#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 -8.85 -3.65 1.61 7.64 -1.26 -5.01 113.62 104.10 1wfs n SER 2 Ca 0.00 1.79 -0.29 0.00 1.01 0.00 0.00 58.87 61.37 1wfs n SER 2 Cb 0.00 -4.96 -0.14 0.00 -1.01 0.00 0.00 64.21 58.10 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 -0.55 3.72 -0.30 6.43 0.15 -1.26 -5.07 113.70 116.83 1wfs s SER 3 Ca 0.00 -1.75 -0.02 0.00 0.70 0.00 0.00 55.95 54.88 1wfs s SER 3 Cb 0.00 -0.70 0.19 0.00 -1.71 0.00 0.00 66.02 63.80 1wfs s SER 3 CO 0.00 -0.39 0.71 -0.83 1.20 0.00 0.00 173.24 173.93 1wfs s GLY 4 N 1.50 -0.96 0.32 9.45 0.00 -1.26 -5.17 107.32 111.21 1wfs s GLY 4 Ca 0.12 1.80 0.06 0.00 0.00 0.00 0.00 44.72 46.69 1wfs s GLY 4 CO -0.22 3.60 0.46 -0.45 0.00 0.00 0.00 173.10 176.49 1wfs s SER 5 N 2.87 6.05 -0.87 1.64 0.15 -1.26 -5.06 113.70 117.23 1wfs s SER 5 Ca 0.15 -0.08 -0.15 0.00 0.70 0.00 0.00 55.95 56.57 1wfs s SER 5 Cb -0.12 -1.41 0.20 0.00 -1.71 0.00 0.00 66.02 62.98 1wfs s SER 5 CO -0.21 -0.37 0.87 -0.55 1.20 0.00 0.00 173.24 174.18 1wfs s SER 6 N -4.13 6.76 -0.19 5.45 0.15 -1.26 -4.78 113.70 115.70 1wfs s SER 6 Ca 0.43 -2.58 -0.06 0.00 0.70 0.00 0.00 55.95 54.44 1wfs s SER 6 Cb -0.09 -2.26 0.02 0.00 -1.71 0.00 0.00 66.02 61.98 1wfs s SER 6 CO 0.31 -0.67 0.11 0.61 1.20 0.00 0.00 173.24 174.80 1wfs n GLY 7 N 4.27 -3.88 0.00 9.45 0.00 -1.26 -5.06 105.19 108.71 1wfs n GLY 7 Ca 0.17 0.97 0.00 0.00 0.00 0.00 0.00 46.02 47.16 1wfs n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wfs n SER 8 N 1.41 0.00 -1.76 1.61 3.41 -1.26 -5.15 113.62 111.88 1wfs n SER 8 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 1wfs n SER 8 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1wfs n SER 8 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1wfs n ASP 9 N 0.00 -7.50 -4.76 4.04 8.00 -1.26 -4.90 116.55 110.17 1wfs n ASP 9 Ca 0.00 1.11 -0.41 0.00 0.71 0.00 0.00 54.79 56.20 1wfs n ASP 9 Cb 0.00 -4.20 -0.02 0.00 -0.02 0.00 0.00 41.12 36.87 1wfs n ASP 9 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1wfs s SER 10 N -0.41 6.83 0.00 -2.24 1.04 -1.26 -5.01 113.70 112.66 1wfs s SER 10 Ca 0.00 2.62 0.00 0.00 0.48 0.00 0.00 55.95 59.05 1wfs s SER 10 Cb 0.00 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.48 1wfs s SER 10 CO 0.00 -0.50 0.00 0.18 0.98 0.00 0.00 173.24 173.90 1wfs n LEU 11 N 1.04 0.00 -2.28 2.42 4.77 -1.26 -5.05 117.00 116.65 1wfs n LEU 11 Ca 0.01 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.66 1wfs n LEU 11 Cb 0.42 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.60 1wfs n LEU 11 CO 0.59 0.00 1.33 0.52 -1.33 0.00 0.00 177.39 178.50 1wfs n VAL 12 N 0.00 3.49 -1.14 4.08 0.31 -1.26 -5.00 118.33 118.81 1wfs n VAL 12 Ca 0.00 -2.90 -0.39 0.00 -0.01 0.00 0.00 64.34 61.04 1wfs n VAL 12 Cb 0.00 -1.06 -0.11 0.00 -0.91 0.00 0.00 33.84 31.76 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 -0.94 0.00 -3.05 2.52 0.31 -1.26 -4.76 118.33 111.14 1wfs n VAL 13 Ca 0.61 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.78 1wfs n VAL 13 Cb 0.81 -0.40 0.05 0.00 -0.91 0.00 0.00 33.84 33.39 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 -4.09 2.55 -0.50 0.00 -1.05 -1.16 -4.91 118.70 109.53 1wfs s GLU 15 Ca 0.48 -1.50 -0.16 0.00 -0.15 0.00 0.00 54.97 53.63 1wfs s GLU 15 Cb -0.04 -2.36 0.08 0.00 -0.44 0.00 0.00 34.13 31.37 1wfs s GLU 15 CO 0.31 -0.11 0.47 0.08 0.95 0.00 0.00 175.26 176.96 1wfs s VAL 16 N -2.44 5.14 0.16 1.83 1.01 -1.26 -0.19 120.40 124.65 1wfs s VAL 16 Ca 0.46 -1.03 -0.19 0.00 0.00 0.00 0.00 61.98 61.21 1wfs s VAL 16 Cb -0.03 -4.22 -0.12 0.00 0.00 0.00 0.00 36.38 32.01 1wfs s VAL 16 CO 0.27 -0.70 0.33 -0.67 0.00 0.00 0.00 175.10 174.33 1wfs n ASP 17 N 5.45 -1.04 0.17 3.32 -0.08 -0.51 -4.60 116.55 119.25 1wfs n ASP 17 Ca -0.11 0.78 0.01 0.00 -1.51 0.00 0.00 54.79 53.95 1wfs n ASP 17 Cb 0.43 -0.67 0.28 0.00 2.34 0.00 0.00 41.12 43.50 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 0.00 0.00 -0.67 0.13 -1.96 -0.24 132.00 129.91 1wfs h PRO 18 Ca -0.21 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.82 1wfs h PRO 18 Cb 1.03 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 1wfs h PRO 18 CO 0.40 0.47 -0.48 1.05 -0.23 0.00 0.00 178.00 179.21 1wfs h GLU 19 N 0.00 0.00 0.12 0.86 -0.00 -1.95 -3.30 114.58 110.32 1wfs h GLU 19 Ca -0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 59.36 59.02 1wfs h GLU 19 Cb 0.85 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.59 1wfs h GLU 19 CO 0.06 0.48 -1.81 1.25 -0.00 0.00 0.00 179.01 178.99 1wfs h LEU 20 N 0.00 0.40 -0.99 3.06 6.46 -1.82 -3.35 115.31 119.07 1wfs h LEU 20 Ca -0.00 -0.89 0.31 0.00 -0.12 0.00 0.00 57.88 57.17 1wfs h LEU 20 Cb 1.17 -0.13 -0.18 0.00 -0.73 0.00 0.00 40.66 40.79 1wfs h LEU 20 CO 0.06 1.78 0.18 0.50 -0.62 0.00 0.00 178.44 180.34 1wfs h LYS 21 N -0.09 0.02 -0.37 1.25 3.64 -1.12 0.74 116.57 120.64 1wfs h LYS 21 Ca -0.39 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.93 1wfs h LYS 21 Cb 1.93 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.73 1wfs h LYS 21 CO 0.07 0.01 0.02 0.93 -2.27 0.00 0.00 179.45 178.21 1wfs h GLU 22 N 0.02 0.64 -1.03 1.90 5.08 -1.73 -2.88 114.58 116.59 1wfs h GLU 22 Ca 0.66 -0.19 0.26 0.00 -1.00 0.00 0.00 59.36 59.09 1wfs h GLU 22 Cb 1.49 -0.06 -0.11 0.00 0.50 0.00 0.00 28.75 30.56 1wfs h GLU 22 CO -0.86 0.74 0.64 1.15 -1.00 0.00 0.00 179.01 179.67 1wfs h THR 23 N 0.47 0.51 0.14 1.13 2.02 0.34 0.28 112.91 117.80 1wfs h THR 23 Ca 0.11 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1wfs h THR 23 Cb 0.43 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1wfs h THR 23 CO 0.02 0.09 -0.07 -0.07 0.37 0.00 0.00 175.52 175.86 1wfs h LEU 24 N 0.47 -0.15 -1.76 2.58 3.38 -1.25 0.97 115.31 119.56 1wfs h LEU 24 Ca 0.63 -0.37 0.06 0.00 0.09 0.00 0.00 57.88 58.29 1wfs h LEU 24 Cb 1.41 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.18 1wfs h LEU 24 CO -0.40 0.34 0.27 -0.09 0.09 0.00 0.00 178.44 178.66 1wfs h ARG 25 N -0.71 0.29 0.22 1.13 2.43 -1.02 -1.75 114.38 114.97 1wfs h ARG 25 Ca -0.02 -0.02 -0.32 0.00 -0.81 0.00 0.00 59.98 58.81 1wfs h ARG 25 Cb 0.52 -0.06 0.03 0.00 -0.42 0.00 0.00 29.97 30.04 1wfs h ARG 25 CO 0.03 0.19 -1.42 0.87 -1.51 0.00 0.00 179.97 178.13 1wfs h LYS 26 N 0.29 0.48 -0.89 0.20 1.79 -0.48 -3.06 116.57 114.91 1wfs h LYS 26 Ca 0.18 -0.82 0.04 0.00 -2.18 0.00 0.00 60.65 57.86 1wfs h LYS 26 Cb 0.32 0.30 -0.05 0.00 -1.58 0.00 0.00 32.23 31.22 1wfs h LYS 26 CO -0.04 1.39 0.59 0.35 -1.08 0.00 0.00 179.45 180.66 1wfs h PHE 27 N 0.14 1.08 0.00 -1.35 3.57 0.03 1.91 116.94 122.31 1wfs h PHE 27 Ca -0.23 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.18 1wfs h PHE 27 Cb 2.12 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 40.48 1wfs h PHE 27 CO 0.11 0.62 -0.59 0.00 -2.23 0.00 0.00 178.31 176.23 1wfs h ARG 28 N 1.11 0.00 -0.71 1.11 3.08 -1.44 -3.27 114.38 114.26 1wfs h ARG 28 Ca 0.36 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.94 1wfs h ARG 28 Cb 0.03 0.00 -0.42 0.00 0.08 0.00 0.00 29.97 29.66 1wfs h ARG 28 CO -0.11 0.59 -0.91 1.19 -1.07 0.00 0.00 179.97 179.66 1wfs n PHE 29 N -3.63 2.34 -1.81 3.04 3.72 -0.53 -5.08 117.46 115.51 1wfs n PHE 29 Ca -0.01 -2.27 -0.29 0.00 -0.05 0.00 0.00 57.45 54.84 1wfs n PHE 29 Cb 0.63 -0.29 0.13 0.00 -0.94 0.00 0.00 39.48 39.00 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 -3.64 1.38 -0.59 -1.08 1.70 0.64 -4.87 118.95 112.48 1wfs s ARG 30 Ca 0.44 0.01 0.00 0.00 -0.47 0.00 0.00 55.73 55.71 1wfs s ARG 30 Cb 0.39 -1.89 0.49 0.00 -0.57 0.00 0.00 34.95 33.37 1wfs s ARG 30 CO 0.00 -1.98 1.95 1.63 -1.08 0.00 0.00 175.30 175.82 1wfs n LYS 31 N -3.56 2.64 -3.98 3.89 4.76 -1.26 -4.96 118.16 115.69 1wfs n LYS 31 Ca 0.10 -3.29 -0.27 0.00 -2.87 0.00 0.00 58.31 51.98 1wfs n LYS 31 Cb 0.60 -2.26 -0.01 0.00 -1.84 0.00 0.00 35.03 31.52 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 -3.70 2.25 0.00 1.97 0.41 -1.26 -5.07 118.70 113.31 1wfs s GLU 32 Ca 0.62 -2.05 0.08 0.00 -0.41 0.00 0.00 54.97 53.21 1wfs s GLU 32 Cb 0.50 -2.04 0.14 0.00 -1.78 0.00 0.00 34.13 30.94 1wfs s GLU 32 CO 0.02 -0.58 1.05 0.25 -0.49 0.00 0.00 175.26 175.50 1wfs n THR 33 N -1.70 0.00 -4.38 3.63 -2.24 -1.26 -5.13 114.28 103.19 1wfs n THR 33 Ca -0.03 -0.32 -0.20 0.00 -2.27 0.00 0.00 64.05 61.23 1wfs n THR 33 Cb 0.64 0.65 -0.09 0.00 -2.10 0.00 0.00 70.33 69.43 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 -1.30 1.86 -0.06 3.42 4.22 -1.26 -5.10 114.94 116.71 1wfs s ASN 34 Ca 0.11 -1.55 -0.30 0.00 -2.14 0.00 0.00 52.86 48.98 1wfs s ASN 34 Cb 0.12 0.34 -0.03 0.00 1.28 0.00 0.00 41.25 42.97 1wfs s ASN 34 CO -0.05 -0.86 1.11 0.20 -2.04 0.00 0.00 177.10 175.46 1wfs s ASN 35 N -3.43 7.15 0.06 3.54 0.01 -1.26 -4.83 114.94 116.19 1wfs s ASN 35 Ca 0.34 1.70 -0.00 0.00 -0.71 0.00 0.00 52.86 54.18 1wfs s ASN 35 Cb 0.05 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 39.11 1wfs s ASN 35 CO 0.17 -0.50 -0.04 0.00 -1.51 0.00 0.00 177.10 175.22 1wfs s ALA 36 N 1.98 0.58 0.04 0.60 0.00 -1.16 0.29 121.76 124.09 1wfs s ALA 36 Ca 0.53 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 51.32 1wfs s ALA 36 Cb -0.22 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 1wfs s ALA 36 CO 0.21 -0.32 -0.06 0.00 0.00 0.00 0.00 175.76 175.60 1wfs s ALA 37 N -3.60 0.48 -0.22 0.00 0.00 0.66 0.11 121.76 119.18 1wfs s ALA 37 Ca 0.06 -0.80 -0.02 0.00 0.00 0.00 0.00 51.96 51.20 1wfs s ALA 37 Cb 0.06 0.10 0.07 0.00 0.00 0.00 0.00 23.12 23.34 1wfs s ALA 37 CO -0.08 -0.10 0.03 0.42 0.00 0.00 0.00 175.76 176.03 1wfs s ILE 38 N -1.76 0.80 -0.38 0.00 1.01 -0.83 -1.65 121.20 118.39 1wfs s ILE 38 Ca -0.09 -0.85 -0.21 0.00 0.00 0.00 0.00 60.65 59.51 1wfs s ILE 38 Cb -0.08 -1.31 0.01 0.00 0.01 0.00 0.00 42.46 41.09 1wfs s ILE 38 CO -0.01 -0.27 0.64 -0.63 0.00 0.00 0.00 174.94 174.67 1wfs s ILE 39 N 1.72 4.87 0.03 2.92 1.01 -0.33 -1.30 121.20 130.10 1wfs s ILE 39 Ca -0.00 0.47 0.04 0.00 0.00 0.00 0.00 60.65 61.16 1wfs s ILE 39 Cb -0.18 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 1wfs s ILE 39 CO -0.11 -0.39 -0.06 -0.04 0.00 0.00 0.00 174.94 174.34 1wfs s MET 40 N 2.75 2.51 0.46 2.79 -1.94 0.84 -0.05 119.30 126.66 1wfs s MET 40 Ca 0.24 -0.77 0.03 0.00 -1.71 0.00 0.00 55.69 53.48 1wfs s MET 40 Cb -0.14 -2.49 -0.03 0.00 2.01 0.00 0.00 34.83 34.18 1wfs s MET 40 CO 0.16 0.58 0.05 -1.59 -0.01 0.00 0.00 175.02 174.21 1wfs s LYS 41 N -1.62 2.05 -0.19 2.03 -2.85 -0.06 -0.45 119.74 118.66 1wfs s LYS 41 Ca 0.19 -2.27 -0.00 0.00 -1.00 0.00 0.00 55.97 52.88 1wfs s LYS 41 Cb -0.11 -1.21 0.05 0.00 -2.06 0.00 0.00 37.83 34.49 1wfs s LYS 41 CO 0.10 -0.35 -0.05 0.54 0.10 0.00 0.00 175.35 175.69 1wfs s VAL 42 N -2.99 1.19 -0.18 1.79 0.11 -1.26 0.60 120.40 119.65 1wfs s VAL 42 Ca 0.16 -0.80 -0.29 0.00 -2.93 0.00 0.00 61.98 58.12 1wfs s VAL 42 Cb 0.03 -1.42 -0.02 0.00 -1.53 0.00 0.00 36.38 33.45 1wfs s VAL 42 CO 0.09 0.03 1.32 -1.81 -3.33 0.00 0.00 175.10 171.40 1wfs s ASP 43 N 1.58 6.85 0.57 3.54 1.01 -0.52 -4.86 116.67 124.84 1wfs s ASP 43 Ca -0.01 1.65 0.33 0.00 0.71 0.00 0.00 52.55 55.23 1wfs s ASP 43 Cb -0.16 -2.54 1.73 0.00 1.01 0.00 0.00 42.92 42.95 1wfs s ASP 43 CO -0.07 -0.85 2.15 0.50 0.21 0.00 0.00 175.17 177.11 1wfs h LYS 44 N 8.62 0.00 -0.02 8.23 3.64 -1.96 1.18 116.57 136.26 1wfs h LYS 44 Ca -0.28 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 58.90 1wfs h LYS 44 Cb 1.11 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.95 1wfs h LYS 44 CO 0.98 0.06 -0.77 0.22 -2.27 0.00 0.00 179.45 177.66 1wfs h ASP 45 N 0.00 0.72 -0.33 4.20 3.58 -1.97 -3.27 116.42 119.35 1wfs h ASP 45 Ca -0.00 -0.73 0.00 0.00 0.42 0.00 0.00 57.03 56.72 1wfs h ASP 45 Cb 0.25 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.08 1wfs h ASP 45 CO 0.01 1.35 0.00 0.54 -2.88 0.00 0.00 179.24 178.26 1wfs n ARG 46 N -4.06 2.33 -3.94 0.28 1.74 -0.95 -4.97 116.66 107.08 1wfs n ARG 46 Ca -0.10 -2.14 -0.25 0.00 -0.77 0.00 0.00 57.85 54.59 1wfs n ARG 46 Cb 0.75 -1.46 -0.07 0.00 -1.02 0.00 0.00 32.46 30.66 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 1.31 -0.91 -3.88 5.56 1.13 0.40 -4.90 117.38 116.10 1wfs n GLN 47 Ca 0.17 0.06 -0.10 0.00 -1.94 0.00 0.00 57.00 55.19 1wfs n GLN 47 Cb 0.56 -2.74 -0.09 0.00 0.11 0.00 0.00 30.24 28.08 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 -6.50 0.66 -0.38 -1.09 0.23 -1.15 -2.98 119.30 108.09 1wfs s MET 48 Ca 0.03 -0.69 -0.23 0.00 -1.03 0.00 0.00 55.69 53.76 1wfs s MET 48 Cb -0.02 0.27 0.01 0.00 -1.53 0.00 0.00 34.83 33.57 1wfs s MET 48 CO 0.79 -0.18 0.79 0.08 -2.03 0.00 0.00 175.02 174.46 1wfs s VAL 49 N -2.66 4.71 -0.01 5.16 1.01 0.73 -1.43 120.40 127.91 1wfs s VAL 49 Ca -0.04 0.81 0.07 0.00 0.00 0.00 0.00 61.98 62.82 1wfs s VAL 49 Cb -0.01 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 1wfs s VAL 49 CO -0.05 -0.49 -0.23 0.68 0.00 0.00 0.00 175.10 175.01 1wfs s VAL 50 N 3.14 1.86 0.41 2.92 -7.23 0.20 -1.43 120.40 120.27 1wfs s VAL 50 Ca 0.31 -1.05 -0.24 0.00 -1.81 0.00 0.00 61.98 59.19 1wfs s VAL 50 Cb -0.13 -1.55 -0.12 0.00 0.56 0.00 0.00 36.38 35.14 1wfs s VAL 50 CO 0.18 0.48 0.78 -0.11 -0.31 0.00 0.00 175.10 176.12 1wfs n LEU 51 N 2.38 1.26 -0.02 1.32 7.94 -1.26 -0.88 117.00 127.74 1wfs n LEU 51 Ca -0.16 0.98 -0.04 0.00 -1.11 0.00 0.00 56.01 55.68 1wfs n LEU 51 Cb 0.52 -1.23 -0.02 0.00 0.53 0.00 0.00 43.42 43.22 1wfs n LEU 51 CO 0.23 -2.18 -0.66 1.21 -1.11 0.00 0.00 177.39 174.88 1wfs n GLU 52 N 0.38 0.12 -3.57 1.96 4.07 0.93 -4.65 120.64 119.88 1wfs n GLU 52 Ca 0.11 0.03 -0.11 0.00 -0.06 0.00 0.00 57.16 57.14 1wfs n GLU 52 Cb 0.38 -0.96 -0.03 0.00 -0.06 0.00 0.00 31.44 30.78 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 -4.80 -0.42 -0.20 4.31 1.01 -0.10 -5.01 116.67 111.46 1wfs s ASP 53 Ca -0.07 -0.22 -0.04 0.00 0.71 0.00 0.00 52.55 52.94 1wfs s ASP 53 Cb 0.02 0.59 0.09 0.00 1.01 0.00 0.00 42.92 44.63 1wfs s ASP 53 CO 0.10 -1.01 0.22 -1.61 0.21 0.00 0.00 175.17 173.08 1wfs s GLU 54 N -3.80 0.19 -0.15 8.23 2.02 -1.26 -1.19 118.70 122.72 1wfs s GLU 54 Ca 0.04 0.25 -0.04 0.00 0.02 0.00 0.00 54.97 55.24 1wfs s GLU 54 Cb -0.01 -1.11 -0.03 0.00 0.10 0.00 0.00 34.13 33.08 1wfs s GLU 54 CO -0.08 -0.63 -0.03 -0.51 0.02 0.00 0.00 175.26 174.03 1wfs s LEU 55 N 2.33 3.32 0.25 1.80 1.43 -0.66 -5.00 118.68 122.16 1wfs s LEU 55 Ca 0.07 -0.10 0.09 0.00 -1.03 0.00 0.00 54.13 53.16 1wfs s LEU 55 Cb -0.15 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1wfs s LEU 55 CO -0.12 0.18 0.05 -1.10 0.23 0.00 0.00 176.35 175.59 1wfs s GLN 56 N 0.31 2.48 -1.30 1.70 1.11 -1.26 -0.24 119.66 122.45 1wfs s GLN 56 Ca -0.03 -1.29 -0.16 0.00 0.01 0.00 0.00 55.36 53.89 1wfs s GLN 56 Cb -0.14 -2.29 0.01 0.00 -1.01 0.00 0.00 33.01 29.59 1wfs s GLN 56 CO 0.03 0.38 0.53 0.27 0.01 0.00 0.00 175.29 176.51 1wfs n ASN 57 N -0.90 -2.64 -4.13 5.90 0.23 0.15 -4.92 115.26 108.93 1wfs n ASN 57 Ca -0.07 -1.14 -0.24 0.00 -0.53 0.00 0.00 54.58 52.59 1wfs n ASN 57 Cb 0.58 -2.51 -0.16 0.00 -2.08 0.00 0.00 39.78 35.62 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 -3.76 1.30 0.78 1.53 -1.16 -0.22 -4.96 121.20 114.70 1wfs s ILE 58 Ca 0.28 -0.68 -0.10 0.00 -0.51 0.00 0.00 60.65 59.64 1wfs s ILE 58 Cb -0.13 -1.09 0.07 0.00 0.61 0.00 0.00 42.46 41.92 1wfs s ILE 58 CO 0.92 0.37 1.13 -0.44 -2.81 0.00 0.00 174.94 174.12 1wfs s SER 59 N -0.21 4.61 0.00 4.50 0.01 -1.26 -4.48 113.70 116.86 1wfs s SER 59 Ca 0.03 0.70 0.10 0.00 1.31 0.00 0.00 55.95 58.09 1wfs s SER 59 Cb -0.08 -1.24 0.62 0.00 0.21 0.00 0.00 66.02 65.53 1wfs s SER 59 CO 0.00 -1.81 1.06 -0.81 0.41 0.00 0.00 173.24 172.10 1wfs n PRO 60 N -3.20 0.49 -0.01 12.44 -0.04 -1.26 -2.01 135.00 141.41 1wfs n PRO 60 Ca 0.08 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.61 1wfs n PRO 60 Cb 0.61 -1.33 -0.13 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.83 0.60 -0.01 0.54 1.02 -1.26 -4.07 120.64 116.63 1wfs n GLU 61 Ca 0.08 -0.14 -0.21 0.00 -0.02 0.00 0.00 57.16 56.87 1wfs n GLU 61 Cb 0.04 -1.40 -0.14 0.00 -0.02 0.00 0.00 31.44 29.92 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 0.22 -0.31 3.49 3.07 -1.77 -3.34 114.58 115.94 1wfs h GLU 62 Ca -0.04 -0.37 0.07 0.00 -0.50 0.00 0.00 59.36 58.51 1wfs h GLU 62 Cb 0.88 0.14 -0.07 0.00 -0.84 0.00 0.00 28.75 28.86 1wfs h GLU 62 CO 0.00 1.18 -0.16 1.25 -1.40 0.00 0.00 179.01 179.88 1wfs h LEU 63 N -0.32 -0.55 -0.91 1.33 6.46 -1.78 -0.54 115.31 119.01 1wfs h LEU 63 Ca -0.33 0.13 0.17 0.00 -0.12 0.00 0.00 57.88 57.73 1wfs h LEU 63 Cb 1.75 0.29 -0.10 0.00 -0.73 0.00 0.00 40.66 41.87 1wfs h LEU 63 CO 0.03 -0.20 0.49 0.50 -0.62 0.00 0.00 178.44 178.64 1wfs h LYS 64 N -0.12 0.62 -0.35 1.25 3.64 -1.76 0.10 116.57 119.95 1wfs h LYS 64 Ca 0.16 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.39 1wfs h LYS 64 Cb 0.37 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1wfs h LYS 64 CO -0.39 0.41 -0.23 -0.07 -2.27 0.00 0.00 179.45 176.90 1wfs h LEU 65 N 0.64 0.70 -1.25 5.20 3.38 -1.29 -2.80 115.31 119.88 1wfs h LEU 65 Ca 0.52 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 58.17 1wfs h LEU 65 Cb 0.79 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1wfs h LEU 65 CO -0.39 0.91 -0.21 -0.33 0.09 0.00 0.00 178.44 178.51 1wfs h GLU 66 N 0.61 0.25 -7.13 1.13 4.39 0.61 -3.44 114.58 111.01 1wfs h GLU 66 Ca 0.09 -0.07 -0.50 0.00 0.34 0.00 0.00 59.36 59.21 1wfs h GLU 66 Cb 0.72 -0.03 0.07 0.00 -0.10 0.00 0.00 28.75 29.41 1wfs h GLU 66 CO 0.06 0.46 0.40 -0.51 -1.16 0.00 0.00 179.01 178.26 1wfs s LEU 67 N -8.62 3.65 0.00 1.33 1.43 -0.44 -5.05 118.68 110.97 1wfs s LEU 67 Ca -0.05 2.05 0.00 0.00 -1.03 0.00 0.00 54.13 55.10 1wfs s LEU 67 Cb 0.15 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.80 1wfs s LEU 67 CO 0.75 -1.24 0.00 -0.81 0.23 0.00 0.00 176.35 175.27 1wfs n PRO 68 N -1.61 -0.32 -0.00 1.29 -0.04 -1.26 -4.98 135.00 128.08 1wfs n PRO 68 Ca 0.11 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.59 1wfs n PRO 68 Cb 0.52 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.94 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 -0.98 0.46 -2.70 0.54 0.28 -1.26 -4.79 120.64 112.19 1wfs n GLU 69 Ca 0.00 -0.04 -0.06 0.00 -0.16 0.00 0.00 57.16 56.90 1wfs n GLU 69 Cb 0.00 -1.09 0.09 0.00 1.43 0.00 0.00 31.44 31.87 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 -1.64 1.29 -3.67 3.44 -4.01 -1.26 -4.57 116.66 106.25 1wfs n ARG 70 Ca -0.01 -2.26 -0.28 0.00 -1.04 0.00 0.00 57.85 54.27 1wfs n ARG 70 Cb 0.13 -0.43 -0.16 0.00 -3.04 0.00 0.00 32.46 28.95 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 -1.14 0.44 0.10 2.89 -0.21 -1.26 -4.41 119.66 116.08 1wfs s GLN 71 Ca 0.21 -0.51 -0.31 0.00 0.02 0.00 0.00 55.36 54.78 1wfs s GLN 71 Cb 0.42 -1.82 -0.08 0.00 1.00 0.00 0.00 33.01 32.53 1wfs s GLN 71 CO -0.06 -0.80 1.36 -1.25 -2.12 0.00 0.00 175.29 172.42 1wfs s PRO 72 N 1.92 4.33 0.28 2.91 0.04 -1.26 -4.75 135.00 138.48 1wfs s PRO 72 Ca 0.04 2.03 -0.20 0.00 0.04 0.00 0.00 61.00 62.91 1wfs s PRO 72 Cb -0.17 -3.27 0.05 0.00 0.04 0.00 0.00 34.50 31.15 1wfs s PRO 72 CO -0.18 -0.42 0.82 -0.98 0.04 0.00 0.00 177.00 176.29 1wfs s ARG 73 N 1.13 1.79 0.07 4.56 1.70 -1.03 -4.92 118.95 122.26 1wfs s ARG 73 Ca 0.64 -1.07 -0.02 0.00 -0.47 0.00 0.00 55.73 54.80 1wfs s ARG 73 Cb -0.36 0.55 -0.05 0.00 -0.57 0.00 0.00 34.95 34.53 1wfs s ARG 73 CO 0.30 -0.83 0.26 -0.06 -1.08 0.00 0.00 175.30 173.90 1wfs s PHE 74 N -3.05 3.52 -0.21 5.89 0.08 0.41 -2.34 117.98 122.28 1wfs s PHE 74 Ca 0.14 0.39 -0.08 0.00 0.12 0.00 0.00 56.93 57.51 1wfs s PHE 74 Cb -0.04 -1.87 0.09 0.00 -0.57 0.00 0.00 43.02 40.63 1wfs s PHE 74 CO 0.08 0.55 0.45 0.08 -0.10 0.00 0.00 175.22 176.28 1wfs s VAL 75 N -1.51 -0.63 -0.52 -0.44 1.01 -0.00 -0.11 120.40 118.20 1wfs s VAL 75 Ca 0.35 0.14 -0.10 0.00 0.00 0.00 0.00 61.98 62.38 1wfs s VAL 75 Cb -0.13 -0.70 0.13 0.00 0.00 0.00 0.00 36.38 35.68 1wfs s VAL 75 CO 0.25 0.06 0.40 -0.69 0.00 0.00 0.00 175.10 175.12 1wfs s VAL 76 N 2.53 4.36 -0.04 2.92 1.01 -0.42 0.14 120.40 130.89 1wfs s VAL 76 Ca -0.03 -1.93 -0.19 0.00 0.00 0.00 0.00 61.98 59.83 1wfs s VAL 76 Cb -0.12 -3.85 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 1wfs s VAL 76 CO -0.14 -0.82 0.52 -0.47 0.00 0.00 0.00 175.10 174.19 1wfs s TYR 77 N 1.15 3.63 -0.48 5.22 5.04 -1.01 -1.97 117.35 128.93 1wfs s TYR 77 Ca 0.08 1.05 -0.02 0.00 -2.44 0.00 0.00 57.07 55.73 1wfs s TYR 77 Cb -0.25 -2.52 0.13 0.00 0.35 0.00 0.00 41.96 39.67 1wfs s TYR 77 CO -0.01 0.34 0.27 0.45 -1.34 0.00 0.00 175.55 175.26 1wfs s SER 78 N -0.07 5.16 0.67 4.32 0.15 0.12 -2.03 113.70 122.02 1wfs s SER 78 Ca 0.28 -2.36 -0.07 0.00 0.70 0.00 0.00 55.95 54.50 1wfs s SER 78 Cb -0.17 -1.81 0.04 0.00 -1.71 0.00 0.00 66.02 62.37 1wfs s SER 78 CO 0.14 -0.46 1.00 -0.47 1.20 0.00 0.00 173.24 174.65 1wfs s TYR 79 N 0.66 3.07 -0.26 3.44 5.04 -1.25 -3.01 117.35 125.05 1wfs s TYR 79 Ca 0.12 0.60 0.01 0.00 -2.44 0.00 0.00 57.07 55.36 1wfs s TYR 79 Cb -0.22 -3.05 0.05 0.00 0.35 0.00 0.00 41.96 39.09 1wfs s TYR 79 CO -0.04 -1.22 -0.09 0.21 -1.34 0.00 0.00 175.55 173.07 1wfs s LYS 80 N -5.20 2.42 -0.14 4.97 2.20 -1.26 -2.49 119.74 120.24 1wfs s LYS 80 Ca 0.58 -1.24 -0.04 0.00 -0.36 0.00 0.00 55.97 54.92 1wfs s LYS 80 Cb -0.11 -2.93 -0.03 0.00 -1.51 0.00 0.00 37.83 33.25 1wfs s LYS 80 CO 0.46 -0.52 -0.02 -0.47 -0.36 0.00 0.00 175.35 174.44 1wfs s TYR 81 N 1.18 3.08 0.24 4.03 6.14 0.98 -4.98 117.35 128.02 1wfs s TYR 81 Ca -0.06 -0.12 -0.02 0.00 0.64 0.00 0.00 57.07 57.51 1wfs s TYR 81 Cb -0.19 -1.92 -0.04 0.00 0.42 0.00 0.00 41.96 40.22 1wfs s TYR 81 CO -0.05 0.12 0.46 0.08 0.64 0.00 0.00 175.55 176.79 1wfs s VAL 82 N 0.03 5.14 0.00 3.14 1.01 -1.26 -0.89 120.40 127.56 1wfs s VAL 82 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1wfs s VAL 82 Cb -0.13 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1wfs s VAL 82 CO 0.02 -0.25 0.00 1.41 0.00 0.00 0.00 175.10 176.28 1wfs n HIS 83 N -0.85 0.00 0.00 5.22 -0.00 0.14 -4.94 115.22 114.79 1wfs n HIS 83 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.68 1wfs n HIS 83 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.53 1wfs n HIS 83 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1wfs n ASP 84 N -0.61 0.00 0.11 0.41 8.00 -1.26 -4.95 116.55 118.25 1wfs n ASP 84 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 1wfs n ASP 84 Cb 0.00 0.00 0.46 0.00 -0.02 0.00 0.00 41.12 41.56 1wfs n ASP 84 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1wfs n ASP 85 N 0.00 0.62 0.00 -2.24 2.03 -1.26 -4.80 116.55 110.90 1wfs n ASP 85 Ca 0.00 0.63 0.00 0.00 0.52 0.00 0.00 54.79 55.94 1wfs n ASP 85 Cb 0.00 -0.77 0.00 0.00 -0.72 0.00 0.00 41.12 39.63 1wfs n ASP 85 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1wfs n GLY 86 N 0.32 0.88 3.45 0.27 0.00 -1.26 -5.14 105.19 103.72 1wfs n GLY 86 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 2.35 -0.04 1.61 1.81 -1.26 -5.02 118.95 118.40 1wfs s ARG 87 Ca 0.00 -0.79 -0.01 0.00 -1.72 0.00 0.00 55.73 53.21 1wfs s ARG 87 Cb 0.00 -2.29 0.03 0.00 -0.45 0.00 0.00 34.95 32.24 1wfs s ARG 87 CO 0.00 0.60 0.03 0.54 -0.68 0.00 0.00 175.30 175.79 1wfs s VAL 88 N -0.77 0.03 0.27 3.52 0.11 -1.26 0.27 120.40 122.56 1wfs s VAL 88 Ca 0.12 0.26 0.11 0.00 -2.93 0.00 0.00 61.98 59.55 1wfs s VAL 88 Cb -0.11 -0.21 -0.05 0.00 -1.53 0.00 0.00 36.38 34.49 1wfs s VAL 88 CO 0.02 0.16 -0.15 -0.44 -3.33 0.00 0.00 175.10 171.35 1wfs s SER 89 N 1.61 3.83 -0.59 3.54 0.01 -0.07 -4.95 113.70 117.07 1wfs s SER 89 Ca -0.02 -0.90 -0.09 0.00 1.31 0.00 0.00 55.95 56.25 1wfs s SER 89 Cb -0.13 -0.45 0.15 0.00 0.21 0.00 0.00 66.02 65.81 1wfs s SER 89 CO -0.03 0.04 0.47 -0.31 0.41 0.00 0.00 173.24 173.82 1wfs s TYR 90 N -2.36 3.49 -0.69 2.43 2.02 -1.26 -0.01 117.35 120.97 1wfs s TYR 90 Ca 0.29 -2.09 -0.26 0.00 -0.37 0.00 0.00 57.07 54.64 1wfs s TYR 90 Cb -0.06 -3.51 -0.03 0.00 -0.40 0.00 0.00 41.96 37.96 1wfs s TYR 90 CO 0.16 -0.96 1.88 -1.25 -1.57 0.00 0.00 175.55 173.82 1wfs s PRO 91 N 0.74 2.61 0.13 -1.71 0.04 -1.04 -4.80 135.00 130.96 1wfs s PRO 91 Ca 0.11 0.37 -0.30 0.00 0.04 0.00 0.00 61.00 61.22 1wfs s PRO 91 Cb -0.21 -4.57 -0.07 0.00 0.04 0.00 0.00 34.50 29.69 1wfs s PRO 91 CO -0.03 -2.91 1.25 -0.51 0.04 0.00 0.00 177.00 174.84 1wfs s LEU 92 N 9.35 4.40 0.09 -3.56 1.02 -1.26 -3.80 118.68 124.92 1wfs s LEU 92 Ca 0.68 2.19 0.04 0.00 0.02 0.00 0.00 54.13 57.06 1wfs s LEU 92 Cb -0.11 -3.59 -0.03 0.00 0.02 0.00 0.00 46.19 42.47 1wfs s LEU 92 CO 0.15 -0.48 -0.11 0.00 0.02 0.00 0.00 176.35 175.92 1wfs s PHE 94 N -2.11 3.12 -0.30 0.00 5.36 -0.63 -2.39 117.98 121.02 1wfs s PHE 94 Ca 0.04 -0.63 -0.17 0.00 -0.96 0.00 0.00 56.93 55.20 1wfs s PHE 94 Cb -0.05 -3.37 -0.02 0.00 -0.34 0.00 0.00 43.02 39.24 1wfs s PHE 94 CO 0.01 -0.93 0.48 0.42 -1.46 0.00 0.00 175.22 173.74 1wfs s ILE 95 N 2.30 5.07 -0.43 3.12 1.01 0.37 -1.08 121.20 131.55 1wfs s ILE 95 Ca 0.12 0.56 -0.14 0.00 0.00 0.00 0.00 60.65 61.18 1wfs s ILE 95 Cb -0.20 -3.87 0.05 0.00 0.01 0.00 0.00 42.46 38.45 1wfs s ILE 95 CO 0.11 -0.04 0.33 0.12 0.00 0.00 0.00 174.94 175.45 1wfs s PHE 96 N 2.30 3.25 -0.86 3.97 5.36 -0.70 -0.82 117.98 130.48 1wfs s PHE 96 Ca 0.19 -0.88 -0.25 0.00 -0.96 0.00 0.00 56.93 55.02 1wfs s PHE 96 Cb -0.16 -2.87 0.03 0.00 -0.34 0.00 0.00 43.02 39.69 1wfs s PHE 96 CO 0.11 -0.72 1.40 0.45 -1.46 0.00 0.00 175.22 175.00 1wfs s SER 97 N 2.12 6.23 -0.44 6.13 0.15 -0.99 -2.23 113.70 124.68 1wfs s SER 97 Ca 0.04 -0.84 0.03 0.00 0.70 0.00 0.00 55.95 55.88 1wfs s SER 97 Cb -0.22 -2.56 0.12 0.00 -1.71 0.00 0.00 66.02 61.65 1wfs s SER 97 CO 0.07 -1.76 0.18 -0.55 1.20 0.00 0.00 173.24 172.39 1wfs s SER 98 N 4.59 4.35 0.36 5.45 0.15 -0.83 -2.45 113.70 125.32 1wfs s SER 98 Ca 0.42 -2.60 0.00 0.00 0.70 0.00 0.00 55.95 54.47 1wfs s SER 98 Cb -0.05 -1.50 0.00 0.00 -1.71 0.00 0.00 66.02 62.76 1wfs s SER 98 CO 0.04 -0.30 0.00 -0.81 1.20 0.00 0.00 173.24 173.38 1wfs n PRO 99 N 3.64 0.26 0.00 5.44 -0.04 -1.25 -3.91 135.00 139.14 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 0.36 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 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 -1.24 0.00 1.56 0.52 0.31 -1.25 -4.67 118.33 113.56 1wfs n VAL 100 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.40 1wfs n VAL 100 Cb 0.00 -0.81 0.40 0.00 -0.91 0.00 0.00 33.84 32.52 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 2.61 -0.78 3.00 2.92 0.00 -1.26 -4.80 105.19 106.87 1wfs n GLY 101 Ca 0.00 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 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 -5.06 2.97 0.23 0.00 1.02 -1.26 -5.00 119.74 112.63 1wfs s LYS 103 Ca 0.57 -0.68 0.22 0.00 0.02 0.00 0.00 55.97 56.11 1wfs s LYS 103 Cb -0.02 -2.76 0.94 0.00 -0.52 0.00 0.00 37.83 35.47 1wfs s LYS 103 CO 0.39 0.56 1.68 -0.35 -0.92 0.00 0.00 175.35 176.72 1wfs n PRO 104 N 0.33 0.17 0.06 -1.68 -0.04 -1.26 -2.12 135.00 130.46 1wfs n PRO 104 Ca -0.08 0.41 -0.11 0.00 -0.04 0.00 0.00 63.50 63.67 1wfs n PRO 104 Cb 0.52 -1.83 -0.01 0.00 -0.04 0.00 0.00 33.50 32.14 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 0.39 0.00 0.54 4.39 -2.01 -3.22 114.58 114.67 1wfs h GLU 105 Ca 0.00 -0.37 -0.01 0.00 0.34 0.00 0.00 59.36 59.32 1wfs h GLU 105 Cb 0.35 0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.09 1wfs h GLU 105 CO 0.00 1.03 -0.51 1.96 -1.16 0.00 0.00 179.01 180.32 1wfs h GLN 106 N 0.25 0.00 -0.82 2.33 1.08 -1.93 -3.34 115.11 112.68 1wfs h GLN 106 Ca -0.05 0.00 0.34 0.00 -1.45 0.00 0.00 58.65 57.49 1wfs h GLN 106 Cb 1.43 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 28.72 1wfs h GLN 106 CO 0.14 0.04 0.45 0.94 -0.95 0.00 0.00 178.83 179.45 1wfs n GLN 107 N -4.62 -0.05 -0.12 1.46 0.00 -0.90 0.23 117.38 113.39 1wfs n GLN 107 Ca -0.08 1.10 -0.10 0.00 -0.00 0.00 0.00 57.00 57.92 1wfs n GLN 107 Cb 0.27 -1.99 -0.02 0.00 0.00 0.00 0.00 30.24 28.49 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 0.57 -1.07 3.69 2.86 -1.73 0.39 114.93 119.63 1wfs h MET 108 Ca 0.68 -0.15 0.29 0.00 -2.06 0.00 0.00 59.70 58.46 1wfs h MET 108 Cb 1.84 -0.07 -0.07 0.00 0.06 0.00 0.00 31.60 33.36 1wfs h MET 108 CO -0.60 0.65 0.73 0.52 1.06 0.00 0.00 176.91 179.26 1wfs h MET 109 N 0.40 0.20 0.03 1.72 2.86 0.28 0.17 114.93 120.59 1wfs h MET 109 Ca 0.10 -0.01 -0.36 0.00 -2.06 0.00 0.00 59.70 57.37 1wfs h MET 109 Cb 0.35 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.92 1wfs h MET 109 CO 0.01 0.13 -2.18 0.66 1.06 0.00 0.00 176.91 176.58 1wfs n TYR 110 N -4.42 0.53 0.27 -0.22 4.02 -1.03 -3.20 117.16 113.11 1wfs n TYR 110 Ca 0.24 0.14 0.11 0.00 -0.01 0.00 0.00 57.90 58.38 1wfs n TYR 110 Cb 1.02 -1.08 0.74 0.00 -0.02 0.00 0.00 39.34 39.99 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 0.45 1.66 0.00 -0.72 0.00 0.13 1.37 119.26 122.15 1wfs h ALA 111 Ca -0.47 -0.04 -0.31 0.00 0.00 0.00 0.00 54.91 54.08 1wfs h ALA 111 Cb 2.04 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.77 1wfs h ALA 111 CO 0.02 0.06 -2.01 0.41 0.00 0.00 0.00 179.25 177.73 1wfs n GLY 112 N -1.24 -1.02 0.01 0.00 0.00 0.46 -4.21 105.19 99.19 1wfs n GLY 112 Ca -0.03 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.87 0.74 0.10 1.61 7.64 -0.99 -4.36 113.62 115.49 1wfs n SER 113 Ca -0.23 -0.59 -0.07 0.00 1.01 0.00 0.00 58.87 58.98 1wfs n SER 113 Cb 1.07 0.57 -0.04 0.00 -1.01 0.00 0.00 64.21 64.81 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 0.04 -0.36 -0.97 1.43 3.64 0.17 0.13 116.57 120.65 1wfs h LYS 114 Ca 0.00 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.54 1wfs h LYS 114 Cb 0.50 0.08 -0.09 0.00 -0.41 0.00 0.00 32.23 32.32 1wfs h LYS 114 CO 0.00 -0.24 0.59 -0.91 -2.27 0.00 0.00 179.45 176.63 1wfs h ASN 115 N -0.37 0.84 0.22 4.20 2.35 -1.81 0.96 115.58 121.97 1wfs h ASN 115 Ca -0.02 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1wfs h ASN 115 Cb 0.33 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 1wfs h ASN 115 CO -0.04 0.42 -0.22 -0.09 -1.65 0.00 0.00 177.43 175.85 1wfs h ARG 116 N 0.90 -0.46 0.72 0.81 9.65 -1.68 -1.42 114.38 122.89 1wfs h ARG 116 Ca 0.50 0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 59.37 1wfs h ARG 116 Cb 0.56 0.10 0.01 0.00 -1.39 0.00 0.00 29.97 29.25 1wfs h ARG 116 CO -0.29 -0.31 -0.34 1.25 2.80 0.00 0.00 179.97 183.08 1wfs h LEU 117 N -0.48 -0.82 -0.98 3.80 5.85 -0.07 -3.06 115.31 119.54 1wfs h LEU 117 Ca -0.00 0.00 0.19 0.00 0.84 0.00 0.00 57.88 58.91 1wfs h LEU 117 Cb 0.45 0.21 -0.18 0.00 0.37 0.00 0.00 40.66 41.51 1wfs h LEU 117 CO -0.05 -0.47 -0.28 0.58 -0.34 0.00 0.00 178.44 177.88 1wfs h VAL 118 N -1.17 0.01 -0.76 1.05 2.07 -0.84 0.72 116.25 117.33 1wfs h VAL 118 Ca -0.10 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.56 1wfs h VAL 118 Cb 0.76 0.01 -0.09 0.00 -1.52 0.00 0.00 31.29 30.45 1wfs h VAL 118 CO 0.16 0.00 0.31 1.56 0.02 0.00 0.00 177.57 179.63 1wfs h GLN 119 N -0.00 0.45 -0.57 1.57 4.20 -1.23 -0.71 115.11 118.81 1wfs h GLN 119 Ca 0.45 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 59.14 1wfs h GLN 119 Cb 0.69 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.34 1wfs h GLN 119 CO -1.01 0.30 0.37 1.15 -0.67 0.00 0.00 178.83 178.97 1wfs h THR 120 N 0.46 1.12 0.00 -0.54 2.02 0.53 -1.11 112.91 115.39 1wfs h THR 120 Ca 0.42 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 67.34 1wfs h THR 120 Cb 0.62 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1wfs h THR 120 CO -0.40 0.14 -0.00 0.00 0.37 0.00 0.00 175.52 175.63 1wfs h ALA 121 N 1.23 1.01 -3.40 6.16 0.00 -0.53 -3.46 119.26 120.25 1wfs h ALA 121 Ca 0.22 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 1wfs h ALA 121 Cb -0.05 -0.00 0.07 0.00 0.00 0.00 0.00 17.79 17.81 1wfs h ALA 121 CO -0.07 0.00 -0.32 -1.91 0.00 0.00 0.00 179.25 176.96 1wfs n GLU 122 N -3.10 -3.20 -3.52 0.00 0.00 -0.42 -4.69 120.64 105.71 1wfs n GLU 122 Ca -0.01 0.37 -0.42 0.00 0.00 0.00 0.00 57.16 57.11 1wfs n GLU 122 Cb 0.21 -3.99 -0.10 0.00 0.00 0.00 0.00 31.44 27.55 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 -3.87 4.84 0.13 4.31 1.43 -1.20 -4.93 118.68 119.39 1wfs s LEU 123 Ca 0.12 -0.81 0.24 0.00 -1.03 0.00 0.00 54.13 52.65 1wfs s LEU 123 Cb -0.05 -2.11 0.94 0.00 0.03 0.00 0.00 46.19 44.99 1wfs s LEU 123 CO 0.32 -0.38 1.75 1.07 0.23 0.00 0.00 176.35 179.35 1wfs n THR 124 N 5.10 0.55 -4.20 5.49 5.66 -1.26 -4.66 114.28 120.96 1wfs n THR 124 Ca -0.12 -0.01 -0.34 0.00 -3.05 0.00 0.00 64.05 60.53 1wfs n THR 124 Cb 0.47 -0.75 -0.14 0.00 -1.55 0.00 0.00 70.33 68.36 1wfs n THR 124 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1wfs s LYS 125 N -3.10 3.46 -0.03 1.09 1.02 -1.26 -5.10 119.74 115.82 1wfs s LYS 125 Ca 0.10 -0.61 0.01 0.00 0.02 0.00 0.00 55.97 55.49 1wfs s LYS 125 Cb 0.13 -2.92 0.01 0.00 -0.52 0.00 0.00 37.83 34.53 1wfs s LYS 125 CO 0.48 -0.01 -0.05 0.08 -0.92 0.00 0.00 175.35 174.93 1wfs s VAL 126 N 0.98 0.53 -0.00 3.17 1.01 -1.26 -1.60 120.40 123.23 1wfs s VAL 126 Ca -0.00 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 61.84 1wfs s VAL 126 Cb -0.15 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.70 1wfs s VAL 126 CO 0.00 0.20 -0.11 -0.36 0.00 0.00 0.00 175.10 174.83 1wfs s PHE 127 N 0.58 0.99 -0.18 5.22 0.08 -0.24 -4.94 117.98 119.49 1wfs s PHE 127 Ca -0.08 -0.21 -0.01 0.00 0.12 0.00 0.00 56.93 56.75 1wfs s PHE 127 Cb -0.11 -0.63 -0.00 0.00 -0.57 0.00 0.00 43.02 41.70 1wfs s PHE 127 CO 0.00 -0.01 -0.11 -2.00 -0.10 0.00 0.00 175.22 172.99 1wfs s GLU 128 N -0.38 3.28 -0.16 0.44 2.12 -1.26 -1.72 118.70 121.01 1wfs s GLU 128 Ca 0.04 -0.70 -0.04 0.00 0.36 0.00 0.00 54.97 54.63 1wfs s GLU 128 Cb -0.05 -2.76 -0.02 0.00 0.26 0.00 0.00 34.13 31.56 1wfs s GLU 128 CO -0.00 -0.05 -0.04 0.96 -0.54 0.00 0.00 175.26 175.59 1wfs s ILE 129 N 1.01 3.82 -1.02 -3.70 -4.36 -0.95 -4.98 121.20 111.03 1wfs s ILE 129 Ca -0.01 -0.38 0.26 0.00 -0.26 0.00 0.00 60.65 60.26 1wfs s ILE 129 Cb -0.15 -2.68 0.22 0.00 1.25 0.00 0.00 42.46 41.11 1wfs s ILE 129 CO -0.02 0.48 1.84 -1.14 0.24 0.00 0.00 174.94 176.34 1wfs n ARG 130 N 3.72 0.01 -3.59 0.37 3.00 -1.25 -1.97 116.66 116.95 1wfs n ARG 130 Ca -0.17 0.05 -0.10 0.00 -0.00 0.00 0.00 57.85 57.63 1wfs n ARG 130 Cb 0.52 -1.50 -0.05 0.00 0.00 0.00 0.00 32.46 31.43 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 -2.98 0.00 0.31 5.15 -1.32 -1.26 -3.96 115.64 111.57 1wfs s THR 131 Ca 0.13 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.67 1wfs s THR 131 Cb 0.17 -1.00 0.30 0.00 -1.51 0.00 0.00 72.50 70.46 1wfs s THR 131 CO 0.47 0.00 1.77 0.71 -2.21 0.00 0.00 174.62 175.36 1wfs h THR 132 N 2.70 0.68 -1.15 5.08 1.35 -1.88 0.89 112.91 120.59 1wfs h THR 132 Ca -0.19 -0.25 0.33 0.00 -0.55 0.00 0.00 66.41 65.74 1wfs h THR 132 Cb 1.17 -0.12 -0.10 0.00 -1.73 0.00 0.00 68.15 67.37 1wfs h THR 132 CO 0.27 0.14 0.75 0.44 -0.25 0.00 0.00 175.52 176.87 1wfs h ASP 133 N 0.74 0.32 -0.96 5.36 5.19 -1.96 0.47 116.42 125.59 1wfs h ASP 133 Ca 0.59 0.08 0.02 0.00 -0.62 0.00 0.00 57.03 57.10 1wfs h ASP 133 Cb 0.94 0.04 -0.05 0.00 0.18 0.00 0.00 39.33 40.44 1wfs h ASP 133 CO -0.39 0.00 0.63 -0.78 -3.12 0.00 0.00 179.24 175.58 1wfs h ASP 134 N 0.25 1.08 -0.56 6.45 3.58 -1.23 -3.37 116.42 122.62 1wfs h ASP 134 Ca 0.66 -0.02 -0.17 0.00 0.42 0.00 0.00 57.03 57.91 1wfs h ASP 134 Cb 1.93 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 42.69 1wfs h ASP 134 CO -0.29 0.76 0.44 -0.22 -2.88 0.00 0.00 179.24 177.06 1wfs s LEU 135 N -10.13 3.03 0.06 2.28 2.96 0.17 -4.57 118.68 112.48 1wfs s LEU 135 Ca -0.13 -0.40 0.04 0.00 -0.22 0.00 0.00 54.13 53.43 1wfs s LEU 135 Cb 0.18 -2.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.28 1wfs s LEU 135 CO 0.81 -3.24 -0.12 0.42 -1.32 0.00 0.00 176.35 172.90 1wfs s THR 136 N 12.10 0.95 0.36 3.68 -4.23 -1.26 -4.64 115.64 122.60 1wfs s THR 136 Ca 0.79 -1.23 0.21 0.00 -1.18 0.00 0.00 61.69 60.27 1wfs s THR 136 Cb -0.09 -0.94 0.34 0.00 1.34 0.00 0.00 72.50 73.15 1wfs s THR 136 CO 0.03 -0.27 1.53 1.21 -0.54 0.00 0.00 174.62 176.58 1wfs n GLU 137 N 1.34 -0.06 0.03 3.99 2.13 -1.26 -0.31 120.64 126.51 1wfs n GLU 137 Ca -0.22 1.33 -0.02 0.00 0.66 0.00 0.00 57.16 58.92 1wfs n GLU 137 Cb 0.54 -2.40 -0.01 0.00 0.27 0.00 0.00 31.44 29.85 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 -0.62 6.31 2.02 -1.95 -1.77 112.91 116.90 1wfs h THR 138 Ca 0.82 -0.40 0.18 0.00 0.77 0.00 0.00 66.41 67.79 1wfs h THR 138 Cb 2.19 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.58 1wfs h THR 138 CO -0.73 0.00 0.95 -0.25 0.37 0.00 0.00 175.52 175.85 1wfs h TRP 139 N -0.51 0.00 0.00 3.16 7.01 -1.51 0.56 115.95 124.66 1wfs h TRP 139 Ca -0.01 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 1wfs h TRP 139 Cb 0.09 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.15 1wfs h TRP 139 CO 0.02 0.00 -0.35 1.25 -2.79 0.00 0.00 178.44 176.57 1wfs h LEU 140 N 0.00 0.00 -2.38 0.65 7.12 -0.72 -3.29 115.31 116.69 1wfs h LEU 140 Ca 0.30 -0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.25 1wfs h LEU 140 Cb 2.18 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 42.31 1wfs h LEU 140 CO -0.00 0.71 0.00 0.11 -0.13 0.00 0.00 178.44 179.13 1wfs h LYS 141 N -1.00 0.00 -0.05 1.25 1.57 -0.09 -2.17 116.57 116.08 1wfs h LYS 141 Ca -0.02 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1wfs h LYS 141 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1wfs h LYS 141 CO -0.01 0.00 -0.17 0.93 -0.57 0.00 0.00 179.45 179.63 1wfs h GLU 142 N 0.00 0.20 -0.32 3.15 5.08 -0.11 -0.70 114.58 121.89 1wfs h GLU 142 Ca 0.00 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1wfs h GLU 142 Cb 0.03 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1wfs h GLU 142 CO 0.00 0.78 0.07 0.87 -1.00 0.00 0.00 179.01 179.73 1wfs h LYS 143 N -0.33 0.47 0.00 2.33 1.79 -1.46 -1.53 116.57 117.84 1wfs h LYS 143 Ca -0.01 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1wfs h LYS 143 Cb 0.80 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 1wfs h LYS 143 CO 0.04 0.44 -0.00 -0.07 -1.08 0.00 0.00 179.45 178.77 1wfs h LEU 144 N 0.46 -0.00 -0.38 2.94 3.38 -1.52 -3.26 115.31 116.92 1wfs h LEU 144 Ca 0.11 -0.76 0.04 0.00 0.09 0.00 0.00 57.88 57.36 1wfs h LEU 144 Cb 0.19 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 1wfs h LEU 144 CO -0.00 0.76 -0.41 0.00 0.09 0.00 0.00 178.44 178.88 1wfs h ALA 145 N 0.20 -0.60 0.00 1.53 0.00 -0.99 -3.43 119.26 115.98 1wfs h ALA 145 Ca -0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1wfs h ALA 145 Cb 0.77 1.07 0.00 0.00 0.00 0.00 0.00 17.79 19.62 1wfs h ALA 145 CO 0.00 -0.82 0.00 0.45 0.00 0.00 0.00 179.25 178.89 1wfs n SER 146 N -4.63 0.00 -4.49 0.00 2.88 -1.08 -5.11 113.62 101.18 1wfs n SER 146 Ca -0.02 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.17 1wfs n SER 146 Cb 0.23 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.77 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 -1.35 3.56 0.46 0.00 -0.60 -4.83 105.19 102.43 1wfs n GLY 147 Ca 0.00 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.97 2.77 0.41 1.61 0.04 -1.26 -4.96 135.00 130.64 1wfs s PRO 148 Ca 0.66 0.75 0.03 0.00 0.04 0.00 0.00 61.00 62.49 1wfs s PRO 148 Cb -0.33 -4.34 -0.04 0.00 0.04 0.00 0.00 34.50 29.82 1wfs s PRO 148 CO 0.57 -2.55 0.07 0.45 0.04 0.00 0.00 177.00 175.58 1wfs s SER 149 N 7.64 3.15 -0.65 6.66 0.15 -1.26 -5.09 113.70 124.29 1wfs s SER 149 Ca 0.69 -1.56 -0.27 0.00 0.70 0.00 0.00 55.95 55.50 1wfs s SER 149 Cb -0.14 0.27 0.03 0.00 -1.71 0.00 0.00 66.02 64.47 1wfs s SER 149 CO 0.23 -0.78 1.21 -0.44 1.20 0.00 0.00 173.24 174.66 1wfs s SER 150 N -3.66 6.30 0.00 5.45 0.01 -1.26 -5.28 113.70 115.27 1wfs s SER 150 Ca 0.23 -0.22 0.27 0.00 1.31 0.00 0.00 55.95 57.55 1wfs s SER 150 Cb 0.05 -2.54 0.82 0.00 0.21 0.00 0.00 66.02 64.55 1wfs s SER 150 CO 0.12 -1.63 1.62 0.61 0.41 0.00 0.00 173.24 174.37