#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 -6.18 -3.75 1.61 7.64 -1.26 -5.04 113.62 106.64 1wfs n SER 2 Ca 0.00 0.73 -0.04 0.00 1.01 0.00 0.00 58.87 60.56 1wfs n SER 2 Cb 0.00 -3.77 -0.01 0.00 -1.01 0.00 0.00 64.21 59.41 1wfs n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wfs s SER 3 N -5.97 -0.19 0.00 6.43 0.15 -1.26 -5.14 113.70 107.72 1wfs s SER 3 Ca 0.00 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.16 1wfs s SER 3 Cb 0.00 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1wfs s SER 3 CO 0.00 -1.04 0.00 0.61 1.20 0.00 0.00 173.24 174.01 1wfs n GLY 4 N -0.48 0.48 2.86 9.45 0.00 -1.26 -4.98 105.19 111.27 1wfs n GLY 4 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.89 1wfs n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wfs s SER 5 N -1.35 -0.69 0.00 1.61 0.15 -1.26 -5.14 113.70 107.02 1wfs s SER 5 Ca 0.00 -1.55 0.00 0.00 0.70 0.00 0.00 55.95 55.10 1wfs s SER 5 Cb 0.00 1.42 0.00 0.00 -1.71 0.00 0.00 66.02 65.73 1wfs s SER 5 CO 0.00 -0.14 0.00 -1.20 1.20 0.00 0.00 173.24 173.10 1wfs n SER 6 N 3.63 0.00 0.00 5.45 7.64 -1.26 -5.09 113.62 123.99 1wfs n SER 6 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1wfs n SER 6 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1wfs n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wfs n GLY 7 N -0.10 0.69 0.98 0.23 0.00 -1.26 -4.53 105.19 101.21 1wfs n GLY 7 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1wfs n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfs n SER 8 N 2.61 0.00 -3.38 1.61 2.88 -1.26 -5.10 113.62 110.98 1wfs n SER 8 Ca 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.30 1wfs n SER 8 Cb 0.00 0.24 0.02 0.00 -0.75 0.00 0.00 64.21 63.73 1wfs n SER 8 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1wfs n ASP 9 N -1.97 -5.88 -4.65 -3.46 5.75 -1.26 -4.88 116.55 100.19 1wfs n ASP 9 Ca 0.00 0.06 -0.39 0.00 -0.01 0.00 0.00 54.79 54.44 1wfs n ASP 9 Cb 0.00 -1.58 -0.07 0.00 -1.03 0.00 0.00 41.12 38.44 1wfs n ASP 9 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1wfs s SER 10 N -1.27 6.54 0.00 -1.12 0.01 -1.26 -5.04 113.70 111.56 1wfs s SER 10 Ca 0.23 0.65 0.00 0.00 1.31 0.00 0.00 55.95 58.14 1wfs s SER 10 Cb -0.02 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.91 1wfs s SER 10 CO 0.53 -0.21 0.00 0.18 0.41 0.00 0.00 173.24 174.14 1wfs n LEU 11 N 4.99 0.00 -2.85 2.44 4.77 -1.26 -5.05 117.00 120.04 1wfs n LEU 11 Ca -0.04 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.56 1wfs n LEU 11 Cb 0.50 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.61 1wfs n LEU 11 CO 0.42 0.00 1.56 0.52 -1.33 0.00 0.00 177.39 178.55 1wfs n VAL 12 N 0.00 3.59 -1.41 4.08 0.31 -1.26 -5.00 118.33 118.64 1wfs n VAL 12 Ca 0.00 -4.07 -0.60 0.00 -0.01 0.00 0.00 64.34 59.66 1wfs n VAL 12 Cb 0.00 -1.32 -0.11 0.00 -0.91 0.00 0.00 33.84 31.51 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 -0.24 0.05 -3.26 2.52 0.31 -1.26 -4.69 118.33 111.75 1wfs n VAL 13 Ca 0.53 -0.04 -0.19 0.00 -0.01 0.00 0.00 64.34 64.63 1wfs n VAL 13 Cb 0.29 -0.71 -0.01 0.00 -0.91 0.00 0.00 33.84 32.51 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 -4.25 2.09 -0.55 0.00 0.41 -1.15 -4.84 118.70 110.41 1wfs s GLU 15 Ca 0.52 -0.95 -0.12 0.00 -0.41 0.00 0.00 54.97 54.01 1wfs s GLU 15 Cb -0.07 -2.40 0.14 0.00 -1.78 0.00 0.00 34.13 30.02 1wfs s GLU 15 CO 0.31 -1.11 0.46 0.54 -0.49 0.00 0.00 175.26 174.97 1wfs s VAL 16 N -2.97 4.72 0.14 2.63 0.11 -1.26 -0.26 120.40 123.51 1wfs s VAL 16 Ca 0.62 -1.85 -0.19 0.00 -2.93 0.00 0.00 61.98 57.64 1wfs s VAL 16 Cb -0.08 -4.05 -0.11 0.00 -1.53 0.00 0.00 36.38 30.61 1wfs s VAL 16 CO 0.42 -0.85 0.33 -0.67 -3.33 0.00 0.00 175.10 171.00 1wfs n ASP 17 N 4.82 -0.90 0.02 3.54 -0.08 -0.73 -4.63 116.55 118.58 1wfs n ASP 17 Ca -0.06 0.75 -0.06 0.00 -1.51 0.00 0.00 54.79 53.90 1wfs n ASP 17 Cb 0.41 -0.64 0.12 0.00 2.34 0.00 0.00 41.12 43.36 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 0.65 0.48 0.00 -0.67 0.13 -1.97 -1.01 132.00 129.61 1wfs h PRO 18 Ca -0.19 -0.25 -0.06 0.00 -0.87 0.00 0.00 66.00 64.63 1wfs h PRO 18 Cb 0.97 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 1wfs h PRO 18 CO 0.38 0.83 -0.26 1.05 -0.23 0.00 0.00 178.00 179.76 1wfs h GLU 19 N 0.39 0.00 0.13 0.86 -0.00 -1.95 -3.10 114.58 110.91 1wfs h GLU 19 Ca 0.03 0.00 -0.35 0.00 -0.00 0.00 0.00 59.36 59.04 1wfs h GLU 19 Cb 0.92 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.66 1wfs h GLU 19 CO 0.08 0.26 -1.87 1.25 -0.00 0.00 0.00 179.01 178.73 1wfs h LEU 20 N 0.00 0.44 -0.74 3.06 6.46 -1.83 -3.33 115.31 119.36 1wfs h LEU 20 Ca -0.00 -0.84 0.16 0.00 -0.12 0.00 0.00 57.88 57.07 1wfs h LEU 20 Cb 0.66 -0.14 -0.14 0.00 -0.73 0.00 0.00 40.66 40.31 1wfs h LEU 20 CO 0.03 1.74 -0.12 0.50 -0.62 0.00 0.00 178.44 179.98 1wfs h LYS 21 N 0.08 0.03 -0.36 1.25 3.64 -1.11 0.78 116.57 120.88 1wfs h LYS 21 Ca -0.38 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.99 1wfs h LYS 21 Cb 2.05 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.85 1wfs h LYS 21 CO 0.12 0.02 0.18 0.93 -2.27 0.00 0.00 179.45 178.43 1wfs h GLU 22 N 0.03 0.51 -0.80 1.90 5.08 -1.72 -2.70 114.58 116.88 1wfs h GLU 22 Ca 0.38 -0.07 0.19 0.00 -1.00 0.00 0.00 59.36 58.85 1wfs h GLU 22 Cb 0.61 -0.09 -0.12 0.00 0.50 0.00 0.00 28.75 29.65 1wfs h GLU 22 CO -0.73 0.45 0.19 1.15 -1.00 0.00 0.00 179.01 179.08 1wfs h THR 23 N 0.44 0.43 0.18 1.13 2.02 -0.98 0.31 112.91 116.44 1wfs h THR 23 Ca 0.12 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 1wfs h THR 23 Cb 0.10 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.68 1wfs h THR 23 CO -0.02 0.04 -0.09 -0.07 0.37 0.00 0.00 175.52 175.76 1wfs h LEU 24 N 0.24 -0.21 -1.73 2.58 3.38 -1.15 0.31 115.31 118.74 1wfs h LEU 24 Ca 0.47 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.35 1wfs h LEU 24 Cb 0.87 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1wfs h LEU 24 CO -0.58 0.03 0.30 -0.09 0.09 0.00 0.00 178.44 178.19 1wfs h ARG 25 N -0.45 0.33 0.16 1.13 2.43 -0.91 -1.90 114.38 115.17 1wfs h ARG 25 Ca -0.02 -0.02 -0.29 0.00 -0.81 0.00 0.00 59.98 58.83 1wfs h ARG 25 Cb 0.34 -0.07 0.03 0.00 -0.42 0.00 0.00 29.97 29.85 1wfs h ARG 25 CO 0.04 0.22 -1.24 0.87 -1.51 0.00 0.00 179.97 178.35 1wfs h LYS 26 N 0.34 0.56 -0.93 0.20 1.79 -0.19 -3.05 116.57 115.29 1wfs h LYS 26 Ca 0.19 -0.82 0.07 0.00 -2.18 0.00 0.00 60.65 57.92 1wfs h LYS 26 Cb 0.33 0.28 -0.06 0.00 -1.58 0.00 0.00 32.23 31.20 1wfs h LYS 26 CO -0.04 1.37 0.60 0.35 -1.08 0.00 0.00 179.45 180.65 1wfs h PHE 27 N 0.15 1.07 -0.09 -1.35 3.57 0.36 1.42 116.94 122.07 1wfs h PHE 27 Ca -0.20 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.18 1wfs h PHE 27 Cb 1.94 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 40.32 1wfs h PHE 27 CO 0.13 0.54 -0.58 0.00 -2.23 0.00 0.00 178.31 176.17 1wfs h ARG 28 N 1.03 0.29 -0.71 1.11 3.08 -1.45 -3.23 114.38 114.49 1wfs h ARG 28 Ca 0.41 -0.19 -0.52 0.00 0.07 0.00 0.00 59.98 59.75 1wfs h ARG 28 Cb 0.25 0.02 -0.40 0.00 0.08 0.00 0.00 29.97 29.92 1wfs h ARG 28 CO -0.16 0.78 -0.76 1.19 -1.07 0.00 0.00 179.97 179.96 1wfs n PHE 29 N -3.90 2.60 -2.04 3.04 3.72 -0.47 -5.06 117.46 115.36 1wfs n PHE 29 Ca -0.02 -2.20 -0.32 0.00 -0.05 0.00 0.00 57.45 54.86 1wfs n PHE 29 Cb 0.60 -0.36 0.01 0.00 -0.94 0.00 0.00 39.48 38.79 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 -3.58 3.42 -0.13 -1.08 1.70 0.48 -4.90 118.95 114.86 1wfs s ARG 30 Ca 0.51 1.08 0.01 0.00 -0.47 0.00 0.00 55.73 56.86 1wfs s ARG 30 Cb 0.41 -2.05 0.18 0.00 -0.57 0.00 0.00 34.95 32.92 1wfs s ARG 30 CO 0.03 -0.72 1.30 1.63 -1.08 0.00 0.00 175.30 176.46 1wfs n LYS 31 N -2.14 1.35 -3.75 3.89 4.01 -1.26 -4.87 118.16 115.39 1wfs n LYS 31 Ca 0.08 -0.83 -0.23 0.00 -0.51 0.00 0.00 58.31 56.82 1wfs n LYS 31 Cb 0.53 -1.32 -0.03 0.00 -0.51 0.00 0.00 35.03 33.70 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 -0.91 2.39 -0.11 1.97 2.02 -1.26 -5.06 118.70 117.74 1wfs s GLU 32 Ca 0.16 -1.73 0.18 0.00 0.02 0.00 0.00 54.97 53.60 1wfs s GLU 32 Cb 0.13 -2.23 0.36 0.00 0.10 0.00 0.00 34.13 32.49 1wfs s GLU 32 CO 0.03 -0.31 1.17 0.25 0.02 0.00 0.00 175.26 176.41 1wfs n THR 33 N -1.56 0.32 -4.34 3.63 -2.24 -1.26 -5.12 114.28 103.71 1wfs n THR 33 Ca 0.02 -1.28 -0.18 0.00 -2.27 0.00 0.00 64.05 60.33 1wfs n THR 33 Cb 0.63 0.98 -0.09 0.00 -2.10 0.00 0.00 70.33 69.74 1wfs n THR 33 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wfs s ASN 34 N -2.15 1.51 0.36 3.42 2.20 -1.26 -5.10 114.94 113.91 1wfs s ASN 34 Ca 0.22 -1.52 -0.26 0.00 -0.94 0.00 0.00 52.86 50.36 1wfs s ASN 34 Cb 0.30 0.34 -0.09 0.00 -2.00 0.00 0.00 41.25 39.80 1wfs s ASN 34 CO -0.10 -0.85 1.05 0.20 -2.94 0.00 0.00 177.10 174.46 1wfs s ASN 35 N -3.37 6.97 0.15 3.54 0.01 -1.26 -4.92 114.94 116.06 1wfs s ASN 35 Ca 0.36 2.07 -0.18 0.00 -0.71 0.00 0.00 52.86 54.40 1wfs s ASN 35 Cb 0.06 -2.60 0.04 0.00 0.41 0.00 0.00 41.25 39.16 1wfs s ASN 35 CO 0.17 -0.34 0.48 0.00 -1.51 0.00 0.00 177.10 175.89 1wfs s ALA 36 N -1.52 -1.08 0.05 0.60 0.00 -1.21 -0.82 121.76 117.79 1wfs s ALA 36 Ca 0.53 0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.53 1wfs s ALA 36 Cb -0.24 0.78 -0.03 0.00 0.00 0.00 0.00 23.12 23.63 1wfs s ALA 36 CO 0.31 -0.72 -0.08 0.00 0.00 0.00 0.00 175.76 175.27 1wfs s ALA 37 N -3.81 0.63 -0.20 0.00 0.00 0.18 -0.53 121.76 118.03 1wfs s ALA 37 Ca 0.04 -0.85 -0.03 0.00 0.00 0.00 0.00 51.96 51.12 1wfs s ALA 37 Cb 0.00 0.06 0.06 0.00 0.00 0.00 0.00 23.12 23.25 1wfs s ALA 37 CO -0.10 -0.05 0.05 0.42 0.00 0.00 0.00 175.76 176.09 1wfs s ILE 38 N -1.68 0.38 -0.33 0.00 1.01 -0.81 -1.76 121.20 118.02 1wfs s ILE 38 Ca -0.07 -0.52 -0.19 0.00 0.00 0.00 0.00 60.65 59.87 1wfs s ILE 38 Cb -0.08 -0.96 -0.01 0.00 0.01 0.00 0.00 42.46 41.43 1wfs s ILE 38 CO -0.00 -0.27 0.56 -0.63 0.00 0.00 0.00 174.94 174.60 1wfs s ILE 39 N 1.92 4.98 0.04 2.92 1.01 0.20 -0.95 121.20 131.31 1wfs s ILE 39 Ca 0.01 0.58 0.05 0.00 0.00 0.00 0.00 60.65 61.29 1wfs s ILE 39 Cb -0.17 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 1wfs s ILE 39 CO -0.10 -0.18 -0.11 -0.04 0.00 0.00 0.00 174.94 174.51 1wfs s MET 40 N 2.50 2.29 0.43 2.79 -1.94 0.31 0.01 119.30 125.68 1wfs s MET 40 Ca 0.22 -0.88 0.03 0.00 -1.71 0.00 0.00 55.69 53.35 1wfs s MET 40 Cb -0.15 -2.35 -0.02 0.00 2.01 0.00 0.00 34.83 34.32 1wfs s MET 40 CO 0.13 0.56 0.09 -1.59 -0.01 0.00 0.00 175.02 174.20 1wfs s LYS 41 N -1.60 1.99 -0.18 2.03 -2.85 -0.27 -0.14 119.74 118.73 1wfs s LYS 41 Ca 0.17 -2.23 0.01 0.00 -1.00 0.00 0.00 55.97 52.92 1wfs s LYS 41 Cb -0.11 -0.86 0.03 0.00 -2.06 0.00 0.00 37.83 34.83 1wfs s LYS 41 CO 0.08 -0.44 -0.15 0.54 0.10 0.00 0.00 175.35 175.49 1wfs s VAL 42 N -3.12 1.78 -0.23 1.79 0.11 -1.26 0.52 120.40 119.99 1wfs s VAL 42 Ca 0.20 -0.91 -0.29 0.00 -2.93 0.00 0.00 61.98 58.05 1wfs s VAL 42 Cb 0.03 -1.72 0.00 0.00 -1.53 0.00 0.00 36.38 33.16 1wfs s VAL 42 CO 0.12 0.36 1.11 -1.81 -3.33 0.00 0.00 175.10 171.55 1wfs s ASP 43 N 1.37 7.02 0.47 3.54 1.11 0.08 -4.88 116.67 125.39 1wfs s ASP 43 Ca 0.02 1.40 0.25 0.00 0.18 0.00 0.00 52.55 54.40 1wfs s ASP 43 Cb -0.14 -2.54 1.15 0.00 1.07 0.00 0.00 42.92 42.45 1wfs s ASP 43 CO -0.10 -0.74 1.93 0.50 1.18 0.00 0.00 175.17 177.94 1wfs h LYS 44 N 7.82 0.00 -0.16 8.23 3.64 -1.96 1.14 116.57 135.29 1wfs h LYS 44 Ca -0.21 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.01 1wfs h LYS 44 Cb 1.07 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1wfs h LYS 44 CO 0.99 0.19 -0.57 -0.44 -2.27 0.00 0.00 179.45 177.35 1wfs h ASP 45 N 0.00 0.54 -0.18 4.20 3.32 -1.97 -3.22 116.42 119.12 1wfs h ASP 45 Ca -0.00 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1wfs h ASP 45 Cb 0.57 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1wfs h ASP 45 CO 0.02 0.99 0.00 0.54 -1.72 0.00 0.00 179.24 179.08 1wfs n ARG 46 N -3.94 2.47 -3.94 3.56 1.74 -1.04 -5.00 116.66 110.51 1wfs n ARG 46 Ca -0.03 -1.70 -0.29 0.00 -0.77 0.00 0.00 57.85 55.06 1wfs n ARG 46 Cb 0.61 -1.16 -0.04 0.00 -1.02 0.00 0.00 32.46 30.85 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 0.17 -0.72 -3.80 5.56 1.13 0.39 -4.89 117.38 115.22 1wfs n GLN 47 Ca 0.07 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 55.01 1wfs n GLN 47 Cb 0.33 -2.28 -0.09 0.00 0.11 0.00 0.00 30.24 28.31 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 -6.60 0.67 -0.46 -1.09 0.23 -1.03 -2.93 119.30 108.08 1wfs s MET 48 Ca 0.16 -0.38 -0.27 0.00 -1.03 0.00 0.00 55.69 54.17 1wfs s MET 48 Cb -0.09 0.29 0.03 0.00 -1.53 0.00 0.00 34.83 33.53 1wfs s MET 48 CO 0.76 -0.19 1.02 0.08 -2.03 0.00 0.00 175.02 174.66 1wfs s VAL 49 N -1.82 4.36 -0.01 5.16 1.01 0.64 -0.74 120.40 129.01 1wfs s VAL 49 Ca -0.10 0.98 0.07 0.00 0.00 0.00 0.00 61.98 62.93 1wfs s VAL 49 Cb -0.04 -4.51 -0.03 0.00 0.00 0.00 0.00 36.38 31.81 1wfs s VAL 49 CO 0.01 -0.90 -0.21 0.68 0.00 0.00 0.00 175.10 174.67 1wfs s VAL 50 N 4.06 2.49 0.20 2.92 -7.23 0.18 -1.78 120.40 121.25 1wfs s VAL 50 Ca 0.42 -1.05 -0.32 0.00 -1.81 0.00 0.00 61.98 59.23 1wfs s VAL 50 Cb -0.09 -1.95 -0.15 0.00 0.56 0.00 0.00 36.38 34.75 1wfs s VAL 50 CO 0.28 0.51 1.22 -0.11 -0.31 0.00 0.00 175.10 176.70 1wfs n LEU 51 N 2.16 2.01 -0.11 1.32 0.00 -1.26 -1.12 117.00 120.00 1wfs n LEU 51 Ca -0.16 1.15 -0.15 0.00 0.00 0.00 0.00 56.01 56.84 1wfs n LEU 51 Cb 0.52 -1.28 -0.11 0.00 0.00 0.00 0.00 43.42 42.54 1wfs n LEU 51 CO 0.24 -1.07 -1.24 1.21 0.00 0.00 0.00 177.39 176.53 1wfs n GLU 52 N 1.73 0.61 -3.55 1.96 2.13 0.10 -4.70 120.64 118.92 1wfs n GLU 52 Ca 0.13 0.12 -0.07 0.00 0.66 0.00 0.00 57.16 58.01 1wfs n GLU 52 Cb 0.27 -1.46 -0.02 0.00 0.27 0.00 0.00 31.44 30.50 1wfs n GLU 52 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1wfs s ASP 53 N -6.16 -0.28 -0.16 4.31 1.01 0.63 -5.00 116.67 111.02 1wfs s ASP 53 Ca -0.29 -0.04 -0.04 0.00 0.71 0.00 0.00 52.55 52.88 1wfs s ASP 53 Cb 0.08 0.33 0.08 0.00 1.01 0.00 0.00 42.92 44.42 1wfs s ASP 53 CO 0.55 -0.55 0.26 -1.61 0.21 0.00 0.00 175.17 174.03 1wfs s GLU 54 N -2.95 0.18 0.02 8.23 2.02 -1.26 -0.63 118.70 124.30 1wfs s GLU 54 Ca 0.07 0.55 0.08 0.00 0.02 0.00 0.00 54.97 55.69 1wfs s GLU 54 Cb -0.01 -0.46 -0.03 0.00 0.10 0.00 0.00 34.13 33.74 1wfs s GLU 54 CO -0.07 -0.44 -0.23 -0.51 0.02 0.00 0.00 175.26 174.03 1wfs s LEU 55 N 2.40 2.28 0.39 1.80 1.43 -0.72 -5.02 118.68 121.24 1wfs s LEU 55 Ca 0.04 -0.49 0.08 0.00 -1.03 0.00 0.00 54.13 52.73 1wfs s LEU 55 Cb -0.14 -1.37 -0.07 0.00 0.03 0.00 0.00 46.19 44.64 1wfs s LEU 55 CO -0.10 0.28 0.02 -1.10 0.23 0.00 0.00 176.35 175.68 1wfs s GLN 56 N -1.08 1.99 -1.38 1.70 1.11 -1.26 -0.64 119.66 120.10 1wfs s GLN 56 Ca 0.12 -2.00 -0.08 0.00 0.01 0.00 0.00 55.36 53.40 1wfs s GLN 56 Cb -0.10 -1.74 0.01 0.00 -1.01 0.00 0.00 33.01 30.17 1wfs s GLN 56 CO 0.02 -0.01 0.39 0.09 0.01 0.00 0.00 175.29 175.79 1wfs n ASN 57 N -0.99 -1.25 -4.11 5.90 3.02 0.00 -4.95 115.26 112.89 1wfs n ASN 57 Ca -0.04 -1.13 -0.22 0.00 -0.03 0.00 0.00 54.58 53.16 1wfs n ASN 57 Cb 0.66 -2.48 -0.15 0.00 -0.61 0.00 0.00 39.78 37.20 1wfs n ASN 57 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1wfs s ILE 58 N -3.94 1.09 0.75 2.41 -1.16 -1.25 -5.05 121.20 114.05 1wfs s ILE 58 Ca 0.14 -0.60 -0.10 0.00 -0.51 0.00 0.00 60.65 59.58 1wfs s ILE 58 Cb -0.07 -0.91 0.06 0.00 0.61 0.00 0.00 42.46 42.15 1wfs s ILE 58 CO 0.93 0.30 1.10 -0.44 -2.81 0.00 0.00 174.94 174.02 1wfs s SER 59 N -0.35 4.77 0.00 4.50 0.01 -1.26 -4.60 113.70 116.77 1wfs s SER 59 Ca 0.05 0.70 0.11 0.00 1.31 0.00 0.00 55.95 58.12 1wfs s SER 59 Cb -0.05 -1.30 0.65 0.00 0.21 0.00 0.00 66.02 65.52 1wfs s SER 59 CO -0.00 -1.70 1.08 -0.81 0.41 0.00 0.00 173.24 172.22 1wfs n PRO 60 N -3.11 0.49 -0.07 12.44 -0.04 -1.26 -2.18 135.00 141.27 1wfs n PRO 60 Ca 0.08 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.50 1wfs n PRO 60 Cb 0.60 -1.35 -0.15 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 0.92 0.07 0.54 1.02 -1.26 -4.31 120.64 116.78 1wfs n GLU 61 Ca 0.08 -0.06 -0.22 0.00 -0.02 0.00 0.00 57.16 56.94 1wfs n GLU 61 Cb 0.04 -1.46 -0.15 0.00 -0.02 0.00 0.00 31.44 29.85 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 0.38 -0.29 3.49 4.39 -1.81 -3.32 114.58 117.42 1wfs h GLU 62 Ca -0.35 -0.64 0.07 0.00 0.34 0.00 0.00 59.36 58.77 1wfs h GLU 62 Cb 1.76 0.24 -0.07 0.00 -0.10 0.00 0.00 28.75 30.59 1wfs h GLU 62 CO 0.02 1.31 -0.14 1.25 -1.16 0.00 0.00 179.01 180.29 1wfs h LEU 63 N -0.12 -0.47 -2.03 1.33 6.46 -1.76 0.13 115.31 118.84 1wfs h LEU 63 Ca -0.25 0.11 0.12 0.00 -0.12 0.00 0.00 57.88 57.75 1wfs h LEU 63 Cb 1.90 0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 42.08 1wfs h LEU 63 CO 0.17 -0.17 0.34 0.50 -0.62 0.00 0.00 178.44 178.65 1wfs h LYS 64 N -0.10 0.00 0.04 1.25 3.64 -1.75 0.97 116.57 120.62 1wfs h LYS 64 Ca 0.15 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.30 1wfs h LYS 64 Cb 0.33 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1wfs h LYS 64 CO -0.36 0.00 -1.11 -0.07 -2.27 0.00 0.00 179.45 175.65 1wfs h LEU 65 N 0.00 0.14 -1.18 5.20 4.07 -0.93 -3.21 115.31 119.40 1wfs h LEU 65 Ca 0.20 -0.16 -0.00 0.00 0.08 0.00 0.00 57.88 58.00 1wfs h LEU 65 Cb 0.87 -0.05 -0.00 0.00 1.08 0.00 0.00 40.66 42.56 1wfs h LEU 65 CO -0.00 1.12 -0.01 -0.33 -1.08 0.00 0.00 178.44 178.14 1wfs h GLU 66 N 0.03 0.00 -6.80 1.13 4.39 0.93 -3.44 114.58 110.82 1wfs h GLU 66 Ca -0.06 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.14 1wfs h GLU 66 Cb 1.85 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.49 1wfs h GLU 66 CO 0.15 0.01 0.10 -0.51 -1.16 0.00 0.00 179.01 177.61 1wfs s LEU 67 N -6.21 3.89 0.00 1.33 1.43 -0.78 -5.09 118.68 113.25 1wfs s LEU 67 Ca 0.02 1.15 0.00 0.00 -1.03 0.00 0.00 54.13 54.27 1wfs s LEU 67 Cb 0.08 -4.01 0.00 0.00 0.03 0.00 0.00 46.19 42.29 1wfs s LEU 67 CO 0.57 -0.35 0.00 -0.81 0.23 0.00 0.00 176.35 175.99 1wfs n PRO 68 N -1.07 0.40 0.00 1.29 -0.04 -1.26 -4.99 135.00 129.33 1wfs n PRO 68 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1wfs n PRO 68 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 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 -0.45 1.72 -2.23 0.54 0.28 -1.26 -4.85 120.64 114.39 1wfs n GLU 69 Ca 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.86 1wfs n GLU 69 Cb 0.00 -0.70 0.04 0.00 1.43 0.00 0.00 31.44 32.21 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 -1.08 2.77 -3.66 3.44 -4.01 -1.26 -4.31 116.66 108.55 1wfs n ARG 70 Ca 0.00 -3.84 -0.11 0.00 -1.04 0.00 0.00 57.85 52.86 1wfs n ARG 70 Cb 0.19 -1.96 -0.11 0.00 -3.04 0.00 0.00 32.46 27.54 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 -3.57 0.24 0.16 2.89 -0.21 -1.26 -4.15 119.66 113.77 1wfs s GLN 71 Ca 0.42 0.90 -0.30 0.00 0.02 0.00 0.00 55.36 56.39 1wfs s GLN 71 Cb 0.38 0.16 -0.08 0.00 1.00 0.00 0.00 33.01 34.47 1wfs s GLN 71 CO 0.00 -0.27 1.33 -1.25 -2.12 0.00 0.00 175.29 172.98 1wfs s PRO 72 N 2.52 4.37 0.15 2.91 0.04 -1.26 -4.68 135.00 139.06 1wfs s PRO 72 Ca -0.00 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 62.89 1wfs s PRO 72 Cb -0.12 -3.22 0.04 0.00 0.04 0.00 0.00 34.50 31.24 1wfs s PRO 72 CO -0.11 -0.31 0.49 -0.98 0.04 0.00 0.00 177.00 176.12 1wfs s ARG 73 N 0.39 1.20 0.13 4.56 3.03 0.55 -4.90 118.95 123.91 1wfs s ARG 73 Ca 0.59 -0.68 0.02 0.00 2.03 0.00 0.00 55.73 57.69 1wfs s ARG 73 Cb -0.36 0.52 -0.04 0.00 -1.03 0.00 0.00 34.95 34.04 1wfs s ARG 73 CO 0.35 -0.50 0.27 -0.06 -1.13 0.00 0.00 175.30 174.23 1wfs s PHE 74 N -3.81 3.49 -0.19 5.89 0.08 0.81 -1.25 117.98 123.00 1wfs s PHE 74 Ca 0.04 0.14 -0.13 0.00 0.12 0.00 0.00 56.93 57.11 1wfs s PHE 74 Cb 0.00 -1.69 0.06 0.00 -0.57 0.00 0.00 43.02 40.83 1wfs s PHE 74 CO -0.10 0.53 0.48 0.08 -0.10 0.00 0.00 175.22 176.11 1wfs s VAL 75 N -1.69 -0.01 -0.34 -0.44 1.01 -0.35 -0.53 120.40 118.04 1wfs s VAL 75 Ca 0.35 0.05 0.04 0.00 0.00 0.00 0.00 61.98 62.42 1wfs s VAL 75 Cb -0.11 -0.69 0.10 0.00 0.00 0.00 0.00 36.38 35.68 1wfs s VAL 75 CO 0.28 0.02 0.05 -0.69 0.00 0.00 0.00 175.10 174.76 1wfs s VAL 76 N 1.08 2.27 -0.02 2.92 1.01 -0.13 0.11 120.40 127.64 1wfs s VAL 76 Ca -0.07 -2.34 -0.15 0.00 0.00 0.00 0.00 61.98 59.42 1wfs s VAL 76 Cb -0.06 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.58 1wfs s VAL 76 CO -0.10 -0.60 0.40 -0.47 0.00 0.00 0.00 175.10 174.34 1wfs s TYR 77 N 0.90 3.70 -0.44 5.22 5.04 -1.14 -1.92 117.35 128.71 1wfs s TYR 77 Ca 0.11 0.96 0.01 0.00 -2.44 0.00 0.00 57.07 55.71 1wfs s TYR 77 Cb -0.19 -2.30 0.12 0.00 0.35 0.00 0.00 41.96 39.94 1wfs s TYR 77 CO -0.08 0.60 0.20 0.45 -1.34 0.00 0.00 175.55 175.38 1wfs s SER 78 N -0.91 4.86 0.61 4.32 0.15 0.31 -2.49 113.70 120.55 1wfs s SER 78 Ca 0.23 -2.44 -0.09 0.00 0.70 0.00 0.00 55.95 54.35 1wfs s SER 78 Cb -0.16 -1.72 -0.02 0.00 -1.71 0.00 0.00 66.02 62.41 1wfs s SER 78 CO 0.13 -0.38 0.98 -0.47 1.20 0.00 0.00 173.24 174.69 1wfs s TYR 79 N 0.53 3.51 -0.36 3.44 6.14 -1.26 -3.30 117.35 126.06 1wfs s TYR 79 Ca 0.13 1.07 -0.05 0.00 0.64 0.00 0.00 57.07 58.85 1wfs s TYR 79 Cb -0.22 -2.71 0.06 0.00 0.42 0.00 0.00 41.96 39.51 1wfs s TYR 79 CO -0.04 -0.73 0.13 0.21 0.64 0.00 0.00 175.55 175.75 1wfs s LYS 80 N -5.11 2.48 -0.20 4.97 2.20 -1.26 -2.73 119.74 120.09 1wfs s LYS 80 Ca 0.54 -1.35 -0.09 0.00 -0.36 0.00 0.00 55.97 54.72 1wfs s LYS 80 Cb -0.11 -3.48 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 1wfs s LYS 80 CO 0.51 -0.77 0.10 -0.47 -0.36 0.00 0.00 175.35 174.35 1wfs s TYR 81 N 1.33 3.29 0.30 4.03 6.14 0.10 -4.97 117.35 127.58 1wfs s TYR 81 Ca -0.00 0.14 0.04 0.00 0.64 0.00 0.00 57.07 57.89 1wfs s TYR 81 Cb -0.21 -2.14 -0.02 0.00 0.42 0.00 0.00 41.96 40.01 1wfs s TYR 81 CO 0.01 0.15 0.45 0.08 0.64 0.00 0.00 175.55 176.87 1wfs s VAL 82 N 0.55 4.88 0.00 3.14 1.01 -1.26 -0.13 120.40 128.59 1wfs s VAL 82 Ca 0.05 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1wfs s VAL 82 Cb -0.12 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1wfs s VAL 82 CO 0.01 -0.34 0.00 1.41 0.00 0.00 0.00 175.10 176.17 1wfs n HIS 83 N -1.59 0.00 0.00 5.22 8.25 0.20 -4.92 115.22 122.38 1wfs n HIS 83 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1wfs n HIS 83 Cb 0.57 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.68 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 0.07 0.41 2.03 -1.26 -4.93 116.55 112.87 1wfs n ASP 84 Ca 0.00 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.38 1wfs n ASP 84 Cb 0.00 0.01 0.35 0.00 -0.72 0.00 0.00 41.12 40.76 1wfs n ASP 84 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1wfs n ASP 85 N -1.67 0.31 0.00 1.67 9.92 -1.26 -4.73 116.55 120.79 1wfs n ASP 85 Ca 0.00 0.61 0.00 0.00 -0.53 0.00 0.00 54.79 54.87 1wfs n ASP 85 Cb 0.00 -0.66 0.00 0.00 -0.64 0.00 0.00 41.12 39.82 1wfs n ASP 85 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1wfs n GLY 86 N -0.68 1.23 3.64 0.44 0.00 -1.26 -5.14 105.19 103.42 1wfs n GLY 86 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 2.75 -0.06 1.61 1.81 -1.26 -5.01 118.95 118.80 1wfs s ARG 87 Ca 0.00 -0.59 -0.02 0.00 -1.72 0.00 0.00 55.73 53.40 1wfs s ARG 87 Cb 0.00 -2.63 0.04 0.00 -0.45 0.00 0.00 34.95 31.91 1wfs s ARG 87 CO 0.00 0.64 0.11 0.54 -0.68 0.00 0.00 175.30 175.92 1wfs s VAL 88 N -0.97 -0.11 0.16 3.52 0.11 -1.26 0.61 120.40 122.46 1wfs s VAL 88 Ca 0.16 0.26 0.10 0.00 -2.93 0.00 0.00 61.98 59.57 1wfs s VAL 88 Cb -0.11 -0.21 -0.04 0.00 -1.53 0.00 0.00 36.38 34.49 1wfs s VAL 88 CO 0.06 0.11 -0.23 -0.44 -3.33 0.00 0.00 175.10 171.27 1wfs s SER 89 N 1.53 3.12 -0.66 3.54 0.01 0.81 -4.96 113.70 117.09 1wfs s SER 89 Ca -0.05 -0.82 -0.11 0.00 1.31 0.00 0.00 55.95 56.29 1wfs s SER 89 Cb -0.12 -0.21 0.17 0.00 0.21 0.00 0.00 66.02 66.07 1wfs s SER 89 CO -0.05 0.09 0.56 -0.31 0.41 0.00 0.00 173.24 173.94 1wfs s TYR 90 N -1.55 3.53 -0.78 2.43 1.51 -1.26 0.02 117.35 121.26 1wfs s TYR 90 Ca 0.16 -2.04 -0.25 0.00 -1.01 0.00 0.00 57.07 53.93 1wfs s TYR 90 Cb -0.08 -3.60 -0.04 0.00 -0.11 0.00 0.00 41.96 38.13 1wfs s TYR 90 CO 0.08 -0.96 1.91 -1.25 -1.11 0.00 0.00 175.55 174.22 1wfs s PRO 91 N 0.58 2.58 0.22 -1.71 0.04 -1.11 -4.84 135.00 130.77 1wfs s PRO 91 Ca 0.13 0.09 -0.30 0.00 0.04 0.00 0.00 61.00 60.96 1wfs s PRO 91 Cb -0.19 -4.78 -0.09 0.00 0.04 0.00 0.00 34.50 29.49 1wfs s PRO 91 CO -0.04 -3.11 1.22 -0.51 0.04 0.00 0.00 177.00 174.60 1wfs s LEU 92 N 9.67 4.46 0.09 -3.56 1.02 -1.26 -4.00 118.68 125.09 1wfs s LEU 92 Ca 0.69 2.33 0.02 0.00 0.02 0.00 0.00 54.13 57.19 1wfs s LEU 92 Cb -0.09 -3.62 -0.04 0.00 0.02 0.00 0.00 46.19 42.47 1wfs s LEU 92 CO 0.08 -0.39 -0.07 0.00 0.02 0.00 0.00 176.35 175.99 1wfs s PHE 94 N -2.90 3.27 -0.58 0.00 5.36 -0.41 -2.90 117.98 119.81 1wfs s PHE 94 Ca 0.06 -1.07 -0.20 0.00 -0.96 0.00 0.00 56.93 54.75 1wfs s PHE 94 Cb 0.00 -3.11 0.08 0.00 -0.34 0.00 0.00 43.02 39.66 1wfs s PHE 94 CO -0.03 -0.81 0.75 0.42 -1.46 0.00 0.00 175.22 174.10 1wfs s ILE 95 N 1.59 4.70 -0.79 3.12 1.01 0.29 -0.54 121.20 130.58 1wfs s ILE 95 Ca 0.04 -0.65 -0.26 0.00 0.00 0.00 0.00 60.65 59.77 1wfs s ILE 95 Cb -0.24 -4.49 0.03 0.00 0.01 0.00 0.00 42.46 37.78 1wfs s ILE 95 CO 0.06 -1.11 1.34 0.12 0.00 0.00 0.00 174.94 175.34 1wfs s PHE 96 N 3.04 2.30 -0.68 3.97 5.36 -0.56 -1.21 117.98 130.21 1wfs s PHE 96 Ca 0.16 -0.17 -0.27 0.00 -0.96 0.00 0.00 56.93 55.69 1wfs s PHE 96 Cb -0.21 -4.62 0.02 0.00 -0.34 0.00 0.00 43.02 37.87 1wfs s PHE 96 CO 0.09 -2.06 1.38 0.45 -1.46 0.00 0.00 175.22 173.62 1wfs s SER 97 N 4.14 6.06 -0.33 6.13 0.15 -0.38 -2.51 113.70 126.95 1wfs s SER 97 Ca 0.38 -0.17 -0.01 0.00 0.70 0.00 0.00 55.95 56.86 1wfs s SER 97 Cb -0.07 -2.55 0.11 0.00 -1.71 0.00 0.00 66.02 61.80 1wfs s SER 97 CO 0.10 -1.86 0.14 -0.94 1.20 0.00 0.00 173.24 171.88 1wfs s SER 98 N 4.39 3.73 1.08 5.45 1.04 -1.20 -0.33 113.70 127.86 1wfs s SER 98 Ca 0.43 -1.78 -0.07 0.00 0.48 0.00 0.00 55.95 55.02 1wfs s SER 98 Cb -0.09 -0.71 0.10 0.00 0.10 0.00 0.00 66.02 65.41 1wfs s SER 98 CO 0.18 -0.39 0.35 -0.81 0.98 0.00 0.00 173.24 173.56 1wfs n PRO 99 N 4.64 -1.71 -0.00 4.02 -0.04 -1.26 -4.44 135.00 136.21 1wfs n PRO 99 Ca 0.01 -0.56 0.02 0.00 -0.04 0.00 0.00 63.50 62.93 1wfs n PRO 99 Cb 0.40 -0.53 -0.03 0.00 -0.04 0.00 0.00 33.50 33.30 1wfs n PRO 99 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1wfs n VAL 100 N -3.27 0.00 1.71 0.52 3.14 -1.26 -4.55 118.33 114.62 1wfs n VAL 100 Ca 0.05 -0.18 0.15 0.00 -2.96 0.00 0.00 64.34 61.39 1wfs n VAL 100 Cb 0.19 0.56 0.84 0.00 -1.06 0.00 0.00 33.84 34.37 1wfs n VAL 100 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1wfs n GLY 101 N 1.94 -1.05 2.13 7.55 0.00 -1.26 -4.83 105.19 109.66 1wfs n GLY 101 Ca -0.00 -0.17 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 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 -4.56 3.30 0.17 0.00 1.02 -1.26 -4.99 119.74 113.41 1wfs s LYS 103 Ca 0.41 -0.52 0.20 0.00 0.02 0.00 0.00 55.97 56.08 1wfs s LYS 103 Cb -0.01 -2.95 0.86 0.00 -0.52 0.00 0.00 37.83 35.20 1wfs s LYS 103 CO 0.29 0.59 1.62 -0.35 -0.92 0.00 0.00 175.35 176.58 1wfs n PRO 104 N 0.23 0.13 0.07 -1.68 -0.04 -1.26 -1.93 135.00 130.52 1wfs n PRO 104 Ca -0.06 0.37 -0.15 0.00 -0.04 0.00 0.00 63.50 63.62 1wfs n PRO 104 Cb 0.52 -1.75 -0.07 0.00 -0.04 0.00 0.00 33.50 32.16 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 0.42 0.00 0.54 5.08 -2.01 -3.27 114.58 115.33 1wfs h GLU 105 Ca 0.00 -0.49 -0.07 0.00 -1.00 0.00 0.00 59.36 57.81 1wfs h GLU 105 Cb 0.32 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1wfs h GLU 105 CO 0.00 1.15 -0.70 1.96 -1.00 0.00 0.00 179.01 180.42 1wfs h GLN 106 N 0.22 0.00 -0.80 2.33 1.08 -1.93 -3.36 115.11 112.65 1wfs h GLN 106 Ca -0.10 0.00 0.32 0.00 -1.45 0.00 0.00 58.65 57.43 1wfs h GLN 106 Cb 1.66 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 28.95 1wfs h GLN 106 CO 0.18 0.30 0.39 0.94 -0.95 0.00 0.00 178.83 179.68 1wfs n GLN 107 N -4.57 -0.05 -0.19 1.46 0.00 -0.81 0.24 117.38 113.46 1wfs n GLN 107 Ca -0.14 1.11 -0.07 0.00 -0.00 0.00 0.00 57.00 57.90 1wfs n GLN 107 Cb 0.37 -1.97 0.02 0.00 0.00 0.00 0.00 30.24 28.67 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 0.74 -0.87 3.69 2.86 -1.73 0.40 114.93 120.02 1wfs h MET 108 Ca 0.66 -0.08 0.16 0.00 -2.06 0.00 0.00 59.70 58.38 1wfs h MET 108 Cb 1.71 -0.15 -0.07 0.00 0.06 0.00 0.00 31.60 33.16 1wfs h MET 108 CO -0.63 0.55 0.57 0.52 1.06 0.00 0.00 176.91 178.98 1wfs h MET 109 N 0.72 0.55 0.09 1.72 2.86 0.30 0.54 114.93 121.71 1wfs h MET 109 Ca 0.19 -0.03 -0.32 0.00 -2.06 0.00 0.00 59.70 57.48 1wfs h MET 109 Cb 0.02 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 1wfs h MET 109 CO -0.03 0.37 -1.70 1.88 1.06 0.00 0.00 176.91 178.48 1wfs h TYR 110 N 0.57 0.34 0.00 -0.22 -1.99 -1.21 -2.89 116.97 111.57 1wfs h TYR 110 Ca 0.44 -0.25 -0.07 0.00 2.00 0.00 0.00 58.73 60.86 1wfs h TYR 110 Cb 0.86 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.57 1wfs h TYR 110 CO -0.00 1.39 -0.33 0.00 -0.00 0.00 0.00 178.16 179.22 1wfs h ALA 111 N 0.51 1.19 0.00 3.88 0.00 0.80 1.05 119.26 126.69 1wfs h ALA 111 Ca -0.30 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1wfs h ALA 111 Cb 2.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1wfs h ALA 111 CO 0.12 0.41 -1.26 0.41 0.00 0.00 0.00 179.25 178.93 1wfs n GLY 112 N -0.20 -1.31 0.01 0.00 0.00 0.18 -4.18 105.19 99.68 1wfs n GLY 112 Ca -0.01 -0.33 0.08 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.47 1.17 -0.21 1.61 7.64 -1.09 -4.39 113.62 115.88 1wfs n SER 113 Ca -0.01 -0.26 -0.06 0.00 1.01 0.00 0.00 58.87 59.56 1wfs n SER 113 Cb 0.54 1.51 -0.00 0.00 -1.01 0.00 0.00 64.21 65.25 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 -0.16 -0.90 1.43 3.64 1.00 0.19 116.57 121.77 1wfs h LYS 114 Ca 0.00 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1wfs h LYS 114 Cb 0.62 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.43 1wfs h LYS 114 CO 0.00 -0.11 0.59 -0.91 -2.27 0.00 0.00 179.45 176.75 1wfs h ASN 115 N -0.17 1.00 0.44 4.20 2.35 -1.82 -0.00 115.58 121.58 1wfs h ASN 115 Ca 0.22 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 1wfs h ASN 115 Cb 0.56 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1wfs h ASN 115 CO -0.70 0.70 -0.31 -0.09 -1.65 0.00 0.00 177.43 175.38 1wfs h ARG 116 N 1.17 -0.71 0.67 0.81 9.65 -0.99 0.11 114.38 125.09 1wfs h ARG 116 Ca 0.34 0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 59.24 1wfs h ARG 116 Cb -0.06 0.16 0.01 0.00 -1.39 0.00 0.00 29.97 28.68 1wfs h ARG 116 CO -0.10 -0.47 -0.32 1.25 2.80 0.00 0.00 179.97 183.13 1wfs h LEU 117 N -0.74 -0.76 -0.55 3.80 5.85 -0.69 -2.47 115.31 119.75 1wfs h LEU 117 Ca -0.05 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.80 1wfs h LEU 117 Cb 0.62 0.20 -0.11 0.00 0.37 0.00 0.00 40.66 41.74 1wfs h LEU 117 CO 0.02 -0.53 -0.28 0.58 -0.34 0.00 0.00 178.44 177.89 1wfs h VAL 118 N -0.91 0.25 -0.88 1.05 2.07 -0.98 0.30 116.25 117.14 1wfs h VAL 118 Ca -0.09 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.60 1wfs h VAL 118 Cb 0.69 0.25 -0.07 0.00 -1.52 0.00 0.00 31.29 30.64 1wfs h VAL 118 CO 0.15 0.00 0.57 1.56 0.02 0.00 0.00 177.57 179.87 1wfs h GLN 119 N -0.13 0.55 -0.43 1.57 4.20 -0.88 -0.53 115.11 119.45 1wfs h GLN 119 Ca 0.24 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.88 1wfs h GLN 119 Cb 0.52 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1wfs h GLN 119 CO -0.64 0.36 0.13 1.15 -0.67 0.00 0.00 178.83 179.17 1wfs h THR 120 N 0.57 1.22 0.00 -0.54 2.02 0.05 -2.08 112.91 114.14 1wfs h THR 120 Ca 0.45 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1wfs h THR 120 Cb 0.90 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1wfs h THR 120 CO -0.20 0.27 0.00 0.00 0.37 0.00 0.00 175.52 175.96 1wfs n ALA 121 N -2.34 1.98 -3.33 6.16 0.00 -0.31 -4.85 120.51 117.82 1wfs n ALA 121 Ca 0.00 -0.08 -0.24 0.00 0.00 0.00 0.00 53.44 53.13 1wfs n ALA 121 Cb 0.19 -1.33 0.05 0.00 0.00 0.00 0.00 19.45 18.36 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 -1.44 -5.98 -3.06 0.00 0.00 -0.59 -4.82 120.64 104.76 1wfs n GLU 122 Ca 0.06 0.83 -0.45 0.00 0.00 0.00 0.00 57.16 57.61 1wfs n GLU 122 Cb 0.22 -5.76 -0.01 0.00 0.00 0.00 0.00 31.44 25.89 1wfs n GLU 122 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1wfs s LEU 123 N -6.96 5.50 0.32 4.31 1.43 -1.19 -4.87 118.68 117.22 1wfs s LEU 123 Ca 0.44 -2.79 0.09 0.00 -1.03 0.00 0.00 54.13 50.84 1wfs s LEU 123 Cb -0.20 -2.34 0.88 0.00 0.03 0.00 0.00 46.19 44.56 1wfs s LEU 123 CO 0.55 -0.73 1.72 0.74 0.23 0.00 0.00 176.35 178.85 1wfs h THR 124 N 4.83 0.50 -2.49 5.49 2.02 -1.91 -3.30 112.91 118.06 1wfs h THR 124 Ca 0.22 -0.18 -0.63 0.00 0.77 0.00 0.00 66.41 66.58 1wfs h THR 124 Cb 0.94 -0.07 -0.14 0.00 -1.74 0.00 0.00 68.15 67.13 1wfs h THR 124 CO 1.10 0.10 0.69 -0.54 0.37 0.00 0.00 175.52 177.24 1wfs s LYS 125 N -5.78 3.24 -0.18 6.66 1.02 -1.26 -4.99 119.74 118.45 1wfs s LYS 125 Ca -0.11 -1.00 0.01 0.00 0.02 0.00 0.00 55.97 54.89 1wfs s LYS 125 Cb 0.27 -4.44 0.02 0.00 -0.52 0.00 0.00 37.83 33.17 1wfs s LYS 125 CO 0.79 -1.85 -0.17 0.54 -0.92 0.00 0.00 175.35 173.74 1wfs s VAL 126 N 3.94 1.88 0.31 3.17 0.11 -1.24 -1.29 120.40 127.29 1wfs s VAL 126 Ca 0.27 -0.89 0.08 0.00 -2.93 0.00 0.00 61.98 58.51 1wfs s VAL 126 Cb -0.13 -1.75 -0.04 0.00 -1.53 0.00 0.00 36.38 32.93 1wfs s VAL 126 CO 0.05 0.46 0.18 -0.36 -3.33 0.00 0.00 175.10 172.10 1wfs s PHE 127 N 1.35 2.83 -0.10 1.54 0.08 0.30 -4.94 117.98 119.05 1wfs s PHE 127 Ca 0.04 -0.29 -0.00 0.00 0.12 0.00 0.00 56.93 56.79 1wfs s PHE 127 Cb -0.14 -1.59 0.02 0.00 -0.57 0.00 0.00 43.02 40.75 1wfs s PHE 127 CO -0.11 0.36 -0.07 -2.00 -0.10 0.00 0.00 175.22 173.30 1wfs s GLU 128 N -3.87 1.35 -0.20 0.44 -6.30 -1.26 -1.50 118.70 107.36 1wfs s GLU 128 Ca 0.37 -0.20 -0.11 0.00 -2.50 0.00 0.00 54.97 52.53 1wfs s GLU 128 Cb -0.05 -1.42 -0.05 0.00 0.00 0.00 0.00 34.13 32.61 1wfs s GLU 128 CO 0.24 -0.23 0.19 0.96 0.02 0.00 0.00 175.26 176.44 1wfs s ILE 129 N 1.61 5.36 -0.24 -3.70 -4.36 -1.05 -4.96 121.20 113.86 1wfs s ILE 129 Ca 0.02 0.31 0.28 0.00 -0.26 0.00 0.00 60.65 61.00 1wfs s ILE 129 Cb -0.13 -3.53 0.33 0.00 1.25 0.00 0.00 42.46 40.38 1wfs s ILE 129 CO -0.06 0.39 1.82 -0.09 0.24 0.00 0.00 174.94 177.25 1wfs h ARG 130 N 6.92 0.00 -1.63 0.37 9.65 -1.88 -3.18 114.38 124.64 1wfs h ARG 130 Ca -0.40 0.00 0.06 0.00 -1.10 0.00 0.00 59.98 58.54 1wfs h ARG 130 Cb 1.16 0.00 -0.24 0.00 -1.39 0.00 0.00 29.97 29.49 1wfs h ARG 130 CO 0.73 0.00 0.46 -0.08 2.80 0.00 0.00 179.97 183.88 1wfs s THR 131 N -3.43 0.00 0.26 0.20 -1.32 -1.26 -4.19 115.64 105.90 1wfs s THR 131 Ca 0.04 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.48 1wfs s THR 131 Cb 0.09 -1.00 0.41 0.00 -1.51 0.00 0.00 72.50 70.48 1wfs s THR 131 CO 0.53 0.00 1.42 0.35 -2.21 0.00 0.00 174.62 174.71 1wfs n THR 132 N 1.63 -0.38 -0.32 5.08 -2.24 -1.26 0.65 114.28 117.44 1wfs n THR 132 Ca -0.12 2.05 0.17 0.00 -2.27 0.00 0.00 64.05 63.88 1wfs n THR 132 Cb 0.57 -2.89 0.33 0.00 -2.10 0.00 0.00 70.33 66.23 1wfs n THR 132 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1wfs n ASP 133 N -5.43 -0.03 -0.25 3.42 8.00 -1.26 0.10 116.55 121.11 1wfs n ASP 133 Ca 0.17 1.60 0.05 0.00 0.71 0.00 0.00 54.79 57.32 1wfs n ASP 133 Cb 0.54 -0.62 0.17 0.00 -0.02 0.00 0.00 41.12 41.19 1wfs n ASP 133 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1wfs h ASP 134 N 0.00 -0.10 -0.14 -2.24 3.32 -0.20 -3.34 116.42 113.72 1wfs h ASP 134 Ca 0.62 0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.80 1wfs h ASP 134 Cb 1.36 0.24 -0.01 0.00 0.22 0.00 0.00 39.33 41.14 1wfs h ASP 134 CO -0.86 -0.08 0.28 -0.11 -1.72 0.00 0.00 179.24 176.74 1wfs n LEU 135 N -5.22 0.84 -4.18 1.55 7.94 0.29 -4.67 117.00 113.55 1wfs n LEU 135 Ca 0.14 -1.91 -0.24 0.00 -1.11 0.00 0.00 56.01 52.88 1wfs n LEU 135 Cb 0.46 -1.49 -0.15 0.00 0.53 0.00 0.00 43.42 42.78 1wfs n LEU 135 CO 0.10 -2.96 -0.50 0.42 -1.11 0.00 0.00 177.39 173.35 1wfs s THR 136 N 13.27 1.39 0.28 1.96 -4.23 -1.26 -4.66 115.64 122.40 1wfs s THR 136 Ca 0.79 -0.90 -0.01 0.00 -1.18 0.00 0.00 61.69 60.38 1wfs s THR 136 Cb -0.13 -1.18 0.41 0.00 1.34 0.00 0.00 72.50 72.94 1wfs s THR 136 CO 0.16 0.27 1.48 1.21 -0.54 0.00 0.00 174.62 177.20 1wfs n GLU 137 N 2.31 -0.08 0.27 3.99 2.13 -1.26 -0.94 120.64 127.06 1wfs n GLU 137 Ca -0.16 1.44 -0.11 0.00 0.66 0.00 0.00 57.16 58.99 1wfs n GLU 137 Cb 0.54 -2.24 -0.05 0.00 0.27 0.00 0.00 31.44 29.96 1wfs n GLU 137 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1wfs h THR 138 N 0.00 0.00 -0.71 6.31 2.02 -1.95 -1.80 112.91 116.78 1wfs h THR 138 Ca 0.54 -0.32 0.21 0.00 0.77 0.00 0.00 66.41 67.60 1wfs h THR 138 Cb 1.02 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1wfs h THR 138 CO -0.92 0.00 1.00 -0.25 0.37 0.00 0.00 175.52 175.72 1wfs h TRP 139 N -1.05 0.00 0.00 3.16 7.01 -1.43 0.17 115.95 123.81 1wfs h TRP 139 Ca -0.07 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.93 1wfs h TRP 139 Cb 0.56 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.62 1wfs h TRP 139 CO 0.02 0.00 -0.15 1.25 -2.79 0.00 0.00 178.44 176.77 1wfs h LEU 140 N 0.00 0.00 -1.20 0.65 5.85 -0.88 -3.33 115.31 116.40 1wfs h LEU 140 Ca 0.34 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.06 1wfs h LEU 140 Cb 2.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.37 1wfs h LEU 140 CO -0.00 0.42 0.20 0.11 -0.34 0.00 0.00 178.44 178.83 1wfs h LYS 141 N -0.69 0.00 0.09 1.25 1.57 -0.23 -1.25 116.57 117.31 1wfs h LYS 141 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wfs h LYS 141 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1wfs h LYS 141 CO 0.00 0.00 -0.04 0.93 -0.57 0.00 0.00 179.45 179.77 1wfs h GLU 142 N 0.00 -0.11 -0.51 3.15 5.08 -0.86 0.50 114.58 121.82 1wfs h GLU 142 Ca 0.00 0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1wfs h GLU 142 Cb 0.41 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1wfs h GLU 142 CO 0.00 0.36 0.03 0.87 -1.00 0.00 0.00 179.01 179.27 1wfs h LYS 143 N -0.65 0.84 0.04 2.33 1.79 -1.34 -3.14 116.57 116.44 1wfs h LYS 143 Ca -0.01 -0.22 -0.00 0.00 -2.18 0.00 0.00 60.65 58.24 1wfs h LYS 143 Cb 0.53 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1wfs h LYS 143 CO 0.02 0.82 -0.02 -0.07 -1.08 0.00 0.00 179.45 179.12 1wfs h LEU 144 N 0.78 -0.05 -0.07 2.94 3.38 -1.54 -2.77 115.31 117.98 1wfs h LEU 144 Ca 0.16 -0.45 0.01 0.00 0.09 0.00 0.00 57.88 57.68 1wfs h LEU 144 Cb 0.43 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1wfs h LEU 144 CO 0.02 0.44 -0.04 0.00 0.09 0.00 0.00 178.44 178.94 1wfs n ALA 145 N -2.38 -0.05 -2.48 1.53 0.00 0.16 -4.50 120.51 112.80 1wfs n ALA 145 Ca -0.08 0.06 -0.01 0.00 0.00 0.00 0.00 53.44 53.41 1wfs n ALA 145 Cb 0.26 0.33 0.04 0.00 0.00 0.00 0.00 19.45 20.07 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 -2.97 -0.45 -0.14 0.00 2.88 -1.23 -5.11 113.62 106.61 1wfs n SER 146 Ca 0.00 -1.32 0.00 0.00 -1.33 0.00 0.00 58.87 56.23 1wfs n SER 146 Cb 0.02 0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 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 -0.45 -3.00 3.63 0.46 0.00 -1.05 -4.85 105.19 99.94 1wfs n GLY 147 Ca -0.06 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 1wfs n GLY 147 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfs s PRO 148 N -4.84 3.82 -0.04 1.61 0.04 -1.26 -4.83 135.00 129.50 1wfs s PRO 148 Ca 0.00 1.68 0.05 0.00 0.04 0.00 0.00 61.00 62.77 1wfs s PRO 148 Cb 0.00 -4.03 -0.01 0.00 0.04 0.00 0.00 34.50 30.51 1wfs s PRO 148 CO 0.00 -1.27 -0.19 0.45 0.04 0.00 0.00 177.00 176.04 1wfs s SER 149 N 4.14 2.33 -0.19 6.66 0.15 -1.26 -5.13 113.70 120.41 1wfs s SER 149 Ca 0.71 -0.38 -0.09 0.00 0.70 0.00 0.00 55.95 56.89 1wfs s SER 149 Cb -0.25 -0.55 -0.05 0.00 -1.71 0.00 0.00 66.02 63.46 1wfs s SER 149 CO 0.29 0.19 0.13 -0.94 1.20 0.00 0.00 173.24 174.11 1wfs s SER 150 N -0.12 6.23 0.00 5.45 1.04 -1.26 -5.24 113.70 119.80 1wfs s SER 150 Ca -0.01 0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.69 1wfs s SER 150 Cb -0.11 -2.08 0.00 0.00 0.10 0.00 0.00 66.02 63.93 1wfs s SER 150 CO 0.02 0.22 0.44 0.61 0.98 0.00 0.00 173.24 175.51