#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 5.80 0.33 1.61 0.15 -1.26 -4.47 113.70 115.86 1wf0 s SER 2 Ca 0.00 1.97 0.00 0.00 0.70 0.00 0.00 55.95 58.62 1wf0 s SER 2 Cb 0.00 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 1wf0 s SER 2 CO 0.00 -1.68 0.00 -0.24 1.20 0.00 0.00 173.24 172.52 1wf0 n SER 3 N 10.35 -8.47 0.00 5.45 2.88 -1.26 -5.07 113.62 117.51 1wf0 n SER 3 Ca 0.26 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.97 1wf0 n SER 3 Cb 0.44 -4.26 0.00 0.00 -0.75 0.00 0.00 64.21 59.64 1wf0 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wf0 n GLY 4 N 0.43 -0.21 3.17 0.46 0.00 -1.26 -5.14 105.19 102.64 1wf0 n GLY 4 Ca 0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 46.02 45.09 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 -4.00 1.39 -0.98 1.61 0.01 -1.26 -5.06 113.70 105.41 1wf0 s SER 5 Ca 0.00 -0.83 -0.03 0.00 1.31 0.00 0.00 55.95 56.40 1wf0 s SER 5 Cb 0.00 0.02 0.22 0.00 0.21 0.00 0.00 66.02 66.47 1wf0 s SER 5 CO 0.00 -0.29 2.21 -1.20 0.41 0.00 0.00 173.24 174.37 1wf0 n SER 6 N 0.51 7.44 -4.56 2.44 7.64 -1.26 -4.95 113.62 120.89 1wf0 n SER 6 Ca -0.16 -3.46 -0.26 0.00 1.01 0.00 0.00 58.87 56.00 1wf0 n SER 6 Cb 0.58 -1.22 -0.11 0.00 -1.01 0.00 0.00 64.21 62.45 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 -0.46 2.32 0.04 0.23 0.00 -1.26 -0.92 107.32 107.26 1wf0 s GLY 7 Ca 0.50 -2.19 -0.23 0.00 0.00 0.00 0.00 44.72 42.79 1wf0 s GLY 7 CO -0.19 -2.00 0.53 -1.34 0.00 0.00 0.00 173.10 170.09 1wf0 s VAL 8 N -2.86 0.03 -0.36 1.40 -7.23 -1.03 -4.77 120.40 105.58 1wf0 s VAL 8 Ca 0.35 -0.23 -0.14 0.00 -1.81 0.00 0.00 61.98 60.15 1wf0 s VAL 8 Cb 0.08 -0.96 -0.00 0.00 0.56 0.00 0.00 36.38 36.06 1wf0 s VAL 8 CO 0.17 -0.12 0.29 -0.36 -0.31 0.00 0.00 175.10 174.76 1wf0 s PHE 9 N -2.28 3.23 -1.11 2.82 0.08 -0.74 -2.57 117.98 117.40 1wf0 s PHE 9 Ca -0.06 -0.29 -0.14 0.00 0.12 0.00 0.00 56.93 56.55 1wf0 s PHE 9 Cb -0.01 -2.56 0.18 0.00 -0.57 0.00 0.00 43.02 40.05 1wf0 s PHE 9 CO -0.00 -0.45 1.29 0.08 -0.10 0.00 0.00 175.22 176.04 1wf0 s VAL 10 N 1.78 5.10 0.49 -0.44 1.01 -0.18 -3.42 120.40 124.74 1wf0 s VAL 10 Ca 0.07 -2.46 -0.08 0.00 0.00 0.00 0.00 61.98 59.51 1wf0 s VAL 10 Cb -0.18 -4.82 0.13 0.00 0.00 0.00 0.00 36.38 31.50 1wf0 s VAL 10 CO 0.11 -1.52 0.35 0.61 0.00 0.00 0.00 175.10 174.65 1wf0 n GLY 11 N 4.28 -3.26 3.95 4.51 0.00 -1.24 -2.85 105.19 110.60 1wf0 n GLY 11 Ca 0.31 -1.35 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 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 -3.08 -4.38 -3.76 1.61 5.12 -0.41 -4.22 116.66 107.54 1wf0 n ARG 12 Ca 0.05 0.51 -0.21 0.00 -1.93 0.00 0.00 57.85 56.27 1wf0 n ARG 12 Cb 0.22 -5.12 -0.02 0.00 -1.16 0.00 0.00 32.46 26.37 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 -2.21 1.47 0.16 0.00 -4.23 -1.26 -4.34 115.64 105.24 1wf0 s THR 14 Ca 0.40 -1.54 -0.16 0.00 -1.18 0.00 0.00 61.69 59.22 1wf0 s THR 14 Cb -0.08 -1.43 0.03 0.00 1.34 0.00 0.00 72.50 72.37 1wf0 s THR 14 CO 0.28 -0.19 1.75 1.23 -0.54 0.00 0.00 174.62 177.15 1wf0 h GLY 15 N 3.97 0.48 -0.90 3.99 0.00 -2.00 -2.85 103.07 105.76 1wf0 h GLY 15 Ca -0.43 -0.07 0.12 0.00 0.00 0.00 0.00 47.33 46.95 1wf0 h GLY 15 CO 0.43 0.03 -0.40 1.34 0.00 0.00 0.00 176.54 177.94 1wf0 n ASP 16 N -5.02 -0.68 -4.35 0.19 2.03 -1.26 -4.51 116.55 102.96 1wf0 n ASP 16 Ca 0.02 1.57 -0.38 0.00 0.52 0.00 0.00 54.79 56.52 1wf0 n ASP 16 Cb 0.14 -0.32 0.03 0.00 -0.72 0.00 0.00 41.12 40.25 1wf0 n ASP 16 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 1wf0 n MET 17 N -5.27 0.24 -4.43 -0.67 2.81 -1.08 -5.00 117.12 103.73 1wf0 n MET 17 Ca 0.07 0.10 -0.21 0.00 -1.81 0.00 0.00 57.70 55.85 1wf0 n MET 17 Cb 0.33 -1.38 -0.14 0.00 -0.71 0.00 0.00 33.22 31.32 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 -1.88 1.17 0.54 2.03 -4.23 -1.26 -5.00 115.64 107.01 1wf0 s THR 18 Ca 0.62 -0.95 0.47 0.00 -1.18 0.00 0.00 61.69 60.65 1wf0 s THR 18 Cb -0.44 -1.04 0.70 0.00 1.34 0.00 0.00 72.50 73.06 1wf0 s THR 18 CO 0.61 0.08 1.49 -0.62 -0.54 0.00 0.00 174.62 175.65 1wf0 n GLU 19 N 2.04 0.00 0.11 3.99 4.71 -1.26 0.65 120.64 130.88 1wf0 n GLU 19 Ca -0.17 1.05 -0.12 0.00 -0.01 0.00 0.00 57.16 57.91 1wf0 n GLU 19 Cb 0.55 -2.43 -0.08 0.00 -1.01 0.00 0.00 31.44 28.47 1wf0 n GLU 19 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 1wf0 h ASP 20 N 0.00 -0.28 -0.29 1.62 1.82 -1.94 -0.81 116.42 116.53 1wf0 h ASP 20 Ca 0.88 -0.25 0.06 0.00 -0.39 0.00 0.00 57.03 57.33 1wf0 h ASP 20 Cb 3.62 0.07 -0.08 0.00 0.68 0.00 0.00 39.33 43.62 1wf0 h ASP 20 CO -0.01 0.19 -0.42 -0.33 -1.61 0.00 0.00 179.24 177.06 1wf0 h GLU 21 N -0.83 -0.37 -0.46 0.28 4.39 -0.19 0.26 114.58 117.66 1wf0 h GLU 21 Ca -0.03 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1wf0 h GLU 21 Cb 0.51 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 1wf0 h GLU 21 CO 0.05 -0.25 0.27 -0.07 -1.16 0.00 0.00 179.01 177.86 1wf0 h LEU 22 N -0.39 0.56 -1.66 1.33 3.38 -1.59 0.17 115.31 117.11 1wf0 h LEU 22 Ca 0.11 -0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.10 1wf0 h LEU 22 Cb 0.60 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1wf0 h LEU 22 CO -0.50 0.46 0.36 -0.09 0.09 0.00 0.00 178.44 178.75 1wf0 h ARG 23 N 0.61 0.39 0.00 1.13 2.43 -0.16 0.74 114.38 119.52 1wf0 h ARG 23 Ca 0.16 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.24 1wf0 h ARG 23 Cb 0.01 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1wf0 h ARG 23 CO -0.03 0.26 -0.88 1.49 -1.51 0.00 0.00 179.97 179.30 1wf0 h GLU 24 N 0.40 0.00 0.02 0.20 4.22 0.15 -2.85 114.58 116.72 1wf0 h GLU 24 Ca 0.24 0.00 -0.21 0.00 0.08 0.00 0.00 59.36 59.47 1wf0 h GLU 24 Cb 0.43 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1wf0 h GLU 24 CO -0.06 0.19 -0.96 0.35 -2.18 0.00 0.00 179.01 176.35 1wf0 h PHE 25 N 0.00 0.18 -0.02 0.92 3.57 0.11 -3.20 116.94 118.50 1wf0 h PHE 25 Ca -0.05 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.33 1wf0 h PHE 25 Cb 1.26 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.98 1wf0 h PHE 25 CO 0.00 1.00 -0.25 1.19 -2.23 0.00 0.00 178.31 178.02 1wf0 n PHE 26 N -3.53 0.00 0.25 0.41 3.72 0.07 -4.04 117.46 114.34 1wf0 n PHE 26 Ca -0.03 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.52 1wf0 n PHE 26 Cb 0.87 -0.03 0.40 0.00 -0.94 0.00 0.00 39.48 39.78 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 2.60 0.00 0.87 4.37 4.64 -1.49 -2.91 113.55 121.62 1wf0 h SER 27 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 1wf0 h SER 27 Cb 0.71 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.77 1wf0 h SER 27 CO 0.00 0.00 -1.15 0.06 -0.87 0.00 0.00 176.83 174.87 1wf0 h GLN 28 N 0.00 0.04 -0.02 4.77 3.07 -1.71 -3.35 115.11 117.91 1wf0 h GLN 28 Ca 0.00 -0.06 -0.06 0.00 0.09 0.00 0.00 58.65 58.62 1wf0 h GLN 28 Cb 0.78 0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.37 1wf0 h GLN 28 CO 0.00 0.95 -0.23 1.88 0.09 0.00 0.00 178.83 181.51 1wf0 h TYR 29 N 0.01 0.28 -2.03 0.06 -1.99 -1.76 -3.49 116.97 108.04 1wf0 h TYR 29 Ca -0.07 -0.14 0.02 0.00 2.00 0.00 0.00 58.73 60.54 1wf0 h TYR 29 Cb 1.84 -0.04 -0.00 0.00 2.00 0.00 0.00 36.73 40.53 1wf0 h TYR 29 CO 0.01 0.89 0.11 0.41 -0.00 0.00 0.00 178.16 179.58 1wf0 n GLY 30 N 0.87 1.42 3.58 3.88 0.00 -1.11 -5.07 105.19 108.77 1wf0 n GLY 30 Ca -0.09 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.58 5.71 -0.67 1.61 1.01 -1.26 -4.26 116.67 117.23 1wf0 s ASP 31 Ca 0.05 -1.78 -0.26 0.00 0.71 0.00 0.00 52.55 51.27 1wf0 s ASP 31 Cb -0.01 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 1wf0 s ASP 31 CO 0.02 -2.34 1.79 0.54 0.21 0.00 0.00 175.17 175.39 1wf0 s VAL 32 N 8.39 3.42 0.07 -1.27 0.11 -1.26 -1.75 120.40 128.11 1wf0 s VAL 32 Ca 0.62 0.15 -0.14 0.00 -2.93 0.00 0.00 61.98 59.69 1wf0 s VAL 32 Cb 0.00 -4.10 -0.03 0.00 -1.53 0.00 0.00 36.38 30.72 1wf0 s VAL 32 CO 0.08 -1.06 1.24 0.24 -3.33 0.00 0.00 175.10 172.28 1wf0 h MET 33 N 13.84 -0.02 -2.55 1.54 2.86 -1.34 -3.46 114.93 125.81 1wf0 h MET 33 Ca -0.22 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.53 1wf0 h MET 33 Cb 1.13 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.69 1wf0 h MET 33 CO 1.23 -0.01 0.40 0.34 1.06 0.00 0.00 176.91 179.93 1wf0 s ASP 34 N -4.09 -0.30 -0.27 1.22 -1.08 -1.11 -5.02 116.67 106.02 1wf0 s ASP 34 Ca -0.05 -0.28 0.01 0.00 -0.52 0.00 0.00 52.55 51.71 1wf0 s ASP 34 Cb 0.05 0.52 0.07 0.00 -1.46 0.00 0.00 42.92 42.11 1wf0 s ASP 34 CO 0.28 -0.92 -0.00 -0.69 0.52 0.00 0.00 175.17 174.35 1wf0 s VAL 35 N -3.43 1.50 0.17 1.11 1.01 -1.26 -0.70 120.40 118.80 1wf0 s VAL 35 Ca 0.08 -1.42 0.07 0.00 0.00 0.00 0.00 61.98 60.71 1wf0 s VAL 35 Cb -0.02 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1wf0 s VAL 35 CO -0.02 -0.30 0.02 0.12 0.00 0.00 0.00 175.10 174.91 1wf0 s PHE 36 N 1.37 2.88 -0.40 5.22 5.36 -1.08 -4.74 117.98 126.59 1wf0 s PHE 36 Ca 0.00 -0.12 0.04 0.00 -0.96 0.00 0.00 56.93 55.89 1wf0 s PHE 36 Cb -0.19 -1.40 0.11 0.00 -0.34 0.00 0.00 43.02 41.21 1wf0 s PHE 36 CO -0.10 0.52 0.13 0.42 -1.46 0.00 0.00 175.22 174.72 1wf0 s ILE 37 N -1.73 2.25 0.44 3.12 1.01 -1.26 -1.48 121.20 123.54 1wf0 s ILE 37 Ca 0.28 -2.60 -0.24 0.00 0.00 0.00 0.00 60.65 58.09 1wf0 s ILE 37 Cb -0.09 -2.63 -0.08 0.00 0.01 0.00 0.00 42.46 39.67 1wf0 s ILE 37 CO 0.19 -0.68 1.17 -2.16 0.00 0.00 0.00 174.94 173.46 1wf0 s PRO 38 N 0.55 3.86 0.13 2.79 0.04 -1.26 -4.88 135.00 136.22 1wf0 s PRO 38 Ca 0.13 1.81 0.04 0.00 0.04 0.00 0.00 61.00 63.02 1wf0 s PRO 38 Cb -0.21 -2.51 -0.04 0.00 0.04 0.00 0.00 34.50 31.78 1wf0 s PRO 38 CO -0.06 -0.48 0.13 0.15 0.04 0.00 0.00 177.00 176.78 1wf0 s LYS 39 N -2.55 2.95 0.08 4.56 -0.14 -1.26 -2.98 119.74 120.39 1wf0 s LYS 39 Ca 0.61 -0.77 -0.31 0.00 -1.36 0.00 0.00 55.97 54.14 1wf0 s LYS 39 Cb -0.30 -2.71 -0.07 0.00 -1.68 0.00 0.00 37.83 33.07 1wf0 s LYS 39 CO 0.36 0.52 1.39 -1.25 -0.76 0.00 0.00 175.35 175.61 1wf0 s PRO 40 N -2.83 4.31 -0.62 -1.68 0.04 -1.26 -5.08 135.00 127.88 1wf0 s PRO 40 Ca 0.31 2.03 -0.27 0.00 0.04 0.00 0.00 61.00 63.11 1wf0 s PRO 40 Cb -0.11 -3.37 -0.00 0.00 0.04 0.00 0.00 34.50 31.06 1wf0 s PRO 40 CO 0.23 -0.47 1.63 0.12 0.04 0.00 0.00 177.00 178.55 1wf0 s PHE 41 N 1.54 1.94 -0.95 0.56 5.36 -1.16 -4.92 117.98 120.35 1wf0 s PHE 41 Ca 0.64 0.52 -0.05 0.00 -0.96 0.00 0.00 56.93 57.08 1wf0 s PHE 41 Cb -0.35 -4.28 0.24 0.00 -0.34 0.00 0.00 43.02 38.29 1wf0 s PHE 41 CO 0.29 -2.23 0.87 0.50 -1.46 0.00 0.00 175.22 173.20 1wf0 s ARG 42 N 6.35 3.59 -1.78 10.12 3.52 -1.26 -4.76 118.95 134.73 1wf0 s ARG 42 Ca 0.57 -3.14 -0.16 0.00 -0.13 0.00 0.00 55.73 52.87 1wf0 s ARG 42 Cb -0.12 -4.20 0.16 0.00 -1.56 0.00 0.00 34.95 29.24 1wf0 s ARG 42 CO 0.21 -1.25 0.41 0.00 -0.81 0.00 0.00 175.30 173.86 1wf0 n ALA 43 N 2.68 -1.47 -3.60 6.12 0.00 -1.26 -4.84 120.51 118.14 1wf0 n ALA 43 Ca 0.21 -0.28 -0.14 0.00 0.00 0.00 0.00 53.44 53.23 1wf0 n ALA 43 Cb 0.39 -1.98 -0.07 0.00 0.00 0.00 0.00 19.45 17.79 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 -3.61 -0.76 0.31 0.00 -0.12 -1.26 -0.30 117.98 112.24 1wf0 s PHE 44 Ca 0.57 1.80 0.06 0.00 -0.05 0.00 0.00 56.93 59.31 1wf0 s PHE 44 Cb -0.33 0.28 -0.06 0.00 -0.63 0.00 0.00 43.02 42.27 1wf0 s PHE 44 CO 1.02 -0.40 -0.02 0.00 -0.05 0.00 0.00 175.22 175.77 1wf0 s ALA 45 N 0.19 2.49 -0.39 1.99 0.00 -1.13 -4.75 121.76 120.16 1wf0 s ALA 45 Ca -0.01 -2.01 0.04 0.00 0.00 0.00 0.00 51.96 49.98 1wf0 s ALA 45 Cb -0.04 0.31 0.11 0.00 0.00 0.00 0.00 23.12 23.50 1wf0 s ALA 45 CO 0.02 -0.14 0.10 0.12 0.00 0.00 0.00 175.76 175.86 1wf0 s PHE 46 N -3.04 3.60 0.13 0.00 5.36 -0.55 -1.01 117.98 122.47 1wf0 s PHE 46 Ca 0.32 -3.04 -0.15 0.00 -0.96 0.00 0.00 56.93 53.10 1wf0 s PHE 46 Cb 0.06 -2.89 -0.07 0.00 -0.34 0.00 0.00 43.02 39.78 1wf0 s PHE 46 CO 0.14 -0.90 0.56 0.08 -1.46 0.00 0.00 175.22 173.64 1wf0 s VAL 47 N 0.61 4.82 -0.08 3.12 1.01 -1.06 -2.65 120.40 126.17 1wf0 s VAL 47 Ca 0.13 0.93 0.02 0.00 0.00 0.00 0.00 61.98 63.05 1wf0 s VAL 47 Cb -0.21 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 1wf0 s VAL 47 CO -0.06 0.31 -0.14 -0.89 0.00 0.00 0.00 175.10 174.31 1wf0 s THR 48 N -1.39 3.01 -0.02 3.92 2.01 0.13 -2.45 115.64 120.84 1wf0 s THR 48 Ca 0.36 -0.72 0.06 0.00 0.31 0.00 0.00 61.69 61.70 1wf0 s THR 48 Cb -0.16 -2.21 -0.02 0.00 0.01 0.00 0.00 72.50 70.12 1wf0 s THR 48 CO 0.19 0.57 -0.20 -0.36 -0.69 0.00 0.00 174.62 174.13 1wf0 s PHE 49 N -0.30 2.53 -0.47 4.92 0.08 -0.10 -0.95 117.98 123.70 1wf0 s PHE 49 Ca 0.02 -0.29 0.22 0.00 0.12 0.00 0.00 56.93 57.01 1wf0 s PHE 49 Cb -0.13 -1.55 0.98 0.00 -0.57 0.00 0.00 43.02 41.75 1wf0 s PHE 49 CO 0.03 0.11 1.67 0.00 -0.10 0.00 0.00 175.22 176.93 1wf0 n ALA 50 N 2.21 1.53 -3.87 5.36 0.00 -0.72 -4.47 120.51 120.55 1wf0 n ALA 50 Ca -0.17 0.10 -0.26 0.00 0.00 0.00 0.00 53.44 53.11 1wf0 n ALA 50 Cb 0.52 -1.36 -0.17 0.00 0.00 0.00 0.00 19.45 18.44 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 -4.11 2.25 0.49 0.00 1.01 -1.26 -5.00 116.67 110.04 1wf0 s ASP 51 Ca 0.03 -0.36 0.17 0.00 0.71 0.00 0.00 52.55 53.10 1wf0 s ASP 51 Cb 0.09 -0.78 1.20 0.00 1.01 0.00 0.00 42.92 44.44 1wf0 s ASP 51 CO 0.34 -0.15 2.05 -2.24 0.21 0.00 0.00 175.17 175.37 1wf0 h ASP 52 N 8.19 0.15 -0.02 0.27 3.04 -1.90 -0.18 116.42 125.98 1wf0 h ASP 52 Ca -0.26 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.50 1wf0 h ASP 52 Cb 1.12 -0.03 -0.01 0.00 -1.04 0.00 0.00 39.33 39.37 1wf0 h ASP 52 CO 0.38 0.10 -0.06 1.56 -2.04 0.00 0.00 179.24 179.17 1wf0 h GLN 53 N 0.17 0.21 -0.26 4.15 4.20 -1.96 0.18 115.11 121.80 1wf0 h GLN 53 Ca 0.17 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.77 1wf0 h GLN 53 Cb 0.46 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 1wf0 h GLN 53 CO -0.03 0.29 -0.11 0.82 -0.67 0.00 0.00 178.83 179.13 1wf0 h ILE 54 N 0.20 1.30 -0.08 2.54 2.04 -1.44 -1.81 117.51 120.26 1wf0 h ILE 54 Ca 0.05 -1.19 -0.23 0.00 1.00 0.00 0.00 64.86 64.49 1wf0 h ILE 54 Cb 0.25 1.52 0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1wf0 h ILE 54 CO 0.01 0.37 -0.87 0.00 0.00 0.00 0.00 178.15 177.66 1wf0 h ALA 55 N 0.74 0.30 0.31 1.87 0.00 -1.43 -2.85 119.26 118.20 1wf0 h ALA 55 Ca 0.06 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 1wf0 h ALA 55 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1wf0 h ALA 55 CO 0.04 0.71 -0.15 1.96 0.00 0.00 0.00 179.25 181.81 1wf0 h GLN 56 N 0.42 -0.40 0.00 0.00 4.20 -0.67 -1.35 115.11 117.32 1wf0 h GLN 56 Ca -0.08 0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 1wf0 h GLN 56 Cb 1.50 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 29.37 1wf0 h GLN 56 CO 0.17 -0.25 -0.05 1.03 -0.67 0.00 0.00 178.83 179.06 1wf0 h SER 57 N -0.43 0.00 1.72 1.46 0.87 -1.42 -0.21 113.55 115.54 1wf0 h SER 57 Ca -0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1wf0 h SER 57 Cb 0.33 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1wf0 h SER 57 CO 0.07 0.05 0.00 -0.07 -0.53 0.00 0.00 176.83 176.35 1wf0 h LEU 58 N 0.00 0.00 -9.13 2.23 3.38 -1.17 -3.44 115.31 107.18 1wf0 h LEU 58 Ca -0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 1wf0 h LEU 58 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1wf0 h LEU 58 CO 0.01 0.00 1.21 0.00 0.09 0.00 0.00 178.44 179.74 1wf0 n GLY 60 N 4.74 0.93 3.66 0.00 0.00 -0.85 -5.01 105.19 108.66 1wf0 n GLY 60 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.93 3.11 -0.32 1.61 2.02 -0.72 -5.00 118.70 118.47 1wf0 s GLU 61 Ca 0.00 -0.41 -0.14 0.00 0.02 0.00 0.00 54.97 54.44 1wf0 s GLU 61 Cb 0.00 -2.83 -0.02 0.00 0.10 0.00 0.00 34.13 31.38 1wf0 s GLU 61 CO 0.00 0.63 0.32 -0.51 0.02 0.00 0.00 175.26 175.72 1wf0 s ASP 62 N -0.69 6.14 0.18 -0.19 1.01 -1.26 -3.53 116.67 118.34 1wf0 s ASP 62 Ca 0.11 -0.17 0.09 0.00 0.71 0.00 0.00 52.55 53.29 1wf0 s ASP 62 Cb -0.12 -2.18 -0.04 0.00 1.01 0.00 0.00 42.92 41.59 1wf0 s ASP 62 CO 0.02 -0.26 -0.08 -0.76 0.21 0.00 0.00 175.17 174.31 1wf0 s LEU 63 N 1.93 3.03 -0.14 1.23 1.43 -1.19 -4.99 118.68 119.99 1wf0 s LEU 63 Ca 0.10 -0.55 -0.00 0.00 -1.03 0.00 0.00 54.13 52.65 1wf0 s LEU 63 Cb -0.17 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 1wf0 s LEU 63 CO 0.11 0.10 -0.13 -0.63 0.23 0.00 0.00 176.35 176.03 1wf0 s ILE 64 N -1.73 3.06 -0.16 -0.59 -1.09 -1.26 -1.72 121.20 117.70 1wf0 s ILE 64 Ca 0.25 -0.65 0.00 0.00 -2.23 0.00 0.00 60.65 58.02 1wf0 s ILE 64 Cb -0.09 -2.29 0.04 0.00 -1.58 0.00 0.00 42.46 38.54 1wf0 s ILE 64 CO 0.16 0.52 -0.08 -0.63 -1.23 0.00 0.00 174.94 173.67 1wf0 s ILE 65 N 0.45 1.31 0.00 2.92 1.01 0.63 -4.72 121.20 122.81 1wf0 s ILE 65 Ca -0.09 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 59.88 1wf0 s ILE 65 Cb -0.16 -1.39 0.00 0.00 0.01 0.00 0.00 42.46 40.92 1wf0 s ILE 65 CO 0.05 0.23 0.00 0.29 0.00 0.00 0.00 174.94 175.51 1wf0 n LYS 66 N 4.82 -1.54 0.00 2.79 5.02 -1.26 -1.43 118.16 126.55 1wf0 n LYS 66 Ca -0.14 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1wf0 n LYS 66 Cb 0.48 -4.71 0.00 0.00 -0.02 0.00 0.00 35.03 30.78 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 0.22 0.63 3.85 0.72 0.00 -1.26 -5.10 105.19 104.25 1wf0 n GLY 67 Ca 0.00 -0.01 -0.31 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 -1.15 4.37 -0.15 -0.61 -5.25 -0.52 -5.01 121.20 112.90 1wf0 s ILE 68 Ca 0.00 0.77 0.01 0.00 -0.99 0.00 0.00 60.65 60.44 1wf0 s ILE 68 Cb 0.00 -3.64 -0.00 0.00 2.95 0.00 0.00 42.46 41.76 1wf0 s ILE 68 CO 0.00 -1.01 -0.16 -0.55 -1.79 0.00 0.00 174.94 171.43 1wf0 s SER 69 N -4.00 3.63 0.27 4.36 0.15 -1.26 -0.27 113.70 116.59 1wf0 s SER 69 Ca 0.56 -0.47 0.10 0.00 0.70 0.00 0.00 55.95 56.85 1wf0 s SER 69 Cb -0.12 -1.55 -0.04 0.00 -1.71 0.00 0.00 66.02 62.59 1wf0 s SER 69 CO 0.54 0.10 -0.03 0.68 1.20 0.00 0.00 173.24 175.73 1wf0 s VAL 70 N 0.75 3.32 -0.21 4.45 -7.23 -0.70 -4.82 120.40 115.95 1wf0 s VAL 70 Ca -0.07 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.13 1wf0 s VAL 70 Cb -0.15 -2.77 0.03 0.00 0.56 0.00 0.00 36.38 34.04 1wf0 s VAL 70 CO 0.01 -0.38 -0.14 -2.28 -0.31 0.00 0.00 175.10 172.00 1wf0 s HIS 71 N -2.35 2.93 0.01 2.82 2.46 -1.26 -3.18 115.29 116.72 1wf0 s HIS 71 Ca 0.31 -1.68 -0.28 0.00 0.47 0.00 0.00 55.06 53.88 1wf0 s HIS 71 Cb -0.06 -1.96 -0.04 0.00 -0.13 0.00 0.00 32.58 30.39 1wf0 s HIS 71 CO 0.19 -0.78 0.90 0.42 -2.47 0.00 0.00 174.74 173.00 1wf0 s ILE 72 N 1.28 4.84 0.24 0.89 -1.09 -1.23 -3.61 121.20 122.51 1wf0 s ILE 72 Ca 0.02 1.90 -0.05 0.00 -2.23 0.00 0.00 60.65 60.28 1wf0 s ILE 72 Cb -0.15 -4.25 -0.02 0.00 -1.58 0.00 0.00 42.46 36.46 1wf0 s ILE 72 CO -0.09 0.22 0.31 -0.55 -1.23 0.00 0.00 174.94 173.59 1wf0 s SER 73 N 0.72 0.19 -0.24 3.58 0.15 -1.22 -2.01 113.70 114.87 1wf0 s SER 73 Ca 0.47 -1.23 -0.00 0.00 0.70 0.00 0.00 55.95 55.89 1wf0 s SER 73 Cb -0.21 0.50 0.07 0.00 -1.71 0.00 0.00 66.02 64.66 1wf0 s SER 73 CO 0.26 -1.01 -0.01 0.21 1.20 0.00 0.00 173.24 173.89 1wf0 s ASN 74 N -3.12 3.66 0.07 5.45 2.47 -1.26 -1.80 114.94 120.41 1wf0 s ASN 74 Ca 0.32 -1.17 0.02 0.00 0.42 0.00 0.00 52.86 52.44 1wf0 s ASN 74 Cb 0.03 -1.01 -0.03 0.00 -1.45 0.00 0.00 41.25 38.78 1wf0 s ASN 74 CO 0.12 -0.28 -0.07 0.00 -3.72 0.00 0.00 177.10 173.15 1wf0 s ALA 75 N 1.52 0.78 -0.34 1.71 0.00 -1.26 -5.03 121.76 119.13 1wf0 s ALA 75 Ca -0.02 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 50.88 1wf0 s ALA 75 Cb -0.18 0.10 0.13 0.00 0.00 0.00 0.00 23.12 23.17 1wf0 s ALA 75 CO -0.09 -0.12 0.20 -1.21 0.00 0.00 0.00 175.76 174.55 1wf0 s GLU 76 N -2.69 0.48 0.19 0.00 0.41 -1.26 -4.90 118.70 110.92 1wf0 s GLU 76 Ca 0.01 -1.13 -0.30 0.00 -0.41 0.00 0.00 54.97 53.14 1wf0 s GLU 76 Cb -0.02 -1.23 -0.09 0.00 -1.78 0.00 0.00 34.13 31.01 1wf0 s GLU 76 CO -0.02 -1.17 1.31 -1.25 -0.49 0.00 0.00 175.26 173.64 1wf0 s PRO 77 N 1.31 4.38 0.07 0.39 0.04 -1.26 -5.00 135.00 134.94 1wf0 s PRO 77 Ca 0.16 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.95 1wf0 s PRO 77 Cb -0.21 -3.20 -0.05 0.00 0.04 0.00 0.00 34.50 31.08 1wf0 s PRO 77 CO -0.07 -0.27 0.97 0.15 0.04 0.00 0.00 177.00 177.82 1wf0 s LYS 78 N 0.05 4.64 0.00 4.56 1.02 -1.26 -5.00 119.74 123.75 1wf0 s LYS 78 Ca 0.57 1.45 0.00 0.00 0.02 0.00 0.00 55.97 58.01 1wf0 s LYS 78 Cb -0.36 -3.41 0.00 0.00 -0.52 0.00 0.00 37.83 33.54 1wf0 s LYS 78 CO 0.37 0.11 0.71 1.58 -0.92 0.00 0.00 175.35 177.20 1wf0 n HIS 79 N 3.20 0.00 0.15 3.18 -0.00 -1.26 -4.98 115.22 115.51 1wf0 n HIS 79 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 1wf0 n HIS 79 Cb 0.50 -0.42 0.00 0.00 -0.00 0.00 0.00 29.99 30.07 1wf0 n HIS 79 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 1wf0 n ASN 80 N -1.76 -2.23 -3.83 0.26 5.15 -1.26 -5.17 115.26 106.42 1wf0 n ASN 80 Ca 0.00 0.55 -0.09 0.00 -0.60 0.00 0.00 54.58 54.44 1wf0 n ASN 80 Cb 0.00 2.23 -0.04 0.00 -0.53 0.00 0.00 39.78 41.44 1wf0 n ASN 80 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1wf0 s SER 81 N -2.42 -0.21 -0.56 1.20 1.04 -1.26 -5.12 113.70 106.38 1wf0 s SER 81 Ca 0.00 -0.63 -0.22 0.00 0.48 0.00 0.00 55.95 55.57 1wf0 s SER 81 Cb 0.00 0.60 0.05 0.00 0.10 0.00 0.00 66.02 66.77 1wf0 s SER 81 CO 0.00 -1.12 0.86 0.21 0.98 0.00 0.00 173.24 174.17 1wf0 s ASN 82 N -2.92 6.28 -0.28 7.02 2.47 -1.26 -4.97 114.94 121.28 1wf0 s ASN 82 Ca 0.13 -0.63 -0.26 0.00 0.42 0.00 0.00 52.86 52.52 1wf0 s ASN 82 Cb -0.02 -2.39 0.16 0.00 -1.45 0.00 0.00 41.25 37.55 1wf0 s ASN 82 CO 0.02 -1.17 1.24 -0.44 -3.72 0.00 0.00 177.10 173.03 1wf0 s SER 83 N 2.96 -0.23 0.00 -4.21 0.01 -1.26 -5.11 113.70 105.86 1wf0 s SER 83 Ca 0.25 0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.90 1wf0 s SER 83 Cb -0.15 0.39 0.00 0.00 0.21 0.00 0.00 66.02 66.47 1wf0 s SER 83 CO 0.15 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.31 1wf0 n GLY 84 N 1.59 -1.31 3.70 3.44 0.00 -1.26 -5.17 105.19 106.18 1wf0 n GLY 84 Ca -0.10 0.50 -0.29 0.00 0.00 0.00 0.00 46.02 46.13 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 0.86 0.58 1.61 0.04 -1.26 -4.86 135.00 131.96 1wf0 s PRO 85 Ca 0.00 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.71 1wf0 s PRO 85 Cb 0.00 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1wf0 s PRO 85 CO 0.00 -2.48 0.00 0.45 0.04 0.00 0.00 177.00 175.01 1wf0 n SER 86 N -4.03 -7.69 -4.56 6.66 2.88 -1.26 -4.49 113.62 101.13 1wf0 n SER 86 Ca 0.06 1.33 -0.40 0.00 -1.33 0.00 0.00 58.87 58.52 1wf0 n SER 86 Cb 0.56 -4.72 -0.03 0.00 -0.75 0.00 0.00 64.21 59.27 1wf0 n SER 86 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wf0 s SER 87 N -7.14 6.35 0.00 -3.46 0.01 -1.26 -5.27 113.70 102.93 1wf0 s SER 87 Ca 0.00 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 56.08 1wf0 s SER 87 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1wf0 s SER 87 CO 0.00 -1.64 0.00 0.61 0.41 0.00 0.00 173.24 172.62