#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 5.15 -0.08 1.61 0.01 -1.26 -5.09 113.70 114.04 1wf0 s SER 2 Ca 0.00 0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.28 1wf0 s SER 2 Cb 0.00 -1.36 0.02 0.00 0.21 0.00 0.00 66.02 64.89 1wf0 s SER 2 CO 0.00 0.30 -0.06 -0.44 0.41 0.00 0.00 173.24 173.45 1wf0 s SER 3 N -1.44 1.68 0.00 2.44 0.01 -1.26 -4.90 113.70 110.23 1wf0 s SER 3 Ca 0.19 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.23 1wf0 s SER 3 Cb -0.11 -0.66 0.00 0.00 0.21 0.00 0.00 66.02 65.46 1wf0 s SER 3 CO 0.09 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.26 1wf0 n GLY 4 N 4.55 0.84 0.10 3.44 0.00 -1.26 -5.06 105.19 107.80 1wf0 n GLY 4 Ca -0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 1wf0 n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wf0 h SER 5 N 0.00 0.21 -1.35 1.61 0.87 -1.98 -3.31 113.55 109.60 1wf0 h SER 5 Ca 0.00 -0.59 -0.65 0.00 -1.23 0.00 0.00 61.79 59.32 1wf0 h SER 5 Cb 0.00 -0.06 -0.35 0.00 -0.44 0.00 0.00 62.40 61.55 1wf0 h SER 5 CO 0.00 0.76 0.12 -1.20 -0.53 0.00 0.00 176.83 175.98 1wf0 n SER 6 N -4.63 6.24 -4.60 6.23 7.64 -1.26 -5.01 113.62 118.23 1wf0 n SER 6 Ca -0.08 -3.78 -0.30 0.00 1.01 0.00 0.00 58.87 55.72 1wf0 n SER 6 Cb 0.38 -0.72 -0.10 0.00 -1.01 0.00 0.00 64.21 62.76 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 -2.48 1.81 0.09 0.23 0.00 -1.25 -3.16 107.32 102.56 1wf0 s GLY 7 Ca 0.54 -1.17 0.07 0.00 0.00 0.00 0.00 44.72 44.16 1wf0 s GLY 7 CO -0.16 -1.12 -0.18 -1.34 0.00 0.00 0.00 173.10 170.31 1wf0 s VAL 8 N -1.19 1.44 -0.32 1.40 -7.23 -0.74 -4.46 120.40 109.31 1wf0 s VAL 8 Ca 0.21 -1.45 -0.13 0.00 -1.81 0.00 0.00 61.98 58.81 1wf0 s VAL 8 Cb -0.11 -1.35 -0.03 0.00 0.56 0.00 0.00 36.38 35.45 1wf0 s VAL 8 CO 0.13 -0.14 0.25 -0.36 -0.31 0.00 0.00 175.10 174.67 1wf0 s PHE 9 N -1.25 3.22 -1.26 2.82 0.08 -0.18 -2.14 117.98 119.28 1wf0 s PHE 9 Ca 0.03 -0.04 -0.13 0.00 0.12 0.00 0.00 56.93 56.91 1wf0 s PHE 9 Cb -0.10 -2.48 0.15 0.00 -0.57 0.00 0.00 43.02 40.02 1wf0 s PHE 9 CO 0.03 -0.30 1.66 0.28 -0.10 0.00 0.00 175.22 176.79 1wf0 n VAL 10 N 5.11 4.22 0.00 -0.44 0.31 0.32 -3.25 118.33 124.61 1wf0 n VAL 10 Ca -0.12 -4.47 0.00 0.00 -0.01 0.00 0.00 64.34 59.74 1wf0 n VAL 10 Cb 0.50 -2.42 0.00 0.00 -0.91 0.00 0.00 33.84 31.01 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 3.76 -3.35 4.17 2.92 0.00 -1.25 -3.08 105.19 108.36 1wf0 n GLY 11 Ca 0.40 -1.11 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.58 -0.87 -2.55 1.61 1.74 0.08 -4.38 116.66 110.71 1wf0 n ARG 12 Ca 0.00 0.10 -0.15 0.00 -0.77 0.00 0.00 57.85 57.03 1wf0 n ARG 12 Cb 0.00 -3.58 0.04 0.00 -1.02 0.00 0.00 32.46 27.90 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 -1.65 0.09 0.13 0.00 -4.23 -1.26 -4.43 115.64 104.29 1wf0 s THR 14 Ca 0.40 -0.71 -0.19 0.00 -1.18 0.00 0.00 61.69 60.01 1wf0 s THR 14 Cb -0.03 -0.21 -0.03 0.00 1.34 0.00 0.00 72.50 73.57 1wf0 s THR 14 CO 0.25 -0.39 1.74 1.23 -0.54 0.00 0.00 174.62 176.91 1wf0 h GLY 15 N 4.98 0.27 -0.93 3.99 0.00 -2.00 -2.89 103.07 106.50 1wf0 h GLY 15 Ca -0.30 -0.03 0.14 0.00 0.00 0.00 0.00 47.33 47.14 1wf0 h GLY 15 CO 0.43 0.01 -0.37 1.22 0.00 0.00 0.00 176.54 177.83 1wf0 n ASP 16 N -5.07 -0.62 -4.45 0.19 8.00 -1.26 -4.50 116.55 108.84 1wf0 n ASP 16 Ca -0.02 1.62 -0.43 0.00 0.71 0.00 0.00 54.79 56.67 1wf0 n ASP 16 Cb 0.10 -0.36 -0.00 0.00 -0.02 0.00 0.00 41.12 40.83 1wf0 n ASP 16 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1wf0 n MET 17 N -5.36 0.54 -4.69 -1.24 2.81 -1.09 -4.98 117.12 103.12 1wf0 n MET 17 Ca 0.09 0.20 -0.29 0.00 -1.81 0.00 0.00 57.70 55.89 1wf0 n MET 17 Cb 0.37 -1.43 -0.14 0.00 -0.71 0.00 0.00 33.22 31.31 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 -1.35 2.06 0.44 2.03 -4.23 -1.26 -4.99 115.64 108.33 1wf0 s THR 18 Ca 0.62 -1.46 0.32 0.00 -1.18 0.00 0.00 61.69 59.99 1wf0 s THR 18 Cb -0.67 -1.79 0.50 0.00 1.34 0.00 0.00 72.50 71.88 1wf0 s THR 18 CO 0.59 0.24 1.60 -0.33 -0.54 0.00 0.00 174.62 176.17 1wf0 h GLU 19 N 4.52 0.04 -0.27 3.99 5.08 -1.94 0.93 114.58 126.94 1wf0 h GLU 19 Ca -0.47 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.86 1wf0 h GLU 19 Cb 1.15 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1wf0 h GLU 19 CO 0.42 0.03 0.04 -0.44 -1.00 0.00 0.00 179.01 178.06 1wf0 h ASP 20 N 0.04 0.43 0.26 1.42 5.19 -1.94 0.68 116.42 122.49 1wf0 h ASP 20 Ca 0.86 -0.26 -0.00 0.00 -0.62 0.00 0.00 57.03 57.00 1wf0 h ASP 20 Cb 2.74 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 42.11 1wf0 h ASP 20 CO -0.44 0.59 -0.37 -0.33 -3.12 0.00 0.00 179.24 175.57 1wf0 h GLU 21 N 0.26 -0.63 -0.56 3.56 4.39 0.50 0.65 114.58 122.74 1wf0 h GLU 21 Ca 0.08 0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.84 1wf0 h GLU 21 Cb 0.34 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 1wf0 h GLU 21 CO 0.01 -0.42 0.35 -0.07 -1.16 0.00 0.00 179.01 177.71 1wf0 h LEU 22 N -0.65 0.58 -1.86 1.33 3.38 -1.55 -1.13 115.31 115.41 1wf0 h LEU 22 Ca -0.03 -0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.07 1wf0 h LEU 22 Cb 0.59 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1wf0 h LEU 22 CO -0.10 0.41 0.39 -0.09 0.09 0.00 0.00 178.44 179.14 1wf0 h ARG 23 N 0.70 0.15 0.00 1.13 2.43 -0.60 0.35 114.38 118.53 1wf0 h ARG 23 Ca 0.22 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1wf0 h ARG 23 Cb -0.01 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1wf0 h ARG 23 CO -0.08 0.10 -0.58 0.93 -1.51 0.00 0.00 179.97 178.83 1wf0 h GLU 24 N 0.15 0.00 0.07 0.20 3.07 0.16 -2.99 114.58 115.24 1wf0 h GLU 24 Ca 0.27 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.82 1wf0 h GLU 24 Cb 0.86 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.74 1wf0 h GLU 24 CO -0.04 0.00 -1.64 0.35 -1.40 0.00 0.00 179.01 176.29 1wf0 h PHE 25 N 0.00 0.27 -0.01 4.33 3.57 0.75 -3.33 116.94 122.52 1wf0 h PHE 25 Ca 0.00 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.30 1wf0 h PHE 25 Cb 0.77 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.50 1wf0 h PHE 25 CO 0.00 1.30 -0.30 1.19 -2.23 0.00 0.00 178.31 178.27 1wf0 n PHE 26 N -3.31 0.00 0.17 0.41 3.72 0.19 -3.92 117.46 114.72 1wf0 n PHE 26 Ca -0.18 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.23 1wf0 n PHE 26 Cb 1.04 -0.14 0.31 0.00 -0.94 0.00 0.00 39.48 39.74 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 1.02 0.01 0.02 4.37 4.64 -1.63 -2.72 113.55 119.27 1wf0 h SER 27 Ca 0.00 -0.01 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 1wf0 h SER 27 Cb 0.51 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1wf0 h SER 27 CO 0.00 0.44 -0.67 0.06 -0.87 0.00 0.00 176.83 175.79 1wf0 h GLN 28 N 0.01 0.61 0.24 4.77 3.07 -1.76 -3.29 115.11 118.75 1wf0 h GLN 28 Ca -0.00 -0.45 -0.01 0.00 0.09 0.00 0.00 58.65 58.27 1wf0 h GLN 28 Cb 0.77 0.08 0.00 0.00 0.08 0.00 0.00 27.48 28.41 1wf0 h GLN 28 CO 0.06 1.07 -0.11 1.88 0.09 0.00 0.00 178.83 181.82 1wf0 h TYR 29 N 0.44 -0.29 -1.87 0.06 -1.99 -1.72 -3.48 116.97 108.11 1wf0 h TYR 29 Ca -0.02 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1wf0 h TYR 29 Cb 1.26 0.10 0.00 0.00 2.00 0.00 0.00 36.73 40.09 1wf0 h TYR 29 CO 0.06 -0.01 0.00 0.41 -0.00 0.00 0.00 178.16 178.62 1wf0 n GLY 30 N -0.56 2.19 3.57 3.88 0.00 -1.04 -5.07 105.19 108.15 1wf0 n GLY 30 Ca -0.09 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.50 1wf0 n GLY 30 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1wf0 s ASP 31 N -0.61 6.79 -0.63 1.61 1.01 -1.26 -4.28 116.67 119.30 1wf0 s ASP 31 Ca 0.00 -2.30 -0.26 0.00 0.71 0.00 0.00 52.55 50.70 1wf0 s ASP 31 Cb 0.00 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.32 1wf0 s ASP 31 CO 0.00 -1.21 2.06 0.54 0.21 0.00 0.00 175.17 176.77 1wf0 s VAL 32 N 4.20 3.25 0.09 -1.27 0.11 -1.26 -0.29 120.40 125.23 1wf0 s VAL 32 Ca 0.52 0.06 -0.19 0.00 -2.93 0.00 0.00 61.98 59.43 1wf0 s VAL 32 Cb 0.03 -3.64 -0.05 0.00 -1.53 0.00 0.00 36.38 31.19 1wf0 s VAL 32 CO 0.04 -0.61 1.33 0.24 -3.33 0.00 0.00 175.10 172.77 1wf0 h MET 33 N 15.60 -0.07 -2.91 1.54 2.86 -1.46 -3.46 114.93 127.04 1wf0 h MET 33 Ca -0.19 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.51 1wf0 h MET 33 Cb 1.16 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.80 1wf0 h MET 33 CO 1.19 -0.04 0.29 0.34 1.06 0.00 0.00 176.91 179.74 1wf0 s ASP 34 N -4.41 -0.14 -0.08 1.22 -1.08 -1.13 -5.01 116.67 106.03 1wf0 s ASP 34 Ca -0.08 -0.78 -0.02 0.00 -0.52 0.00 0.00 52.55 51.15 1wf0 s ASP 34 Cb 0.06 0.74 0.03 0.00 -1.46 0.00 0.00 42.92 42.29 1wf0 s ASP 34 CO 0.38 -1.41 0.03 -0.69 0.52 0.00 0.00 175.17 173.99 1wf0 s VAL 35 N -3.20 0.24 0.28 1.11 1.01 -1.26 -1.34 120.40 117.24 1wf0 s VAL 35 Ca 0.13 0.11 0.10 0.00 0.00 0.00 0.00 61.98 62.31 1wf0 s VAL 35 Cb -0.05 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 1wf0 s VAL 35 CO 0.08 0.15 0.00 0.12 0.00 0.00 0.00 175.10 175.45 1wf0 s PHE 36 N 2.02 2.65 -0.35 5.22 5.36 -0.54 -4.92 117.98 127.42 1wf0 s PHE 36 Ca 0.04 -0.27 0.01 0.00 -0.96 0.00 0.00 56.93 55.74 1wf0 s PHE 36 Cb -0.13 -1.27 0.11 0.00 -0.34 0.00 0.00 43.02 41.40 1wf0 s PHE 36 CO -0.05 0.58 0.14 0.42 -1.46 0.00 0.00 175.22 174.85 1wf0 s ILE 37 N -2.37 1.14 -0.14 3.12 1.01 -1.26 -1.87 121.20 120.82 1wf0 s ILE 37 Ca 0.32 -1.85 -0.29 0.00 0.00 0.00 0.00 60.65 58.83 1wf0 s ILE 37 Cb -0.05 -1.84 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 1wf0 s ILE 37 CO 0.20 -0.75 1.55 -2.16 0.00 0.00 0.00 174.94 173.78 1wf0 s PRO 38 N 1.15 4.05 0.34 2.79 0.04 -1.26 -4.91 135.00 137.19 1wf0 s PRO 38 Ca 0.13 1.87 -0.10 0.00 0.04 0.00 0.00 61.00 62.94 1wf0 s PRO 38 Cb -0.20 -3.96 -0.07 0.00 0.04 0.00 0.00 34.50 30.32 1wf0 s PRO 38 CO -0.15 -0.98 0.68 0.15 0.04 0.00 0.00 177.00 176.74 1wf0 s LYS 39 N 4.16 3.79 0.30 4.56 -0.14 -1.26 -3.74 119.74 127.40 1wf0 s LYS 39 Ca 0.68 0.37 -0.29 0.00 -1.36 0.00 0.00 55.97 55.37 1wf0 s LYS 39 Cb -0.27 -2.49 -0.10 0.00 -1.68 0.00 0.00 37.83 33.28 1wf0 s LYS 39 CO 0.26 0.10 1.23 -1.25 -0.76 0.00 0.00 175.35 174.94 1wf0 s PRO 40 N -3.48 4.46 -0.38 -1.68 0.04 -1.26 -5.08 135.00 127.61 1wf0 s PRO 40 Ca 0.50 2.06 -0.29 0.00 0.04 0.00 0.00 61.00 63.31 1wf0 s PRO 40 Cb -0.10 -3.12 -0.00 0.00 0.04 0.00 0.00 34.50 31.31 1wf0 s PRO 40 CO 0.27 -0.06 1.58 0.12 0.04 0.00 0.00 177.00 178.96 1wf0 s PHE 41 N -1.02 2.13 -0.77 0.56 5.36 -1.25 -4.94 117.98 118.05 1wf0 s PHE 41 Ca 0.48 0.64 -0.01 0.00 -0.96 0.00 0.00 56.93 57.09 1wf0 s PHE 41 Cb -0.37 -4.24 0.19 0.00 -0.34 0.00 0.00 43.02 38.27 1wf0 s PHE 41 CO 0.47 -2.41 0.61 1.03 -1.46 0.00 0.00 175.22 173.47 1wf0 s ARG 42 N 5.27 2.89 -1.36 10.12 0.52 -1.26 -4.81 118.95 130.32 1wf0 s ARG 42 Ca 0.69 -3.03 -0.16 0.00 -0.52 0.00 0.00 55.73 52.71 1wf0 s ARG 42 Cb -0.17 -3.79 0.16 0.00 0.52 0.00 0.00 34.95 31.67 1wf0 s ARG 42 CO 0.33 -1.23 0.40 0.00 0.02 0.00 0.00 175.30 174.81 1wf0 n ALA 43 N 2.66 -0.97 -3.63 2.13 0.00 -1.26 -4.83 120.51 114.61 1wf0 n ALA 43 Ca 0.16 -0.17 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1wf0 n ALA 43 Cb 0.37 -1.72 -0.07 0.00 0.00 0.00 0.00 19.45 18.03 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 -2.78 -0.75 0.13 0.00 -0.71 -1.26 -0.16 117.98 112.46 1wf0 s PHE 44 Ca 0.56 1.81 0.03 0.00 -1.04 0.00 0.00 56.93 58.29 1wf0 s PHE 44 Cb -0.32 0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 41.73 1wf0 s PHE 44 CO 0.75 -0.37 -0.08 0.00 -1.34 0.00 0.00 175.22 174.18 1wf0 s ALA 45 N 0.31 1.29 -0.12 1.99 0.00 -1.18 -4.81 121.76 119.25 1wf0 s ALA 45 Ca 0.00 -1.45 -0.04 0.00 0.00 0.00 0.00 51.96 50.47 1wf0 s ALA 45 Cb -0.05 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 1wf0 s ALA 45 CO 0.00 -0.16 0.02 0.12 0.00 0.00 0.00 175.76 175.75 1wf0 s PHE 46 N -3.45 3.20 -0.01 0.00 5.36 -0.78 -0.52 117.98 121.78 1wf0 s PHE 46 Ca 0.15 0.12 0.03 0.00 -0.96 0.00 0.00 56.93 56.27 1wf0 s PHE 46 Cb 0.04 -1.90 -0.01 0.00 -0.34 0.00 0.00 43.02 40.81 1wf0 s PHE 46 CO -0.01 0.34 -0.09 0.08 -1.46 0.00 0.00 175.22 174.07 1wf0 s VAL 47 N -0.39 0.72 -0.04 3.12 1.01 -0.91 -1.47 120.40 122.44 1wf0 s VAL 47 Ca 0.08 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 61.71 1wf0 s VAL 47 Cb -0.12 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.63 1wf0 s VAL 47 CO 0.02 0.19 -0.21 -0.89 0.00 0.00 0.00 175.10 174.21 1wf0 s THR 48 N -0.24 2.50 0.04 3.92 2.01 -0.45 -1.79 115.64 121.62 1wf0 s THR 48 Ca 0.03 -0.93 0.07 0.00 0.31 0.00 0.00 61.69 61.17 1wf0 s THR 48 Cb -0.04 -1.93 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 1wf0 s THR 48 CO -0.00 0.58 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.98 1wf0 s PHE 49 N -0.58 2.59 0.54 4.92 0.08 -1.19 -1.29 117.98 123.05 1wf0 s PHE 49 Ca 0.08 -0.24 0.23 0.00 0.12 0.00 0.00 56.93 57.12 1wf0 s PHE 49 Cb -0.11 -1.47 1.41 0.00 -0.57 0.00 0.00 43.02 42.28 1wf0 s PHE 49 CO 0.00 0.27 2.08 0.00 -0.10 0.00 0.00 175.22 177.48 1wf0 h ALA 50 N 4.49 2.14 -4.17 5.36 0.00 -0.98 -3.42 119.26 122.68 1wf0 h ALA 50 Ca -0.48 -0.01 -0.68 0.00 0.00 0.00 0.00 54.91 53.74 1wf0 h ALA 50 Cb 1.16 0.02 -0.25 0.00 0.00 0.00 0.00 17.79 18.71 1wf0 h ALA 50 CO 0.48 -0.31 -0.87 0.34 0.00 0.00 0.00 179.25 178.89 1wf0 s ASP 51 N -6.46 3.13 0.45 0.00 -1.08 -1.26 -5.02 116.67 106.42 1wf0 s ASP 51 Ca -0.05 -0.63 0.25 0.00 -0.52 0.00 0.00 52.55 51.60 1wf0 s ASP 51 Cb 0.18 -0.26 0.69 0.00 -1.46 0.00 0.00 42.92 42.07 1wf0 s ASP 51 CO 0.67 0.23 1.73 -2.24 0.52 0.00 0.00 175.17 176.07 1wf0 h ASP 52 N 4.55 0.00 0.10 -0.34 2.03 -1.92 -3.13 116.42 117.71 1wf0 h ASP 52 Ca -0.47 0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 55.70 1wf0 h ASP 52 Cb 1.15 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.64 1wf0 h ASP 52 CO 0.42 0.12 -0.46 0.06 -1.03 0.00 0.00 179.24 178.35 1wf0 h GLN 53 N 0.00 0.43 -0.66 4.15 3.07 -1.96 -2.28 115.11 117.86 1wf0 h GLN 53 Ca -0.00 -0.23 -0.05 0.00 0.09 0.00 0.00 58.65 58.46 1wf0 h GLN 53 Cb 0.87 0.01 -0.03 0.00 0.08 0.00 0.00 27.48 28.42 1wf0 h GLN 53 CO 0.02 0.80 0.22 0.82 0.09 0.00 0.00 178.83 180.77 1wf0 h ILE 54 N 0.35 1.25 0.24 1.86 2.04 -1.95 0.94 117.51 122.23 1wf0 h ILE 54 Ca 0.02 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 1wf0 h ILE 54 Cb 0.94 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1wf0 h ILE 54 CO 0.08 0.33 -0.11 0.00 0.00 0.00 0.00 178.15 178.44 1wf0 h ALA 55 N 1.09 -0.32 -0.36 1.87 0.00 -1.63 -2.50 119.26 117.41 1wf0 h ALA 55 Ca 0.21 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1wf0 h ALA 55 Cb 0.28 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1wf0 h ALA 55 CO -0.01 -0.44 0.24 1.96 0.00 0.00 0.00 179.25 181.00 1wf0 h GLN 56 N -0.79 0.40 0.00 0.00 4.20 -1.41 0.19 115.11 117.71 1wf0 h GLN 56 Ca -0.03 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 1wf0 h GLN 56 Cb 0.51 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 1wf0 h GLN 56 CO 0.05 0.27 -0.18 0.66 -0.67 0.00 0.00 178.83 178.96 1wf0 h SER 57 N 0.42 0.00 0.37 1.46 4.64 -0.79 -3.05 113.55 116.60 1wf0 h SER 57 Ca 0.14 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.18 1wf0 h SER 57 Cb 0.05 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.09 1wf0 h SER 57 CO -0.03 0.18 -1.86 0.18 -0.87 0.00 0.00 176.83 174.43 1wf0 n LEU 58 N -3.34 0.59 -4.60 5.97 4.77 -0.10 -4.82 117.00 115.48 1wf0 n LEU 58 Ca 0.00 0.27 -0.46 0.00 -0.03 0.00 0.00 56.01 55.80 1wf0 n LEU 58 Cb 0.41 0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 41.70 1wf0 n LEU 58 CO 0.32 0.36 1.73 0.00 -1.33 0.00 0.00 177.39 178.48 1wf0 n GLY 60 N 5.46 0.90 3.61 0.00 0.00 -0.38 -4.98 105.19 109.79 1wf0 n GLY 60 Ca 0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.84 2.94 -0.37 1.61 2.02 0.07 -4.99 118.70 119.15 1wf0 s GLU 61 Ca 0.00 -0.49 -0.18 0.00 0.02 0.00 0.00 54.97 54.32 1wf0 s GLU 61 Cb 0.00 -2.70 0.00 0.00 0.10 0.00 0.00 34.13 31.53 1wf0 s GLU 61 CO 0.00 0.63 0.50 0.16 0.02 0.00 0.00 175.26 176.57 1wf0 s ASP 62 N -0.71 6.28 0.11 -0.19 1.47 -1.26 -3.53 116.67 118.84 1wf0 s ASP 62 Ca 0.11 -0.17 0.06 0.00 1.18 0.00 0.00 52.55 53.73 1wf0 s ASP 62 Cb -0.11 -2.26 -0.04 0.00 -0.34 0.00 0.00 42.92 40.17 1wf0 s ASP 62 CO 0.02 -0.51 -0.06 -0.76 0.68 0.00 0.00 175.17 174.54 1wf0 s LEU 63 N 2.35 3.20 -0.21 2.11 1.43 -1.17 -4.97 118.68 121.43 1wf0 s LEU 63 Ca 0.17 -0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 52.89 1wf0 s LEU 63 Cb -0.16 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 1wf0 s LEU 63 CO 0.14 0.16 0.00 -0.63 0.23 0.00 0.00 176.35 176.25 1wf0 s ILE 64 N -1.32 3.92 -0.29 -0.59 -1.09 -1.26 -1.58 121.20 119.00 1wf0 s ILE 64 Ca 0.24 -0.32 0.03 0.00 -2.23 0.00 0.00 60.65 58.37 1wf0 s ILE 64 Cb -0.11 -2.78 0.08 0.00 -1.58 0.00 0.00 42.46 38.07 1wf0 s ILE 64 CO 0.16 0.42 -0.04 -0.63 -1.23 0.00 0.00 174.94 173.62 1wf0 s ILE 65 N 1.09 2.11 -0.02 2.92 1.01 0.68 -4.66 121.20 124.34 1wf0 s ILE 65 Ca 0.02 -1.85 0.00 0.00 0.00 0.00 0.00 60.65 58.82 1wf0 s ILE 65 Cb -0.14 -2.37 0.00 0.00 0.01 0.00 0.00 42.46 39.96 1wf0 s ILE 65 CO 0.01 -0.26 0.00 0.29 0.00 0.00 0.00 174.94 174.98 1wf0 n LYS 66 N 4.40 -1.01 0.00 2.79 5.02 -1.26 -2.52 118.16 125.58 1wf0 n LYS 66 Ca -0.07 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 1wf0 n LYS 66 Cb 0.42 -4.03 0.00 0.00 -0.02 0.00 0.00 35.03 31.40 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 -0.99 1.03 3.83 0.72 0.00 -1.26 -5.10 105.19 103.43 1wf0 n GLY 67 Ca -0.00 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.02 4.36 -0.18 -0.61 -5.25 -1.05 -4.99 121.20 112.47 1wf0 s ILE 68 Ca 0.00 1.24 -0.05 0.00 -0.99 0.00 0.00 60.65 60.85 1wf0 s ILE 68 Cb 0.00 -3.63 -0.03 0.00 2.95 0.00 0.00 42.46 41.75 1wf0 s ILE 68 CO 0.00 -0.54 0.00 -0.55 -1.79 0.00 0.00 174.94 172.06 1wf0 s SER 69 N -2.74 5.05 0.13 4.36 0.15 -1.26 -0.23 113.70 119.16 1wf0 s SER 69 Ca 0.61 -0.09 0.10 0.00 0.70 0.00 0.00 55.95 57.27 1wf0 s SER 69 Cb -0.11 -1.85 -0.04 0.00 -1.71 0.00 0.00 66.02 62.31 1wf0 s SER 69 CO 0.26 0.14 -0.20 0.68 1.20 0.00 0.00 173.24 175.33 1wf0 s VAL 70 N 0.54 2.71 -0.35 4.45 -7.23 -0.61 -4.81 120.40 115.10 1wf0 s VAL 70 Ca -0.01 -1.63 -0.08 0.00 -1.81 0.00 0.00 61.98 58.45 1wf0 s VAL 70 Cb -0.14 -2.26 0.03 0.00 0.56 0.00 0.00 36.38 34.58 1wf0 s VAL 70 CO 0.02 0.05 0.14 -2.28 -0.31 0.00 0.00 175.10 172.73 1wf0 s HIS 71 N -1.25 3.23 -0.09 2.82 5.65 -1.26 -3.03 115.29 121.36 1wf0 s HIS 71 Ca 0.18 -1.15 -0.30 0.00 0.25 0.00 0.00 55.06 54.04 1wf0 s HIS 71 Cb -0.10 -2.34 -0.02 0.00 -1.18 0.00 0.00 32.58 28.93 1wf0 s HIS 71 CO 0.10 -0.67 1.19 0.42 -0.65 0.00 0.00 174.74 175.13 1wf0 s ILE 72 N 1.48 4.32 0.24 0.89 -1.09 -1.23 -3.77 121.20 122.04 1wf0 s ILE 72 Ca 0.01 1.63 0.01 0.00 -2.23 0.00 0.00 60.65 60.06 1wf0 s ILE 72 Cb -0.19 -4.05 -0.04 0.00 -1.58 0.00 0.00 42.46 36.60 1wf0 s ILE 72 CO 0.04 -0.04 0.14 -0.94 -1.23 0.00 0.00 174.94 172.92 1wf0 s SER 73 N 1.54 0.74 -0.24 3.58 1.04 -1.20 -1.25 113.70 117.91 1wf0 s SER 73 Ca 0.54 -1.45 -0.00 0.00 0.48 0.00 0.00 55.95 55.52 1wf0 s SER 73 Cb -0.23 0.35 0.07 0.00 0.10 0.00 0.00 66.02 66.31 1wf0 s SER 73 CO 0.19 -0.85 -0.01 0.21 0.98 0.00 0.00 173.24 173.76 1wf0 s ASN 74 N -3.25 3.70 0.05 7.02 2.47 -1.26 -1.01 114.94 122.66 1wf0 s ASN 74 Ca 0.38 -1.19 0.02 0.00 0.42 0.00 0.00 52.86 52.49 1wf0 s ASN 74 Cb 0.06 -1.03 -0.03 0.00 -1.45 0.00 0.00 41.25 38.80 1wf0 s ASN 74 CO 0.15 -0.28 -0.06 0.00 -3.72 0.00 0.00 177.10 173.19 1wf0 s ALA 75 N 1.50 0.56 -0.35 1.71 0.00 -1.26 -5.02 121.76 118.90 1wf0 s ALA 75 Ca -0.02 -0.86 -0.01 0.00 0.00 0.00 0.00 51.96 51.07 1wf0 s ALA 75 Cb -0.18 0.10 0.13 0.00 0.00 0.00 0.00 23.12 23.17 1wf0 s ALA 75 CO -0.09 -0.10 0.20 -1.21 0.00 0.00 0.00 175.76 174.56 1wf0 s GLU 76 N -2.10 0.55 0.27 0.00 2.02 -1.26 -4.90 118.70 113.28 1wf0 s GLU 76 Ca -0.06 -1.24 -0.29 0.00 0.02 0.00 0.00 54.97 53.39 1wf0 s GLU 76 Cb -0.06 -1.38 -0.10 0.00 0.10 0.00 0.00 34.13 32.69 1wf0 s GLU 76 CO -0.01 -1.17 1.25 -1.25 0.02 0.00 0.00 175.26 174.10 1wf0 s PRO 77 N 1.20 4.44 -0.52 0.39 0.04 -1.26 -5.00 135.00 134.29 1wf0 s PRO 77 Ca 0.16 2.05 -0.10 0.00 0.04 0.00 0.00 61.00 63.16 1wf0 s PRO 77 Cb -0.22 -3.14 0.13 0.00 0.04 0.00 0.00 34.50 31.31 1wf0 s PRO 77 CO -0.06 -0.11 0.41 0.15 0.04 0.00 0.00 177.00 177.43 1wf0 s LYS 78 N -1.12 2.64 -0.32 4.56 1.02 -1.26 -4.94 119.74 120.32 1wf0 s LYS 78 Ca 0.50 -1.89 -0.08 0.00 0.02 0.00 0.00 55.97 54.53 1wf0 s LYS 78 Cb -0.37 -4.00 0.19 0.00 -0.52 0.00 0.00 37.83 33.13 1wf0 s LYS 78 CO 0.45 -1.22 1.00 -1.58 -0.92 0.00 0.00 175.35 173.08 1wf0 s HIS 79 N 1.16 -0.56 -0.02 3.18 2.46 -1.26 -5.17 115.29 115.08 1wf0 s HIS 79 Ca 0.07 0.16 -0.29 0.00 0.47 0.00 0.00 55.06 55.47 1wf0 s HIS 79 Cb -0.25 0.10 0.09 0.00 -0.13 0.00 0.00 32.58 32.39 1wf0 s HIS 79 CO -0.01 -0.36 0.77 1.21 -2.47 0.00 0.00 174.74 173.88 1wf0 s ASN 80 N 2.24 -0.52 -0.14 9.88 3.84 -1.26 -5.16 114.94 123.81 1wf0 s ASN 80 Ca 0.18 0.37 -0.02 0.00 0.21 0.00 0.00 52.86 53.59 1wf0 s ASN 80 Cb 0.01 0.47 -0.02 0.00 -0.55 0.00 0.00 41.25 41.16 1wf0 s ASN 80 CO -0.17 -0.63 -0.07 -0.55 -2.79 0.00 0.00 177.10 172.90 1wf0 s SER 81 N -1.73 4.53 0.01 -4.21 0.15 -1.26 -4.83 113.70 106.36 1wf0 s SER 81 Ca -0.03 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.43 1wf0 s SER 81 Cb -0.00 -1.68 0.00 0.00 -1.71 0.00 0.00 66.02 62.62 1wf0 s SER 81 CO -0.00 0.18 0.00 -3.20 1.20 0.00 0.00 173.24 171.42 1wf0 n ASN 82 N 3.43 -0.10 -1.32 5.45 2.85 -1.26 -5.16 115.26 119.14 1wf0 n ASN 82 Ca -0.18 0.16 0.03 0.00 -0.11 0.00 0.00 54.58 54.48 1wf0 n ASN 82 Cb 0.53 0.26 -0.02 0.00 1.24 0.00 0.00 39.78 41.79 1wf0 n ASN 82 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1wf0 n SER 83 N -2.34 -7.12 0.00 1.20 2.88 -1.26 -4.98 113.62 102.00 1wf0 n SER 83 Ca 0.00 1.54 0.00 0.00 -1.33 0.00 0.00 58.87 59.08 1wf0 n SER 83 Cb 0.00 -4.20 0.00 0.00 -0.75 0.00 0.00 64.21 59.26 1wf0 n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wf0 n GLY 84 N -2.74 -0.10 0.17 0.46 0.00 -1.26 -4.78 105.19 96.95 1wf0 n GLY 84 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 1wf0 n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wf0 h PRO 85 N 0.00 0.00 -6.18 1.61 0.13 -1.99 -3.45 132.00 122.12 1wf0 h PRO 85 Ca 0.00 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.41 1wf0 h PRO 85 Cb 0.00 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.16 1wf0 h PRO 85 CO 0.00 0.00 0.76 0.45 -0.23 0.00 0.00 178.00 178.98 1wf0 n SER 86 N -2.47 2.15 -4.45 1.44 2.88 -1.26 -4.70 113.62 107.21 1wf0 n SER 86 Ca 0.02 1.09 -0.60 0.00 -1.33 0.00 0.00 58.87 58.04 1wf0 n SER 86 Cb 0.24 -1.15 -0.10 0.00 -0.75 0.00 0.00 64.21 62.45 1wf0 n SER 86 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wf0 n SER 87 N 4.50 1.25 0.00 -3.46 7.64 -1.26 -5.06 113.62 117.23 1wf0 n SER 87 Ca 0.24 0.80 0.00 0.00 1.01 0.00 0.00 58.87 60.92 1wf0 n SER 87 Cb 0.15 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 1wf0 n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64