#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 0.00 -4.39 1.61 2.88 -1.26 -5.14 113.62 107.32 1wfs n SER 2 Ca 0.00 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.28 1wfs n SER 2 Cb 0.00 0.31 -0.12 0.00 -0.75 0.00 0.00 64.21 63.65 1wfs n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wfs s SER 3 N -2.78 3.21 0.00 -3.46 1.04 -1.26 -4.95 113.70 105.50 1wfs s SER 3 Ca 0.00 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.58 1wfs s SER 3 Cb 0.00 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.90 1wfs s SER 3 CO 0.00 0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.92 1wfs n GLY 4 N 0.35 0.22 3.68 7.32 0.00 -1.26 -5.13 105.19 110.37 1wfs n GLY 4 Ca -0.13 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 -4.00 2.79 1.25 1.61 0.15 -1.26 -5.03 113.70 109.21 1wfs s SER 5 Ca 0.00 1.33 -0.19 0.00 0.70 0.00 0.00 55.95 57.79 1wfs s SER 5 Cb 0.00 -2.00 0.30 0.00 -1.71 0.00 0.00 66.02 62.61 1wfs s SER 5 CO 0.00 -3.05 1.04 -0.44 1.20 0.00 0.00 173.24 172.00 1wfs s SER 6 N -3.36 0.45 0.65 5.45 0.01 -1.26 -5.05 113.70 110.59 1wfs s SER 6 Ca 0.65 0.84 0.00 0.00 1.31 0.00 0.00 55.95 58.75 1wfs s SER 6 Cb -0.19 -1.22 0.00 0.00 0.21 0.00 0.00 66.02 64.83 1wfs s SER 6 CO 0.58 -4.43 0.00 0.61 0.41 0.00 0.00 173.24 170.40 1wfs n GLY 7 N -0.07 -1.43 2.93 3.44 0.00 -1.26 -5.10 105.19 103.71 1wfs n GLY 7 Ca 0.11 -1.58 -0.16 0.00 0.00 0.00 0.00 46.02 44.39 1wfs n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfs s SER 8 N -1.16 0.57 -0.27 1.61 1.04 -1.26 -5.03 113.70 109.19 1wfs s SER 8 Ca 0.00 -0.08 0.05 0.00 0.48 0.00 0.00 55.95 56.39 1wfs s SER 8 Cb 0.00 -0.11 0.17 0.00 0.10 0.00 0.00 66.02 66.19 1wfs s SER 8 CO 0.00 0.03 1.09 0.47 0.98 0.00 0.00 173.24 175.81 1wfs n ASP 9 N 3.15 -1.13 -1.28 7.02 8.00 -1.26 -5.15 116.55 125.91 1wfs n ASP 9 Ca -0.15 -1.78 0.15 0.00 0.71 0.00 0.00 54.79 53.71 1wfs n ASP 9 Cb 0.57 0.76 -0.07 0.00 -0.02 0.00 0.00 41.12 42.35 1wfs n ASP 9 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1wfs n SER 10 N -0.59 -6.64 -3.76 -2.24 2.88 -1.26 -5.02 113.62 96.98 1wfs n SER 10 Ca -0.15 1.07 -0.21 0.00 -1.33 0.00 0.00 58.87 58.25 1wfs n SER 10 Cb 0.70 -4.28 -0.08 0.00 -0.75 0.00 0.00 64.21 59.79 1wfs n SER 10 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1wfs s LEU 11 N -6.71 1.77 -0.51 2.46 1.43 -1.26 -5.05 118.68 110.82 1wfs s LEU 11 Ca 0.00 -1.67 -0.02 0.00 -1.03 0.00 0.00 54.13 51.41 1wfs s LEU 11 Cb 0.00 0.27 0.26 0.00 0.03 0.00 0.00 46.19 46.75 1wfs s LEU 11 CO 0.00 -0.98 2.21 0.55 0.23 0.00 0.00 176.35 178.36 1wfs n VAL 12 N -0.68 3.24 -1.74 -1.59 3.14 -1.26 -4.99 118.33 114.45 1wfs n VAL 12 Ca 0.02 -2.65 -0.67 0.00 -2.96 0.00 0.00 64.34 58.07 1wfs n VAL 12 Cb 0.64 -1.34 -0.10 0.00 -1.06 0.00 0.00 33.84 31.98 1wfs n VAL 12 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1wfs n VAL 13 N 0.03 0.01 -3.23 1.55 0.31 -1.26 -4.81 118.33 110.92 1wfs n VAL 13 Ca 0.46 -0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.61 1wfs n VAL 13 Cb 0.55 -0.52 -0.00 0.00 -0.91 0.00 0.00 33.84 32.95 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 -4.26 2.12 -0.60 0.00 0.41 -1.11 -4.86 118.70 110.41 1wfs s GLU 15 Ca 0.51 -1.00 -0.11 0.00 -0.41 0.00 0.00 54.97 53.97 1wfs s GLU 15 Cb -0.08 -2.43 0.15 0.00 -1.78 0.00 0.00 34.13 29.99 1wfs s GLU 15 CO 0.31 -1.07 0.50 0.54 -0.49 0.00 0.00 175.26 175.06 1wfs s VAL 16 N -2.93 4.73 0.13 2.63 0.11 -1.26 -0.62 120.40 123.19 1wfs s VAL 16 Ca 0.62 -2.06 -0.18 0.00 -2.93 0.00 0.00 61.98 57.42 1wfs s VAL 16 Cb -0.08 -4.03 -0.11 0.00 -1.53 0.00 0.00 36.38 30.63 1wfs s VAL 16 CO 0.41 -0.88 0.34 -0.67 -3.33 0.00 0.00 175.10 170.97 1wfs n ASP 17 N 4.55 -0.83 0.08 3.54 2.03 -0.78 -4.60 116.55 120.54 1wfs n ASP 17 Ca -0.02 0.74 -0.03 0.00 0.52 0.00 0.00 54.79 56.00 1wfs n ASP 17 Cb 0.42 -0.62 0.18 0.00 -0.72 0.00 0.00 41.12 40.38 1wfs n ASP 17 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1wfs h PRO 18 N 0.65 0.28 0.00 -0.67 0.13 -1.97 -0.57 132.00 129.85 1wfs h PRO 18 Ca -0.18 -0.15 -0.07 0.00 -0.87 0.00 0.00 66.00 64.73 1wfs h PRO 18 Cb 0.94 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 1wfs h PRO 18 CO 0.37 0.69 -0.31 1.05 -0.23 0.00 0.00 178.00 179.57 1wfs h GLU 19 N 0.23 0.00 0.06 0.86 -0.00 -1.95 -3.24 114.58 110.55 1wfs h GLU 19 Ca 0.01 0.00 -0.28 0.00 -0.00 0.00 0.00 59.36 59.09 1wfs h GLU 19 Cb 0.91 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.63 1wfs h GLU 19 CO 0.07 0.31 -1.53 1.25 -0.00 0.00 0.00 179.01 179.11 1wfs h LEU 20 N 0.00 0.21 -0.88 3.06 6.46 -1.83 -3.35 115.31 118.97 1wfs h LEU 20 Ca -0.00 -0.72 0.28 0.00 -0.12 0.00 0.00 57.88 57.32 1wfs h LEU 20 Cb 0.74 -0.07 -0.16 0.00 -0.73 0.00 0.00 40.66 40.44 1wfs h LEU 20 CO 0.04 1.64 0.15 1.17 -0.62 0.00 0.00 178.44 180.82 1wfs n LYS 21 N -4.02 -0.07 -0.12 1.25 4.81 -0.24 0.16 118.16 119.93 1wfs n LYS 21 Ca -0.31 1.29 -0.11 0.00 -0.87 0.00 0.00 58.31 58.32 1wfs n LYS 21 Cb 0.84 -2.13 -0.03 0.00 0.02 0.00 0.00 35.03 33.74 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 0.61 -0.94 1.64 5.08 -1.73 -2.80 114.58 116.44 1wfs h GLU 22 Ca 0.60 -0.21 0.25 0.00 -1.00 0.00 0.00 59.36 59.00 1wfs h GLU 22 Cb 1.37 -0.05 -0.13 0.00 0.50 0.00 0.00 28.75 30.44 1wfs h GLU 22 CO -0.79 0.75 0.47 1.15 -1.00 0.00 0.00 179.01 179.59 1wfs h THR 23 N 0.41 0.44 -0.01 1.13 2.02 0.14 0.23 112.91 117.28 1wfs h THR 23 Ca 0.09 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1wfs h THR 23 Cb 0.48 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1wfs h THR 23 CO 0.02 0.08 -0.01 -0.07 0.37 0.00 0.00 175.52 175.91 1wfs h LEU 24 N 0.42 0.02 -2.66 2.58 3.38 -1.32 0.66 115.31 118.40 1wfs h LEU 24 Ca 0.61 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1wfs h LEU 24 Cb 1.22 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 1wfs h LEU 24 CO -0.54 0.53 0.03 -0.09 0.09 0.00 0.00 178.44 178.45 1wfs h ARG 25 N -0.48 0.00 0.13 1.13 2.43 -0.86 -1.97 114.38 114.76 1wfs h ARG 25 Ca 0.00 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.81 1wfs h ARG 25 Cb 0.52 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1wfs h ARG 25 CO 0.00 0.00 -1.94 0.87 -1.51 0.00 0.00 179.97 177.39 1wfs h LYS 26 N 0.00 0.28 -0.51 0.20 1.79 -0.47 -3.27 116.57 114.59 1wfs h LYS 26 Ca 0.01 -0.49 0.04 0.00 -2.18 0.00 0.00 60.65 58.04 1wfs h LYS 26 Cb 0.06 0.18 -0.03 0.00 -1.58 0.00 0.00 32.23 30.86 1wfs h LYS 26 CO -0.00 1.23 0.34 0.35 -1.08 0.00 0.00 179.45 180.29 1wfs h PHE 27 N 0.06 0.51 -0.15 -1.35 3.57 -0.14 2.10 116.94 121.53 1wfs h PHE 27 Ca -0.41 0.01 -0.21 0.00 3.53 0.00 0.00 57.97 60.89 1wfs h PHE 27 Cb 2.03 -0.17 0.01 0.00 2.79 0.00 0.00 35.95 40.61 1wfs h PHE 27 CO 0.08 0.29 -0.75 0.00 -2.23 0.00 0.00 178.31 175.70 1wfs h ARG 28 N 0.52 0.72 -0.61 1.11 3.08 -1.56 -3.29 114.38 114.36 1wfs h ARG 28 Ca 0.21 -0.58 -0.44 0.00 0.07 0.00 0.00 59.98 59.25 1wfs h ARG 28 Cb 0.19 0.12 -0.33 0.00 0.08 0.00 0.00 29.97 30.03 1wfs h ARG 28 CO -0.06 1.19 -0.65 1.19 -1.07 0.00 0.00 179.97 180.57 1wfs n PHE 29 N -3.92 2.19 -0.83 3.04 3.72 -0.70 -5.06 117.46 115.90 1wfs n PHE 29 Ca -0.07 -2.10 -0.29 0.00 -0.05 0.00 0.00 57.45 54.95 1wfs n PHE 29 Cb 0.73 -0.38 0.23 0.00 -0.94 0.00 0.00 39.48 39.12 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 -3.53 -0.84 -0.43 -1.08 1.70 0.70 -4.92 118.95 110.56 1wfs s ARG 30 Ca 0.49 0.46 0.03 0.00 -0.47 0.00 0.00 55.73 56.24 1wfs s ARG 30 Cb 0.41 -1.59 0.58 0.00 -0.57 0.00 0.00 34.95 33.78 1wfs s ARG 30 CO 0.02 -3.57 1.85 1.63 -1.08 0.00 0.00 175.30 174.14 1wfs n LYS 31 N -4.76 2.17 -4.57 3.89 4.76 -1.26 -4.93 118.16 113.46 1wfs n LYS 31 Ca 0.06 -2.74 -0.26 0.00 -2.87 0.00 0.00 58.31 52.50 1wfs n LYS 31 Cb 0.57 -2.07 -0.10 0.00 -1.84 0.00 0.00 35.03 31.58 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 -3.02 1.87 -0.18 1.97 2.02 -1.26 -5.07 118.70 115.02 1wfs s GLU 32 Ca 0.52 -2.07 0.24 0.00 0.02 0.00 0.00 54.97 53.67 1wfs s GLU 32 Cb 0.44 -1.30 0.48 0.00 0.10 0.00 0.00 34.13 33.85 1wfs s GLU 32 CO 0.09 -0.15 1.13 0.25 0.02 0.00 0.00 175.26 176.60 1wfs n THR 33 N -0.90 0.88 -4.42 3.63 -2.24 -1.26 -5.10 114.28 104.87 1wfs n THR 33 Ca -0.05 -2.33 -0.22 0.00 -2.27 0.00 0.00 64.05 59.18 1wfs n THR 33 Cb 0.67 1.21 -0.09 0.00 -2.10 0.00 0.00 70.33 70.02 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 -3.24 2.13 0.42 3.42 2.47 -1.26 -5.11 114.94 113.77 1wfs s ASN 34 Ca 0.29 -1.56 -0.22 0.00 0.42 0.00 0.00 52.86 51.79 1wfs s ASN 34 Cb 0.34 0.34 -0.10 0.00 -1.45 0.00 0.00 41.25 40.38 1wfs s ASN 34 CO -0.08 -0.85 0.99 0.20 -3.72 0.00 0.00 177.10 173.64 1wfs s ASN 35 N -3.48 6.82 0.17 -4.21 -0.87 -1.26 -4.93 114.94 107.18 1wfs s ASN 35 Ca 0.32 1.82 -0.22 0.00 -1.57 0.00 0.00 52.86 53.20 1wfs s ASN 35 Cb 0.05 -2.56 0.06 0.00 -0.02 0.00 0.00 41.25 38.78 1wfs s ASN 35 CO 0.16 -0.44 0.59 0.00 -2.57 0.00 0.00 177.10 174.84 1wfs s ALA 36 N -1.98 -1.49 0.04 0.60 0.00 -1.20 -1.06 121.76 116.67 1wfs s ALA 36 Ca 0.61 0.34 0.04 0.00 0.00 0.00 0.00 51.96 52.95 1wfs s ALA 36 Cb -0.14 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 23.83 1wfs s ALA 36 CO 0.18 -0.79 -0.11 0.00 0.00 0.00 0.00 175.76 175.04 1wfs s ALA 37 N -3.78 0.92 -0.23 0.00 0.00 0.28 -0.42 121.76 118.53 1wfs s ALA 37 Ca 0.02 -0.76 -0.01 0.00 0.00 0.00 0.00 51.96 51.21 1wfs s ALA 37 Cb -0.01 -0.10 0.07 0.00 0.00 0.00 0.00 23.12 23.08 1wfs s ALA 37 CO -0.11 0.13 0.02 0.42 0.00 0.00 0.00 175.76 176.23 1wfs s ILE 38 N -0.96 0.96 -0.31 0.00 1.01 -0.39 -1.13 121.20 120.38 1wfs s ILE 38 Ca -0.02 -0.98 -0.18 0.00 0.00 0.00 0.00 60.65 59.47 1wfs s ILE 38 Cb -0.08 -1.44 -0.01 0.00 0.01 0.00 0.00 42.46 40.93 1wfs s ILE 38 CO 0.01 -0.27 0.53 -0.63 0.00 0.00 0.00 174.94 174.58 1wfs s ILE 39 N 1.64 5.02 0.14 2.92 1.01 -0.65 -1.02 121.20 130.25 1wfs s ILE 39 Ca -0.00 0.60 0.09 0.00 0.00 0.00 0.00 60.65 61.33 1wfs s ILE 39 Cb -0.18 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 1wfs s ILE 39 CO -0.11 -0.11 -0.13 -0.04 0.00 0.00 0.00 174.94 174.56 1wfs s MET 40 N 2.41 1.98 0.42 2.79 -1.94 0.93 -0.23 119.30 125.66 1wfs s MET 40 Ca 0.21 -1.19 0.03 0.00 -1.71 0.00 0.00 55.69 53.03 1wfs s MET 40 Cb -0.15 -2.17 -0.03 0.00 2.01 0.00 0.00 34.83 34.49 1wfs s MET 40 CO 0.12 0.46 0.11 -1.59 -0.01 0.00 0.00 175.02 174.11 1wfs s LYS 41 N -2.47 1.94 -0.19 2.03 -2.85 0.47 -0.57 119.74 118.10 1wfs s LYS 41 Ca 0.22 -2.19 -0.01 0.00 -1.00 0.00 0.00 55.97 53.00 1wfs s LYS 41 Cb -0.10 -0.76 0.05 0.00 -2.06 0.00 0.00 37.83 34.97 1wfs s LYS 41 CO 0.13 -0.44 -0.03 0.54 0.10 0.00 0.00 175.35 175.65 1wfs s VAL 42 N -3.17 1.11 -0.15 1.79 0.11 -1.26 0.51 120.40 119.34 1wfs s VAL 42 Ca 0.22 -0.80 -0.29 0.00 -2.93 0.00 0.00 61.98 58.18 1wfs s VAL 42 Cb 0.03 -1.39 -0.02 0.00 -1.53 0.00 0.00 36.38 33.47 1wfs s VAL 42 CO 0.13 -0.02 1.32 -1.81 -3.33 0.00 0.00 175.10 171.38 1wfs s ASP 43 N 1.61 6.91 0.52 3.54 1.11 -0.55 -4.87 116.67 124.94 1wfs s ASP 43 Ca -0.02 1.77 0.29 0.00 0.18 0.00 0.00 52.55 54.77 1wfs s ASP 43 Cb -0.17 -2.54 1.42 0.00 1.07 0.00 0.00 42.92 42.70 1wfs s ASP 43 CO -0.07 -0.78 2.03 0.50 1.18 0.00 0.00 175.17 178.03 1wfs h LYS 44 N 8.38 0.00 -0.27 8.23 3.11 -1.96 1.37 116.57 135.43 1wfs h LYS 44 Ca -0.28 0.00 -0.14 0.00 -2.81 0.00 0.00 60.65 57.42 1wfs h LYS 44 Cb 1.11 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.34 1wfs h LYS 44 CO 0.97 0.11 -0.38 0.22 -2.81 0.00 0.00 179.45 177.56 1wfs h ASP 45 N 0.00 0.80 -0.01 4.20 3.58 -1.97 -3.24 116.42 119.78 1wfs h ASP 45 Ca -0.00 -0.51 0.00 0.00 0.42 0.00 0.00 57.03 56.94 1wfs h ASP 45 Cb 0.42 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.24 1wfs h ASP 45 CO 0.01 1.15 -0.37 0.54 -2.88 0.00 0.00 179.24 177.69 1wfs n ARG 46 N -4.19 1.51 -4.08 0.28 1.74 -1.04 -4.98 116.66 105.90 1wfs n ARG 46 Ca -0.04 -0.93 -0.31 0.00 -0.77 0.00 0.00 57.85 55.80 1wfs n ARG 46 Cb 0.53 -1.35 -0.02 0.00 -1.02 0.00 0.00 32.46 30.59 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 -0.02 -3.38 -4.05 5.56 1.13 0.47 -4.90 117.38 112.19 1wfs n GLN 47 Ca 0.08 0.40 -0.09 0.00 -1.94 0.00 0.00 57.00 55.45 1wfs n GLN 47 Cb 0.40 -4.83 -0.11 0.00 0.11 0.00 0.00 30.24 25.80 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 -6.74 0.49 -0.38 -1.09 0.23 -1.12 -2.75 119.30 107.93 1wfs s MET 48 Ca 0.38 -0.90 -0.24 0.00 -1.03 0.00 0.00 55.69 53.91 1wfs s MET 48 Cb -0.20 0.05 0.01 0.00 -1.53 0.00 0.00 34.83 33.16 1wfs s MET 48 CO 0.90 -0.05 0.81 0.08 -2.03 0.00 0.00 175.02 174.73 1wfs s VAL 49 N -2.44 4.70 0.06 5.16 1.01 0.21 -1.49 120.40 127.61 1wfs s VAL 49 Ca -0.05 0.86 0.09 0.00 0.00 0.00 0.00 61.98 62.88 1wfs s VAL 49 Cb -0.03 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 1wfs s VAL 49 CO -0.04 -0.49 -0.25 0.68 0.00 0.00 0.00 175.10 175.00 1wfs s VAL 50 N 3.19 2.05 0.53 2.92 -7.23 0.18 -1.87 120.40 120.17 1wfs s VAL 50 Ca 0.32 -1.42 -0.21 0.00 -1.81 0.00 0.00 61.98 58.87 1wfs s VAL 50 Cb -0.13 -1.77 -0.07 0.00 0.56 0.00 0.00 36.38 34.97 1wfs s VAL 50 CO 0.18 0.27 0.94 -0.11 -0.31 0.00 0.00 175.10 176.07 1wfs n LEU 51 N 1.62 3.02 -0.01 1.32 0.00 -1.26 -0.39 117.00 121.29 1wfs n LEU 51 Ca -0.17 0.89 -0.02 0.00 0.00 0.00 0.00 56.01 56.71 1wfs n LEU 51 Cb 0.52 -1.36 -0.01 0.00 0.00 0.00 0.00 43.42 42.57 1wfs n LEU 51 CO 0.23 -1.81 -0.59 1.21 0.00 0.00 0.00 177.39 176.43 1wfs n GLU 52 N -0.47 0.31 -3.75 1.96 2.13 0.68 -4.62 120.64 116.89 1wfs n GLU 52 Ca 0.12 0.01 -0.04 0.00 0.66 0.00 0.00 57.16 57.91 1wfs n GLU 52 Cb 0.44 -1.05 -0.01 0.00 0.27 0.00 0.00 31.44 31.08 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 -4.19 -0.20 -0.22 4.31 1.01 0.20 -5.01 116.67 112.57 1wfs s ASP 53 Ca -0.03 -0.41 -0.05 0.00 0.71 0.00 0.00 52.55 52.76 1wfs s ASP 53 Cb 0.01 0.52 0.11 0.00 1.01 0.00 0.00 42.92 44.56 1wfs s ASP 53 CO 0.06 -0.95 0.43 -1.61 0.21 0.00 0.00 175.17 173.31 1wfs s GLU 54 N -3.36 0.35 0.02 8.23 2.02 -1.26 -1.64 118.70 123.05 1wfs s GLU 54 Ca 0.12 0.91 0.04 0.00 0.02 0.00 0.00 54.97 56.06 1wfs s GLU 54 Cb -0.02 0.13 -0.03 0.00 0.10 0.00 0.00 34.13 34.31 1wfs s GLU 54 CO 0.02 -0.38 -0.09 -0.51 0.02 0.00 0.00 175.26 174.32 1wfs s LEU 55 N 2.62 3.06 0.17 1.80 1.43 -0.28 -5.00 118.68 122.47 1wfs s LEU 55 Ca 0.03 -0.22 0.08 0.00 -1.03 0.00 0.00 54.13 53.00 1wfs s LEU 55 Cb -0.13 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 1wfs s LEU 55 CO -0.14 0.27 -0.17 -1.10 0.23 0.00 0.00 176.35 175.43 1wfs s GLN 56 N -1.50 1.26 -1.27 1.70 1.11 -1.26 -0.56 119.66 119.14 1wfs s GLN 56 Ca 0.17 -1.42 -0.00 0.00 0.01 0.00 0.00 55.36 54.12 1wfs s GLN 56 Cb -0.11 -1.27 0.00 0.00 -1.01 0.00 0.00 33.01 30.62 1wfs s GLN 56 CO 0.08 0.25 0.80 0.09 0.01 0.00 0.00 175.29 176.52 1wfs n ASN 57 N 0.23 -1.50 -4.16 5.90 4.13 -0.23 -4.97 115.26 114.66 1wfs n ASN 57 Ca -0.13 -0.75 -0.23 0.00 1.68 0.00 0.00 54.58 55.15 1wfs n ASN 57 Cb 0.57 -4.42 -0.15 0.00 -1.54 0.00 0.00 39.78 34.25 1wfs n ASN 57 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 1wfs s ILE 58 N -3.56 1.31 0.77 2.41 -1.16 -1.25 -5.05 121.20 114.67 1wfs s ILE 58 Ca 0.01 -0.86 -0.10 0.00 -0.51 0.00 0.00 60.65 59.19 1wfs s ILE 58 Cb -0.00 -1.12 0.08 0.00 0.61 0.00 0.00 42.46 42.02 1wfs s ILE 58 CO 0.78 0.25 1.12 -0.44 -2.81 0.00 0.00 174.94 173.84 1wfs s SER 59 N -0.71 4.59 0.00 4.50 0.01 -1.26 -4.56 113.70 116.27 1wfs s SER 59 Ca 0.05 0.63 0.15 0.00 1.31 0.00 0.00 55.95 58.09 1wfs s SER 59 Cb -0.07 -1.17 0.79 0.00 0.21 0.00 0.00 66.02 65.78 1wfs s SER 59 CO 0.00 -1.81 1.39 -0.81 0.41 0.00 0.00 173.24 172.42 1wfs n PRO 60 N -3.17 0.28 -0.08 12.44 -0.04 -1.26 -2.35 135.00 140.82 1wfs n PRO 60 Ca 0.08 0.11 -0.08 0.00 -0.04 0.00 0.00 63.50 63.56 1wfs n PRO 60 Cb 0.61 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.21 0.68 0.02 0.54 1.02 -1.26 -4.11 120.64 116.33 1wfs n GLU 61 Ca 0.08 0.02 -0.18 0.00 -0.02 0.00 0.00 57.16 57.06 1wfs n GLU 61 Cb 0.10 -1.56 -0.12 0.00 -0.02 0.00 0.00 31.44 29.84 1wfs n GLU 61 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1wfs h GLU 62 N 0.00 0.41 -0.67 3.49 4.22 -1.83 -3.27 114.58 116.92 1wfs h GLU 62 Ca -0.48 -0.49 0.14 0.00 0.08 0.00 0.00 59.36 58.62 1wfs h GLU 62 Cb 2.14 0.15 -0.12 0.00 0.50 0.00 0.00 28.75 31.42 1wfs h GLU 62 CO 0.03 1.16 -0.01 1.25 -2.18 0.00 0.00 179.01 179.26 1wfs h LEU 63 N -0.13 -0.33 -1.84 1.64 6.46 -1.74 0.48 115.31 119.85 1wfs h LEU 63 Ca -0.10 0.17 0.02 0.00 -0.12 0.00 0.00 57.88 57.86 1wfs h LEU 63 Cb 1.44 0.31 -0.01 0.00 -0.73 0.00 0.00 40.66 41.67 1wfs h LEU 63 CO 0.14 -0.15 0.15 0.50 -0.62 0.00 0.00 178.44 178.46 1wfs h LYS 64 N 0.10 0.20 0.00 1.25 3.64 -1.75 0.88 116.57 120.89 1wfs h LYS 64 Ca 0.36 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 1wfs h LYS 64 Cb 0.59 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1wfs h LYS 64 CO -0.59 0.13 0.00 -0.07 -2.27 0.00 0.00 179.45 176.65 1wfs h LEU 65 N 0.21 0.00 0.00 5.20 -0.00 -0.13 -3.03 115.31 117.55 1wfs h LEU 65 Ca 0.09 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.85 1wfs h LEU 65 Cb 0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.75 1wfs h LEU 65 CO -0.02 0.00 -1.19 -0.33 -0.00 0.00 0.00 178.44 176.90 1wfs h GLU 66 N 0.00 0.00 -7.14 1.13 4.39 0.11 -3.47 114.58 109.60 1wfs h GLU 66 Ca 0.00 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 59.24 1wfs h GLU 66 Cb 0.66 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1wfs h GLU 66 CO 0.00 0.25 0.36 -0.51 -1.16 0.00 0.00 179.01 177.96 1wfs s LEU 67 N -5.79 3.74 0.00 1.33 1.43 -0.91 -5.07 118.68 113.40 1wfs s LEU 67 Ca -0.01 1.66 0.00 0.00 -1.03 0.00 0.00 54.13 54.74 1wfs s LEU 67 Cb 0.09 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.78 1wfs s LEU 67 CO 0.80 -0.57 0.00 -0.81 0.23 0.00 0.00 176.35 176.00 1wfs n PRO 68 N -1.25 -0.48 -0.00 1.29 -0.04 -1.26 -5.00 135.00 128.26 1wfs n PRO 68 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 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 -1.11 0.57 -2.76 0.54 0.28 -1.26 -4.78 120.64 112.12 1wfs n GLU 69 Ca 0.00 -0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.97 1wfs n GLU 69 Cb 0.00 -0.97 0.06 0.00 1.43 0.00 0.00 31.44 31.96 1wfs n GLU 69 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1wfs n ARG 70 N -1.47 1.50 -3.47 3.44 5.12 -1.26 -4.75 116.66 115.78 1wfs n ARG 70 Ca -0.00 -3.02 -0.21 0.00 -1.93 0.00 0.00 57.85 52.69 1wfs n ARG 70 Cb 0.01 -1.14 -0.12 0.00 -1.16 0.00 0.00 32.46 30.05 1wfs n ARG 70 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1wfs s GLN 71 N -2.84 0.24 0.17 5.56 -0.21 -1.26 -4.61 119.66 116.72 1wfs s GLN 71 Ca 0.24 -0.16 -0.30 0.00 0.02 0.00 0.00 55.36 55.16 1wfs s GLN 71 Cb 0.38 -0.98 -0.08 0.00 1.00 0.00 0.00 33.01 33.33 1wfs s GLN 71 CO -0.04 -0.92 1.32 -1.25 -2.12 0.00 0.00 175.29 172.28 1wfs s PRO 72 N 2.27 4.38 0.35 2.91 0.04 -1.26 -4.69 135.00 139.00 1wfs s PRO 72 Ca 0.08 2.04 -0.16 0.00 0.04 0.00 0.00 61.00 63.00 1wfs s PRO 72 Cb -0.15 -3.21 0.04 0.00 0.04 0.00 0.00 34.50 31.22 1wfs s PRO 72 CO -0.28 -0.29 0.74 -0.98 0.04 0.00 0.00 177.00 176.23 1wfs s ARG 73 N 0.22 2.08 -0.01 4.56 1.70 -1.16 -4.92 118.95 121.42 1wfs s ARG 73 Ca 0.59 -1.33 -0.07 0.00 -0.47 0.00 0.00 55.73 54.44 1wfs s ARG 73 Cb -0.36 0.61 -0.05 0.00 -0.57 0.00 0.00 34.95 34.58 1wfs s ARG 73 CO 0.36 -0.96 0.25 -0.06 -1.08 0.00 0.00 175.30 173.81 1wfs s PHE 74 N -2.84 3.59 -0.10 5.89 0.08 0.26 -3.36 117.98 121.50 1wfs s PHE 74 Ca 0.15 0.57 -0.04 0.00 0.12 0.00 0.00 56.93 57.74 1wfs s PHE 74 Cb -0.05 -1.98 0.05 0.00 -0.57 0.00 0.00 43.02 40.47 1wfs s PHE 74 CO 0.11 0.64 0.19 0.08 -0.10 0.00 0.00 175.22 176.13 1wfs s VAL 75 N -1.25 -0.27 -0.40 -0.44 1.01 -0.62 -0.05 120.40 118.38 1wfs s VAL 75 Ca 0.25 0.31 -0.05 0.00 0.00 0.00 0.00 61.98 62.49 1wfs s VAL 75 Cb -0.13 -0.33 0.09 0.00 0.00 0.00 0.00 36.38 36.01 1wfs s VAL 75 CO 0.14 0.13 0.20 -0.69 0.00 0.00 0.00 175.10 174.89 1wfs s VAL 76 N 2.16 3.62 -0.10 2.92 1.01 -0.19 -0.16 120.40 129.66 1wfs s VAL 76 Ca 0.01 -1.73 -0.09 0.00 0.00 0.00 0.00 61.98 60.17 1wfs s VAL 76 Cb -0.12 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 1wfs s VAL 76 CO -0.07 -0.56 0.21 -0.47 0.00 0.00 0.00 175.10 174.21 1wfs s TYR 77 N 1.27 3.61 -0.46 5.22 5.04 -1.21 -1.26 117.35 129.56 1wfs s TYR 77 Ca 0.04 0.62 -0.01 0.00 -2.44 0.00 0.00 57.07 55.29 1wfs s TYR 77 Cb -0.23 -2.05 0.12 0.00 0.35 0.00 0.00 41.96 40.16 1wfs s TYR 77 CO -0.01 0.67 0.24 0.45 -1.34 0.00 0.00 175.55 175.55 1wfs s SER 78 N -0.88 5.05 0.57 4.32 0.15 0.44 -2.57 113.70 120.78 1wfs s SER 78 Ca 0.17 -2.38 -0.10 0.00 0.70 0.00 0.00 55.95 54.33 1wfs s SER 78 Cb -0.13 -1.78 -0.04 0.00 -1.71 0.00 0.00 66.02 62.36 1wfs s SER 78 CO 0.06 -0.43 0.96 -0.47 1.20 0.00 0.00 173.24 174.56 1wfs s TYR 79 N 0.62 3.60 -0.37 3.44 5.04 -1.25 -3.27 117.35 125.15 1wfs s TYR 79 Ca 0.12 1.18 -0.01 0.00 -2.44 0.00 0.00 57.07 55.92 1wfs s TYR 79 Cb -0.22 -2.62 0.09 0.00 0.35 0.00 0.00 41.96 39.57 1wfs s TYR 79 CO -0.04 -0.55 0.12 0.21 -1.34 0.00 0.00 175.55 173.95 1wfs s LYS 80 N -4.96 1.98 -0.14 4.97 2.20 -1.26 -2.50 119.74 120.03 1wfs s LYS 80 Ca 0.53 -1.71 -0.14 0.00 -0.36 0.00 0.00 55.97 54.30 1wfs s LYS 80 Cb -0.11 -3.41 -0.05 0.00 -1.51 0.00 0.00 37.83 32.76 1wfs s LYS 80 CO 0.50 -0.94 0.30 -0.47 -0.36 0.00 0.00 175.35 174.38 1wfs s TYR 81 N 1.11 3.50 0.17 4.03 6.14 0.23 -4.94 117.35 127.60 1wfs s TYR 81 Ca 0.06 0.65 0.04 0.00 0.64 0.00 0.00 57.07 58.46 1wfs s TYR 81 Cb -0.21 -2.31 -0.04 0.00 0.42 0.00 0.00 41.96 39.82 1wfs s TYR 81 CO -0.04 0.32 0.21 0.54 0.64 0.00 0.00 175.55 177.21 1wfs s VAL 82 N 0.17 4.80 0.00 3.14 0.11 -1.26 -0.00 120.40 127.36 1wfs s VAL 82 Ca 0.18 -0.99 0.00 0.00 -2.93 0.00 0.00 61.98 58.24 1wfs s VAL 82 Cb -0.13 -3.49 0.00 0.00 -1.53 0.00 0.00 36.38 31.23 1wfs s VAL 82 CO 0.05 -0.15 0.00 1.41 -3.33 0.00 0.00 175.10 173.08 1wfs n HIS 83 N -0.58 0.00 0.00 1.54 -0.00 0.16 -4.95 115.22 111.38 1wfs n HIS 83 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.64 1wfs n HIS 83 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.54 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 -0.81 0.00 0.08 0.41 9.92 -1.26 -4.95 116.55 119.95 1wfs n ASP 84 Ca 0.00 0.00 0.07 0.00 -0.53 0.00 0.00 54.79 54.33 1wfs n ASP 84 Cb 0.00 0.00 0.35 0.00 -0.64 0.00 0.00 41.12 40.83 1wfs n ASP 84 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1wfs n ASP 85 N 0.00 0.32 0.00 -2.24 2.03 -1.26 -4.72 116.55 110.68 1wfs n ASP 85 Ca 0.00 0.62 0.00 0.00 0.52 0.00 0.00 54.79 55.93 1wfs n ASP 85 Cb 0.00 -0.67 0.00 0.00 -0.72 0.00 0.00 41.12 39.73 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 -0.82 1.52 3.28 0.27 0.00 -1.26 -5.14 105.19 103.04 1wfs n GLY 86 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 2.74 -0.03 1.61 1.81 -1.26 -5.03 118.95 118.78 1wfs s ARG 87 Ca 0.00 -0.87 0.00 0.00 -1.72 0.00 0.00 55.73 53.14 1wfs s ARG 87 Cb 0.00 -2.25 0.03 0.00 -0.45 0.00 0.00 34.95 32.28 1wfs s ARG 87 CO 0.00 0.33 -0.01 0.54 -0.68 0.00 0.00 175.30 175.49 1wfs s VAL 88 N -0.03 0.25 0.20 3.52 0.11 -1.26 0.36 120.40 123.54 1wfs s VAL 88 Ca -0.07 0.06 0.09 0.00 -2.93 0.00 0.00 61.98 59.13 1wfs s VAL 88 Cb -0.15 -0.34 -0.04 0.00 -1.53 0.00 0.00 36.38 34.32 1wfs s VAL 88 CO 0.05 0.17 -0.18 -0.44 -3.33 0.00 0.00 175.10 171.36 1wfs s SER 89 N 1.09 2.89 -0.56 3.54 0.01 0.99 -4.96 113.70 116.69 1wfs s SER 89 Ca -0.09 -0.93 -0.05 0.00 1.31 0.00 0.00 55.95 56.20 1wfs s SER 89 Cb -0.14 -0.19 0.15 0.00 0.21 0.00 0.00 66.02 66.05 1wfs s SER 89 CO -0.02 -0.04 0.39 -0.31 0.41 0.00 0.00 173.24 173.68 1wfs s TYR 90 N -2.29 3.49 -0.66 2.43 2.02 -1.26 0.77 117.35 121.85 1wfs s TYR 90 Ca 0.20 -2.42 -0.26 0.00 -0.37 0.00 0.00 57.07 54.22 1wfs s TYR 90 Cb -0.05 -3.32 -0.03 0.00 -0.40 0.00 0.00 41.96 38.17 1wfs s TYR 90 CO 0.08 -0.92 1.88 -1.25 -1.57 0.00 0.00 175.55 173.77 1wfs s PRO 91 N 0.52 2.61 0.02 -1.71 0.04 -1.04 -4.80 135.00 130.64 1wfs s PRO 91 Ca 0.13 0.48 -0.30 0.00 0.04 0.00 0.00 61.00 61.34 1wfs s PRO 91 Cb -0.21 -4.49 -0.05 0.00 0.04 0.00 0.00 34.50 29.78 1wfs s PRO 91 CO -0.04 -2.84 1.32 -0.51 0.04 0.00 0.00 177.00 174.98 1wfs s LEU 92 N 9.25 4.33 0.33 -3.56 1.02 -1.26 -3.92 118.68 124.87 1wfs s LEU 92 Ca 0.68 2.07 0.06 0.00 0.02 0.00 0.00 54.13 56.96 1wfs s LEU 92 Cb -0.12 -3.57 -0.07 0.00 0.02 0.00 0.00 46.19 42.46 1wfs s LEU 92 CO 0.17 -0.64 -0.01 0.00 0.02 0.00 0.00 176.35 175.90 1wfs s PHE 94 N -2.99 3.37 -0.15 0.00 5.36 0.45 -3.29 117.98 120.73 1wfs s PHE 94 Ca 0.34 -2.07 -0.17 0.00 -0.96 0.00 0.00 56.93 54.07 1wfs s PHE 94 Cb 0.07 -2.43 -0.04 0.00 -0.34 0.00 0.00 43.02 40.28 1wfs s PHE 94 CO 0.15 -0.85 0.43 0.42 -1.46 0.00 0.00 175.22 173.90 1wfs s ILE 95 N 1.21 5.21 -0.51 3.12 1.01 0.78 -0.24 121.20 131.77 1wfs s ILE 95 Ca -0.01 0.82 -0.03 0.00 0.00 0.00 0.00 60.65 61.43 1wfs s ILE 95 Cb -0.20 -3.76 0.13 0.00 0.01 0.00 0.00 42.46 38.64 1wfs s ILE 95 CO -0.02 0.31 0.31 0.12 0.00 0.00 0.00 174.94 175.66 1wfs s PHE 96 N 0.83 3.50 -0.82 3.97 5.36 -0.91 -1.60 117.98 128.33 1wfs s PHE 96 Ca 0.22 -2.53 -0.26 0.00 -0.96 0.00 0.00 56.93 53.40 1wfs s PHE 96 Cb -0.15 -3.22 0.03 0.00 -0.34 0.00 0.00 43.02 39.35 1wfs s PHE 96 CO 0.08 -0.92 1.34 0.45 -1.46 0.00 0.00 175.22 174.71 1wfs s SER 97 N 1.35 6.24 -0.42 6.13 0.15 -1.21 -2.23 113.70 123.70 1wfs s SER 97 Ca 0.12 -0.72 0.03 0.00 0.70 0.00 0.00 55.95 56.08 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 -0.04 -1.76 0.17 -0.94 1.20 0.00 0.00 173.24 171.88 1wfs s SER 98 N 4.14 4.27 0.96 5.45 1.04 -1.16 -2.97 113.70 125.43 1wfs s SER 98 Ca 0.38 -2.50 -0.12 0.00 0.48 0.00 0.00 55.95 54.20 1wfs s SER 98 Cb -0.06 -1.41 0.17 0.00 0.10 0.00 0.00 66.02 64.82 1wfs s SER 98 CO 0.08 -0.31 1.09 -2.16 0.98 0.00 0.00 173.24 172.93 1wfs s PRO 99 N 0.45 0.72 -0.09 4.02 0.04 -1.26 -4.52 135.00 134.37 1wfs s PRO 99 Ca 0.14 0.63 0.16 0.00 0.04 0.00 0.00 61.00 61.97 1wfs s PRO 99 Cb -0.22 -1.76 0.56 0.00 0.04 0.00 0.00 34.50 33.11 1wfs s PRO 99 CO -0.06 -2.56 1.48 1.55 0.04 0.00 0.00 177.00 177.45 1wfs n VAL 100 N -4.07 1.67 0.68 -0.36 3.14 -1.26 -4.30 118.33 113.82 1wfs n VAL 100 Ca 0.06 -1.29 0.08 0.00 -2.96 0.00 0.00 64.34 60.23 1wfs n VAL 100 Cb 0.56 0.16 0.00 0.00 -1.06 0.00 0.00 33.84 33.51 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 0.62 -0.05 2.58 7.55 0.00 -1.26 -5.00 105.19 109.63 1wfs n GLY 101 Ca 0.21 -0.44 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 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 -4.26 3.86 0.41 0.00 1.02 -1.26 -4.98 119.74 114.53 1wfs s LYS 103 Ca 0.45 0.41 0.29 0.00 0.02 0.00 0.00 55.97 57.14 1wfs s LYS 103 Cb -0.02 -2.55 1.21 0.00 -0.52 0.00 0.00 37.83 35.95 1wfs s LYS 103 CO 0.30 0.22 1.86 -1.00 -0.92 0.00 0.00 175.35 175.81 1wfs h PRO 104 N 2.28 0.00 0.00 -1.68 0.13 -1.99 -2.61 132.00 128.13 1wfs h PRO 104 Ca -0.47 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.54 1wfs h PRO 104 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1wfs h PRO 104 CO 0.67 0.00 -0.57 0.93 -0.23 0.00 0.00 178.00 178.80 1wfs h GLU 105 N 0.00 0.00 0.00 0.86 4.39 -2.00 -3.03 114.58 114.80 1wfs h GLU 105 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1wfs h GLU 105 Cb 0.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1wfs h GLU 105 CO 0.00 0.57 -0.53 1.04 -1.16 0.00 0.00 179.01 178.93 1wfs n GLN 106 N -3.80 0.43 -0.33 2.33 1.13 -1.05 -3.86 117.38 112.22 1wfs n GLN 106 Ca -0.01 0.46 0.32 0.00 -1.94 0.00 0.00 57.00 55.83 1wfs n GLN 106 Cb 0.59 -1.58 0.59 0.00 0.11 0.00 0.00 30.24 29.95 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 -4.41 -0.06 -0.15 -1.09 0.00 -1.01 0.15 117.38 110.81 1wfs n GLN 107 Ca -0.07 1.37 -0.09 0.00 -0.00 0.00 0.00 57.00 58.20 1wfs n GLN 107 Cb 0.28 -2.47 -0.00 0.00 0.00 0.00 0.00 30.24 28.05 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 0.68 -0.80 3.69 2.86 -1.72 0.42 114.93 120.06 1wfs h MET 108 Ca 0.85 -0.16 0.21 0.00 -2.06 0.00 0.00 59.70 58.54 1wfs h MET 108 Cb 2.27 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 33.80 1wfs h MET 108 CO -0.75 0.68 0.56 0.52 1.06 0.00 0.00 176.91 178.98 1wfs h MET 109 N 0.56 0.11 0.04 1.72 2.86 0.13 0.38 114.93 120.73 1wfs h MET 109 Ca 0.14 -0.01 -0.36 0.00 -2.06 0.00 0.00 59.70 57.42 1wfs h MET 109 Cb 0.29 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.88 1wfs h MET 109 CO -0.00 0.07 -2.14 0.66 1.06 0.00 0.00 176.91 176.56 1wfs n TYR 110 N -4.36 0.60 0.21 -0.22 4.02 -0.96 -2.88 117.16 113.57 1wfs n TYR 110 Ca 0.16 0.16 0.06 0.00 -0.01 0.00 0.00 57.90 58.28 1wfs n TYR 110 Cb 0.79 -1.09 0.48 0.00 -0.02 0.00 0.00 39.34 39.50 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 0.48 1.36 0.00 -0.72 0.00 0.95 0.56 119.26 121.89 1wfs h ALA 111 Ca -0.46 -0.25 -0.33 0.00 0.00 0.00 0.00 54.91 53.87 1wfs h ALA 111 Cb 2.04 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.73 1wfs h ALA 111 CO 0.03 0.34 -2.03 0.41 0.00 0.00 0.00 179.25 178.00 1wfs n GLY 112 N -0.53 -0.98 0.04 0.00 0.00 0.12 -4.21 105.19 99.64 1wfs n GLY 112 Ca -0.02 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.93 0.63 -0.04 1.61 7.64 -1.14 -4.30 113.62 115.10 1wfs n SER 113 Ca -0.25 -0.04 -0.12 0.00 1.01 0.00 0.00 58.87 59.46 1wfs n SER 113 Cb 1.10 0.35 -0.07 0.00 -1.01 0.00 0.00 64.21 64.58 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 -0.44 -0.63 1.43 3.64 -0.03 0.16 116.57 120.69 1wfs h LYS 114 Ca 0.00 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.51 1wfs h LYS 114 Cb 0.69 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.54 1wfs h LYS 114 CO 0.00 -0.30 0.24 -2.95 -2.27 0.00 0.00 179.45 174.17 1wfs h ASN 115 N -0.46 0.23 0.27 4.20 7.08 -1.82 0.22 115.58 125.29 1wfs h ASN 115 Ca 0.08 0.08 0.01 0.00 -3.08 0.00 0.00 56.30 53.39 1wfs h ASN 115 Cb 0.63 0.06 -0.03 0.00 -2.08 0.00 0.00 38.32 36.90 1wfs h ASN 115 CO -0.47 0.13 -0.35 -0.09 -2.08 0.00 0.00 177.43 174.57 1wfs h ARG 116 N 0.41 -0.65 0.70 4.14 9.65 -1.45 0.23 114.38 127.41 1wfs h ARG 116 Ca 0.32 0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 59.21 1wfs h ARG 116 Cb 0.41 0.15 0.01 0.00 -1.39 0.00 0.00 29.97 29.14 1wfs h ARG 116 CO -0.32 -0.43 -0.33 1.25 2.80 0.00 0.00 179.97 182.93 1wfs h LEU 117 N -0.67 -0.79 -0.58 3.80 5.85 -0.56 -2.36 115.31 119.99 1wfs h LEU 117 Ca -0.00 0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.85 1wfs h LEU 117 Cb 0.64 0.20 -0.11 0.00 0.37 0.00 0.00 40.66 41.76 1wfs h LEU 117 CO -0.12 -0.55 -0.15 0.58 -0.34 0.00 0.00 178.44 177.87 1wfs h VAL 118 N -0.97 0.41 -0.84 1.05 2.07 -0.52 0.22 116.25 117.67 1wfs h VAL 118 Ca -0.10 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.55 1wfs h VAL 118 Cb 0.73 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 30.84 1wfs h VAL 118 CO 0.16 0.00 0.55 1.56 0.02 0.00 0.00 177.57 179.85 1wfs h GLN 119 N -0.01 0.66 -0.41 1.57 4.20 -0.44 -1.11 115.11 119.57 1wfs h GLN 119 Ca 0.28 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.90 1wfs h GLN 119 Cb 0.43 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1wfs h GLN 119 CO -0.60 0.44 0.07 1.15 -0.67 0.00 0.00 178.83 179.21 1wfs h THR 120 N 0.68 1.24 0.00 -0.54 2.02 -0.04 -2.40 112.91 113.88 1wfs h THR 120 Ca 0.41 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1wfs h THR 120 Cb 0.62 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1wfs h THR 120 CO -0.17 0.30 0.00 0.00 0.37 0.00 0.00 175.52 176.02 1wfs h ALA 121 N 0.93 1.00 -2.52 6.16 0.00 -0.47 -3.47 119.26 120.90 1wfs h ALA 121 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.79 1wfs h ALA 121 Cb 0.37 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.18 1wfs h ALA 121 CO 0.01 0.00 -0.35 -1.91 0.00 0.00 0.00 179.25 177.00 1wfs n GLU 122 N -2.56 -2.32 -3.00 0.00 2.13 -0.53 -4.81 120.64 109.55 1wfs n GLU 122 Ca 0.02 0.57 -0.44 0.00 0.66 0.00 0.00 57.16 57.96 1wfs n GLU 122 Cb 0.27 -4.70 -0.04 0.00 0.27 0.00 0.00 31.44 27.24 1wfs n GLU 122 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1wfs s LEU 123 N -4.00 5.09 0.58 4.31 1.43 -1.18 -4.87 118.68 120.04 1wfs s LEU 123 Ca 0.12 -1.56 0.33 0.00 -1.03 0.00 0.00 54.13 51.99 1wfs s LEU 123 Cb -0.05 -2.36 1.82 0.00 0.03 0.00 0.00 46.19 45.63 1wfs s LEU 123 CO 0.15 -1.16 2.21 0.00 0.23 0.00 0.00 176.35 177.78 1wfs h THR 124 N 5.83 0.37 -3.16 5.49 1.03 -1.90 -3.37 112.91 117.20 1wfs h THR 124 Ca -0.14 -0.22 -0.75 0.00 -0.01 0.00 0.00 66.41 65.29 1wfs h THR 124 Cb 1.06 1.15 -0.24 0.00 -1.07 0.00 0.00 68.15 69.05 1wfs h THR 124 CO 1.10 0.04 -0.26 -0.54 -0.01 0.00 0.00 175.52 175.85 1wfs s LYS 125 N -4.30 2.92 -0.15 0.00 -0.14 -1.26 -5.03 119.74 111.78 1wfs s LYS 125 Ca -0.04 -1.65 -0.00 0.00 -1.36 0.00 0.00 55.97 52.92 1wfs s LYS 125 Cb 0.13 -4.22 0.04 0.00 -1.68 0.00 0.00 37.83 32.10 1wfs s LYS 125 CO 0.53 -1.26 -0.06 0.54 -0.76 0.00 0.00 175.35 174.34 1wfs s VAL 126 N 1.58 1.14 0.26 3.17 0.11 -1.26 -0.41 120.40 124.98 1wfs s VAL 126 Ca 0.03 -0.57 0.08 0.00 -2.93 0.00 0.00 61.98 58.59 1wfs s VAL 126 Cb -0.28 -1.26 -0.04 0.00 -1.53 0.00 0.00 36.38 33.27 1wfs s VAL 126 CO 0.03 0.20 0.15 -0.36 -3.33 0.00 0.00 175.10 171.80 1wfs s PHE 127 N 1.63 3.01 -0.10 1.54 0.08 0.66 -4.91 117.98 119.89 1wfs s PHE 127 Ca 0.02 -0.14 0.01 0.00 0.12 0.00 0.00 56.93 56.94 1wfs s PHE 127 Cb -0.15 -1.37 0.02 0.00 -0.57 0.00 0.00 43.02 40.96 1wfs s PHE 127 CO -0.08 0.54 -0.11 -2.00 -0.10 0.00 0.00 175.22 173.46 1wfs s GLU 128 N -3.81 1.81 -0.03 0.44 2.12 -1.26 -2.13 118.70 115.84 1wfs s GLU 128 Ca 0.33 -0.40 -0.01 0.00 0.36 0.00 0.00 54.97 55.25 1wfs s GLU 128 Cb -0.07 -1.65 -0.04 0.00 0.26 0.00 0.00 34.13 32.63 1wfs s GLU 128 CO 0.24 -0.13 0.06 0.96 -0.54 0.00 0.00 175.26 175.85 1wfs s ILE 129 N 1.20 4.63 -0.55 -3.70 -4.36 -0.95 -4.95 121.20 112.52 1wfs s ILE 129 Ca -0.04 -0.37 0.24 0.00 -0.26 0.00 0.00 60.65 60.23 1wfs s ILE 129 Cb -0.14 -3.07 0.21 0.00 1.25 0.00 0.00 42.46 40.70 1wfs s ILE 129 CO -0.03 0.42 1.52 -0.09 0.24 0.00 0.00 174.94 176.99 1wfs h ARG 130 N 4.37 0.00 -1.70 0.37 9.65 -1.85 -3.08 114.38 122.15 1wfs h ARG 130 Ca -0.50 0.00 0.04 0.00 -1.10 0.00 0.00 59.98 58.42 1wfs h ARG 130 Cb 1.19 0.00 -0.24 0.00 -1.39 0.00 0.00 29.97 29.53 1wfs h ARG 130 CO 0.60 0.00 0.39 -0.08 2.80 0.00 0.00 179.97 183.68 1wfs s THR 131 N -3.19 0.00 0.30 0.20 -1.32 -1.26 -4.06 115.64 106.31 1wfs s THR 131 Ca 0.07 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.56 1wfs s THR 131 Cb 0.10 -1.00 0.38 0.00 -1.51 0.00 0.00 72.50 70.47 1wfs s THR 131 CO 0.67 0.00 1.59 0.71 -2.21 0.00 0.00 174.62 175.38 1wfs h THR 132 N 3.41 0.10 -1.06 5.08 1.35 -1.90 0.50 112.91 120.39 1wfs h THR 132 Ca -0.26 -0.02 0.43 0.00 -0.55 0.00 0.00 66.41 66.01 1wfs h THR 132 Cb 1.17 0.05 -0.17 0.00 -1.73 0.00 0.00 68.15 67.46 1wfs h THR 132 CO 0.16 0.01 0.59 0.44 -0.25 0.00 0.00 175.52 176.47 1wfs h ASP 133 N 0.05 0.30 -0.36 5.36 3.32 -1.96 0.72 116.42 123.85 1wfs h ASP 133 Ca 0.58 0.24 0.06 0.00 0.02 0.00 0.00 57.03 57.94 1wfs h ASP 133 Cb 1.20 0.25 -0.06 0.00 0.22 0.00 0.00 39.33 40.94 1wfs h ASP 133 CO -0.85 -0.41 0.01 0.44 -1.72 0.00 0.00 179.24 176.71 1wfs h ASP 134 N 0.00 -0.11 -0.17 6.45 5.19 -0.41 -3.37 116.42 123.99 1wfs h ASP 134 Ca 0.85 0.08 -0.09 0.00 -0.62 0.00 0.00 57.03 57.25 1wfs h ASP 134 Cb 2.34 0.13 -0.03 0.00 0.18 0.00 0.00 39.33 41.95 1wfs h ASP 134 CO -0.72 -0.02 0.62 -0.11 -3.12 0.00 0.00 179.24 175.88 1wfs n LEU 135 N -5.16 0.51 -4.14 1.55 7.94 0.25 -4.58 117.00 113.37 1wfs n LEU 135 Ca 0.02 -1.43 -0.19 0.00 -1.11 0.00 0.00 56.01 53.30 1wfs n LEU 135 Cb 0.18 -1.29 -0.13 0.00 0.53 0.00 0.00 43.42 42.72 1wfs n LEU 135 CO 0.22 -2.43 -0.45 0.42 -1.11 0.00 0.00 177.39 174.03 1wfs s THR 136 N 10.13 1.04 0.38 1.96 -4.23 -1.26 -4.57 115.64 119.09 1wfs s THR 136 Ca 0.92 -1.08 0.25 0.00 -1.18 0.00 0.00 61.69 60.60 1wfs s THR 136 Cb -0.29 -0.97 0.40 0.00 1.34 0.00 0.00 72.50 72.98 1wfs s THR 136 CO 0.22 -0.10 1.49 1.21 -0.54 0.00 0.00 174.62 176.90 1wfs n GLU 137 N 1.70 -0.05 0.01 3.99 2.13 -1.26 -0.48 120.64 126.68 1wfs n GLU 137 Ca -0.19 1.25 -0.01 0.00 0.66 0.00 0.00 57.16 58.88 1wfs n GLU 137 Cb 0.55 -2.35 -0.00 0.00 0.27 0.00 0.00 31.44 29.90 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 -0.76 6.31 2.02 -1.95 -1.96 112.91 116.56 1wfs h THR 138 Ca 0.82 -0.14 0.22 0.00 0.77 0.00 0.00 66.41 68.08 1wfs h THR 138 Cb 2.39 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 68.77 1wfs h THR 138 CO -0.60 0.00 1.09 -0.25 0.37 0.00 0.00 175.52 176.13 1wfs h TRP 139 N -0.18 0.00 0.00 3.16 7.01 -1.55 0.36 115.95 124.75 1wfs h TRP 139 Ca -0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1wfs h TRP 139 Cb 0.03 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.09 1wfs h TRP 139 CO 0.03 0.00 -0.22 1.25 -2.79 0.00 0.00 178.44 176.71 1wfs h LEU 140 N 0.00 0.00 -2.16 0.65 7.12 -0.85 -3.30 115.31 116.77 1wfs h LEU 140 Ca 0.36 0.00 0.07 0.00 0.13 0.00 0.00 57.88 58.44 1wfs h LEU 140 Cb 2.53 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 42.65 1wfs h LEU 140 CO -0.00 0.57 0.24 0.11 -0.13 0.00 0.00 178.44 179.23 1wfs h LYS 141 N -0.93 0.00 -0.27 1.25 1.57 -0.09 -1.32 116.57 116.79 1wfs h LYS 141 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1wfs h LYS 141 Cb 0.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1wfs h LYS 141 CO 0.00 0.00 0.07 0.93 -0.57 0.00 0.00 179.45 179.88 1wfs h GLU 142 N 0.00 0.43 -0.28 3.15 5.08 -0.54 0.14 114.58 122.55 1wfs h GLU 142 Ca 0.11 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1wfs h GLU 142 Cb 0.59 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1wfs h GLU 142 CO -0.00 0.52 -0.09 0.87 -1.00 0.00 0.00 179.01 179.31 1wfs h LYS 143 N 0.26 0.46 -0.06 2.33 1.79 -1.32 -3.01 116.57 117.02 1wfs h LYS 143 Ca 0.08 -0.12 -0.12 0.00 -2.18 0.00 0.00 60.65 58.32 1wfs h LYS 143 Cb 0.28 -0.06 0.01 0.00 -1.58 0.00 0.00 32.23 30.88 1wfs h LYS 143 CO 0.00 0.56 -0.42 -0.07 -1.08 0.00 0.00 179.45 178.44 1wfs h LEU 144 N 0.43 0.46 0.00 2.94 3.38 -1.26 -3.46 115.31 117.81 1wfs h LEU 144 Ca 0.09 -0.68 -0.22 0.00 0.09 0.00 0.00 57.88 57.16 1wfs h LEU 144 Cb 0.42 -0.14 0.13 0.00 0.09 0.00 0.00 40.66 41.17 1wfs h LEU 144 CO 0.02 1.07 -0.11 0.00 0.09 0.00 0.00 178.44 179.52 1wfs n ALA 145 N -2.54 -3.19 -3.04 1.53 0.00 0.47 -5.04 120.51 108.71 1wfs n ALA 145 Ca -0.09 -0.93 -0.00 0.00 0.00 0.00 0.00 53.44 52.42 1wfs n ALA 145 Cb 0.56 -0.08 -0.00 0.00 0.00 0.00 0.00 19.45 19.93 1wfs n ALA 145 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wfs s SER 146 N -2.40 -1.37 0.00 0.00 0.15 -1.26 -4.99 113.70 103.83 1wfs s SER 146 Ca 0.40 -0.97 0.00 0.00 0.70 0.00 0.00 55.95 56.09 1wfs s SER 146 Cb -0.07 1.77 0.00 0.00 -1.71 0.00 0.00 66.02 66.00 1wfs s SER 146 CO 0.34 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.27 1wfs n GLY 147 N 3.91 6.90 1.63 9.45 0.00 -1.26 -5.16 105.19 120.66 1wfs n GLY 147 Ca 0.12 -1.83 -0.14 0.00 0.00 0.00 0.00 46.02 44.17 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 0.00 -2.01 -4.09 1.61 -0.04 -1.26 -5.05 135.00 124.16 1wfs n PRO 148 Ca 0.00 -0.81 -0.32 0.00 -0.04 0.00 0.00 63.50 62.32 1wfs n PRO 148 Cb 0.00 -0.76 -0.15 0.00 -0.04 0.00 0.00 33.50 32.54 1wfs n PRO 148 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wfs s SER 149 N -2.88 3.80 -0.18 3.54 0.15 -1.26 -5.10 113.70 111.77 1wfs s SER 149 Ca 0.33 -1.04 0.00 0.00 0.70 0.00 0.00 55.95 55.95 1wfs s SER 149 Cb -0.03 -1.50 0.01 0.00 -1.71 0.00 0.00 66.02 62.79 1wfs s SER 149 CO 0.25 -0.10 -0.18 -0.55 1.20 0.00 0.00 173.24 173.86 1wfs s SER 150 N 1.20 3.31 0.00 5.45 0.15 -1.26 -5.36 113.70 117.19 1wfs s SER 150 Ca -0.02 -0.60 0.00 0.00 0.70 0.00 0.00 55.95 56.02 1wfs s SER 150 Cb -0.17 -1.52 0.00 0.00 -1.71 0.00 0.00 66.02 62.63 1wfs s SER 150 CO -0.09 0.01 0.00 0.61 1.20 0.00 0.00 173.24 174.97