#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wf0 n SER 2 N 0.00 3.26 -4.35 1.61 2.88 -1.26 -5.04 113.62 110.72 1wf0 n SER 2 Ca 0.00 -3.22 -0.41 0.00 -1.33 0.00 0.00 58.87 53.91 1wf0 n SER 2 Cb 0.00 -0.80 -0.10 0.00 -0.75 0.00 0.00 64.21 62.56 1wf0 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wf0 s SER 3 N -1.32 5.81 0.00 -3.46 0.15 -1.26 -4.99 113.70 108.63 1wf0 s SER 3 Ca 0.26 -1.21 0.00 0.00 0.70 0.00 0.00 55.95 55.70 1wf0 s SER 3 Cb -0.04 -2.05 0.00 0.00 -1.71 0.00 0.00 66.02 62.22 1wf0 s SER 3 CO -0.16 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.40 1wf0 n GLY 4 N 5.02 5.02 2.99 9.45 0.00 -1.26 -5.14 105.19 121.27 1wf0 n GLY 4 Ca -0.11 -0.70 -0.06 0.00 0.00 0.00 0.00 46.02 45.15 1wf0 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wf0 s SER 5 N 1.06 -0.25 -0.56 1.61 0.15 -1.26 -5.02 113.70 109.43 1wf0 s SER 5 Ca 0.00 -0.48 -0.02 0.00 0.70 0.00 0.00 55.95 56.15 1wf0 s SER 5 Cb 0.00 1.37 0.32 0.00 -1.71 0.00 0.00 66.02 66.01 1wf0 s SER 5 CO 0.00 -0.30 2.10 -1.20 1.20 0.00 0.00 173.24 175.04 1wf0 n SER 6 N 5.08 7.18 -4.67 5.45 7.64 -1.26 -4.94 113.62 128.09 1wf0 n SER 6 Ca 0.05 -3.51 -0.23 0.00 1.01 0.00 0.00 58.87 56.19 1wf0 n SER 6 Cb 0.51 -1.04 -0.07 0.00 -1.01 0.00 0.00 64.21 62.60 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 -0.88 1.63 0.04 0.23 0.00 -1.26 -2.82 107.32 104.25 1wf0 s GLY 7 Ca 0.52 -1.61 -0.00 0.00 0.00 0.00 0.00 44.72 43.63 1wf0 s GLY 7 CO -0.08 -1.67 -0.03 -1.34 0.00 0.00 0.00 173.10 169.98 1wf0 s VAL 8 N -2.26 0.22 -0.37 1.40 -7.23 -0.79 -4.50 120.40 106.86 1wf0 s VAL 8 Ca 0.31 -1.50 -0.12 0.00 -1.81 0.00 0.00 61.98 58.86 1wf0 s VAL 8 Cb -0.07 -1.09 0.02 0.00 0.56 0.00 0.00 36.38 35.80 1wf0 s VAL 8 CO 0.20 -0.81 0.23 -0.36 -0.31 0.00 0.00 175.10 174.06 1wf0 s PHE 9 N -3.02 3.23 -1.28 2.82 0.08 0.42 -2.00 117.98 118.24 1wf0 s PHE 9 Ca -0.01 -0.71 -0.15 0.00 0.12 0.00 0.00 56.93 56.18 1wf0 s PHE 9 Cb 0.01 -2.48 0.11 0.00 -0.57 0.00 0.00 43.02 40.09 1wf0 s PHE 9 CO -0.06 -0.57 1.69 0.28 -0.10 0.00 0.00 175.22 176.45 1wf0 n VAL 10 N 5.06 4.04 -0.47 -0.44 0.31 -0.38 -3.80 118.33 122.65 1wf0 n VAL 10 Ca -0.12 -4.24 -0.28 0.00 -0.01 0.00 0.00 64.34 59.69 1wf0 n VAL 10 Cb 0.47 -2.42 0.26 0.00 -0.91 0.00 0.00 33.84 31.25 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 4.63 -3.57 3.89 2.92 0.00 -1.24 -3.23 105.19 108.59 1wf0 n GLY 11 Ca 0.44 -1.35 -0.25 0.00 0.00 0.00 0.00 46.02 44.86 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 -5.27 -3.44 -3.85 1.61 1.74 0.77 -4.15 116.66 104.07 1wf0 n ARG 12 Ca 0.13 0.45 -0.26 0.00 -0.77 0.00 0.00 57.85 57.40 1wf0 n ARG 12 Cb 0.56 -4.61 0.00 0.00 -1.02 0.00 0.00 32.46 27.39 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 -2.80 0.15 0.22 0.00 -4.23 -1.26 -4.40 115.64 103.33 1wf0 s THR 14 Ca 0.34 -0.12 -0.07 0.00 -1.18 0.00 0.00 61.69 60.66 1wf0 s THR 14 Cb -0.03 -0.14 0.18 0.00 1.34 0.00 0.00 72.50 73.85 1wf0 s THR 14 CO 0.22 0.02 1.74 1.23 -0.54 0.00 0.00 174.62 177.28 1wf0 h GLY 15 N 6.04 0.97 -0.90 3.99 0.00 -2.00 -2.29 103.07 108.89 1wf0 h GLY 15 Ca -0.26 -0.13 0.16 0.00 0.00 0.00 0.00 47.33 47.10 1wf0 h GLY 15 CO 0.50 -0.05 -0.29 1.34 0.00 0.00 0.00 176.54 178.05 1wf0 n ASP 16 N -4.99 -0.46 -4.45 0.19 -0.08 -1.26 -4.47 116.55 101.02 1wf0 n ASP 16 Ca 0.11 1.56 -0.33 0.00 -1.51 0.00 0.00 54.79 54.62 1wf0 n ASP 16 Cb 0.33 -0.41 0.12 0.00 2.34 0.00 0.00 41.12 43.50 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 -5.39 -0.26 -4.22 -0.67 2.81 -0.86 -5.03 117.12 103.50 1wf0 n MET 17 Ca 0.12 -0.03 -0.15 0.00 -1.81 0.00 0.00 57.70 55.82 1wf0 n MET 17 Cb 0.40 -1.93 -0.11 0.00 -0.71 0.00 0.00 33.22 30.88 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 -2.39 1.13 0.46 2.03 -4.23 -1.26 -5.00 115.64 106.38 1wf0 s THR 18 Ca 0.59 -1.78 0.26 0.00 -1.18 0.00 0.00 61.69 59.59 1wf0 s THR 18 Cb -0.22 -1.54 0.46 0.00 1.34 0.00 0.00 72.50 72.53 1wf0 s THR 18 CO 0.65 -0.56 1.78 -0.33 -0.54 0.00 0.00 174.62 175.62 1wf0 h GLU 19 N 3.34 0.21 0.11 3.99 3.07 -1.96 0.25 114.58 123.59 1wf0 h GLU 19 Ca -0.38 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.46 1wf0 h GLU 19 Cb 1.19 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.06 1wf0 h GLU 19 CO 0.55 0.14 -0.05 -0.44 -1.40 0.00 0.00 179.01 177.80 1wf0 h ASP 20 N 0.21 -0.13 -0.15 1.42 3.32 -1.95 0.91 116.42 120.05 1wf0 h ASP 20 Ca 0.58 -0.14 0.03 0.00 0.02 0.00 0.00 57.03 57.52 1wf0 h ASP 20 Cb 1.85 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 41.38 1wf0 h ASP 20 CO -0.18 0.07 -0.39 -0.33 -1.72 0.00 0.00 179.24 176.69 1wf0 h GLU 21 N -0.33 -0.36 -0.57 3.56 5.08 -1.35 0.20 114.58 120.82 1wf0 h GLU 21 Ca -0.02 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1wf0 h GLU 21 Cb 0.27 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1wf0 h GLU 21 CO 0.03 -0.24 0.36 -0.07 -1.00 0.00 0.00 179.01 178.08 1wf0 h LEU 22 N -0.38 0.60 -2.01 1.33 3.38 -1.57 0.27 115.31 116.94 1wf0 h LEU 22 Ca 0.03 -0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.13 1wf0 h LEU 22 Cb 0.47 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1wf0 h LEU 22 CO -0.34 0.43 0.34 -0.09 0.09 0.00 0.00 178.44 178.86 1wf0 h ARG 23 N 0.72 0.00 0.00 1.13 2.43 -0.06 0.70 114.38 119.31 1wf0 h ARG 23 Ca 0.22 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.33 1wf0 h ARG 23 Cb -0.02 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1wf0 h ARG 23 CO -0.08 0.00 -1.55 0.39 -1.51 0.00 0.00 179.97 177.22 1wf0 n GLU 24 N -4.34 0.63 0.08 0.20 1.02 0.65 -3.62 120.64 115.25 1wf0 n GLU 24 Ca 0.08 0.02 -0.10 0.00 -0.02 0.00 0.00 57.16 57.14 1wf0 n GLU 24 Cb 0.55 -1.69 -0.07 0.00 -0.02 0.00 0.00 31.44 30.21 1wf0 n GLU 24 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1wf0 h PHE 25 N 0.00 -0.25 0.00 -0.32 3.57 0.17 -3.18 116.94 116.92 1wf0 h PHE 25 Ca -0.08 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1wf0 h PHE 25 Cb 1.23 0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.05 1wf0 h PHE 25 CO 0.00 0.12 0.00 1.19 -2.23 0.00 0.00 178.31 177.39 1wf0 n PHE 26 N -4.96 0.00 0.20 0.41 3.72 -0.25 -2.90 117.46 113.68 1wf0 n PHE 26 Ca -0.07 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.36 1wf0 n PHE 26 Cb 0.25 -0.25 0.41 0.00 -0.94 0.00 0.00 39.48 38.95 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 0.23 4.37 4.64 -1.61 -2.54 113.55 118.64 1wf0 h SER 27 Ca 0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 1wf0 h SER 27 Cb 0.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1wf0 h SER 27 CO 0.00 0.31 -0.78 0.06 -0.87 0.00 0.00 176.83 175.56 1wf0 h GLN 28 N 0.00 0.45 0.19 4.77 3.07 -1.68 -3.31 115.11 118.62 1wf0 h GLN 28 Ca -0.00 -0.39 -0.01 0.00 0.09 0.00 0.00 58.65 58.34 1wf0 h GLN 28 Cb 0.57 0.09 0.00 0.00 0.08 0.00 0.00 27.48 28.22 1wf0 h GLN 28 CO 0.04 1.03 -0.09 1.88 0.09 0.00 0.00 178.83 181.78 1wf0 h TYR 29 N 0.30 -0.24 0.00 0.06 -1.99 -1.67 -3.49 116.97 109.94 1wf0 h TYR 29 Ca -0.04 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.68 1wf0 h TYR 29 Cb 1.37 0.08 0.00 0.00 2.00 0.00 0.00 36.73 40.18 1wf0 h TYR 29 CO 0.05 0.08 0.00 0.41 -0.00 0.00 0.00 178.16 178.70 1wf0 n GLY 30 N -0.31 4.13 2.99 3.88 0.00 -0.99 -5.11 105.19 109.79 1wf0 n GLY 30 Ca -0.09 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 1wf0 n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wf0 s ASP 31 N 1.62 4.60 -0.61 1.61 -1.08 -1.26 -4.55 116.67 116.99 1wf0 s ASP 31 Ca 0.00 -2.60 -0.28 0.00 -0.52 0.00 0.00 52.55 49.15 1wf0 s ASP 31 Cb 0.00 -1.66 0.03 0.00 -1.46 0.00 0.00 42.92 39.83 1wf0 s ASP 31 CO 0.00 -0.31 1.22 0.54 0.52 0.00 0.00 175.17 177.14 1wf0 s VAL 32 N 0.29 3.94 0.20 1.11 0.11 -1.26 -0.23 120.40 124.56 1wf0 s VAL 32 Ca 0.14 0.79 -0.12 0.00 -2.93 0.00 0.00 61.98 59.86 1wf0 s VAL 32 Cb -0.23 -4.76 0.18 0.00 -1.53 0.00 0.00 36.38 30.05 1wf0 s VAL 32 CO -0.04 -1.45 1.66 0.24 -3.33 0.00 0.00 175.10 172.18 1wf0 h MET 33 N 9.71 0.09 -1.83 1.54 2.86 -1.53 -3.46 114.93 122.30 1wf0 h MET 33 Ca -0.26 -0.01 0.26 0.00 -2.06 0.00 0.00 59.70 57.64 1wf0 h MET 33 Cb 1.06 -0.02 -0.10 0.00 0.06 0.00 0.00 31.60 32.59 1wf0 h MET 33 CO 1.21 0.06 0.68 0.34 1.06 0.00 0.00 176.91 180.26 1wf0 s ASP 34 N -5.24 -0.11 -0.12 1.22 -1.08 -1.17 -5.03 116.67 105.14 1wf0 s ASP 34 Ca -0.14 -0.25 -0.03 0.00 -0.52 0.00 0.00 52.55 51.61 1wf0 s ASP 34 Cb 0.18 0.30 0.04 0.00 -1.46 0.00 0.00 42.92 41.99 1wf0 s ASP 34 CO 0.73 -0.56 0.04 -0.69 0.52 0.00 0.00 175.17 175.22 1wf0 s VAL 35 N -2.80 0.20 0.20 1.11 1.01 -1.26 -1.30 120.40 117.57 1wf0 s VAL 35 Ca 0.13 -0.07 0.10 0.00 0.00 0.00 0.00 61.98 62.14 1wf0 s VAL 35 Cb 0.02 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 1wf0 s VAL 35 CO -0.01 -0.02 -0.15 0.12 0.00 0.00 0.00 175.10 175.05 1wf0 s PHE 36 N 2.02 2.50 -0.42 5.22 5.36 -0.38 -4.80 117.98 127.48 1wf0 s PHE 36 Ca 0.03 -0.28 0.03 0.00 -0.96 0.00 0.00 56.93 55.75 1wf0 s PHE 36 Cb -0.14 -1.20 0.11 0.00 -0.34 0.00 0.00 43.02 41.45 1wf0 s PHE 36 CO -0.06 0.54 0.15 0.42 -1.46 0.00 0.00 175.22 174.80 1wf0 s ILE 37 N -1.82 2.50 0.05 3.12 1.01 -1.26 -1.00 121.20 123.80 1wf0 s ILE 37 Ca 0.25 -2.69 -0.31 0.00 0.00 0.00 0.00 60.65 57.90 1wf0 s ILE 37 Cb -0.08 -2.79 -0.07 0.00 0.01 0.00 0.00 42.46 39.53 1wf0 s ILE 37 CO 0.14 -0.68 1.41 -2.16 0.00 0.00 0.00 174.94 173.64 1wf0 s PRO 38 N 0.47 4.30 0.31 2.79 0.04 -1.26 -4.87 135.00 136.78 1wf0 s PRO 38 Ca 0.13 2.03 -0.05 0.00 0.04 0.00 0.00 61.00 63.15 1wf0 s PRO 38 Cb -0.22 -3.45 -0.05 0.00 0.04 0.00 0.00 34.50 30.82 1wf0 s PRO 38 CO -0.05 -0.52 0.58 0.15 0.04 0.00 0.00 177.00 177.20 1wf0 s LYS 39 N 1.89 3.64 0.06 4.56 1.02 -1.26 -3.43 119.74 126.21 1wf0 s LYS 39 Ca 0.65 0.05 -0.31 0.00 0.02 0.00 0.00 55.97 56.38 1wf0 s LYS 39 Cb -0.34 -2.61 -0.07 0.00 -0.52 0.00 0.00 37.83 34.29 1wf0 s LYS 39 CO 0.28 0.17 1.41 -1.25 -0.92 0.00 0.00 175.35 175.04 1wf0 s PRO 40 N -3.65 4.30 -0.38 -1.68 0.04 -1.26 -5.09 135.00 127.28 1wf0 s PRO 40 Ca 0.45 2.03 -0.28 0.00 0.04 0.00 0.00 61.00 63.23 1wf0 s PRO 40 Cb -0.11 -3.42 -0.01 0.00 0.04 0.00 0.00 34.50 31.01 1wf0 s PRO 40 CO 0.31 -0.51 1.63 0.12 0.04 0.00 0.00 177.00 178.59 1wf0 s PHE 41 N 1.78 2.05 -0.68 0.56 5.36 -1.22 -4.94 117.98 120.89 1wf0 s PHE 41 Ca 0.65 0.64 0.04 0.00 -0.96 0.00 0.00 56.93 57.30 1wf0 s PHE 41 Cb -0.34 -4.21 0.17 0.00 -0.34 0.00 0.00 43.02 38.29 1wf0 s PHE 41 CO 0.29 -2.52 0.47 1.03 -1.46 0.00 0.00 175.22 173.02 1wf0 s ARG 42 N 5.40 2.43 -1.04 10.12 0.52 -1.26 -4.82 118.95 130.29 1wf0 s ARG 42 Ca 0.71 -3.23 -0.09 0.00 -0.52 0.00 0.00 55.73 52.60 1wf0 s ARG 42 Cb -0.18 -3.44 0.08 0.00 0.52 0.00 0.00 34.95 31.93 1wf0 s ARG 42 CO 0.33 -1.26 0.33 0.00 0.02 0.00 0.00 175.30 174.72 1wf0 n ALA 43 N 2.16 -1.04 -3.42 2.13 0.00 -1.26 -4.81 120.51 114.27 1wf0 n ALA 43 Ca 0.17 0.01 -0.14 0.00 0.00 0.00 0.00 53.44 53.49 1wf0 n ALA 43 Cb 0.35 -2.02 -0.09 0.00 0.00 0.00 0.00 19.45 17.68 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 -2.72 -0.57 0.22 0.00 -0.71 -1.26 -0.16 117.98 112.78 1wf0 s PHE 44 Ca 0.33 1.38 0.02 0.00 -1.04 0.00 0.00 56.93 57.63 1wf0 s PHE 44 Cb -0.18 0.20 -0.05 0.00 -1.21 0.00 0.00 43.02 41.78 1wf0 s PHE 44 CO 0.41 -0.28 0.03 0.00 -1.34 0.00 0.00 175.22 174.03 1wf0 s ALA 45 N 0.23 1.63 -0.30 1.99 0.00 -1.20 -4.73 121.76 119.37 1wf0 s ALA 45 Ca -0.00 -1.73 -0.05 0.00 0.00 0.00 0.00 51.96 50.17 1wf0 s ALA 45 Cb -0.04 0.66 0.03 0.00 0.00 0.00 0.00 23.12 23.77 1wf0 s ALA 45 CO 0.01 -0.33 0.05 0.12 0.00 0.00 0.00 175.76 175.61 1wf0 s PHE 46 N -3.59 3.17 -0.08 0.00 5.36 -0.17 -1.25 117.98 121.43 1wf0 s PHE 46 Ca 0.29 -1.32 -0.01 0.00 -0.96 0.00 0.00 56.93 54.93 1wf0 s PHE 46 Cb 0.06 -2.20 -0.03 0.00 -0.34 0.00 0.00 43.02 40.51 1wf0 s PHE 46 CO 0.08 -0.68 -0.02 0.08 -1.46 0.00 0.00 175.22 173.22 1wf0 s VAL 47 N 1.41 4.11 -0.08 3.12 1.01 -0.84 -1.25 120.40 127.88 1wf0 s VAL 47 Ca -0.00 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 61.68 1wf0 s VAL 47 Cb -0.18 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 1wf0 s VAL 47 CO 0.01 0.60 -0.14 -0.89 0.00 0.00 0.00 175.10 174.68 1wf0 s THR 48 N -0.83 3.07 -0.03 3.92 2.01 -0.42 -1.89 115.64 121.47 1wf0 s THR 48 Ca 0.13 -0.70 0.04 0.00 0.31 0.00 0.00 61.69 61.47 1wf0 s THR 48 Cb -0.11 -2.23 -0.03 0.00 0.01 0.00 0.00 72.50 70.14 1wf0 s THR 48 CO 0.02 0.57 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.03 1wf0 s PHE 49 N -0.32 2.74 -0.05 4.92 0.08 -1.13 -1.46 117.98 122.76 1wf0 s PHE 49 Ca 0.03 -0.13 0.25 0.00 0.12 0.00 0.00 56.93 57.19 1wf0 s PHE 49 Cb -0.13 -1.61 1.35 0.00 -0.57 0.00 0.00 43.02 42.06 1wf0 s PHE 49 CO 0.03 0.24 1.76 0.00 -0.10 0.00 0.00 175.22 177.14 1wf0 h ALA 50 N 5.12 1.01 -3.84 5.36 0.00 -0.94 -3.41 119.26 122.56 1wf0 h ALA 50 Ca -0.47 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.13 1wf0 h ALA 50 Cb 1.16 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.67 1wf0 h ALA 50 CO 0.51 -0.01 -0.75 -0.51 0.00 0.00 0.00 179.25 178.49 1wf0 s ASP 51 N -4.18 0.50 0.45 0.00 1.01 -1.26 -5.03 116.67 108.16 1wf0 s ASP 51 Ca -0.03 -0.09 0.25 0.00 0.71 0.00 0.00 52.55 53.39 1wf0 s ASP 51 Cb 0.07 -0.05 0.73 0.00 1.01 0.00 0.00 42.92 44.68 1wf0 s ASP 51 CO 0.23 0.04 1.75 -2.24 0.21 0.00 0.00 175.17 175.15 1wf0 h ASP 52 N 5.99 0.00 0.17 0.27 2.03 -1.90 -3.10 116.42 119.89 1wf0 h ASP 52 Ca -0.27 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 55.91 1wf0 h ASP 52 Cb 1.20 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.68 1wf0 h ASP 52 CO 0.50 0.12 -0.44 1.56 -1.03 0.00 0.00 179.24 179.96 1wf0 h GLN 53 N 0.00 0.33 -0.03 4.15 1.08 -1.96 -0.12 115.11 118.57 1wf0 h GLN 53 Ca -0.00 -0.17 -0.19 0.00 -1.45 0.00 0.00 58.65 56.84 1wf0 h GLN 53 Cb 0.85 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.28 1wf0 h GLN 53 CO 0.02 0.71 -0.82 0.82 -0.95 0.00 0.00 178.83 178.61 1wf0 h ILE 54 N 0.27 1.43 0.10 2.54 2.04 -1.96 -2.07 117.51 119.86 1wf0 h ILE 54 Ca 0.02 -2.38 -0.29 0.00 1.00 0.00 0.00 64.86 63.21 1wf0 h ILE 54 Cb 0.88 2.31 0.02 0.00 -0.74 0.00 0.00 36.82 39.30 1wf0 h ILE 54 CO 0.07 0.70 -1.20 0.00 0.00 0.00 0.00 178.15 177.73 1wf0 h ALA 55 N 0.94 0.06 0.25 1.87 0.00 -1.52 -2.95 119.26 117.91 1wf0 h ALA 55 Ca -0.04 -0.77 -0.01 0.00 0.00 0.00 0.00 54.91 54.08 1wf0 h ALA 55 Cb 1.42 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1wf0 h ALA 55 CO 0.13 0.74 -0.12 1.96 0.00 0.00 0.00 179.25 181.96 1wf0 h GLN 56 N 0.25 -0.33 -0.58 0.00 1.08 -1.06 -1.99 115.11 112.49 1wf0 h GLN 56 Ca -0.17 0.02 0.12 0.00 -1.45 0.00 0.00 58.65 57.17 1wf0 h GLN 56 Cb 1.87 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 29.34 1wf0 h GLN 56 CO 0.22 0.01 0.40 0.77 -0.95 0.00 0.00 178.83 179.28 1wf0 h SER 57 N -0.73 0.26 0.01 1.46 0.02 -1.51 -0.49 113.55 112.56 1wf0 h SER 57 Ca -0.03 0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 60.74 1wf0 h SER 57 Cb 0.49 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.99 1wf0 h SER 57 CO 0.06 0.15 -0.63 -0.07 -1.14 0.00 0.00 176.83 175.19 1wf0 h LEU 58 N 0.28 0.69 -8.73 5.07 3.38 -1.43 -3.44 115.31 111.14 1wf0 h LEU 58 Ca 0.27 -0.41 -0.68 0.00 0.09 0.00 0.00 57.88 57.16 1wf0 h LEU 58 Cb 0.70 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1wf0 h LEU 58 CO -0.06 1.15 1.27 0.00 0.09 0.00 0.00 178.44 180.89 1wf0 n GLY 60 N 5.85 0.78 3.83 0.00 0.00 0.08 -4.98 105.19 110.76 1wf0 n GLY 60 Ca 0.37 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.47 3.81 -0.40 1.61 0.41 0.78 -4.95 118.70 119.48 1wf0 s GLU 61 Ca 0.00 0.14 -0.15 0.00 -0.41 0.00 0.00 54.97 54.55 1wf0 s GLU 61 Cb 0.00 -3.25 0.02 0.00 -1.78 0.00 0.00 34.13 29.11 1wf0 s GLU 61 CO 0.00 0.63 0.32 0.16 -0.49 0.00 0.00 175.26 175.88 1wf0 s ASP 62 N -0.74 6.12 0.15 -0.19 -4.77 -1.26 -3.41 116.67 112.57 1wf0 s ASP 62 Ca 0.19 -0.79 0.05 0.00 -3.30 0.00 0.00 52.55 48.70 1wf0 s ASP 62 Cb -0.14 -2.17 -0.04 0.00 -1.09 0.00 0.00 42.92 39.48 1wf0 s ASP 62 CO 0.08 -0.45 0.08 -0.76 0.70 0.00 0.00 175.17 174.82 1wf0 s LEU 63 N 1.78 3.66 -0.13 2.11 1.43 -1.16 -4.97 118.68 121.41 1wf0 s LEU 63 Ca 0.07 -0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 52.97 1wf0 s LEU 63 Cb -0.18 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.71 1wf0 s LEU 63 CO 0.11 0.10 -0.07 -0.63 0.23 0.00 0.00 176.35 176.09 1wf0 s ILE 64 N -1.66 3.65 -0.26 -0.59 -1.09 -1.26 -1.98 121.20 118.01 1wf0 s ILE 64 Ca 0.29 -0.46 0.00 0.00 -2.23 0.00 0.00 60.65 58.26 1wf0 s ILE 64 Cb -0.10 -2.56 0.07 0.00 -1.58 0.00 0.00 42.46 38.30 1wf0 s ILE 64 CO 0.22 0.53 0.01 -0.63 -1.23 0.00 0.00 174.94 173.83 1wf0 s ILE 65 N 0.04 1.36 -0.82 2.92 1.01 -0.17 -4.73 121.20 120.82 1wf0 s ILE 65 Ca -0.01 -1.34 0.00 0.00 0.00 0.00 0.00 60.65 59.30 1wf0 s ILE 65 Cb -0.14 -1.80 0.00 0.00 0.01 0.00 0.00 42.46 40.54 1wf0 s ILE 65 CO 0.03 -0.32 0.00 0.29 0.00 0.00 0.00 174.94 174.94 1wf0 n LYS 66 N 4.70 -1.06 0.00 2.79 5.02 -1.26 -2.17 118.16 126.18 1wf0 n LYS 66 Ca -0.07 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 1wf0 n LYS 66 Cb 0.44 -4.70 0.00 0.00 -0.02 0.00 0.00 35.03 30.74 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 -1.00 1.93 3.85 0.72 0.00 -1.26 -5.09 105.19 104.35 1wf0 n GLY 67 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 3.09 -0.02 -0.61 -5.25 -0.92 -5.02 121.20 110.42 1wf0 s ILE 68 Ca 0.00 0.35 0.06 0.00 -0.99 0.00 0.00 60.65 60.07 1wf0 s ILE 68 Cb 0.00 -3.25 -0.03 0.00 2.95 0.00 0.00 42.46 42.13 1wf0 s ILE 68 CO 0.00 -0.46 -0.19 -0.55 -1.79 0.00 0.00 174.94 171.94 1wf0 s SER 69 N -4.22 3.62 0.00 4.36 0.15 -1.26 -0.99 113.70 115.36 1wf0 s SER 69 Ca 0.60 -0.35 0.02 0.00 0.70 0.00 0.00 55.95 56.92 1wf0 s SER 69 Cb -0.12 -0.61 -0.01 0.00 -1.71 0.00 0.00 66.02 63.57 1wf0 s SER 69 CO 0.52 0.32 -0.06 0.68 1.20 0.00 0.00 173.24 175.90 1wf0 s VAL 70 N -0.73 0.47 -0.26 4.45 -7.23 -0.84 -4.65 120.40 111.61 1wf0 s VAL 70 Ca 0.12 -0.38 -0.09 0.00 -1.81 0.00 0.00 61.98 59.81 1wf0 s VAL 70 Cb -0.10 -0.42 -0.04 0.00 0.56 0.00 0.00 36.38 36.38 1wf0 s VAL 70 CO 0.01 0.04 0.12 -2.28 -0.31 0.00 0.00 175.10 172.68 1wf0 s HIS 71 N -0.34 3.15 -0.19 2.82 2.46 -1.26 -2.98 115.29 118.95 1wf0 s HIS 71 Ca 0.00 -0.16 -0.25 0.00 0.47 0.00 0.00 55.06 55.12 1wf0 s HIS 71 Cb -0.03 -2.29 -0.01 0.00 -0.13 0.00 0.00 32.58 30.12 1wf0 s HIS 71 CO -0.00 -0.24 0.82 0.42 -2.47 0.00 0.00 174.74 173.27 1wf0 s ILE 72 N 1.59 4.87 0.09 0.89 -1.09 -1.22 -3.68 121.20 122.65 1wf0 s ILE 72 Ca 0.06 1.60 -0.08 0.00 -2.23 0.00 0.00 60.65 60.00 1wf0 s ILE 72 Cb -0.15 -4.12 -0.01 0.00 -1.58 0.00 0.00 42.46 36.60 1wf0 s ILE 72 CO 0.06 -0.00 0.17 -0.44 -1.23 0.00 0.00 174.94 173.50 1wf0 s SER 73 N 1.22 0.15 -0.28 3.58 0.01 -1.25 -0.74 113.70 116.39 1wf0 s SER 73 Ca 0.37 -0.71 -0.01 0.00 1.31 0.00 0.00 55.95 56.91 1wf0 s SER 73 Cb -0.16 0.33 0.05 0.00 0.21 0.00 0.00 66.02 66.45 1wf0 s SER 73 CO 0.11 -0.73 -0.03 0.21 0.41 0.00 0.00 173.24 173.20 1wf0 s ASN 74 N -2.88 4.69 0.04 2.44 2.47 -1.26 -0.43 114.94 120.00 1wf0 s ASN 74 Ca 0.06 -1.20 0.03 0.00 0.42 0.00 0.00 52.86 52.18 1wf0 s ASN 74 Cb 0.05 -1.67 -0.02 0.00 -1.45 0.00 0.00 41.25 38.15 1wf0 s ASN 74 CO -0.10 -0.22 -0.10 0.00 -3.72 0.00 0.00 177.10 172.97 1wf0 s ALA 75 N 1.25 0.77 -0.37 1.71 0.00 -1.26 -5.01 121.76 118.83 1wf0 s ALA 75 Ca -0.05 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.18 1wf0 s ALA 75 Cb -0.19 -0.05 0.13 0.00 0.00 0.00 0.00 23.12 23.01 1wf0 s ALA 75 CO -0.02 0.08 0.20 -1.21 0.00 0.00 0.00 175.76 174.80 1wf0 s GLU 76 N -1.30 0.82 0.24 0.00 2.02 -1.26 -4.89 118.70 114.32 1wf0 s GLU 76 Ca -0.05 -1.49 -0.30 0.00 0.02 0.00 0.00 54.97 53.16 1wf0 s GLU 76 Cb -0.08 -1.77 -0.09 0.00 0.10 0.00 0.00 34.13 32.29 1wf0 s GLU 76 CO 0.01 -1.15 1.27 -1.25 0.02 0.00 0.00 175.26 174.16 1wf0 s PRO 77 N 0.95 4.42 0.17 0.39 0.04 -1.26 -4.95 135.00 134.77 1wf0 s PRO 77 Ca 0.16 2.05 -0.33 0.00 0.04 0.00 0.00 61.00 62.92 1wf0 s PRO 77 Cb -0.22 -3.17 -0.14 0.00 0.04 0.00 0.00 34.50 31.01 1wf0 s PRO 77 CO -0.05 -0.17 1.60 1.63 0.04 0.00 0.00 177.00 180.05 1wf0 n LYS 78 N 2.00 2.26 -3.73 4.56 5.02 -1.26 -4.99 118.16 122.03 1wf0 n LYS 78 Ca 0.04 0.81 -0.12 0.00 -2.02 0.00 0.00 58.31 57.02 1wf0 n LYS 78 Cb 0.43 -2.59 -0.11 0.00 -0.02 0.00 0.00 35.03 32.74 1wf0 n LYS 78 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1wf0 s HIS 79 N 0.91 -0.46 -0.08 2.13 3.76 -1.26 -5.15 115.29 115.13 1wf0 s HIS 79 Ca 0.78 1.05 0.02 0.00 -0.15 0.00 0.00 55.06 56.75 1wf0 s HIS 79 Cb -0.65 0.17 0.02 0.00 1.11 0.00 0.00 32.58 33.23 1wf0 s HIS 79 CO 0.37 -0.25 -0.12 1.21 -0.85 0.00 0.00 174.74 175.10 1wf0 s ASN 80 N 0.84 1.98 0.30 1.40 3.84 -1.26 -5.14 114.94 116.90 1wf0 s ASN 80 Ca -0.05 -0.32 -0.03 0.00 0.21 0.00 0.00 52.86 52.66 1wf0 s ASN 80 Cb -0.06 -0.88 -0.04 0.00 -0.55 0.00 0.00 41.25 39.71 1wf0 s ASN 80 CO -0.06 0.00 0.54 -0.94 -2.79 0.00 0.00 177.10 173.85 1wf0 s SER 81 N 0.91 6.39 -0.03 -4.21 1.04 -1.26 -5.10 113.70 111.43 1wf0 s SER 81 Ca -0.10 0.61 -0.29 0.00 0.48 0.00 0.00 55.95 56.66 1wf0 s SER 81 Cb -0.15 -2.10 0.10 0.00 0.10 0.00 0.00 66.02 63.97 1wf0 s SER 81 CO 0.01 -0.22 0.85 0.20 0.98 0.00 0.00 173.24 175.06 1wf0 s ASN 82 N -3.43 -0.43 0.29 7.02 -0.87 -1.26 -5.14 114.94 111.12 1wf0 s ASN 82 Ca 0.42 0.21 0.00 0.00 -1.57 0.00 0.00 52.86 51.92 1wf0 s ASN 82 Cb -0.10 0.41 0.00 0.00 -0.02 0.00 0.00 41.25 41.54 1wf0 s ASN 82 CO 0.32 -0.59 0.00 -0.24 -2.57 0.00 0.00 177.10 174.02 1wf0 n SER 83 N 0.17 -6.12 -4.28 -1.22 2.88 -1.26 -5.07 113.62 98.72 1wf0 n SER 83 Ca -0.12 0.80 -0.15 0.00 -1.33 0.00 0.00 58.87 58.07 1wf0 n SER 83 Cb 0.60 -2.67 -0.10 0.00 -0.75 0.00 0.00 64.21 61.29 1wf0 n SER 83 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wf0 s GLY 84 N -2.36 1.29 0.26 0.46 0.00 -1.26 -5.13 107.32 100.58 1wf0 s GLY 84 Ca 0.00 -1.62 -0.29 0.00 0.00 0.00 0.00 44.72 42.81 1wf0 s GLY 84 CO 0.00 -1.62 1.26 2.56 0.00 0.00 0.00 173.10 175.30 1wf0 s PRO 85 N -3.82 4.43 0.27 2.90 0.04 -1.26 -5.02 135.00 132.54 1wf0 s PRO 85 Ca 0.22 2.05 -0.13 0.00 0.04 0.00 0.00 61.00 63.18 1wf0 s PRO 85 Cb 0.04 -3.15 -0.08 0.00 0.04 0.00 0.00 34.50 31.35 1wf0 s PRO 85 CO 0.04 -0.13 0.65 0.45 0.04 0.00 0.00 177.00 178.06 1wf0 s SER 86 N -0.21 6.74 0.22 6.66 0.15 -1.26 -5.09 113.70 120.91 1wf0 s SER 86 Ca 0.51 1.14 0.10 0.00 0.70 0.00 0.00 55.95 58.41 1wf0 s SER 86 Cb -0.37 -2.32 -0.04 0.00 -1.71 0.00 0.00 66.02 61.58 1wf0 s SER 86 CO 0.44 -0.12 -0.15 -0.55 1.20 0.00 0.00 173.24 174.07 1wf0 s SER 87 N -2.21 3.91 0.00 5.45 0.15 -1.26 -5.37 113.70 114.36 1wf0 s SER 87 Ca 0.50 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 56.37 1wf0 s SER 87 Cb -0.11 -0.51 0.00 0.00 -1.71 0.00 0.00 66.02 63.69 1wf0 s SER 87 CO 0.19 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.32