#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfs n SER 2 N 0.00 -6.76 -2.82 1.61 2.88 -1.26 -5.00 113.62 102.28 1wfs n SER 2 Ca 0.00 0.78 -0.03 0.00 -1.33 0.00 0.00 58.87 58.29 1wfs n SER 2 Cb 0.00 -3.62 -0.03 0.00 -0.75 0.00 0.00 64.21 59.81 1wfs n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wfs n SER 3 N -3.88 -3.83 0.00 -3.46 7.64 -1.26 -4.73 113.62 104.10 1wfs n SER 3 Ca -0.03 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.02 1wfs n SER 3 Cb 0.52 -3.71 0.00 0.00 -1.01 0.00 0.00 64.21 60.01 1wfs n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfs n GLY 4 N 1.95 2.33 3.75 0.23 0.00 -1.26 -5.11 105.19 107.08 1wfs n GLY 4 Ca -0.22 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 1wfs n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfs s SER 5 N 0.00 5.30 0.15 1.61 0.01 -1.26 -5.04 113.70 114.47 1wfs s SER 5 Ca 0.00 2.48 0.03 0.00 1.31 0.00 0.00 55.95 59.77 1wfs s SER 5 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 1wfs s SER 5 CO 0.00 -1.52 -0.06 -0.44 0.41 0.00 0.00 173.24 171.63 1wfs s SER 6 N -1.40 1.47 0.00 2.44 0.01 -1.26 -5.07 113.70 109.90 1wfs s SER 6 Ca 0.75 -1.07 0.00 0.00 1.31 0.00 0.00 55.95 56.94 1wfs s SER 6 Cb -0.33 0.05 0.00 0.00 0.21 0.00 0.00 66.02 65.95 1wfs s SER 6 CO 0.37 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 174.19 1wfs n GLY 7 N -0.18 0.00 4.36 3.44 0.00 -1.26 -5.03 105.19 106.52 1wfs n GLY 7 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 1wfs n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfs n SER 8 N -2.00 -1.22 0.00 1.61 7.64 -1.26 -4.88 113.62 113.51 1wfs n SER 8 Ca 0.00 -1.19 0.00 0.00 1.01 0.00 0.00 58.87 58.69 1wfs n SER 8 Cb 0.12 -1.97 0.00 0.00 -1.01 0.00 0.00 64.21 61.35 1wfs n SER 8 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1wfs n ASP 9 N -2.67 0.00 -3.90 6.43 2.03 -1.26 -5.17 116.55 112.01 1wfs n ASP 9 Ca -0.05 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.15 1wfs n ASP 9 Cb 0.55 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.82 1wfs n ASP 9 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1wfs s SER 10 N 1.00 0.06 0.40 1.67 0.01 -1.26 -5.17 113.70 110.41 1wfs s SER 10 Ca 0.00 -0.14 0.05 0.00 1.31 0.00 0.00 55.95 57.17 1wfs s SER 10 Cb 0.00 0.07 -0.02 0.00 0.21 0.00 0.00 66.02 66.28 1wfs s SER 10 CO 0.00 -0.12 0.18 -0.76 0.41 0.00 0.00 173.24 172.95 1wfs s LEU 11 N -0.52 1.92 -0.41 2.44 1.43 -1.26 -5.04 118.68 117.24 1wfs s LEU 11 Ca -0.06 -1.73 -0.01 0.00 -1.03 0.00 0.00 54.13 51.30 1wfs s LEU 11 Cb -0.04 0.12 0.32 0.00 0.03 0.00 0.00 46.19 46.62 1wfs s LEU 11 CO -0.00 -1.00 1.94 0.52 0.23 0.00 0.00 176.35 178.04 1wfs n VAL 12 N -0.85 2.94 -0.92 -1.59 0.31 -1.26 -5.00 118.33 111.95 1wfs n VAL 12 Ca -0.02 -1.91 -0.30 0.00 -0.01 0.00 0.00 64.34 62.09 1wfs n VAL 12 Cb 0.64 -1.16 -0.01 0.00 -0.91 0.00 0.00 33.84 32.40 1wfs n VAL 12 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1wfs n VAL 13 N -0.16 0.66 -4.40 2.52 3.14 -1.26 -4.77 118.33 114.05 1wfs n VAL 13 Ca 0.40 -0.35 -0.20 0.00 -2.96 0.00 0.00 64.34 61.23 1wfs n VAL 13 Cb 0.73 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.45 1wfs n VAL 13 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wfs s GLU 15 N -3.23 2.68 -0.76 0.00 -1.05 -1.15 -4.88 118.70 110.31 1wfs s GLU 15 Ca 0.16 -1.18 -0.22 0.00 -0.15 0.00 0.00 54.97 53.58 1wfs s GLU 15 Cb 0.01 -2.42 0.08 0.00 -0.44 0.00 0.00 34.13 31.36 1wfs s GLU 15 CO 0.11 0.39 1.08 0.54 0.95 0.00 0.00 175.26 178.33 1wfs s VAL 16 N -2.18 4.33 0.15 1.83 0.11 -1.26 -0.32 120.40 123.06 1wfs s VAL 16 Ca 0.32 -0.62 -0.21 0.00 -2.93 0.00 0.00 61.98 58.53 1wfs s VAL 16 Cb -0.07 -4.76 -0.13 0.00 -1.53 0.00 0.00 36.38 29.88 1wfs s VAL 16 CO 0.23 -1.55 0.40 -0.67 -3.33 0.00 0.00 175.10 170.18 1wfs n ASP 17 N 7.68 -0.95 0.12 3.54 2.03 -0.99 -4.63 116.55 123.36 1wfs n ASP 17 Ca 0.07 0.86 -0.01 0.00 0.52 0.00 0.00 54.79 56.23 1wfs n ASP 17 Cb 0.47 -0.73 0.23 0.00 -0.72 0.00 0.00 41.12 40.38 1wfs n ASP 17 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1wfs h PRO 18 N 0.78 0.13 0.00 -0.67 0.13 -1.94 -0.17 132.00 130.26 1wfs h PRO 18 Ca -0.22 -0.07 -0.09 0.00 -0.87 0.00 0.00 66.00 64.76 1wfs h PRO 18 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1wfs h PRO 18 CO 0.44 0.58 -0.43 1.05 -0.23 0.00 0.00 178.00 179.41 1wfs h GLU 19 N 0.11 0.00 0.11 0.86 -0.00 -1.94 -3.24 114.58 110.46 1wfs h GLU 19 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 59.36 59.02 1wfs h GLU 19 Cb 0.87 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.60 1wfs h GLU 19 CO 0.07 0.43 -1.91 1.25 -0.00 0.00 0.00 179.01 178.84 1wfs h LEU 20 N 0.00 0.35 -0.91 3.06 6.46 -1.82 -3.35 115.31 119.10 1wfs h LEU 20 Ca -0.00 -0.75 0.25 0.00 -0.12 0.00 0.00 57.88 57.25 1wfs h LEU 20 Cb 1.01 -0.11 -0.14 0.00 -0.73 0.00 0.00 40.66 40.68 1wfs h LEU 20 CO 0.06 1.67 0.30 0.50 -0.62 0.00 0.00 178.44 180.35 1wfs h LYS 21 N 0.06 0.23 -0.38 1.25 3.64 -1.05 0.26 116.57 120.57 1wfs h LYS 21 Ca -0.38 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 58.92 1wfs h LYS 21 Cb 2.04 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.79 1wfs h LYS 21 CO 0.10 0.15 0.01 0.93 -2.27 0.00 0.00 179.45 178.37 1wfs h GLU 22 N 0.23 0.66 -0.53 1.90 5.08 -1.72 -2.91 114.58 117.29 1wfs h GLU 22 Ca 0.59 -0.20 0.10 0.00 -1.00 0.00 0.00 59.36 58.85 1wfs h GLU 22 Cb 1.23 -0.06 -0.11 0.00 0.50 0.00 0.00 28.75 30.31 1wfs h GLU 22 CO -0.65 0.75 -0.25 1.15 -1.00 0.00 0.00 179.01 179.02 1wfs h THR 23 N 0.49 0.29 -0.04 1.13 2.02 -0.63 0.13 112.91 116.30 1wfs h THR 23 Ca 0.11 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.30 1wfs h THR 23 Cb 0.45 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1wfs h THR 23 CO 0.02 0.00 -0.04 -0.07 0.37 0.00 0.00 175.52 175.80 1wfs h LEU 24 N -0.12 -0.12 -1.81 2.58 3.38 -1.42 0.41 115.31 118.21 1wfs h LEU 24 Ca 0.24 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.34 1wfs h LEU 24 Cb 0.50 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1wfs h LEU 24 CO -0.61 -0.06 0.34 -0.09 0.09 0.00 0.00 178.44 178.12 1wfs h ARG 25 N -0.05 0.21 0.15 1.13 2.43 -1.05 -1.12 114.38 116.08 1wfs h ARG 25 Ca 0.03 -0.01 -0.30 0.00 -0.81 0.00 0.00 59.98 58.88 1wfs h ARG 25 Cb 0.09 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1wfs h ARG 25 CO -0.07 0.14 -1.44 0.87 -1.51 0.00 0.00 179.97 177.96 1wfs h LYS 26 N 0.21 0.32 -0.25 0.20 1.57 0.06 -3.18 116.57 115.50 1wfs h LYS 26 Ca 0.23 -0.54 -0.02 0.00 -1.87 0.00 0.00 60.65 58.45 1wfs h LYS 26 Cb 0.64 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 1wfs h LYS 26 CO -0.04 1.22 0.08 0.35 -0.57 0.00 0.00 179.45 180.49 1wfs h PHE 27 N 0.09 0.35 0.00 -1.35 3.57 0.98 1.65 116.94 122.23 1wfs h PHE 27 Ca -0.21 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.16 1wfs h PHE 27 Cb 2.03 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 40.65 1wfs h PHE 27 CO 0.08 0.30 -0.53 0.00 -2.23 0.00 0.00 178.31 175.93 1wfs h ARG 28 N 0.36 0.00 -0.55 1.11 3.08 -1.40 -3.31 114.38 113.67 1wfs h ARG 28 Ca 0.09 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.77 1wfs h ARG 28 Cb 0.12 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.77 1wfs h ARG 28 CO -0.01 0.53 -0.96 1.19 -1.07 0.00 0.00 179.97 179.65 1wfs n PHE 29 N -3.34 1.85 -1.69 3.04 3.72 -0.60 -5.09 117.46 115.35 1wfs n PHE 29 Ca 0.01 -2.10 -0.30 0.00 -0.05 0.00 0.00 57.45 55.01 1wfs n PHE 29 Cb 0.69 -0.28 0.06 0.00 -0.94 0.00 0.00 39.48 39.01 1wfs n PHE 29 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 1wfs s ARG 30 N -3.56 2.69 -0.18 -1.08 1.70 0.55 -4.91 118.95 114.16 1wfs s ARG 30 Ca 0.39 0.67 0.03 0.00 -0.47 0.00 0.00 55.73 56.35 1wfs s ARG 30 Cb 0.37 -1.98 0.34 0.00 -0.57 0.00 0.00 34.95 33.10 1wfs s ARG 30 CO -0.01 -1.20 1.34 1.63 -1.08 0.00 0.00 175.30 175.98 1wfs n LYS 31 N -3.16 1.95 -3.33 3.89 4.01 -1.26 -4.90 118.16 115.36 1wfs n LYS 31 Ca 0.07 -1.44 -0.20 0.00 -0.51 0.00 0.00 58.31 56.23 1wfs n LYS 31 Cb 0.56 -1.64 -0.01 0.00 -0.51 0.00 0.00 35.03 33.43 1wfs n LYS 31 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 1wfs s GLU 32 N -1.63 2.60 -0.08 1.97 2.02 -1.26 -5.06 118.70 117.26 1wfs s GLU 32 Ca 0.27 -1.47 0.14 0.00 0.02 0.00 0.00 54.97 53.92 1wfs s GLU 32 Cb 0.22 -2.52 0.27 0.00 0.10 0.00 0.00 34.13 32.20 1wfs s GLU 32 CO 0.06 -0.32 1.15 0.25 0.02 0.00 0.00 175.26 176.42 1wfs n THR 33 N -1.74 0.16 -4.47 3.63 -2.24 -1.26 -5.12 114.28 103.23 1wfs n THR 33 Ca 0.06 -0.86 -0.24 0.00 -2.27 0.00 0.00 64.05 60.73 1wfs n THR 33 Cb 0.61 0.85 -0.07 0.00 -2.10 0.00 0.00 70.33 69.62 1wfs n THR 33 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1wfs n ASN 34 N -0.11 1.06 -4.63 3.42 6.94 -1.26 -5.08 115.26 115.60 1wfs n ASN 34 Ca -0.10 -3.14 -0.42 0.00 -0.02 0.00 0.00 54.58 50.90 1wfs n ASN 34 Cb 0.90 1.07 -0.05 0.00 -2.36 0.00 0.00 39.78 39.34 1wfs n ASN 34 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1wfs s ASN 35 N -3.45 6.77 0.21 0.53 0.01 -1.26 -4.89 114.94 112.85 1wfs s ASN 35 Ca 0.22 0.90 0.03 0.00 -0.71 0.00 0.00 52.86 53.30 1wfs s ASN 35 Cb 0.01 -2.42 -0.05 0.00 0.41 0.00 0.00 41.25 39.20 1wfs s ASN 35 CO 0.16 -0.55 -0.02 0.00 -1.51 0.00 0.00 177.10 175.18 1wfs s ALA 36 N 2.88 1.67 0.03 0.60 0.00 -1.18 -0.60 121.76 125.16 1wfs s ALA 36 Ca 0.34 -1.69 0.01 0.00 0.00 0.00 0.00 51.96 50.62 1wfs s ALA 36 Cb -0.15 0.44 -0.02 0.00 0.00 0.00 0.00 23.12 23.39 1wfs s ALA 36 CO 0.09 -0.24 -0.05 0.00 0.00 0.00 0.00 175.76 175.56 1wfs s ALA 37 N -3.45 0.36 -0.23 0.00 0.00 0.62 -0.85 121.76 118.20 1wfs s ALA 37 Ca 0.26 -0.62 -0.02 0.00 0.00 0.00 0.00 51.96 51.58 1wfs s ALA 37 Cb 0.05 0.07 0.07 0.00 0.00 0.00 0.00 23.12 23.32 1wfs s ALA 37 CO 0.07 -0.07 0.04 0.42 0.00 0.00 0.00 175.76 176.21 1wfs s ILE 38 N -1.27 0.80 -0.25 0.00 1.01 -0.82 -1.70 121.20 118.98 1wfs s ILE 38 Ca -0.11 -0.91 -0.17 0.00 0.00 0.00 0.00 60.65 59.46 1wfs s ILE 38 Cb -0.09 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 1wfs s ILE 38 CO -0.00 -0.32 0.49 -0.63 0.00 0.00 0.00 174.94 174.48 1wfs s ILE 39 N 1.71 5.10 0.10 2.92 1.01 -0.25 -0.98 121.20 130.80 1wfs s ILE 39 Ca 0.01 0.85 0.08 0.00 0.00 0.00 0.00 60.65 61.58 1wfs s ILE 39 Cb -0.17 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 1wfs s ILE 39 CO -0.12 0.12 -0.14 -0.04 0.00 0.00 0.00 174.94 174.76 1wfs s MET 40 N 2.07 1.99 0.34 2.79 -1.94 0.72 0.70 119.30 125.98 1wfs s MET 40 Ca 0.21 -1.07 0.04 0.00 -1.71 0.00 0.00 55.69 53.15 1wfs s MET 40 Cb -0.16 -2.22 -0.06 0.00 2.01 0.00 0.00 34.83 34.41 1wfs s MET 40 CO 0.09 0.50 0.07 -1.59 -0.01 0.00 0.00 175.02 174.08 1wfs s LYS 41 N -2.05 1.72 -0.25 2.03 -2.85 0.22 -1.27 119.74 117.29 1wfs s LYS 41 Ca 0.19 -1.98 0.02 0.00 -1.00 0.00 0.00 55.97 53.20 1wfs s LYS 41 Cb -0.11 -0.84 0.06 0.00 -2.06 0.00 0.00 37.83 34.89 1wfs s LYS 41 CO 0.11 -0.25 -0.06 0.54 0.10 0.00 0.00 175.35 175.79 1wfs s VAL 42 N -3.27 1.74 -0.24 1.79 0.11 -1.26 0.11 120.40 119.37 1wfs s VAL 42 Ca 0.33 -1.41 -0.29 0.00 -2.93 0.00 0.00 61.98 57.69 1wfs s VAL 42 Cb 0.07 -1.98 -0.03 0.00 -1.53 0.00 0.00 36.38 32.92 1wfs s VAL 42 CO 0.15 -0.12 1.71 -1.81 -3.33 0.00 0.00 175.10 171.69 1wfs s ASP 43 N 1.29 6.20 0.64 3.54 1.11 -0.89 -4.84 116.67 123.72 1wfs s ASP 43 Ca -0.05 1.59 0.41 0.00 0.18 0.00 0.00 52.55 54.67 1wfs s ASP 43 Cb -0.19 -2.53 2.21 0.00 1.07 0.00 0.00 42.92 43.48 1wfs s ASP 43 CO -0.06 -1.41 2.24 0.50 1.18 0.00 0.00 175.17 177.62 1wfs h LYS 44 N 11.52 0.00 0.25 8.23 3.11 -1.96 1.88 116.57 139.60 1wfs h LYS 44 Ca -0.35 0.00 -0.34 0.00 -2.81 0.00 0.00 60.65 57.15 1wfs h LYS 44 Cb 1.16 0.00 0.04 0.00 -1.00 0.00 0.00 32.23 32.43 1wfs h LYS 44 CO 1.01 0.00 -1.50 0.38 -2.81 0.00 0.00 179.45 176.52 1wfs h ASP 45 N 0.00 0.82 -0.02 4.20 3.04 -1.97 -3.32 116.42 119.17 1wfs h ASP 45 Ca 0.00 -0.90 0.00 0.00 -3.24 0.00 0.00 57.03 52.89 1wfs h ASP 45 Cb 0.11 -0.27 0.00 0.00 -1.04 0.00 0.00 39.33 38.13 1wfs h ASP 45 CO 0.00 1.71 -0.24 0.54 -2.04 0.00 0.00 179.24 179.21 1wfs n ARG 46 N -3.70 1.66 -4.41 4.15 1.74 -0.43 -4.97 116.66 110.70 1wfs n ARG 46 Ca -0.17 -1.32 -0.40 0.00 -0.77 0.00 0.00 57.85 55.19 1wfs n ARG 46 Cb 1.10 -1.41 -0.06 0.00 -1.02 0.00 0.00 32.46 31.07 1wfs n ARG 46 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1wfs n GLN 47 N 0.52 -1.69 -4.07 5.56 1.13 0.63 -4.91 117.38 114.54 1wfs n GLN 47 Ca 0.10 0.23 -0.14 0.00 -1.94 0.00 0.00 57.00 55.26 1wfs n GLN 47 Cb 0.48 -4.82 -0.11 0.00 0.11 0.00 0.00 30.24 25.90 1wfs n GLN 47 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wfs s MET 48 N -7.12 0.56 -0.57 -1.09 0.23 -1.22 -2.94 119.30 107.15 1wfs s MET 48 Ca 0.76 -0.78 -0.27 0.00 -1.03 0.00 0.00 55.69 54.36 1wfs s MET 48 Cb -0.43 -0.35 0.03 0.00 -1.53 0.00 0.00 34.83 32.55 1wfs s MET 48 CO 0.99 0.06 1.15 0.08 -2.03 0.00 0.00 175.02 175.27 1wfs s VAL 49 N -1.39 4.09 -0.05 5.16 1.01 0.56 -2.09 120.40 127.70 1wfs s VAL 49 Ca -0.09 0.79 0.04 0.00 0.00 0.00 0.00 61.98 62.73 1wfs s VAL 49 Cb -0.10 -4.69 -0.02 0.00 0.00 0.00 0.00 36.38 31.57 1wfs s VAL 49 CO 0.01 -1.30 -0.18 0.68 0.00 0.00 0.00 175.10 174.31 1wfs s VAL 50 N 4.76 2.71 0.50 2.92 -7.23 0.29 -2.34 120.40 122.02 1wfs s VAL 50 Ca 0.41 -0.85 -0.19 0.00 -1.81 0.00 0.00 61.98 59.54 1wfs s VAL 50 Cb -0.08 -2.04 -0.13 0.00 0.56 0.00 0.00 36.38 34.69 1wfs s VAL 50 CO 0.24 0.58 0.16 -0.11 -0.31 0.00 0.00 175.10 175.66 1wfs n LEU 51 N 2.55 -1.89 -0.01 1.32 0.00 -1.26 -0.61 117.00 117.09 1wfs n LEU 51 Ca -0.17 0.72 -0.02 0.00 0.00 0.00 0.00 56.01 56.54 1wfs n LEU 51 Cb 0.52 -0.98 -0.01 0.00 0.00 0.00 0.00 43.42 42.96 1wfs n LEU 51 CO 0.25 -4.02 -0.57 1.21 0.00 0.00 0.00 177.39 174.26 1wfs n GLU 52 N 0.93 0.05 -3.61 1.96 4.07 0.22 -4.48 120.64 119.78 1wfs n GLU 52 Ca 0.10 0.02 -0.10 0.00 -0.06 0.00 0.00 57.16 57.12 1wfs n GLU 52 Cb 0.46 -0.77 -0.02 0.00 -0.06 0.00 0.00 31.44 31.05 1wfs n GLU 52 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1wfs s ASP 53 N -4.79 -0.43 -0.19 4.31 1.01 0.49 -5.00 116.67 112.07 1wfs s ASP 53 Ca -0.03 -0.26 -0.04 0.00 0.71 0.00 0.00 52.55 52.93 1wfs s ASP 53 Cb 0.01 0.65 0.10 0.00 1.01 0.00 0.00 42.92 44.69 1wfs s ASP 53 CO 0.04 -1.13 0.27 -1.61 0.21 0.00 0.00 175.17 172.96 1wfs s GLU 54 N -3.81 0.22 -0.14 8.23 2.02 -1.26 -1.09 118.70 122.87 1wfs s GLU 54 Ca 0.05 0.43 -0.00 0.00 0.02 0.00 0.00 54.97 55.46 1wfs s GLU 54 Cb -0.03 -0.73 -0.01 0.00 0.10 0.00 0.00 34.13 33.45 1wfs s GLU 54 CO -0.04 -0.55 -0.12 -0.51 0.02 0.00 0.00 175.26 174.05 1wfs s LEU 55 N 2.40 2.75 0.25 1.80 1.43 -0.69 -5.00 118.68 121.62 1wfs s LEU 55 Ca 0.07 -0.32 0.07 0.00 -1.03 0.00 0.00 54.13 52.92 1wfs s LEU 55 Cb -0.15 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 1wfs s LEU 55 CO -0.12 0.16 0.18 -1.10 0.23 0.00 0.00 176.35 175.69 1wfs s GLN 56 N 0.41 2.86 -1.29 1.70 1.11 -1.26 -0.28 119.66 122.91 1wfs s GLN 56 Ca -0.10 -1.10 -0.12 0.00 0.01 0.00 0.00 55.36 54.05 1wfs s GLN 56 Cb -0.16 -2.52 0.00 0.00 -1.01 0.00 0.00 33.01 29.33 1wfs s GLN 56 CO 0.05 0.39 0.58 0.27 0.01 0.00 0.00 175.29 176.59 1wfs n ASN 57 N -1.15 -2.63 -4.15 5.90 0.23 0.23 -4.93 115.26 108.76 1wfs n ASN 57 Ca -0.08 -1.06 -0.25 0.00 -0.53 0.00 0.00 54.58 52.66 1wfs n ASN 57 Cb 0.58 -2.96 -0.16 0.00 -2.08 0.00 0.00 39.78 35.16 1wfs n ASN 57 CO 0.00 0.00 0.00 -0.51 -0.93 0.00 0.00 177.26 175.82 1wfs s ILE 58 N -3.74 1.40 0.74 1.53 -1.16 0.19 -4.98 121.20 115.19 1wfs s ILE 58 Ca 0.24 -0.73 -0.09 0.00 -0.51 0.00 0.00 60.65 59.55 1wfs s ILE 58 Cb -0.10 -1.19 0.06 0.00 0.61 0.00 0.00 42.46 41.85 1wfs s ILE 58 CO 0.89 0.40 1.08 -0.44 -2.81 0.00 0.00 174.94 174.07 1wfs s SER 59 N -0.21 4.79 0.00 4.50 0.01 -1.26 -4.48 113.70 117.05 1wfs s SER 59 Ca 0.02 0.67 0.11 0.00 1.31 0.00 0.00 55.95 58.06 1wfs s SER 59 Cb -0.09 -1.29 0.66 0.00 0.21 0.00 0.00 66.02 65.51 1wfs s SER 59 CO 0.01 -1.67 1.09 -0.81 0.41 0.00 0.00 173.24 172.27 1wfs n PRO 60 N -3.07 0.49 -0.04 12.44 -0.04 -1.26 -2.09 135.00 141.42 1wfs n PRO 60 Ca 0.08 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.56 1wfs n PRO 60 Cb 0.60 -1.35 -0.14 0.00 -0.04 0.00 0.00 33.50 32.57 1wfs n PRO 60 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wfs n GLU 61 N -0.85 0.84 0.02 0.54 1.02 -1.26 -4.26 120.64 116.69 1wfs n GLU 61 Ca 0.08 -0.10 -0.21 0.00 -0.02 0.00 0.00 57.16 56.91 1wfs n GLU 61 Cb 0.04 -1.43 -0.14 0.00 -0.02 0.00 0.00 31.44 29.89 1wfs n GLU 61 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1wfs h GLU 62 N 0.00 0.27 -0.36 3.49 4.39 -1.79 -3.32 114.58 117.25 1wfs h GLU 62 Ca -0.19 -0.46 0.07 0.00 0.34 0.00 0.00 59.36 59.12 1wfs h GLU 62 Cb 1.33 0.17 -0.07 0.00 -0.10 0.00 0.00 28.75 30.08 1wfs h GLU 62 CO 0.01 1.22 -0.10 1.25 -1.16 0.00 0.00 179.01 180.23 1wfs h LEU 63 N -0.29 -0.36 -1.18 1.33 6.46 -1.77 0.27 115.31 119.77 1wfs h LEU 63 Ca -0.27 0.11 0.14 0.00 -0.12 0.00 0.00 57.88 57.74 1wfs h LEU 63 Cb 1.76 0.24 -0.08 0.00 -0.73 0.00 0.00 40.66 41.85 1wfs h LEU 63 CO 0.09 -0.13 0.60 0.50 -0.62 0.00 0.00 178.44 178.87 1wfs h LYS 64 N -0.01 0.77 -0.30 1.25 3.64 -1.75 -0.24 116.57 119.93 1wfs h LYS 64 Ca 0.18 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.37 1wfs h LYS 64 Cb 0.28 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1wfs h LYS 64 CO -0.38 0.51 -0.37 -0.07 -2.27 0.00 0.00 179.45 176.86 1wfs h LEU 65 N 0.79 0.84 -1.61 5.20 3.38 -1.19 -3.01 115.31 119.72 1wfs h LEU 65 Ca 0.47 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1wfs h LEU 65 Cb 0.66 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1wfs h LEU 65 CO -0.23 1.17 -0.21 -0.33 0.09 0.00 0.00 178.44 178.93 1wfs h GLU 66 N 0.54 0.00 -6.97 1.13 4.39 0.28 -3.43 114.58 110.52 1wfs h GLU 66 Ca 0.04 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.27 1wfs h GLU 66 Cb 0.96 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.62 1wfs h GLU 66 CO 0.09 0.21 0.39 -0.51 -1.16 0.00 0.00 179.01 178.02 1wfs s LEU 67 N -8.37 4.12 0.00 1.33 1.43 -0.23 -5.06 118.68 111.90 1wfs s LEU 67 Ca -0.04 1.93 -0.01 0.00 -1.03 0.00 0.00 54.13 54.99 1wfs s LEU 67 Cb 0.15 -4.25 0.01 0.00 0.03 0.00 0.00 46.19 42.13 1wfs s LEU 67 CO 0.69 -0.42 0.03 -0.81 0.23 0.00 0.00 176.35 176.07 1wfs n PRO 68 N -0.13 -1.08 0.00 1.29 -0.04 -1.26 -4.95 135.00 128.82 1wfs n PRO 68 Ca 0.05 -0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1wfs n PRO 68 Cb 0.51 -0.05 0.00 0.00 -0.04 0.00 0.00 33.50 33.92 1wfs n PRO 68 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wfs n GLU 69 N -1.61 4.07 -0.29 0.54 0.00 -1.26 -4.75 120.64 117.34 1wfs n GLU 69 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1wfs n GLU 69 Cb 0.02 -0.59 0.00 0.00 0.00 0.00 0.00 31.44 30.87 1wfs n GLU 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1wfs n ARG 70 N -0.96 0.00 -3.98 3.44 1.74 -1.26 -4.21 116.66 111.43 1wfs n ARG 70 Ca 0.00 -0.80 -0.32 0.00 -0.77 0.00 0.00 57.85 55.96 1wfs n ARG 70 Cb 0.00 -0.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.80 1wfs n ARG 70 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1wfs s GLN 71 N -0.00 1.82 0.27 5.56 -0.21 -1.26 -4.16 119.66 121.67 1wfs s GLN 71 Ca 0.00 -1.69 -0.29 0.00 0.02 0.00 0.00 55.36 53.39 1wfs s GLN 71 Cb 0.00 -3.20 -0.10 0.00 1.00 0.00 0.00 33.01 30.72 1wfs s GLN 71 CO 0.00 -0.85 1.26 -1.25 -2.12 0.00 0.00 175.29 172.33 1wfs s PRO 72 N 1.02 4.44 0.11 2.91 0.04 -1.26 -4.66 135.00 137.59 1wfs s PRO 72 Ca 0.05 2.05 -0.26 0.00 0.04 0.00 0.00 61.00 62.88 1wfs s PRO 72 Cb -0.20 -3.15 0.08 0.00 0.04 0.00 0.00 34.50 31.27 1wfs s PRO 72 CO -0.06 -0.11 1.06 -0.98 0.04 0.00 0.00 177.00 176.94 1wfs s ARG 73 N -1.07 1.00 0.13 4.56 1.70 -1.02 -4.93 118.95 119.34 1wfs s ARG 73 Ca 0.51 -0.57 -0.02 0.00 -0.47 0.00 0.00 55.73 55.18 1wfs s ARG 73 Cb -0.37 0.33 -0.05 0.00 -0.57 0.00 0.00 34.95 34.30 1wfs s ARG 73 CO 0.44 -0.46 0.32 -0.06 -1.08 0.00 0.00 175.30 174.47 1wfs s PHE 74 N -2.91 3.49 -0.19 5.89 0.08 -0.39 -2.00 117.98 121.95 1wfs s PHE 74 Ca 0.14 0.38 -0.10 0.00 0.12 0.00 0.00 56.93 57.47 1wfs s PHE 74 Cb 0.00 -1.87 0.06 0.00 -0.57 0.00 0.00 43.02 40.64 1wfs s PHE 74 CO 0.01 0.47 0.46 0.08 -0.10 0.00 0.00 175.22 176.14 1wfs s VAL 75 N -1.67 -0.07 -0.42 -0.44 1.01 -0.14 -0.20 120.40 118.48 1wfs s VAL 75 Ca 0.38 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.40 1wfs s VAL 75 Cb -0.12 -0.68 0.11 0.00 0.00 0.00 0.00 36.38 35.69 1wfs s VAL 75 CO 0.27 0.03 0.22 -0.69 0.00 0.00 0.00 175.10 174.94 1wfs s VAL 76 N 1.53 3.50 -0.09 2.92 1.01 -0.16 0.11 120.40 129.22 1wfs s VAL 76 Ca -0.09 -1.94 -0.17 0.00 0.00 0.00 0.00 61.98 59.78 1wfs s VAL 76 Cb -0.08 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 1wfs s VAL 76 CO -0.14 -0.67 0.44 -0.47 0.00 0.00 0.00 175.10 174.26 1wfs s TYR 77 N 1.20 3.56 -0.46 5.22 5.04 -1.13 -1.94 117.35 128.85 1wfs s TYR 77 Ca 0.07 0.89 -0.01 0.00 -2.44 0.00 0.00 57.07 55.57 1wfs s TYR 77 Cb -0.23 -2.46 0.12 0.00 0.35 0.00 0.00 41.96 39.74 1wfs s TYR 77 CO -0.03 0.30 0.25 0.45 -1.34 0.00 0.00 175.55 175.17 1wfs s SER 78 N 0.16 5.08 0.60 4.32 0.15 -0.03 -2.39 113.70 121.59 1wfs s SER 78 Ca 0.24 -2.36 -0.05 0.00 0.70 0.00 0.00 55.95 54.49 1wfs s SER 78 Cb -0.15 -1.79 0.02 0.00 -1.71 0.00 0.00 66.02 62.39 1wfs s SER 78 CO 0.10 -0.44 0.89 -0.47 1.20 0.00 0.00 173.24 174.52 1wfs s TYR 79 N 0.65 3.12 -0.27 3.44 5.04 -1.26 -3.11 117.35 124.97 1wfs s TYR 79 Ca 0.12 0.47 -0.02 0.00 -2.44 0.00 0.00 57.07 55.20 1wfs s TYR 79 Cb -0.22 -2.80 0.04 0.00 0.35 0.00 0.00 41.96 39.33 1wfs s TYR 79 CO -0.04 -0.92 -0.03 0.21 -1.34 0.00 0.00 175.55 173.43 1wfs s LYS 80 N -4.98 2.65 -0.18 4.97 2.20 -1.26 -2.72 119.74 120.42 1wfs s LYS 80 Ca 0.55 -1.11 -0.05 0.00 -0.36 0.00 0.00 55.97 55.00 1wfs s LYS 80 Cb -0.10 -3.07 -0.03 0.00 -1.51 0.00 0.00 37.83 33.11 1wfs s LYS 80 CO 0.43 -0.50 -0.00 -0.47 -0.36 0.00 0.00 175.35 174.45 1wfs s TYR 81 N 1.29 3.07 0.37 4.03 6.14 0.14 -4.98 117.35 127.42 1wfs s TYR 81 Ca -0.02 -0.32 -0.01 0.00 0.64 0.00 0.00 57.07 57.36 1wfs s TYR 81 Cb -0.18 -2.04 -0.04 0.00 0.42 0.00 0.00 41.96 40.12 1wfs s TYR 81 CO -0.03 -0.11 0.60 0.08 0.64 0.00 0.00 175.55 176.74 1wfs s VAL 82 N 0.69 5.05 0.00 3.14 1.01 -1.26 -0.55 120.40 128.48 1wfs s VAL 82 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1wfs s VAL 82 Cb -0.14 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1wfs s VAL 82 CO 0.02 -0.61 0.00 1.41 0.00 0.00 0.00 175.10 175.92 1wfs n HIS 83 N -1.83 0.00 0.04 5.22 -0.00 0.22 -4.92 115.22 113.95 1wfs n HIS 83 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.69 1wfs n HIS 83 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.55 1wfs n HIS 83 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1wfs n ASP 84 N 0.00 -0.79 0.21 0.41 2.03 -1.26 -4.93 116.55 112.22 1wfs n ASP 84 Ca 0.00 0.43 0.12 0.00 0.52 0.00 0.00 54.79 55.86 1wfs n ASP 84 Cb 0.00 1.03 0.64 0.00 -0.72 0.00 0.00 41.12 42.07 1wfs n ASP 84 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1wfs h ASP 85 N 0.00 0.00 0.00 1.67 3.32 -2.06 -3.42 116.42 115.92 1wfs h ASP 85 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wfs h ASP 85 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1wfs h ASP 85 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 1wfs n GLY 86 N -1.25 0.83 3.66 2.75 0.00 -1.26 -5.14 105.19 104.78 1wfs n GLY 86 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1wfs n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wfs s ARG 87 N 0.00 3.27 -0.04 1.61 1.81 -1.26 -4.99 118.95 119.34 1wfs s ARG 87 Ca 0.00 -0.40 0.00 0.00 -1.72 0.00 0.00 55.73 53.62 1wfs s ARG 87 Cb 0.00 -2.90 0.02 0.00 -0.45 0.00 0.00 34.95 31.63 1wfs s ARG 87 CO 0.00 0.57 -0.02 0.54 -0.68 0.00 0.00 175.30 175.71 1wfs s VAL 88 N -0.51 0.41 0.23 3.52 0.11 -1.26 0.70 120.40 123.59 1wfs s VAL 88 Ca 0.09 -0.02 0.10 0.00 -2.93 0.00 0.00 61.98 59.22 1wfs s VAL 88 Cb -0.12 -0.47 -0.05 0.00 -1.53 0.00 0.00 36.38 34.21 1wfs s VAL 88 CO 0.02 0.21 -0.19 -0.44 -3.33 0.00 0.00 175.10 171.37 1wfs s SER 89 N 1.13 3.17 -0.59 3.54 0.01 0.29 -4.97 113.70 116.29 1wfs s SER 89 Ca -0.08 -0.96 -0.08 0.00 1.31 0.00 0.00 55.95 56.14 1wfs s SER 89 Cb -0.14 -0.23 0.15 0.00 0.21 0.00 0.00 66.02 66.02 1wfs s SER 89 CO -0.01 -0.00 0.46 -0.31 0.41 0.00 0.00 173.24 173.78 1wfs s TYR 90 N -2.35 3.50 -0.80 2.43 2.02 -1.26 0.28 117.35 121.17 1wfs s TYR 90 Ca 0.24 -2.16 -0.25 0.00 -0.37 0.00 0.00 57.07 54.53 1wfs s TYR 90 Cb -0.05 -3.48 -0.04 0.00 -0.40 0.00 0.00 41.96 38.00 1wfs s TYR 90 CO 0.11 -0.95 1.92 -1.25 -1.57 0.00 0.00 175.55 173.80 1wfs s PRO 91 N 0.69 2.58 0.13 -1.71 0.04 -1.10 -4.83 135.00 130.80 1wfs s PRO 91 Ca 0.12 0.04 -0.30 0.00 0.04 0.00 0.00 61.00 60.89 1wfs s PRO 91 Cb -0.21 -4.82 -0.07 0.00 0.04 0.00 0.00 34.50 29.44 1wfs s PRO 91 CO -0.03 -3.14 1.24 -0.51 0.04 0.00 0.00 177.00 174.59 1wfs s LEU 92 N 9.72 4.41 0.24 -3.56 1.02 -1.26 -4.02 118.68 125.23 1wfs s LEU 92 Ca 0.69 2.19 0.02 0.00 0.02 0.00 0.00 54.13 57.06 1wfs s LEU 92 Cb -0.09 -3.59 -0.05 0.00 0.02 0.00 0.00 46.19 42.48 1wfs s LEU 92 CO 0.07 -0.46 0.04 0.00 0.02 0.00 0.00 176.35 176.02 1wfs s PHE 94 N -3.58 3.37 -0.29 0.00 5.36 -0.30 -2.84 117.98 119.69 1wfs s PHE 94 Ca 0.31 -1.74 -0.17 0.00 -0.96 0.00 0.00 56.93 54.37 1wfs s PHE 94 Cb 0.07 -2.79 -0.02 0.00 -0.34 0.00 0.00 43.02 39.94 1wfs s PHE 94 CO 0.10 -0.85 0.49 0.42 -1.46 0.00 0.00 175.22 173.92 1wfs s ILE 95 N 1.34 5.07 -0.44 3.12 1.01 0.30 -1.48 121.20 130.11 1wfs s ILE 95 Ca 0.02 0.63 -0.16 0.00 0.00 0.00 0.00 60.65 61.14 1wfs s ILE 95 Cb -0.22 -3.85 0.04 0.00 0.01 0.00 0.00 42.46 38.43 1wfs s ILE 95 CO 0.00 -0.01 0.40 0.12 0.00 0.00 0.00 174.94 175.46 1wfs s PHE 96 N 2.30 3.20 -0.95 3.97 5.36 -1.10 -0.96 117.98 129.80 1wfs s PHE 96 Ca 0.19 -0.60 -0.24 0.00 -0.96 0.00 0.00 56.93 55.33 1wfs s PHE 96 Cb -0.16 -2.93 0.04 0.00 -0.34 0.00 0.00 43.02 39.63 1wfs s PHE 96 CO 0.11 -0.73 1.47 0.45 -1.46 0.00 0.00 175.22 175.06 1wfs s SER 97 N 2.06 6.29 -0.47 6.13 0.15 -0.84 -2.50 113.70 124.52 1wfs s SER 97 Ca 0.08 -1.15 0.03 0.00 0.70 0.00 0.00 55.95 55.61 1wfs s SER 97 Cb -0.20 -2.57 0.12 0.00 -1.71 0.00 0.00 66.02 61.67 1wfs s SER 97 CO 0.11 -1.70 0.21 -0.55 1.20 0.00 0.00 173.24 172.51 1wfs s SER 98 N 5.07 4.65 0.36 5.45 0.15 -1.04 -2.42 113.70 125.92 1wfs s SER 98 Ca 0.46 -2.65 0.00 0.00 0.70 0.00 0.00 55.95 54.47 1wfs s SER 98 Cb -0.02 -1.68 0.00 0.00 -1.71 0.00 0.00 66.02 62.61 1wfs s SER 98 CO -0.04 -0.32 0.00 -0.81 1.20 0.00 0.00 173.24 173.27 1wfs n PRO 99 N 3.63 0.27 0.00 5.44 -0.04 -1.21 -4.04 135.00 139.05 1wfs n PRO 99 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1wfs n PRO 99 Cb 0.37 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 1wfs n PRO 99 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1wfs n VAL 100 N -1.23 0.00 1.60 0.52 0.31 -1.26 -4.68 118.33 113.59 1wfs n VAL 100 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.41 1wfs n VAL 100 Cb 0.00 -0.73 0.49 0.00 -0.91 0.00 0.00 33.84 32.69 1wfs n VAL 100 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wfs n GLY 101 N 2.48 -0.80 1.76 2.92 0.00 -1.26 -4.81 105.19 105.49 1wfs n GLY 101 Ca 0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 1wfs n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfs s LYS 103 N -4.29 2.65 0.14 0.00 1.02 -1.26 -5.00 119.74 112.99 1wfs s LYS 103 Ca 0.34 -0.79 0.19 0.00 0.02 0.00 0.00 55.97 55.73 1wfs s LYS 103 Cb -0.01 -2.60 0.80 0.00 -0.52 0.00 0.00 37.83 35.51 1wfs s LYS 103 CO 0.24 0.55 1.59 -0.35 -0.92 0.00 0.00 175.35 176.45 1wfs n PRO 104 N 0.52 0.10 0.08 -1.68 -0.04 -1.26 -1.92 135.00 130.80 1wfs n PRO 104 Ca -0.10 0.35 -0.13 0.00 -0.04 0.00 0.00 63.50 63.58 1wfs n PRO 104 Cb 0.52 -1.70 -0.07 0.00 -0.04 0.00 0.00 33.50 32.21 1wfs n PRO 104 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1wfs h GLU 105 N 0.00 0.30 0.00 0.54 5.08 -2.01 -3.26 114.58 115.24 1wfs h GLU 105 Ca 0.00 -0.39 -0.07 0.00 -1.00 0.00 0.00 59.36 57.90 1wfs h GLU 105 Cb 0.30 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1wfs h GLU 105 CO 0.00 1.11 -0.79 1.04 -1.00 0.00 0.00 179.01 179.37 1wfs n GLN 106 N -3.65 0.49 -0.28 2.33 1.13 -1.07 -3.95 117.38 112.38 1wfs n GLN 106 Ca -0.06 0.51 0.25 0.00 -1.94 0.00 0.00 57.00 55.75 1wfs n GLN 106 Cb 0.89 -1.68 0.46 0.00 0.11 0.00 0.00 30.24 30.03 1wfs n GLN 106 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1wfs n GLN 107 N -4.55 -0.06 -0.13 -1.09 0.00 -0.81 0.19 117.38 110.94 1wfs n GLN 107 Ca -0.15 1.23 -0.10 0.00 -0.00 0.00 0.00 57.00 57.98 1wfs n GLN 107 Cb 0.40 -2.15 -0.02 0.00 0.00 0.00 0.00 30.24 28.48 1wfs n GLN 107 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 1wfs h MET 108 N 0.00 0.58 -1.05 3.69 2.86 -1.74 0.26 114.93 119.53 1wfs h MET 108 Ca 0.70 -0.13 0.27 0.00 -2.06 0.00 0.00 59.70 58.48 1wfs h MET 108 Cb 1.78 -0.08 -0.10 0.00 0.06 0.00 0.00 31.60 33.27 1wfs h MET 108 CO -0.70 0.61 0.67 0.52 1.06 0.00 0.00 176.91 179.07 1wfs h MET 109 N 0.45 0.38 0.05 1.72 2.86 0.19 0.48 114.93 121.07 1wfs h MET 109 Ca 0.12 -0.02 -0.33 0.00 -2.06 0.00 0.00 59.70 57.41 1wfs h MET 109 Cb 0.28 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 1wfs h MET 109 CO -0.00 0.25 -1.88 0.66 1.06 0.00 0.00 176.91 177.00 1wfs n TYR 110 N -4.64 1.05 0.23 -0.22 4.02 -1.03 -2.93 117.16 113.63 1wfs n TYR 110 Ca 0.26 0.30 0.07 0.00 -0.01 0.00 0.00 57.90 58.52 1wfs n TYR 110 Cb 0.89 -1.16 0.54 0.00 -0.02 0.00 0.00 39.34 39.58 1wfs n TYR 110 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wfs h ALA 111 N 0.58 1.41 0.00 -0.72 0.00 0.13 0.99 119.26 121.64 1wfs h ALA 111 Ca -0.36 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.20 1wfs h ALA 111 Cb 2.03 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.76 1wfs h ALA 111 CO 0.08 0.28 -1.63 0.41 0.00 0.00 0.00 179.25 178.39 1wfs n GLY 112 N -0.66 -1.16 0.02 0.00 0.00 0.15 -4.18 105.19 99.37 1wfs n GLY 112 Ca -0.02 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.87 1wfs n GLY 112 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfs n SER 113 N -2.73 0.47 -0.11 1.61 7.64 -1.07 -4.51 113.62 114.91 1wfs n SER 113 Ca -0.11 -0.24 -0.09 0.00 1.01 0.00 0.00 58.87 59.45 1wfs n SER 113 Cb 0.81 1.28 -0.06 0.00 -1.01 0.00 0.00 64.21 65.22 1wfs n SER 113 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1wfs h LYS 114 N 0.00 -0.21 -0.78 1.43 3.64 0.85 0.96 116.57 122.46 1wfs h LYS 114 Ca 0.00 0.01 0.18 0.00 -1.27 0.00 0.00 60.65 59.58 1wfs h LYS 114 Cb 0.81 0.05 -0.13 0.00 -0.41 0.00 0.00 32.23 32.56 1wfs h LYS 114 CO 0.00 -0.14 0.13 -0.91 -2.27 0.00 0.00 179.45 176.26 1wfs h ASN 115 N -0.22 -0.12 0.18 4.20 2.35 -1.82 0.22 115.58 120.38 1wfs h ASN 115 Ca 0.05 0.18 0.01 0.00 -0.55 0.00 0.00 56.30 55.99 1wfs h ASN 115 Cb 0.36 0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 1wfs h ASN 115 CO -0.41 -0.12 -0.24 -0.09 -1.65 0.00 0.00 177.43 174.93 1wfs h ARG 116 N 0.19 -0.46 0.72 0.81 9.65 -1.31 0.26 114.38 124.24 1wfs h ARG 116 Ca 0.45 0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 59.33 1wfs h ARG 116 Cb 0.83 0.10 0.01 0.00 -1.39 0.00 0.00 29.97 29.52 1wfs h ARG 116 CO -0.61 -0.31 -0.35 1.25 2.80 0.00 0.00 179.97 182.76 1wfs h LEU 117 N -0.48 -0.83 -0.30 3.80 7.12 0.53 -2.26 115.31 122.90 1wfs h LEU 117 Ca 0.01 0.03 0.07 0.00 0.13 0.00 0.00 57.88 58.12 1wfs h LEU 117 Cb 0.47 0.22 -0.08 0.00 -0.53 0.00 0.00 40.66 40.74 1wfs h LEU 117 CO -0.09 -0.59 -0.23 0.58 -0.13 0.00 0.00 178.44 177.98 1wfs h VAL 118 N -0.97 0.39 -0.98 1.05 2.07 -0.57 0.13 116.25 117.37 1wfs h VAL 118 Ca -0.10 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.64 1wfs h VAL 118 Cb 0.75 0.39 -0.09 0.00 -1.52 0.00 0.00 31.29 30.82 1wfs h VAL 118 CO 0.16 0.00 0.63 1.56 0.02 0.00 0.00 177.57 179.93 1wfs h GLN 119 N -0.21 0.51 -0.47 1.57 4.20 -0.41 0.85 115.11 121.14 1wfs h GLN 119 Ca 0.16 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.79 1wfs h GLN 119 Cb 0.45 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1wfs h GLN 119 CO -0.42 0.34 0.12 1.15 -0.67 0.00 0.00 178.83 179.35 1wfs h THR 120 N 0.52 1.23 0.00 -0.54 2.02 -0.37 -2.50 112.91 113.28 1wfs h THR 120 Ca 0.55 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1wfs h THR 120 Cb 1.19 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1wfs h THR 120 CO -0.28 0.29 0.00 0.00 0.37 0.00 0.00 175.52 175.89 1wfs h ALA 121 N 0.99 1.00 -1.90 6.16 0.00 -0.40 -3.46 119.26 121.64 1wfs h ALA 121 Ca 0.15 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.86 1wfs h ALA 121 Cb 0.31 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1wfs h ALA 121 CO -0.00 0.00 -0.28 -1.91 0.00 0.00 0.00 179.25 177.06 1wfs n GLU 122 N -2.98 -1.55 -2.74 0.00 4.07 0.03 -4.83 120.64 112.64 1wfs n GLU 122 Ca 0.02 0.47 -0.43 0.00 -0.06 0.00 0.00 57.16 57.16 1wfs n GLU 122 Cb 0.38 -4.45 -0.02 0.00 -0.06 0.00 0.00 31.44 27.29 1wfs n GLU 122 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1wfs s LEU 123 N -3.18 4.27 0.56 4.31 1.43 -1.20 -4.83 118.68 120.04 1wfs s LEU 123 Ca 0.07 -1.85 0.27 0.00 -1.03 0.00 0.00 54.13 51.60 1wfs s LEU 123 Cb -0.03 -2.49 1.49 0.00 0.03 0.00 0.00 46.19 45.20 1wfs s LEU 123 CO 0.09 -1.26 2.00 0.00 0.23 0.00 0.00 176.35 177.40 1wfs h THR 124 N 6.20 0.55 -3.21 5.49 1.03 -1.91 -3.33 112.91 117.73 1wfs h THR 124 Ca 0.20 0.00 -0.76 0.00 -0.01 0.00 0.00 66.41 65.85 1wfs h THR 124 Cb 1.00 0.73 -0.25 0.00 -1.07 0.00 0.00 68.15 68.56 1wfs h THR 124 CO 1.28 0.00 -0.22 -0.54 -0.01 0.00 0.00 175.52 176.04 1wfs s LYS 125 N -4.79 2.97 -0.20 0.00 1.02 -1.26 -5.03 119.74 112.45 1wfs s LYS 125 Ca -0.05 -1.81 0.01 0.00 0.02 0.00 0.00 55.97 54.14 1wfs s LYS 125 Cb 0.17 -4.25 0.04 0.00 -0.52 0.00 0.00 37.83 33.28 1wfs s LYS 125 CO 0.63 -1.30 -0.10 0.54 -0.92 0.00 0.00 175.35 174.19 1wfs s VAL 126 N 1.39 1.62 0.25 3.17 0.11 -1.25 -1.15 120.40 124.53 1wfs s VAL 126 Ca 0.05 -1.00 0.07 0.00 -2.93 0.00 0.00 61.98 58.17 1wfs s VAL 126 Cb -0.27 -1.70 -0.03 0.00 -1.53 0.00 0.00 36.38 32.84 1wfs s VAL 126 CO 0.01 0.16 0.23 -0.36 -3.33 0.00 0.00 175.10 171.81 1wfs s PHE 127 N 1.41 3.18 -0.19 1.54 0.08 -0.55 -4.92 117.98 118.52 1wfs s PHE 127 Ca -0.01 -0.09 0.01 0.00 0.12 0.00 0.00 56.93 56.96 1wfs s PHE 127 Cb -0.16 -1.44 0.04 0.00 -0.57 0.00 0.00 43.02 40.89 1wfs s PHE 127 CO -0.08 0.50 -0.12 -2.00 -0.10 0.00 0.00 175.22 173.43 1wfs s GLU 128 N -3.87 2.18 -0.17 0.44 2.12 -1.26 -2.70 118.70 115.44 1wfs s GLU 128 Ca 0.33 -0.84 -0.11 0.00 0.36 0.00 0.00 54.97 54.71 1wfs s GLU 128 Cb -0.08 -2.42 -0.05 0.00 0.26 0.00 0.00 34.13 31.84 1wfs s GLU 128 CO 0.26 -0.39 0.20 0.96 -0.54 0.00 0.00 175.26 175.74 1wfs s ILE 129 N 1.38 5.37 0.23 -3.70 -4.36 -1.04 -4.81 121.20 114.27 1wfs s ILE 129 Ca -0.00 0.33 0.06 0.00 -0.26 0.00 0.00 60.65 60.78 1wfs s ILE 129 Cb -0.16 -3.53 -0.06 0.00 1.25 0.00 0.00 42.46 39.97 1wfs s ILE 129 CO -0.09 0.44 1.54 -0.09 0.24 0.00 0.00 174.94 176.98 1wfs h ARG 130 N 6.47 0.17 -2.61 0.37 9.65 -1.86 -2.76 114.38 123.82 1wfs h ARG 130 Ca -0.43 -0.13 -0.10 0.00 -1.10 0.00 0.00 59.98 58.23 1wfs h ARG 130 Cb 1.16 0.02 -0.21 0.00 -1.39 0.00 0.00 29.97 29.56 1wfs h ARG 130 CO 0.74 0.76 -0.11 -0.08 2.80 0.00 0.00 179.97 184.08 1wfs s THR 131 N -3.63 0.02 0.29 0.20 -1.32 -1.26 -3.36 115.64 106.59 1wfs s THR 131 Ca -0.03 -0.20 0.03 0.00 -1.21 0.00 0.00 61.69 60.28 1wfs s THR 131 Cb 0.12 -0.74 0.30 0.00 -1.51 0.00 0.00 72.50 70.68 1wfs s THR 131 CO 0.79 -0.11 1.66 0.71 -2.21 0.00 0.00 174.62 175.46 1wfs h THR 132 N 3.79 0.35 -1.61 5.08 1.35 -1.88 0.32 112.91 120.31 1wfs h THR 132 Ca -0.28 -0.09 0.50 0.00 -0.55 0.00 0.00 66.41 65.99 1wfs h THR 132 Cb 1.17 0.07 -0.10 0.00 -1.73 0.00 0.00 68.15 67.56 1wfs h THR 132 CO 0.34 0.05 1.11 0.44 -0.25 0.00 0.00 175.52 177.20 1wfs h ASP 133 N 0.26 0.11 -0.12 5.36 5.19 -1.96 0.73 116.42 125.99 1wfs h ASP 133 Ca 0.56 0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 57.04 1wfs h ASP 133 Cb 1.13 0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.71 1wfs h ASP 133 CO -0.62 -0.10 0.04 -0.78 -3.12 0.00 0.00 179.24 174.66 1wfs h ASP 134 N 0.03 0.17 -0.19 6.45 3.58 -0.79 -3.39 116.42 122.28 1wfs h ASP 134 Ca 0.86 -0.19 -0.13 0.00 0.42 0.00 0.00 57.03 58.00 1wfs h ASP 134 Cb 3.12 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 44.08 1wfs h ASP 134 CO -0.22 0.31 0.76 -0.11 -2.88 0.00 0.00 179.24 177.10 1wfs n LEU 135 N -4.89 0.46 -4.18 2.28 7.94 0.25 -4.69 117.00 114.18 1wfs n LEU 135 Ca -0.05 -1.23 -0.20 0.00 -1.11 0.00 0.00 56.01 53.41 1wfs n LEU 135 Cb 0.13 -1.23 -0.13 0.00 0.53 0.00 0.00 43.42 42.72 1wfs n LEU 135 CO 0.34 -2.25 -0.47 0.42 -1.11 0.00 0.00 177.39 174.32 1wfs s THR 136 N 9.20 1.23 0.32 1.96 -4.23 -1.26 -4.65 115.64 118.21 1wfs s THR 136 Ca 1.02 -1.18 0.07 0.00 -1.18 0.00 0.00 61.69 60.42 1wfs s THR 136 Cb -0.37 -1.13 0.36 0.00 1.34 0.00 0.00 72.50 72.70 1wfs s THR 136 CO 0.26 -0.06 1.60 -0.08 -0.54 0.00 0.00 174.62 175.80 1wfs h GLU 137 N 4.61 0.08 0.28 3.99 4.81 -1.89 0.36 114.58 126.82 1wfs h GLU 137 Ca -0.40 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.81 1wfs h GLU 137 Cb 1.18 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1wfs h GLU 137 CO 0.42 0.05 -0.13 1.15 -0.73 0.00 0.00 179.01 179.77 1wfs h THR 138 N 0.08 0.00 -1.80 0.32 2.02 -1.95 -1.53 112.91 110.05 1wfs h THR 138 Ca 0.65 -0.33 0.54 0.00 0.77 0.00 0.00 66.41 68.04 1wfs h THR 138 Cb 1.46 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.77 1wfs h THR 138 CO -0.79 0.00 1.27 -0.25 0.37 0.00 0.00 175.52 176.12 1wfs h TRP 139 N -0.70 0.12 0.01 3.16 7.01 -1.63 0.26 115.95 124.17 1wfs h TRP 139 Ca -0.04 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 60.97 1wfs h TRP 139 Cb 0.29 -0.03 0.00 0.00 -2.10 0.00 0.00 29.16 27.32 1wfs h TRP 139 CO 0.04 -0.06 -0.00 1.25 -2.79 0.00 0.00 178.44 176.88 1wfs h LEU 140 N 0.01 -0.01 -1.49 0.65 5.85 -0.95 -3.28 115.31 116.08 1wfs h LEU 140 Ca 0.90 0.00 0.05 0.00 0.84 0.00 0.00 57.88 59.67 1wfs h LEU 140 Cb 3.46 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 44.49 1wfs h LEU 140 CO -0.11 0.22 0.57 0.11 -0.34 0.00 0.00 178.44 178.90 1wfs h LYS 141 N -0.47 0.00 0.62 1.25 1.57 -0.10 -1.32 116.57 118.13 1wfs h LYS 141 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1wfs h LYS 141 Cb 0.01 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.32 1wfs h LYS 141 CO 0.00 0.00 -0.30 0.93 -0.57 0.00 0.00 179.45 179.51 1wfs h GLU 142 N 0.00 -0.81 -0.77 3.15 5.08 -0.65 0.11 114.58 120.69 1wfs h GLU 142 Ca 0.08 0.06 0.12 0.00 -1.00 0.00 0.00 59.36 58.62 1wfs h GLU 142 Cb 1.23 0.18 -0.08 0.00 0.50 0.00 0.00 28.75 30.58 1wfs h GLU 142 CO -0.00 -0.54 0.37 0.87 -1.00 0.00 0.00 179.01 178.71 1wfs h LYS 143 N -1.11 0.56 -0.27 2.33 1.79 -1.31 -1.80 116.57 116.76 1wfs h LYS 143 Ca -0.09 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.32 1wfs h LYS 143 Cb 0.64 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 1wfs h LYS 143 CO 0.14 0.37 0.05 -0.07 -1.08 0.00 0.00 179.45 178.87 1wfs h LEU 144 N 0.58 0.42 0.00 2.94 3.38 -1.52 -2.95 115.31 118.16 1wfs h LEU 144 Ca 0.40 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1wfs h LEU 144 Cb 0.51 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1wfs h LEU 144 CO -0.33 0.56 0.00 0.00 0.09 0.00 0.00 178.44 178.76 1wfs n ALA 145 N -2.31 0.00 -1.77 1.53 0.00 0.37 -4.58 120.51 113.75 1wfs n ALA 145 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.38 1wfs n ALA 145 Cb 0.19 0.28 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 1wfs n ALA 145 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wfs n SER 146 N -1.78 -0.50 0.00 0.00 2.88 -1.22 -5.10 113.62 107.91 1wfs n SER 146 Ca 0.00 -1.00 0.00 0.00 -1.33 0.00 0.00 58.87 56.54 1wfs n SER 146 Cb 0.00 0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 1wfs n SER 146 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfs n GLY 147 N -0.02 2.72 0.00 0.46 0.00 -1.11 -4.33 105.19 102.90 1wfs n GLY 147 Ca -0.14 -1.73 0.03 0.00 0.00 0.00 0.00 46.02 44.18 1wfs n GLY 147 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wfs n PRO 148 N 0.71 0.49 0.02 1.61 -0.04 -1.26 -3.22 135.00 133.31 1wfs n PRO 148 Ca 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.45 1wfs n PRO 148 Cb 0.00 -1.17 -0.00 0.00 -0.04 0.00 0.00 33.50 32.29 1wfs n PRO 148 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfs n SER 149 N -0.67 1.09 -1.86 3.54 2.88 -1.26 -4.74 113.62 112.60 1wfs n SER 149 Ca 0.04 0.15 -0.11 0.00 -1.33 0.00 0.00 58.87 57.62 1wfs n SER 149 Cb 0.02 -0.37 -0.05 0.00 -0.75 0.00 0.00 64.21 63.06 1wfs n SER 149 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wfs n SER 150 N -3.51 5.70 -0.56 -3.46 2.88 -1.23 -5.15 113.62 108.28 1wfs n SER 150 Ca -0.02 -2.67 0.07 0.00 -1.33 0.00 0.00 58.87 54.91 1wfs n SER 150 Cb 0.08 -1.21 0.06 0.00 -0.75 0.00 0.00 64.21 62.39 1wfs n SER 150 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42