#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wf0 s SER 2 N 0.00 -0.68 -0.26 1.61 0.01 -1.26 -5.14 113.70 107.98 1wf0 s SER 2 Ca 0.00 1.23 -0.04 0.00 1.31 0.00 0.00 55.95 58.45 1wf0 s SER 2 Cb 0.00 1.22 0.09 0.00 0.21 0.00 0.00 66.02 67.54 1wf0 s SER 2 CO 0.00 -0.29 0.14 -0.44 0.41 0.00 0.00 173.24 173.06 1wf0 s SER 3 N 0.09 3.04 0.00 2.44 0.01 -1.26 -4.95 113.70 113.07 1wf0 s SER 3 Ca -0.01 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 56.20 1wf0 s SER 3 Cb -0.04 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 65.95 1wf0 s SER 3 CO 0.01 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 173.86 1wf0 n GLY 4 N 5.26 -0.33 3.59 3.44 0.00 -1.26 -5.09 105.19 110.81 1wf0 n GLY 4 Ca -0.06 0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1wf0 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wf0 s SER 5 N 0.00 6.19 -0.29 1.61 1.04 -1.26 -4.80 113.70 116.19 1wf0 s SER 5 Ca 0.00 0.72 0.19 0.00 0.48 0.00 0.00 55.95 57.35 1wf0 s SER 5 Cb 0.00 -2.54 0.47 0.00 0.10 0.00 0.00 66.02 64.05 1wf0 s SER 5 CO 0.00 -1.57 1.25 -1.20 0.98 0.00 0.00 173.24 172.69 1wf0 n SER 6 N 9.34 0.53 -4.57 7.02 7.64 -1.26 -4.77 113.62 127.54 1wf0 n SER 6 Ca 0.16 -2.12 -0.27 0.00 1.01 0.00 0.00 58.87 57.65 1wf0 n SER 6 Cb 0.48 -0.08 -0.09 0.00 -1.01 0.00 0.00 64.21 63.51 1wf0 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wf0 s GLY 7 N -2.87 1.73 0.06 0.23 0.00 -1.26 -1.26 107.32 103.94 1wf0 s GLY 7 Ca 0.21 -1.49 0.02 0.00 0.00 0.00 0.00 44.72 43.47 1wf0 s GLY 7 CO -0.07 -1.51 -0.08 -1.34 0.00 0.00 0.00 173.10 170.11 1wf0 s VAL 8 N -1.74 0.61 -0.12 1.40 -7.23 -0.67 -4.30 120.40 108.36 1wf0 s VAL 8 Ca 0.25 -1.33 -0.13 0.00 -1.81 0.00 0.00 61.98 58.96 1wf0 s VAL 8 Cb -0.09 -0.93 -0.05 0.00 0.56 0.00 0.00 36.38 35.87 1wf0 s VAL 8 CO 0.15 -0.51 0.30 -0.36 -0.31 0.00 0.00 175.10 174.36 1wf0 s PHE 9 N -2.01 3.55 -0.79 2.82 0.08 0.54 -2.58 117.98 119.58 1wf0 s PHE 9 Ca -0.03 0.68 0.02 0.00 0.12 0.00 0.00 56.93 57.71 1wf0 s PHE 9 Cb -0.06 -2.27 0.21 0.00 -0.57 0.00 0.00 43.02 40.34 1wf0 s PHE 9 CO -0.01 0.41 0.71 0.28 -0.10 0.00 0.00 175.22 176.51 1wf0 n VAL 10 N 2.91 2.52 -0.30 -0.44 0.31 -1.00 -2.68 118.33 119.66 1wf0 n VAL 10 Ca -0.14 -5.09 0.00 0.00 -0.01 0.00 0.00 64.34 59.10 1wf0 n VAL 10 Cb 0.52 -2.24 0.00 0.00 -0.91 0.00 0.00 33.84 31.21 1wf0 n VAL 10 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wf0 n GLY 11 N 1.86 -2.39 2.07 2.92 0.00 -1.24 -3.40 105.19 105.02 1wf0 n GLY 11 Ca 0.23 -1.42 -0.14 0.00 0.00 0.00 0.00 46.02 44.69 1wf0 n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wf0 n ARG 12 N -0.96 -1.35 0.00 1.61 1.74 -0.64 -4.27 116.66 112.79 1wf0 n ARG 12 Ca 0.00 0.80 0.00 0.00 -0.77 0.00 0.00 57.85 57.88 1wf0 n ARG 12 Cb 0.00 -5.08 0.00 0.00 -1.02 0.00 0.00 32.46 26.36 1wf0 n ARG 12 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wf0 s THR 14 N -0.73 0.10 -0.97 0.00 -4.23 -1.26 -4.71 115.64 103.84 1wf0 s THR 14 Ca 0.00 -1.80 -0.05 0.00 -1.18 0.00 0.00 61.69 58.67 1wf0 s THR 14 Cb 0.00 -1.98 0.10 0.00 1.34 0.00 0.00 72.50 71.96 1wf0 s THR 14 CO 0.00 -0.44 2.52 0.61 -0.54 0.00 0.00 174.62 176.77 1wf0 n GLY 15 N -0.11 4.90 2.06 3.99 0.00 -1.26 -4.19 105.19 110.58 1wf0 n GLY 15 Ca -0.06 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.96 1wf0 n GLY 15 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wf0 n ASP 16 N 1.32 -1.20 -3.68 1.61 -0.08 -1.26 -5.12 116.55 108.14 1wf0 n ASP 16 Ca 0.57 0.46 -0.34 0.00 -1.51 0.00 0.00 54.79 53.97 1wf0 n ASP 16 Cb 0.37 1.28 0.02 0.00 2.34 0.00 0.00 41.12 45.12 1wf0 n ASP 16 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 1wf0 n MET 17 N -3.19 0.00 -5.02 -0.67 2.81 -1.26 -4.97 117.12 104.83 1wf0 n MET 17 Ca 0.00 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.59 1wf0 n MET 17 Cb 0.00 -0.88 -0.15 0.00 -0.71 0.00 0.00 33.22 31.48 1wf0 n MET 17 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1wf0 s THR 18 N -1.77 2.05 0.45 2.03 -4.23 -1.26 -5.00 115.64 107.92 1wf0 s THR 18 Ca 0.45 -1.26 0.37 0.00 -1.18 0.00 0.00 61.69 60.07 1wf0 s THR 18 Cb -0.34 -1.73 0.56 0.00 1.34 0.00 0.00 72.50 72.32 1wf0 s THR 18 CO 0.64 0.43 1.45 -0.62 -0.54 0.00 0.00 174.62 175.98 1wf0 n GLU 19 N 2.03 -0.02 0.18 3.99 1.02 -1.26 0.80 120.64 127.38 1wf0 n GLU 19 Ca -0.17 1.11 -0.14 0.00 -0.02 0.00 0.00 57.16 57.94 1wf0 n GLU 19 Cb 0.52 -2.31 -0.08 0.00 -0.02 0.00 0.00 31.44 29.54 1wf0 n GLU 19 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1wf0 h ASP 20 N 0.00 -0.37 -0.32 1.62 1.82 -1.94 -0.32 116.42 116.91 1wf0 h ASP 20 Ca 0.84 -0.12 0.04 0.00 -0.39 0.00 0.00 57.03 57.40 1wf0 h ASP 20 Cb 2.99 0.10 -0.06 0.00 0.68 0.00 0.00 39.33 43.04 1wf0 h ASP 20 CO -0.27 -0.09 -0.41 -0.33 -1.61 0.00 0.00 179.24 176.53 1wf0 h GLU 21 N -0.66 -0.27 -0.44 0.28 5.08 -0.00 0.32 114.58 118.89 1wf0 h GLU 21 Ca -0.04 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1wf0 h GLU 21 Cb 0.47 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 1wf0 h GLU 21 CO 0.07 -0.18 0.20 -0.07 -1.00 0.00 0.00 179.01 178.04 1wf0 h LEU 22 N -0.28 0.27 -1.68 1.33 3.38 -1.59 0.21 115.31 116.95 1wf0 h LEU 22 Ca 0.06 0.03 0.14 0.00 0.09 0.00 0.00 57.88 58.20 1wf0 h LEU 22 Cb 0.43 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1wf0 h LEU 22 CO -0.45 0.20 0.46 -0.09 0.09 0.00 0.00 178.44 178.65 1wf0 h ARG 23 N 0.40 0.32 0.00 1.13 2.43 -0.00 0.15 114.38 118.81 1wf0 h ARG 23 Ca 0.19 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1wf0 h ARG 23 Cb 0.13 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1wf0 h ARG 23 CO -0.16 0.21 -0.85 1.49 -1.51 0.00 0.00 179.97 179.16 1wf0 h GLU 24 N 0.33 0.00 0.16 0.20 4.57 0.82 -3.25 114.58 117.40 1wf0 h GLU 24 Ca 0.33 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.50 1wf0 h GLU 24 Cb 0.83 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 1wf0 h GLU 24 CO -0.09 0.04 -0.08 0.35 -1.18 0.00 0.00 179.01 178.06 1wf0 h PHE 25 N 0.00 -0.20 0.00 0.92 3.57 0.21 -3.26 116.94 118.18 1wf0 h PHE 25 Ca -0.01 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1wf0 h PHE 25 Cb 1.06 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.87 1wf0 h PHE 25 CO 0.00 -0.12 0.00 1.19 -2.23 0.00 0.00 178.31 177.15 1wf0 n PHE 26 N -4.10 0.00 0.23 0.41 3.72 -0.29 -2.18 117.46 115.25 1wf0 n PHE 26 Ca -0.03 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.50 1wf0 n PHE 26 Cb 0.08 -0.45 0.76 0.00 -0.94 0.00 0.00 39.48 38.93 1wf0 n PHE 26 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1wf0 h SER 27 N 0.00 0.00 0.60 4.37 4.64 -1.59 -0.83 113.55 120.73 1wf0 h SER 27 Ca 0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 1wf0 h SER 27 Cb 0.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1wf0 h SER 27 CO 0.00 0.00 -1.12 0.06 -0.87 0.00 0.00 176.83 174.90 1wf0 h GLN 28 N 0.00 0.27 -0.12 4.77 3.07 -1.63 -3.33 115.11 118.14 1wf0 h GLN 28 Ca 0.04 -0.39 -0.06 0.00 0.09 0.00 0.00 58.65 58.33 1wf0 h GLN 28 Cb 0.20 0.14 -0.00 0.00 0.08 0.00 0.00 27.48 27.90 1wf0 h GLN 28 CO -0.00 1.15 -0.15 1.88 0.09 0.00 0.00 178.83 181.79 1wf0 h TYR 29 N 0.10 0.38 -2.29 0.06 -1.99 -1.39 -3.49 116.97 108.36 1wf0 h TYR 29 Ca -0.10 -0.12 0.04 0.00 2.00 0.00 0.00 58.73 60.55 1wf0 h TYR 29 Cb 1.82 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 40.46 1wf0 h TYR 29 CO 0.05 0.75 0.25 0.41 -0.00 0.00 0.00 178.16 179.62 1wf0 n GLY 30 N 0.29 1.14 3.48 3.88 0.00 -0.52 -5.07 105.19 108.39 1wf0 n GLY 30 Ca -0.07 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 1wf0 n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wf0 n ASP 31 N -1.10 4.64 -4.58 1.61 8.00 -1.26 -4.14 116.55 119.72 1wf0 n ASP 31 Ca -0.03 -2.89 -0.40 0.00 0.71 0.00 0.00 54.79 52.18 1wf0 n ASP 31 Cb 0.32 -1.73 -0.03 0.00 -0.02 0.00 0.00 41.12 39.66 1wf0 n ASP 31 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wf0 s VAL 32 N 4.70 3.16 0.12 2.53 0.11 -1.26 -2.01 120.40 127.74 1wf0 s VAL 32 Ca 0.54 0.14 -0.33 0.00 -2.93 0.00 0.00 61.98 59.40 1wf0 s VAL 32 Cb 0.05 -3.29 -0.13 0.00 -1.53 0.00 0.00 36.38 31.49 1wf0 s VAL 32 CO 0.07 -0.23 1.55 0.24 -3.33 0.00 0.00 175.10 173.39 1wf0 h MET 33 N 16.03 -0.53 -2.76 1.54 2.86 -1.54 -3.47 114.93 127.07 1wf0 h MET 33 Ca -0.32 0.04 0.08 0.00 -2.06 0.00 0.00 59.70 57.44 1wf0 h MET 33 Cb 1.22 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.98 1wf0 h MET 33 CO 1.08 -0.35 0.41 0.34 1.06 0.00 0.00 176.91 179.44 1wf0 s ASP 34 N -4.86 -0.04 -0.20 1.22 -1.08 -1.15 -5.02 116.67 105.54 1wf0 s ASP 34 Ca -0.15 -0.85 -0.04 0.00 -0.52 0.00 0.00 52.55 50.99 1wf0 s ASP 34 Cb 0.07 0.67 0.07 0.00 -1.46 0.00 0.00 42.92 42.27 1wf0 s ASP 34 CO 0.60 -1.32 0.09 -0.69 0.52 0.00 0.00 175.17 174.37 1wf0 s VAL 35 N -2.50 0.08 0.04 1.11 1.01 -1.26 -1.56 120.40 117.32 1wf0 s VAL 35 Ca 0.17 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.77 1wf0 s VAL 35 Cb -0.04 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 1wf0 s VAL 35 CO 0.08 -0.37 0.02 0.12 0.00 0.00 0.00 175.10 174.95 1wf0 s PHE 36 N 2.05 3.08 -0.51 5.22 5.36 -0.13 -4.82 117.98 128.23 1wf0 s PHE 36 Ca 0.03 0.05 -0.04 0.00 -0.96 0.00 0.00 56.93 56.01 1wf0 s PHE 36 Cb -0.16 -1.62 0.13 0.00 -0.34 0.00 0.00 43.02 41.03 1wf0 s PHE 36 CO -0.15 0.48 0.32 0.42 -1.46 0.00 0.00 175.22 174.84 1wf0 s ILE 37 N -1.21 3.64 0.11 3.12 1.01 -1.26 -1.41 121.20 125.19 1wf0 s ILE 37 Ca 0.23 -2.35 -0.31 0.00 0.00 0.00 0.00 60.65 58.22 1wf0 s ILE 37 Cb -0.12 -3.43 -0.08 0.00 0.01 0.00 0.00 42.46 38.85 1wf0 s ILE 37 CO 0.15 -0.78 1.37 -2.16 0.00 0.00 0.00 174.94 173.51 1wf0 s PRO 38 N 0.72 4.33 0.12 2.79 0.04 -1.26 -4.90 135.00 136.84 1wf0 s PRO 38 Ca 0.11 2.03 0.03 0.00 0.04 0.00 0.00 61.00 63.21 1wf0 s PRO 38 Cb -0.22 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.01 1wf0 s PRO 38 CO -0.04 -0.42 0.18 0.15 0.04 0.00 0.00 177.00 176.92 1wf0 s LYS 39 N 1.13 3.15 0.08 4.56 1.02 -1.26 -3.04 119.74 125.38 1wf0 s LYS 39 Ca 0.64 -0.68 -0.31 0.00 0.02 0.00 0.00 55.97 55.64 1wf0 s LYS 39 Cb -0.36 -2.83 -0.07 0.00 -0.52 0.00 0.00 37.83 34.05 1wf0 s LYS 39 CO 0.30 0.53 1.38 -1.25 -0.92 0.00 0.00 175.35 175.40 1wf0 s PRO 40 N -2.89 4.32 -0.08 -1.68 0.04 -1.26 -5.11 135.00 128.33 1wf0 s PRO 40 Ca 0.32 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 63.10 1wf0 s PRO 40 Cb -0.11 -3.34 -0.03 0.00 0.04 0.00 0.00 34.50 31.06 1wf0 s PRO 40 CO 0.25 -0.46 1.18 0.12 0.04 0.00 0.00 177.00 178.13 1wf0 s PHE 41 N 1.43 3.20 -0.57 0.56 2.19 -1.17 -4.99 117.98 118.64 1wf0 s PHE 41 Ca 0.64 1.25 0.04 0.00 0.33 0.00 0.00 56.93 59.19 1wf0 s PHE 41 Cb -0.35 -3.40 0.16 0.00 -1.31 0.00 0.00 43.02 38.12 1wf0 s PHE 41 CO 0.29 -1.19 0.38 1.03 1.83 0.00 0.00 175.22 177.57 1wf0 s ARG 42 N 2.36 1.87 -0.59 10.12 0.52 -1.26 -4.84 118.95 127.12 1wf0 s ARG 42 Ca 0.54 -2.74 0.00 0.00 -0.52 0.00 0.00 55.73 53.01 1wf0 s ARG 42 Cb -0.23 -2.81 0.00 0.00 0.52 0.00 0.00 34.95 32.42 1wf0 s ARG 42 CO 0.20 -1.25 0.00 0.00 0.02 0.00 0.00 175.30 174.27 1wf0 n ALA 43 N 2.61 -0.83 -3.30 2.13 0.00 -1.26 -4.85 120.51 115.01 1wf0 n ALA 43 Ca 0.17 0.06 -0.14 0.00 0.00 0.00 0.00 53.44 53.53 1wf0 n ALA 43 Cb 0.37 -1.05 -0.09 0.00 0.00 0.00 0.00 19.45 18.68 1wf0 n ALA 43 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1wf0 s PHE 44 N -2.30 -0.38 0.22 0.00 -0.12 -1.26 -0.07 117.98 114.08 1wf0 s PHE 44 Ca 0.00 0.82 0.03 0.00 -0.05 0.00 0.00 56.93 57.73 1wf0 s PHE 44 Cb 0.00 0.16 -0.05 0.00 -0.63 0.00 0.00 43.02 42.50 1wf0 s PHE 44 CO 0.00 -0.32 0.01 0.00 -0.05 0.00 0.00 175.22 174.86 1wf0 s ALA 45 N -0.45 1.69 -0.22 1.99 0.00 -1.22 -4.79 121.76 118.76 1wf0 s ALA 45 Ca -0.06 -1.73 -0.04 0.00 0.00 0.00 0.00 51.96 50.12 1wf0 s ALA 45 Cb -0.03 0.57 -0.01 0.00 0.00 0.00 0.00 23.12 23.64 1wf0 s ALA 45 CO 0.03 -0.29 -0.03 0.12 0.00 0.00 0.00 175.76 175.59 1wf0 s PHE 46 N -3.52 2.98 -0.04 0.00 5.36 -0.50 -2.37 117.98 119.88 1wf0 s PHE 46 Ca 0.28 -0.84 0.06 0.00 -0.96 0.00 0.00 56.93 55.47 1wf0 s PHE 46 Cb 0.06 -2.12 -0.02 0.00 -0.34 0.00 0.00 43.02 40.60 1wf0 s PHE 46 CO 0.08 -0.50 -0.20 0.08 -1.46 0.00 0.00 175.22 173.22 1wf0 s VAL 47 N 1.46 2.54 -0.08 3.12 1.01 -1.07 -0.96 120.40 126.42 1wf0 s VAL 47 Ca 0.05 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1wf0 s VAL 47 Cb -0.14 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 1wf0 s VAL 47 CO -0.02 0.58 -0.08 -0.89 0.00 0.00 0.00 175.10 174.70 1wf0 s THR 48 N -0.61 3.63 -0.06 3.92 2.01 -0.60 -1.66 115.64 122.27 1wf0 s THR 48 Ca 0.09 -0.50 0.04 0.00 0.31 0.00 0.00 61.69 61.63 1wf0 s THR 48 Cb -0.11 -2.49 -0.02 0.00 0.01 0.00 0.00 72.50 69.89 1wf0 s THR 48 CO 0.00 0.58 -0.16 -0.36 -0.69 0.00 0.00 174.62 173.99 1wf0 s PHE 49 N -0.57 2.66 -0.03 4.92 0.08 -0.39 -1.45 117.98 123.20 1wf0 s PHE 49 Ca 0.09 -0.32 0.22 0.00 0.12 0.00 0.00 56.93 57.04 1wf0 s PHE 49 Cb -0.12 -1.65 1.22 0.00 -0.57 0.00 0.00 43.02 41.90 1wf0 s PHE 49 CO 0.02 0.06 1.66 0.00 -0.10 0.00 0.00 175.22 176.86 1wf0 h ALA 50 N 5.66 1.06 -3.51 5.36 0.00 -1.72 -3.40 119.26 122.71 1wf0 h ALA 50 Ca -0.41 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.16 1wf0 h ALA 50 Cb 1.16 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 18.62 1wf0 h ALA 50 CO 0.51 -0.06 -0.75 0.34 0.00 0.00 0.00 179.25 179.29 1wf0 s ASP 51 N -4.02 0.42 0.51 0.00 -1.08 -1.26 -5.02 116.67 106.22 1wf0 s ASP 51 Ca -0.02 -0.03 0.22 0.00 -0.52 0.00 0.00 52.55 52.19 1wf0 s ASP 51 Cb 0.06 -0.22 1.34 0.00 -1.46 0.00 0.00 42.92 42.64 1wf0 s ASP 51 CO 0.20 -0.09 2.08 -0.78 0.52 0.00 0.00 175.17 177.11 1wf0 h ASP 52 N 7.18 0.00 -0.22 -0.34 1.82 -1.86 -2.03 116.42 120.97 1wf0 h ASP 52 Ca -0.42 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.17 1wf0 h ASP 52 Cb 1.14 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.13 1wf0 h ASP 52 CO 0.48 0.11 -0.02 1.56 -1.61 0.00 0.00 179.24 179.76 1wf0 h GLN 53 N 0.00 0.52 -0.02 0.28 1.08 -1.95 -0.38 115.11 114.64 1wf0 h GLN 53 Ca -0.00 -0.12 -0.16 0.00 -1.45 0.00 0.00 58.65 56.93 1wf0 h GLN 53 Cb 0.24 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 1wf0 h GLN 53 CO 0.01 0.57 -0.69 0.82 -0.95 0.00 0.00 178.83 178.59 1wf0 h ILE 54 N 0.50 1.45 -0.00 2.54 2.04 -1.77 0.71 117.51 122.98 1wf0 h ILE 54 Ca 0.11 -2.27 -0.10 0.00 1.00 0.00 0.00 64.86 63.60 1wf0 h ILE 54 Cb 0.36 2.21 0.01 0.00 -0.74 0.00 0.00 36.82 38.66 1wf0 h ILE 54 CO 0.01 0.66 -0.40 0.00 0.00 0.00 0.00 178.15 178.42 1wf0 h ALA 55 N 1.20 0.05 -0.04 1.87 0.00 -1.35 -2.95 119.26 118.04 1wf0 h ALA 55 Ca -0.01 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 1wf0 h ALA 55 Cb 1.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1wf0 h ALA 55 CO 0.10 0.20 -0.15 1.96 0.00 0.00 0.00 179.25 181.36 1wf0 h GLN 56 N -0.33 0.18 -0.10 0.00 1.08 -1.13 -2.83 115.11 111.97 1wf0 h GLN 56 Ca -0.05 -0.13 0.03 0.00 -1.45 0.00 0.00 58.65 57.04 1wf0 h GLN 56 Cb 1.14 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.59 1wf0 h GLN 56 CO 0.08 0.76 0.16 1.03 -0.95 0.00 0.00 178.83 179.92 1wf0 h SER 57 N -0.37 0.00 0.77 1.46 0.87 -0.99 0.45 113.55 115.74 1wf0 h SER 57 Ca -0.01 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.30 1wf0 h SER 57 Cb 0.78 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.72 1wf0 h SER 57 CO 0.03 0.00 -1.25 -0.07 -0.53 0.00 0.00 176.83 175.01 1wf0 h LEU 58 N 0.00 0.12 -9.51 2.23 3.38 -1.44 -3.46 115.31 106.64 1wf0 h LEU 58 Ca 0.05 -0.15 -0.60 0.00 0.09 0.00 0.00 57.88 57.26 1wf0 h LEU 58 Cb 0.37 -0.04 0.08 0.00 0.09 0.00 0.00 40.66 41.16 1wf0 h LEU 58 CO -0.00 1.12 0.54 0.00 0.09 0.00 0.00 178.44 180.20 1wf0 n GLY 60 N 2.24 1.05 3.70 0.00 0.00 -0.73 -5.00 105.19 106.44 1wf0 n GLY 60 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1wf0 n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wf0 s GLU 61 N -0.54 4.16 -0.36 1.61 0.41 -0.27 -5.00 118.70 118.72 1wf0 s GLU 61 Ca 0.00 -0.14 -0.21 0.00 -0.41 0.00 0.00 54.97 54.20 1wf0 s GLU 61 Cb 0.00 -3.47 0.01 0.00 -1.78 0.00 0.00 34.13 28.88 1wf0 s GLU 61 CO 0.00 0.17 0.68 -0.51 -0.49 0.00 0.00 175.26 175.12 1wf0 s ASP 62 N 0.69 6.46 0.27 -0.19 1.01 -1.26 -3.85 116.67 119.80 1wf0 s ASP 62 Ca 0.10 0.19 0.08 0.00 0.71 0.00 0.00 52.55 53.64 1wf0 s ASP 62 Cb -0.13 -2.35 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 1wf0 s ASP 62 CO 0.02 -0.65 0.10 -0.76 0.21 0.00 0.00 175.17 174.10 1wf0 s LEU 63 N 2.84 3.48 -0.13 1.23 1.43 -1.11 -4.97 118.68 121.44 1wf0 s LEU 63 Ca 0.27 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.91 1wf0 s LEU 63 Cb -0.14 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.09 1wf0 s LEU 63 CO 0.16 -0.05 -0.21 -0.63 0.23 0.00 0.00 176.35 175.84 1wf0 s ILE 64 N -2.25 2.00 -0.26 -0.59 -1.09 -1.26 -1.22 121.20 116.54 1wf0 s ILE 64 Ca 0.33 -0.95 0.01 0.00 -2.23 0.00 0.00 60.65 57.81 1wf0 s ILE 64 Cb -0.07 -1.77 0.07 0.00 -1.58 0.00 0.00 42.46 39.12 1wf0 s ILE 64 CO 0.22 0.54 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.83 1wf0 s ILE 65 N 0.80 1.46 0.00 2.92 1.01 -0.35 -4.70 121.20 122.34 1wf0 s ILE 65 Ca -0.08 -1.35 0.00 0.00 0.00 0.00 0.00 60.65 59.22 1wf0 s ILE 65 Cb -0.16 -1.84 0.00 0.00 0.01 0.00 0.00 42.46 40.47 1wf0 s ILE 65 CO -0.01 -0.26 0.00 0.29 0.00 0.00 0.00 174.94 174.96 1wf0 n LYS 66 N 4.67 -0.03 0.00 2.79 5.02 -1.26 -2.93 118.16 126.42 1wf0 n LYS 66 Ca -0.08 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1wf0 n LYS 66 Cb 0.44 -2.80 0.00 0.00 -0.02 0.00 0.00 35.03 32.65 1wf0 n LYS 66 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wf0 n GLY 67 N -2.07 2.21 3.89 0.72 0.00 -1.26 -5.11 105.19 103.57 1wf0 n GLY 67 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1wf0 n GLY 67 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1wf0 s ILE 68 N -2.05 4.90 -0.22 -0.61 -5.25 -1.15 -5.04 121.20 111.79 1wf0 s ILE 68 Ca 0.00 0.36 -0.11 0.00 -0.99 0.00 0.00 60.65 59.91 1wf0 s ILE 68 Cb 0.00 -3.73 -0.05 0.00 2.95 0.00 0.00 42.46 41.63 1wf0 s ILE 68 CO 0.00 -0.43 0.18 -0.55 -1.79 0.00 0.00 174.94 172.35 1wf0 s SER 69 N -3.17 6.20 -0.00 4.36 0.15 -1.26 -1.21 113.70 118.77 1wf0 s SER 69 Ca 0.48 0.21 0.06 0.00 0.70 0.00 0.00 55.95 57.40 1wf0 s SER 69 Cb -0.10 -2.11 -0.03 0.00 -1.71 0.00 0.00 66.02 62.06 1wf0 s SER 69 CO 0.31 0.10 -0.19 0.68 1.20 0.00 0.00 173.24 175.33 1wf0 s VAL 70 N 0.79 2.67 -0.25 4.45 -7.23 -0.35 -4.81 120.40 115.66 1wf0 s VAL 70 Ca 0.09 -1.02 -0.08 0.00 -1.81 0.00 0.00 61.98 59.16 1wf0 s VAL 70 Cb -0.13 -2.05 -0.03 0.00 0.56 0.00 0.00 36.38 34.73 1wf0 s VAL 70 CO 0.02 0.49 0.10 -2.28 -0.31 0.00 0.00 175.10 173.12 1wf0 s HIS 71 N -0.77 3.12 -0.13 2.82 2.46 -1.26 -2.76 115.29 118.77 1wf0 s HIS 71 Ca 0.12 -0.27 -0.19 0.00 0.47 0.00 0.00 55.06 55.19 1wf0 s HIS 71 Cb -0.10 -2.26 -0.04 0.00 -0.13 0.00 0.00 32.58 30.04 1wf0 s HIS 71 CO 0.02 -0.29 0.51 0.42 -2.47 0.00 0.00 174.74 172.94 1wf0 s ILE 72 N 1.59 5.15 0.07 0.89 -1.09 -1.25 -3.73 121.20 122.83 1wf0 s ILE 72 Ca 0.06 1.02 -0.05 0.00 -2.23 0.00 0.00 60.65 59.45 1wf0 s ILE 72 Cb -0.15 -3.85 -0.02 0.00 -1.58 0.00 0.00 42.46 36.86 1wf0 s ILE 72 CO 0.05 0.28 0.09 -0.44 -1.23 0.00 0.00 174.94 173.69 1wf0 s SER 73 N 0.76 0.28 -0.37 3.58 0.01 -1.09 -1.78 113.70 115.08 1wf0 s SER 73 Ca 0.27 -0.79 -0.08 0.00 1.31 0.00 0.00 55.95 56.66 1wf0 s SER 73 Cb -0.15 0.27 0.05 0.00 0.21 0.00 0.00 66.02 66.39 1wf0 s SER 73 CO 0.11 -0.65 0.18 0.21 0.41 0.00 0.00 173.24 173.50 1wf0 s ASN 74 N -2.82 5.52 0.01 2.44 2.47 -1.26 -0.34 114.94 120.96 1wf0 s ASN 74 Ca 0.05 -1.23 0.02 0.00 0.42 0.00 0.00 52.86 52.12 1wf0 s ASN 74 Cb 0.06 -1.94 -0.01 0.00 -1.45 0.00 0.00 41.25 37.90 1wf0 s ASN 74 CO -0.10 -0.41 -0.06 0.00 -3.72 0.00 0.00 177.10 172.81 1wf0 s ALA 75 N 1.44 0.49 -0.38 1.71 0.00 -1.26 -5.00 121.76 118.76 1wf0 s ALA 75 Ca 0.01 -0.38 0.01 0.00 0.00 0.00 0.00 51.96 51.60 1wf0 s ALA 75 Cb -0.20 -0.08 0.13 0.00 0.00 0.00 0.00 23.12 22.97 1wf0 s ALA 75 CO 0.04 0.08 0.20 -1.21 0.00 0.00 0.00 175.76 174.87 1wf0 s GLU 76 N -0.51 0.90 -0.15 0.00 0.41 -1.26 -4.82 118.70 113.28 1wf0 s GLU 76 Ca -0.01 -1.56 -0.29 0.00 -0.41 0.00 0.00 54.97 52.69 1wf0 s GLU 76 Cb -0.04 -1.88 -0.03 0.00 -1.78 0.00 0.00 34.13 30.39 1wf0 s GLU 76 CO -0.00 -1.14 1.56 -1.25 -0.49 0.00 0.00 175.26 173.94 1wf0 s PRO 77 N 0.87 4.02 0.43 0.39 0.04 -1.26 -4.97 135.00 134.53 1wf0 s PRO 77 Ca 0.16 1.85 -0.25 0.00 0.04 0.00 0.00 61.00 62.80 1wf0 s PRO 77 Cb -0.23 -3.96 -0.09 0.00 0.04 0.00 0.00 34.50 30.26 1wf0 s PRO 77 CO -0.05 -1.01 1.26 1.63 0.04 0.00 0.00 177.00 178.86 1wf0 n LYS 78 N 7.26 1.87 -3.86 4.56 4.76 -1.26 -4.97 118.16 126.52 1wf0 n LYS 78 Ca 0.17 0.67 -0.29 0.00 -2.87 0.00 0.00 58.31 55.99 1wf0 n LYS 78 Cb 0.44 -2.37 -0.12 0.00 -1.84 0.00 0.00 35.03 31.14 1wf0 n LYS 78 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1wf0 s HIS 79 N -1.21 3.19 0.45 2.13 3.76 -1.26 -5.10 115.29 117.25 1wf0 s HIS 79 Ca 0.62 -3.17 -0.21 0.00 -0.15 0.00 0.00 55.06 52.15 1wf0 s HIS 79 Cb -0.50 -2.54 -0.12 0.00 1.11 0.00 0.00 32.58 30.52 1wf0 s HIS 79 CO 0.57 -0.63 0.49 -1.71 -0.85 0.00 0.00 174.74 172.62 1wf0 n ASN 80 N 2.40 -1.13 -3.89 1.40 5.15 -1.26 -4.95 115.26 112.98 1wf0 n ASN 80 Ca 0.16 0.86 -0.30 0.00 -0.60 0.00 0.00 54.58 54.71 1wf0 n ASN 80 Cb 0.35 -1.10 -0.13 0.00 -0.53 0.00 0.00 39.78 38.37 1wf0 n ASN 80 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1wf0 s SER 81 N -0.99 4.21 0.08 1.20 0.01 -1.26 -4.77 113.70 112.18 1wf0 s SER 81 Ca 0.64 -3.07 0.00 0.00 1.31 0.00 0.00 55.95 54.83 1wf0 s SER 81 Cb -0.57 -1.50 0.00 0.00 0.21 0.00 0.00 66.02 64.16 1wf0 s SER 81 CO 0.58 -0.21 0.00 -3.20 0.41 0.00 0.00 173.24 170.82 1wf0 n ASN 82 N 3.02 -0.69 -4.90 2.44 5.15 -1.26 -5.15 115.26 113.87 1wf0 n ASN 82 Ca 0.08 0.27 -0.28 0.00 -0.60 0.00 0.00 54.58 54.05 1wf0 n ASN 82 Cb 0.33 0.87 -0.02 0.00 -0.53 0.00 0.00 39.78 40.44 1wf0 n ASN 82 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1wf0 s SER 83 N -2.00 6.36 0.00 1.20 1.04 -1.26 -5.01 113.70 114.03 1wf0 s SER 83 Ca 0.00 0.85 0.00 0.00 0.48 0.00 0.00 55.95 57.28 1wf0 s SER 83 Cb 0.00 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.91 1wf0 s SER 83 CO 0.00 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.42 1wf0 n GLY 84 N -1.68 2.12 3.71 7.32 0.00 -1.26 -5.04 105.19 110.35 1wf0 n GLY 84 Ca -0.00 -2.18 -0.42 0.00 0.00 0.00 0.00 46.02 43.42 1wf0 n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wf0 s PRO 85 N -1.72 4.33 -0.38 1.61 0.04 -1.26 -4.98 135.00 132.64 1wf0 s PRO 85 Ca 0.00 2.03 0.01 0.00 0.04 0.00 0.00 61.00 63.08 1wf0 s PRO 85 Cb 0.00 -3.31 0.18 0.00 0.04 0.00 0.00 34.50 31.41 1wf0 s PRO 85 CO 0.00 -0.44 0.81 -1.54 0.04 0.00 0.00 177.00 175.87 1wf0 s SER 86 N 1.23 -1.02 0.38 6.66 1.04 -1.26 -5.17 113.70 115.57 1wf0 s SER 86 Ca 0.64 -0.57 0.08 0.00 0.48 0.00 0.00 55.95 56.57 1wf0 s SER 86 Cb -0.35 1.31 -0.02 0.00 0.10 0.00 0.00 66.02 67.06 1wf0 s SER 86 CO 0.30 -0.11 0.38 -0.94 0.98 0.00 0.00 173.24 173.85 1wf0 s SER 87 N 1.82 5.26 0.00 7.02 1.04 -1.26 -5.25 113.70 122.33 1wf0 s SER 87 Ca 0.16 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1wf0 s SER 87 Cb -0.01 -0.76 0.00 0.00 0.10 0.00 0.00 66.02 65.36 1wf0 s SER 87 CO -0.10 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.18