#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 5.27 -0.28 1.61 0.01 -1.26 -5.02 113.70 114.03 1wf0 s SER 2 Ca 0.00 -2.97 -0.23 0.00 1.31 0.00 0.00 55.95 54.07 1wf0 s SER 2 Cb 0.00 -1.85 0.09 0.00 0.21 0.00 0.00 66.02 64.47 1wf0 s SER 2 CO 0.00 -0.34 0.81 -0.94 0.41 0.00 0.00 173.24 173.18 1wf0 s SER 3 N 0.54 -0.69 0.00 2.44 1.04 -1.26 -5.15 113.70 110.61 1wf0 s SER 3 Ca 0.18 1.27 0.00 0.00 0.48 0.00 0.00 55.95 57.88 1wf0 s SER 3 Cb -0.19 1.29 0.00 0.00 0.10 0.00 0.00 66.02 67.22 1wf0 s SER 3 CO -0.04 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.57 1wf0 n GLY 4 N 2.93 1.26 3.23 7.32 0.00 -1.26 -4.93 105.19 113.75 1wf0 n GLY 4 Ca -0.15 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 1wf0 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wf0 s SER 5 N -0.73 5.78 0.00 1.61 1.04 -1.26 -4.85 113.70 115.29 1wf0 s SER 5 Ca 0.00 -1.86 0.00 0.00 0.48 0.00 0.00 55.95 54.57 1wf0 s SER 5 Cb 0.00 -2.04 0.00 0.00 0.10 0.00 0.00 66.02 64.08 1wf0 s SER 5 CO 0.00 -0.71 0.00 -0.24 0.98 0.00 0.00 173.24 173.27 1wf0 n SER 6 N 4.96 -4.78 -3.85 7.02 2.88 -1.26 -4.49 113.62 114.11 1wf0 n SER 6 Ca -0.09 0.31 -0.12 0.00 -1.33 0.00 0.00 58.87 57.65 1wf0 n SER 6 Cb 0.41 -1.13 -0.09 0.00 -0.75 0.00 0.00 64.21 62.64 1wf0 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wf0 s GLY 7 N -0.68 0.00 0.06 0.46 0.00 -1.26 -1.64 107.32 104.25 1wf0 s GLY 7 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 44.72 44.62 1wf0 s GLY 7 CO 0.00 -0.20 0.09 -1.34 0.00 0.00 0.00 173.10 171.65 1wf0 s VAL 8 N -1.44 0.16 -0.14 1.40 -7.23 -1.04 -4.62 120.40 107.49 1wf0 s VAL 8 Ca -0.14 -1.30 -0.14 0.00 -1.81 0.00 0.00 61.98 58.59 1wf0 s VAL 8 Cb -0.07 -1.18 -0.05 0.00 0.56 0.00 0.00 36.38 35.65 1wf0 s VAL 8 CO 0.02 -0.72 0.30 -0.36 -0.31 0.00 0.00 175.10 174.03 1wf0 s PHE 9 N -3.29 3.51 -0.82 2.82 0.40 0.61 -2.86 117.98 118.35 1wf0 s PHE 9 Ca 0.01 0.65 0.02 0.00 -0.60 0.00 0.00 56.93 57.01 1wf0 s PHE 9 Cb 0.03 -2.31 0.25 0.00 0.51 0.00 0.00 43.02 41.50 1wf0 s PHE 9 CO -0.08 0.33 0.93 0.28 0.70 0.00 0.00 175.22 177.37 1wf0 n VAL 10 N 3.23 3.23 -0.86 -0.44 0.31 -0.88 -2.71 118.33 120.22 1wf0 n VAL 10 Ca -0.13 -5.36 -0.24 0.00 -0.01 0.00 0.00 64.34 58.60 1wf0 n VAL 10 Cb 0.52 -2.17 0.21 0.00 -0.91 0.00 0.00 33.84 31.49 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 1.38 -2.85 2.68 2.92 0.00 -1.25 -3.49 105.19 104.58 1wf0 n GLY 11 Ca 0.26 -1.46 -0.20 0.00 0.00 0.00 0.00 46.02 44.62 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 -4.33 -2.94 -2.92 1.61 1.74 -0.25 -4.00 116.66 105.57 1wf0 n ARG 12 Ca 0.12 0.88 -0.21 0.00 -0.77 0.00 0.00 57.85 57.87 1wf0 n ARG 12 Cb 0.48 -5.61 0.08 0.00 -1.02 0.00 0.00 32.46 26.40 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 -2.85 0.11 -0.06 0.00 -4.23 -1.26 -4.36 115.64 102.98 1wf0 s THR 14 Ca 0.64 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.97 1wf0 s THR 14 Cb -0.05 -2.49 -0.30 0.00 1.34 0.00 0.00 72.50 71.01 1wf0 s THR 14 CO 0.41 0.00 0.76 1.23 -0.54 0.00 0.00 174.62 176.48 1wf0 h GLY 15 N 2.21 0.34 -0.90 3.99 0.00 -2.00 -3.35 103.07 103.36 1wf0 h GLY 15 Ca -0.29 -0.88 0.23 0.00 0.00 0.00 0.00 47.33 46.39 1wf0 h GLY 15 CO 0.44 0.77 -0.04 1.34 0.00 0.00 0.00 176.54 179.04 1wf0 n ASP 16 N -4.00 -0.16 -4.72 0.19 2.03 -1.26 -4.41 116.55 104.22 1wf0 n ASP 16 Ca -0.19 1.53 -0.35 0.00 0.52 0.00 0.00 54.79 56.31 1wf0 n ASP 16 Cb 0.89 -0.53 0.09 0.00 -0.72 0.00 0.00 41.12 40.84 1wf0 n ASP 16 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 1wf0 s MET 17 N -5.94 2.23 0.11 -0.67 -1.94 -1.26 -5.04 119.30 106.79 1wf0 s MET 17 Ca -0.12 1.81 0.06 0.00 -1.71 0.00 0.00 55.69 55.73 1wf0 s MET 17 Cb 0.26 -1.84 -0.04 0.00 2.01 0.00 0.00 34.83 35.23 1wf0 s MET 17 CO 0.70 -1.78 -0.16 0.95 -0.01 0.00 0.00 175.02 174.72 1wf0 s THR 18 N -1.88 1.40 0.54 2.05 -4.23 -1.26 -5.00 115.64 107.25 1wf0 s THR 18 Ca 0.76 -1.59 0.45 0.00 -1.18 0.00 0.00 61.69 60.13 1wf0 s THR 18 Cb -0.30 -1.44 0.68 0.00 1.34 0.00 0.00 72.50 72.77 1wf0 s THR 18 CO 0.44 -0.28 1.62 -0.33 -0.54 0.00 0.00 174.62 175.53 1wf0 h GLU 19 N 3.82 0.01 0.07 3.99 5.08 -1.96 0.58 114.58 126.18 1wf0 h GLU 19 Ca -0.42 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1wf0 h GLU 19 Cb 1.19 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1wf0 h GLU 19 CO 0.45 0.01 -0.03 -0.44 -1.00 0.00 0.00 179.01 178.00 1wf0 h ASP 20 N 0.01 -0.08 0.08 1.42 3.32 -1.94 -0.71 116.42 118.52 1wf0 h ASP 20 Ca 0.86 -0.37 0.01 0.00 0.02 0.00 0.00 57.03 57.56 1wf0 h ASP 20 Cb 3.36 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 42.89 1wf0 h ASP 20 CO -0.07 0.34 -0.46 -0.33 -1.72 0.00 0.00 179.24 177.00 1wf0 h GLU 21 N -0.52 -0.61 -0.34 3.56 5.08 -0.22 0.42 114.58 121.95 1wf0 h GLU 21 Ca -0.01 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1wf0 h GLU 21 Cb 0.44 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1wf0 h GLU 21 CO 0.02 -0.40 0.14 -0.07 -1.00 0.00 0.00 179.01 177.69 1wf0 h LEU 22 N -0.63 0.17 -1.63 1.33 3.38 -1.59 0.22 115.31 116.56 1wf0 h LEU 22 Ca -0.00 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.08 1wf0 h LEU 22 Cb 0.64 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 1wf0 h LEU 22 CO -0.26 0.13 0.38 -0.09 0.09 0.00 0.00 178.44 178.70 1wf0 h ARG 23 N 0.29 0.42 0.00 1.13 2.43 -0.70 0.43 114.38 118.39 1wf0 h ARG 23 Ca 0.15 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1wf0 h ARG 23 Cb 0.11 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1wf0 h ARG 23 CO -0.14 0.28 -0.49 0.93 -1.51 0.00 0.00 179.97 179.04 1wf0 h GLU 24 N 0.43 0.00 0.02 0.20 4.39 0.87 -3.03 114.58 117.47 1wf0 h GLU 24 Ca 0.26 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.67 1wf0 h GLU 24 Cb 0.45 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.06 1wf0 h GLU 24 CO -0.07 0.00 -1.59 0.35 -1.16 0.00 0.00 179.01 176.54 1wf0 h PHE 25 N 0.00 0.09 -0.07 4.33 3.57 0.18 -3.32 116.94 121.72 1wf0 h PHE 25 Ca 0.00 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1wf0 h PHE 25 Cb 0.94 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.67 1wf0 h PHE 25 CO 0.00 1.11 0.00 1.19 -2.23 0.00 0.00 178.31 178.38 1wf0 n PHE 26 N -3.18 0.07 0.05 0.41 3.72 0.13 -3.88 117.46 114.79 1wf0 n PHE 26 Ca -0.15 -0.04 -0.05 0.00 -0.05 0.00 0.00 57.45 57.16 1wf0 n PHE 26 Cb 1.03 0.00 -0.10 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 2.65 0.00 0.84 4.37 4.64 -1.63 -3.26 113.55 121.16 1wf0 h SER 27 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1wf0 h SER 27 Cb 0.57 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 1wf0 h SER 27 CO 0.00 0.88 -0.28 0.06 -0.87 0.00 0.00 176.83 176.62 1wf0 h GLN 28 N 0.00 0.00 -0.01 4.77 3.07 -1.74 -3.18 115.11 118.02 1wf0 h GLN 28 Ca -0.08 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.60 1wf0 h GLN 28 Cb 1.74 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.30 1wf0 h GLN 28 CO 0.10 0.28 -0.23 1.88 0.09 0.00 0.00 178.83 180.95 1wf0 h TYR 29 N 0.00 0.26 0.00 0.06 -1.99 -1.77 -3.49 116.97 110.03 1wf0 h TYR 29 Ca -0.00 -0.13 0.00 0.00 2.00 0.00 0.00 58.73 60.60 1wf0 h TYR 29 Cb 0.77 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.47 1wf0 h TYR 29 CO 0.00 0.90 0.00 0.41 -0.00 0.00 0.00 178.16 179.47 1wf0 n GLY 30 N 0.94 2.84 2.75 3.88 0.00 -1.20 -5.09 105.19 109.31 1wf0 n GLY 30 Ca -0.09 0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 1wf0 n GLY 30 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wf0 s ASP 31 N 1.86 3.81 -0.52 1.61 2.15 -1.26 -4.72 116.67 119.59 1wf0 s ASP 31 Ca 0.00 -3.47 -0.27 0.00 0.43 0.00 0.00 52.55 49.24 1wf0 s ASP 31 Cb 0.00 -1.27 -0.02 0.00 -0.30 0.00 0.00 42.92 41.33 1wf0 s ASP 31 CO 0.00 -0.14 1.82 0.54 -0.17 0.00 0.00 175.17 177.22 1wf0 s VAL 32 N -0.80 3.42 0.10 1.11 0.11 -1.26 -1.24 120.40 121.84 1wf0 s VAL 32 Ca 0.26 0.32 -0.29 0.00 -2.93 0.00 0.00 61.98 59.34 1wf0 s VAL 32 Cb -0.06 -3.88 -0.11 0.00 -1.53 0.00 0.00 36.38 30.81 1wf0 s VAL 32 CO -0.14 -0.77 1.47 0.24 -3.33 0.00 0.00 175.10 172.57 1wf0 h MET 33 N 14.16 -0.44 -3.10 1.54 2.86 -1.73 -3.47 114.93 124.76 1wf0 h MET 33 Ca -0.28 0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.38 1wf0 h MET 33 Cb 1.16 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.89 1wf0 h MET 33 CO 1.16 -0.29 0.21 0.34 1.06 0.00 0.00 176.91 179.39 1wf0 s ASP 34 N -4.58 -0.04 -0.12 1.22 -1.08 -1.23 -5.03 116.67 105.82 1wf0 s ASP 34 Ca -0.13 -0.97 -0.03 0.00 -0.52 0.00 0.00 52.55 50.90 1wf0 s ASP 34 Cb 0.06 0.78 0.05 0.00 -1.46 0.00 0.00 42.92 42.35 1wf0 s ASP 34 CO 0.52 -1.52 0.06 -0.69 0.52 0.00 0.00 175.17 174.06 1wf0 s VAL 35 N -3.01 0.09 0.09 1.11 1.01 -1.26 -1.96 120.40 116.47 1wf0 s VAL 35 Ca 0.15 -0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.21 1wf0 s VAL 35 Cb -0.05 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 1wf0 s VAL 35 CO 0.10 -0.04 -0.18 0.12 0.00 0.00 0.00 175.10 175.11 1wf0 s PHE 36 N 2.07 2.56 -0.45 5.22 5.36 -1.00 -4.89 117.98 126.85 1wf0 s PHE 36 Ca 0.03 -0.25 0.00 0.00 -0.96 0.00 0.00 56.93 55.75 1wf0 s PHE 36 Cb -0.14 -1.39 0.12 0.00 -0.34 0.00 0.00 43.02 41.27 1wf0 s PHE 36 CO -0.06 0.35 0.21 0.42 -1.46 0.00 0.00 175.22 174.68 1wf0 s ILE 37 N -1.08 2.94 0.53 3.12 1.01 -1.26 -2.16 121.20 124.30 1wf0 s ILE 37 Ca 0.17 -2.55 -0.20 0.00 0.00 0.00 0.00 60.65 58.07 1wf0 s ILE 37 Cb -0.11 -3.03 -0.06 0.00 0.01 0.00 0.00 42.46 39.27 1wf0 s ILE 37 CO 0.09 -0.72 1.14 -2.16 0.00 0.00 0.00 174.94 173.29 1wf0 s PRO 38 N 0.58 3.44 0.16 2.79 0.04 -1.26 -4.91 135.00 135.84 1wf0 s PRO 38 Ca 0.12 1.65 0.07 0.00 0.04 0.00 0.00 61.00 62.88 1wf0 s PRO 38 Cb -0.22 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 1wf0 s PRO 38 CO -0.04 -0.78 -0.04 0.15 0.04 0.00 0.00 177.00 176.32 1wf0 s LYS 39 N -3.16 2.28 0.12 4.56 -0.14 -1.26 -3.02 119.74 119.12 1wf0 s LYS 39 Ca 0.71 -1.11 -0.31 0.00 -1.36 0.00 0.00 55.97 53.90 1wf0 s LYS 39 Cb -0.25 -2.31 -0.08 0.00 -1.68 0.00 0.00 37.83 33.51 1wf0 s LYS 39 CO 0.29 0.47 1.36 -1.25 -0.76 0.00 0.00 175.35 175.45 1wf0 s PRO 40 N -2.73 4.34 -0.25 -1.68 0.04 -1.26 -5.10 135.00 128.36 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 -3.25 -0.01 0.00 0.04 0.00 0.00 34.50 31.18 1wf0 s PRO 40 CO 0.17 -0.40 1.31 0.12 0.04 0.00 0.00 177.00 178.24 1wf0 s PHE 41 N 0.99 2.70 -0.58 0.56 5.36 -1.17 -4.97 117.98 120.88 1wf0 s PHE 41 Ca 0.63 0.89 0.04 0.00 -0.96 0.00 0.00 56.93 57.53 1wf0 s PHE 41 Cb -0.36 -3.78 0.16 0.00 -0.34 0.00 0.00 43.02 38.70 1wf0 s PHE 41 CO 0.31 -1.80 0.39 1.03 -1.46 0.00 0.00 175.22 173.69 1wf0 s ARG 42 N 3.98 1.87 -0.51 10.12 0.52 -1.26 -4.85 118.95 128.82 1wf0 s ARG 42 Ca 0.57 -2.77 -0.03 0.00 -0.52 0.00 0.00 55.73 52.98 1wf0 s ARG 42 Cb -0.19 -2.78 0.03 0.00 0.52 0.00 0.00 34.95 32.53 1wf0 s ARG 42 CO 0.21 -1.27 0.10 0.00 0.02 0.00 0.00 175.30 174.35 1wf0 n ALA 43 N 2.55 -0.98 -3.32 2.13 0.00 -1.26 -4.79 120.51 114.83 1wf0 n ALA 43 Ca 0.19 0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.51 1wf0 n ALA 43 Cb 0.37 -1.09 -0.11 0.00 0.00 0.00 0.00 19.45 18.63 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 -2.32 -0.42 0.13 0.00 -0.12 -1.26 -0.09 117.98 113.90 1wf0 s PHE 44 Ca 0.11 1.01 0.01 0.00 -0.05 0.00 0.00 56.93 58.01 1wf0 s PHE 44 Cb -0.06 0.15 -0.04 0.00 -0.63 0.00 0.00 43.02 42.43 1wf0 s PHE 44 CO 0.14 -0.21 -0.03 0.00 -0.05 0.00 0.00 175.22 175.07 1wf0 s ALA 45 N 0.37 1.10 -0.34 1.99 0.00 -1.23 -4.75 121.76 118.91 1wf0 s ALA 45 Ca -0.01 -1.45 -0.08 0.00 0.00 0.00 0.00 51.96 50.42 1wf0 s ALA 45 Cb -0.03 0.38 0.03 0.00 0.00 0.00 0.00 23.12 23.49 1wf0 s ALA 45 CO -0.01 -0.29 0.13 0.12 0.00 0.00 0.00 175.76 175.70 1wf0 s PHE 46 N -3.68 3.22 -0.13 0.00 5.36 -0.92 -2.06 117.98 119.77 1wf0 s PHE 46 Ca 0.17 -1.14 -0.04 0.00 -0.96 0.00 0.00 56.93 54.96 1wf0 s PHE 46 Cb 0.06 -2.32 -0.04 0.00 -0.34 0.00 0.00 43.02 40.38 1wf0 s PHE 46 CO -0.01 -0.65 0.04 0.08 -1.46 0.00 0.00 175.22 173.22 1wf0 s VAL 47 N 1.48 4.62 0.00 3.12 1.01 -1.13 -2.37 120.40 127.12 1wf0 s VAL 47 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1wf0 s VAL 47 Cb -0.19 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1wf0 s VAL 47 CO 0.04 0.56 0.07 -0.89 0.00 0.00 0.00 175.10 174.87 1wf0 s THR 48 N -0.44 4.62 -0.04 3.92 2.01 -0.83 -2.50 115.64 122.39 1wf0 s THR 48 Ca 0.09 -0.47 0.05 0.00 0.31 0.00 0.00 61.69 61.67 1wf0 s THR 48 Cb -0.12 -3.11 -0.01 0.00 0.01 0.00 0.00 72.50 69.27 1wf0 s THR 48 CO 0.02 0.34 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.74 1wf0 s PHE 49 N -1.19 1.79 -1.51 4.92 0.08 -0.65 -2.14 117.98 119.28 1wf0 s PHE 49 Ca 0.23 -0.48 0.09 0.00 0.12 0.00 0.00 56.93 56.88 1wf0 s PHE 49 Cb -0.12 -1.19 0.44 0.00 -0.57 0.00 0.00 43.02 41.58 1wf0 s PHE 49 CO 0.14 -0.14 1.12 0.00 -0.10 0.00 0.00 175.22 176.23 1wf0 n ALA 50 N 3.02 1.60 -3.60 5.36 0.00 -0.38 -4.34 120.51 122.17 1wf0 n ALA 50 Ca -0.17 -0.04 -0.21 0.00 0.00 0.00 0.00 53.44 53.02 1wf0 n ALA 50 Cb 0.53 -1.14 -0.16 0.00 0.00 0.00 0.00 19.45 18.69 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 -2.49 1.49 0.43 0.00 1.11 -1.26 -5.01 116.67 110.93 1wf0 s ASP 51 Ca 0.09 -0.16 0.17 0.00 0.18 0.00 0.00 52.55 52.83 1wf0 s ASP 51 Cb 0.06 0.09 1.08 0.00 1.07 0.00 0.00 42.92 45.21 1wf0 s ASP 51 CO 0.12 -0.30 1.90 0.44 1.18 0.00 0.00 175.17 178.51 1wf0 h ASP 52 N 8.38 0.38 -0.25 0.27 3.32 -1.95 0.17 116.42 126.74 1wf0 h ASP 52 Ca -0.15 0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.00 1wf0 h ASP 52 Cb 1.14 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 1wf0 h ASP 52 CO 0.23 0.18 0.20 1.56 -1.72 0.00 0.00 179.24 179.69 1wf0 h GLN 53 N 0.40 0.00 -0.02 3.56 1.08 -1.95 -0.18 115.11 118.00 1wf0 h GLN 53 Ca 0.40 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.50 1wf0 h GLN 53 Cb 0.96 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.40 1wf0 h GLN 53 CO -0.13 0.00 -0.36 0.82 -0.95 0.00 0.00 178.83 178.21 1wf0 h ILE 54 N 0.00 1.49 -0.19 2.54 1.08 -1.06 -1.60 117.51 119.77 1wf0 h ILE 54 Ca 0.12 -1.93 -0.06 0.00 -0.39 0.00 0.00 64.86 62.60 1wf0 h ILE 54 Cb 0.51 2.62 -0.01 0.00 -3.07 0.00 0.00 36.82 36.87 1wf0 h ILE 54 CO -0.00 0.54 -0.16 0.00 -0.69 0.00 0.00 178.15 177.84 1wf0 h ALA 55 N 0.31 1.39 0.04 1.87 0.00 -1.31 -1.86 119.26 119.71 1wf0 h ALA 55 Ca -0.04 -0.25 -0.23 0.00 0.00 0.00 0.00 54.91 54.39 1wf0 h ALA 55 Cb 1.08 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1wf0 h ALA 55 CO 0.07 0.42 -1.02 1.96 0.00 0.00 0.00 179.25 180.68 1wf0 h GLN 56 N 0.29 0.24 0.00 0.00 1.08 -1.10 -2.57 115.11 113.04 1wf0 h GLN 56 Ca 0.05 -0.31 -0.06 0.00 -1.45 0.00 0.00 58.65 56.88 1wf0 h GLN 56 Cb 0.46 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.98 1wf0 h GLN 56 CO 0.03 1.07 -0.27 0.77 -0.95 0.00 0.00 178.83 179.48 1wf0 h SER 57 N 0.11 0.00 0.75 1.46 0.02 -0.96 -3.03 113.55 111.89 1wf0 h SER 57 Ca -0.08 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.64 1wf0 h SER 57 Cb 1.70 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 64.20 1wf0 h SER 57 CO 0.16 0.27 -1.36 -0.07 -1.14 0.00 0.00 176.83 174.69 1wf0 h LEU 58 N 0.00 0.00 -8.99 5.07 3.38 -1.34 -3.45 115.31 109.99 1wf0 h LEU 58 Ca -0.00 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.36 1wf0 h LEU 58 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1wf0 h LEU 58 CO 0.04 0.91 1.36 0.00 0.09 0.00 0.00 178.44 180.84 1wf0 n GLY 60 N 5.51 0.99 3.39 0.00 0.00 -0.24 -4.98 105.19 109.85 1wf0 n GLY 60 Ca 0.30 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.75 2.80 -0.30 1.61 2.02 0.09 -5.01 118.70 119.16 1wf0 s GLU 61 Ca 0.00 -0.75 -0.19 0.00 0.02 0.00 0.00 54.97 54.05 1wf0 s GLU 61 Cb 0.00 -2.40 -0.01 0.00 0.10 0.00 0.00 34.13 31.81 1wf0 s GLU 61 CO 0.00 0.43 0.58 -0.51 0.02 0.00 0.00 175.26 175.78 1wf0 s ASP 62 N -0.23 6.46 -0.03 -0.19 1.11 -1.26 -3.58 116.67 118.95 1wf0 s ASP 62 Ca 0.00 0.41 0.04 0.00 0.18 0.00 0.00 52.55 53.18 1wf0 s ASP 62 Cb -0.13 -2.31 -0.03 0.00 1.07 0.00 0.00 42.92 41.52 1wf0 s ASP 62 CO 0.03 -0.42 -0.13 -0.76 1.18 0.00 0.00 175.17 175.06 1wf0 s LEU 63 N 2.50 2.81 -0.20 1.23 1.43 -1.13 -4.96 118.68 120.36 1wf0 s LEU 63 Ca 0.23 -0.22 -0.06 0.00 -1.03 0.00 0.00 54.13 53.05 1wf0 s LEU 63 Cb -0.15 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 1wf0 s LEU 63 CO 0.11 0.32 0.04 -0.63 0.23 0.00 0.00 176.35 176.42 1wf0 s ILE 64 N -0.82 4.42 -0.26 -0.59 -1.09 -1.26 -0.79 121.20 120.82 1wf0 s ILE 64 Ca 0.13 -0.16 0.00 0.00 -2.23 0.00 0.00 60.65 58.40 1wf0 s ILE 64 Cb -0.11 -3.00 0.07 0.00 -1.58 0.00 0.00 42.46 37.84 1wf0 s ILE 64 CO 0.03 0.43 0.00 -0.63 -1.23 0.00 0.00 174.94 173.54 1wf0 s ILE 65 N 0.78 1.35 0.00 2.92 1.01 0.05 -4.72 121.20 122.59 1wf0 s ILE 65 Ca 0.02 -1.31 0.00 0.00 0.00 0.00 0.00 60.65 59.37 1wf0 s ILE 65 Cb -0.14 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.56 1wf0 s ILE 65 CO 0.02 -0.29 0.00 0.29 0.00 0.00 0.00 174.94 174.96 1wf0 n LYS 66 N 4.71 -0.06 0.00 2.79 5.02 -1.26 -2.99 118.16 126.37 1wf0 n LYS 66 Ca -0.08 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1wf0 n LYS 66 Cb 0.44 -3.10 0.00 0.00 -0.02 0.00 0.00 35.03 32.34 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 -1.99 2.11 3.82 0.72 0.00 -1.26 -5.11 105.19 103.48 1wf0 n GLY 67 Ca 0.00 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.35 4.20 -0.17 -0.61 -5.25 -1.16 -4.99 121.20 112.87 1wf0 s ILE 68 Ca 0.00 1.05 -0.04 0.00 -0.99 0.00 0.00 60.65 60.67 1wf0 s ILE 68 Cb 0.00 -3.57 -0.03 0.00 2.95 0.00 0.00 42.46 41.82 1wf0 s ILE 68 CO 0.00 -0.60 -0.02 -0.55 -1.79 0.00 0.00 174.94 171.98 1wf0 s SER 69 N -2.94 4.89 0.17 4.36 0.15 -1.26 -0.77 113.70 118.30 1wf0 s SER 69 Ca 0.61 -0.13 0.07 0.00 0.70 0.00 0.00 55.95 57.20 1wf0 s SER 69 Cb -0.13 -1.81 -0.04 0.00 -1.71 0.00 0.00 66.02 62.33 1wf0 s SER 69 CO 0.34 0.14 0.02 0.68 1.20 0.00 0.00 173.24 175.61 1wf0 s VAL 70 N 0.57 3.83 -0.25 4.45 -7.23 0.03 -4.83 120.40 116.97 1wf0 s VAL 70 Ca -0.02 -1.36 -0.04 0.00 -1.81 0.00 0.00 61.98 58.76 1wf0 s VAL 70 Cb -0.14 -2.93 0.01 0.00 0.56 0.00 0.00 36.38 33.88 1wf0 s VAL 70 CO 0.02 -0.10 -0.02 -2.28 -0.31 0.00 0.00 175.10 172.42 1wf0 s HIS 71 N -1.71 3.05 -0.13 2.82 5.65 -1.26 -2.83 115.29 120.89 1wf0 s HIS 71 Ca 0.28 -1.22 -0.24 0.00 0.25 0.00 0.00 55.06 54.13 1wf0 s HIS 71 Cb -0.09 -2.12 -0.03 0.00 -1.18 0.00 0.00 32.58 29.16 1wf0 s HIS 71 CO 0.19 -0.64 0.74 0.42 -0.65 0.00 0.00 174.74 174.81 1wf0 s ILE 72 N 1.42 4.98 0.29 0.89 -1.09 -1.23 -3.74 121.20 122.70 1wf0 s ILE 72 Ca 0.02 1.49 -0.02 0.00 -2.23 0.00 0.00 60.65 59.91 1wf0 s ILE 72 Cb -0.16 -4.07 -0.02 0.00 -1.58 0.00 0.00 42.46 36.64 1wf0 s ILE 72 CO -0.02 0.14 0.35 -0.55 -1.23 0.00 0.00 174.94 173.63 1wf0 s SER 73 N 1.01 0.69 -0.24 3.58 0.15 -1.10 -1.08 113.70 116.72 1wf0 s SER 73 Ca 0.37 -1.42 0.02 0.00 0.70 0.00 0.00 55.95 55.62 1wf0 s SER 73 Cb -0.17 0.56 0.05 0.00 -1.71 0.00 0.00 66.02 64.75 1wf0 s SER 73 CO 0.15 -1.11 -0.10 0.21 1.20 0.00 0.00 173.24 173.59 1wf0 s ASN 74 N -3.21 4.01 0.07 5.45 2.47 -1.26 -0.29 114.94 122.19 1wf0 s ASN 74 Ca 0.33 -1.20 0.03 0.00 0.42 0.00 0.00 52.86 52.44 1wf0 s ASN 74 Cb 0.02 -1.37 -0.03 0.00 -1.45 0.00 0.00 41.25 38.41 1wf0 s ASN 74 CO 0.18 -0.19 -0.09 0.00 -3.72 0.00 0.00 177.10 173.28 1wf0 s ALA 75 N 1.25 0.86 -0.34 1.71 0.00 -1.26 -4.98 121.76 119.00 1wf0 s ALA 75 Ca -0.06 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 50.85 1wf0 s ALA 75 Cb -0.19 0.06 0.13 0.00 0.00 0.00 0.00 23.12 23.13 1wf0 s ALA 75 CO -0.06 -0.07 0.20 -1.21 0.00 0.00 0.00 175.76 174.62 1wf0 s GLU 76 N -2.49 0.48 0.59 0.00 0.41 -1.26 -4.88 118.70 111.54 1wf0 s GLU 76 Ca 0.00 -1.14 -0.18 0.00 -0.41 0.00 0.00 54.97 53.24 1wf0 s GLU 76 Cb -0.04 -1.24 -0.04 0.00 -1.78 0.00 0.00 34.13 31.04 1wf0 s GLU 76 CO -0.01 -1.17 1.12 -1.25 -0.49 0.00 0.00 175.26 173.46 1wf0 s PRO 77 N 1.29 3.15 0.01 0.39 0.04 -1.26 -5.02 135.00 133.60 1wf0 s PRO 77 Ca 0.16 1.53 -0.20 0.00 0.04 0.00 0.00 61.00 62.53 1wf0 s PRO 77 Cb -0.21 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.29 1wf0 s PRO 77 CO -0.06 -1.00 0.59 0.21 0.04 0.00 0.00 177.00 176.78 1wf0 s LYS 78 N -3.59 4.29 0.00 4.56 2.20 -1.26 -4.89 119.74 121.05 1wf0 s LYS 78 Ca 0.71 0.73 0.00 0.00 -0.36 0.00 0.00 55.97 57.05 1wf0 s LYS 78 Cb -0.23 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 1wf0 s LYS 78 CO 0.32 0.42 0.00 0.72 -0.36 0.00 0.00 175.35 176.46 1wf0 n HIS 79 N 2.52 -0.94 -3.63 4.03 8.25 -1.26 -5.07 115.22 119.12 1wf0 n HIS 79 Ca -0.08 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.10 1wf0 n HIS 79 Cb 0.51 0.45 -0.16 0.00 1.12 0.00 0.00 29.99 31.92 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 -3.61 3.31 -0.29 0.41 -0.87 -1.26 -5.11 114.94 107.52 1wf0 s ASN 80 Ca 0.00 -1.15 -0.25 0.00 -1.57 0.00 0.00 52.86 49.89 1wf0 s ASN 80 Cb 0.00 -0.49 0.15 0.00 -0.02 0.00 0.00 41.25 40.89 1wf0 s ASN 80 CO 0.00 -0.39 1.19 -0.94 -2.57 0.00 0.00 177.10 174.38 1wf0 s SER 81 N 1.96 -0.30 -0.35 -1.22 1.04 -1.26 -5.06 113.70 108.50 1wf0 s SER 81 Ca 0.06 0.58 -0.12 0.00 0.48 0.00 0.00 55.95 56.96 1wf0 s SER 81 Cb -0.16 0.60 0.01 0.00 0.10 0.00 0.00 66.02 66.57 1wf0 s SER 81 CO -0.24 -0.10 0.43 0.59 0.98 0.00 0.00 173.24 174.90 1wf0 n ASN 82 N 2.00 -7.11 0.05 7.02 4.13 -1.26 -4.96 115.26 115.13 1wf0 n ASN 82 Ca -0.12 0.58 0.00 0.00 1.68 0.00 0.00 54.58 56.73 1wf0 n ASN 82 Cb 0.56 -4.76 0.00 0.00 -1.54 0.00 0.00 39.78 34.04 1wf0 n ASN 82 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1wf0 n SER 83 N -0.18 -0.98 0.00 6.41 2.88 -1.26 -5.17 113.62 115.32 1wf0 n SER 83 Ca 0.09 0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 1wf0 n SER 83 Cb 0.33 1.15 0.00 0.00 -0.75 0.00 0.00 64.21 64.94 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 -1.23 3.99 3.70 0.46 0.00 -1.26 -5.07 105.19 105.78 1wf0 n GLY 84 Ca 0.00 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 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 -4.55 4.29 -0.08 1.61 0.04 -1.26 -5.02 135.00 130.03 1wf0 s PRO 85 Ca 0.00 2.03 0.01 0.00 0.04 0.00 0.00 61.00 63.08 1wf0 s PRO 85 Cb 0.00 -3.45 0.02 0.00 0.04 0.00 0.00 34.50 31.11 1wf0 s PRO 85 CO 0.00 -0.53 -0.10 0.45 0.04 0.00 0.00 177.00 176.86 1wf0 s SER 86 N 1.62 1.86 0.04 6.66 0.15 -1.26 -5.14 113.70 117.64 1wf0 s SER 86 Ca 0.65 -0.29 -0.04 0.00 0.70 0.00 0.00 55.95 56.97 1wf0 s SER 86 Cb -0.34 -0.80 -0.02 0.00 -1.71 0.00 0.00 66.02 63.15 1wf0 s SER 86 CO 0.28 -0.03 0.06 -0.55 1.20 0.00 0.00 173.24 174.20 1wf0 s SER 87 N 1.08 0.23 0.00 5.45 0.15 -1.26 -5.32 113.70 114.03 1wf0 s SER 87 Ca -0.07 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 55.99 1wf0 s SER 87 Cb -0.14 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 1wf0 s SER 87 CO -0.01 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.55