#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 -1.72 -2.85 1.61 3.41 -1.26 -5.07 113.62 107.74 1wf0 n SER 2 Ca 0.00 -2.59 -0.02 0.00 -0.26 0.00 0.00 58.87 56.00 1wf0 n SER 2 Cb 0.00 1.39 -0.02 0.00 -0.26 0.00 0.00 64.21 65.32 1wf0 n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wf0 n SER 3 N 0.11 -5.03 -3.44 4.04 7.64 -1.26 -4.79 113.62 110.89 1wf0 n SER 3 Ca -0.04 1.12 -0.40 0.00 1.01 0.00 0.00 58.87 60.56 1wf0 n SER 3 Cb 0.74 -3.78 -0.01 0.00 -1.01 0.00 0.00 64.21 60.14 1wf0 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wf0 n GLY 4 N 1.59 4.88 3.61 0.23 0.00 -1.26 -4.84 105.19 109.39 1wf0 n GLY 4 Ca -0.15 -1.87 -0.14 0.00 0.00 0.00 0.00 46.02 43.86 1wf0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wf0 s SER 5 N 1.02 -0.68 -0.55 1.61 0.01 -1.26 -5.11 113.70 108.74 1wf0 s SER 5 Ca 0.59 1.18 0.04 0.00 1.31 0.00 0.00 55.95 59.07 1wf0 s SER 5 Cb 0.18 1.15 0.17 0.00 0.21 0.00 0.00 66.02 67.73 1wf0 s SER 5 CO -0.08 -0.32 0.42 -1.20 0.41 0.00 0.00 173.24 172.47 1wf0 n SER 6 N 2.18 1.21 -3.59 2.44 7.64 -1.26 -4.89 113.62 117.35 1wf0 n SER 6 Ca -0.15 -2.78 -0.11 0.00 1.01 0.00 0.00 58.87 56.85 1wf0 n SER 6 Cb 0.56 -0.65 -0.03 0.00 -1.01 0.00 0.00 64.21 63.07 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 -0.69 -0.35 0.07 0.23 0.00 -1.26 -0.26 107.32 105.05 1wf0 s GLY 7 Ca 0.29 0.10 0.01 0.00 0.00 0.00 0.00 44.72 45.12 1wf0 s GLY 7 CO -0.18 -0.09 -0.05 -1.34 0.00 0.00 0.00 173.10 171.43 1wf0 s VAL 8 N -3.81 0.46 -0.31 1.40 -7.23 -0.39 -4.41 120.40 106.10 1wf0 s VAL 8 Ca 0.05 -1.69 -0.15 0.00 -1.81 0.00 0.00 61.98 58.37 1wf0 s VAL 8 Cb -0.01 -1.36 -0.02 0.00 0.56 0.00 0.00 36.38 35.55 1wf0 s VAL 8 CO -0.08 -0.82 0.38 -0.36 -0.31 0.00 0.00 175.10 173.91 1wf0 s PHE 9 N -3.24 3.22 -1.08 2.82 0.08 0.33 -1.90 117.98 118.21 1wf0 s PHE 9 Ca 0.05 0.19 -0.16 0.00 0.12 0.00 0.00 56.93 57.13 1wf0 s PHE 9 Cb 0.03 -2.66 0.16 0.00 -0.57 0.00 0.00 43.02 39.98 1wf0 s PHE 9 CO -0.06 -0.36 1.28 0.08 -0.10 0.00 0.00 175.22 176.07 1wf0 s VAL 10 N 2.09 4.95 0.58 -0.44 1.01 0.18 -3.17 120.40 125.59 1wf0 s VAL 10 Ca 0.14 -2.22 -0.10 0.00 0.00 0.00 0.00 61.98 59.81 1wf0 s VAL 10 Cb -0.16 -4.84 0.15 0.00 0.00 0.00 0.00 36.38 31.53 1wf0 s VAL 10 CO 0.11 -1.55 0.45 0.61 0.00 0.00 0.00 175.10 174.73 1wf0 n GLY 11 N 4.64 -3.01 3.96 4.51 0.00 -1.23 -2.62 105.19 111.45 1wf0 n GLY 11 Ca 0.30 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 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 -3.23 -0.60 -4.68 1.61 1.74 -0.38 -4.13 116.66 106.98 1wf0 n ARG 12 Ca 0.07 0.26 -0.31 0.00 -0.77 0.00 0.00 57.85 57.10 1wf0 n ARG 12 Cb 0.26 -2.76 -0.09 0.00 -1.02 0.00 0.00 32.46 28.86 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 -2.81 0.54 0.29 0.00 -4.23 -1.26 -4.44 115.64 103.73 1wf0 s THR 14 Ca 0.18 -0.13 0.03 0.00 -1.18 0.00 0.00 61.69 60.59 1wf0 s THR 14 Cb 0.05 -0.56 0.39 0.00 1.34 0.00 0.00 72.50 73.72 1wf0 s THR 14 CO 0.09 0.22 1.47 0.61 -0.54 0.00 0.00 174.62 176.47 1wf0 n GLY 15 N 3.97 -1.23 0.33 3.99 0.00 -1.26 0.28 105.19 111.27 1wf0 n GLY 15 Ca -0.25 0.91 0.16 0.00 0.00 0.00 0.00 46.02 46.84 1wf0 n GLY 15 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wf0 n ASP 16 N -5.36 -0.06 -4.72 1.61 8.00 -1.26 -4.37 116.55 110.39 1wf0 n ASP 16 Ca 0.23 1.63 -0.43 0.00 0.71 0.00 0.00 54.79 56.93 1wf0 n ASP 16 Cb 0.75 -0.61 -0.03 0.00 -0.02 0.00 0.00 41.12 41.22 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 -5.40 2.62 -4.15 -1.24 2.81 0.14 -5.00 117.12 106.90 1wf0 n MET 17 Ca 0.24 0.94 -0.29 0.00 -1.81 0.00 0.00 57.70 56.78 1wf0 n MET 17 Cb 0.79 -2.74 -0.08 0.00 -0.71 0.00 0.00 33.22 30.48 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 0.63 3.93 0.44 2.03 -4.23 -1.26 -4.95 115.64 112.22 1wf0 s THR 18 Ca 0.71 -1.14 0.29 0.00 -1.18 0.00 0.00 61.69 60.37 1wf0 s THR 18 Cb -0.53 -2.92 0.48 0.00 1.34 0.00 0.00 72.50 70.87 1wf0 s THR 18 CO 0.40 0.03 1.64 -0.33 -0.54 0.00 0.00 174.62 175.82 1wf0 h GLU 19 N 3.13 0.11 0.67 3.99 3.07 -1.94 0.12 114.58 123.74 1wf0 h GLU 19 Ca -0.48 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.34 1wf0 h GLU 19 Cb 1.18 -0.03 0.01 0.00 -0.84 0.00 0.00 28.75 29.07 1wf0 h GLU 19 CO 0.59 0.07 -0.32 0.38 -1.40 0.00 0.00 179.01 178.33 1wf0 h ASP 20 N 0.12 -0.76 -0.39 1.42 3.04 -1.94 -0.27 116.42 117.63 1wf0 h ASP 20 Ca 0.79 -0.01 0.04 0.00 -3.24 0.00 0.00 57.03 54.61 1wf0 h ASP 20 Cb 2.47 0.20 -0.05 0.00 -1.04 0.00 0.00 39.33 40.90 1wf0 h ASP 20 CO -0.40 -0.45 -0.30 -0.33 -2.04 0.00 0.00 179.24 175.72 1wf0 h GLU 21 N -1.05 -0.08 -0.63 4.15 5.08 -1.15 0.26 114.58 121.15 1wf0 h GLU 21 Ca -0.09 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.35 1wf0 h GLU 21 Cb 0.72 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.93 1wf0 h GLU 21 CO 0.15 -0.06 0.30 -0.07 -1.00 0.00 0.00 179.01 178.33 1wf0 h LEU 22 N -0.09 0.38 -1.68 1.33 3.38 -1.58 0.18 115.31 117.24 1wf0 h LEU 22 Ca 0.06 0.06 0.14 0.00 0.09 0.00 0.00 57.88 58.23 1wf0 h LEU 22 Cb 0.25 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1wf0 h LEU 22 CO -0.42 0.24 0.46 -0.09 0.09 0.00 0.00 178.44 178.71 1wf0 h ARG 23 N 0.54 0.32 0.00 1.13 2.43 0.84 0.28 114.38 119.91 1wf0 h ARG 23 Ca 0.30 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1wf0 h ARG 23 Cb 0.30 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1wf0 h ARG 23 CO -0.25 0.21 -0.89 1.49 -1.51 0.00 0.00 179.97 179.03 1wf0 h GLU 24 N 0.33 0.00 0.00 0.20 4.81 0.12 -3.00 114.58 117.03 1wf0 h GLU 24 Ca 0.32 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.37 1wf0 h GLU 24 Cb 0.81 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.17 1wf0 h GLU 24 CO -0.08 0.00 -1.03 0.35 -0.73 0.00 0.00 179.01 177.51 1wf0 h PHE 25 N 0.00 0.00 0.00 0.92 3.04 0.20 -3.29 116.94 117.81 1wf0 h PHE 25 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1wf0 h PHE 25 Cb 0.95 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.46 1wf0 h PHE 25 CO 0.00 0.76 -0.80 1.19 -2.02 0.00 0.00 178.31 177.44 1wf0 n PHE 26 N -3.17 0.01 0.26 0.41 3.72 0.69 -4.06 117.46 115.32 1wf0 n PHE 26 Ca -0.04 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.51 1wf0 n PHE 26 Cb 0.87 -0.13 0.65 0.00 -0.94 0.00 0.00 39.48 39.94 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 0.95 4.37 4.64 -1.59 -2.01 113.55 119.90 1wf0 h SER 27 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wf0 h SER 27 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1wf0 h SER 27 CO 0.00 0.08 -0.08 0.00 -0.87 0.00 0.00 176.83 175.96 1wf0 n GLN 28 N -3.25 0.02 -0.12 4.77 10.64 -1.26 -3.94 117.38 124.23 1wf0 n GLN 28 Ca -0.00 0.01 -0.26 0.00 -1.83 0.00 0.00 57.00 54.92 1wf0 n GLN 28 Cb 0.32 -1.52 -0.10 0.00 -0.86 0.00 0.00 30.24 28.08 1wf0 n GLN 28 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1wf0 n TYR 29 N -1.55 0.34 0.00 2.61 4.02 -0.79 -5.09 117.16 116.70 1wf0 n TYR 29 Ca 0.07 0.15 0.00 0.00 -0.01 0.00 0.00 57.90 58.10 1wf0 n TYR 29 Cb 0.35 -1.00 0.00 0.00 -0.02 0.00 0.00 39.34 38.67 1wf0 n TYR 29 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1wf0 n GLY 30 N 1.33 4.50 2.62 2.72 0.00 -1.02 -5.09 105.19 110.26 1wf0 n GLY 30 Ca -0.45 -0.45 -0.28 0.00 0.00 0.00 0.00 46.02 44.84 1wf0 n GLY 30 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wf0 n ASP 31 N 0.00 3.67 -4.55 1.61 -0.08 -1.26 -4.59 116.55 111.34 1wf0 n ASP 31 Ca 0.00 -3.36 -0.30 0.00 -1.51 0.00 0.00 54.79 49.62 1wf0 n ASP 31 Cb 0.00 -0.74 -0.04 0.00 2.34 0.00 0.00 41.12 42.68 1wf0 n ASP 31 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1wf0 s VAL 32 N -2.14 3.10 0.20 5.18 0.11 -1.26 -1.57 120.40 124.02 1wf0 s VAL 32 Ca 0.34 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 59.16 1wf0 s VAL 32 Cb 0.08 -3.26 0.09 0.00 -1.53 0.00 0.00 36.38 31.77 1wf0 s VAL 32 CO -0.06 -0.25 1.55 0.24 -3.33 0.00 0.00 175.10 173.25 1wf0 h MET 33 N 16.42 -0.02 -2.85 1.54 2.86 -1.73 -3.46 114.93 127.70 1wf0 h MET 33 Ca -0.16 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.53 1wf0 h MET 33 Cb 1.16 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.82 1wf0 h MET 33 CO 1.14 -0.01 0.38 -0.51 1.06 0.00 0.00 176.91 178.96 1wf0 s ASP 34 N -5.40 0.00 -0.05 1.22 1.01 -1.22 -5.02 116.67 107.22 1wf0 s ASP 34 Ca -0.13 -0.99 -0.02 0.00 0.71 0.00 0.00 52.55 52.12 1wf0 s ASP 34 Cb 0.16 0.74 0.03 0.00 1.01 0.00 0.00 42.92 44.86 1wf0 s ASP 34 CO 0.67 -1.46 0.08 -0.69 0.21 0.00 0.00 175.17 173.97 1wf0 s VAL 35 N -2.26 -0.13 0.28 -1.27 1.01 -1.26 -1.64 120.40 115.12 1wf0 s VAL 35 Ca 0.18 0.39 0.11 0.00 0.00 0.00 0.00 61.98 62.65 1wf0 s VAL 35 Cb -0.04 -0.17 -0.05 0.00 0.00 0.00 0.00 36.38 36.12 1wf0 s VAL 35 CO 0.09 0.16 -0.09 0.12 0.00 0.00 0.00 175.10 175.39 1wf0 s PHE 36 N 2.08 2.52 -0.37 5.22 5.36 -0.43 -4.85 117.98 127.51 1wf0 s PHE 36 Ca 0.03 -0.28 0.01 0.00 -0.96 0.00 0.00 56.93 55.74 1wf0 s PHE 36 Cb -0.12 -1.12 0.11 0.00 -0.34 0.00 0.00 43.02 41.55 1wf0 s PHE 36 CO -0.04 0.66 0.14 0.42 -1.46 0.00 0.00 175.22 174.94 1wf0 s ILE 37 N -2.41 1.45 -0.16 3.12 1.01 -1.26 -1.85 121.20 121.09 1wf0 s ILE 37 Ca 0.31 -2.08 -0.29 0.00 0.00 0.00 0.00 60.65 58.59 1wf0 s ILE 37 Cb -0.05 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.33 1wf0 s ILE 37 CO 0.18 -0.73 1.57 -2.16 0.00 0.00 0.00 174.94 173.79 1wf0 s PRO 38 N 0.96 3.99 0.35 2.79 0.04 -1.26 -4.90 135.00 136.96 1wf0 s PRO 38 Ca 0.13 1.82 -0.11 0.00 0.04 0.00 0.00 61.00 62.88 1wf0 s PRO 38 Cb -0.20 -3.97 -0.07 0.00 0.04 0.00 0.00 34.50 30.29 1wf0 s PRO 38 CO -0.12 -1.06 0.71 0.15 0.04 0.00 0.00 177.00 176.71 1wf0 s LYS 39 N 4.28 3.81 0.22 4.56 -0.14 -1.26 -3.65 119.74 127.57 1wf0 s LYS 39 Ca 0.69 0.43 -0.30 0.00 -1.36 0.00 0.00 55.97 55.43 1wf0 s LYS 39 Cb -0.27 -2.47 -0.09 0.00 -1.68 0.00 0.00 37.83 33.33 1wf0 s LYS 39 CO 0.27 0.09 1.29 -1.25 -0.76 0.00 0.00 175.35 174.98 1wf0 s PRO 40 N -3.48 4.41 -0.33 -1.68 0.04 -1.26 -5.09 135.00 127.62 1wf0 s PRO 40 Ca 0.50 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.30 1wf0 s PRO 40 Cb -0.10 -3.19 -0.01 0.00 0.04 0.00 0.00 34.50 31.24 1wf0 s PRO 40 CO 0.27 -0.21 1.64 0.12 0.04 0.00 0.00 177.00 178.86 1wf0 s PHE 41 N -0.10 2.06 -0.79 0.56 5.36 -1.24 -4.94 117.98 118.89 1wf0 s PHE 41 Ca 0.55 0.62 -0.02 0.00 -0.96 0.00 0.00 56.93 57.12 1wf0 s PHE 41 Cb -0.36 -4.15 0.20 0.00 -0.34 0.00 0.00 43.02 38.37 1wf0 s PHE 41 CO 0.40 -2.65 0.65 1.03 -1.46 0.00 0.00 175.22 173.19 1wf0 s ARG 42 N 5.20 2.99 -1.04 10.12 0.52 -1.26 -4.80 118.95 130.68 1wf0 s ARG 42 Ca 0.72 -3.03 -0.13 0.00 -0.52 0.00 0.00 55.73 52.77 1wf0 s ARG 42 Cb -0.20 -3.85 0.13 0.00 0.52 0.00 0.00 34.95 31.55 1wf0 s ARG 42 CO 0.32 -1.24 0.33 0.00 0.02 0.00 0.00 175.30 174.73 1wf0 n ALA 43 N 2.71 -0.89 -3.56 2.13 0.00 -1.26 -4.83 120.51 114.82 1wf0 n ALA 43 Ca 0.17 -0.12 -0.14 0.00 0.00 0.00 0.00 53.44 53.35 1wf0 n ALA 43 Cb 0.37 -1.49 -0.07 0.00 0.00 0.00 0.00 19.45 18.26 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 -2.39 -0.71 0.17 0.00 -0.71 -1.26 -0.39 117.98 112.69 1wf0 s PHE 44 Ca 0.46 1.67 0.04 0.00 -1.04 0.00 0.00 56.93 58.06 1wf0 s PHE 44 Cb -0.27 0.27 -0.05 0.00 -1.21 0.00 0.00 43.02 41.76 1wf0 s PHE 44 CO 0.57 -0.39 -0.08 0.00 -1.34 0.00 0.00 175.22 173.97 1wf0 s ALA 45 N 0.11 1.56 -0.25 1.99 0.00 -1.08 -4.81 121.76 119.29 1wf0 s ALA 45 Ca -0.02 -1.56 -0.08 0.00 0.00 0.00 0.00 51.96 50.31 1wf0 s ALA 45 Cb -0.04 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 1wf0 s ALA 45 CO 0.02 -0.12 0.08 0.12 0.00 0.00 0.00 175.76 175.86 1wf0 s PHE 46 N -3.32 3.10 -0.10 0.00 5.36 -0.77 -0.65 117.98 121.60 1wf0 s PHE 46 Ca 0.19 -0.37 0.01 0.00 -0.96 0.00 0.00 56.93 55.80 1wf0 s PHE 46 Cb 0.03 -2.24 -0.02 0.00 -0.34 0.00 0.00 43.02 40.45 1wf0 s PHE 46 CO 0.03 -0.33 -0.12 0.08 -1.46 0.00 0.00 175.22 173.42 1wf0 s VAL 47 N 1.58 3.23 -0.10 3.12 1.01 -0.80 -1.31 120.40 127.13 1wf0 s VAL 47 Ca 0.06 -0.63 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 1wf0 s VAL 47 Cb -0.15 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 1wf0 s VAL 47 CO 0.04 0.56 0.01 -0.89 0.00 0.00 0.00 175.10 174.81 1wf0 s THR 48 N -0.19 4.36 -0.10 3.92 2.01 -0.65 -1.27 115.64 123.72 1wf0 s THR 48 Ca 0.01 -0.22 0.04 0.00 0.31 0.00 0.00 61.69 61.82 1wf0 s THR 48 Cb -0.13 -2.85 0.00 0.00 0.01 0.00 0.00 72.50 69.53 1wf0 s THR 48 CO 0.03 0.58 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.97 1wf0 s PHE 49 N -0.68 2.39 0.50 4.92 0.08 0.64 -2.11 117.98 123.72 1wf0 s PHE 49 Ca 0.11 -0.99 0.36 0.00 0.12 0.00 0.00 56.93 56.53 1wf0 s PHE 49 Cb -0.12 -1.62 1.50 0.00 -0.57 0.00 0.00 43.02 42.22 1wf0 s PHE 49 CO 0.02 -0.41 1.71 0.00 -0.10 0.00 0.00 175.22 176.44 1wf0 h ALA 50 N 6.81 3.08 -4.00 5.36 0.00 -1.58 -3.38 119.26 125.56 1wf0 h ALA 50 Ca -0.22 -0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.00 1wf0 h ALA 50 Cb 1.23 0.12 -0.25 0.00 0.00 0.00 0.00 17.79 18.89 1wf0 h ALA 50 CO 0.48 -1.55 -0.78 -0.51 0.00 0.00 0.00 179.25 176.89 1wf0 s ASP 51 N -4.75 3.90 0.31 0.00 1.11 -1.26 -5.00 116.67 110.98 1wf0 s ASP 51 Ca -0.06 -0.25 0.26 0.00 0.18 0.00 0.00 52.55 52.68 1wf0 s ASP 51 Cb 0.26 -0.89 0.84 0.00 1.07 0.00 0.00 42.92 44.19 1wf0 s ASP 51 CO 0.83 0.32 1.76 -0.78 1.18 0.00 0.00 175.17 178.47 1wf0 h ASP 52 N 5.54 0.00 0.94 0.27 3.58 -1.91 -3.08 116.42 121.78 1wf0 h ASP 52 Ca -0.43 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 56.80 1wf0 h ASP 52 Cb 1.16 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.18 1wf0 h ASP 52 CO 0.50 0.00 -1.03 1.56 -2.88 0.00 0.00 179.24 177.40 1wf0 h GLN 53 N 0.00 0.04 -0.07 0.28 1.08 -1.94 -2.91 115.11 111.58 1wf0 h GLN 53 Ca 0.00 -0.06 -0.17 0.00 -1.45 0.00 0.00 58.65 56.97 1wf0 h GLN 53 Cb 0.66 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.10 1wf0 h GLN 53 CO 0.00 1.02 -0.67 0.82 -0.95 0.00 0.00 178.83 179.05 1wf0 h ILE 54 N 0.01 1.39 -0.14 2.54 2.04 -1.93 0.10 117.51 121.53 1wf0 h ILE 54 Ca -0.03 -2.09 -0.22 0.00 1.00 0.00 0.00 64.86 63.52 1wf0 h ILE 54 Cb 1.79 2.07 0.01 0.00 -0.74 0.00 0.00 36.82 39.95 1wf0 h ILE 54 CO 0.14 0.62 -0.78 0.00 0.00 0.00 0.00 178.15 178.13 1wf0 h ALA 55 N 1.06 0.28 0.02 1.87 0.00 -1.61 -3.06 119.26 117.82 1wf0 h ALA 55 Ca -0.02 -0.60 -0.14 0.00 0.00 0.00 0.00 54.91 54.15 1wf0 h ALA 55 Cb 1.22 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.02 1wf0 h ALA 55 CO 0.11 0.66 -0.55 1.96 0.00 0.00 0.00 179.25 181.43 1wf0 h GLN 56 N 0.50 0.34 -0.15 0.00 4.20 -1.52 -3.06 115.11 115.42 1wf0 h GLN 56 Ca -0.06 -0.39 0.04 0.00 0.06 0.00 0.00 58.65 58.30 1wf0 h GLN 56 Cb 1.42 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.31 1wf0 h GLN 56 CO 0.16 1.09 0.26 1.03 -0.67 0.00 0.00 178.83 180.70 1wf0 h SER 57 N -0.24 0.00 0.30 1.46 0.87 -0.88 -0.15 113.55 114.91 1wf0 h SER 57 Ca -0.08 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.15 1wf0 h SER 57 Cb 1.30 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 63.28 1wf0 h SER 57 CO 0.11 0.00 -1.58 -0.07 -0.53 0.00 0.00 176.83 174.76 1wf0 h LEU 58 N 0.00 0.64 -9.05 2.23 3.38 -1.52 -3.46 115.31 107.52 1wf0 h LEU 58 Ca 0.07 -0.81 -0.78 0.00 0.09 0.00 0.00 57.88 56.44 1wf0 h LEU 58 Cb 0.58 -0.21 0.04 0.00 0.09 0.00 0.00 40.66 41.17 1wf0 h LEU 58 CO -0.00 1.66 0.28 0.00 0.09 0.00 0.00 178.44 180.47 1wf0 n GLY 60 N 2.25 0.57 3.79 0.00 0.00 -0.91 -5.00 105.19 105.90 1wf0 n GLY 60 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.81 4.00 -0.31 1.61 0.41 0.11 -4.98 118.70 118.73 1wf0 s GLU 61 Ca 0.00 0.20 -0.15 0.00 -0.41 0.00 0.00 54.97 54.61 1wf0 s GLU 61 Cb 0.00 -3.31 -0.02 0.00 -1.78 0.00 0.00 34.13 29.01 1wf0 s GLU 61 CO 0.00 0.49 0.38 0.16 -0.49 0.00 0.00 175.26 175.79 1wf0 s ASP 62 N -0.33 6.22 0.04 -0.19 -4.77 -1.26 -3.72 116.67 112.66 1wf0 s ASP 62 Ca 0.20 0.03 0.05 0.00 -3.30 0.00 0.00 52.55 49.52 1wf0 s ASP 62 Cb -0.14 -2.21 -0.04 0.00 -1.09 0.00 0.00 42.92 39.44 1wf0 s ASP 62 CO 0.08 -0.28 -0.10 -0.76 0.70 0.00 0.00 175.17 174.81 1wf0 s LEU 63 N 2.07 2.99 -0.21 2.11 1.43 -1.17 -4.97 118.68 120.94 1wf0 s LEU 63 Ca 0.14 -0.28 -0.07 0.00 -1.03 0.00 0.00 54.13 52.89 1wf0 s LEU 63 Cb -0.16 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 1wf0 s LEU 63 CO 0.11 0.25 0.05 -0.63 0.23 0.00 0.00 176.35 176.36 1wf0 s ILE 64 N -1.04 4.45 -0.21 -0.59 -1.09 -1.26 -1.27 121.20 120.18 1wf0 s ILE 64 Ca 0.18 -0.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.45 1wf0 s ILE 64 Cb -0.11 -3.03 0.05 0.00 -1.58 0.00 0.00 42.46 37.80 1wf0 s ILE 64 CO 0.09 0.41 -0.06 -0.63 -1.23 0.00 0.00 174.94 173.52 1wf0 s ILE 65 N 0.89 1.36 -0.25 2.92 1.01 0.64 -4.71 121.20 123.07 1wf0 s ILE 65 Ca 0.03 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.71 1wf0 s ILE 65 Cb -0.14 -1.58 0.00 0.00 0.01 0.00 0.00 42.46 40.75 1wf0 s ILE 65 CO 0.02 0.01 0.00 0.29 0.00 0.00 0.00 174.94 175.26 1wf0 n LYS 66 N 4.76 -1.24 0.00 2.79 5.02 -1.26 -2.31 118.16 125.92 1wf0 n LYS 66 Ca -0.12 0.44 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 1wf0 n LYS 66 Cb 0.46 -4.43 0.00 0.00 -0.02 0.00 0.00 35.03 31.04 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 -0.56 1.96 3.84 0.72 0.00 -1.26 -5.09 105.19 104.79 1wf0 n GLY 67 Ca -0.02 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.86 4.10 -0.12 -0.61 -5.25 -0.98 -4.99 121.20 112.49 1wf0 s ILE 68 Ca 0.00 0.68 0.01 0.00 -0.99 0.00 0.00 60.65 60.35 1wf0 s ILE 68 Cb 0.00 -3.54 -0.01 0.00 2.95 0.00 0.00 42.46 41.86 1wf0 s ILE 68 CO 0.00 -0.89 -0.15 -0.55 -1.79 0.00 0.00 174.94 171.56 1wf0 s SER 69 N -4.00 3.89 0.18 4.36 0.15 -1.26 -0.26 113.70 116.76 1wf0 s SER 69 Ca 0.57 -0.35 0.09 0.00 0.70 0.00 0.00 55.95 56.96 1wf0 s SER 69 Cb -0.13 -1.51 -0.04 0.00 -1.71 0.00 0.00 66.02 62.63 1wf0 s SER 69 CO 0.54 0.18 -0.08 0.68 1.20 0.00 0.00 173.24 175.76 1wf0 s VAL 70 N 0.25 3.26 -0.28 4.45 -7.23 -0.40 -4.79 120.40 115.66 1wf0 s VAL 70 Ca -0.10 -1.65 -0.02 0.00 -1.81 0.00 0.00 61.98 58.41 1wf0 s VAL 70 Cb -0.16 -2.63 0.04 0.00 0.56 0.00 0.00 36.38 34.19 1wf0 s VAL 70 CO 0.06 -0.13 -0.03 -2.28 -0.31 0.00 0.00 175.10 172.41 1wf0 s HIS 71 N -1.75 3.18 0.10 2.82 2.46 -1.26 -3.02 115.29 117.82 1wf0 s HIS 71 Ca 0.26 -1.73 -0.30 0.00 0.47 0.00 0.00 55.06 53.75 1wf0 s HIS 71 Cb -0.09 -2.08 -0.06 0.00 -0.13 0.00 0.00 32.58 30.22 1wf0 s HIS 71 CO 0.16 -0.77 1.11 0.42 -2.47 0.00 0.00 174.74 173.19 1wf0 s ILE 72 N 1.28 4.12 -0.07 0.89 -1.09 -1.24 -3.50 121.20 121.59 1wf0 s ILE 72 Ca -0.03 1.66 -0.07 0.00 -2.23 0.00 0.00 60.65 59.98 1wf0 s ILE 72 Cb -0.18 -4.06 0.02 0.00 -1.58 0.00 0.00 42.46 36.66 1wf0 s ILE 72 CO -0.03 0.20 0.19 -0.94 -1.23 0.00 0.00 174.94 173.14 1wf0 s SER 73 N 0.48 -0.20 -0.46 3.58 1.04 -1.19 -2.13 113.70 114.82 1wf0 s SER 73 Ca 0.53 0.39 -0.18 0.00 0.48 0.00 0.00 55.95 57.17 1wf0 s SER 73 Cb -0.28 0.39 0.04 0.00 0.10 0.00 0.00 66.02 66.27 1wf0 s SER 73 CO 0.31 -0.07 0.51 0.21 0.98 0.00 0.00 173.24 175.19 1wf0 s ASN 74 N 0.13 6.21 0.03 7.02 3.84 -1.26 -0.52 114.94 130.39 1wf0 s ASN 74 Ca -0.00 -0.84 0.02 0.00 0.21 0.00 0.00 52.86 52.25 1wf0 s ASN 74 Cb -0.02 -2.25 -0.02 0.00 -0.55 0.00 0.00 41.25 38.42 1wf0 s ASN 74 CO 0.00 -0.71 -0.07 0.00 -2.79 0.00 0.00 177.10 173.53 1wf0 s ALA 75 N 2.28 0.51 -0.35 1.71 0.00 -1.26 -5.02 121.76 119.63 1wf0 s ALA 75 Ca 0.13 -0.59 -0.01 0.00 0.00 0.00 0.00 51.96 51.49 1wf0 s ALA 75 Cb -0.19 0.00 0.13 0.00 0.00 0.00 0.00 23.12 23.07 1wf0 s ALA 75 CO 0.12 0.01 0.20 -1.21 0.00 0.00 0.00 175.76 174.88 1wf0 s GLU 76 N -1.13 0.55 0.66 0.00 2.02 -1.26 -4.84 118.70 114.70 1wf0 s GLU 76 Ca -0.07 -1.24 -0.15 0.00 0.02 0.00 0.00 54.97 53.54 1wf0 s GLU 76 Cb -0.08 -1.38 -0.00 0.00 0.10 0.00 0.00 34.13 32.78 1wf0 s GLU 76 CO 0.00 -1.17 1.11 -1.25 0.02 0.00 0.00 175.26 173.98 1wf0 s PRO 77 N 1.21 2.81 0.21 0.39 0.04 -1.26 -5.02 135.00 133.37 1wf0 s PRO 77 Ca 0.16 1.40 -0.24 0.00 0.04 0.00 0.00 61.00 62.36 1wf0 s PRO 77 Cb -0.22 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.29 1wf0 s PRO 77 CO -0.06 -1.25 0.78 0.21 0.04 0.00 0.00 177.00 176.73 1wf0 s LYS 78 N -4.08 4.47 0.00 4.56 2.47 -1.26 -4.86 119.74 121.03 1wf0 s LYS 78 Ca 0.67 1.09 0.00 0.00 -1.56 0.00 0.00 55.97 56.17 1wf0 s LYS 78 Cb -0.21 -3.07 0.00 0.00 -1.46 0.00 0.00 37.83 33.10 1wf0 s LYS 78 CO 0.41 0.47 0.00 -2.39 0.16 0.00 0.00 175.35 174.00 1wf0 n HIS 79 N 1.15 -1.03 -2.68 4.03 1.44 -1.26 -5.11 115.22 111.76 1wf0 n HIS 79 Ca -0.03 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.63 1wf0 n HIS 79 Cb 0.50 0.21 0.00 0.00 0.12 0.00 0.00 29.99 30.82 1wf0 n HIS 79 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1wf0 n ASN 80 N -1.90 -5.08 -3.67 4.39 3.02 -1.26 -4.99 115.26 105.77 1wf0 n ASN 80 Ca 0.00 0.25 -0.08 0.00 -0.03 0.00 0.00 54.58 54.72 1wf0 n ASN 80 Cb 0.00 -1.25 -0.09 0.00 -0.61 0.00 0.00 39.78 37.83 1wf0 n ASN 80 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1wf0 s SER 81 N -0.84 -0.60 0.15 6.41 0.15 -1.26 -5.17 113.70 112.54 1wf0 s SER 81 Ca 0.04 1.11 0.05 0.00 0.70 0.00 0.00 55.95 57.86 1wf0 s SER 81 Cb -0.00 1.18 -0.04 0.00 -1.71 0.00 0.00 66.02 65.45 1wf0 s SER 81 CO 0.10 -0.22 0.11 0.21 1.20 0.00 0.00 173.24 174.64 1wf0 s ASN 82 N 1.88 5.45 -0.12 5.45 3.84 -1.26 -5.12 114.94 125.06 1wf0 s ASN 82 Ca -0.07 -0.13 0.01 0.00 0.21 0.00 0.00 52.86 52.87 1wf0 s ASN 82 Cb -0.09 -1.41 -0.01 0.00 -0.55 0.00 0.00 41.25 39.19 1wf0 s ASN 82 CO -0.15 0.09 -0.14 -0.55 -2.79 0.00 0.00 177.10 173.56 1wf0 s SER 83 N -2.95 3.91 0.00 -4.21 0.15 -1.26 -4.80 113.70 104.54 1wf0 s SER 83 Ca 0.30 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.61 1wf0 s SER 83 Cb -0.10 -1.52 0.00 0.00 -1.71 0.00 0.00 66.02 62.69 1wf0 s SER 83 CO 0.23 0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.46 1wf0 n GLY 84 N 3.42 2.18 3.76 9.45 0.00 -1.26 -5.11 105.19 117.63 1wf0 n GLY 84 Ca -0.18 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 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 0.00 4.44 0.00 1.61 0.04 -1.26 -4.90 135.00 134.93 1wf0 s PRO 85 Ca 0.00 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1wf0 s PRO 85 Cb 0.00 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.40 1wf0 s PRO 85 CO 0.00 -0.11 0.00 0.45 0.04 0.00 0.00 177.00 177.38 1wf0 n SER 86 N 1.52 0.04 -4.55 6.66 2.88 -1.26 -5.02 113.62 113.89 1wf0 n SER 86 Ca 0.02 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.25 1wf0 n SER 86 Cb 0.43 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.83 1wf0 n SER 86 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wf0 n SER 87 N -2.12 1.90 0.00 -3.46 3.41 -1.26 -5.31 113.62 106.79 1wf0 n SER 87 Ca 0.00 -0.66 0.00 0.00 -0.26 0.00 0.00 58.87 57.95 1wf0 n SER 87 Cb 0.01 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 62.45 1wf0 n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49