#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wf0 h SER 2 N 0.00 0.62 -1.71 1.61 0.87 -2.14 -3.42 113.55 109.38 1wf0 h SER 2 Ca 0.00 -0.68 -0.30 0.00 -1.23 0.00 0.00 61.79 59.57 1wf0 h SER 2 Cb 0.00 -0.18 -0.28 0.00 -0.44 0.00 0.00 62.40 61.50 1wf0 h SER 2 CO 0.00 1.20 -0.64 -0.94 -0.53 0.00 0.00 176.83 175.92 1wf0 s SER 3 N -6.74 0.44 -0.33 6.23 1.04 -1.26 -5.11 113.70 107.96 1wf0 s SER 3 Ca -0.13 -1.53 -0.29 0.00 0.48 0.00 0.00 55.95 54.48 1wf0 s SER 3 Cb 0.05 0.88 0.00 0.00 0.10 0.00 0.00 66.02 67.06 1wf0 s SER 3 CO 0.83 -0.22 1.38 -0.83 0.98 0.00 0.00 173.24 175.39 1wf0 s GLY 4 N 1.38 1.25 -0.19 7.32 0.00 -1.26 -4.94 107.32 110.88 1wf0 s GLY 4 Ca 0.19 0.04 -0.35 0.00 0.00 0.00 0.00 44.72 44.60 1wf0 s GLY 4 CO -0.04 2.71 1.96 -1.26 0.00 0.00 0.00 173.10 176.46 1wf0 n SER 5 N 8.20 2.99 -1.61 1.64 2.88 -1.26 -4.84 113.62 121.62 1wf0 n SER 5 Ca 0.16 0.81 -0.08 0.00 -1.33 0.00 0.00 58.87 58.43 1wf0 n SER 5 Cb 0.47 -1.33 0.23 0.00 -0.75 0.00 0.00 64.21 62.84 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 7.55 3.65 -4.80 -3.46 7.64 -1.26 -4.98 113.62 117.96 1wf0 n SER 6 Ca 0.28 -3.47 -0.37 0.00 1.01 0.00 0.00 58.87 56.32 1wf0 n SER 6 Cb 0.27 -0.70 -0.07 0.00 -1.01 0.00 0.00 64.21 62.70 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 -1.74 2.26 0.06 0.23 0.00 -1.26 -3.63 107.32 103.25 1wf0 s GLY 7 Ca 0.50 -0.45 0.09 0.00 0.00 0.00 0.00 44.72 44.86 1wf0 s GLY 7 CO 0.08 0.11 -0.24 -1.34 0.00 0.00 0.00 173.10 171.71 1wf0 s VAL 8 N -0.38 2.40 -0.38 1.40 -7.23 -0.90 -4.18 120.40 111.13 1wf0 s VAL 8 Ca 0.18 -1.41 -0.16 0.00 -1.81 0.00 0.00 61.98 58.78 1wf0 s VAL 8 Cb -0.14 -1.99 0.00 0.00 0.56 0.00 0.00 36.38 34.82 1wf0 s VAL 8 CO 0.06 0.29 0.38 -0.36 -0.31 0.00 0.00 175.10 175.16 1wf0 s PHE 9 N -0.91 3.20 -1.02 2.82 0.08 -0.07 -2.34 117.98 119.74 1wf0 s PHE 9 Ca 0.13 -0.23 -0.18 0.00 0.12 0.00 0.00 56.93 56.77 1wf0 s PHE 9 Cb -0.10 -2.74 0.13 0.00 -0.57 0.00 0.00 43.02 39.74 1wf0 s PHE 9 CO 0.04 -0.55 1.27 0.08 -0.10 0.00 0.00 175.22 175.97 1wf0 s VAL 10 N 2.01 4.65 0.07 -0.44 1.01 -0.47 -3.61 120.40 123.62 1wf0 s VAL 10 Ca 0.11 -1.72 -0.01 0.00 0.00 0.00 0.00 61.98 60.36 1wf0 s VAL 10 Cb -0.17 -4.87 0.02 0.00 0.00 0.00 0.00 36.38 31.36 1wf0 s VAL 10 CO 0.12 -1.62 0.07 0.61 0.00 0.00 0.00 175.10 174.28 1wf0 n GLY 11 N 5.37 -2.08 4.22 4.51 0.00 -1.17 -2.94 105.19 113.11 1wf0 n GLY 11 Ca 0.29 -1.52 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.55 -2.70 -3.97 1.61 1.74 -0.53 -3.78 116.66 107.48 1wf0 n ARG 12 Ca 0.01 0.32 -0.27 0.00 -0.77 0.00 0.00 57.85 57.15 1wf0 n ARG 12 Cb 0.04 -4.80 -0.02 0.00 -1.02 0.00 0.00 32.46 26.65 1wf0 n ARG 12 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1wf0 n THR 14 N -1.55 0.00 0.01 0.00 -2.24 -1.26 -4.39 114.28 104.84 1wf0 n THR 14 Ca -0.08 -2.47 0.01 0.00 -2.27 0.00 0.00 64.05 59.24 1wf0 n THR 14 Cb 0.60 0.89 -0.11 0.00 -2.10 0.00 0.00 70.33 69.61 1wf0 n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wf0 n GLY 15 N -0.92 -1.15 0.37 3.38 0.00 -1.26 -4.18 105.19 101.43 1wf0 n GLY 15 Ca -0.06 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 45.84 1wf0 n GLY 15 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1wf0 h ASP 16 N 0.00 0.55 -4.27 1.61 3.58 -2.07 -3.42 116.42 112.40 1wf0 h ASP 16 Ca -0.19 0.03 -0.52 0.00 0.42 0.00 0.00 57.03 56.77 1wf0 h ASP 16 Cb 1.56 -0.08 0.15 0.00 1.72 0.00 0.00 39.33 42.67 1wf0 h ASP 16 CO 0.03 0.29 0.31 -0.04 -2.88 0.00 0.00 179.24 176.95 1wf0 s MET 17 N -5.57 1.93 0.13 0.28 -1.94 -1.26 -5.06 119.30 107.82 1wf0 s MET 17 Ca -0.09 1.40 0.07 0.00 -1.71 0.00 0.00 55.69 55.35 1wf0 s MET 17 Cb 0.21 -1.84 -0.04 0.00 2.01 0.00 0.00 34.83 35.17 1wf0 s MET 17 CO 0.78 -1.92 -0.15 0.95 -0.01 0.00 0.00 175.02 174.66 1wf0 s THR 18 N -2.62 1.46 0.56 2.05 -4.23 -1.26 -5.01 115.64 106.58 1wf0 s THR 18 Ca 0.65 -1.74 0.33 0.00 -1.18 0.00 0.00 61.69 59.76 1wf0 s THR 18 Cb -0.21 -1.59 0.49 0.00 1.34 0.00 0.00 72.50 72.53 1wf0 s THR 18 CO 0.53 -0.37 1.81 -0.33 -0.54 0.00 0.00 174.62 175.72 1wf0 h GLU 19 N 3.51 0.00 -0.17 3.99 5.08 -1.97 0.27 114.58 125.29 1wf0 h GLU 19 Ca -0.41 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.83 1wf0 h GLU 19 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1wf0 h GLU 19 CO 0.50 0.00 -0.38 -0.44 -1.00 0.00 0.00 179.01 177.69 1wf0 h ASP 20 N 0.00 0.63 0.44 1.42 3.32 -1.95 -1.32 116.42 118.97 1wf0 h ASP 20 Ca 0.45 -0.56 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 1wf0 h ASP 20 Cb 1.96 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 41.32 1wf0 h ASP 20 CO -0.00 1.08 -0.40 -0.33 -1.72 0.00 0.00 179.24 177.87 1wf0 h GLU 21 N 0.21 -0.80 -0.57 3.56 5.08 -0.87 0.45 114.58 121.64 1wf0 h GLU 21 Ca 0.00 0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1wf0 h GLU 21 Cb 0.98 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 1wf0 h GLU 21 CO 0.08 -0.53 0.36 -0.07 -1.00 0.00 0.00 179.01 177.85 1wf0 h LEU 22 N -0.83 0.60 -1.30 1.33 3.38 -1.61 0.17 115.31 117.04 1wf0 h LEU 22 Ca -0.06 -0.01 0.13 0.00 0.09 0.00 0.00 57.88 58.04 1wf0 h LEU 22 Cb 0.70 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.25 1wf0 h LEU 22 CO -0.02 0.43 0.56 -0.09 0.09 0.00 0.00 178.44 179.41 1wf0 h ARG 23 N 0.72 0.69 0.00 1.13 2.43 -1.06 0.36 114.38 118.65 1wf0 h ARG 23 Ca 0.22 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 59.18 1wf0 h ARG 23 Cb -0.03 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 1wf0 h ARG 23 CO -0.07 0.45 -1.00 0.93 -1.51 0.00 0.00 179.97 178.77 1wf0 h GLU 24 N 0.71 0.00 0.00 0.20 5.08 -0.14 -2.89 114.58 117.55 1wf0 h GLU 24 Ca 0.43 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.61 1wf0 h GLU 24 Cb 0.64 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1wf0 h GLU 24 CO -0.19 0.58 -0.81 0.35 -1.00 0.00 0.00 179.01 177.95 1wf0 h PHE 25 N 0.00 0.02 -0.13 4.33 3.57 0.11 -3.09 116.94 121.74 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 1.61 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.35 1wf0 h PHE 25 CO 0.00 0.81 0.00 1.19 -2.23 0.00 0.00 178.31 178.08 1wf0 n PHE 26 N -3.59 0.15 0.53 0.41 3.72 0.11 -4.00 117.46 114.81 1wf0 n PHE 26 Ca -0.01 -0.08 0.13 0.00 -0.05 0.00 0.00 57.45 57.44 1wf0 n PHE 26 Cb 0.78 0.00 0.30 0.00 -0.94 0.00 0.00 39.48 39.62 1wf0 n PHE 26 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1wf0 h SER 27 N 3.68 0.00 1.26 4.37 0.02 -1.42 -3.06 113.55 118.39 1wf0 h SER 27 Ca 0.00 -0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 60.77 1wf0 h SER 27 Cb 0.79 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.31 1wf0 h SER 27 CO 0.00 0.02 -0.77 0.06 -1.14 0.00 0.00 176.83 175.01 1wf0 h GLN 28 N 0.00 0.00 0.04 3.45 3.07 -1.71 -3.35 115.11 116.61 1wf0 h GLN 28 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 58.65 58.60 1wf0 h GLN 28 Cb 0.79 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.34 1wf0 h GLN 28 CO 0.00 0.53 -0.73 1.88 0.09 0.00 0.00 178.83 180.60 1wf0 h TYR 29 N 0.00 0.15 0.00 0.06 -1.99 -1.80 -3.50 116.97 109.90 1wf0 h TYR 29 Ca -0.04 -0.11 0.00 0.00 2.00 0.00 0.00 58.73 60.58 1wf0 h TYR 29 Cb 1.48 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 40.21 1wf0 h TYR 29 CO 0.00 1.28 0.00 0.41 -0.00 0.00 0.00 178.16 179.85 1wf0 n GLY 30 N 1.59 4.66 2.87 3.88 0.00 -1.16 -5.10 105.19 111.93 1wf0 n GLY 30 Ca -0.20 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 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 1.51 4.43 -0.76 1.61 1.11 -1.26 -4.51 116.67 118.80 1wf0 s ASP 31 Ca 0.00 -3.53 -0.26 0.00 0.18 0.00 0.00 52.55 48.94 1wf0 s ASP 31 Cb 0.00 -1.53 -0.07 0.00 1.07 0.00 0.00 42.92 42.39 1wf0 s ASP 31 CO 0.00 -0.14 2.12 0.54 1.18 0.00 0.00 175.17 178.88 1wf0 s VAL 32 N -0.98 3.25 0.21 -1.27 0.11 -1.26 -0.86 120.40 119.61 1wf0 s VAL 32 Ca 0.23 -0.11 -0.09 0.00 -2.93 0.00 0.00 61.98 59.08 1wf0 s VAL 32 Cb -0.11 -3.59 0.31 0.00 -1.53 0.00 0.00 36.38 31.47 1wf0 s VAL 32 CO -0.12 -0.56 1.25 0.23 -3.33 0.00 0.00 175.10 172.57 1wf0 n MET 33 N 8.93 -0.11 -3.78 1.54 2.81 -0.63 -4.75 117.12 121.13 1wf0 n MET 33 Ca 0.38 1.24 -0.02 0.00 -1.81 0.00 0.00 57.70 57.49 1wf0 n MET 33 Cb 0.48 -1.85 -0.00 0.00 -0.71 0.00 0.00 33.22 31.13 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 -5.23 -0.08 -0.08 7.83 2.15 -1.15 -5.03 116.67 115.07 1wf0 s ASP 34 Ca -0.12 -0.42 -0.01 0.00 0.43 0.00 0.00 52.55 52.43 1wf0 s ASP 34 Cb 0.20 0.40 0.03 0.00 -0.30 0.00 0.00 42.92 43.25 1wf0 s ASP 34 CO 0.61 -0.77 -0.00 -0.69 -0.17 0.00 0.00 175.17 174.15 1wf0 s VAL 35 N -2.69 0.43 0.24 1.11 1.01 -1.26 -1.87 120.40 117.37 1wf0 s VAL 35 Ca 0.17 0.06 0.11 0.00 0.00 0.00 0.00 61.98 62.31 1wf0 s VAL 35 Cb -0.00 -0.59 -0.05 0.00 0.00 0.00 0.00 36.38 35.74 1wf0 s VAL 35 CO 0.02 0.24 -0.14 0.12 0.00 0.00 0.00 175.10 175.34 1wf0 s PHE 36 N 1.95 2.46 -0.38 5.22 5.36 -0.49 -4.85 117.98 127.24 1wf0 s PHE 36 Ca 0.05 -0.29 0.02 0.00 -0.96 0.00 0.00 56.93 55.75 1wf0 s PHE 36 Cb -0.12 -1.12 0.11 0.00 -0.34 0.00 0.00 43.02 41.54 1wf0 s PHE 36 CO -0.06 0.62 0.14 0.42 -1.46 0.00 0.00 175.22 174.87 1wf0 s ILE 37 N -2.15 1.82 0.49 3.12 1.01 -1.26 -1.98 121.20 122.25 1wf0 s ILE 37 Ca 0.28 -2.33 -0.22 0.00 0.00 0.00 0.00 60.65 58.38 1wf0 s ILE 37 Cb -0.07 -2.32 -0.07 0.00 0.01 0.00 0.00 42.46 40.01 1wf0 s ILE 37 CO 0.15 -0.71 1.15 -2.16 0.00 0.00 0.00 174.94 173.37 1wf0 s PRO 38 N 0.76 3.61 0.16 2.79 0.04 -1.26 -4.94 135.00 136.15 1wf0 s PRO 38 Ca 0.13 1.71 0.10 0.00 0.04 0.00 0.00 61.00 62.98 1wf0 s PRO 38 Cb -0.21 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 1wf0 s PRO 38 CO -0.09 -0.66 -0.20 0.15 0.04 0.00 0.00 177.00 176.24 1wf0 s LYS 39 N -2.92 1.69 0.21 4.56 -0.14 -1.26 -3.14 119.74 118.74 1wf0 s LYS 39 Ca 0.67 -1.35 -0.30 0.00 -1.36 0.00 0.00 55.97 53.63 1wf0 s LYS 39 Cb -0.27 -1.99 -0.09 0.00 -1.68 0.00 0.00 37.83 33.80 1wf0 s LYS 39 CO 0.32 0.44 1.29 -1.25 -0.76 0.00 0.00 175.35 175.38 1wf0 s PRO 40 N -2.48 4.40 -0.15 -1.68 0.04 -1.26 -5.12 135.00 128.75 1wf0 s PRO 40 Ca 0.20 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 63.00 1wf0 s PRO 40 Cb -0.09 -3.19 -0.01 0.00 0.04 0.00 0.00 34.50 31.26 1wf0 s PRO 40 CO 0.11 -0.21 0.97 0.12 0.04 0.00 0.00 177.00 178.02 1wf0 s PHE 41 N -0.07 3.45 -0.58 0.56 2.19 -1.19 -5.00 117.98 117.35 1wf0 s PHE 41 Ca 0.55 1.48 0.04 0.00 0.33 0.00 0.00 56.93 59.33 1wf0 s PHE 41 Cb -0.36 -3.16 0.16 0.00 -1.31 0.00 0.00 43.02 38.35 1wf0 s PHE 41 CO 0.40 -0.28 0.40 0.50 1.83 0.00 0.00 175.22 178.06 1wf0 s ARG 42 N 2.31 1.84 -1.00 10.12 3.52 -1.26 -4.85 118.95 129.63 1wf0 s ARG 42 Ca 0.45 -2.78 -0.06 0.00 -0.13 0.00 0.00 55.73 53.21 1wf0 s ARG 42 Cb -0.17 -2.71 0.05 0.00 -1.56 0.00 0.00 34.95 30.55 1wf0 s ARG 42 CO 0.14 -1.29 0.26 0.00 -0.81 0.00 0.00 175.30 173.60 1wf0 n ALA 43 N 2.50 -0.98 -3.29 6.12 0.00 -1.26 -4.84 120.51 118.75 1wf0 n ALA 43 Ca 0.20 0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.55 1wf0 n ALA 43 Cb 0.38 -1.94 -0.08 0.00 0.00 0.00 0.00 19.45 17.81 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 -0.28 0.05 0.00 -0.12 -1.26 -0.86 117.98 112.84 1wf0 s PHE 44 Ca 0.23 0.47 -0.02 0.00 -0.05 0.00 0.00 56.93 57.57 1wf0 s PHE 44 Cb -0.13 0.16 -0.03 0.00 -0.63 0.00 0.00 43.02 42.39 1wf0 s PHE 44 CO 0.29 -0.42 -0.01 0.00 -0.05 0.00 0.00 175.22 175.03 1wf0 s ALA 45 N -1.21 0.37 -0.21 1.99 0.00 -1.15 -4.81 121.76 116.74 1wf0 s ALA 45 Ca -0.12 -1.05 -0.08 0.00 0.00 0.00 0.00 51.96 50.71 1wf0 s ALA 45 Cb -0.04 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.31 1wf0 s ALA 45 CO 0.05 -0.35 0.08 0.12 0.00 0.00 0.00 175.76 175.66 1wf0 s PHE 46 N -3.53 3.22 -0.05 0.00 5.36 -0.83 -1.37 117.98 120.77 1wf0 s PHE 46 Ca 0.03 -0.01 0.05 0.00 -0.96 0.00 0.00 56.93 56.04 1wf0 s PHE 46 Cb 0.05 -2.15 -0.00 0.00 -0.34 0.00 0.00 43.02 40.57 1wf0 s PHE 46 CO -0.09 0.01 -0.20 0.08 -1.46 0.00 0.00 175.22 173.56 1wf0 s VAL 47 N 0.81 1.69 -0.10 3.12 1.01 -0.99 -1.39 120.40 124.54 1wf0 s VAL 47 Ca 0.04 -0.85 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 1wf0 s VAL 47 Cb -0.13 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1wf0 s VAL 47 CO 0.02 0.48 -0.03 -0.89 0.00 0.00 0.00 175.10 174.68 1wf0 s THR 48 N 0.04 3.99 0.10 3.92 2.01 -0.78 -2.11 115.64 122.80 1wf0 s THR 48 Ca -0.06 -0.36 0.07 0.00 0.31 0.00 0.00 61.69 61.66 1wf0 s THR 48 Cb -0.13 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 1wf0 s THR 48 CO 0.03 0.57 -0.11 -0.36 -0.69 0.00 0.00 174.62 174.06 1wf0 s PHE 49 N -0.50 2.71 -2.00 4.92 0.08 -1.24 -1.61 117.98 120.35 1wf0 s PHE 49 Ca 0.08 -0.17 0.19 0.00 0.12 0.00 0.00 56.93 57.15 1wf0 s PHE 49 Cb -0.12 -1.43 1.12 0.00 -0.57 0.00 0.00 43.02 42.02 1wf0 s PHE 49 CO 0.02 0.41 1.52 0.00 -0.10 0.00 0.00 175.22 177.07 1wf0 n ALA 50 N 0.78 2.22 -3.66 5.36 0.00 -0.04 -4.61 120.51 120.56 1wf0 n ALA 50 Ca -0.14 -0.12 -0.08 0.00 0.00 0.00 0.00 53.44 53.11 1wf0 n ALA 50 Cb 0.52 -1.30 -0.08 0.00 0.00 0.00 0.00 19.45 18.59 1wf0 n ALA 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wf0 s ASP 51 N -1.97 -0.78 0.48 0.00 1.11 -1.26 -5.03 116.67 109.22 1wf0 s ASP 51 Ca 0.28 1.28 0.21 0.00 0.18 0.00 0.00 52.55 54.50 1wf0 s ASP 51 Cb 0.13 1.25 1.22 0.00 1.07 0.00 0.00 42.92 46.59 1wf0 s ASP 51 CO 0.22 -0.22 2.02 -0.78 1.18 0.00 0.00 175.17 177.58 1wf0 h ASP 52 N 7.19 0.00 0.02 0.27 3.58 -1.91 -2.19 116.42 123.39 1wf0 h ASP 52 Ca -0.31 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.14 1wf0 h ASP 52 Cb 1.20 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.25 1wf0 h ASP 52 CO 0.20 0.17 -0.02 1.56 -2.88 0.00 0.00 179.24 178.27 1wf0 h GLN 53 N 0.00 0.00 0.06 0.28 4.20 -1.97 0.61 115.11 118.29 1wf0 h GLN 53 Ca -0.00 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.43 1wf0 h GLN 53 Cb 0.36 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 1wf0 h GLN 53 CO 0.02 0.02 -1.43 0.82 -0.67 0.00 0.00 178.83 177.58 1wf0 h ILE 54 N 0.00 1.23 0.00 2.54 2.04 -1.83 -2.79 117.51 118.70 1wf0 h ILE 54 Ca -0.00 -2.94 -0.10 0.00 1.00 0.00 0.00 64.86 62.82 1wf0 h ILE 54 Cb 0.03 2.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.79 1wf0 h ILE 54 CO 0.00 0.78 -0.47 0.00 0.00 0.00 0.00 178.15 178.46 1wf0 h ALA 55 N 0.75 0.88 0.03 1.87 0.00 -1.24 -3.13 119.26 118.42 1wf0 h ALA 55 Ca -0.19 -0.43 -0.11 0.00 0.00 0.00 0.00 54.91 54.18 1wf0 h ALA 55 Cb 1.95 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 1wf0 h ALA 55 CO 0.13 0.59 -0.54 1.96 0.00 0.00 0.00 179.25 181.39 1wf0 h GLN 56 N 0.00 0.06 -0.77 0.00 4.20 -1.00 -3.16 115.11 114.44 1wf0 h GLN 56 Ca -0.00 -0.10 0.22 0.00 0.06 0.00 0.00 58.65 58.83 1wf0 h GLN 56 Cb 1.08 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.87 1wf0 h GLN 56 CO 0.06 1.05 0.55 1.03 -0.67 0.00 0.00 178.83 180.85 1wf0 h SER 57 N -0.86 0.00 1.45 1.46 0.87 -1.57 0.54 113.55 115.45 1wf0 h SER 57 Ca -0.13 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.34 1wf0 h SER 57 Cb 1.23 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.17 1wf0 h SER 57 CO -0.03 0.00 -0.56 -0.07 -0.53 0.00 0.00 176.83 175.64 1wf0 h LEU 58 N 0.00 0.00 -8.79 2.23 3.38 -1.64 -3.43 115.31 107.05 1wf0 h LEU 58 Ca 0.37 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.76 1wf0 h LEU 58 Cb 1.47 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.21 1wf0 h LEU 58 CO -0.00 0.41 1.52 0.00 0.09 0.00 0.00 178.44 180.45 1wf0 n GLY 60 N 6.00 0.58 3.86 0.00 0.00 -0.52 -5.00 105.19 110.11 1wf0 n GLY 60 Ca 0.35 0.00 -0.36 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 -0.67 3.77 -0.32 1.61 2.02 0.76 -4.98 118.70 120.89 1wf0 s GLU 61 Ca 0.00 0.21 -0.10 0.00 0.02 0.00 0.00 54.97 55.11 1wf0 s GLU 61 Cb 0.00 -3.11 -0.00 0.00 0.10 0.00 0.00 34.13 31.12 1wf0 s GLU 61 CO 0.00 0.64 0.16 0.16 0.02 0.00 0.00 175.26 176.24 1wf0 s ASP 62 N -1.43 5.59 0.03 -0.19 1.47 -1.26 -3.50 116.67 117.37 1wf0 s ASP 62 Ca 0.27 -0.59 0.05 0.00 1.18 0.00 0.00 52.55 53.46 1wf0 s ASP 62 Cb -0.15 -2.01 -0.03 0.00 -0.34 0.00 0.00 42.92 40.39 1wf0 s ASP 62 CO 0.15 -0.22 -0.09 -0.76 0.68 0.00 0.00 175.17 174.92 1wf0 s LEU 63 N 1.61 3.06 -0.19 2.11 1.43 -1.18 -5.00 118.68 120.51 1wf0 s LEU 63 Ca 0.04 -0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 52.84 1wf0 s LEU 63 Cb -0.17 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 1wf0 s LEU 63 CO 0.06 0.26 0.02 -0.63 0.23 0.00 0.00 176.35 176.29 1wf0 s ILE 64 N -1.03 4.27 -0.19 -0.59 -1.09 -1.26 -1.55 121.20 119.76 1wf0 s ILE 64 Ca 0.18 -0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.39 1wf0 s ILE 64 Cb -0.11 -2.93 0.04 0.00 -1.58 0.00 0.00 42.46 37.89 1wf0 s ILE 64 CO 0.09 0.44 -0.09 -0.63 -1.23 0.00 0.00 174.94 173.52 1wf0 s ILE 65 N 0.75 1.49 0.00 2.92 1.01 -0.56 -4.69 121.20 122.12 1wf0 s ILE 65 Ca 0.01 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.74 1wf0 s ILE 65 Cb -0.14 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.72 1wf0 s ILE 65 CO 0.02 0.14 0.00 0.29 0.00 0.00 0.00 174.94 175.39 1wf0 n LYS 66 N 4.73 -0.90 0.00 2.79 5.02 -1.26 -2.03 118.16 126.52 1wf0 n LYS 66 Ca -0.14 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1wf0 n LYS 66 Cb 0.47 -4.04 0.00 0.00 -0.02 0.00 0.00 35.03 31.43 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 -0.98 2.34 3.88 0.72 0.00 -1.26 -5.09 105.19 104.80 1wf0 n GLY 67 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.19 3.89 -0.29 -0.61 -5.25 -0.86 -5.03 121.20 110.87 1wf0 s ILE 68 Ca 0.00 0.61 -0.05 0.00 -0.99 0.00 0.00 60.65 60.22 1wf0 s ILE 68 Cb 0.00 -3.61 0.02 0.00 2.95 0.00 0.00 42.46 41.83 1wf0 s ILE 68 CO 0.00 -0.80 0.04 -0.55 -1.79 0.00 0.00 174.94 171.84 1wf0 s SER 69 N -4.30 4.94 0.01 4.36 0.15 -1.26 -1.50 113.70 116.09 1wf0 s SER 69 Ca 0.57 -0.89 -0.01 0.00 0.70 0.00 0.00 55.95 56.33 1wf0 s SER 69 Cb -0.11 -1.81 -0.04 0.00 -1.71 0.00 0.00 66.02 62.35 1wf0 s SER 69 CO 0.52 -0.21 0.13 0.68 1.20 0.00 0.00 173.24 175.56 1wf0 s VAL 70 N 1.41 5.02 -0.22 4.45 -7.23 -0.60 -4.73 120.40 118.51 1wf0 s VAL 70 Ca 0.00 -0.35 -0.05 0.00 -1.81 0.00 0.00 61.98 59.78 1wf0 s VAL 70 Cb -0.18 -3.34 -0.02 0.00 0.56 0.00 0.00 36.38 33.40 1wf0 s VAL 70 CO 0.00 0.30 -0.01 -2.28 -0.31 0.00 0.00 175.10 172.81 1wf0 s HIS 71 N -1.29 3.00 -0.26 2.82 5.65 -1.25 -3.12 115.29 120.85 1wf0 s HIS 71 Ca 0.26 -0.69 -0.17 0.00 0.25 0.00 0.00 55.06 54.71 1wf0 s HIS 71 Cb -0.12 -2.12 -0.03 0.00 -1.18 0.00 0.00 32.58 29.13 1wf0 s HIS 71 CO 0.18 -0.42 0.48 0.42 -0.65 0.00 0.00 174.74 174.75 1wf0 s ILE 72 N 1.34 5.10 0.04 0.89 -1.09 -1.23 -3.02 121.20 123.23 1wf0 s ILE 72 Ca 0.04 0.80 -0.04 0.00 -2.23 0.00 0.00 60.65 59.22 1wf0 s ILE 72 Cb -0.15 -3.79 -0.02 0.00 -1.58 0.00 0.00 42.46 36.93 1wf0 s ILE 72 CO -0.00 0.11 0.06 -0.55 -1.23 0.00 0.00 174.94 173.33 1wf0 s SER 73 N 1.55 0.23 -0.31 3.58 0.15 -1.24 -1.43 113.70 116.23 1wf0 s SER 73 Ca 0.20 -0.59 -0.04 0.00 0.70 0.00 0.00 55.95 56.21 1wf0 s SER 73 Cb -0.16 0.20 0.04 0.00 -1.71 0.00 0.00 66.02 64.39 1wf0 s SER 73 CO 0.09 -0.49 0.04 0.21 1.20 0.00 0.00 173.24 174.30 1wf0 s ASN 74 N -2.13 5.01 0.05 5.45 3.84 -1.26 -0.89 114.94 125.01 1wf0 s ASN 74 Ca -0.05 -1.08 0.03 0.00 0.21 0.00 0.00 52.86 51.96 1wf0 s ASN 74 Cb -0.01 -1.79 -0.03 0.00 -0.55 0.00 0.00 41.25 38.87 1wf0 s ASN 74 CO -0.05 -0.26 -0.09 0.00 -2.79 0.00 0.00 177.10 173.91 1wf0 s ALA 75 N 1.36 0.72 -0.35 1.71 0.00 -1.26 -5.02 121.76 118.91 1wf0 s ALA 75 Ca -0.02 -0.83 -0.00 0.00 0.00 0.00 0.00 51.96 51.10 1wf0 s ALA 75 Cb -0.19 0.01 0.13 0.00 0.00 0.00 0.00 23.12 23.08 1wf0 s ALA 75 CO 0.00 0.02 0.20 -1.21 0.00 0.00 0.00 175.76 174.77 1wf0 s GLU 76 N -1.67 0.63 0.37 0.00 2.02 -1.26 -4.89 118.70 113.91 1wf0 s GLU 76 Ca -0.08 -1.31 -0.27 0.00 0.02 0.00 0.00 54.97 53.33 1wf0 s GLU 76 Cb -0.10 -1.50 -0.09 0.00 0.10 0.00 0.00 34.13 32.54 1wf0 s GLU 76 CO 0.01 -1.16 1.21 -1.25 0.02 0.00 0.00 175.26 174.08 1wf0 s PRO 77 N 1.13 4.21 0.33 0.39 0.04 -1.26 -5.03 135.00 134.80 1wf0 s PRO 77 Ca 0.16 1.96 -0.11 0.00 0.04 0.00 0.00 61.00 63.05 1wf0 s PRO 77 Cb -0.22 -2.86 -0.07 0.00 0.04 0.00 0.00 34.50 31.39 1wf0 s PRO 77 CO -0.06 -0.22 0.69 -1.59 0.04 0.00 0.00 177.00 175.85 1wf0 s LYS 78 N -2.04 3.85 -0.26 4.56 0.00 -1.26 -5.08 119.74 119.51 1wf0 s LYS 78 Ca 0.53 0.45 -0.29 0.00 0.00 0.00 0.00 55.97 56.66 1wf0 s LYS 78 Cb -0.34 -2.49 0.18 0.00 0.00 0.00 0.00 37.83 35.18 1wf0 s LYS 78 CO 0.44 0.14 1.28 -1.58 0.00 0.00 0.00 175.35 175.62 1wf0 s HIS 79 N -2.08 -0.13 -0.07 1.78 2.46 -1.26 -5.16 115.29 110.83 1wf0 s HIS 79 Ca 0.51 0.24 -0.03 0.00 0.47 0.00 0.00 55.06 56.25 1wf0 s HIS 79 Cb -0.10 0.48 0.04 0.00 -0.13 0.00 0.00 32.58 32.86 1wf0 s HIS 79 CO 0.24 -0.11 0.13 -0.80 -2.47 0.00 0.00 174.74 171.73 1wf0 s ASN 80 N -0.85 0.75 0.01 9.88 0.01 -1.26 -5.14 114.94 118.34 1wf0 s ASN 80 Ca 0.06 0.25 -0.29 0.00 -0.71 0.00 0.00 52.86 52.17 1wf0 s ASN 80 Cb -0.02 0.15 0.11 0.00 0.41 0.00 0.00 41.25 41.90 1wf0 s ASN 80 CO -0.07 -0.23 1.25 -0.55 -1.51 0.00 0.00 177.10 175.98 1wf0 s SER 81 N 2.12 -0.06 -0.28 -1.22 0.15 -1.26 -5.16 113.70 107.99 1wf0 s SER 81 Ca 0.02 -0.20 -0.08 0.00 0.70 0.00 0.00 55.95 56.40 1wf0 s SER 81 Cb -0.12 0.21 0.13 0.00 -1.71 0.00 0.00 66.02 64.53 1wf0 s SER 81 CO -0.05 -0.39 0.58 0.54 1.20 0.00 0.00 173.24 175.13 1wf0 s ASN 82 N -3.11 -0.95 0.32 5.45 4.22 -1.26 -5.14 114.94 114.47 1wf0 s ASN 82 Ca 0.16 1.28 -0.29 0.00 -2.14 0.00 0.00 52.86 51.87 1wf0 s ASN 82 Cb 0.03 2.04 -0.12 0.00 1.28 0.00 0.00 41.25 44.48 1wf0 s ASN 82 CO -0.02 -0.23 1.46 -0.24 -2.04 0.00 0.00 177.10 176.02 1wf0 n SER 83 N 5.43 3.35 0.00 3.54 2.88 -1.26 -4.77 113.62 122.79 1wf0 n SER 83 Ca -0.09 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 1wf0 n SER 83 Cb 0.49 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.41 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 1.39 -0.08 0.25 0.46 0.00 -1.26 -5.06 105.19 100.89 1wf0 n GLY 84 Ca 0.06 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 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 0.87 -4.67 1.61 0.13 -2.05 -3.45 132.00 124.44 1wf0 h PRO 85 Ca 0.00 -0.46 -0.28 0.00 -0.87 0.00 0.00 66.00 64.39 1wf0 h PRO 85 Cb 0.00 0.02 -0.20 0.00 0.13 0.00 0.00 31.00 30.95 1wf0 h PRO 85 CO 0.00 1.10 -0.73 -1.54 -0.23 0.00 0.00 178.00 176.60 1wf0 s SER 86 N -6.75 1.01 -0.93 1.44 1.04 -1.26 -5.09 113.70 103.15 1wf0 s SER 86 Ca -0.11 -0.64 -0.20 0.00 0.48 0.00 0.00 55.95 55.47 1wf0 s SER 86 Cb 0.10 0.04 0.10 0.00 0.10 0.00 0.00 66.02 66.36 1wf0 s SER 86 CO 0.87 -0.24 1.21 -0.44 0.98 0.00 0.00 173.24 175.62 1wf0 s SER 87 N -1.87 6.55 0.00 7.02 0.01 -1.26 -5.24 113.70 118.90 1wf0 s SER 87 Ca -0.05 -1.77 0.00 0.00 1.31 0.00 0.00 55.95 55.44 1wf0 s SER 87 Cb -0.07 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.71 1wf0 s SER 87 CO -0.00 -1.23 0.00 0.61 0.41 0.00 0.00 173.24 173.02