#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 0.00 -2.52 1.61 7.64 -1.26 -5.08 113.62 114.01 1wf0 n SER 2 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 1wf0 n SER 2 Cb 0.00 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.30 1wf0 n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1wf0 n SER 3 N 0.00 -1.36 -3.61 6.43 3.41 -1.26 -5.15 113.62 112.08 1wf0 n SER 3 Ca 0.00 -2.07 -0.04 0.00 -0.26 0.00 0.00 58.87 56.50 1wf0 n SER 3 Cb 0.00 0.71 -0.02 0.00 -0.26 0.00 0.00 64.21 64.63 1wf0 n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wf0 s GLY 4 N -0.92 -0.22 0.24 5.00 0.00 -1.26 -5.18 107.32 104.97 1wf0 s GLY 4 Ca 0.11 1.84 -0.08 0.00 0.00 0.00 0.00 44.72 46.59 1wf0 s GLY 4 CO -0.09 0.64 0.37 -0.56 0.00 0.00 0.00 173.10 173.46 1wf0 s SER 5 N -1.98 0.10 -0.40 1.64 0.01 -1.26 -5.04 113.70 106.77 1wf0 s SER 5 Ca 0.10 -1.14 0.04 0.00 1.31 0.00 0.00 55.95 56.26 1wf0 s SER 5 Cb -0.01 0.53 0.60 0.00 0.21 0.00 0.00 66.02 67.35 1wf0 s SER 5 CO -0.04 -1.06 1.82 -1.54 0.41 0.00 0.00 173.24 172.83 1wf0 n SER 6 N -0.46 3.70 -4.17 2.44 3.41 -1.26 -4.83 113.62 112.45 1wf0 n SER 6 Ca -0.00 -3.43 -0.32 0.00 -0.26 0.00 0.00 58.87 54.86 1wf0 n SER 6 Cb 0.63 -0.80 -0.17 0.00 -0.26 0.00 0.00 64.21 63.61 1wf0 n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wf0 s GLY 7 N -1.05 1.34 0.16 5.00 0.00 -1.26 -1.65 107.32 109.85 1wf0 s GLY 7 Ca 0.51 -1.05 0.09 0.00 0.00 0.00 0.00 44.72 44.27 1wf0 s GLY 7 CO 0.10 -0.05 -0.21 -1.34 0.00 0.00 0.00 173.10 171.59 1wf0 s VAL 8 N 0.76 1.98 -0.25 1.40 -7.23 -1.10 -3.97 120.40 111.99 1wf0 s VAL 8 Ca -0.09 -1.85 -0.12 0.00 -1.81 0.00 0.00 61.98 58.11 1wf0 s VAL 8 Cb -0.16 -1.87 -0.05 0.00 0.56 0.00 0.00 36.38 34.86 1wf0 s VAL 8 CO -0.00 -0.17 0.23 -0.36 -0.31 0.00 0.00 175.10 174.49 1wf0 s PHE 9 N -1.65 3.28 -1.05 2.82 0.08 0.15 -2.74 117.98 118.87 1wf0 s PHE 9 Ca 0.15 0.26 -0.11 0.00 0.12 0.00 0.00 56.93 57.35 1wf0 s PHE 9 Cb -0.08 -2.38 0.26 0.00 -0.57 0.00 0.00 43.02 40.25 1wf0 s PHE 9 CO 0.07 -0.07 1.05 0.08 -0.10 0.00 0.00 175.22 176.25 1wf0 s VAL 10 N 1.49 5.84 0.00 -0.44 1.01 -0.20 -3.33 120.40 124.76 1wf0 s VAL 10 Ca 0.10 -3.11 0.00 0.00 0.00 0.00 0.00 61.98 58.96 1wf0 s VAL 10 Cb -0.15 -4.59 0.00 0.00 0.00 0.00 0.00 36.38 31.64 1wf0 s VAL 10 CO 0.08 -1.18 0.00 0.61 0.00 0.00 0.00 175.10 174.61 1wf0 n GLY 11 N 3.14 -2.19 2.08 4.51 0.00 -1.26 -2.75 105.19 108.72 1wf0 n GLY 11 Ca 0.22 -1.47 -0.14 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.20 -1.32 -2.18 1.61 1.74 -0.08 -4.31 116.66 110.93 1wf0 n ARG 12 Ca 0.00 0.81 -0.28 0.00 -0.77 0.00 0.00 57.85 57.62 1wf0 n ARG 12 Cb 0.00 -5.06 0.16 0.00 -1.02 0.00 0.00 32.46 26.54 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 -3.64 0.30 0.24 0.00 -4.23 -1.26 -4.54 115.64 102.51 1wf0 s THR 14 Ca 0.72 -0.33 -0.07 0.00 -1.18 0.00 0.00 61.69 60.83 1wf0 s THR 14 Cb -0.04 -0.29 0.27 0.00 1.34 0.00 0.00 72.50 73.78 1wf0 s THR 14 CO 0.50 -0.03 1.64 1.23 -0.54 0.00 0.00 174.62 177.42 1wf0 h GLY 15 N 5.75 0.82 -0.96 3.99 0.00 -1.98 -1.73 103.07 108.95 1wf0 h GLY 15 Ca -0.28 0.10 0.11 0.00 0.00 0.00 0.00 47.33 47.26 1wf0 h GLY 15 CO 0.48 -0.27 -0.49 1.34 0.00 0.00 0.00 176.54 177.60 1wf0 n ASP 16 N -5.33 -0.86 -4.39 0.19 -0.08 -1.26 -4.52 116.55 100.29 1wf0 n ASP 16 Ca 0.13 1.69 -0.44 0.00 -1.51 0.00 0.00 54.79 54.66 1wf0 n ASP 16 Cb 0.46 -0.29 -0.01 0.00 2.34 0.00 0.00 41.12 43.62 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 -5.29 0.25 -4.91 -0.67 2.81 -0.65 -4.97 117.12 103.69 1wf0 n MET 17 Ca 0.05 0.09 -0.28 0.00 -1.81 0.00 0.00 57.70 55.75 1wf0 n MET 17 Cb 0.30 -1.19 -0.15 0.00 -0.71 0.00 0.00 33.22 31.47 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 -1.36 1.91 0.31 2.03 -4.23 -1.26 -4.98 115.64 108.06 1wf0 s THR 18 Ca 0.62 -1.22 0.18 0.00 -1.18 0.00 0.00 61.69 60.10 1wf0 s THR 18 Cb -0.73 -1.63 0.30 0.00 1.34 0.00 0.00 72.50 71.79 1wf0 s THR 18 CO 0.59 0.37 1.31 -0.62 -0.54 0.00 0.00 174.62 175.73 1wf0 n GLU 19 N 2.02 -0.05 0.31 3.99 1.02 -1.26 0.58 120.64 127.25 1wf0 n GLU 19 Ca -0.17 1.14 -0.17 0.00 -0.02 0.00 0.00 57.16 57.94 1wf0 n GLU 19 Cb 0.52 -2.07 -0.09 0.00 -0.02 0.00 0.00 31.44 29.79 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 -0.97 -0.46 1.62 1.82 -1.95 0.43 116.42 116.91 1wf0 h ASP 20 Ca 0.71 0.06 0.07 0.00 -0.39 0.00 0.00 57.03 57.49 1wf0 h ASP 20 Cb 1.93 0.30 -0.09 0.00 0.68 0.00 0.00 39.33 42.14 1wf0 h ASP 20 CO -0.62 -0.57 -0.45 -0.33 -1.61 0.00 0.00 179.24 175.67 1wf0 h GLU 21 N -0.89 -0.29 -0.81 0.28 4.39 -0.26 0.28 114.58 117.28 1wf0 h GLU 21 Ca -0.06 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1wf0 h GLU 21 Cb 0.74 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.42 1wf0 h GLU 21 CO 0.03 -0.19 0.40 -0.07 -1.16 0.00 0.00 179.01 178.02 1wf0 h LEU 22 N -0.30 1.04 -1.35 1.33 3.38 -1.40 0.55 115.31 118.56 1wf0 h LEU 22 Ca 0.14 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1wf0 h LEU 22 Cb 0.58 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1wf0 h LEU 22 CO -0.62 0.87 0.44 -0.09 0.09 0.00 0.00 178.44 179.13 1wf0 h ARG 23 N 1.15 0.87 0.00 1.13 2.43 0.19 -0.72 114.38 119.43 1wf0 h ARG 23 Ca 0.28 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.36 1wf0 h ARG 23 Cb 0.09 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1wf0 h ARG 23 CO -0.04 0.58 -1.13 -1.91 -1.51 0.00 0.00 179.97 175.96 1wf0 n GLU 24 N -4.43 0.61 -0.05 0.20 4.07 0.78 -3.00 120.64 118.82 1wf0 n GLU 24 Ca 0.07 0.14 -0.16 0.00 -0.06 0.00 0.00 57.16 57.14 1wf0 n GLU 24 Cb 0.04 -1.81 -0.06 0.00 -0.06 0.00 0.00 31.44 29.55 1wf0 n GLU 24 CO 0.00 0.00 0.00 0.35 -0.06 0.00 0.00 177.13 177.42 1wf0 h PHE 25 N 0.00 1.07 0.00 4.31 3.57 0.78 -3.15 116.94 123.52 1wf0 h PHE 25 Ca -0.04 -0.43 0.00 0.00 3.53 0.00 0.00 57.97 61.03 1wf0 h PHE 25 Cb 1.14 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.70 1wf0 h PHE 25 CO 0.00 1.26 -0.48 1.19 -2.23 0.00 0.00 178.31 178.05 1wf0 n PHE 26 N -4.00 0.46 0.22 0.41 3.72 -0.34 -3.83 117.46 114.09 1wf0 n PHE 26 Ca -0.06 0.13 0.18 0.00 -0.05 0.00 0.00 57.45 57.65 1wf0 n PHE 26 Cb 0.68 -0.60 0.85 0.00 -0.94 0.00 0.00 39.48 39.47 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 0.77 4.37 4.64 -1.48 0.12 113.55 121.96 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 0.68 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.75 1wf0 h SER 27 CO 0.00 0.00 -1.24 0.06 -0.87 0.00 0.00 176.83 174.78 1wf0 h GLN 28 N 0.00 0.09 -0.00 4.77 3.07 -1.72 -3.35 115.11 117.97 1wf0 h GLN 28 Ca 0.08 -0.16 -0.09 0.00 0.09 0.00 0.00 58.65 58.57 1wf0 h GLN 28 Cb 0.53 0.06 0.01 0.00 0.08 0.00 0.00 27.48 28.16 1wf0 h GLN 28 CO -0.00 0.99 -0.35 1.88 0.09 0.00 0.00 178.83 181.44 1wf0 h TYR 29 N 0.03 0.36 -2.43 0.06 -1.99 -1.05 -3.49 116.97 108.45 1wf0 h TYR 29 Ca -0.11 -0.19 0.16 0.00 2.00 0.00 0.00 58.73 60.59 1wf0 h TYR 29 Cb 1.88 -0.04 -0.07 0.00 2.00 0.00 0.00 36.73 40.51 1wf0 h TYR 29 CO 0.02 0.99 0.48 0.20 -0.00 0.00 0.00 178.16 179.85 1wf0 s GLY 30 N -3.95 -0.14 -1.11 3.88 0.00 -0.24 -5.06 107.32 100.69 1wf0 s GLY 30 Ca -0.15 -0.01 -0.24 0.00 0.00 0.00 0.00 44.72 44.31 1wf0 s GLY 30 CO 0.76 0.33 2.01 0.99 0.00 0.00 0.00 173.10 177.20 1wf0 s ASP 31 N -3.02 4.51 -0.72 1.64 1.11 -1.26 -4.08 116.67 114.85 1wf0 s ASP 31 Ca 0.14 -1.29 -0.26 0.00 0.18 0.00 0.00 52.55 51.32 1wf0 s ASP 31 Cb -0.02 -2.59 -0.07 0.00 1.07 0.00 0.00 42.92 41.31 1wf0 s ASP 31 CO 0.03 -3.59 2.16 0.54 1.18 0.00 0.00 175.17 175.50 1wf0 s VAL 32 N 12.90 3.21 0.17 -1.27 0.11 -1.26 -0.33 120.40 133.92 1wf0 s VAL 32 Ca 0.73 -0.07 -0.22 0.00 -2.93 0.00 0.00 61.98 59.50 1wf0 s VAL 32 Cb -0.03 -3.49 0.05 0.00 -1.53 0.00 0.00 36.38 31.38 1wf0 s VAL 32 CO 0.13 -0.47 1.37 0.23 -3.33 0.00 0.00 175.10 173.03 1wf0 n MET 33 N 8.95 -0.31 -3.78 1.54 2.81 0.40 -4.79 117.12 121.93 1wf0 n MET 33 Ca 0.37 1.35 -0.04 0.00 -1.81 0.00 0.00 57.70 57.57 1wf0 n MET 33 Cb 0.49 -1.99 -0.01 0.00 -0.71 0.00 0.00 33.22 31.00 1wf0 n MET 33 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1wf0 s ASP 34 N -5.39 -0.14 -0.13 7.83 -1.08 -0.99 -5.02 116.67 111.76 1wf0 s ASP 34 Ca -0.11 -0.47 -0.04 0.00 -0.52 0.00 0.00 52.55 51.40 1wf0 s ASP 34 Cb 0.13 0.50 0.05 0.00 -1.46 0.00 0.00 42.92 42.15 1wf0 s ASP 34 CO 0.58 -0.94 0.09 -0.69 0.52 0.00 0.00 175.17 174.72 1wf0 s VAL 35 N -3.09 -0.11 0.20 1.11 1.01 -1.26 -0.67 120.40 117.59 1wf0 s VAL 35 Ca 0.14 0.05 0.08 0.00 0.00 0.00 0.00 61.98 62.25 1wf0 s VAL 35 Cb -0.02 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 1wf0 s VAL 35 CO 0.03 -0.12 -0.03 0.12 0.00 0.00 0.00 175.10 175.10 1wf0 s PHE 36 N 2.16 2.74 -0.41 5.22 5.36 -0.64 -4.83 117.98 127.57 1wf0 s PHE 36 Ca 0.03 -0.18 0.04 0.00 -0.96 0.00 0.00 56.93 55.85 1wf0 s PHE 36 Cb -0.15 -1.31 0.11 0.00 -0.34 0.00 0.00 43.02 41.34 1wf0 s PHE 36 CO -0.07 0.54 0.14 0.42 -1.46 0.00 0.00 175.22 174.78 1wf0 s ILE 37 N -1.85 2.46 0.34 3.12 1.01 -1.26 -2.38 121.20 122.64 1wf0 s ILE 37 Ca 0.27 -2.69 -0.28 0.00 0.00 0.00 0.00 60.65 57.96 1wf0 s ILE 37 Cb -0.08 -2.77 -0.10 0.00 0.01 0.00 0.00 42.46 39.52 1wf0 s ILE 37 CO 0.18 -0.68 1.22 -2.16 0.00 0.00 0.00 174.94 173.49 1wf0 s PRO 38 N 0.48 4.34 0.16 2.79 0.04 -1.26 -4.92 135.00 136.62 1wf0 s PRO 38 Ca 0.13 2.01 0.07 0.00 0.04 0.00 0.00 61.00 63.25 1wf0 s PRO 38 Cb -0.22 -2.99 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 1wf0 s PRO 38 CO -0.05 -0.13 -0.03 0.15 0.04 0.00 0.00 177.00 176.98 1wf0 s LYS 39 N -1.85 2.31 0.10 4.56 1.02 -1.26 -2.99 119.74 121.64 1wf0 s LYS 39 Ca 0.50 -1.10 -0.31 0.00 0.02 0.00 0.00 55.97 55.08 1wf0 s LYS 39 Cb -0.35 -2.33 -0.07 0.00 -0.52 0.00 0.00 37.83 34.55 1wf0 s LYS 39 CO 0.46 0.47 1.37 -1.25 -0.92 0.00 0.00 175.35 175.48 1wf0 s PRO 40 N -2.75 4.33 -0.15 -1.68 0.04 -1.26 -5.01 135.00 128.51 1wf0 s PRO 40 Ca 0.26 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.04 1wf0 s PRO 40 Cb -0.10 -3.28 -0.05 0.00 0.04 0.00 0.00 34.50 31.11 1wf0 s PRO 40 CO 0.17 -0.43 1.84 0.12 0.04 0.00 0.00 177.00 178.75 1wf0 s PHE 41 N 1.20 1.68 -0.78 0.56 2.19 -1.16 -4.94 117.98 116.74 1wf0 s PHE 41 Ca 0.64 0.29 0.01 0.00 0.33 0.00 0.00 56.93 58.20 1wf0 s PHE 41 Cb -0.36 -4.03 0.19 0.00 -1.31 0.00 0.00 43.02 37.51 1wf0 s PHE 41 CO 0.30 -3.86 0.61 0.50 1.83 0.00 0.00 175.22 174.60 1wf0 s ARG 42 N 5.00 2.84 -0.19 10.12 3.52 -1.26 -4.81 118.95 134.16 1wf0 s ARG 42 Ca 0.82 -3.21 -0.02 0.00 -0.13 0.00 0.00 55.73 53.18 1wf0 s ARG 42 Cb -0.31 -3.70 0.02 0.00 -1.56 0.00 0.00 34.95 29.40 1wf0 s ARG 42 CO 0.33 -1.26 0.06 0.00 -0.81 0.00 0.00 175.30 173.63 1wf0 n ALA 43 N 2.32 -0.89 -3.22 6.12 0.00 -1.26 -4.82 120.51 118.76 1wf0 n ALA 43 Ca 0.19 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.48 1wf0 n ALA 43 Cb 0.36 -0.64 -0.09 0.00 0.00 0.00 0.00 19.45 19.08 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 -1.88 -0.22 0.13 0.00 -0.71 -1.26 -0.75 117.98 113.29 1wf0 s PHE 44 Ca 0.09 0.41 0.01 0.00 -1.04 0.00 0.00 56.93 56.39 1wf0 s PHE 44 Cb -0.05 0.09 -0.04 0.00 -1.21 0.00 0.00 43.02 41.81 1wf0 s PHE 44 CO 0.10 -0.32 0.00 0.00 -1.34 0.00 0.00 175.22 173.67 1wf0 s ALA 45 N -0.90 1.03 -0.14 1.99 0.00 -1.11 -4.79 121.76 117.84 1wf0 s ALA 45 Ca -0.10 -1.46 -0.01 0.00 0.00 0.00 0.00 51.96 50.39 1wf0 s ALA 45 Cb -0.05 0.53 -0.02 0.00 0.00 0.00 0.00 23.12 23.58 1wf0 s ALA 45 CO 0.03 -0.36 -0.10 0.12 0.00 0.00 0.00 175.76 175.45 1wf0 s PHE 46 N -3.80 2.88 -0.04 0.00 5.36 -1.00 -1.04 117.98 120.35 1wf0 s PHE 46 Ca 0.19 -0.53 0.04 0.00 -0.96 0.00 0.00 56.93 55.67 1wf0 s PHE 46 Cb 0.07 -1.88 -0.00 0.00 -0.34 0.00 0.00 43.02 40.87 1wf0 s PHE 46 CO -0.00 -0.15 -0.14 0.08 -1.46 0.00 0.00 175.22 173.54 1wf0 s VAL 47 N 0.34 1.22 -0.12 3.12 1.01 -1.11 -1.63 120.40 123.23 1wf0 s VAL 47 Ca -0.09 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 1wf0 s VAL 47 Cb -0.15 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 1wf0 s VAL 47 CO 0.05 0.36 -0.01 -0.89 0.00 0.00 0.00 175.10 174.61 1wf0 s THR 48 N 0.10 4.22 0.20 3.92 2.01 0.15 -2.71 115.64 123.53 1wf0 s THR 48 Ca -0.04 -0.26 0.08 0.00 0.31 0.00 0.00 61.69 61.78 1wf0 s THR 48 Cb -0.11 -2.81 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 1wf0 s THR 48 CO 0.02 0.56 0.02 -0.36 -0.69 0.00 0.00 174.62 174.17 1wf0 s PHE 49 N -0.37 2.85 0.12 4.92 0.08 -0.66 -0.45 117.98 124.47 1wf0 s PHE 49 Ca 0.07 -0.15 0.17 0.00 0.12 0.00 0.00 56.93 57.14 1wf0 s PHE 49 Cb -0.12 -1.35 0.50 0.00 -0.57 0.00 0.00 43.02 41.49 1wf0 s PHE 49 CO 0.02 0.54 1.65 0.00 -0.10 0.00 0.00 175.22 177.33 1wf0 h ALA 50 N 2.39 0.91 -3.19 5.36 0.00 -1.02 -3.42 119.26 120.30 1wf0 h ALA 50 Ca -0.47 -0.41 -0.61 0.00 0.00 0.00 0.00 54.91 53.43 1wf0 h ALA 50 Cb 1.22 -0.07 -0.35 0.00 0.00 0.00 0.00 17.79 18.58 1wf0 h ALA 50 CO 0.59 0.56 -0.84 0.34 0.00 0.00 0.00 179.25 179.90 1wf0 s ASP 51 N -6.49 2.65 0.61 0.00 -1.08 -1.26 -4.99 116.67 106.11 1wf0 s ASP 51 Ca 0.01 -0.48 0.36 0.00 -0.52 0.00 0.00 52.55 51.91 1wf0 s ASP 51 Cb 0.10 -1.19 2.02 0.00 -1.46 0.00 0.00 42.92 42.40 1wf0 s ASP 51 CO 0.71 -0.01 2.27 -2.24 0.52 0.00 0.00 175.17 176.42 1wf0 h ASP 52 N 7.70 0.00 1.06 -0.34 3.04 -1.91 -0.08 116.42 125.89 1wf0 h ASP 52 Ca -0.35 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.44 1wf0 h ASP 52 Cb 1.16 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.45 1wf0 h ASP 52 CO 0.52 0.02 0.00 1.56 -2.04 0.00 0.00 179.24 179.30 1wf0 h GLN 53 N 0.00 0.00 0.00 4.15 4.20 -1.94 -2.93 115.11 118.59 1wf0 h GLN 53 Ca -0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1wf0 h GLN 53 Cb 0.07 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1wf0 h GLN 53 CO 0.00 0.00 -0.31 0.82 -0.67 0.00 0.00 178.83 178.67 1wf0 h ILE 54 N 0.00 1.27 -0.19 2.54 1.08 -1.43 -2.87 117.51 117.91 1wf0 h ILE 54 Ca 0.00 -2.06 0.04 0.00 -0.39 0.00 0.00 64.86 62.45 1wf0 h ILE 54 Cb 0.53 2.51 -0.04 0.00 -3.07 0.00 0.00 36.82 36.74 1wf0 h ILE 54 CO 0.00 0.43 -0.09 0.00 -0.69 0.00 0.00 178.15 177.80 1wf0 h ALA 55 N -0.30 0.07 0.30 1.87 0.00 -1.57 -0.38 119.26 119.25 1wf0 h ALA 55 Ca -0.08 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1wf0 h ALA 55 Cb 0.91 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1wf0 h ALA 55 CO -0.05 -0.52 -0.14 1.96 0.00 0.00 0.00 179.25 180.50 1wf0 h GLN 56 N -0.07 -0.38 -0.26 0.00 4.20 -1.69 -0.64 115.11 116.27 1wf0 h GLN 56 Ca 0.10 0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.91 1wf0 h GLN 56 Cb 0.23 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1wf0 h GLN 56 CO -0.24 -0.22 0.30 0.77 -0.67 0.00 0.00 178.83 178.77 1wf0 h SER 57 N -0.45 0.00 0.75 1.46 0.02 -1.28 0.15 113.55 114.20 1wf0 h SER 57 Ca -0.04 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.66 1wf0 h SER 57 Cb 0.34 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 1wf0 h SER 57 CO 0.07 0.00 -1.31 -0.07 -1.14 0.00 0.00 176.83 174.38 1wf0 h LEU 58 N 0.00 0.06 -9.30 5.07 3.38 -0.39 -3.45 115.31 110.69 1wf0 h LEU 58 Ca 0.12 -0.08 -0.66 0.00 0.09 0.00 0.00 57.88 57.35 1wf0 h LEU 58 Cb 0.72 -0.02 0.04 0.00 0.09 0.00 0.00 40.66 41.49 1wf0 h LEU 58 CO -0.00 1.07 0.76 0.00 0.09 0.00 0.00 178.44 180.36 1wf0 n GLY 60 N 3.49 0.59 3.73 0.00 0.00 0.81 -4.98 105.19 108.83 1wf0 n GLY 60 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.80 4.33 -0.37 1.61 0.41 0.59 -4.92 118.70 119.54 1wf0 s GLU 61 Ca 0.00 0.55 -0.19 0.00 -0.41 0.00 0.00 54.97 54.91 1wf0 s GLU 61 Cb 0.00 -3.41 0.00 0.00 -1.78 0.00 0.00 34.13 28.94 1wf0 s GLU 61 CO 0.00 0.20 0.58 -0.51 -0.49 0.00 0.00 175.26 175.04 1wf0 s ASP 62 N 0.45 6.35 0.09 -0.19 1.11 -1.26 -3.56 116.67 119.66 1wf0 s ASP 62 Ca 0.28 -0.04 0.05 0.00 0.18 0.00 0.00 52.55 53.02 1wf0 s ASP 62 Cb -0.16 -2.30 -0.04 0.00 1.07 0.00 0.00 42.92 41.49 1wf0 s ASP 62 CO 0.12 -0.58 -0.03 -0.76 1.18 0.00 0.00 175.17 175.10 1wf0 s LEU 63 N 2.58 3.33 -0.20 1.23 1.43 -1.12 -4.92 118.68 121.01 1wf0 s LEU 63 Ca 0.21 -0.23 -0.06 0.00 -1.03 0.00 0.00 54.13 53.02 1wf0 s LEU 63 Cb -0.15 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 1wf0 s LEU 63 CO 0.15 0.18 0.03 -0.63 0.23 0.00 0.00 176.35 176.32 1wf0 s ILE 64 N -1.27 4.33 -0.24 -0.59 -1.09 -1.26 -0.68 121.20 120.40 1wf0 s ILE 64 Ca 0.24 -0.19 0.01 0.00 -2.23 0.00 0.00 60.65 58.49 1wf0 s ILE 64 Cb -0.11 -2.96 0.06 0.00 -1.58 0.00 0.00 42.46 37.86 1wf0 s ILE 64 CO 0.16 0.43 -0.06 -0.63 -1.23 0.00 0.00 174.94 173.61 1wf0 s ILE 65 N 0.83 1.65 0.00 2.92 1.01 0.10 -4.70 121.20 123.02 1wf0 s ILE 65 Ca 0.02 -1.33 0.00 0.00 0.00 0.00 0.00 60.65 59.34 1wf0 s ILE 65 Cb -0.14 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.43 1wf0 s ILE 65 CO 0.02 -0.11 0.00 0.29 0.00 0.00 0.00 174.94 175.14 1wf0 n LYS 66 N 4.62 -0.16 0.00 2.79 5.02 -1.26 -2.66 118.16 126.51 1wf0 n LYS 66 Ca -0.12 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1wf0 n LYS 66 Cb 0.44 -3.66 0.00 0.00 -0.02 0.00 0.00 35.03 31.79 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 -1.83 3.97 3.83 0.72 0.00 -1.26 -5.12 105.19 105.51 1wf0 n GLY 67 Ca 0.00 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.75 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 0.00 4.24 -0.06 -0.61 -5.25 -1.09 -4.96 121.20 113.47 1wf0 s ILE 68 Ca 0.00 0.79 0.00 0.00 -0.99 0.00 0.00 60.65 60.45 1wf0 s ILE 68 Cb 0.00 -3.56 -0.03 0.00 2.95 0.00 0.00 42.46 41.82 1wf0 s ILE 68 CO 0.00 -0.89 -0.04 -0.55 -1.79 0.00 0.00 174.94 171.67 1wf0 s SER 69 N -3.73 4.87 0.21 4.36 0.15 -1.26 0.01 113.70 118.31 1wf0 s SER 69 Ca 0.58 0.02 0.11 0.00 0.70 0.00 0.00 55.95 57.36 1wf0 s SER 69 Cb -0.13 -1.27 -0.05 0.00 -1.71 0.00 0.00 66.02 62.87 1wf0 s SER 69 CO 0.51 0.35 -0.22 0.68 1.20 0.00 0.00 173.24 175.75 1wf0 s VAL 70 N -0.88 2.33 -0.30 4.45 -7.23 0.14 -4.82 120.40 114.10 1wf0 s VAL 70 Ca 0.14 -2.12 -0.01 0.00 -1.81 0.00 0.00 61.98 58.17 1wf0 s VAL 70 Cb -0.11 -2.15 0.05 0.00 0.56 0.00 0.00 36.38 34.73 1wf0 s VAL 70 CO 0.03 -0.21 -0.01 -2.28 -0.31 0.00 0.00 175.10 172.32 1wf0 s HIS 71 N -1.93 3.27 -0.05 2.82 5.65 -1.26 -2.78 115.29 121.01 1wf0 s HIS 71 Ca 0.23 -1.92 -0.30 0.00 0.25 0.00 0.00 55.06 53.32 1wf0 s HIS 71 Cb -0.07 -2.10 -0.03 0.00 -1.18 0.00 0.00 32.58 29.20 1wf0 s HIS 71 CO 0.11 -0.81 1.15 0.42 -0.65 0.00 0.00 174.74 174.96 1wf0 s ILE 72 N 1.24 4.37 -0.08 0.89 -1.09 -1.23 -4.05 121.20 121.24 1wf0 s ILE 72 Ca -0.05 1.69 -0.05 0.00 -2.23 0.00 0.00 60.65 60.00 1wf0 s ILE 72 Cb -0.20 -4.08 0.04 0.00 -1.58 0.00 0.00 42.46 36.63 1wf0 s ILE 72 CO -0.01 0.02 0.20 -0.55 -1.23 0.00 0.00 174.94 173.36 1wf0 s SER 73 N 1.33 -0.19 -0.45 3.58 0.15 -1.21 -0.14 113.70 116.78 1wf0 s SER 73 Ca 0.54 0.41 -0.23 0.00 0.70 0.00 0.00 55.95 57.37 1wf0 s SER 73 Cb -0.24 0.33 0.02 0.00 -1.71 0.00 0.00 66.02 64.43 1wf0 s SER 73 CO 0.22 -0.13 0.80 0.21 1.20 0.00 0.00 173.24 175.54 1wf0 s ASN 74 N 0.87 6.43 0.06 5.45 3.84 -1.26 -0.67 114.94 129.65 1wf0 s ASN 74 Ca -0.06 -0.06 0.04 0.00 0.21 0.00 0.00 52.86 52.99 1wf0 s ASN 74 Cb -0.08 -2.39 -0.03 0.00 -0.55 0.00 0.00 41.25 38.20 1wf0 s ASN 74 CO -0.05 -0.92 -0.12 0.00 -2.79 0.00 0.00 177.10 173.22 1wf0 s ALA 75 N 3.32 0.96 -0.34 1.71 0.00 -1.25 -5.00 121.76 121.16 1wf0 s ALA 75 Ca 0.31 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 51.36 1wf0 s ALA 75 Cb -0.12 -0.06 0.13 0.00 0.00 0.00 0.00 23.12 23.08 1wf0 s ALA 75 CO 0.23 0.11 0.19 -1.21 0.00 0.00 0.00 175.76 175.08 1wf0 s GLU 76 N -1.63 0.47 0.57 0.00 0.41 -1.26 -4.82 118.70 112.44 1wf0 s GLU 76 Ca -0.04 -1.16 -0.18 0.00 -0.41 0.00 0.00 54.97 53.17 1wf0 s GLU 76 Cb -0.10 -1.27 -0.05 0.00 -1.78 0.00 0.00 34.13 30.94 1wf0 s GLU 76 CO 0.02 -1.17 1.13 -1.25 -0.49 0.00 0.00 175.26 173.49 1wf0 s PRO 77 N 1.29 3.23 0.35 0.39 0.04 -1.26 -5.02 135.00 134.02 1wf0 s PRO 77 Ca 0.16 1.56 -0.25 0.00 0.04 0.00 0.00 61.00 62.51 1wf0 s PRO 77 Cb -0.22 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.23 1wf0 s PRO 77 CO -0.07 -0.94 0.96 0.21 0.04 0.00 0.00 177.00 177.20 1wf0 s LYS 78 N -3.47 4.48 0.50 4.56 2.20 -1.26 -4.83 119.74 121.92 1wf0 s LYS 78 Ca 0.71 1.32 0.00 0.00 -0.36 0.00 0.00 55.97 57.64 1wf0 s LYS 78 Cb -0.23 -2.67 0.00 0.00 -1.51 0.00 0.00 37.83 33.42 1wf0 s LYS 78 CO 0.30 0.18 0.00 0.72 -0.36 0.00 0.00 175.35 176.19 1wf0 n HIS 79 N 0.30 -4.20 -3.34 4.03 8.25 -1.26 -5.02 115.22 113.98 1wf0 n HIS 79 Ca 0.03 2.24 -0.11 0.00 -0.26 0.00 0.00 57.72 59.61 1wf0 n HIS 79 Cb 0.51 -3.41 -0.07 0.00 1.12 0.00 0.00 29.99 28.13 1wf0 n HIS 79 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1wf0 s ASN 80 N -3.30 0.72 -0.30 0.41 0.02 -1.26 -5.11 114.94 106.12 1wf0 s ASN 80 Ca 0.00 -0.39 -0.06 0.00 -1.02 0.00 0.00 52.86 51.39 1wf0 s ASN 80 Cb 0.00 0.94 0.18 0.00 0.02 0.00 0.00 41.25 42.39 1wf0 s ASN 80 CO 0.00 -0.36 0.77 -0.44 0.02 0.00 0.00 177.10 177.09 1wf0 s SER 81 N 2.49 -1.04 1.10 -1.22 0.01 -1.26 -5.17 113.70 108.62 1wf0 s SER 81 Ca 0.10 0.72 -0.15 0.00 1.31 0.00 0.00 55.95 57.92 1wf0 s SER 81 Cb -0.13 1.90 0.24 0.00 0.21 0.00 0.00 66.02 68.23 1wf0 s SER 81 CO -0.29 -0.19 1.09 0.20 0.41 0.00 0.00 173.24 174.46 1wf0 s ASN 82 N 2.87 1.73 -0.04 2.44 -0.87 -1.26 -4.89 114.94 114.92 1wf0 s ASN 82 Ca 0.12 1.00 -0.29 0.00 -1.57 0.00 0.00 52.86 52.11 1wf0 s ASN 82 Cb -0.13 -1.53 -0.07 0.00 -0.02 0.00 0.00 41.25 39.50 1wf0 s ASN 82 CO -0.17 -3.66 1.98 -0.44 -2.57 0.00 0.00 177.10 172.23 1wf0 s SER 83 N -3.51 6.24 0.03 -1.22 0.01 -1.26 -4.97 113.70 109.01 1wf0 s SER 83 Ca 0.68 2.41 0.02 0.00 1.31 0.00 0.00 55.95 60.36 1wf0 s SER 83 Cb -0.16 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.52 1wf0 s SER 83 CO 0.58 -1.26 -0.06 -0.83 0.41 0.00 0.00 173.24 172.08 1wf0 s GLY 84 N 5.20 0.40 -0.81 3.44 0.00 -1.26 -5.09 107.32 109.20 1wf0 s GLY 84 Ca 0.89 -0.64 -0.25 0.00 0.00 0.00 0.00 44.72 44.72 1wf0 s GLY 84 CO 0.39 -0.68 1.92 2.56 0.00 0.00 0.00 173.10 177.28 1wf0 s PRO 85 N -1.33 2.58 -0.13 2.90 0.04 -1.26 -4.91 135.00 132.89 1wf0 s PRO 85 Ca -0.10 -0.01 -0.04 0.00 0.04 0.00 0.00 61.00 60.89 1wf0 s PRO 85 Cb -0.09 -4.85 0.05 0.00 0.04 0.00 0.00 34.50 29.65 1wf0 s PRO 85 CO -0.00 -3.17 0.08 -1.12 0.04 0.00 0.00 177.00 172.83 1wf0 s SER 86 N 8.05 1.94 0.00 6.66 0.01 -1.26 -4.96 113.70 124.14 1wf0 s SER 86 Ca 0.69 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.57 1wf0 s SER 86 Cb -0.09 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 65.95 1wf0 s SER 86 CO 0.06 -0.32 0.00 -0.24 0.41 0.00 0.00 173.24 173.15 1wf0 n SER 87 N 5.29 0.00 0.00 2.44 2.88 -1.26 -5.28 113.62 117.68 1wf0 n SER 87 Ca -0.06 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1wf0 n SER 87 Cb 0.49 0.34 0.00 0.00 -0.75 0.00 0.00 64.21 64.29 1wf0 n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42