#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 -5.23 -0.18 1.61 7.64 -1.26 -4.83 113.62 111.37 1wfs n SER 2 Ca 0.00 -0.11 -0.05 0.00 1.01 0.00 0.00 58.87 59.72 1wfs n SER 2 Cb 0.00 -1.49 0.05 0.00 -1.01 0.00 0.00 64.21 61.76 1wfs n SER 2 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1wfs h SER 3 N 2.11 0.49 -2.78 6.43 0.87 -2.04 -3.49 113.55 115.15 1wfs h SER 3 Ca -0.49 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 1wfs h SER 3 Cb 1.30 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1wfs h SER 3 CO 0.20 0.34 0.00 0.61 -0.53 0.00 0.00 176.83 177.45 1wfs n GLY 4 N -1.25 -2.62 0.37 5.77 0.00 -1.26 -4.98 105.19 101.21 1wfs n GLY 4 Ca 0.05 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 1wfs n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1wfs h SER 5 N 0.00 -0.78 -2.18 1.61 0.02 -2.04 -3.49 113.55 106.69 1wfs h SER 5 Ca 0.00 0.03 0.25 0.00 -0.84 0.00 0.00 61.79 61.23 1wfs h SER 5 Cb 0.00 0.20 -0.07 0.00 0.14 0.00 0.00 62.40 62.67 1wfs h SER 5 CO 0.00 -0.53 -0.39 -0.24 -1.14 0.00 0.00 176.83 174.53 1wfs n SER 6 N -4.64 -5.58 -4.42 3.07 2.88 -1.26 -4.39 113.62 99.27 1wfs n SER 6 Ca -0.11 0.43 -0.47 0.00 -1.33 0.00 0.00 58.87 57.39 1wfs n SER 6 Cb 0.36 -3.13 -0.14 0.00 -0.75 0.00 0.00 64.21 60.55 1wfs n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfs n GLY 7 N -3.04 -0.35 3.32 0.46 0.00 -1.26 -4.83 105.19 99.49 1wfs n GLY 7 Ca -0.00 1.13 -0.45 0.00 0.00 0.00 0.00 46.02 46.70 1wfs n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfs s SER 8 N 8.10 7.06 -0.34 1.61 0.01 -1.26 -4.82 113.70 124.06 1wfs s SER 8 Ca 1.30 -3.31 -0.07 0.00 1.31 0.00 0.00 55.95 55.18 1wfs s SER 8 Cb -1.30 -2.19 0.20 0.00 0.21 0.00 0.00 66.02 62.94 1wfs s SER 8 CO 0.54 -0.37 1.07 -0.62 0.41 0.00 0.00 173.24 174.27 1wfs s ASP 9 N 1.51 -0.33 0.55 2.44 -1.08 -1.26 -5.15 116.67 113.35 1wfs s ASP 9 Ca 0.26 -0.31 0.00 0.00 -0.52 0.00 0.00 52.55 51.99 1wfs s ASP 9 Cb -0.10 0.43 0.00 0.00 -1.46 0.00 0.00 42.92 41.79 1wfs s ASP 9 CO -0.08 -0.02 0.00 -0.24 0.52 0.00 0.00 175.17 175.34 1wfs n SER 10 N 3.02 -6.95 -2.38 -0.34 2.88 -1.26 -5.05 113.62 103.53 1wfs n SER 10 Ca 0.09 1.33 -0.12 0.00 -1.33 0.00 0.00 58.87 58.84 1wfs n SER 10 Cb 0.64 -4.62 -0.05 0.00 -0.75 0.00 0.00 64.21 59.43 1wfs n SER 10 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1wfs n LEU 11 N -4.08 0.00 -1.88 2.46 4.77 -1.26 -5.04 117.00 111.97 1wfs n LEU 11 Ca -0.08 -1.97 -0.17 0.00 -0.03 0.00 0.00 56.01 53.76 1wfs n LEU 11 Cb 0.59 1.12 0.05 0.00 -2.33 0.00 0.00 43.42 42.86 1wfs n LEU 11 CO 0.03 -0.34 1.18 0.52 -1.33 0.00 0.00 177.39 177.45 1wfs n VAL 12 N -0.39 2.72 -1.21 4.08 0.31 -1.26 -4.94 118.33 117.63 1wfs n VAL 12 Ca 0.04 -1.63 -0.26 0.00 -0.01 0.00 0.00 64.34 62.48 1wfs n VAL 12 Cb 0.38 -1.20 -0.15 0.00 -0.91 0.00 0.00 33.84 31.96 1wfs n VAL 12 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1wfs n VAL 13 N 0.10 0.00 -2.20 2.52 0.31 -1.26 -4.72 118.33 113.07 1wfs n VAL 13 Ca 0.33 -0.19 -0.16 0.00 -0.01 0.00 0.00 64.34 64.31 1wfs n VAL 13 Cb 0.70 -0.22 0.09 0.00 -0.91 0.00 0.00 33.84 33.50 1wfs n VAL 13 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wfs s GLU 15 N -4.36 2.34 -0.67 0.00 -1.05 -1.09 -4.92 118.70 108.95 1wfs s GLU 15 Ca 0.44 -1.47 -0.21 0.00 -0.15 0.00 0.00 54.97 53.59 1wfs s GLU 15 Cb -0.02 -2.17 0.09 0.00 -0.44 0.00 0.00 34.13 31.59 1wfs s GLU 15 CO 0.30 0.26 0.90 0.54 0.95 0.00 0.00 175.26 178.22 1wfs s VAL 16 N -2.36 4.53 0.15 1.83 0.11 -1.26 -0.35 120.40 123.04 1wfs s VAL 16 Ca 0.34 -0.71 -0.20 0.00 -2.93 0.00 0.00 61.98 58.48 1wfs s VAL 16 Cb -0.05 -4.64 -0.12 0.00 -1.53 0.00 0.00 36.38 30.04 1wfs s VAL 16 CO 0.21 -1.36 0.37 -0.67 -3.33 0.00 0.00 175.10 170.32 1wfs n ASP 17 N 7.13 -0.92 0.15 3.54 -0.08 -0.78 -4.64 116.55 120.96 1wfs n ASP 17 Ca -0.02 0.82 0.00 0.00 -1.51 0.00 0.00 54.79 54.07 1wfs n ASP 17 Cb 0.45 -0.69 0.25 0.00 2.34 0.00 0.00 41.12 43.48 1wfs n ASP 17 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1wfs h PRO 18 N 0.72 0.04 0.00 -0.67 0.13 -1.95 -1.10 132.00 129.18 1wfs h PRO 18 Ca -0.20 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 64.82 1wfs h PRO 18 Cb 1.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 1wfs h PRO 18 CO 0.41 0.52 -0.42 1.05 -0.23 0.00 0.00 178.00 179.33 1wfs h GLU 19 N 0.03 0.00 0.06 0.86 -0.00 -1.94 -3.29 114.58 110.30 1wfs h GLU 19 Ca -0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 59.36 59.12 1wfs h GLU 19 Cb 0.88 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.61 1wfs h GLU 19 CO 0.07 0.42 -1.24 1.25 -0.00 0.00 0.00 179.01 179.51 1wfs h LEU 20 N 0.00 0.19 -0.78 3.06 6.46 -1.81 -3.35 115.31 119.08 1wfs h LEU 20 Ca -0.00 -0.75 0.21 0.00 -0.12 0.00 0.00 57.88 57.22 1wfs h LEU 20 Cb 0.99 -0.06 -0.15 0.00 -0.73 0.00 0.00 40.66 40.71 1wfs h LEU 20 CO 0.05 1.52 -0.01 1.17 -0.62 0.00 0.00 178.44 180.55 1wfs n LYS 21 N -4.17 -0.06 -0.09 1.25 4.81 -0.43 0.17 118.16 119.64 1wfs n LYS 21 Ca -0.27 1.17 -0.10 0.00 -0.87 0.00 0.00 58.31 58.24 1wfs n LYS 21 Cb 0.78 -1.84 -0.03 0.00 0.02 0.00 0.00 35.03 33.96 1wfs n LYS 21 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1wfs h GLU 22 N 0.00 0.44 -0.75 1.64 5.08 -1.73 -2.72 114.58 116.54 1wfs h GLU 22 Ca 0.46 -0.10 0.17 0.00 -1.00 0.00 0.00 59.36 58.89 1wfs h GLU 22 Cb 0.91 -0.06 -0.13 0.00 0.50 0.00 0.00 28.75 29.97 1wfs h GLU 22 CO -0.74 0.50 -0.03 1.15 -1.00 0.00 0.00 179.01 178.90 1wfs h THR 23 N 0.29 0.33 0.19 1.13 2.02 0.16 0.36 112.91 117.39 1wfs h THR 23 Ca 0.09 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 1wfs h THR 23 Cb 0.25 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 1wfs h THR 23 CO -0.00 0.02 -0.09 -0.07 0.37 0.00 0.00 175.52 175.74 1wfs h LEU 24 N 0.08 -0.21 -1.79 2.58 3.38 -1.31 0.24 115.31 118.27 1wfs h LEU 24 Ca 0.40 -0.12 0.09 0.00 0.09 0.00 0.00 57.88 58.34 1wfs h LEU 24 Cb 0.69 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1wfs h LEU 24 CO -0.68 -0.01 0.33 -0.09 0.09 0.00 0.00 178.44 178.08 1wfs h ARG 25 N -0.42 0.23 0.12 1.13 2.43 -0.88 -1.88 114.38 115.11 1wfs h ARG 25 Ca -0.03 -0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 58.92 1wfs h ARG 25 Cb 0.32 -0.05 0.02 0.00 -0.42 0.00 0.00 29.97 29.84 1wfs h ARG 25 CO 0.04 0.15 -0.89 0.87 -1.51 0.00 0.00 179.97 178.63 1wfs h LYS 26 N 0.24 0.39 -0.96 0.20 1.79 -0.03 -3.11 116.57 115.10 1wfs h LYS 26 Ca 0.22 -0.58 0.14 0.00 -2.18 0.00 0.00 60.65 58.25 1wfs h LYS 26 Cb 0.56 0.20 -0.08 0.00 -1.58 0.00 0.00 32.23 31.33 1wfs h LYS 26 CO -0.04 1.25 0.61 0.35 -1.08 0.00 0.00 179.45 180.54 1wfs h PHE 27 N -0.18 0.99 -0.33 -1.35 3.57 0.23 1.88 116.94 121.76 1wfs h PHE 27 Ca -0.15 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.23 1wfs h PHE 27 Cb 1.66 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 40.08 1wfs h PHE 27 CO 0.17 0.36 -0.40 0.00 -2.23 0.00 0.00 178.31 176.21 1wfs h ARG 28 N 0.83 0.79 -0.76 1.11 3.08 -1.47 -3.23 114.38 114.73 1wfs h ARG 28 Ca 0.49 -0.42 -0.55 0.00 0.07 0.00 0.00 59.98 59.57 1wfs h ARG 28 Cb 0.64 0.01 -0.40 0.00 0.08 0.00 0.00 29.97 30.31 1wfs h ARG 28 CO -0.25 1.05 -0.60 1.19 -1.07 0.00 0.00 179.97 180.29 1wfs n PHE 29 N -4.04 2.74 -1.48 3.04 3.72 -0.27 -5.06 117.46 116.11 1wfs n PHE 29 Ca -0.02 -2.30 -0.31 0.00 -0.05 0.00 0.00 57.45 54.77 1wfs n PHE 29 Cb 0.54 -0.48 0.08 0.00 -0.94 0.00 0.00 39.48 38.68 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 -3.62 2.46 -0.16 -1.08 1.70 0.62 -4.91 118.95 113.97 1wfs s ARG 30 Ca 0.52 0.90 0.01 0.00 -0.47 0.00 0.00 55.73 56.69 1wfs s ARG 30 Cb 0.42 -1.94 0.22 0.00 -0.57 0.00 0.00 34.95 33.08 1wfs s ARG 30 CO 0.03 -1.42 1.41 1.63 -1.08 0.00 0.00 175.30 175.87 1wfs n LYS 31 N -3.34 1.44 -4.07 3.89 4.76 -1.26 -4.87 118.16 114.71 1wfs n LYS 31 Ca 0.08 -1.03 -0.26 0.00 -2.87 0.00 0.00 58.31 54.22 1wfs n LYS 31 Cb 0.54 -1.40 -0.04 0.00 -1.84 0.00 0.00 35.03 32.28 1wfs n LYS 31 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1wfs s GLU 32 N -1.14 2.26 -0.08 1.97 0.41 -1.26 -5.07 118.70 115.79 1wfs s GLU 32 Ca 0.20 -1.96 0.17 0.00 -0.41 0.00 0.00 54.97 52.96 1wfs s GLU 32 Cb 0.16 -2.00 0.32 0.00 -1.78 0.00 0.00 34.13 30.83 1wfs s GLU 32 CO 0.03 -0.36 1.15 0.25 -0.49 0.00 0.00 175.26 175.85 1wfs n THR 33 N -1.48 0.22 -4.38 3.63 -2.24 -1.26 -5.12 114.28 103.65 1wfs n THR 33 Ca -0.03 -1.05 -0.22 0.00 -2.27 0.00 0.00 64.05 60.48 1wfs n THR 33 Cb 0.65 0.91 -0.08 0.00 -2.10 0.00 0.00 70.33 69.71 1wfs n THR 33 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1wfs s ASN 34 N -1.93 2.09 0.33 3.42 2.47 -1.26 -5.11 114.94 114.95 1wfs s ASN 34 Ca 0.20 -1.71 -0.26 0.00 0.42 0.00 0.00 52.86 51.51 1wfs s ASN 34 Cb 0.27 0.54 -0.10 0.00 -1.45 0.00 0.00 41.25 40.52 1wfs s ASN 34 CO -0.09 -1.00 0.98 0.20 -3.72 0.00 0.00 177.10 173.46 1wfs s ASN 35 N -3.47 7.25 0.05 -4.21 0.01 -1.26 -4.94 114.94 108.38 1wfs s ASN 35 Ca 0.33 1.92 -0.23 0.00 -0.71 0.00 0.00 52.86 54.18 1wfs s ASN 35 Cb 0.02 -2.59 0.05 0.00 0.41 0.00 0.00 41.25 39.15 1wfs s ASN 35 CO 0.21 -0.14 0.53 0.00 -1.51 0.00 0.00 177.10 176.20 1wfs s ALA 36 N -1.55 -1.35 0.11 0.60 0.00 -1.13 -0.79 121.76 117.64 1wfs s ALA 36 Ca 0.50 0.61 0.06 0.00 0.00 0.00 0.00 51.96 53.14 1wfs s ALA 36 Cb -0.21 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 1wfs s ALA 36 CO 0.27 -0.52 -0.15 0.00 0.00 0.00 0.00 175.76 175.36 1wfs s ALA 37 N -2.48 1.49 -0.17 0.00 0.00 0.40 0.53 121.76 121.52 1wfs s ALA 37 Ca -0.05 -1.24 -0.03 0.00 0.00 0.00 0.00 51.96 50.64 1wfs s ALA 37 Cb -0.01 -0.10 0.06 0.00 0.00 0.00 0.00 23.12 23.06 1wfs s ALA 37 CO -0.02 0.15 0.04 0.42 0.00 0.00 0.00 175.76 176.36 1wfs s ILE 38 N -1.84 0.36 -0.44 0.00 1.01 -0.23 -1.89 121.20 118.17 1wfs s ILE 38 Ca 0.07 -0.37 -0.19 0.00 0.00 0.00 0.00 60.65 60.16 1wfs s ILE 38 Cb -0.07 -0.86 0.03 0.00 0.01 0.00 0.00 42.46 41.58 1wfs s ILE 38 CO 0.03 -0.16 0.53 -0.63 0.00 0.00 0.00 174.94 174.72 1wfs s ILE 39 N 1.94 4.97 0.08 2.92 1.01 -0.60 -0.41 121.20 131.11 1wfs s ILE 39 Ca 0.01 -0.21 0.04 0.00 0.00 0.00 0.00 60.65 60.48 1wfs s ILE 39 Cb -0.16 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 1wfs s ILE 39 CO -0.08 -0.54 0.02 -0.04 0.00 0.00 0.00 174.94 174.30 1wfs s MET 40 N 2.44 2.64 0.43 2.79 -1.94 0.20 -1.21 119.30 124.65 1wfs s MET 40 Ca 0.16 -0.78 0.03 0.00 -1.71 0.00 0.00 55.69 53.39 1wfs s MET 40 Cb -0.16 -2.59 -0.03 0.00 2.01 0.00 0.00 34.83 34.05 1wfs s MET 40 CO 0.15 0.56 0.07 -1.59 -0.01 0.00 0.00 175.02 174.20 1wfs s LYS 41 N -2.23 1.98 -0.26 2.03 -2.85 -0.56 -0.34 119.74 117.50 1wfs s LYS 41 Ca 0.26 -2.21 0.01 0.00 -1.00 0.00 0.00 55.97 53.03 1wfs s LYS 41 Cb -0.12 -1.00 0.07 0.00 -2.06 0.00 0.00 37.83 34.72 1wfs s LYS 41 CO 0.18 -0.37 -0.02 0.54 0.10 0.00 0.00 175.35 175.78 1wfs s VAL 42 N -3.08 1.55 -0.07 1.79 0.11 -1.26 0.38 120.40 119.82 1wfs s VAL 42 Ca 0.20 -1.42 -0.30 0.00 -2.93 0.00 0.00 61.98 57.54 1wfs s VAL 42 Cb 0.04 -1.92 -0.06 0.00 -1.53 0.00 0.00 36.38 32.91 1wfs s VAL 42 CO 0.11 -0.26 1.71 -1.81 -3.33 0.00 0.00 175.10 171.52 1wfs s ASP 43 N 1.35 6.56 0.51 3.54 1.11 -0.30 -4.82 116.67 124.62 1wfs s ASP 43 Ca -0.01 2.19 0.29 0.00 0.18 0.00 0.00 52.55 55.20 1wfs s ASP 43 Cb -0.19 -2.53 1.34 0.00 1.07 0.00 0.00 42.92 42.61 1wfs s ASP 43 CO -0.09 -1.03 2.00 0.50 1.18 0.00 0.00 175.17 177.73 1wfs h LYS 44 N 10.04 0.00 -0.13 8.23 3.11 -1.96 1.25 116.57 137.12 1wfs h LYS 44 Ca -0.40 0.00 -0.19 0.00 -2.81 0.00 0.00 60.65 57.26 1wfs h LYS 44 Cb 1.18 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.41 1wfs h LYS 44 CO 0.96 0.12 -0.69 0.22 -2.81 0.00 0.00 179.45 177.26 1wfs h ASP 45 N 0.00 0.63 -0.09 4.20 1.82 -1.97 -3.24 116.42 117.76 1wfs h ASP 45 Ca -0.00 -0.39 0.00 0.00 -0.39 0.00 0.00 57.03 56.25 1wfs h ASP 45 Cb 0.47 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.30 1wfs h ASP 45 CO 0.02 1.13 0.00 0.54 -1.61 0.00 0.00 179.24 179.32 1wfs n ARG 46 N -3.89 1.17 -4.28 0.28 1.74 -1.00 -4.99 116.66 105.67 1wfs n ARG 46 Ca -0.05 -1.42 -0.31 0.00 -0.77 0.00 0.00 57.85 55.31 1wfs n ARG 46 Cb 0.69 -1.25 -0.09 0.00 -1.02 0.00 0.00 32.46 30.79 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 0.67 -1.13 -3.89 5.56 1.13 0.43 -4.88 117.38 115.26 1wfs n GLN 47 Ca 0.08 0.12 -0.10 0.00 -1.94 0.00 0.00 57.00 55.16 1wfs n GLN 47 Cb 0.34 -3.65 -0.09 0.00 0.11 0.00 0.00 30.24 26.95 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 -7.32 0.62 -0.34 -1.09 0.23 -1.09 -2.67 119.30 107.64 1wfs s MET 48 Ca 0.01 -0.67 -0.24 0.00 -1.03 0.00 0.00 55.69 53.75 1wfs s MET 48 Cb -0.00 0.25 0.01 0.00 -1.53 0.00 0.00 34.83 33.55 1wfs s MET 48 CO 0.99 -0.16 0.83 0.08 -2.03 0.00 0.00 175.02 174.72 1wfs s VAL 49 N -2.48 4.72 -0.03 5.16 1.01 0.53 -1.15 120.40 128.15 1wfs s VAL 49 Ca -0.06 1.12 0.05 0.00 0.00 0.00 0.00 61.98 63.09 1wfs s VAL 49 Cb -0.02 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 1wfs s VAL 49 CO -0.04 -0.37 -0.17 0.68 0.00 0.00 0.00 175.10 175.19 1wfs s VAL 50 N 3.14 1.42 0.53 2.92 -7.23 0.16 -1.87 120.40 119.46 1wfs s VAL 50 Ca 0.34 -0.73 -0.19 0.00 -1.81 0.00 0.00 61.98 59.58 1wfs s VAL 50 Cb -0.13 -1.21 -0.10 0.00 0.56 0.00 0.00 36.38 35.50 1wfs s VAL 50 CO 0.15 0.41 0.51 -0.11 -0.31 0.00 0.00 175.10 175.75 1wfs n LEU 51 N 2.94 0.41 0.00 1.32 7.94 -1.26 -1.50 117.00 126.85 1wfs n LEU 51 Ca -0.17 0.78 0.00 0.00 -1.11 0.00 0.00 56.01 55.52 1wfs n LEU 51 Cb 0.53 -1.15 0.00 0.00 0.53 0.00 0.00 43.42 43.33 1wfs n LEU 51 CO 0.25 -3.05 -0.48 1.21 -1.11 0.00 0.00 177.39 174.20 1wfs n GLU 52 N 0.20 0.00 -3.90 1.96 4.07 -0.35 -4.67 120.64 117.95 1wfs n GLU 52 Ca 0.11 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 57.12 1wfs n GLU 52 Cb 0.45 -0.49 -0.05 0.00 -0.06 0.00 0.00 31.44 31.30 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 -4.99 -0.14 -0.20 4.31 1.01 -0.42 -5.03 116.67 111.21 1wfs s ASP 53 Ca 0.00 -0.76 -0.07 0.00 0.71 0.00 0.00 52.55 52.44 1wfs s ASP 53 Cb 0.00 0.57 0.09 0.00 1.01 0.00 0.00 42.92 44.60 1wfs s ASP 53 CO 0.00 -1.09 0.42 -1.61 0.21 0.00 0.00 175.17 173.10 1wfs s GLU 54 N -3.96 0.33 -0.10 8.23 2.02 -1.26 -1.56 118.70 122.39 1wfs s GLU 54 Ca 0.17 1.02 0.02 0.00 0.02 0.00 0.00 54.97 56.19 1wfs s GLU 54 Cb -0.01 0.30 -0.01 0.00 0.10 0.00 0.00 34.13 34.51 1wfs s GLU 54 CO 0.04 -0.27 -0.17 -0.51 0.02 0.00 0.00 175.26 174.36 1wfs s LEU 55 N 2.62 2.50 0.29 1.80 1.43 -0.79 -5.01 118.68 121.51 1wfs s LEU 55 Ca -0.01 -0.39 0.09 0.00 -1.03 0.00 0.00 54.13 52.79 1wfs s LEU 55 Cb -0.12 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 1wfs s LEU 55 CO -0.13 0.20 0.08 -1.10 0.23 0.00 0.00 176.35 175.63 1wfs s GLN 56 N 0.15 2.44 -1.22 1.70 1.11 -1.26 -0.45 119.66 122.12 1wfs s GLN 56 Ca -0.09 -1.39 -0.11 0.00 0.01 0.00 0.00 55.36 53.78 1wfs s GLN 56 Cb -0.15 -2.24 -0.01 0.00 -1.01 0.00 0.00 33.01 29.59 1wfs s GLN 56 CO 0.06 0.29 0.70 0.27 0.01 0.00 0.00 175.29 176.62 1wfs n ASN 57 N -1.03 -3.44 -4.04 5.90 0.23 0.03 -4.97 115.26 107.94 1wfs n ASN 57 Ca -0.06 -0.95 -0.20 0.00 -0.53 0.00 0.00 54.58 52.85 1wfs n ASN 57 Cb 0.59 -3.61 -0.15 0.00 -2.08 0.00 0.00 39.78 34.54 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 -3.61 0.81 0.77 1.53 -1.16 -1.25 -5.06 121.20 113.23 1wfs s ILE 58 Ca 0.27 -0.43 -0.11 0.00 -0.51 0.00 0.00 60.65 59.87 1wfs s ILE 58 Cb -0.09 -0.68 0.07 0.00 0.61 0.00 0.00 42.46 42.37 1wfs s ILE 58 CO 0.85 0.23 1.13 -0.44 -2.81 0.00 0.00 174.94 173.89 1wfs s SER 59 N -0.18 4.71 0.00 4.50 0.01 -1.26 -4.65 113.70 116.83 1wfs s SER 59 Ca 0.03 0.75 0.11 0.00 1.31 0.00 0.00 55.95 58.14 1wfs s SER 59 Cb -0.05 -1.32 0.63 0.00 0.21 0.00 0.00 66.02 65.50 1wfs s SER 59 CO -0.00 -1.75 1.07 -0.81 0.41 0.00 0.00 173.24 172.16 1wfs n PRO 60 N -3.17 0.49 -0.01 12.44 -0.04 -1.26 -1.96 135.00 141.49 1wfs n PRO 60 Ca 0.08 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.60 1wfs n PRO 60 Cb 0.60 -1.34 -0.10 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.84 0.63 0.06 0.54 1.02 -1.26 -3.70 120.64 117.08 1wfs n GLU 61 Ca 0.08 -0.11 -0.22 0.00 -0.02 0.00 0.00 57.16 56.89 1wfs n GLU 61 Cb 0.04 -1.30 -0.15 0.00 -0.02 0.00 0.00 31.44 30.01 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 0.34 0.65 3.49 3.07 -1.73 -3.37 114.58 117.02 1wfs h GLU 62 Ca 0.00 -0.58 -0.02 0.00 -0.50 0.00 0.00 59.36 58.25 1wfs h GLU 62 Cb 0.58 0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.70 1wfs h GLU 62 CO 0.00 1.25 -0.49 1.25 -1.40 0.00 0.00 179.01 179.62 1wfs h LEU 63 N 0.09 -1.30 -0.83 1.33 6.46 -1.78 -2.48 115.31 116.80 1wfs h LEU 63 Ca -0.35 0.09 0.26 0.00 -0.12 0.00 0.00 57.88 57.76 1wfs h LEU 63 Cb 2.08 0.40 -0.15 0.00 -0.73 0.00 0.00 40.66 42.26 1wfs h LEU 63 CO 0.16 -0.70 0.11 1.17 -0.62 0.00 0.00 178.44 178.55 1wfs n LYS 64 N -5.51 -0.06 -0.27 1.25 4.81 -1.26 0.24 118.16 117.36 1wfs n LYS 64 Ca -0.13 1.23 -0.06 0.00 -0.87 0.00 0.00 58.31 58.47 1wfs n LYS 64 Cb 0.48 -2.00 0.05 0.00 0.02 0.00 0.00 35.03 33.58 1wfs n LYS 64 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1wfs h LEU 65 N 0.00 1.02 -1.50 3.14 4.07 -1.62 -2.48 115.31 117.94 1wfs h LEU 65 Ca 0.55 -0.17 0.04 0.00 0.08 0.00 0.00 57.88 58.37 1wfs h LEU 65 Cb 1.22 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 42.67 1wfs h LEU 65 CO -0.75 0.92 0.38 -0.33 -1.08 0.00 0.00 178.44 177.57 1wfs h GLU 66 N 1.06 0.62 -7.16 1.13 4.39 0.35 -3.43 114.58 111.55 1wfs h GLU 66 Ca 0.25 -0.04 -0.52 0.00 0.34 0.00 0.00 59.36 59.39 1wfs h GLU 66 Cb 0.22 -0.14 0.11 0.00 -0.10 0.00 0.00 28.75 28.84 1wfs h GLU 66 CO -0.02 0.41 0.40 -0.51 -1.16 0.00 0.00 179.01 178.14 1wfs s LEU 67 N -9.57 3.49 0.00 1.33 1.43 -0.78 -5.04 118.68 109.54 1wfs s LEU 67 Ca -0.09 2.17 0.00 0.00 -1.03 0.00 0.00 54.13 55.18 1wfs s LEU 67 Cb 0.18 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.83 1wfs s LEU 67 CO 0.75 -1.68 0.00 -0.81 0.23 0.00 0.00 176.35 174.84 1wfs n PRO 68 N -2.14 0.05 -0.00 1.29 -0.04 -1.26 -5.00 135.00 127.90 1wfs n PRO 68 Ca 0.12 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.60 1wfs n PRO 68 Cb 0.51 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.93 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 -0.71 0.33 -2.70 0.54 0.28 -1.26 -4.80 120.64 112.33 1wfs n GLU 69 Ca 0.00 -0.05 -0.03 0.00 -0.16 0.00 0.00 57.16 56.92 1wfs n GLU 69 Cb 0.00 -1.13 0.11 0.00 1.43 0.00 0.00 31.44 31.85 1wfs n GLU 69 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 1wfs n ARG 70 N -1.72 1.37 -3.77 3.44 -4.01 -1.26 -4.46 116.66 106.24 1wfs n ARG 70 Ca -0.01 -1.81 -0.28 0.00 -1.04 0.00 0.00 57.85 54.71 1wfs n ARG 70 Cb 0.17 -0.08 -0.16 0.00 -3.04 0.00 0.00 32.46 29.35 1wfs n ARG 70 CO 0.00 0.00 0.00 -0.65 -3.04 0.00 0.00 177.63 173.94 1wfs s GLN 71 N -0.63 0.83 0.10 2.89 -0.21 -1.26 -4.10 119.66 117.28 1wfs s GLN 71 Ca 0.16 -0.48 -0.31 0.00 0.02 0.00 0.00 55.36 54.75 1wfs s GLN 71 Cb 0.42 -2.12 -0.07 0.00 1.00 0.00 0.00 33.01 32.24 1wfs s GLN 71 CO -0.10 -0.61 1.38 -1.25 -2.12 0.00 0.00 175.29 172.59 1wfs s PRO 72 N 1.79 4.32 0.25 2.91 0.04 -1.26 -4.70 135.00 138.35 1wfs s PRO 72 Ca -0.01 2.04 -0.21 0.00 0.04 0.00 0.00 61.00 62.85 1wfs s PRO 72 Cb -0.17 -3.30 0.03 0.00 0.04 0.00 0.00 34.50 31.10 1wfs s PRO 72 CO -0.08 -0.44 0.69 -0.98 0.04 0.00 0.00 177.00 176.23 1wfs s ARG 73 N 1.26 1.66 -0.03 4.56 1.70 -0.63 -4.91 118.95 122.57 1wfs s ARG 73 Ca 0.64 -0.88 -0.11 0.00 -0.47 0.00 0.00 55.73 54.92 1wfs s ARG 73 Cb -0.36 0.60 -0.05 0.00 -0.57 0.00 0.00 34.95 34.58 1wfs s ARG 73 CO 0.30 -0.75 0.31 -0.06 -1.08 0.00 0.00 175.30 174.01 1wfs s PHE 74 N -3.88 3.66 -0.08 5.89 0.08 0.54 -1.35 117.98 122.84 1wfs s PHE 74 Ca 0.09 0.79 -0.03 0.00 0.12 0.00 0.00 56.93 57.89 1wfs s PHE 74 Cb -0.05 -2.14 0.04 0.00 -0.57 0.00 0.00 43.02 40.31 1wfs s PHE 74 CO 0.02 0.66 0.12 0.08 -0.10 0.00 0.00 175.22 176.00 1wfs s VAL 75 N -1.12 -0.19 -0.48 -0.44 1.01 -0.13 0.62 120.40 119.67 1wfs s VAL 75 Ca 0.22 0.34 -0.10 0.00 0.00 0.00 0.00 61.98 62.45 1wfs s VAL 75 Cb -0.15 -0.27 0.12 0.00 0.00 0.00 0.00 36.38 36.09 1wfs s VAL 75 CO 0.11 0.12 0.36 -0.69 0.00 0.00 0.00 175.10 175.01 1wfs s VAL 76 N 2.24 4.28 -0.05 2.92 1.01 0.46 0.11 120.40 131.35 1wfs s VAL 76 Ca 0.04 -1.79 -0.12 0.00 0.00 0.00 0.00 61.98 60.11 1wfs s VAL 76 Cb -0.12 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 1wfs s VAL 76 CO -0.05 -0.79 0.32 -0.47 0.00 0.00 0.00 175.10 174.11 1wfs s TYR 77 N 1.35 3.66 -0.44 5.22 5.04 -1.16 -1.07 117.35 129.95 1wfs s TYR 77 Ca 0.06 0.82 0.00 0.00 -2.44 0.00 0.00 57.07 55.51 1wfs s TYR 77 Cb -0.26 -2.20 0.12 0.00 0.35 0.00 0.00 41.96 39.97 1wfs s TYR 77 CO -0.01 0.62 0.21 0.45 -1.34 0.00 0.00 175.55 175.48 1wfs s SER 78 N -0.88 4.94 0.61 4.32 0.15 0.19 -2.40 113.70 120.63 1wfs s SER 78 Ca 0.20 -2.39 -0.07 0.00 0.70 0.00 0.00 55.95 54.40 1wfs s SER 78 Cb -0.15 -1.74 0.01 0.00 -1.71 0.00 0.00 66.02 62.44 1wfs s SER 78 CO 0.10 -0.41 0.93 -0.47 1.20 0.00 0.00 173.24 174.59 1wfs s TYR 79 N 0.61 3.23 -0.27 3.44 5.04 -1.25 -2.83 117.35 125.31 1wfs s TYR 79 Ca 0.12 0.67 -0.02 0.00 -2.44 0.00 0.00 57.07 55.41 1wfs s TYR 79 Cb -0.22 -2.81 0.04 0.00 0.35 0.00 0.00 41.96 39.32 1wfs s TYR 79 CO -0.05 -0.91 -0.03 0.21 -1.34 0.00 0.00 175.55 173.43 1wfs s LYS 80 N -5.05 2.63 -0.13 4.97 2.20 -1.26 -2.63 119.74 120.47 1wfs s LYS 80 Ca 0.55 -1.12 -0.04 0.00 -0.36 0.00 0.00 55.97 55.00 1wfs s LYS 80 Cb -0.11 -3.07 -0.03 0.00 -1.51 0.00 0.00 37.83 33.11 1wfs s LYS 80 CO 0.46 -0.51 0.00 -0.47 -0.36 0.00 0.00 175.35 174.47 1wfs s TYR 81 N 1.28 3.14 0.19 4.03 6.14 0.80 -4.98 117.35 127.96 1wfs s TYR 81 Ca -0.03 0.02 -0.02 0.00 0.64 0.00 0.00 57.07 57.68 1wfs s TYR 81 Cb -0.18 -1.90 -0.05 0.00 0.42 0.00 0.00 41.96 40.25 1wfs s TYR 81 CO -0.03 0.26 0.41 0.08 0.64 0.00 0.00 175.55 176.90 1wfs s VAL 82 N -0.25 5.17 0.00 3.14 1.01 -1.26 -1.06 120.40 127.15 1wfs s VAL 82 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1wfs s VAL 82 Cb -0.12 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1wfs s VAL 82 CO 0.02 -0.13 0.00 1.41 0.00 0.00 0.00 175.10 176.40 1wfs n HIS 83 N -0.47 0.00 0.00 5.22 8.25 0.17 -4.95 115.22 123.44 1wfs n HIS 83 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1wfs n HIS 83 Cb 0.53 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 1wfs n HIS 83 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1wfs n ASP 84 N 0.00 0.00 0.04 0.41 -0.08 -1.26 -4.93 116.55 110.73 1wfs n ASP 84 Ca 0.00 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.34 1wfs n ASP 84 Cb 0.00 0.01 0.27 0.00 2.34 0.00 0.00 41.12 43.74 1wfs n ASP 84 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1wfs n ASP 85 N -1.83 0.19 0.00 1.67 -0.08 -1.26 -4.73 116.55 110.51 1wfs n ASP 85 Ca 0.00 0.57 0.00 0.00 -1.51 0.00 0.00 54.79 53.85 1wfs n ASP 85 Cb 0.00 -0.60 0.00 0.00 2.34 0.00 0.00 41.12 42.86 1wfs n ASP 85 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wfs n GLY 86 N -0.73 1.21 3.69 0.27 0.00 -1.26 -5.13 105.19 103.24 1wfs n GLY 86 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 2.93 -0.04 1.61 1.81 -1.26 -5.00 118.95 119.00 1wfs s ARG 87 Ca 0.00 -0.48 -0.02 0.00 -1.72 0.00 0.00 55.73 53.52 1wfs s ARG 87 Cb 0.00 -2.76 0.03 0.00 -0.45 0.00 0.00 34.95 31.77 1wfs s ARG 87 CO 0.00 0.67 0.06 0.54 -0.68 0.00 0.00 175.30 175.89 1wfs s VAL 88 N -0.97 -0.10 0.31 3.52 0.11 -1.26 0.44 120.40 122.44 1wfs s VAL 88 Ca 0.16 0.36 0.10 0.00 -2.93 0.00 0.00 61.98 59.67 1wfs s VAL 88 Cb -0.11 -0.14 -0.05 0.00 -1.53 0.00 0.00 36.38 34.54 1wfs s VAL 88 CO 0.06 0.15 -0.08 -0.44 -3.33 0.00 0.00 175.10 171.45 1wfs s SER 89 N 1.84 3.97 -0.58 3.54 0.01 -0.22 -4.95 113.70 117.31 1wfs s SER 89 Ca 0.01 -0.97 -0.06 0.00 1.31 0.00 0.00 55.95 56.23 1wfs s SER 89 Cb -0.12 -0.48 0.15 0.00 0.21 0.00 0.00 66.02 65.78 1wfs s SER 89 CO -0.03 -0.09 0.42 -0.31 0.41 0.00 0.00 173.24 173.65 1wfs s TYR 90 N -2.49 3.49 -0.71 2.43 2.02 -1.26 -0.14 117.35 120.69 1wfs s TYR 90 Ca 0.32 -2.32 -0.26 0.00 -0.37 0.00 0.00 57.07 54.45 1wfs s TYR 90 Cb -0.03 -3.39 -0.03 0.00 -0.40 0.00 0.00 41.96 38.12 1wfs s TYR 90 CO 0.17 -0.93 1.89 -1.25 -1.57 0.00 0.00 175.55 173.86 1wfs s PRO 91 N 0.57 2.60 0.10 -1.71 0.04 -1.08 -4.82 135.00 130.71 1wfs s PRO 91 Ca 0.12 0.31 -0.31 0.00 0.04 0.00 0.00 61.00 61.17 1wfs s PRO 91 Cb -0.21 -4.61 -0.07 0.00 0.04 0.00 0.00 34.50 29.65 1wfs s PRO 91 CO -0.04 -2.94 1.26 -0.51 0.04 0.00 0.00 177.00 174.82 1wfs s LEU 92 N 9.40 4.38 0.25 -3.56 1.02 -1.26 -3.96 118.68 124.95 1wfs s LEU 92 Ca 0.68 2.17 0.04 0.00 0.02 0.00 0.00 54.13 57.04 1wfs s LEU 92 Cb -0.11 -3.59 -0.05 0.00 0.02 0.00 0.00 46.19 42.46 1wfs s LEU 92 CO 0.14 -0.52 -0.01 0.00 0.02 0.00 0.00 176.35 175.98 1wfs s PHE 94 N -3.29 3.40 -0.50 0.00 5.36 -0.66 -3.01 117.98 119.27 1wfs s PHE 94 Ca 0.29 -1.78 -0.20 0.00 -0.96 0.00 0.00 56.93 54.28 1wfs s PHE 94 Cb 0.05 -3.14 0.05 0.00 -0.34 0.00 0.00 43.02 39.65 1wfs s PHE 94 CO 0.10 -0.91 0.66 0.42 -1.46 0.00 0.00 175.22 174.03 1wfs s ILE 95 N 1.36 4.82 -0.46 3.12 1.01 0.29 -1.45 121.20 129.89 1wfs s ILE 95 Ca 0.04 -0.35 -0.23 0.00 0.00 0.00 0.00 60.65 60.11 1wfs s ILE 95 Cb -0.24 -4.32 0.03 0.00 0.01 0.00 0.00 42.46 37.94 1wfs s ILE 95 CO 0.00 -0.82 0.81 0.12 0.00 0.00 0.00 174.94 175.05 1wfs s PHE 96 N 2.79 2.97 -0.66 3.97 5.36 -0.89 -0.96 117.98 130.57 1wfs s PHE 96 Ca 0.17 0.18 -0.27 0.00 -0.96 0.00 0.00 56.93 56.05 1wfs s PHE 96 Cb -0.18 -3.72 0.02 0.00 -0.34 0.00 0.00 43.02 38.80 1wfs s PHE 96 CO 0.13 -1.02 1.32 0.45 -1.46 0.00 0.00 175.22 174.64 1wfs s SER 97 N 2.19 6.17 -0.39 6.13 0.15 -0.46 -2.42 113.70 125.08 1wfs s SER 97 Ca 0.31 -0.13 0.01 0.00 0.70 0.00 0.00 55.95 56.84 1wfs s SER 97 Cb -0.12 -2.55 0.12 0.00 -1.71 0.00 0.00 66.02 61.76 1wfs s SER 97 CO 0.23 -1.76 0.18 -0.55 1.20 0.00 0.00 173.24 172.54 1wfs s SER 98 N 3.94 3.83 0.35 5.45 0.15 -1.02 -1.61 113.70 124.79 1wfs s SER 98 Ca 0.42 -2.24 0.00 0.00 0.70 0.00 0.00 55.95 54.83 1wfs s SER 98 Cb -0.09 -0.99 0.00 0.00 -1.71 0.00 0.00 66.02 63.23 1wfs s SER 98 CO 0.20 -0.33 0.00 -0.81 1.20 0.00 0.00 173.24 173.50 1wfs n PRO 99 N 4.06 0.29 0.00 5.44 -0.04 -1.26 -4.04 135.00 139.44 1wfs n PRO 99 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1wfs n PRO 99 Cb 0.38 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.84 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 -1.22 0.00 1.80 0.52 0.31 -1.26 -4.65 118.33 113.84 1wfs n VAL 100 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1wfs n VAL 100 Cb 0.00 -0.92 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 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 2.87 -0.90 3.84 2.92 0.00 -1.26 -4.82 105.19 107.83 1wfs n GLY 101 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -5.47 3.12 0.10 0.00 1.02 -1.26 -5.00 119.74 112.25 1wfs s LYS 103 Ca 0.70 -0.54 0.18 0.00 0.02 0.00 0.00 55.97 56.33 1wfs s LYS 103 Cb -0.03 -2.87 0.75 0.00 -0.52 0.00 0.00 37.83 35.16 1wfs s LYS 103 CO 0.48 0.61 1.55 -0.35 -0.92 0.00 0.00 175.35 176.72 1wfs n PRO 104 N 0.64 0.07 0.07 -1.68 -0.04 -1.26 -1.96 135.00 130.84 1wfs n PRO 104 Ca -0.09 0.32 -0.15 0.00 -0.04 0.00 0.00 63.50 63.54 1wfs n PRO 104 Cb 0.52 -1.64 -0.07 0.00 -0.04 0.00 0.00 33.50 32.26 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 0.44 0.00 0.54 4.39 -2.01 -3.26 114.58 114.68 1wfs h GLU 105 Ca 0.00 -0.51 -0.05 0.00 0.34 0.00 0.00 59.36 59.14 1wfs h GLU 105 Cb 0.29 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1wfs h GLU 105 CO 0.00 1.16 -0.72 1.04 -1.16 0.00 0.00 179.01 179.33 1wfs n GLN 106 N -3.73 0.48 -0.28 2.33 1.13 -1.09 -4.05 117.38 112.18 1wfs n GLN 106 Ca -0.08 0.51 0.27 0.00 -1.94 0.00 0.00 57.00 55.77 1wfs n GLN 106 Cb 0.88 -1.68 0.50 0.00 0.11 0.00 0.00 30.24 30.05 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 -4.57 -0.05 -0.20 -1.09 0.00 -0.83 0.24 117.38 110.88 1wfs n GLN 107 Ca -0.13 1.17 -0.08 0.00 -0.00 0.00 0.00 57.00 57.95 1wfs n GLN 107 Cb 0.37 -2.10 0.02 0.00 0.00 0.00 0.00 30.24 28.53 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 0.86 -0.49 3.69 2.86 -1.74 0.47 114.93 120.58 1wfs h MET 108 Ca 0.72 -0.18 0.14 0.00 -2.06 0.00 0.00 59.70 58.33 1wfs h MET 108 Cb 1.93 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 33.44 1wfs h MET 108 CO -0.64 0.77 0.35 0.52 1.06 0.00 0.00 176.91 178.97 1wfs h MET 109 N 0.78 0.01 0.02 1.72 2.86 0.29 0.44 114.93 121.06 1wfs h MET 109 Ca 0.18 -0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.47 1wfs h MET 109 Cb 0.25 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.85 1wfs h MET 109 CO -0.01 0.01 -2.14 0.66 1.06 0.00 0.00 176.91 176.49 1wfs n TYR 110 N -4.39 0.50 0.17 -0.22 4.02 -0.90 -3.07 117.16 113.27 1wfs n TYR 110 Ca 0.09 0.15 0.03 0.00 -0.01 0.00 0.00 57.90 58.16 1wfs n TYR 110 Cb 0.56 -1.08 0.31 0.00 -0.02 0.00 0.00 39.34 39.11 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 0.65 1.12 0.00 -0.72 0.00 0.83 0.13 119.26 121.27 1wfs h ALA 111 Ca -0.46 -0.40 -0.30 0.00 0.00 0.00 0.00 54.91 53.75 1wfs h ALA 111 Cb 2.08 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.75 1wfs h ALA 111 CO 0.03 0.55 -1.80 0.41 0.00 0.00 0.00 179.25 178.44 1wfs n GLY 112 N -0.02 -0.98 0.26 0.00 0.00 0.15 -4.04 105.19 100.54 1wfs n GLY 112 Ca -0.01 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.03 1.15 0.02 1.61 7.64 -1.18 -4.45 113.62 115.39 1wfs n SER 113 Ca -0.19 -0.94 -0.04 0.00 1.01 0.00 0.00 58.87 58.71 1wfs n SER 113 Cb 1.06 0.24 -0.02 0.00 -1.01 0.00 0.00 64.21 64.48 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 1.26 -0.16 -1.03 1.43 3.64 -0.88 0.13 116.57 120.96 1wfs h LYS 114 Ca 0.00 0.01 0.32 0.00 -1.27 0.00 0.00 60.65 59.72 1wfs h LYS 114 Cb 0.55 0.04 -0.14 0.00 -0.41 0.00 0.00 32.23 32.26 1wfs h LYS 114 CO 0.00 -0.11 0.60 -0.91 -2.27 0.00 0.00 179.45 176.76 1wfs h ASN 115 N -0.17 0.50 0.19 4.20 2.35 -1.83 0.32 115.58 121.14 1wfs h ASN 115 Ca -0.00 0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 1wfs h ASN 115 Cb 0.17 0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1wfs h ASN 115 CO -0.07 -0.12 -0.09 -0.09 -1.65 0.00 0.00 177.43 175.42 1wfs h ARG 116 N 0.32 -0.24 0.24 0.81 9.65 -1.57 0.57 114.38 124.16 1wfs h ARG 116 Ca 0.73 0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 59.62 1wfs h ARG 116 Cb 1.71 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 30.35 1wfs h ARG 116 CO -0.57 -0.03 -0.11 1.25 2.80 0.00 0.00 179.97 183.31 1wfs h LEU 117 N -0.42 -0.27 -0.20 3.80 7.12 0.19 -2.42 115.31 123.11 1wfs h LEU 117 Ca -0.03 -0.10 0.05 0.00 0.13 0.00 0.00 57.88 57.93 1wfs h LEU 117 Cb 0.32 0.07 -0.05 0.00 -0.53 0.00 0.00 40.66 40.47 1wfs h LEU 117 CO 0.04 -0.06 -0.13 0.58 -0.13 0.00 0.00 178.44 178.74 1wfs h VAL 118 N -0.47 0.63 -0.97 1.05 2.07 -0.54 -1.31 116.25 116.70 1wfs h VAL 118 Ca -0.03 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.66 1wfs h VAL 118 Cb 0.36 0.63 -0.09 0.00 -1.52 0.00 0.00 31.29 30.66 1wfs h VAL 118 CO 0.05 0.00 0.61 1.56 0.02 0.00 0.00 177.57 179.81 1wfs h GLN 119 N -0.12 0.72 -0.57 1.57 1.08 -0.84 0.62 115.11 117.57 1wfs h GLN 119 Ca 0.11 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.24 1wfs h GLN 119 Cb 0.29 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 1wfs h GLN 119 CO -0.27 0.48 0.25 1.15 -0.95 0.00 0.00 178.83 179.49 1wfs h THR 120 N 0.74 1.22 0.00 -0.54 2.02 -0.73 -1.99 112.91 113.62 1wfs h THR 120 Ca 0.52 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1wfs h THR 120 Cb 0.83 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1wfs h THR 120 CO -0.29 0.25 0.00 0.00 0.37 0.00 0.00 175.52 175.85 1wfs n ALA 121 N -2.34 2.14 -3.45 6.16 0.00 -0.22 -4.79 120.51 118.01 1wfs n ALA 121 Ca 0.03 -0.05 -0.20 0.00 0.00 0.00 0.00 53.44 53.21 1wfs n ALA 121 Cb 0.14 -1.42 0.07 0.00 0.00 0.00 0.00 19.45 18.24 1wfs n ALA 121 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wfs n GLU 122 N -1.77 -6.97 -3.22 0.00 4.07 0.04 -4.82 120.64 107.98 1wfs n GLU 122 Ca 0.06 0.74 -0.45 0.00 -0.06 0.00 0.00 57.16 57.45 1wfs n GLU 122 Cb 0.32 -5.53 -0.01 0.00 -0.06 0.00 0.00 31.44 26.17 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 -6.53 6.08 0.37 4.31 1.43 -1.15 -4.88 118.68 118.32 1wfs s LEU 123 Ca 0.45 -3.05 0.16 0.00 -1.03 0.00 0.00 54.13 50.65 1wfs s LEU 123 Cb -0.20 -2.27 1.04 0.00 0.03 0.00 0.00 46.19 44.79 1wfs s LEU 123 CO 0.65 -0.54 1.75 0.74 0.23 0.00 0.00 176.35 179.18 1wfs h THR 124 N 4.41 0.51 -3.04 5.49 2.02 -1.90 -3.32 112.91 117.07 1wfs h THR 124 Ca 0.18 -0.15 -0.66 0.00 0.77 0.00 0.00 66.41 66.54 1wfs h THR 124 Cb 0.94 0.02 -0.17 0.00 -1.74 0.00 0.00 68.15 67.20 1wfs h THR 124 CO 0.99 0.08 0.25 -0.54 0.37 0.00 0.00 175.52 176.68 1wfs s LYS 125 N -5.59 3.14 -0.20 6.66 1.02 -1.26 -5.01 119.74 118.50 1wfs s LYS 125 Ca -0.09 -0.87 0.01 0.00 0.02 0.00 0.00 55.97 55.03 1wfs s LYS 125 Cb 0.26 -4.16 0.04 0.00 -0.52 0.00 0.00 37.83 33.46 1wfs s LYS 125 CO 0.80 -1.46 -0.10 0.54 -0.92 0.00 0.00 175.35 174.21 1wfs s VAL 126 N 3.16 1.59 0.31 3.17 0.11 -1.25 -1.65 120.40 125.83 1wfs s VAL 126 Ca 0.18 -0.97 0.08 0.00 -2.93 0.00 0.00 61.98 58.34 1wfs s VAL 126 Cb -0.19 -1.67 -0.03 0.00 -1.53 0.00 0.00 36.38 32.95 1wfs s VAL 126 CO 0.11 0.17 0.19 -0.36 -3.33 0.00 0.00 175.10 171.88 1wfs s PHE 127 N 1.42 2.87 -0.03 1.54 0.08 -0.53 -4.96 117.98 118.37 1wfs s PHE 127 Ca -0.01 -0.27 0.04 0.00 0.12 0.00 0.00 56.93 56.81 1wfs s PHE 127 Cb -0.16 -1.59 -0.01 0.00 -0.57 0.00 0.00 43.02 40.69 1wfs s PHE 127 CO -0.08 0.36 -0.15 -2.00 -0.10 0.00 0.00 175.22 173.24 1wfs s GLU 128 N -3.88 1.47 -0.17 0.44 2.12 -1.26 -2.09 118.70 115.33 1wfs s GLU 128 Ca 0.37 -0.54 -0.01 0.00 0.36 0.00 0.00 54.97 55.15 1wfs s GLU 128 Cb -0.05 -1.34 -0.00 0.00 0.26 0.00 0.00 34.13 32.99 1wfs s GLU 128 CO 0.24 0.25 -0.12 0.96 -0.54 0.00 0.00 175.26 176.05 1wfs s ILE 129 N -0.07 2.89 -0.87 -3.70 -4.36 -1.01 -4.96 121.20 109.12 1wfs s ILE 129 Ca -0.00 -0.68 0.20 0.00 -0.26 0.00 0.00 60.65 59.91 1wfs s ILE 129 Cb -0.09 -2.25 0.19 0.00 1.25 0.00 0.00 42.46 41.56 1wfs s ILE 129 CO 0.01 0.50 1.64 -1.14 0.24 0.00 0.00 174.94 176.19 1wfs n ARG 130 N 4.19 0.06 -3.58 0.37 3.00 -1.26 -2.43 116.66 117.01 1wfs n ARG 130 Ca -0.19 0.23 -0.10 0.00 -0.00 0.00 0.00 57.85 57.80 1wfs n ARG 130 Cb 0.52 -1.61 -0.05 0.00 0.00 0.00 0.00 32.46 31.32 1wfs n ARG 130 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 1wfs s THR 131 N -3.08 0.00 0.44 5.15 -1.32 -1.26 -4.03 115.64 111.54 1wfs s THR 131 Ca 0.08 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.70 1wfs s THR 131 Cb 0.12 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.43 1wfs s THR 131 CO 0.38 0.00 2.00 0.71 -2.21 0.00 0.00 174.62 175.50 1wfs h THR 132 N 2.50 0.92 0.00 5.08 1.35 -1.87 -0.08 112.91 120.82 1wfs h THR 132 Ca -0.17 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1wfs h THR 132 Cb 1.17 0.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1wfs h THR 132 CO 0.30 0.07 0.20 -0.67 -0.25 0.00 0.00 175.52 175.17 1wfs n ASP 133 N -4.47 0.34 0.09 5.36 2.03 -1.26 -0.14 116.55 118.50 1wfs n ASP 133 Ca 0.08 0.58 -0.18 0.00 0.52 0.00 0.00 54.79 55.78 1wfs n ASP 133 Cb 0.32 -0.56 -0.14 0.00 -0.72 0.00 0.00 41.12 40.01 1wfs n ASP 133 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1wfs h ASP 134 N 0.00 0.50 -0.12 1.67 3.32 -1.42 -3.42 116.42 116.95 1wfs h ASP 134 Ca 0.00 -0.60 -0.00 0.00 0.02 0.00 0.00 57.03 56.44 1wfs h ASP 134 Cb 0.39 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 1wfs h ASP 134 CO 0.00 1.49 0.04 -0.11 -1.72 0.00 0.00 179.24 178.93 1wfs n LEU 135 N -3.53 1.30 -4.24 1.55 0.00 0.80 -4.51 117.00 108.37 1wfs n LEU 135 Ca -0.14 -2.30 -0.25 0.00 0.00 0.00 0.00 56.01 53.32 1wfs n LEU 135 Cb 1.05 -1.69 -0.14 0.00 0.00 0.00 0.00 43.42 42.64 1wfs n LEU 135 CO 0.53 -3.48 -0.51 0.42 0.00 0.00 0.00 177.39 174.35 1wfs s THR 136 N 16.63 1.60 0.56 1.96 -4.23 -1.24 -4.26 115.64 126.65 1wfs s THR 136 Ca 0.82 -1.18 0.28 0.00 -1.18 0.00 0.00 61.69 60.43 1wfs s THR 136 Cb -0.07 -1.40 0.41 0.00 1.34 0.00 0.00 72.50 72.79 1wfs s THR 136 CO 0.17 0.18 1.24 1.21 -0.54 0.00 0.00 174.62 176.88 1wfs n GLU 137 N 1.85 0.01 0.00 3.99 2.13 -1.26 -1.17 120.64 126.19 1wfs n GLU 137 Ca -0.17 0.96 0.00 0.00 0.66 0.00 0.00 57.16 58.61 1wfs n GLU 137 Cb 0.53 -2.36 0.00 0.00 0.27 0.00 0.00 31.44 29.88 1wfs n GLU 137 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1wfs n THR 138 N -3.21 0.00 -0.56 6.31 -1.04 -1.26 -2.49 114.28 112.03 1wfs n THR 138 Ca 0.25 0.38 0.45 0.00 -2.04 0.00 0.00 64.05 63.09 1wfs n THR 138 Cb 1.50 -1.18 0.70 0.00 -1.82 0.00 0.00 70.33 69.53 1wfs n THR 138 CO 0.00 0.00 0.00 1.87 -0.64 0.00 0.00 175.07 176.30 1wfs n TRP 139 N -1.75 0.00 -0.03 -1.42 -0.00 -0.56 0.11 117.44 113.78 1wfs n TRP 139 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.49 1wfs n TRP 139 Cb 0.00 -0.42 -0.00 0.00 -0.00 0.00 0.00 31.31 30.89 1wfs n TRP 139 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 177.69 178.94 1wfs h LEU 140 N 0.00 -0.03 -0.67 5.87 7.12 -1.29 -3.25 115.31 123.06 1wfs h LEU 140 Ca 0.80 0.00 0.07 0.00 0.13 0.00 0.00 57.88 58.88 1wfs h LEU 140 Cb 3.49 0.01 -0.06 0.00 -0.53 0.00 0.00 40.66 43.57 1wfs h LEU 140 CO -0.01 0.45 0.35 0.11 -0.13 0.00 0.00 178.44 179.22 1wfs h LYS 141 N -0.99 0.62 -0.69 1.25 1.57 -0.35 -2.01 116.57 115.96 1wfs h LYS 141 Ca -0.00 -0.04 0.15 0.00 -1.87 0.00 0.00 60.65 58.89 1wfs h LYS 141 Cb 0.03 -0.14 -0.11 0.00 0.08 0.00 0.00 32.23 32.09 1wfs h LYS 141 CO 0.01 0.41 0.08 0.93 -0.57 0.00 0.00 179.45 180.30 1wfs h GLU 142 N 0.64 0.17 -0.58 3.15 5.08 -0.49 0.34 114.58 122.89 1wfs h GLU 142 Ca 0.31 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.62 1wfs h GLU 142 Cb 0.25 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1wfs h GLU 142 CO -0.21 0.11 0.21 0.87 -1.00 0.00 0.00 179.01 178.99 1wfs h LYS 143 N 0.18 0.87 -0.46 2.33 1.79 -1.41 -2.30 116.57 117.57 1wfs h LYS 143 Ca 0.38 -0.17 -0.03 0.00 -2.18 0.00 0.00 60.65 58.64 1wfs h LYS 143 Cb 0.64 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.13 1wfs h LYS 143 CO -0.54 0.77 0.16 -0.07 -1.08 0.00 0.00 179.45 178.68 1wfs h LEU 144 N 0.80 0.66 0.37 2.94 3.38 -0.55 -2.41 115.31 120.50 1wfs h LEU 144 Ca 0.19 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1wfs h LEU 144 Cb 0.23 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1wfs h LEU 144 CO -0.01 0.67 -0.48 0.00 0.09 0.00 0.00 178.44 178.71 1wfs h ALA 145 N 1.01 -1.09 0.00 1.53 0.00 -0.25 -3.43 119.26 117.03 1wfs h ALA 145 Ca 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wfs h ALA 145 Cb 0.24 0.76 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1wfs h ALA 145 CO -0.01 -1.14 0.00 0.45 0.00 0.00 0.00 179.25 178.55 1wfs n SER 146 N -5.32 0.00 -4.34 0.00 2.88 -1.01 -5.11 113.62 100.71 1wfs n SER 146 Ca -0.10 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.06 1wfs n SER 146 Cb 0.42 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.92 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 0.00 -2.43 1.47 0.46 0.00 -0.90 -4.97 105.19 98.82 1wfs n GLY 147 Ca 0.00 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 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 0.60 -1.91 0.04 1.61 -0.04 -1.26 -5.01 135.00 129.03 1wfs n PRO 148 Ca 0.09 -0.73 0.00 0.00 -0.04 0.00 0.00 63.50 62.81 1wfs n PRO 148 Cb 0.49 -0.69 0.00 0.00 -0.04 0.00 0.00 33.50 33.26 1wfs n PRO 148 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wfs n SER 149 N -3.79 0.82 -3.83 3.54 7.64 -1.26 -5.02 113.62 111.72 1wfs n SER 149 Ca 0.06 0.11 -0.30 0.00 1.01 0.00 0.00 58.87 59.75 1wfs n SER 149 Cb 0.25 -0.24 -0.15 0.00 -1.01 0.00 0.00 64.21 63.05 1wfs n SER 149 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wfs s SER 150 N -5.73 4.03 0.00 6.43 0.01 -1.26 -3.80 113.70 113.38 1wfs s SER 150 Ca 0.00 -1.57 0.00 0.00 1.31 0.00 0.00 55.95 55.69 1wfs s SER 150 Cb 0.00 -1.05 0.00 0.00 0.21 0.00 0.00 66.02 65.18 1wfs s SER 150 CO 0.00 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 173.90