#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 3.48 -0.49 1.61 1.04 -1.26 -5.08 113.70 113.00 1wf0 s SER 2 Ca 0.00 -2.95 -0.29 0.00 0.48 0.00 0.00 55.95 53.19 1wf0 s SER 2 Cb 0.00 -1.05 0.02 0.00 0.10 0.00 0.00 66.02 65.09 1wf0 s SER 2 CO 0.00 -0.21 1.31 -0.44 0.98 0.00 0.00 173.24 174.88 1wf0 s SER 3 N -0.06 6.38 0.00 7.02 0.01 -1.26 -4.79 113.70 121.00 1wf0 s SER 3 Ca 0.22 0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.97 1wf0 s SER 3 Cb -0.15 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1wf0 s SER 3 CO -0.07 -1.46 0.00 0.61 0.41 0.00 0.00 173.24 172.73 1wf0 n GLY 4 N 5.07 0.95 3.48 3.44 0.00 -1.26 -5.18 105.19 111.69 1wf0 n GLY 4 Ca 0.13 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 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 1.00 0.07 -0.46 1.61 1.04 -1.26 -5.10 113.70 110.60 1wf0 s SER 5 Ca 0.00 -1.10 0.09 0.00 0.48 0.00 0.00 55.95 55.41 1wf0 s SER 5 Cb 0.00 0.54 0.32 0.00 0.10 0.00 0.00 66.02 66.99 1wf0 s SER 5 CO 0.00 -1.09 0.77 -1.54 0.98 0.00 0.00 173.24 172.37 1wf0 n SER 6 N -0.47 2.16 -3.69 7.02 3.41 -1.26 -4.49 113.62 116.31 1wf0 n SER 6 Ca -0.00 -3.22 -0.14 0.00 -0.26 0.00 0.00 58.87 55.25 1wf0 n SER 6 Cb 0.63 -0.61 -0.09 0.00 -0.26 0.00 0.00 64.21 63.88 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 -2.59 -0.39 0.24 5.00 0.00 -1.26 -1.99 107.32 106.33 1wf0 s GLY 7 Ca 0.42 1.34 0.01 0.00 0.00 0.00 0.00 44.72 46.49 1wf0 s GLY 7 CO -0.10 1.12 0.14 -1.34 0.00 0.00 0.00 173.10 172.93 1wf0 s VAL 8 N -0.03 0.14 -0.33 1.40 -7.23 -1.16 -4.87 120.40 108.31 1wf0 s VAL 8 Ca -0.02 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.13 1wf0 s VAL 8 Cb -0.03 -2.53 0.07 0.00 0.56 0.00 0.00 36.38 34.45 1wf0 s VAL 8 CO 0.02 0.00 0.06 -0.36 -0.31 0.00 0.00 175.10 174.51 1wf0 s PHE 9 N -3.95 3.42 -1.24 2.82 0.40 -0.33 -2.85 117.98 116.24 1wf0 s PHE 9 Ca 0.39 -2.18 -0.20 0.00 -0.60 0.00 0.00 56.93 54.33 1wf0 s PHE 9 Cb 0.06 -2.51 -0.00 0.00 0.51 0.00 0.00 43.02 41.08 1wf0 s PHE 9 CO 0.15 -0.87 1.85 0.28 0.70 0.00 0.00 175.22 177.32 1wf0 n VAL 10 N 4.56 3.02 -1.26 -0.44 0.31 0.48 -4.05 118.33 120.96 1wf0 n VAL 10 Ca -0.08 -3.11 -0.28 0.00 -0.01 0.00 0.00 64.34 60.87 1wf0 n VAL 10 Cb 0.43 -2.29 0.22 0.00 -0.91 0.00 0.00 33.84 31.29 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 5.45 -2.38 2.82 2.92 0.00 -1.25 -3.06 105.19 109.69 1wf0 n GLY 11 Ca 0.48 -1.55 -0.17 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.92 -3.33 1.61 5.12 -0.50 -3.98 116.66 108.34 1wf0 n ARG 12 Ca 0.15 0.60 -0.21 0.00 -1.93 0.00 0.00 57.85 56.45 1wf0 n ARG 12 Cb 0.55 -5.27 0.02 0.00 -1.16 0.00 0.00 32.46 26.60 1wf0 n ARG 12 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1wf0 s THR 14 N -2.62 1.50 0.19 0.00 -1.32 -1.26 -4.49 115.64 107.65 1wf0 s THR 14 Ca 0.52 -1.09 -0.11 0.00 -1.21 0.00 0.00 61.69 59.80 1wf0 s THR 14 Cb -0.05 -1.31 0.12 0.00 -1.51 0.00 0.00 72.50 69.75 1wf0 s THR 14 CO 0.32 0.19 1.81 1.23 -2.21 0.00 0.00 174.62 175.96 1wf0 h GLY 15 N 5.01 1.03 -0.73 6.08 0.00 -1.98 -2.99 103.07 109.49 1wf0 h GLY 15 Ca -0.41 -0.47 0.17 0.00 0.00 0.00 0.00 47.33 46.63 1wf0 h GLY 15 CO 0.45 0.45 -0.08 1.34 0.00 0.00 0.00 176.54 178.70 1wf0 n ASP 16 N -4.50 -0.17 -4.26 0.19 -0.08 -1.26 -4.41 116.55 102.06 1wf0 n ASP 16 Ca 0.06 1.24 -0.31 0.00 -1.51 0.00 0.00 54.79 54.27 1wf0 n ASP 16 Cb 0.09 -0.42 0.20 0.00 2.34 0.00 0.00 41.12 43.34 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 -5.08 -2.02 -4.08 -0.67 2.81 -1.13 -5.04 117.12 101.91 1wf0 n MET 17 Ca 0.15 -0.57 -0.14 0.00 -1.81 0.00 0.00 57.70 55.32 1wf0 n MET 17 Cb 0.47 -1.80 -0.12 0.00 -0.71 0.00 0.00 33.22 31.06 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 -2.26 0.63 0.47 2.03 -4.23 -1.26 -5.02 115.64 106.00 1wf0 s THR 18 Ca 0.59 -1.11 0.33 0.00 -1.18 0.00 0.00 61.69 60.32 1wf0 s THR 18 Cb -0.15 -0.68 0.53 0.00 1.34 0.00 0.00 72.50 73.54 1wf0 s THR 18 CO 0.64 -0.35 1.66 -0.33 -0.54 0.00 0.00 174.62 175.70 1wf0 h GLU 19 N 4.48 0.10 0.27 3.99 5.08 -1.96 0.23 114.58 126.77 1wf0 h GLU 19 Ca -0.36 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 1wf0 h GLU 19 Cb 1.20 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1wf0 h GLU 19 CO 0.41 0.07 -0.13 -0.44 -1.00 0.00 0.00 179.01 177.91 1wf0 h ASP 20 N 0.10 -0.31 -0.27 1.42 5.19 -1.97 -0.55 116.42 120.03 1wf0 h ASP 20 Ca 0.77 -0.16 0.03 0.00 -0.62 0.00 0.00 57.03 57.05 1wf0 h ASP 20 Cb 2.58 0.08 -0.04 0.00 0.18 0.00 0.00 39.33 42.12 1wf0 h ASP 20 CO -0.27 0.00 -0.28 -0.33 -3.12 0.00 0.00 179.24 175.24 1wf0 h GLU 21 N -0.64 -0.15 0.02 3.56 4.39 -0.95 0.26 114.58 121.07 1wf0 h GLU 21 Ca -0.04 0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.69 1wf0 h GLU 21 Cb 0.46 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 1wf0 h GLU 21 CO 0.06 -0.10 -0.14 -0.07 -1.16 0.00 0.00 179.01 177.60 1wf0 h LEU 22 N -0.15 -0.41 -1.27 1.33 3.38 -1.60 0.92 115.31 117.50 1wf0 h LEU 22 Ca 0.05 0.06 0.30 0.00 0.09 0.00 0.00 57.88 58.37 1wf0 h LEU 22 Cb 0.27 0.17 -0.11 0.00 0.09 0.00 0.00 40.66 41.08 1wf0 h LEU 22 CO -0.33 -0.20 0.68 -0.09 0.09 0.00 0.00 178.44 178.58 1wf0 h ARG 23 N -0.25 0.35 0.00 1.13 2.43 -0.44 0.83 114.38 118.43 1wf0 h ARG 23 Ca 0.04 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.05 1wf0 h ARG 23 Cb 0.30 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1wf0 h ARG 23 CO -0.12 0.23 -0.84 0.93 -1.51 0.00 0.00 179.97 178.66 1wf0 h GLU 24 N 0.36 0.00 0.00 0.20 3.07 0.38 -2.50 114.58 116.10 1wf0 h GLU 24 Ca 0.66 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 59.37 1wf0 h GLU 24 Cb 1.66 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.55 1wf0 h GLU 24 CO -0.38 0.53 -0.71 0.35 -1.40 0.00 0.00 179.01 177.39 1wf0 h PHE 25 N 0.00 0.00 0.00 4.33 3.57 0.29 -3.18 116.94 121.95 1wf0 h PHE 25 Ca -0.05 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1wf0 h PHE 25 Cb 1.51 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.25 1wf0 h PHE 25 CO 0.00 0.71 -1.07 1.19 -2.23 0.00 0.00 178.31 176.92 1wf0 n PHE 26 N -3.49 0.53 -0.14 0.41 3.72 0.11 -4.10 117.46 114.50 1wf0 n PHE 26 Ca -0.00 0.15 0.14 0.00 -0.05 0.00 0.00 57.45 57.69 1wf0 n PHE 26 Cb 0.75 -0.66 0.50 0.00 -0.94 0.00 0.00 39.48 39.12 1wf0 n PHE 26 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1wf0 h SER 27 N 0.00 0.39 0.02 4.37 0.87 -1.42 -0.21 113.55 117.58 1wf0 h SER 27 Ca 0.00 0.02 -0.19 0.00 -1.23 0.00 0.00 61.79 60.39 1wf0 h SER 27 Cb 0.86 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1wf0 h SER 27 CO 0.00 0.22 -0.66 0.06 -0.53 0.00 0.00 176.83 175.91 1wf0 h GLN 28 N 0.43 0.60 0.24 2.24 3.07 -1.72 -3.29 115.11 116.68 1wf0 h GLN 28 Ca 0.34 -0.44 -0.01 0.00 0.09 0.00 0.00 58.65 58.62 1wf0 h GLN 28 Cb 0.72 0.08 0.00 0.00 0.08 0.00 0.00 27.48 28.36 1wf0 h GLN 28 CO -0.10 1.06 -0.12 1.88 0.09 0.00 0.00 178.83 181.64 1wf0 h TYR 29 N 0.43 -0.30 -2.85 0.06 -1.99 -1.28 -3.48 116.97 107.55 1wf0 h TYR 29 Ca -0.02 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.69 1wf0 h TYR 29 Cb 1.25 0.10 0.01 0.00 2.00 0.00 0.00 36.73 40.08 1wf0 h TYR 29 CO 0.06 -0.03 0.27 0.41 -0.00 0.00 0.00 178.16 178.87 1wf0 n GLY 30 N -0.58 1.05 3.57 3.88 0.00 -0.62 -5.06 105.19 107.43 1wf0 n GLY 30 Ca -0.09 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.38 1wf0 n GLY 30 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wf0 n ASP 31 N -1.46 3.61 -4.55 1.61 8.00 -1.26 -4.21 116.55 118.29 1wf0 n ASP 31 Ca -0.07 -2.76 -0.30 0.00 0.71 0.00 0.00 54.79 52.36 1wf0 n ASP 31 Cb 0.53 -1.74 -0.04 0.00 -0.02 0.00 0.00 41.12 39.85 1wf0 n ASP 31 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wf0 s VAL 32 N 9.06 3.13 0.15 2.53 0.11 -1.26 -0.83 120.40 133.29 1wf0 s VAL 32 Ca 0.64 -0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 59.38 1wf0 s VAL 32 Cb 0.01 -3.33 -0.08 0.00 -1.53 0.00 0.00 36.38 31.44 1wf0 s VAL 32 CO 0.12 -0.32 1.54 0.24 -3.33 0.00 0.00 175.10 173.35 1wf0 h MET 33 N 16.01 -0.13 -2.75 1.54 2.86 -1.63 -3.46 114.93 127.36 1wf0 h MET 33 Ca -0.15 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.58 1wf0 h MET 33 Cb 1.15 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.82 1wf0 h MET 33 CO 1.14 -0.09 0.42 0.34 1.06 0.00 0.00 176.91 179.79 1wf0 s ASP 34 N -5.33 -0.02 -0.04 1.22 2.15 -1.16 -5.00 116.67 108.49 1wf0 s ASP 34 Ca -0.13 -0.87 0.01 0.00 0.43 0.00 0.00 52.55 51.99 1wf0 s ASP 34 Cb 0.10 0.67 0.02 0.00 -0.30 0.00 0.00 42.92 43.41 1wf0 s ASP 34 CO 0.61 -1.32 -0.04 -0.69 -0.17 0.00 0.00 175.17 173.56 1wf0 s VAL 35 N -2.37 0.52 -0.02 1.11 1.01 -1.26 -1.66 120.40 117.73 1wf0 s VAL 35 Ca 0.18 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.06 1wf0 s VAL 35 Cb -0.04 -0.54 -0.00 0.00 0.00 0.00 0.00 36.38 35.80 1wf0 s VAL 35 CO 0.08 0.21 -0.11 0.12 0.00 0.00 0.00 175.10 175.40 1wf0 s PHE 36 N 0.82 1.07 -0.46 5.22 5.36 -0.75 -5.02 117.98 124.22 1wf0 s PHE 36 Ca -0.11 -0.24 0.00 0.00 -0.96 0.00 0.00 56.93 55.62 1wf0 s PHE 36 Cb -0.14 -0.72 0.12 0.00 -0.34 0.00 0.00 43.02 41.95 1wf0 s PHE 36 CO 0.00 -0.06 0.22 0.42 -1.46 0.00 0.00 175.22 174.34 1wf0 s ILE 37 N -0.06 3.00 0.35 3.12 1.01 -1.26 -1.84 121.20 125.52 1wf0 s ILE 37 Ca 0.01 -2.55 -0.28 0.00 0.00 0.00 0.00 60.65 57.84 1wf0 s ILE 37 Cb -0.07 -3.07 -0.09 0.00 0.01 0.00 0.00 42.46 39.24 1wf0 s ILE 37 CO 0.00 -0.73 1.21 -2.16 0.00 0.00 0.00 174.94 173.27 1wf0 s PRO 38 N 0.57 4.30 0.10 2.79 0.04 -1.26 -4.98 135.00 136.56 1wf0 s PRO 38 Ca 0.12 1.99 0.03 0.00 0.04 0.00 0.00 61.00 63.18 1wf0 s PRO 38 Cb -0.22 -2.95 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 1wf0 s PRO 38 CO -0.04 -0.16 0.11 0.15 0.04 0.00 0.00 177.00 177.10 1wf0 s LYS 39 N -1.91 2.95 0.71 4.56 -0.14 -1.26 -3.80 119.74 120.85 1wf0 s LYS 39 Ca 0.51 -0.70 -0.13 0.00 -1.36 0.00 0.00 55.97 54.29 1wf0 s LYS 39 Cb -0.35 -2.75 0.02 0.00 -1.68 0.00 0.00 37.83 33.08 1wf0 s LYS 39 CO 0.45 0.55 1.10 -1.25 -0.76 0.00 0.00 175.35 175.45 1wf0 s PRO 40 N -2.56 2.55 -0.45 -1.68 0.04 -1.26 -5.10 135.00 126.54 1wf0 s PRO 40 Ca 0.30 1.30 -0.23 0.00 0.04 0.00 0.00 61.00 62.42 1wf0 s PRO 40 Cb -0.12 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.52 1wf0 s PRO 40 CO 0.23 -1.43 0.76 0.12 0.04 0.00 0.00 177.00 176.72 1wf0 s PHE 41 N -2.57 3.01 -0.81 0.56 2.19 -1.25 -4.99 117.98 114.12 1wf0 s PHE 41 Ca 0.65 0.12 -0.00 0.00 0.33 0.00 0.00 56.93 58.02 1wf0 s PHE 41 Cb -0.19 -3.60 0.20 0.00 -1.31 0.00 0.00 43.02 38.12 1wf0 s PHE 41 CO 0.48 -0.96 0.66 1.03 1.83 0.00 0.00 175.22 178.26 1wf0 s ARG 42 N 3.19 2.98 -1.10 10.12 0.52 -1.26 -4.81 118.95 128.59 1wf0 s ARG 42 Ca 0.28 -3.19 -0.14 0.00 -0.52 0.00 0.00 55.73 52.16 1wf0 s ARG 42 Cb -0.12 -3.79 0.14 0.00 0.52 0.00 0.00 34.95 31.69 1wf0 s ARG 42 CO 0.22 -1.25 0.35 0.00 0.02 0.00 0.00 175.30 174.63 1wf0 n ALA 43 N 2.40 -0.93 -3.03 2.13 0.00 -1.26 -4.84 120.51 114.98 1wf0 n ALA 43 Ca 0.19 -0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.39 1wf0 n ALA 43 Cb 0.36 -1.58 -0.07 0.00 0.00 0.00 0.00 19.45 18.17 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 -2.48 -0.15 0.05 0.00 -0.12 -1.26 -1.40 117.98 112.62 1wf0 s PHE 44 Ca 0.49 0.01 -0.14 0.00 -0.05 0.00 0.00 56.93 57.24 1wf0 s PHE 44 Cb -0.28 0.14 0.02 0.00 -0.63 0.00 0.00 43.02 42.27 1wf0 s PHE 44 CO 0.60 -0.55 0.32 0.00 -0.05 0.00 0.00 175.22 175.54 1wf0 s ALA 45 N -2.72 -0.72 -0.16 1.99 0.00 -1.17 -4.87 121.76 114.12 1wf0 s ALA 45 Ca -0.04 0.01 -0.07 0.00 0.00 0.00 0.00 51.96 51.86 1wf0 s ALA 45 Cb -0.00 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.43 1wf0 s ALA 45 CO -0.04 -0.44 0.10 0.12 0.00 0.00 0.00 175.76 175.50 1wf0 s PHE 46 N -2.69 3.39 -0.09 0.00 5.36 -0.76 -0.38 117.98 122.80 1wf0 s PHE 46 Ca -0.04 0.30 0.00 0.00 -0.96 0.00 0.00 56.93 56.23 1wf0 s PHE 46 Cb -0.00 -2.02 0.02 0.00 -0.34 0.00 0.00 43.02 40.68 1wf0 s PHE 46 CO -0.04 0.41 -0.07 0.08 -1.46 0.00 0.00 175.22 174.14 1wf0 s VAL 47 N -0.23 0.92 -0.01 3.12 1.01 -1.13 -1.81 120.40 122.26 1wf0 s VAL 47 Ca 0.09 -0.26 -0.10 0.00 0.00 0.00 0.00 61.98 61.71 1wf0 s VAL 47 Cb -0.12 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 1wf0 s VAL 47 CO 0.01 0.33 0.31 -0.89 0.00 0.00 0.00 175.10 174.86 1wf0 s THR 48 N 1.39 5.23 0.02 3.92 2.01 -0.66 -3.00 115.64 124.54 1wf0 s THR 48 Ca -0.02 0.44 0.08 0.00 0.31 0.00 0.00 61.69 62.50 1wf0 s THR 48 Cb -0.13 -3.59 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 1wf0 s THR 48 CO -0.04 0.48 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.78 1wf0 s PHE 49 N -1.18 2.02 -1.27 4.92 0.08 -0.84 -1.83 117.98 119.87 1wf0 s PHE 49 Ca 0.24 -0.39 0.10 0.00 0.12 0.00 0.00 56.93 57.00 1wf0 s PHE 49 Cb -0.14 -1.24 0.46 0.00 -0.57 0.00 0.00 43.02 41.53 1wf0 s PHE 49 CO 0.13 0.05 1.24 0.00 -0.10 0.00 0.00 175.22 176.54 1wf0 n ALA 50 N 2.09 1.55 -3.73 5.36 0.00 -0.01 -4.51 120.51 121.26 1wf0 n ALA 50 Ca -0.16 -0.04 -0.15 0.00 0.00 0.00 0.00 53.44 53.08 1wf0 n ALA 50 Cb 0.53 -1.16 -0.15 0.00 0.00 0.00 0.00 19.45 18.67 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 -2.73 0.18 0.31 0.00 1.11 -1.26 -5.03 116.67 109.25 1wf0 s ASP 51 Ca 0.08 0.23 0.01 0.00 0.18 0.00 0.00 52.55 53.04 1wf0 s ASP 51 Cb 0.06 0.12 0.54 0.00 1.07 0.00 0.00 42.92 44.72 1wf0 s ASP 51 CO 0.16 -0.17 1.95 0.44 1.18 0.00 0.00 175.17 178.73 1wf0 h ASP 52 N 7.55 0.87 -0.45 0.27 3.32 -1.79 -1.37 116.42 124.81 1wf0 h ASP 52 Ca -0.36 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 56.70 1wf0 h ASP 52 Cb 1.13 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.46 1wf0 h ASP 52 CO 0.37 0.59 0.30 1.56 -1.72 0.00 0.00 179.24 180.33 1wf0 h GLN 53 N 1.00 0.54 -0.17 3.56 4.20 -1.90 0.97 115.11 123.30 1wf0 h GLN 53 Ca 0.33 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.97 1wf0 h GLN 53 Cb 0.07 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1wf0 h GLN 53 CO -0.10 0.35 -0.06 0.82 -0.67 0.00 0.00 178.83 179.17 1wf0 h ILE 54 N 0.55 1.15 0.00 2.54 2.04 -1.66 0.18 117.51 122.32 1wf0 h ILE 54 Ca 0.17 -0.63 -0.10 0.00 1.00 0.00 0.00 64.86 65.30 1wf0 h ILE 54 Cb 0.02 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1wf0 h ILE 54 CO -0.04 0.20 -1.30 0.00 0.00 0.00 0.00 178.15 177.01 1wf0 n ALA 55 N -2.49 2.17 0.06 1.87 0.00 -0.47 -3.60 120.51 118.05 1wf0 n ALA 55 Ca -0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 53.44 52.90 1wf0 n ALA 55 Cb 0.22 -0.99 -0.13 0.00 0.00 0.00 0.00 19.45 18.55 1wf0 n ALA 55 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1wf0 h GLN 56 N 0.00 0.07 0.00 0.00 1.08 -0.39 -2.96 115.11 112.92 1wf0 h GLN 56 Ca -0.11 -0.13 -0.09 0.00 -1.45 0.00 0.00 58.65 56.88 1wf0 h GLN 56 Cb 1.36 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.83 1wf0 h GLN 56 CO 0.03 1.00 -0.42 1.03 -0.95 0.00 0.00 178.83 179.52 1wf0 h SER 57 N 0.02 0.00 1.44 1.46 0.87 -0.79 -3.07 113.55 113.47 1wf0 h SER 57 Ca -0.08 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.47 1wf0 h SER 57 Cb 1.86 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.81 1wf0 h SER 57 CO 0.14 0.42 -0.57 -0.07 -0.53 0.00 0.00 176.83 176.22 1wf0 h LEU 58 N 0.00 0.00 -8.84 2.23 3.38 -1.62 -3.45 115.31 107.02 1wf0 h LEU 58 Ca -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1wf0 h LEU 58 Cb 1.12 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1wf0 h LEU 58 CO 0.05 0.02 1.51 0.00 0.09 0.00 0.00 178.44 180.12 1wf0 n GLY 60 N 5.81 1.20 3.36 0.00 0.00 -0.42 -5.02 105.19 110.12 1wf0 n GLY 60 Ca 0.31 0.00 -0.32 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 -0.24 2.49 -0.40 1.61 2.02 -0.36 -5.01 118.70 118.81 1wf0 s GLU 61 Ca 0.00 -0.82 -0.16 0.00 0.02 0.00 0.00 54.97 54.01 1wf0 s GLU 61 Cb 0.00 -2.24 0.01 0.00 0.10 0.00 0.00 34.13 32.00 1wf0 s GLU 61 CO 0.00 0.50 0.37 -0.51 0.02 0.00 0.00 175.26 175.64 1wf0 s ASP 62 N -0.43 6.16 0.18 -0.19 1.11 -1.26 -3.45 116.67 118.79 1wf0 s ASP 62 Ca 0.05 -0.66 0.06 0.00 0.18 0.00 0.00 52.55 52.17 1wf0 s ASP 62 Cb -0.12 -2.19 -0.04 0.00 1.07 0.00 0.00 42.92 41.64 1wf0 s ASP 62 CO 0.01 -0.48 0.11 -0.76 1.18 0.00 0.00 175.17 175.23 1wf0 s LEU 63 N 1.95 3.67 -0.13 1.23 1.43 -1.17 -4.98 118.68 120.68 1wf0 s LEU 63 Ca 0.09 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 1wf0 s LEU 63 Cb -0.18 -2.28 -0.01 0.00 0.03 0.00 0.00 46.19 43.76 1wf0 s LEU 63 CO 0.12 0.06 -0.16 -0.63 0.23 0.00 0.00 176.35 175.96 1wf0 s ILE 64 N -1.82 2.72 -0.25 -0.59 -1.09 -1.26 -2.25 121.20 116.66 1wf0 s ILE 64 Ca 0.30 -0.77 0.00 0.00 -2.23 0.00 0.00 60.65 57.95 1wf0 s ILE 64 Cb -0.09 -2.12 0.07 0.00 -1.58 0.00 0.00 42.46 38.73 1wf0 s ILE 64 CO 0.22 0.53 0.00 -0.63 -1.23 0.00 0.00 174.94 173.83 1wf0 s ILE 65 N 0.46 1.33 0.00 2.92 1.01 -0.39 -4.72 121.20 121.81 1wf0 s ILE 65 Ca -0.12 -1.28 0.00 0.00 0.00 0.00 0.00 60.65 59.25 1wf0 s ILE 65 Cb -0.16 -1.75 0.00 0.00 0.01 0.00 0.00 42.46 40.55 1wf0 s ILE 65 CO 0.05 -0.28 0.00 0.29 0.00 0.00 0.00 174.94 175.00 1wf0 n LYS 66 N 4.72 -0.23 0.00 2.79 5.02 -1.26 -2.37 118.16 126.82 1wf0 n LYS 66 Ca -0.08 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1wf0 n LYS 66 Cb 0.44 -3.52 0.00 0.00 -0.02 0.00 0.00 35.03 31.93 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 -1.80 1.43 3.84 0.72 0.00 -1.26 -5.11 105.19 103.02 1wf0 n GLY 67 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.38 4.44 -0.19 -0.61 -5.25 -1.00 -5.02 121.20 112.19 1wf0 s ILE 68 Ca 0.00 1.10 -0.02 0.00 -0.99 0.00 0.00 60.65 60.74 1wf0 s ILE 68 Cb 0.00 -3.69 -0.00 0.00 2.95 0.00 0.00 42.46 41.72 1wf0 s ILE 68 CO 0.00 -0.74 -0.09 -0.55 -1.79 0.00 0.00 174.94 171.77 1wf0 s SER 69 N -3.21 4.00 0.13 4.36 0.15 -1.26 -1.26 113.70 116.60 1wf0 s SER 69 Ca 0.59 -0.43 0.10 0.00 0.70 0.00 0.00 55.95 56.91 1wf0 s SER 69 Cb -0.11 -1.66 -0.04 0.00 -1.71 0.00 0.00 66.02 62.50 1wf0 s SER 69 CO 0.36 0.03 -0.21 0.68 1.20 0.00 0.00 173.24 175.30 1wf0 s VAL 70 N 1.18 2.64 -0.22 4.45 -7.23 -0.95 -4.82 120.40 115.43 1wf0 s VAL 70 Ca 0.02 -1.63 -0.05 0.00 -1.81 0.00 0.00 61.98 58.51 1wf0 s VAL 70 Cb -0.14 -2.20 -0.02 0.00 0.56 0.00 0.00 36.38 34.57 1wf0 s VAL 70 CO -0.03 0.08 -0.00 -2.28 -0.31 0.00 0.00 175.10 172.55 1wf0 s HIS 71 N -1.17 3.01 -0.49 2.82 2.46 -1.26 -3.06 115.29 117.61 1wf0 s HIS 71 Ca 0.17 -0.67 -0.25 0.00 0.47 0.00 0.00 55.06 54.78 1wf0 s HIS 71 Cb -0.10 -2.13 0.03 0.00 -0.13 0.00 0.00 32.58 30.25 1wf0 s HIS 71 CO 0.09 -0.41 0.94 0.42 -2.47 0.00 0.00 174.74 173.31 1wf0 s ILE 72 N 1.38 4.43 0.32 0.89 -1.09 -1.22 -3.82 121.20 122.08 1wf0 s ILE 72 Ca 0.05 0.61 -0.01 0.00 -2.23 0.00 0.00 60.65 59.07 1wf0 s ILE 72 Cb -0.15 -4.48 -0.01 0.00 -1.58 0.00 0.00 42.46 36.25 1wf0 s ILE 72 CO 0.00 -0.94 0.39 -0.55 -1.23 0.00 0.00 174.94 172.61 1wf0 s SER 73 N 2.46 0.96 -0.33 3.58 0.15 -1.26 -1.30 113.70 117.96 1wf0 s SER 73 Ca 0.35 -1.51 -0.02 0.00 0.70 0.00 0.00 55.95 55.48 1wf0 s SER 73 Cb -0.11 0.60 0.07 0.00 -1.71 0.00 0.00 66.02 64.87 1wf0 s SER 73 CO 0.24 -1.18 0.06 0.21 1.20 0.00 0.00 173.24 173.78 1wf0 s ASN 74 N -3.25 4.99 -0.23 5.45 2.47 -1.26 -1.19 114.94 121.93 1wf0 s ASN 74 Ca 0.34 -1.52 -0.03 0.00 0.42 0.00 0.00 52.86 52.06 1wf0 s ASN 74 Cb 0.01 -1.74 0.08 0.00 -1.45 0.00 0.00 41.25 38.14 1wf0 s ASN 74 CO 0.20 -0.34 0.08 0.00 -3.72 0.00 0.00 177.10 173.33 1wf0 s ALA 75 N 1.21 0.81 -0.11 1.71 0.00 -1.26 -5.01 121.76 119.11 1wf0 s ALA 75 Ca -0.01 -0.83 -0.09 0.00 0.00 0.00 0.00 51.96 51.04 1wf0 s ALA 75 Cb -0.20 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.62 1wf0 s ALA 75 CO -0.02 -1.37 0.19 -1.21 0.00 0.00 0.00 175.76 173.34 1wf0 s GLU 76 N 1.97 3.64 0.22 0.00 2.02 -1.26 -4.84 118.70 120.44 1wf0 s GLU 76 Ca 0.04 -0.05 -0.30 0.00 0.02 0.00 0.00 54.97 54.68 1wf0 s GLU 76 Cb -0.17 -3.23 -0.09 0.00 0.10 0.00 0.00 34.13 30.74 1wf0 s GLU 76 CO -0.18 0.69 1.29 -1.25 0.02 0.00 0.00 175.26 175.82 1wf0 s PRO 77 N -0.80 4.40 -0.49 0.39 0.04 -1.26 -5.01 135.00 132.27 1wf0 s PRO 77 Ca 0.16 2.05 -0.04 0.00 0.04 0.00 0.00 61.00 63.20 1wf0 s PRO 77 Cb -0.13 -3.18 0.13 0.00 0.04 0.00 0.00 34.50 31.36 1wf0 s PRO 77 CO 0.05 -0.21 0.31 0.21 0.04 0.00 0.00 177.00 177.39 1wf0 s LYS 78 N -0.36 2.28 -0.03 4.56 2.20 -1.26 -5.05 119.74 122.08 1wf0 s LYS 78 Ca 0.55 -2.03 -0.01 0.00 -0.36 0.00 0.00 55.97 54.13 1wf0 s LYS 78 Cb -0.36 -3.71 0.03 0.00 -1.51 0.00 0.00 37.83 32.28 1wf0 s LYS 78 CO 0.40 -1.13 0.03 -1.58 -0.36 0.00 0.00 175.35 172.70 1wf0 s HIS 79 N 0.82 0.19 0.04 4.03 2.46 -1.26 -5.07 115.29 116.49 1wf0 s HIS 79 Ca 0.10 0.10 -0.07 0.00 0.47 0.00 0.00 55.06 55.66 1wf0 s HIS 79 Cb -0.22 -0.41 -0.02 0.00 -0.13 0.00 0.00 32.58 31.80 1wf0 s HIS 79 CO -0.03 -0.15 1.13 -0.91 -2.47 0.00 0.00 174.74 172.30 1wf0 h ASN 80 N 7.69 -0.50 -3.40 9.88 4.21 -2.07 -3.47 115.58 127.91 1wf0 h ASN 80 Ca -0.33 0.08 0.00 0.00 1.21 0.00 0.00 56.30 57.26 1wf0 h ASN 80 Cb 1.12 0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 38.53 1wf0 h ASN 80 CO 0.37 -0.06 -0.26 -0.24 -1.29 0.00 0.00 177.43 175.95 1wf0 n SER 81 N -3.51 -2.41 -3.70 5.81 2.88 -1.26 -5.07 113.62 106.36 1wf0 n SER 81 Ca 0.00 0.27 -0.27 0.00 -1.33 0.00 0.00 58.87 57.55 1wf0 n SER 81 Cb 0.06 -1.85 -0.17 0.00 -0.75 0.00 0.00 64.21 61.51 1wf0 n SER 81 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1wf0 s ASN 82 N -0.22 2.77 0.12 -3.46 -0.87 -1.26 -5.13 114.94 106.88 1wf0 s ASN 82 Ca -0.03 -0.78 0.05 0.00 -1.57 0.00 0.00 52.86 50.54 1wf0 s ASN 82 Cb 0.00 -0.50 -0.04 0.00 -0.02 0.00 0.00 41.25 40.70 1wf0 s ASN 82 CO 0.16 -0.32 -0.13 -0.44 -2.57 0.00 0.00 177.10 173.79 1wf0 s SER 83 N 1.94 1.86 -0.16 -1.22 0.01 -1.26 -5.16 113.70 109.71 1wf0 s SER 83 Ca 0.00 -0.81 -0.30 0.00 1.31 0.00 0.00 55.95 56.15 1wf0 s SER 83 Cb -0.17 -0.05 0.12 0.00 0.21 0.00 0.00 66.02 66.14 1wf0 s SER 83 CO -0.09 -0.17 0.98 -0.83 0.41 0.00 0.00 173.24 173.54 1wf0 s GLY 84 N -2.45 -0.28 0.05 3.44 0.00 -1.26 -5.14 107.32 101.68 1wf0 s GLY 84 Ca 0.08 2.05 -0.31 0.00 0.00 0.00 0.00 44.72 46.54 1wf0 s GLY 84 CO 0.02 1.10 1.42 2.56 0.00 0.00 0.00 173.10 178.20 1wf0 s PRO 85 N -0.98 4.29 -0.08 2.90 0.04 -1.26 -5.02 135.00 134.89 1wf0 s PRO 85 Ca -0.02 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.07 1wf0 s PRO 85 Cb -0.01 -3.46 -0.02 0.00 0.04 0.00 0.00 34.50 31.05 1wf0 s PRO 85 CO 0.01 -0.54 -0.14 0.45 0.04 0.00 0.00 177.00 176.83 1wf0 s SER 86 N 1.65 4.03 0.17 6.66 0.15 -1.26 -5.11 113.70 120.00 1wf0 s SER 86 Ca 0.65 -0.24 -0.24 0.00 0.70 0.00 0.00 55.95 56.82 1wf0 s SER 86 Cb -0.34 -1.12 0.06 0.00 -1.71 0.00 0.00 66.02 62.90 1wf0 s SER 86 CO 0.28 0.28 0.85 -0.94 1.20 0.00 0.00 173.24 174.91 1wf0 s SER 87 N -0.35 -0.26 0.00 5.45 1.04 -1.26 -5.37 113.70 112.95 1wf0 s SER 87 Ca 0.03 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.09 1wf0 s SER 87 Cb -0.12 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1wf0 s SER 87 CO 0.02 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.85