#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 6.20 -0.08 1.61 0.01 -1.26 -5.02 113.70 115.15 1wf0 s SER 2 Ca 0.00 -0.80 -0.03 0.00 1.31 0.00 0.00 55.95 56.43 1wf0 s SER 2 Cb 0.00 -2.24 0.05 0.00 0.21 0.00 0.00 66.02 64.04 1wf0 s SER 2 CO 0.00 -0.66 0.16 -0.44 0.41 0.00 0.00 173.24 172.70 1wf0 s SER 3 N 2.10 0.75 -0.33 2.44 0.01 -1.26 -5.02 113.70 112.39 1wf0 s SER 3 Ca 0.12 0.33 0.04 0.00 1.31 0.00 0.00 55.95 57.74 1wf0 s SER 3 Cb -0.18 0.26 0.15 0.00 0.21 0.00 0.00 66.02 66.46 1wf0 s SER 3 CO 0.13 -0.24 1.13 0.61 0.41 0.00 0.00 173.24 175.27 1wf0 n GLY 4 N 5.31 -0.13 0.73 3.44 0.00 -1.26 -5.01 105.19 108.27 1wf0 n GLY 4 Ca -0.05 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1wf0 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wf0 n SER 5 N -0.54 0.00 -1.59 1.61 2.88 -1.26 -5.06 113.62 109.65 1wf0 n SER 5 Ca -0.20 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.27 1wf0 n SER 5 Cb 0.70 0.03 0.03 0.00 -0.75 0.00 0.00 64.21 64.22 1wf0 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wf0 n SER 6 N -1.86 -3.13 -4.86 -3.46 7.64 -1.26 -4.42 113.62 102.26 1wf0 n SER 6 Ca 0.00 -0.19 -0.24 0.00 1.01 0.00 0.00 58.87 59.46 1wf0 n SER 6 Cb 0.00 -2.01 -0.04 0.00 -1.01 0.00 0.00 64.21 61.14 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 -3.19 1.52 -0.06 0.23 0.00 -1.26 -0.27 107.32 104.29 1wf0 s GLY 7 Ca 0.15 -1.25 -0.11 0.00 0.00 0.00 0.00 44.72 43.51 1wf0 s GLY 7 CO 0.24 -1.27 0.27 -1.34 0.00 0.00 0.00 173.10 171.00 1wf0 s VAL 8 N -1.92 0.03 -0.42 1.40 -7.23 -0.68 -4.31 120.40 107.27 1wf0 s VAL 8 Ca 0.33 -0.25 -0.19 0.00 -1.81 0.00 0.00 61.98 60.06 1wf0 s VAL 8 Cb -0.09 -0.47 0.02 0.00 0.56 0.00 0.00 36.38 36.39 1wf0 s VAL 8 CO 0.26 -0.13 0.55 -0.36 -0.31 0.00 0.00 175.10 175.10 1wf0 s PHE 9 N -0.52 3.12 -1.22 2.82 0.08 0.11 -2.57 117.98 119.79 1wf0 s PHE 9 Ca -0.06 -0.12 -0.11 0.00 0.12 0.00 0.00 56.93 56.75 1wf0 s PHE 9 Cb -0.04 -3.12 0.19 0.00 -0.57 0.00 0.00 43.02 39.48 1wf0 s PHE 9 CO 0.02 -0.76 1.56 0.28 -0.10 0.00 0.00 175.22 176.22 1wf0 n VAL 10 N 5.64 4.40 -0.73 -0.44 0.31 -0.78 -2.94 118.33 123.79 1wf0 n VAL 10 Ca -0.04 -4.78 -0.31 0.00 -0.01 0.00 0.00 64.34 59.21 1wf0 n VAL 10 Cb 0.48 -2.41 0.27 0.00 -0.91 0.00 0.00 33.84 31.27 1wf0 n VAL 10 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1wf0 s GLY 11 N 1.64 1.50 -1.41 2.92 0.00 -1.21 -3.40 107.32 107.36 1wf0 s GLY 11 Ca 0.40 -0.97 -0.04 0.00 0.00 0.00 0.00 44.72 44.11 1wf0 s GLY 11 CO 0.00 0.01 0.66 0.54 0.00 0.00 0.00 173.10 174.32 1wf0 n ARG 12 N -5.27 -4.37 -2.80 2.90 1.74 -0.09 -3.48 116.66 105.30 1wf0 n ARG 12 Ca 0.14 0.53 -0.11 0.00 -0.77 0.00 0.00 57.85 57.64 1wf0 n ARG 12 Cb 0.60 -5.01 -0.02 0.00 -1.02 0.00 0.00 32.46 27.01 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 -1.49 0.97 0.19 0.00 -4.23 -1.26 -4.42 115.64 105.40 1wf0 s THR 14 Ca 0.02 -1.40 0.13 0.00 -1.18 0.00 0.00 61.69 59.26 1wf0 s THR 14 Cb -0.00 -1.12 0.00 0.00 1.34 0.00 0.00 72.50 72.72 1wf0 s THR 14 CO 0.01 -0.37 1.59 1.23 -0.54 0.00 0.00 174.62 176.54 1wf0 h GLY 15 N 4.04 0.00 0.17 3.99 0.00 -1.98 -3.24 103.07 106.05 1wf0 h GLY 15 Ca -0.39 0.00 0.11 0.00 0.00 0.00 0.00 47.33 47.06 1wf0 h GLY 15 CO 0.45 0.00 0.13 -1.80 0.00 0.00 0.00 176.54 175.32 1wf0 h ASP 16 N 0.00 -0.00 -2.82 0.19 3.58 -2.05 -3.42 116.42 111.90 1wf0 h ASP 16 Ca -0.01 0.11 -0.57 0.00 0.42 0.00 0.00 57.03 56.99 1wf0 h ASP 16 Cb 1.15 0.16 0.19 0.00 1.72 0.00 0.00 39.33 42.55 1wf0 h ASP 16 CO 0.08 0.01 -0.70 0.23 -2.88 0.00 0.00 179.24 175.97 1wf0 n MET 17 N -5.13 0.23 -4.89 0.28 2.81 -1.22 -4.99 117.12 104.20 1wf0 n MET 17 Ca 0.09 0.10 -0.30 0.00 -1.81 0.00 0.00 57.70 55.78 1wf0 n MET 17 Cb 0.33 -1.56 -0.15 0.00 -0.71 0.00 0.00 33.22 31.13 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 -1.92 2.18 0.35 2.03 -4.23 -1.26 -5.01 115.64 107.78 1wf0 s THR 18 Ca 0.61 -1.39 0.18 0.00 -1.18 0.00 0.00 61.69 59.92 1wf0 s THR 18 Cb -0.37 -1.85 0.34 0.00 1.34 0.00 0.00 72.50 71.96 1wf0 s THR 18 CO 0.62 0.36 1.52 -0.62 -0.54 0.00 0.00 174.62 175.96 1wf0 n GLU 19 N 1.75 -0.06 -0.10 3.99 1.02 -1.26 0.14 120.64 126.11 1wf0 n GLU 19 Ca -0.17 1.34 -0.09 0.00 -0.02 0.00 0.00 57.16 58.22 1wf0 n GLU 19 Cb 0.52 -2.38 -0.02 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 0.43 0.04 1.62 3.58 -1.95 0.86 116.42 121.00 1wf0 h ASP 20 Ca 0.79 -0.13 0.01 0.00 0.42 0.00 0.00 57.03 58.12 1wf0 h ASP 20 Cb 2.06 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 42.96 1wf0 h ASP 20 CO -0.76 0.44 -0.37 -0.33 -2.88 0.00 0.00 179.24 175.34 1wf0 h GLU 21 N 0.38 -0.48 -0.52 0.28 4.39 0.80 0.21 114.58 119.65 1wf0 h GLU 21 Ca 0.11 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1wf0 h GLU 21 Cb 0.13 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 1wf0 h GLU 21 CO -0.01 -0.32 0.33 -0.07 -1.16 0.00 0.00 179.01 177.78 1wf0 h LEU 22 N -0.49 0.61 -1.58 1.33 3.38 -1.51 -0.32 115.31 116.73 1wf0 h LEU 22 Ca 0.00 -0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.09 1wf0 h LEU 22 Cb 0.51 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 1wf0 h LEU 22 CO -0.22 0.46 0.51 -0.09 0.09 0.00 0.00 178.44 179.18 1wf0 h ARG 23 N 0.70 0.40 0.00 1.13 2.43 -0.42 0.32 114.38 118.94 1wf0 h ARG 23 Ca 0.19 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1wf0 h ARG 23 Cb -0.06 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1wf0 h ARG 23 CO -0.04 0.26 -0.63 1.49 -1.51 0.00 0.00 179.97 179.55 1wf0 h GLU 24 N 0.41 0.00 0.11 0.20 4.81 0.16 -2.67 114.58 117.60 1wf0 h GLU 24 Ca 0.37 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 59.31 1wf0 h GLU 24 Cb 0.87 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 1wf0 h GLU 24 CO -0.12 0.00 -1.48 0.35 -0.73 0.00 0.00 179.01 177.03 1wf0 h PHE 25 N 0.00 0.42 0.00 0.92 3.04 0.12 -3.33 116.94 118.11 1wf0 h PHE 25 Ca 0.00 -0.31 0.00 0.00 3.98 0.00 0.00 57.97 61.64 1wf0 h PHE 25 Cb 0.84 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.33 1wf0 h PHE 25 CO 0.00 1.34 -0.91 0.74 -2.02 0.00 0.00 178.31 177.46 1wf0 h PHE 26 N 0.06 0.00 -0.03 0.41 0.04 -0.85 -3.33 116.94 113.24 1wf0 h PHE 26 Ca -0.22 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.56 1wf0 h PHE 26 Cb 2.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 40.15 1wf0 h PHE 26 CO 0.06 0.00 0.12 0.77 -0.60 0.00 0.00 178.31 178.66 1wf0 h SER 27 N 0.00 0.00 1.78 2.17 0.02 -1.58 0.29 113.55 116.23 1wf0 h SER 27 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1wf0 h SER 27 Cb 0.93 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.47 1wf0 h SER 27 CO 0.00 0.00 -0.22 0.06 -1.14 0.00 0.00 176.83 175.53 1wf0 h GLN 28 N 0.00 0.00 0.00 3.45 3.07 -1.75 -3.36 115.11 116.52 1wf0 h GLN 28 Ca 0.01 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.65 1wf0 h GLN 28 Cb 0.25 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.80 1wf0 h GLN 28 CO -0.00 0.01 -0.72 1.88 0.09 0.00 0.00 178.83 180.09 1wf0 h TYR 29 N 0.00 0.00 -2.68 0.06 -1.99 -0.67 -3.50 116.97 108.19 1wf0 h TYR 29 Ca -0.00 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.66 1wf0 h TYR 29 Cb 1.01 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.73 1wf0 h TYR 29 CO 0.00 0.82 0.04 0.41 -0.00 0.00 0.00 178.16 179.43 1wf0 n GLY 30 N 1.55 2.03 3.37 3.88 0.00 -0.81 -5.06 105.19 110.15 1wf0 n GLY 30 Ca -0.18 -1.29 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.54 4.30 -4.55 1.61 9.92 -1.26 -4.27 116.55 120.77 1wf0 n ASP 31 Ca -0.02 -2.86 -0.37 0.00 -0.53 0.00 0.00 54.79 51.02 1wf0 n ASP 31 Cb 0.28 -1.69 -0.03 0.00 -0.64 0.00 0.00 41.12 39.03 1wf0 n ASP 31 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1wf0 s VAL 32 N 5.06 3.08 0.16 2.53 0.11 -1.26 -1.18 120.40 128.90 1wf0 s VAL 32 Ca 0.55 0.05 -0.30 0.00 -2.93 0.00 0.00 61.98 59.34 1wf0 s VAL 32 Cb 0.06 -3.22 -0.07 0.00 -1.53 0.00 0.00 36.38 31.62 1wf0 s VAL 32 CO 0.05 -0.21 1.53 0.24 -3.33 0.00 0.00 175.10 173.38 1wf0 h MET 33 N 18.59 -0.02 -2.29 1.54 2.86 -1.73 -3.46 114.93 130.43 1wf0 h MET 33 Ca -0.25 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.56 1wf0 h MET 33 Cb 1.24 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.81 1wf0 h MET 33 CO 1.17 -0.01 0.50 0.34 1.06 0.00 0.00 176.91 179.97 1wf0 s ASP 34 N -5.43 -0.23 -0.08 1.22 2.15 -1.21 -5.00 116.67 108.09 1wf0 s ASP 34 Ca -0.12 -0.27 0.02 0.00 0.43 0.00 0.00 52.55 52.61 1wf0 s ASP 34 Cb 0.11 0.45 0.01 0.00 -0.30 0.00 0.00 42.92 43.19 1wf0 s ASP 34 CO 0.61 -0.79 -0.13 -0.69 -0.17 0.00 0.00 175.17 174.00 1wf0 s VAL 35 N -3.21 1.20 0.14 1.11 1.01 -1.26 -1.65 120.40 117.75 1wf0 s VAL 35 Ca 0.10 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.61 1wf0 s VAL 35 Cb -0.01 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 1wf0 s VAL 35 CO -0.02 0.38 -0.08 0.12 0.00 0.00 0.00 175.10 175.50 1wf0 s PHE 36 N 0.81 1.16 -0.37 5.22 5.36 -1.01 -4.86 117.98 124.29 1wf0 s PHE 36 Ca -0.12 -0.83 0.01 0.00 -0.96 0.00 0.00 56.93 55.04 1wf0 s PHE 36 Cb -0.15 -0.62 0.11 0.00 -0.34 0.00 0.00 43.02 42.02 1wf0 s PHE 36 CO 0.02 -0.01 0.14 0.42 -1.46 0.00 0.00 175.22 174.33 1wf0 s ILE 37 N -3.44 1.45 0.60 3.12 1.01 -1.26 -2.58 121.20 120.10 1wf0 s ILE 37 Ca 0.16 -2.07 -0.17 0.00 0.00 0.00 0.00 60.65 58.57 1wf0 s ILE 37 Cb 0.04 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 1wf0 s ILE 37 CO -0.00 -0.73 1.12 -2.16 0.00 0.00 0.00 174.94 173.16 1wf0 s PRO 38 N 0.97 3.06 0.17 2.79 0.04 -1.26 -4.93 135.00 135.84 1wf0 s PRO 38 Ca 0.13 1.50 0.11 0.00 0.04 0.00 0.00 61.00 62.77 1wf0 s PRO 38 Cb -0.20 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 1wf0 s PRO 38 CO -0.12 -1.06 -0.22 0.15 0.04 0.00 0.00 177.00 175.79 1wf0 s LYS 39 N -3.71 1.60 0.16 4.56 -0.14 -1.26 -3.05 119.74 117.90 1wf0 s LYS 39 Ca 0.70 -1.42 -0.31 0.00 -1.36 0.00 0.00 55.97 53.58 1wf0 s LYS 39 Cb -0.22 -1.93 -0.08 0.00 -1.68 0.00 0.00 37.83 33.92 1wf0 s LYS 39 CO 0.35 0.42 1.33 -1.25 -0.76 0.00 0.00 175.35 175.44 1wf0 s PRO 40 N -2.53 4.36 -0.10 -1.68 0.04 -1.26 -5.12 135.00 128.71 1wf0 s PRO 40 Ca 0.20 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.99 1wf0 s PRO 40 Cb -0.09 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.21 1wf0 s PRO 40 CO 0.10 -0.33 1.08 0.12 0.04 0.00 0.00 177.00 178.01 1wf0 s PHE 41 N 0.55 3.37 -0.51 0.56 2.19 -1.17 -5.00 117.98 117.98 1wf0 s PHE 41 Ca 0.60 1.44 0.03 0.00 0.33 0.00 0.00 56.93 59.33 1wf0 s PHE 41 Cb -0.36 -3.28 0.15 0.00 -1.31 0.00 0.00 43.02 38.22 1wf0 s PHE 41 CO 0.35 -0.65 0.33 1.03 1.83 0.00 0.00 175.22 178.10 1wf0 s ARG 42 N 2.22 1.59 -1.02 10.12 0.52 -1.26 -4.86 118.95 126.26 1wf0 s ARG 42 Ca 0.51 -2.43 -0.12 0.00 -0.52 0.00 0.00 55.73 53.17 1wf0 s ARG 42 Cb -0.20 -2.55 0.12 0.00 0.52 0.00 0.00 34.95 32.83 1wf0 s ARG 42 CO 0.18 -1.23 0.33 0.00 0.02 0.00 0.00 175.30 174.60 1wf0 n ALA 43 N 2.97 -1.10 -3.41 2.13 0.00 -1.26 -4.83 120.51 115.01 1wf0 n ALA 43 Ca 0.15 -0.08 -0.16 0.00 0.00 0.00 0.00 53.44 53.35 1wf0 n ALA 43 Cb 0.37 -1.71 -0.07 0.00 0.00 0.00 0.00 19.45 18.04 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 -2.68 -0.47 0.12 0.00 -0.12 -1.26 -0.71 117.98 112.86 1wf0 s PHE 44 Ca 0.43 0.80 -0.01 0.00 -0.05 0.00 0.00 56.93 58.09 1wf0 s PHE 44 Cb -0.25 0.29 -0.04 0.00 -0.63 0.00 0.00 43.02 42.39 1wf0 s PHE 44 CO 0.52 -0.52 0.06 0.00 -0.05 0.00 0.00 175.22 175.23 1wf0 s ALA 45 N -1.23 0.76 -0.29 1.99 0.00 -1.22 -4.82 121.76 116.95 1wf0 s ALA 45 Ca -0.12 -1.40 -0.05 0.00 0.00 0.00 0.00 51.96 50.39 1wf0 s ALA 45 Cb -0.02 0.78 0.02 0.00 0.00 0.00 0.00 23.12 23.91 1wf0 s ALA 45 CO 0.08 -0.48 0.04 0.12 0.00 0.00 0.00 175.76 175.52 1wf0 s PHE 46 N -4.02 3.17 -0.10 0.00 5.36 -1.07 -1.86 117.98 119.45 1wf0 s PHE 46 Ca 0.21 -1.32 0.00 0.00 -0.96 0.00 0.00 56.93 54.86 1wf0 s PHE 46 Cb 0.07 -2.19 -0.02 0.00 -0.34 0.00 0.00 43.02 40.53 1wf0 s PHE 46 CO -0.00 -0.67 -0.10 0.08 -1.46 0.00 0.00 175.22 173.07 1wf0 s VAL 47 N 1.41 3.41 0.05 3.12 1.01 -1.06 -2.41 120.40 125.93 1wf0 s VAL 47 Ca 0.00 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.43 1wf0 s VAL 47 Cb -0.18 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1wf0 s VAL 47 CO 0.00 0.56 0.12 -0.89 0.00 0.00 0.00 175.10 174.89 1wf0 s THR 48 N -0.23 4.85 -0.02 3.92 2.01 -0.66 -1.69 115.64 123.83 1wf0 s THR 48 Ca 0.02 -0.56 0.05 0.00 0.31 0.00 0.00 61.69 61.51 1wf0 s THR 48 Cb -0.13 -3.32 -0.01 0.00 0.01 0.00 0.00 72.50 69.05 1wf0 s THR 48 CO 0.03 0.18 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.61 1wf0 s PHE 49 N -1.38 1.54 0.60 4.92 0.08 0.63 -2.29 117.98 122.08 1wf0 s PHE 49 Ca 0.29 -0.31 0.32 0.00 0.12 0.00 0.00 56.93 57.35 1wf0 s PHE 49 Cb -0.12 -1.00 1.92 0.00 -0.57 0.00 0.00 43.02 43.24 1wf0 s PHE 49 CO 0.22 -0.04 2.27 0.00 -0.10 0.00 0.00 175.22 177.57 1wf0 h ALA 50 N 5.80 1.44 -3.33 5.36 0.00 -1.47 -3.40 119.26 123.65 1wf0 h ALA 50 Ca -0.36 -0.00 -0.57 0.00 0.00 0.00 0.00 54.91 53.97 1wf0 h ALA 50 Cb 1.15 -0.00 -0.34 0.00 0.00 0.00 0.00 17.79 18.60 1wf0 h ALA 50 CO 0.48 0.00 -0.83 -0.51 0.00 0.00 0.00 179.25 178.39 1wf0 s ASP 51 N -6.00 2.30 0.47 0.00 1.11 -1.26 -5.01 116.67 108.28 1wf0 s ASP 51 Ca -0.05 -0.40 0.17 0.00 0.18 0.00 0.00 52.55 52.45 1wf0 s ASP 51 Cb 0.15 -1.04 1.11 0.00 1.07 0.00 0.00 42.92 44.21 1wf0 s ASP 51 CO 0.53 0.04 2.03 -2.24 1.18 0.00 0.00 175.17 176.71 1wf0 h ASP 52 N 7.16 0.00 0.48 0.27 3.04 -1.93 -1.80 116.42 123.64 1wf0 h ASP 52 Ca -0.29 0.00 -0.09 0.00 -3.24 0.00 0.00 57.03 53.41 1wf0 h ASP 52 Cb 1.19 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.47 1wf0 h ASP 52 CO 0.48 0.15 -0.42 1.56 -2.04 0.00 0.00 179.24 178.97 1wf0 h GLN 53 N 0.00 0.00 -0.00 4.15 4.20 -1.96 -2.02 115.11 119.48 1wf0 h GLN 53 Ca -0.00 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 1wf0 h GLN 53 Cb 0.28 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1wf0 h GLN 53 CO 0.02 0.42 -0.72 0.82 -0.67 0.00 0.00 178.83 178.71 1wf0 h ILE 54 N 0.00 1.51 0.13 2.54 2.04 -1.74 -0.68 117.51 121.30 1wf0 h ILE 54 Ca -0.00 -2.44 -0.28 0.00 1.00 0.00 0.00 64.86 63.13 1wf0 h ILE 54 Cb 0.78 2.32 0.02 0.00 -0.74 0.00 0.00 36.82 39.19 1wf0 h ILE 54 CO 0.06 0.70 -1.23 0.00 0.00 0.00 0.00 178.15 177.67 1wf0 h ALA 55 N 1.27 0.08 0.00 1.87 0.00 -1.36 -3.23 119.26 117.89 1wf0 h ALA 55 Ca -0.01 -0.83 -0.02 0.00 0.00 0.00 0.00 54.91 54.06 1wf0 h ALA 55 Cb 1.27 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1wf0 h ALA 55 CO 0.09 0.84 -0.08 1.96 0.00 0.00 0.00 179.25 182.07 1wf0 h GLN 56 N 0.15 0.05 0.00 0.00 1.08 -1.38 -2.72 115.11 112.29 1wf0 h GLN 56 Ca -0.16 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 1wf0 h GLN 56 Cb 1.92 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 29.37 1wf0 h GLN 56 CO 0.22 0.85 0.17 0.77 -0.95 0.00 0.00 178.83 179.89 1wf0 h SER 57 N -0.73 0.00 0.18 1.46 0.02 -1.26 0.11 113.55 113.32 1wf0 h SER 57 Ca -0.01 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.59 1wf0 h SER 57 Cb 0.88 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.37 1wf0 h SER 57 CO 0.02 0.00 -2.12 0.18 -1.14 0.00 0.00 176.83 173.77 1wf0 n LEU 58 N -2.22 1.39 -4.60 5.07 4.77 -1.20 -4.87 117.00 115.34 1wf0 n LEU 58 Ca -0.01 0.14 -0.52 0.00 -0.03 0.00 0.00 56.01 55.59 1wf0 n LEU 58 Cb 0.20 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.02 1wf0 n LEU 58 CO 0.08 0.62 0.95 0.00 -1.33 0.00 0.00 177.39 177.72 1wf0 n GLY 60 N 2.70 1.38 3.76 0.00 0.00 -0.22 -4.98 105.19 107.83 1wf0 n GLY 60 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.74 4.37 -0.32 1.61 0.41 0.54 -4.95 118.70 119.62 1wf0 s GLU 61 Ca 0.00 0.83 -0.14 0.00 -0.41 0.00 0.00 54.97 55.25 1wf0 s GLU 61 Cb 0.00 -3.34 -0.02 0.00 -1.78 0.00 0.00 34.13 28.98 1wf0 s GLU 61 CO 0.00 0.35 0.32 0.16 -0.49 0.00 0.00 175.26 175.60 1wf0 s ASP 62 N -0.19 6.15 0.17 -0.19 -4.77 -1.26 -3.62 116.67 112.95 1wf0 s ASP 62 Ca 0.33 -0.17 0.09 0.00 -3.30 0.00 0.00 52.55 49.50 1wf0 s ASP 62 Cb -0.19 -2.18 -0.04 0.00 -1.09 0.00 0.00 42.92 39.42 1wf0 s ASP 62 CO 0.19 -0.26 -0.10 -0.76 0.70 0.00 0.00 175.17 174.94 1wf0 s LEU 63 N 1.94 2.98 -0.18 2.11 1.43 -1.15 -4.99 118.68 120.83 1wf0 s LEU 63 Ca 0.11 -0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 52.64 1wf0 s LEU 63 Cb -0.17 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 1wf0 s LEU 63 CO 0.11 0.11 -0.10 -0.63 0.23 0.00 0.00 176.35 176.08 1wf0 s ILE 64 N -1.63 3.11 -0.33 -0.59 -1.09 -1.26 -1.63 121.20 117.79 1wf0 s ILE 64 Ca 0.24 -0.61 0.03 0.00 -2.23 0.00 0.00 60.65 58.09 1wf0 s ILE 64 Cb -0.09 -2.36 0.10 0.00 -1.58 0.00 0.00 42.46 38.53 1wf0 s ILE 64 CO 0.15 0.48 0.04 -0.63 -1.23 0.00 0.00 174.94 173.75 1wf0 s ILE 65 N 0.96 2.05 0.00 2.92 1.01 -0.51 -4.68 121.20 122.94 1wf0 s ILE 65 Ca -0.01 -2.12 0.00 0.00 0.00 0.00 0.00 60.65 58.52 1wf0 s ILE 65 Cb -0.15 -2.48 0.00 0.00 0.01 0.00 0.00 42.46 39.84 1wf0 s ILE 65 CO -0.01 -0.55 0.00 0.29 0.00 0.00 0.00 174.94 174.68 1wf0 n LYS 66 N 4.36 0.00 0.00 2.79 5.02 -1.26 -3.01 118.16 126.07 1wf0 n LYS 66 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1wf0 n LYS 66 Cb 0.42 -2.50 0.00 0.00 -0.02 0.00 0.00 35.03 32.93 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 -2.00 1.06 3.80 0.72 0.00 -1.26 -5.12 105.19 102.39 1wf0 n GLY 67 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.56 4.10 -0.28 -0.61 -5.25 -1.16 -5.00 121.20 112.43 1wf0 s ILE 68 Ca 0.00 1.52 -0.11 0.00 -0.99 0.00 0.00 60.65 61.06 1wf0 s ILE 68 Cb 0.00 -3.74 -0.05 0.00 2.95 0.00 0.00 42.46 41.63 1wf0 s ILE 68 CO 0.00 -0.08 0.21 -0.55 -1.79 0.00 0.00 174.94 172.72 1wf0 s SER 69 N -1.82 6.04 -0.06 4.36 0.15 -1.26 -1.43 113.70 119.67 1wf0 s SER 69 Ca 0.58 -0.01 -0.00 0.00 0.70 0.00 0.00 55.95 57.22 1wf0 s SER 69 Cb -0.16 -2.13 -0.03 0.00 -1.71 0.00 0.00 66.02 61.99 1wf0 s SER 69 CO 0.21 -0.07 -0.03 0.68 1.20 0.00 0.00 173.24 175.23 1wf0 s VAL 70 N 1.78 4.04 -0.33 4.45 -7.23 -0.64 -4.74 120.40 117.72 1wf0 s VAL 70 Ca 0.08 -0.41 -0.08 0.00 -1.81 0.00 0.00 61.98 59.76 1wf0 s VAL 70 Cb -0.16 -2.70 0.02 0.00 0.56 0.00 0.00 36.38 34.11 1wf0 s VAL 70 CO 0.11 0.56 0.12 -2.28 -0.31 0.00 0.00 175.10 173.30 1wf0 s HIS 71 N -0.89 3.21 0.04 2.82 2.46 -1.23 -2.94 115.29 118.77 1wf0 s HIS 71 Ca 0.14 -1.11 -0.30 0.00 0.47 0.00 0.00 55.06 54.26 1wf0 s HIS 71 Cb -0.11 -2.31 -0.04 0.00 -0.13 0.00 0.00 32.58 29.98 1wf0 s HIS 71 CO 0.03 -0.64 0.99 0.42 -2.47 0.00 0.00 174.74 173.07 1wf0 s ILE 72 N 1.48 4.69 -0.01 0.89 -1.09 -1.24 -3.28 121.20 122.65 1wf0 s ILE 72 Ca 0.01 2.03 -0.08 0.00 -2.23 0.00 0.00 60.65 60.38 1wf0 s ILE 72 Cb -0.18 -4.30 0.01 0.00 -1.58 0.00 0.00 42.46 36.40 1wf0 s ILE 72 CO 0.04 0.21 0.17 -0.44 -1.23 0.00 0.00 174.94 173.70 1wf0 s SER 73 N 0.65 -0.04 -0.42 3.58 0.01 -1.15 -1.05 113.70 115.28 1wf0 s SER 73 Ca 0.51 -0.07 -0.14 0.00 1.31 0.00 0.00 55.95 57.56 1wf0 s SER 73 Cb -0.22 0.25 0.04 0.00 0.21 0.00 0.00 66.02 66.30 1wf0 s SER 73 CO 0.29 -0.34 0.30 0.54 0.41 0.00 0.00 173.24 174.44 1wf0 s ASN 74 N -1.16 6.00 0.03 2.44 4.22 -1.26 0.05 114.94 125.25 1wf0 s ASN 74 Ca -0.12 -1.06 0.02 0.00 -2.14 0.00 0.00 52.86 49.55 1wf0 s ASN 74 Cb -0.06 -2.12 -0.02 0.00 1.28 0.00 0.00 41.25 40.33 1wf0 s ASN 74 CO 0.02 -0.49 -0.07 0.00 -2.04 0.00 0.00 177.10 174.52 1wf0 s ALA 75 N 1.62 0.53 -0.34 3.54 0.00 -1.26 -4.99 121.76 120.87 1wf0 s ALA 75 Ca 0.04 -0.57 -0.01 0.00 0.00 0.00 0.00 51.96 51.42 1wf0 s ALA 75 Cb -0.21 -0.01 0.13 0.00 0.00 0.00 0.00 23.12 23.03 1wf0 s ALA 75 CO 0.08 0.03 0.20 -1.21 0.00 0.00 0.00 175.76 174.86 1wf0 s GLU 76 N -1.06 0.47 0.59 0.00 2.02 -1.26 -4.74 118.70 114.73 1wf0 s GLU 76 Ca -0.06 -1.14 -0.18 0.00 0.02 0.00 0.00 54.97 53.62 1wf0 s GLU 76 Cb -0.07 -1.24 -0.04 0.00 0.10 0.00 0.00 34.13 32.88 1wf0 s GLU 76 CO 0.00 -1.17 1.12 -1.25 0.02 0.00 0.00 175.26 173.98 1wf0 s PRO 77 N 1.30 3.14 -0.37 0.39 0.04 -1.26 -4.99 135.00 133.26 1wf0 s PRO 77 Ca 0.16 1.52 -0.26 0.00 0.04 0.00 0.00 61.00 62.46 1wf0 s PRO 77 Cb -0.21 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.36 1wf0 s PRO 77 CO -0.07 -1.00 0.93 0.15 0.04 0.00 0.00 177.00 177.05 1wf0 s LYS 78 N -3.61 3.85 0.22 4.56 1.02 -1.26 -5.02 119.74 119.50 1wf0 s LYS 78 Ca 0.70 0.59 -0.30 0.00 0.02 0.00 0.00 55.97 56.99 1wf0 s LYS 78 Cb -0.22 -3.80 -0.08 0.00 -0.52 0.00 0.00 37.83 33.20 1wf0 s LYS 78 CO 0.33 -0.95 1.07 -1.01 -0.92 0.00 0.00 175.35 173.86 1wf0 s HIS 79 N 3.48 3.67 -0.21 3.18 3.76 -1.26 -5.04 115.29 122.87 1wf0 s HIS 79 Ca 0.38 1.70 -0.07 0.00 -0.15 0.00 0.00 55.06 56.92 1wf0 s HIS 79 Cb -0.12 -3.22 0.10 0.00 1.11 0.00 0.00 32.58 30.45 1wf0 s HIS 79 CO 0.19 -0.36 0.44 1.21 -0.85 0.00 0.00 174.74 175.36 1wf0 s ASN 80 N -0.56 -0.31 0.59 1.40 3.84 -1.26 -5.12 114.94 113.52 1wf0 s ASN 80 Ca 0.46 1.00 0.00 0.00 0.21 0.00 0.00 52.86 54.54 1wf0 s ASN 80 Cb -0.29 1.42 0.00 0.00 -0.55 0.00 0.00 41.25 41.83 1wf0 s ASN 80 CO 0.36 -0.23 0.00 -1.20 -2.79 0.00 0.00 177.10 173.24 1wf0 n SER 81 N 5.40 -8.18 -3.73 -4.21 7.64 -1.26 -5.02 113.62 104.26 1wf0 n SER 81 Ca -0.08 1.76 -0.12 0.00 1.01 0.00 0.00 58.87 61.43 1wf0 n SER 81 Cb 0.49 -5.07 -0.11 0.00 -1.01 0.00 0.00 64.21 58.51 1wf0 n SER 81 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1wf0 s ASN 82 N -5.84 -0.39 -0.30 6.43 -0.87 -1.26 -5.13 114.94 107.58 1wf0 s ASN 82 Ca 0.00 0.72 -0.26 0.00 -1.57 0.00 0.00 52.86 51.75 1wf0 s ASN 82 Cb 0.00 0.65 0.01 0.00 -0.02 0.00 0.00 41.25 41.88 1wf0 s ASN 82 CO 0.00 -0.16 0.91 -0.44 -2.57 0.00 0.00 177.10 174.84 1wf0 s SER 83 N 0.92 6.79 0.16 -1.22 0.01 -1.26 -5.04 113.70 114.06 1wf0 s SER 83 Ca -0.06 0.86 0.10 0.00 1.31 0.00 0.00 55.95 58.16 1wf0 s SER 83 Cb -0.07 -2.46 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 1wf0 s SER 83 CO -0.07 -0.70 -0.17 -0.83 0.41 0.00 0.00 173.24 171.88 1wf0 s GLY 84 N 1.59 1.71 -0.64 3.44 0.00 -1.26 -5.07 107.32 107.09 1wf0 s GLY 84 Ca 0.38 -1.49 -0.26 0.00 0.00 0.00 0.00 44.72 43.35 1wf0 s GLY 84 CO 0.13 -1.50 1.87 2.56 0.00 0.00 0.00 173.10 176.16 1wf0 s PRO 85 N -2.55 2.62 -0.56 2.90 0.04 -1.26 -4.86 135.00 131.33 1wf0 s PRO 85 Ca 0.21 0.52 -0.03 0.00 0.04 0.00 0.00 61.00 61.74 1wf0 s PRO 85 Cb -0.09 -4.45 0.15 0.00 0.04 0.00 0.00 34.50 30.15 1wf0 s PRO 85 CO 0.12 -2.79 2.54 0.45 0.04 0.00 0.00 177.00 177.36 1wf0 n SER 86 N 12.85 6.77 -3.86 6.66 2.88 -1.26 -4.89 113.62 132.78 1wf0 n SER 86 Ca 0.22 -3.38 -0.12 0.00 -1.33 0.00 0.00 58.87 54.27 1wf0 n SER 86 Cb 0.52 -1.18 -0.13 0.00 -0.75 0.00 0.00 64.21 62.67 1wf0 n SER 86 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wf0 s SER 87 N -0.06 -0.05 0.00 -3.46 1.04 -1.26 -5.36 113.70 104.55 1wf0 s SER 87 Ca 0.56 0.08 0.00 0.00 0.48 0.00 0.00 55.95 57.08 1wf0 s SER 87 Cb 0.40 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1wf0 s SER 87 CO -0.26 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.49