 0.27 0.03 0.00 0.00 0.00 0.00 51.96 52.41 1x4n s ALA 51 Cb -0.12 -3.29 0.06 0.00 0.00 0.00 0.00 23.12 19.77 1x4n s ALA 51 CO 0.04 -2.00 1.43 -1.00 0.00 0.00 0.00 175.76 174.22 1x4n h PRO 52 N -1.30 0.19 -3.61 0.00 0.13 -1.98 -3.46 132.00 121.97 1x4n h PRO 52 Ca -0.44 -0.19 -0.11 0.00 -0.87 0.00 0.00 66.00 64.39 1x4n h PRO 52 Cb 1.24 0.05 -0.17 0.00 0.13 0.00 0.00 31.00 32.26 1x4n h PRO 52 CO 0.50 0.90 -0.40 0.16 -0.23 0.00 0.00 178.00 178.93 1x4n s ASP 53 N -6.91 0.06 -0.01 1.44 -4.77 -1.26 -5.10 116.67 100.11 1x4n s ASP 53 Ca -0.03 -0.42 -0.01 0.00 -3.30 0.00 0.00 52.55 48.79 1x4n s ASP 53 Cb 0.11 0.29 -0.00 0.00 -1.09 0.00 0.00 42.92 42.23 1x4n s ASP 53 CO 0.82 -0.58 -0.02 -1.54 0.70 0.00 0.00 175.17 174.54 1x4n n SER 54 N 0.58 0.18 -2.86 2.11 3.41 -1.26 -5.00 113.62 110.77 1x4n n SER 54 Ca -0.18 0.18 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 1x4n n SER 54 Cb 0.59 -0.53 -0.01 0.00 -0.26 0.00 0.00 64.21 64.00 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 1.64 -2.86 0.00 5.00 0.00 -1.26 -4.63 105.19 103.08 1x4n n GLY 55 Ca -0.01 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 1.36 2.97 3.61 -0.02 0.00 -1.26 -5.09 105.19 106.76 1x4n n GLY 56 Ca -0.10 -0.58 -0.27 0.00 0.00 0.00 0.00 46.02 45.07 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 3.12 0.31 0.99 2.01 -1.26 -5.02 118.68 118.82 1x4n s LEU 57 Ca 0.00 -0.50 0.16 0.00 0.01 0.00 0.00 54.13 53.79 1x4n s LEU 57 Cb 0.00 -1.78 0.39 0.00 0.01 0.00 0.00 46.19 44.81 1x4n s LEU 57 CO 0.00 0.10 1.60 1.55 1.01 0.00 0.00 176.35 180.60 1x4n h PRO 58 N 2.81 0.00 -5.73 1.29 0.13 -1.98 -3.44 132.00 125.08 1x4n h PRO 58 Ca -0.47 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.06 1x4n h PRO 58 Cb 1.20 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 1x4n h PRO 58 CO 0.56 0.50 -0.27 -1.21 -0.23 0.00 0.00 178.00 177.35 1x4n s GLU 59 N -3.35 4.05 -0.19 0.86 2.02 -1.26 -2.65 118.70 118.19 1x4n s GLU 59 Ca 0.01 0.24 -0.21 0.00 0.02 0.00 0.00 54.97 55.02 1x4n s GLU 59 Cb 0.10 -3.33 -0.02 0.00 0.10 0.00 0.00 34.13 30.98 1x4n s GLU 59 CO 0.72 0.45 0.65 0.50 0.02 0.00 0.00 175.26 177.61 1x4n s ARG 60 N -0.23 4.23 0.25 1.61 6.06 0.39 -4.73 118.95 126.53 1x4n s ARG 60 Ca 0.20 0.67 -0.30 0.00 -2.50 0.00 0.00 55.73 53.80 1x4n s ARG 60 Cb -0.14 -3.57 -0.09 0.00 0.06 0.00 0.00 34.95 31.20 1x4n s ARG 60 CO 0.08 -0.23 1.16 0.45 -2.50 0.00 0.00 175.30 174.26 1x4n s SER 61 N 1.17 7.13 -0.16 -2.12 0.15 -1.26 -1.44 113.70 117.17 1x4n s SER 61 Ca 0.30 2.31 -0.01 0.00 0.70 0.00 0.00 55.95 59.26 1x4n s SER 61 Cb -0.16 -2.62 0.04 0.00 -1.71 0.00 0.00 66.02 61.57 1x4n s SER 61 CO 0.11 -0.28 -0.05 0.00 1.20 0.00 0.00 173.24 174.22 1x4n s MET 63 N 1.65 3.99 0.08 0.00 -1.94 0.08 -1.71 119.30 121.44 1x4n s MET 63 Ca 0.01 0.81 -0.03 0.00 -1.71 0.00 0.00 55.69 54.77 1x4n s MET 63 Cb -0.15 -3.74 -0.05 0.00 2.01 0.00 0.00 34.83 32.90 1x4n s MET 63 CO -0.08 -0.82 0.28 -0.51 -0.01 0.00 0.00 175.02 173.89 1x4n s LEU 64 N 3.34 4.33 -0.08 -0.03 1.43 0.13 -0.62 118.68 127.19 1x4n s LEU 64 Ca 0.39 0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 53.90 1x4n s LEU 64 Cb -0.13 -3.02 0.04 0.00 0.03 0.00 0.00 46.19 43.11 1x4n s LEU 64 CO 0.15 0.15 0.17 -0.89 0.23 0.00 0.00 176.35 176.15 1x4n s THR 65 N -1.52 -0.09 -5.00 5.49 2.01 -0.94 -2.07 115.64 113.53 1x4n s THR 65 Ca 0.35 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.55 1x4n s THR 65 Cb -0.13 -0.28 0.00 0.00 0.01 0.00 0.00 72.50 72.10 1x4n s THR 65 CO 0.24 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.86 1x4n n GLY 66 N 4.39 0.76 3.53 4.40 0.00 -1.07 -1.42 105.19 115.79 1x4n n GLY 66 Ca -0.23 -1.82 -0.31 0.00 0.00 0.00 0.00 46.02 43.66 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 -2.81 114.28 119.63 1x4n n THR 67 Ca 0.00 -0.16 -0.12 0.00 -2.27 0.00 0.00 64.05 61.50 1x4n n THR 67 Cb 0.00 -0.87 -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 -1.99 0.41 0.00 -0.78 0.13 -1.95 -1.65 132.00 126.18 1x4n h PRO 68 Ca -0.48 -0.40 -0.04 0.00 -0.87 0.00 0.00 66.00 64.21 1x4n h PRO 68 Cb 1.29 0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.52 1x4n h PRO 68 CO 0.41 1.06 -0.21 0.93 -0.23 0.00 0.00 178.00 179.95 1x4n h GLU 69 N 0.25 0.00 0.07 0.86 5.08 -1.99 -2.49 114.58 116.37 1x4n h GLU 69 Ca -0.06 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.01 1x4n h GLU 69 Cb 1.48 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.71 1x4n h GLU 69 CO 0.15 0.21 -1.50 0.77 -1.00 0.00 0.00 179.01 177.64 1x4n h SER 70 N 0.00 0.24 -0.11 1.42 0.02 -1.79 -2.82 113.55 110.50 1x4n h SER 70 Ca -0.00 -0.35 -0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1x4n h SER 70 Cb 0.69 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.15 1x4n h SER 70 CO 0.03 1.29 0.05 0.58 -1.14 0.00 0.00 176.83 177.65 1x4n h VAL 71 N 0.04 1.10 0.21 2.27 2.07 -1.03 -0.97 116.25 119.93 1x4n h VAL 71 Ca -0.22 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1x4n h VAL 71 Cb 1.97 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1x4n h VAL 71 CO 0.13 0.09 -0.10 1.56 0.02 0.00 0.00 177.57 179.27 1x4n h GLN 72 N 0.06 -0.27 -0.53 1.57 4.20 -1.58 -1.06 115.11 117.51 1x4n h GLN 72 Ca 0.04 0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.85 1x4n h GLN 72 Cb 0.09 0.06 -0.10 0.00 0.30 0.00 0.00 27.48 27.83 1x4n h GLN 72 CO -0.01 -0.03 -0.42 0.77 -0.67 0.00 0.00 178.83 178.47 1x4n h SER 73 N -0.48 -1.44 -0.21 1.46 0.02 -1.42 0.28 113.55 111.77 1x4n h SER 73 Ca -0.03 0.23 0.05 0.00 -0.84 0.00 0.00 61.79 61.20 1x4n h SER 73 Cb 0.36 0.65 -0.05 0.00 0.14 0.00 0.00 62.40 63.51 1x4n h SER 73 CO 0.05 -0.34 -0.09 0.00 -1.14 0.00 0.00 176.83 175.30 1x4n h ALA 74 N 0.60 0.08 -0.52 3.77 0.00 -1.13 -1.75 119.26 120.30 1x4n h ALA 74 Ca 0.17 0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.26 1x4n h ALA 74 Cb 0.57 0.23 -0.11 0.00 0.00 0.00 0.00 17.79 18.48 1x4n h ALA 74 CO -0.65 -0.52 -0.30 0.87 0.00 0.00 0.00 179.25 178.65 1x4n h LYS 75 N -0.07 -0.16 -0.66 0.00 1.57 0.46 0.55 116.57 118.26 1x4n h LYS 75 Ca 0.11 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 59.04 1x4n h LYS 75 Cb 0.23 0.04 -0.11 0.00 0.08 0.00 0.00 32.23 32.47 1x4n h LYS 75 CO -0.25 -0.11 0.07 0.00 -0.57 0.00 0.00 179.45 178.59 1x4n h ARG 76 N -0.17 0.17 -0.22 3.15 2.47 0.26 0.65 114.38 120.69 1x4n h ARG 76 Ca 0.22 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.92 1x4n h ARG 76 Cb 0.53 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.80 1x4n h ARG 76 CO -0.62 0.11 0.10 -0.07 0.56 0.00 0.00 179.97 180.06 1x4n h LEU 77 N 0.18 0.30 0.14 3.04 3.38 0.12 -0.44 115.31 122.02 1x4n h LEU 77 Ca 0.36 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1x4n h LEU 77 Cb 0.59 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1x4n h LEU 77 CO -0.52 0.35 -0.10 -0.07 0.09 0.00 0.00 178.44 178.19 1x4n h LEU 78 N 0.23 -0.27 -0.97 1.67 3.38 0.21 -2.42 115.31 117.14 1x4n h LEU 78 Ca 0.08 0.02 0.26 0.00 0.09 0.00 0.00 57.88 58.32 1x4n h LEU 78 Cb 0.13 0.08 -0.18 0.00 0.09 0.00 0.00 40.66 40.78 1x4n h LEU 78 CO -0.01 -0.15 0.01 -0.78 0.09 0.00 0.00 178.44 177.61 1x4n h ASP 79 N -0.23 -0.49 -0.61 -0.43 1.82 0.17 0.37 116.42 117.01 1x4n h ASP 79 Ca -0.02 0.27 0.08 0.00 -0.39 0.00 0.00 57.03 56.97 1x4n h ASP 79 Cb 0.19 0.48 -0.10 0.00 0.68 0.00 0.00 39.33 40.58 1x4n h ASP 79 CO 0.01 -0.34 -0.51 -0.61 -1.61 0.00 0.00 179.24 176.19 1x4n h GLN 80 N 0.02 -0.23 -0.66 0.28 -0.00 -0.66 0.50 115.11 114.37 1x4n h GLN 80 Ca 0.58 0.02 0.06 0.00 -0.00 0.00 0.00 58.65 59.30 1x4n h GLN 80 Cb 1.16 0.05 -0.08 0.00 0.00 0.00 0.00 27.48 28.61 1x4n h GLN 80 CO -0.90 -0.15 -0.43 0.82 0.00 0.00 0.00 178.83 178.16 1x4n h ILE 81 N -0.24 0.00 -0.37 2.39 2.04 0.21 1.54 117.51 123.07 1x4n h ILE 81 Ca 0.15 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.06 1x4n h ILE 81 Cb 0.55 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.55 1x4n h ILE 81 CO -0.72 0.00 -0.51 0.58 0.00 0.00 0.00 178.15 177.50 1x4n h VAL 82 N -0.06 0.04 -0.13 1.67 2.07 -1.08 0.89 116.25 119.64 1x4n h VAL 82 Ca 0.11 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.67 1x4n h VAL 82 Cb 0.33 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.08 1x4n h VAL 82 CO -0.65 0.00 -0.35 -0.08 0.02 0.00 0.00 177.57 176.51 1x4n h GLU 83 N -0.40 -0.41 -0.16 1.57 4.81 0.12 0.57 114.58 120.69 1x4n h GLU 83 Ca 0.09 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.39 1x4n h GLU 83 Cb 0.61 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 1x4n h GLU 83 CO -0.57 -0.27 0.22 0.87 -0.73 0.00 0.00 179.01 178.53 1x4n h LYS 84 N -0.42 0.00 -1.72 1.92 1.79 0.33 -1.44 116.57 117.03 1x4n h LYS 84 Ca 0.09 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.97 1x4n h LYS 84 Cb 0.57 0.00 -0.42 0.00 -1.58 0.00 0.00 32.23 30.80 1x4n h LYS 84 CO -0.37 0.00 -0.69 0.41 -1.08 0.00 0.00 179.45 177.72 1x4n n GLY 85 N -1.35 5.91 3.08 3.86 0.00 0.30 -4.97 105.19 112.01 1x4n n GLY 85 Ca 0.01 -2.77 -0.34 0.00 0.00 0.00 0.00 46.02 42.91 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 -3.53 1.97 -0.09 1.61 1.81 0.16 -4.79 118.95 116.10 1x4n s ARG 86 Ca 0.48 -2.03 -0.32 0.00 -1.72 0.00 0.00 55.73 52.15 1x4n s ARG 86 Cb 0.37 -3.50 0.12 0.00 -0.45 0.00 0.00 34.95 31.49 1x4n s ARG 86 CO -0.18 -1.06 1.09 -1.54 -0.68 0.00 0.00 175.30 172.93 1x4n s SER 87 N 1.23 -0.21 0.00 0.23 1.04 -1.26 -5.04 113.70 109.68 1x4n s SER 87 Ca 0.11 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1x4n s SER 87 Cb -0.22 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.15 1x4n s SER 87 CO -0.05 -0.42 0.15 0.61 0.98 0.00 0.00 173.24 174.52 1x4n n GLY 88 N -0.20 -1.31 3.82 7.32 0.00 -1.26 -4.87 105.19 108.69 1x4n n GLY 88 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.30 2.96 -0.09 1.61 0.04 -1.26 -4.66 135.00 133.29 1x4n s PRO 89 Ca 0.00 0.96 -0.07 0.00 0.04 0.00 0.00 61.00 61.93 1x4n s PRO 89 Cb 0.00 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.57 1x4n s PRO 89 CO 0.00 -1.09 0.13 0.43 0.04 0.00 0.00 177.00 176.52 1x4n n SER 90 N -3.10 -3.71 -3.17 6.66 7.64 -1.26 -5.01 113.62 111.67 1x4n n SER 90 Ca 0.08 1.38 -0.19 0.00 1.01 0.00 0.00 58.87 61.15 1x4n n SER 90 Cb 0.53 -4.31 -0.06 0.00 -1.01 0.00 0.00 64.21 59.36 1x4n n SER 90 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x4n n SER 91 N 1.93 -1.49 0.00 6.43 2.88 -1.26 -4.82 113.62 117.29 1x4n n SER 91 Ca -0.22 -2.57 0.00 0.00 -1.33 0.00 0.00 58.87 54.75 1x4n n SER 91 Cb 0.34 0.24 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 1x4n n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42