#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 -4.68 1.61 7.64 -1.26 -5.17 113.62 111.77 1wf0 n SER 2 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 1wf0 n SER 2 Cb 0.00 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.36 1wf0 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wf0 s SER 3 N 0.00 3.07 -0.38 6.43 0.01 -1.26 -5.01 113.70 116.55 1wf0 s SER 3 Ca 0.00 1.63 0.10 0.00 1.31 0.00 0.00 55.95 58.99 1wf0 s SER 3 Cb 0.00 -2.28 0.40 0.00 0.21 0.00 0.00 66.02 64.35 1wf0 s SER 3 CO 0.00 -2.91 1.38 0.61 0.41 0.00 0.00 173.24 172.73 1wf0 n GLY 4 N -0.63 1.48 3.22 3.44 0.00 -1.26 -5.11 105.19 106.33 1wf0 n GLY 4 Ca 0.07 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 1wf0 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wf0 s SER 5 N -1.27 -0.24 -0.74 1.61 0.15 -1.26 -5.05 113.70 106.90 1wf0 s SER 5 Ca 0.20 0.88 -0.01 0.00 0.70 0.00 0.00 55.95 57.72 1wf0 s SER 5 Cb 0.41 1.03 0.39 0.00 -1.71 0.00 0.00 66.02 66.14 1wf0 s SER 5 CO -0.09 -0.22 1.93 -1.20 1.20 0.00 0.00 173.24 174.86 1wf0 n SER 6 N 4.99 7.29 -4.56 5.45 7.64 -1.26 -4.98 113.62 128.19 1wf0 n SER 6 Ca -0.13 -3.81 -0.31 0.00 1.01 0.00 0.00 58.87 55.62 1wf0 n SER 6 Cb 0.51 -0.97 -0.11 0.00 -1.01 0.00 0.00 64.21 62.64 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 -1.60 1.73 0.08 0.23 0.00 -1.26 -2.50 107.32 104.00 1wf0 s GLY 7 Ca 0.56 -1.12 0.04 0.00 0.00 0.00 0.00 44.72 44.20 1wf0 s GLY 7 CO -0.25 -1.02 -0.11 -1.34 0.00 0.00 0.00 173.10 170.37 1wf0 s VAL 8 N -1.05 0.94 -0.46 1.40 -7.23 -0.90 -4.24 120.40 108.87 1wf0 s VAL 8 Ca 0.18 -1.41 -0.11 0.00 -1.81 0.00 0.00 61.98 58.83 1wf0 s VAL 8 Cb -0.11 -1.11 0.09 0.00 0.56 0.00 0.00 36.38 35.81 1wf0 s VAL 8 CO 0.09 -0.39 0.34 -0.36 -0.31 0.00 0.00 175.10 174.46 1wf0 s PHE 9 N -1.78 3.32 -1.18 2.82 0.08 -0.85 -2.28 117.98 118.11 1wf0 s PHE 9 Ca -0.00 -1.42 -0.21 0.00 0.12 0.00 0.00 56.93 55.42 1wf0 s PHE 9 Cb -0.07 -3.21 -0.05 0.00 -0.57 0.00 0.00 43.02 39.13 1wf0 s PHE 9 CO 0.01 -0.88 1.90 0.28 -0.10 0.00 0.00 175.22 176.42 1wf0 n VAL 10 N 5.02 2.57 -1.08 -0.44 0.31 0.01 -4.05 118.33 120.67 1wf0 n VAL 10 Ca -0.11 -2.60 -0.29 0.00 -0.01 0.00 0.00 64.34 61.34 1wf0 n VAL 10 Cb 0.42 -2.27 0.18 0.00 -0.91 0.00 0.00 33.84 31.26 1wf0 n VAL 10 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1wf0 s GLY 11 N 5.44 1.58 -1.11 2.92 0.00 -1.23 -3.25 107.32 111.66 1wf0 s GLY 11 Ca 0.62 -0.22 -0.00 0.00 0.00 0.00 0.00 44.72 45.11 1wf0 s GLY 11 CO 0.10 0.36 0.93 0.54 0.00 0.00 0.00 173.10 175.04 1wf0 n ARG 12 N -4.20 -5.95 -4.26 2.90 1.74 -0.46 -3.60 116.66 102.84 1wf0 n ARG 12 Ca 0.06 0.80 -0.29 0.00 -0.77 0.00 0.00 57.85 57.64 1wf0 n ARG 12 Cb 0.56 -5.65 -0.04 0.00 -1.02 0.00 0.00 32.46 26.31 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 -2.67 1.17 0.16 0.00 -4.23 -1.26 -4.58 115.64 104.23 1wf0 s THR 14 Ca 0.09 -1.54 -0.14 0.00 -1.18 0.00 0.00 61.69 58.92 1wf0 s THR 14 Cb -0.01 -1.32 0.05 0.00 1.34 0.00 0.00 72.50 72.57 1wf0 s THR 14 CO 0.06 -0.36 1.77 1.23 -0.54 0.00 0.00 174.62 176.78 1wf0 h GLY 15 N 3.84 0.76 -0.92 3.99 0.00 -2.00 -3.06 103.07 105.68 1wf0 h GLY 15 Ca -0.40 -0.34 0.14 0.00 0.00 0.00 0.00 47.33 46.72 1wf0 h GLY 15 CO 0.47 0.33 -0.37 1.22 0.00 0.00 0.00 176.54 178.19 1wf0 n ASP 16 N -4.65 -0.63 -4.24 0.19 9.92 -1.26 -4.51 116.55 111.37 1wf0 n ASP 16 Ca 0.02 1.60 -0.36 0.00 -0.53 0.00 0.00 54.79 55.53 1wf0 n ASP 16 Cb 0.08 -0.35 0.06 0.00 -0.64 0.00 0.00 41.12 40.27 1wf0 n ASP 16 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 1wf0 n MET 17 N -5.33 -0.02 -4.28 -1.24 2.81 -1.16 -5.01 117.12 102.89 1wf0 n MET 17 Ca 0.09 0.02 -0.18 0.00 -1.81 0.00 0.00 57.70 55.82 1wf0 n MET 17 Cb 0.36 -1.40 -0.14 0.00 -0.71 0.00 0.00 33.22 31.33 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 -2.09 0.78 0.33 2.03 -4.23 -1.26 -5.02 115.64 106.17 1wf0 s THR 18 Ca 0.52 -0.71 0.16 0.00 -1.18 0.00 0.00 61.69 60.48 1wf0 s THR 18 Cb -0.26 -0.71 0.33 0.00 1.34 0.00 0.00 72.50 73.19 1wf0 s THR 18 CO 0.71 0.01 1.43 -0.62 -0.54 0.00 0.00 174.62 175.61 1wf0 n GLU 19 N 2.26 -0.06 0.28 3.99 1.02 -1.26 0.32 120.64 127.20 1wf0 n GLU 19 Ca -0.17 1.26 -0.17 0.00 -0.02 0.00 0.00 57.16 58.07 1wf0 n GLU 19 Cb 0.56 -2.23 -0.08 0.00 -0.02 0.00 0.00 31.44 29.67 1wf0 n GLU 19 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1wf0 h ASP 20 N 0.00 -0.95 -0.20 1.62 3.32 -1.95 0.80 116.42 119.06 1wf0 h ASP 20 Ca 0.73 0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.88 1wf0 h ASP 20 Cb 1.89 0.30 -0.05 0.00 0.22 0.00 0.00 39.33 41.69 1wf0 h ASP 20 CO -0.72 -0.54 -0.38 -0.33 -1.72 0.00 0.00 179.24 175.55 1wf0 h GLU 21 N -0.83 -0.32 -0.92 3.56 4.39 -0.54 0.19 114.58 120.10 1wf0 h GLU 21 Ca -0.05 0.02 0.16 0.00 0.34 0.00 0.00 59.36 59.83 1wf0 h GLU 21 Cb 0.71 0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 29.35 1wf0 h GLU 21 CO 0.00 -0.21 0.59 -0.07 -1.16 0.00 0.00 179.01 178.16 1wf0 h LEU 22 N -0.33 0.67 -1.61 1.33 3.38 -1.46 0.19 115.31 117.48 1wf0 h LEU 22 Ca 0.04 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1wf0 h LEU 22 Cb 0.44 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1wf0 h LEU 22 CO -0.36 0.32 0.21 -0.09 0.09 0.00 0.00 178.44 178.60 1wf0 h ARG 23 N 0.70 0.46 0.18 1.13 2.43 0.11 0.09 114.38 119.48 1wf0 h ARG 23 Ca 0.48 -0.03 -0.33 0.00 -0.81 0.00 0.00 59.98 59.28 1wf0 h ARG 23 Cb 0.78 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 30.24 1wf0 h ARG 23 CO -0.24 0.33 -1.62 0.93 -1.51 0.00 0.00 179.97 177.87 1wf0 h GLU 24 N 0.47 0.39 -0.69 0.20 5.08 0.85 -3.01 114.58 117.87 1wf0 h GLU 24 Ca 0.13 -0.66 -0.04 0.00 -1.00 0.00 0.00 59.36 57.79 1wf0 h GLU 24 Cb -0.01 0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1wf0 h GLU 24 CO -0.02 1.29 0.28 0.35 -1.00 0.00 0.00 179.01 179.91 1wf0 h PHE 25 N 0.11 1.05 -0.00 4.33 3.04 -0.55 -1.78 116.94 123.13 1wf0 h PHE 25 Ca -0.29 -0.08 0.00 0.00 3.98 0.00 0.00 57.97 61.58 1wf0 h PHE 25 Cb 2.09 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 40.29 1wf0 h PHE 25 CO 0.10 0.81 -0.02 1.19 -2.02 0.00 0.00 178.31 178.37 1wf0 n PHE 26 N -4.38 0.00 0.24 0.41 3.72 -0.02 -3.40 117.46 114.03 1wf0 n PHE 26 Ca 0.05 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.58 1wf0 n PHE 26 Cb 0.17 -0.04 0.21 0.00 -0.94 0.00 0.00 39.48 38.88 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 0.75 0.00 1.30 4.37 4.64 -1.18 -3.09 113.55 120.34 1wf0 h SER 27 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wf0 h SER 27 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1wf0 h SER 27 CO 0.00 0.00 -0.17 0.00 -0.87 0.00 0.00 176.83 175.79 1wf0 n GLN 28 N -3.07 0.26 -0.00 4.77 10.64 -1.22 -3.59 117.38 125.17 1wf0 n GLN 28 Ca 0.04 0.17 -0.13 0.00 -1.83 0.00 0.00 57.00 55.25 1wf0 n GLN 28 Cb 0.51 -1.76 -0.14 0.00 -0.86 0.00 0.00 30.24 27.99 1wf0 n GLN 28 CO 0.00 0.00 0.00 1.88 -1.83 0.00 0.00 177.06 177.11 1wf0 h TYR 29 N 0.00 0.18 0.00 2.61 -1.99 -1.75 -3.50 116.97 112.52 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 0.73 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.46 1wf0 h TYR 29 CO 0.00 1.26 0.00 0.41 -0.00 0.00 0.00 178.16 179.83 1wf0 n GLY 30 N 1.68 1.48 2.62 3.88 0.00 -1.21 -5.04 105.19 108.59 1wf0 n GLY 30 Ca -0.20 0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 1.47 -4.56 1.61 8.00 -1.26 -4.70 116.55 117.12 1wf0 n ASP 31 Ca 0.00 -2.86 -0.38 0.00 0.71 0.00 0.00 54.79 52.27 1wf0 n ASP 31 Cb 0.00 -0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 40.41 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 -0.90 3.13 0.15 2.53 0.11 -1.26 -1.56 120.40 122.60 1wf0 s VAL 32 Ca 0.30 0.08 -0.29 0.00 -2.93 0.00 0.00 61.98 59.14 1wf0 s VAL 32 Cb 0.02 -3.31 -0.04 0.00 -1.53 0.00 0.00 36.38 31.52 1wf0 s VAL 32 CO -0.17 -0.29 1.55 0.24 -3.33 0.00 0.00 175.10 173.11 1wf0 h MET 33 N 17.62 -0.23 -2.87 1.54 2.86 -1.64 -3.46 114.93 128.74 1wf0 h MET 33 Ca -0.26 0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.43 1wf0 h MET 33 Cb 1.23 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.92 1wf0 h MET 33 CO 1.15 -0.15 0.34 0.34 1.06 0.00 0.00 176.91 179.65 1wf0 s ASP 34 N -5.20 -0.05 -0.01 1.22 -1.08 -1.21 -5.03 116.67 105.31 1wf0 s ASP 34 Ca -0.14 -0.92 -0.00 0.00 -0.52 0.00 0.00 52.55 50.97 1wf0 s ASP 34 Cb 0.11 0.74 0.01 0.00 -1.46 0.00 0.00 42.92 42.32 1wf0 s ASP 34 CO 0.64 -1.45 0.01 -0.69 0.52 0.00 0.00 175.17 174.19 1wf0 s VAL 35 N -2.63 -0.02 0.10 1.11 1.01 -1.26 -1.85 120.40 116.85 1wf0 s VAL 35 Ca 0.16 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.23 1wf0 s VAL 35 Cb -0.05 -0.03 -0.04 0.00 0.00 0.00 0.00 36.38 36.26 1wf0 s VAL 35 CO 0.09 0.03 -0.08 0.12 0.00 0.00 0.00 175.10 175.25 1wf0 s PHE 36 N 0.32 0.97 -0.39 5.22 5.36 -0.83 -4.97 117.98 123.67 1wf0 s PHE 36 Ca -0.03 -0.74 0.03 0.00 -0.96 0.00 0.00 56.93 55.23 1wf0 s PHE 36 Cb -0.04 -0.54 0.11 0.00 -0.34 0.00 0.00 43.02 42.21 1wf0 s PHE 36 CO -0.01 -0.06 0.13 0.42 -1.46 0.00 0.00 175.22 174.25 1wf0 s ILE 37 N -2.85 1.91 0.25 3.12 1.01 -1.26 -1.62 121.20 121.76 1wf0 s ILE 37 Ca 0.07 -2.38 -0.30 0.00 0.00 0.00 0.00 60.65 58.04 1wf0 s ILE 37 Cb -0.00 -2.39 -0.09 0.00 0.01 0.00 0.00 42.46 39.99 1wf0 s ILE 37 CO -0.02 -0.70 1.27 -2.16 0.00 0.00 0.00 174.94 173.33 1wf0 s PRO 38 N 0.72 4.42 0.12 2.79 0.04 -1.26 -4.93 135.00 136.90 1wf0 s PRO 38 Ca 0.13 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.26 1wf0 s PRO 38 Cb -0.21 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 1wf0 s PRO 38 CO -0.09 -0.16 0.14 0.15 0.04 0.00 0.00 177.00 177.08 1wf0 s LYS 39 N -0.77 3.00 0.30 4.56 -0.14 -1.26 -3.42 119.74 122.01 1wf0 s LYS 39 Ca 0.53 -0.74 -0.29 0.00 -1.36 0.00 0.00 55.97 54.11 1wf0 s LYS 39 Cb -0.36 -2.74 -0.10 0.00 -1.68 0.00 0.00 37.83 32.94 1wf0 s LYS 39 CO 0.42 0.53 1.24 -1.25 -0.76 0.00 0.00 175.35 175.53 1wf0 s PRO 40 N -2.82 4.45 -0.09 -1.68 0.04 -1.26 -5.11 135.00 128.54 1wf0 s PRO 40 Ca 0.31 2.06 -0.30 0.00 0.04 0.00 0.00 61.00 63.11 1wf0 s PRO 40 Cb -0.11 -3.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.28 1wf0 s PRO 40 CO 0.24 -0.06 1.25 0.12 0.04 0.00 0.00 177.00 178.58 1wf0 s PHE 41 N -1.00 3.02 -0.61 0.56 5.36 -1.22 -4.98 117.98 119.11 1wf0 s PHE 41 Ca 0.48 1.09 0.04 0.00 -0.96 0.00 0.00 56.93 57.59 1wf0 s PHE 41 Cb -0.37 -3.48 0.16 0.00 -0.34 0.00 0.00 43.02 38.99 1wf0 s PHE 41 CO 0.47 -1.59 0.41 1.03 -1.46 0.00 0.00 175.22 174.08 1wf0 s ARG 42 N 2.72 2.05 -1.39 10.12 0.52 -1.26 -4.86 118.95 126.85 1wf0 s ARG 42 Ca 0.56 -2.93 -0.18 0.00 -0.52 0.00 0.00 55.73 52.67 1wf0 s ARG 42 Cb -0.24 -3.01 0.18 0.00 0.52 0.00 0.00 34.95 32.39 1wf0 s ARG 42 CO 0.20 -1.26 0.44 0.00 0.02 0.00 0.00 175.30 174.70 1wf0 n ALA 43 N 2.43 -1.00 -3.29 2.13 0.00 -1.26 -4.84 120.51 114.67 1wf0 n ALA 43 Ca 0.18 -0.15 -0.14 0.00 0.00 0.00 0.00 53.44 53.32 1wf0 n ALA 43 Cb 0.36 -1.91 -0.06 0.00 0.00 0.00 0.00 19.45 17.84 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 -2.75 -0.39 0.04 0.00 -0.12 -1.26 -1.33 117.98 112.17 1wf0 s PHE 44 Ca 0.62 0.48 -0.05 0.00 -0.05 0.00 0.00 56.93 57.93 1wf0 s PHE 44 Cb -0.36 0.29 -0.01 0.00 -0.63 0.00 0.00 43.02 42.31 1wf0 s PHE 44 CO 0.76 -0.59 0.08 0.00 -0.05 0.00 0.00 175.22 175.42 1wf0 s ALA 45 N -2.13 -0.03 -0.06 1.99 0.00 -1.20 -4.84 121.76 115.49 1wf0 s ALA 45 Ca -0.07 -0.57 -0.10 0.00 0.00 0.00 0.00 51.96 51.22 1wf0 s ALA 45 Cb -0.01 0.24 -0.05 0.00 0.00 0.00 0.00 23.12 23.30 1wf0 s ALA 45 CO 0.01 -0.30 0.26 0.12 0.00 0.00 0.00 175.76 175.84 1wf0 s PHE 46 N -2.54 3.65 -0.02 0.00 5.36 -0.64 -0.81 117.98 122.98 1wf0 s PHE 46 Ca -0.06 0.71 0.00 0.00 -0.96 0.00 0.00 56.93 56.63 1wf0 s PHE 46 Cb -0.02 -2.08 0.03 0.00 -0.34 0.00 0.00 43.02 40.61 1wf0 s PHE 46 CO -0.04 0.69 0.01 0.08 -1.46 0.00 0.00 175.22 174.49 1wf0 s VAL 47 N -1.08 0.12 -0.08 3.12 1.01 -0.96 -1.96 120.40 120.56 1wf0 s VAL 47 Ca 0.20 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.26 1wf0 s VAL 47 Cb -0.14 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 1wf0 s VAL 47 CO 0.09 0.12 0.00 -0.89 0.00 0.00 0.00 175.10 174.43 1wf0 s THR 48 N 0.93 4.32 -0.01 3.92 2.01 -0.77 -2.12 115.64 123.92 1wf0 s THR 48 Ca -0.09 -0.26 0.06 0.00 0.31 0.00 0.00 61.69 61.72 1wf0 s THR 48 Cb -0.12 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.54 1wf0 s THR 48 CO -0.02 0.59 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.95 1wf0 s PHE 49 N -0.90 2.51 -0.74 4.92 0.08 -1.04 -1.82 117.98 120.99 1wf0 s PHE 49 Ca 0.14 -0.29 0.16 0.00 0.12 0.00 0.00 56.93 57.05 1wf0 s PHE 49 Cb -0.11 -1.52 0.71 0.00 -0.57 0.00 0.00 43.02 41.52 1wf0 s PHE 49 CO 0.03 0.13 1.50 0.00 -0.10 0.00 0.00 175.22 176.78 1wf0 n ALA 50 N 2.11 1.51 -3.74 5.36 0.00 -0.60 -4.39 120.51 120.76 1wf0 n ALA 50 Ca -0.17 0.03 -0.27 0.00 0.00 0.00 0.00 53.44 53.04 1wf0 n ALA 50 Cb 0.52 -1.26 -0.17 0.00 0.00 0.00 0.00 19.45 18.54 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 -3.52 2.62 0.54 0.00 1.11 -1.26 -4.99 116.67 111.17 1wf0 s ASP 51 Ca 0.04 -0.67 0.29 0.00 0.18 0.00 0.00 52.55 52.39 1wf0 s ASP 51 Cb 0.08 -0.55 1.55 0.00 1.07 0.00 0.00 42.92 45.07 1wf0 s ASP 51 CO 0.26 -0.28 1.85 -2.24 1.18 0.00 0.00 175.17 175.94 1wf0 h ASP 52 N 8.27 0.00 1.25 0.27 2.03 -1.93 0.31 116.42 126.62 1wf0 h ASP 52 Ca -0.17 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.05 1wf0 h ASP 52 Cb 1.12 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.61 1wf0 h ASP 52 CO 0.32 0.00 -0.38 1.56 -1.03 0.00 0.00 179.24 179.71 1wf0 h GLN 53 N 0.00 0.00 0.00 4.15 1.08 -1.95 -2.59 115.11 115.81 1wf0 h GLN 53 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1wf0 h GLN 53 Cb 0.38 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1wf0 h GLN 53 CO 0.00 0.38 -0.00 0.82 -0.95 0.00 0.00 178.83 179.07 1wf0 h ILE 54 N 0.00 1.64 -0.61 2.54 1.08 -0.78 -2.95 117.51 118.43 1wf0 h ILE 54 Ca -0.00 -2.10 -0.03 0.00 -0.39 0.00 0.00 64.86 62.34 1wf0 h ILE 54 Cb 1.10 3.03 -0.03 0.00 -3.07 0.00 0.00 36.82 37.86 1wf0 h ILE 54 CO 0.05 0.53 0.26 0.00 -0.69 0.00 0.00 178.15 178.30 1wf0 h ALA 55 N 0.02 1.32 0.42 1.87 0.00 -1.62 -2.20 119.26 119.07 1wf0 h ALA 55 Ca -0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1wf0 h ALA 55 Cb 0.87 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1wf0 h ALA 55 CO 0.00 0.51 -0.20 1.96 0.00 0.00 0.00 179.25 181.52 1wf0 h GLN 56 N 0.87 -0.55 -1.09 0.00 1.08 -1.57 -2.34 115.11 111.51 1wf0 h GLN 56 Ca 0.21 0.04 0.30 0.00 -1.45 0.00 0.00 58.65 57.75 1wf0 h GLN 56 Cb 0.13 0.12 -0.07 0.00 -0.05 0.00 0.00 27.48 27.62 1wf0 h GLN 56 CO -0.02 -0.37 0.75 0.77 -0.95 0.00 0.00 178.83 179.01 1wf0 h SER 57 N -0.64 0.20 0.09 1.46 0.02 -1.52 0.69 113.55 113.83 1wf0 h SER 57 Ca -0.06 0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 60.84 1wf0 h SER 57 Cb 0.44 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1wf0 h SER 57 CO 0.10 0.04 -0.28 -0.07 -1.14 0.00 0.00 176.83 175.47 1wf0 h LEU 58 N 0.17 0.31 -9.73 5.07 3.38 -1.24 -3.44 115.31 109.84 1wf0 h LEU 58 Ca 0.56 -0.10 -0.56 0.00 0.09 0.00 0.00 57.88 57.87 1wf0 h LEU 58 Cb 1.86 -0.08 0.10 0.00 0.09 0.00 0.00 40.66 42.63 1wf0 h LEU 58 CO -0.14 0.59 0.65 0.00 0.09 0.00 0.00 178.44 179.63 1wf0 n GLY 60 N 1.47 1.03 3.75 0.00 0.00 -0.64 -5.02 105.19 105.78 1wf0 n GLY 60 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.29 3.53 -0.41 1.61 0.41 -0.55 -4.99 118.70 118.01 1wf0 s GLU 61 Ca 0.00 -0.27 -0.16 0.00 -0.41 0.00 0.00 54.97 54.13 1wf0 s GLU 61 Cb 0.00 -3.11 0.02 0.00 -1.78 0.00 0.00 34.13 29.26 1wf0 s GLU 61 CO 0.00 0.58 0.34 -0.51 -0.49 0.00 0.00 175.26 175.18 1wf0 s ASP 62 N -0.49 6.14 0.16 -0.19 1.01 -1.26 -3.39 116.67 118.64 1wf0 s ASP 62 Ca 0.11 -0.82 0.06 0.00 0.71 0.00 0.00 52.55 52.60 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 -0.49 0.09 -0.76 0.21 0.00 0.00 175.17 174.24 1wf0 s LEU 63 N 1.82 3.66 -0.16 1.23 1.43 -0.98 -4.96 118.68 120.72 1wf0 s LEU 63 Ca 0.07 -0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 52.95 1wf0 s LEU 63 Cb -0.18 -2.29 -0.02 0.00 0.03 0.00 0.00 46.19 43.73 1wf0 s LEU 63 CO 0.11 0.08 -0.07 -0.63 0.23 0.00 0.00 176.35 176.07 1wf0 s ILE 64 N -1.71 3.52 -0.24 -0.59 -1.09 -1.26 -1.37 121.20 118.46 1wf0 s ILE 64 Ca 0.30 -0.48 0.01 0.00 -2.23 0.00 0.00 60.65 58.25 1wf0 s ILE 64 Cb -0.10 -2.53 0.06 0.00 -1.58 0.00 0.00 42.46 38.31 1wf0 s ILE 64 CO 0.22 0.49 -0.07 -0.63 -1.23 0.00 0.00 174.94 173.72 1wf0 s ILE 65 N 0.52 1.68 -1.40 2.92 1.01 -0.19 -4.71 121.20 121.02 1wf0 s ILE 65 Ca -0.05 -1.32 0.00 0.00 0.00 0.00 0.00 60.65 59.28 1wf0 s ILE 65 Cb -0.15 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.41 1wf0 s ILE 65 CO 0.03 -0.08 0.00 0.29 0.00 0.00 0.00 174.94 175.18 1wf0 n LYS 66 N 4.61 -1.21 0.00 2.79 5.02 -1.26 -1.85 118.16 126.27 1wf0 n LYS 66 Ca -0.12 0.82 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 1wf0 n LYS 66 Cb 0.44 -5.14 0.00 0.00 -0.02 0.00 0.00 35.03 30.31 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 -1.03 3.06 3.90 0.72 0.00 -1.26 -5.05 105.19 105.54 1wf0 n GLY 67 Ca -0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.47 3.41 -0.10 -0.61 -5.25 -0.77 -5.05 121.20 110.35 1wf0 s ILE 68 Ca 0.00 0.22 0.00 0.00 -0.99 0.00 0.00 60.65 59.88 1wf0 s ILE 68 Cb 0.00 -3.41 -0.02 0.00 2.95 0.00 0.00 42.46 41.97 1wf0 s ILE 68 CO 0.00 -0.49 -0.10 -0.55 -1.79 0.00 0.00 174.94 172.01 1wf0 s SER 69 N -4.36 4.34 0.01 4.36 0.15 -1.26 -1.03 113.70 115.91 1wf0 s SER 69 Ca 0.57 -0.18 0.03 0.00 0.70 0.00 0.00 55.95 57.06 1wf0 s SER 69 Cb -0.11 -1.38 -0.01 0.00 -1.71 0.00 0.00 66.02 62.81 1wf0 s SER 69 CO 0.48 0.25 -0.09 0.68 1.20 0.00 0.00 173.24 175.77 1wf0 s VAL 70 N -0.16 0.68 -0.17 4.45 -7.23 -0.47 -4.67 120.40 112.83 1wf0 s VAL 70 Ca 0.01 -0.61 -0.02 0.00 -1.81 0.00 0.00 61.98 59.55 1wf0 s VAL 70 Cb -0.13 -0.62 -0.01 0.00 0.56 0.00 0.00 36.38 36.17 1wf0 s VAL 70 CO 0.03 0.02 -0.09 -2.28 -0.31 0.00 0.00 175.10 172.47 1wf0 s HIS 71 N -0.56 2.89 -0.27 2.82 2.46 -1.24 -2.31 115.29 119.08 1wf0 s HIS 71 Ca -0.00 -0.74 -0.22 0.00 0.47 0.00 0.00 55.06 54.57 1wf0 s HIS 71 Cb -0.05 -1.96 -0.01 0.00 -0.13 0.00 0.00 32.58 30.43 1wf0 s HIS 71 CO 0.00 -0.33 0.71 0.42 -2.47 0.00 0.00 174.74 173.07 1wf0 s ILE 72 N 0.79 4.90 -0.11 0.89 -1.09 -1.22 -3.51 121.20 121.84 1wf0 s ILE 72 Ca -0.03 1.20 -0.04 0.00 -2.23 0.00 0.00 60.65 59.55 1wf0 s ILE 72 Cb -0.15 -4.04 0.06 0.00 -1.58 0.00 0.00 42.46 36.75 1wf0 s ILE 72 CO 0.01 -0.09 0.21 -0.44 -1.23 0.00 0.00 174.94 173.41 1wf0 s SER 73 N 1.50 0.60 -0.42 3.58 0.01 -1.26 -1.62 113.70 116.09 1wf0 s SER 73 Ca 0.29 0.43 -0.27 0.00 1.31 0.00 0.00 55.95 57.71 1wf0 s SER 73 Cb -0.15 0.49 0.02 0.00 0.21 0.00 0.00 66.02 66.59 1wf0 s SER 73 CO 0.10 -0.25 1.03 0.21 0.41 0.00 0.00 173.24 174.74 1wf0 s ASN 74 N 2.36 6.66 0.07 2.44 3.04 -1.26 -2.01 114.94 126.24 1wf0 s ASN 74 Ca 0.02 0.52 0.03 0.00 0.04 0.00 0.00 52.86 53.47 1wf0 s ASN 74 Cb -0.12 -2.51 -0.03 0.00 -1.54 0.00 0.00 41.25 37.05 1wf0 s ASN 74 CO -0.07 -1.05 -0.08 0.00 -3.04 0.00 0.00 177.10 172.85 1wf0 s ALA 75 N 3.93 0.87 -0.34 1.71 0.00 -1.26 -5.01 121.76 121.65 1wf0 s ALA 75 Ca 0.43 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 51.32 1wf0 s ALA 75 Cb -0.10 0.07 0.13 0.00 0.00 0.00 0.00 23.12 23.22 1wf0 s ALA 75 CO 0.25 -0.08 0.20 -1.21 0.00 0.00 0.00 175.76 174.91 1wf0 s GLU 76 N -2.59 0.52 0.26 0.00 0.41 -1.26 -4.88 118.70 111.16 1wf0 s GLU 76 Ca 0.01 -1.22 -0.30 0.00 -0.41 0.00 0.00 54.97 53.06 1wf0 s GLU 76 Cb -0.04 -1.34 -0.09 0.00 -1.78 0.00 0.00 34.13 30.88 1wf0 s GLU 76 CO -0.01 -1.17 1.27 -1.25 -0.49 0.00 0.00 175.26 173.61 1wf0 s PRO 77 N 1.23 4.42 0.60 0.39 0.04 -1.26 -4.98 135.00 135.44 1wf0 s PRO 77 Ca 0.16 2.06 -0.19 0.00 0.04 0.00 0.00 61.00 63.07 1wf0 s PRO 77 Cb -0.22 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 1wf0 s PRO 77 CO -0.06 -0.15 1.10 1.17 0.04 0.00 0.00 177.00 179.10 1wf0 n LYS 78 N 1.79 1.07 -5.02 4.56 4.81 -1.26 -5.01 118.16 119.10 1wf0 n LYS 78 Ca 0.03 0.41 -0.29 0.00 -0.87 0.00 0.00 58.31 57.59 1wf0 n LYS 78 Cb 0.43 -2.30 -0.17 0.00 0.02 0.00 0.00 35.03 33.01 1wf0 n LYS 78 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1wf0 s HIS 79 N -1.44 2.17 -0.30 5.64 5.65 -1.26 -5.10 115.29 120.65 1wf0 s HIS 79 Ca 0.76 -0.81 -0.08 0.00 0.25 0.00 0.00 55.06 55.18 1wf0 s HIS 79 Cb -0.41 -1.47 0.18 0.00 -1.18 0.00 0.00 32.58 29.69 1wf0 s HIS 79 CO 0.46 -0.33 0.81 1.21 -0.65 0.00 0.00 174.74 176.24 1wf0 s ASN 80 N 0.32 -0.95 0.02 9.88 2.47 -1.26 -5.17 114.94 120.25 1wf0 s ASN 80 Ca -0.14 0.72 0.01 0.00 0.42 0.00 0.00 52.86 53.87 1wf0 s ASN 80 Cb -0.16 1.85 -0.01 0.00 -1.45 0.00 0.00 41.25 41.47 1wf0 s ASN 80 CO 0.06 -0.18 -0.04 -0.94 -3.72 0.00 0.00 177.10 172.29 1wf0 s SER 81 N 2.85 0.37 -0.21 -4.21 1.04 -1.26 -5.13 113.70 107.15 1wf0 s SER 81 Ca 0.08 -0.36 -0.21 0.00 0.48 0.00 0.00 55.95 55.94 1wf0 s SER 81 Cb -0.12 0.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.02 1wf0 s SER 81 CO -0.17 -0.18 0.64 0.21 0.98 0.00 0.00 173.24 174.73 1wf0 s ASN 82 N -1.04 6.68 -0.01 7.02 3.84 -1.26 -5.06 114.94 125.12 1wf0 s ASN 82 Ca -0.09 0.83 0.06 0.00 0.21 0.00 0.00 52.86 53.86 1wf0 s ASN 82 Cb -0.07 -2.35 -0.02 0.00 -0.55 0.00 0.00 41.25 38.26 1wf0 s ASN 82 CO -0.00 -0.30 -0.18 -0.94 -2.79 0.00 0.00 177.10 172.89 1wf0 s SER 83 N 1.25 2.12 0.43 -4.21 1.04 -1.26 -5.13 113.70 107.94 1wf0 s SER 83 Ca 0.29 -0.35 -0.22 0.00 0.48 0.00 0.00 55.95 56.15 1wf0 s SER 83 Cb -0.16 -0.23 -0.09 0.00 0.10 0.00 0.00 66.02 65.64 1wf0 s SER 83 CO 0.10 0.21 1.01 -0.83 0.98 0.00 0.00 173.24 174.71 1wf0 s GLY 84 N -0.53 2.56 -0.33 7.32 0.00 -1.26 -4.97 107.32 110.11 1wf0 s GLY 84 Ca 0.07 0.57 -0.29 0.00 0.00 0.00 0.00 44.72 45.07 1wf0 s GLY 84 CO -0.00 0.92 1.69 2.56 0.00 0.00 0.00 173.10 178.26 1wf0 s PRO 85 N -2.92 3.46 -0.12 2.90 0.04 -1.26 -4.70 135.00 132.40 1wf0 s PRO 85 Ca 0.62 1.36 0.03 0.00 0.04 0.00 0.00 61.00 63.05 1wf0 s PRO 85 Cb -0.16 -4.13 0.10 0.00 0.04 0.00 0.00 34.50 30.35 1wf0 s PRO 85 CO 0.20 -1.70 0.82 -1.13 0.04 0.00 0.00 177.00 175.23 1wf0 n SER 86 N 9.67 -0.50 -4.68 6.66 3.41 -1.26 -5.13 113.62 121.79 1wf0 n SER 86 Ca 0.21 -1.38 -0.42 0.00 -0.26 0.00 0.00 58.87 57.02 1wf0 n SER 86 Cb 0.47 0.30 -0.03 0.00 -0.26 0.00 0.00 64.21 64.69 1wf0 n SER 86 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wf0 s SER 87 N -0.29 6.54 0.00 4.04 0.15 -1.26 -5.31 113.70 117.56 1wf0 s SER 87 Ca 0.03 2.56 0.00 0.00 0.70 0.00 0.00 55.95 59.24 1wf0 s SER 87 Cb 0.11 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 1wf0 s SER 87 CO -0.03 -0.95 0.26 0.61 1.20 0.00 0.00 173.24 174.32