#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 0.03 0.04 1.61 7.64 -1.26 -5.08 113.62 116.61 1wfs n SER 2 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wfs n SER 2 Cb 0.00 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1wfs n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wfs n SER 3 N -2.99 -0.80 0.00 6.43 2.88 -1.26 -5.15 113.62 112.74 1wfs n SER 3 Ca 0.00 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1wfs n SER 3 Cb 0.46 1.03 0.00 0.00 -0.75 0.00 0.00 64.21 64.95 1wfs n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfs n GLY 4 N -1.13 1.00 1.71 0.46 0.00 -1.26 -4.80 105.19 101.18 1wfs n GLY 4 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1wfs n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfs n SER 5 N 0.88 0.12 0.00 1.61 2.88 -1.26 -5.03 113.62 112.82 1wfs n SER 5 Ca 0.00 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 1wfs n SER 5 Cb 0.00 0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 1wfs n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wfs n SER 6 N -3.10 0.00 0.00 -3.46 2.88 -1.26 -4.34 113.62 104.34 1wfs n SER 6 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wfs n SER 6 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1wfs n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfs n GLY 7 N 0.00 -1.97 3.08 0.46 0.00 -1.26 -5.14 105.19 100.36 1wfs n GLY 7 Ca 0.00 0.68 -0.26 0.00 0.00 0.00 0.00 46.02 46.44 1wfs n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wfs s SER 8 N 2.00 2.06 -0.43 1.61 0.01 -1.26 -5.08 113.70 112.60 1wfs s SER 8 Ca 0.00 -0.35 0.06 0.00 1.31 0.00 0.00 55.95 56.97 1wfs s SER 8 Cb 0.00 -0.84 0.18 0.00 0.21 0.00 0.00 66.02 65.56 1wfs s SER 8 CO 0.00 0.08 0.57 -0.62 0.41 0.00 0.00 173.24 173.68 1wfs s ASP 9 N 0.44 -0.63 -0.08 2.44 -1.08 -1.26 -5.14 116.67 111.36 1wfs s ASP 9 Ca -0.12 -1.39 -0.22 0.00 -0.52 0.00 0.00 52.55 50.30 1wfs s ASP 9 Cb -0.15 1.43 -0.04 0.00 -1.46 0.00 0.00 42.92 42.70 1wfs s ASP 9 CO 0.04 -0.16 0.64 -0.44 0.52 0.00 0.00 175.17 175.77 1wfs s SER 10 N 1.37 6.90 0.35 -0.34 0.01 -1.26 -5.06 113.70 115.67 1wfs s SER 10 Ca 0.21 1.08 0.06 0.00 1.31 0.00 0.00 55.95 58.61 1wfs s SER 10 Cb -0.05 -2.38 -0.03 0.00 0.21 0.00 0.00 66.02 63.77 1wfs s SER 10 CO -0.06 -0.09 0.24 -0.76 0.41 0.00 0.00 173.24 172.98 1wfs s LEU 11 N 0.79 1.81 -0.65 2.44 1.43 -1.26 -5.06 118.68 118.17 1wfs s LEU 11 Ca 0.34 -1.74 0.00 0.00 -1.03 0.00 0.00 54.13 51.70 1wfs s LEU 11 Cb -0.17 0.39 0.41 0.00 0.03 0.00 0.00 46.19 46.85 1wfs s LEU 11 CO 0.16 -1.04 1.80 0.55 0.23 0.00 0.00 176.35 178.05 1wfs n VAL 12 N -0.70 3.31 -1.05 -1.59 3.14 -1.26 -5.05 118.33 115.14 1wfs n VAL 12 Ca 0.04 -3.83 -0.34 0.00 -2.96 0.00 0.00 64.34 57.25 1wfs n VAL 12 Cb 0.63 -1.20 0.02 0.00 -1.06 0.00 0.00 33.84 32.23 1wfs n VAL 12 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 1wfs n VAL 13 N -0.71 0.00 -4.29 1.55 3.14 -1.26 -4.83 118.33 111.93 1wfs n VAL 13 Ca 0.54 -0.45 -0.16 0.00 -2.96 0.00 0.00 64.34 61.32 1wfs n VAL 13 Cb 0.56 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.24 1wfs n VAL 13 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wfs s GLU 15 N -3.72 1.70 -0.58 0.00 0.41 -0.89 -4.82 118.70 110.81 1wfs s GLU 15 Ca 0.20 -0.55 -0.11 0.00 -0.41 0.00 0.00 54.97 54.10 1wfs s GLU 15 Cb 0.02 -2.15 0.15 0.00 -1.78 0.00 0.00 34.13 30.36 1wfs s GLU 15 CO 0.03 -1.55 0.48 0.54 -0.49 0.00 0.00 175.26 174.27 1wfs s VAL 16 N -3.35 4.64 0.13 2.63 0.11 -1.26 -0.14 120.40 123.17 1wfs s VAL 16 Ca 0.65 -2.03 -0.19 0.00 -2.93 0.00 0.00 61.98 57.49 1wfs s VAL 16 Cb -0.08 -3.99 -0.11 0.00 -1.53 0.00 0.00 36.38 30.67 1wfs s VAL 16 CO 0.46 -0.86 0.35 -0.67 -3.33 0.00 0.00 175.10 171.05 1wfs n ASP 17 N 4.60 -0.82 0.15 3.54 2.03 -0.70 -4.62 116.55 120.73 1wfs n ASP 17 Ca -0.03 0.75 0.00 0.00 0.52 0.00 0.00 54.79 56.03 1wfs n ASP 17 Cb 0.41 -0.63 0.26 0.00 -0.72 0.00 0.00 41.12 40.44 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 0.67 0.04 0.00 -0.67 0.13 -1.97 -1.30 132.00 128.91 1wfs h PRO 18 Ca -0.19 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.86 1wfs h PRO 18 Cb 0.95 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 1wfs h PRO 18 CO 0.38 0.51 -0.33 1.05 -0.23 0.00 0.00 178.00 179.38 1wfs h GLU 19 N 0.03 0.00 0.04 0.86 -0.00 -1.94 -3.27 114.58 110.29 1wfs h GLU 19 Ca -0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 59.36 59.12 1wfs h GLU 19 Cb 0.87 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.59 1wfs h GLU 19 CO 0.06 0.33 -1.30 1.25 -0.00 0.00 0.00 179.01 179.35 1wfs h LEU 20 N 0.00 0.12 -0.75 3.06 6.46 -1.82 -3.35 115.31 119.03 1wfs h LEU 20 Ca -0.00 -0.66 0.17 0.00 -0.12 0.00 0.00 57.88 57.26 1wfs h LEU 20 Cb 0.84 -0.04 -0.14 0.00 -0.73 0.00 0.00 40.66 40.59 1wfs h LEU 20 CO 0.04 1.53 -0.13 1.17 -0.62 0.00 0.00 178.44 180.43 1wfs n LYS 21 N -4.23 -0.06 -0.02 1.25 4.81 -0.51 0.14 118.16 119.54 1wfs n LYS 21 Ca -0.29 1.15 -0.11 0.00 -0.87 0.00 0.00 58.31 58.18 1wfs n LYS 21 Cb 0.75 -1.75 -0.06 0.00 0.02 0.00 0.00 35.03 34.00 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 0.16 -0.92 1.64 5.08 -1.74 -2.67 114.58 116.14 1wfs h GLU 22 Ca 0.38 -0.02 0.26 0.00 -1.00 0.00 0.00 59.36 58.98 1wfs h GLU 22 Cb 0.65 -0.03 -0.14 0.00 0.50 0.00 0.00 28.75 29.73 1wfs h GLU 22 CO -0.75 0.24 0.34 1.15 -1.00 0.00 0.00 179.01 178.99 1wfs h THR 23 N 0.04 0.33 0.21 1.13 2.02 0.11 0.30 112.91 117.05 1wfs h THR 23 Ca 0.04 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1wfs h THR 23 Cb 0.13 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.59 1wfs h THR 23 CO -0.00 0.05 -0.10 -0.07 0.37 0.00 0.00 175.52 175.76 1wfs h LEU 24 N 0.26 -0.24 -1.95 2.58 3.38 -1.16 0.20 115.31 118.39 1wfs h LEU 24 Ca 0.60 -0.21 0.08 0.00 0.09 0.00 0.00 57.88 58.44 1wfs h LEU 24 Cb 1.26 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 1wfs h LEU 24 CO -0.63 0.09 0.22 -0.09 0.09 0.00 0.00 178.44 178.12 1wfs h ARG 25 N -0.59 0.06 0.20 1.13 2.43 -0.75 -1.84 114.38 115.02 1wfs h ARG 25 Ca -0.03 -0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.87 1wfs h ARG 25 Cb 0.43 -0.01 0.03 0.00 -0.42 0.00 0.00 29.97 30.00 1wfs h ARG 25 CO 0.05 0.04 -1.19 0.87 -1.51 0.00 0.00 179.97 178.23 1wfs h LYS 26 N 0.06 0.42 -0.85 0.20 1.79 -0.32 -3.19 116.57 114.68 1wfs h LYS 26 Ca 0.15 -0.72 0.10 0.00 -2.18 0.00 0.00 60.65 58.00 1wfs h LYS 26 Cb 0.51 0.27 -0.08 0.00 -1.58 0.00 0.00 32.23 31.35 1wfs h LYS 26 CO -0.01 1.34 0.49 0.35 -1.08 0.00 0.00 179.45 180.54 1wfs h PHE 27 N -0.11 0.89 0.00 -1.35 3.57 0.20 1.43 116.94 121.57 1wfs h PHE 27 Ca -0.21 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.24 1wfs h PHE 27 Cb 1.92 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 40.37 1wfs h PHE 27 CO 0.16 0.34 -0.37 0.00 -2.23 0.00 0.00 178.31 176.21 1wfs h ARG 28 N 0.80 0.00 -0.67 1.11 3.08 -1.50 -3.11 114.38 114.08 1wfs h ARG 28 Ca 0.42 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.99 1wfs h ARG 28 Cb 0.42 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.05 1wfs h ARG 28 CO -0.26 0.37 -0.86 1.19 -1.07 0.00 0.00 179.97 179.33 1wfs n PHE 29 N -4.05 2.42 -1.42 3.04 3.72 0.04 -5.07 117.46 116.13 1wfs n PHE 29 Ca -0.02 -2.18 -0.30 0.00 -0.05 0.00 0.00 57.45 54.90 1wfs n PHE 29 Cb 0.41 -0.32 0.09 0.00 -0.94 0.00 0.00 39.48 38.72 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 -3.61 2.16 -0.14 -1.08 1.70 0.47 -4.91 118.95 113.55 1wfs s ARG 30 Ca 0.47 0.87 0.07 0.00 -0.47 0.00 0.00 55.73 56.67 1wfs s ARG 30 Cb 0.39 -1.91 0.45 0.00 -0.57 0.00 0.00 34.95 33.32 1wfs s ARG 30 CO 0.02 -1.63 1.21 1.63 -1.08 0.00 0.00 175.30 175.46 1wfs n LYS 31 N -3.47 3.07 -3.08 3.89 4.76 -1.26 -4.90 118.16 117.17 1wfs n LYS 31 Ca 0.08 -1.74 -0.20 0.00 -2.87 0.00 0.00 58.31 53.57 1wfs n LYS 31 Cb 0.55 -1.91 0.06 0.00 -1.84 0.00 0.00 35.03 31.89 1wfs n LYS 31 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1wfs s GLU 32 N -1.97 2.26 0.00 1.97 8.01 -1.26 -5.06 118.70 122.65 1wfs s GLU 32 Ca 0.30 -1.70 0.07 0.00 0.01 0.00 0.00 54.97 53.66 1wfs s GLU 32 Cb 0.23 -2.61 0.12 0.00 -4.31 0.00 0.00 34.13 27.56 1wfs s GLU 32 CO 0.09 -0.90 0.95 0.25 0.01 0.00 0.00 175.26 175.65 1wfs n THR 33 N -2.25 0.00 -4.50 3.63 -2.24 -1.26 -5.13 114.28 102.53 1wfs n THR 33 Ca 0.15 -0.28 -0.24 0.00 -2.27 0.00 0.00 64.05 61.42 1wfs n THR 33 Cb 0.62 0.54 -0.06 0.00 -2.10 0.00 0.00 70.33 69.33 1wfs n THR 33 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1wfs n ASN 34 N 0.14 1.87 -4.71 3.42 6.94 -1.26 -5.09 115.26 116.57 1wfs n ASN 34 Ca -0.09 -2.88 -0.41 0.00 -0.02 0.00 0.00 54.58 51.18 1wfs n ASN 34 Cb 0.78 0.69 -0.04 0.00 -2.36 0.00 0.00 39.78 38.86 1wfs n ASN 34 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1wfs s ASN 35 N -3.23 7.18 0.05 0.53 0.01 -1.26 -4.86 114.94 113.36 1wfs s ASN 35 Ca 0.12 1.43 -0.00 0.00 -0.71 0.00 0.00 52.86 53.69 1wfs s ASN 35 Cb 0.01 -2.50 -0.03 0.00 0.41 0.00 0.00 41.25 39.13 1wfs s ASN 35 CO 0.08 -0.22 -0.04 0.00 -1.51 0.00 0.00 177.10 175.42 1wfs s ALA 36 N 1.03 0.45 0.06 0.60 0.00 -1.17 0.54 121.76 123.25 1wfs s ALA 36 Ca 0.45 -1.03 0.04 0.00 0.00 0.00 0.00 51.96 51.42 1wfs s ALA 36 Cb -0.19 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 1wfs s ALA 36 CO 0.23 -0.29 -0.12 0.00 0.00 0.00 0.00 175.76 175.58 1wfs s ALA 37 N -3.12 0.93 -0.19 0.00 0.00 0.50 -0.05 121.76 119.83 1wfs s ALA 37 Ca 0.00 -0.87 -0.03 0.00 0.00 0.00 0.00 51.96 51.06 1wfs s ALA 37 Cb 0.02 -0.06 0.06 0.00 0.00 0.00 0.00 23.12 23.15 1wfs s ALA 37 CO -0.07 0.10 0.04 0.42 0.00 0.00 0.00 175.76 176.26 1wfs s ILE 38 N -1.23 0.47 -0.37 0.00 1.01 -0.28 -1.72 121.20 119.09 1wfs s ILE 38 Ca -0.04 -0.52 -0.17 0.00 0.00 0.00 0.00 60.65 59.92 1wfs s ILE 38 Cb -0.10 -0.99 -0.00 0.00 0.01 0.00 0.00 42.46 41.38 1wfs s ILE 38 CO 0.01 -0.22 0.43 -0.63 0.00 0.00 0.00 174.94 174.53 1wfs s ILE 39 N 1.88 5.10 -0.04 2.92 1.01 -0.74 -0.09 121.20 131.24 1wfs s ILE 39 Ca -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.65 1wfs s ILE 39 Cb -0.17 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 1wfs s ILE 39 CO -0.08 -0.22 0.05 -0.04 0.00 0.00 0.00 174.94 174.65 1wfs s MET 40 N 2.16 3.03 0.43 2.79 -1.94 0.30 -1.08 119.30 125.00 1wfs s MET 40 Ca 0.14 -0.45 0.06 0.00 -1.71 0.00 0.00 55.69 53.73 1wfs s MET 40 Cb -0.16 -2.84 -0.05 0.00 2.01 0.00 0.00 34.83 33.78 1wfs s MET 40 CO 0.13 0.67 0.09 -1.59 -0.01 0.00 0.00 175.02 174.31 1wfs s LYS 41 N -1.39 2.11 -0.21 2.03 -2.85 0.71 -1.73 119.74 118.40 1wfs s LYS 41 Ca 0.19 -2.04 0.00 0.00 -1.00 0.00 0.00 55.97 53.11 1wfs s LYS 41 Cb -0.12 -1.78 0.05 0.00 -2.06 0.00 0.00 37.83 33.93 1wfs s LYS 41 CO 0.09 -0.14 -0.05 0.54 0.10 0.00 0.00 175.35 175.88 1wfs s VAL 42 N -2.69 1.36 -0.21 1.79 0.11 -1.26 0.11 120.40 119.61 1wfs s VAL 42 Ca 0.33 -1.01 -0.29 0.00 -2.93 0.00 0.00 61.98 58.08 1wfs s VAL 42 Cb 0.06 -1.61 -0.01 0.00 -1.53 0.00 0.00 36.38 33.29 1wfs s VAL 42 CO 0.18 -0.04 1.30 -1.81 -3.33 0.00 0.00 175.10 171.40 1wfs s ASP 43 N 1.49 6.83 0.51 3.54 1.01 -0.40 -4.88 116.67 124.78 1wfs s ASP 43 Ca -0.04 1.55 0.21 0.00 0.71 0.00 0.00 52.55 54.99 1wfs s ASP 43 Cb -0.18 -2.54 1.35 0.00 1.01 0.00 0.00 42.92 42.56 1wfs s ASP 43 CO -0.07 -0.88 2.11 0.50 0.21 0.00 0.00 175.17 177.04 1wfs h LYS 44 N 8.67 0.00 -0.20 8.23 3.64 -1.96 1.14 116.57 136.08 1wfs h LYS 44 Ca -0.27 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.04 1wfs h LYS 44 Cb 1.10 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1wfs h LYS 44 CO 0.99 0.08 -0.16 0.22 -2.27 0.00 0.00 179.45 178.32 1wfs h ASP 45 N 0.00 0.49 -0.27 4.20 1.82 -1.97 -3.15 116.42 117.54 1wfs h ASP 45 Ca -0.00 -0.45 0.00 0.00 -0.39 0.00 0.00 57.03 56.18 1wfs h ASP 45 Cb 0.17 -0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.05 1wfs h ASP 45 CO 0.01 0.84 0.00 0.54 -1.61 0.00 0.00 179.24 179.02 1wfs n ARG 46 N -4.49 2.36 -4.16 0.28 1.74 -0.95 -4.95 116.66 106.49 1wfs n ARG 46 Ca -0.05 -2.04 -0.34 0.00 -0.77 0.00 0.00 57.85 54.65 1wfs n ARG 46 Cb 0.37 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 30.25 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 1.30 -0.82 -4.07 5.56 1.13 0.39 -4.84 117.38 116.03 1wfs n GLN 47 Ca 0.18 0.11 -0.09 0.00 -1.94 0.00 0.00 57.00 55.26 1wfs n GLN 47 Cb 0.57 -3.81 -0.10 0.00 0.11 0.00 0.00 30.24 27.01 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 -6.65 0.56 -0.38 -1.09 0.23 -1.13 -2.09 119.30 108.75 1wfs s MET 48 Ca 0.48 -1.02 -0.22 0.00 -1.03 0.00 0.00 55.69 53.90 1wfs s MET 48 Cb -0.28 0.06 0.01 0.00 -1.53 0.00 0.00 34.83 33.09 1wfs s MET 48 CO 0.90 -0.06 0.71 0.08 -2.03 0.00 0.00 175.02 174.62 1wfs s VAL 49 N -2.93 4.79 0.07 5.16 1.01 0.81 -1.28 120.40 128.04 1wfs s VAL 49 Ca -0.00 0.65 0.10 0.00 0.00 0.00 0.00 61.98 62.73 1wfs s VAL 49 Cb 0.01 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 1wfs s VAL 49 CO -0.06 -0.43 -0.27 0.68 0.00 0.00 0.00 175.10 175.03 1wfs s VAL 50 N 2.94 2.18 0.50 2.92 -7.23 0.30 -1.72 120.40 120.29 1wfs s VAL 50 Ca 0.28 -1.51 -0.21 0.00 -1.81 0.00 0.00 61.98 58.72 1wfs s VAL 50 Cb -0.14 -1.88 -0.09 0.00 0.56 0.00 0.00 36.38 34.83 1wfs s VAL 50 CO 0.17 0.27 0.83 -0.11 -0.31 0.00 0.00 175.10 175.95 1wfs n LEU 51 N 1.49 2.13 0.00 1.32 7.94 -1.26 -0.21 117.00 128.40 1wfs n LEU 51 Ca -0.17 0.89 0.00 0.00 -1.11 0.00 0.00 56.01 55.62 1wfs n LEU 51 Cb 0.52 -1.29 0.00 0.00 0.53 0.00 0.00 43.42 43.18 1wfs n LEU 51 CO 0.23 -2.12 -0.44 1.21 -1.11 0.00 0.00 177.39 175.15 1wfs n GLU 52 N -0.14 0.00 -3.56 1.96 2.13 -0.24 -4.59 120.64 116.20 1wfs n GLU 52 Ca 0.11 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.83 1wfs n GLU 52 Cb 0.43 -0.85 -0.03 0.00 0.27 0.00 0.00 31.44 31.26 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 -4.10 -0.43 -0.26 4.31 1.01 -0.47 -5.02 116.67 111.72 1wfs s ASP 53 Ca 0.00 -0.20 -0.02 0.00 0.71 0.00 0.00 52.55 53.04 1wfs s ASP 53 Cb 0.00 0.60 0.14 0.00 1.01 0.00 0.00 42.92 44.67 1wfs s ASP 53 CO 0.00 -1.02 0.39 -1.61 0.21 0.00 0.00 175.17 173.14 1wfs s GLU 54 N -3.80 0.36 -0.10 8.23 2.02 -1.26 -1.80 118.70 122.35 1wfs s GLU 54 Ca 0.04 0.43 -0.01 0.00 0.02 0.00 0.00 54.97 55.45 1wfs s GLU 54 Cb -0.01 -0.43 -0.03 0.00 0.10 0.00 0.00 34.13 33.76 1wfs s GLU 54 CO -0.09 -0.74 -0.04 -0.51 0.02 0.00 0.00 175.26 173.90 1wfs s LEU 55 N 2.54 3.28 0.31 1.80 1.43 -0.70 -5.00 118.68 122.34 1wfs s LEU 55 Ca 0.12 -0.02 0.09 0.00 -1.03 0.00 0.00 54.13 53.28 1wfs s LEU 55 Cb -0.15 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 1wfs s LEU 55 CO -0.19 0.30 0.09 -1.10 0.23 0.00 0.00 176.35 175.67 1wfs s GLN 56 N -0.42 2.35 -1.27 1.70 1.11 -1.26 -0.37 119.66 121.49 1wfs s GLN 56 Ca 0.07 -1.50 -0.22 0.00 0.01 0.00 0.00 55.36 53.72 1wfs s GLN 56 Cb -0.12 -2.17 0.02 0.00 -1.01 0.00 0.00 33.01 29.73 1wfs s GLN 56 CO 0.02 0.21 0.59 0.27 0.01 0.00 0.00 175.29 176.39 1wfs n ASN 57 N -1.05 -3.25 -4.11 5.90 0.23 0.19 -4.92 115.26 108.24 1wfs n ASN 57 Ca -0.04 -1.18 -0.22 0.00 -0.53 0.00 0.00 54.58 52.61 1wfs n ASN 57 Cb 0.60 -2.33 -0.15 0.00 -2.08 0.00 0.00 39.78 35.83 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 -3.69 1.11 0.75 1.53 -1.16 -0.54 -4.97 121.20 114.23 1wfs s ILE 58 Ca 0.36 -0.64 -0.10 0.00 -0.51 0.00 0.00 60.65 59.76 1wfs s ILE 58 Cb -0.17 -0.93 0.07 0.00 0.61 0.00 0.00 42.46 42.04 1wfs s ILE 58 CO 0.93 0.28 1.10 -0.94 -2.81 0.00 0.00 174.94 173.51 1wfs s SER 59 N -0.41 4.71 0.00 4.50 1.04 -1.26 -4.49 113.70 117.79 1wfs s SER 59 Ca 0.05 0.66 0.16 0.00 0.48 0.00 0.00 55.95 57.30 1wfs s SER 59 Cb -0.06 -1.25 0.91 0.00 0.10 0.00 0.00 66.02 65.72 1wfs s SER 59 CO -0.00 -1.73 1.35 -0.81 0.98 0.00 0.00 173.24 173.03 1wfs n PRO 60 N -3.12 0.45 -0.09 4.02 -0.04 -1.26 -2.37 135.00 132.59 1wfs n PRO 60 Ca 0.08 0.02 -0.11 0.00 -0.04 0.00 0.00 63.50 63.45 1wfs n PRO 60 Cb 0.60 -1.50 -0.15 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 -1.04 0.68 -0.02 0.54 1.02 -1.26 -4.17 120.64 116.39 1wfs n GLU 61 Ca 0.11 0.06 -0.16 0.00 -0.02 0.00 0.00 57.16 57.15 1wfs n GLU 61 Cb 0.06 -1.56 -0.12 0.00 -0.02 0.00 0.00 31.44 29.81 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 0.22 -0.78 3.49 4.22 -1.84 -3.26 114.58 116.63 1wfs h GLU 62 Ca -0.52 -0.24 0.18 0.00 0.08 0.00 0.00 59.36 58.86 1wfs h GLU 62 Cb 2.17 0.07 -0.13 0.00 0.50 0.00 0.00 28.75 31.36 1wfs h GLU 62 CO 0.02 0.98 0.04 1.25 -2.18 0.00 0.00 179.01 179.12 1wfs h LEU 63 N -0.44 -0.29 -1.42 1.64 6.46 -1.76 0.54 115.31 120.05 1wfs h LEU 63 Ca -0.04 0.20 0.03 0.00 -0.12 0.00 0.00 57.88 57.95 1wfs h LEU 63 Cb 1.10 0.33 -0.04 0.00 -0.73 0.00 0.00 40.66 41.32 1wfs h LEU 63 CO 0.07 -0.17 0.42 0.50 -0.62 0.00 0.00 178.44 178.64 1wfs h LYS 64 N 0.12 0.74 0.00 1.25 3.64 -1.75 0.31 116.57 120.88 1wfs h LYS 64 Ca 0.43 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1wfs h LYS 64 Cb 0.78 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1wfs h LYS 64 CO -0.66 0.49 -0.01 -0.07 -2.27 0.00 0.00 179.45 176.93 1wfs h LEU 65 N 0.76 0.00 0.00 5.20 -0.00 0.01 -2.77 115.31 118.51 1wfs h LEU 65 Ca 0.26 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 58.03 1wfs h LEU 65 Cb 0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.72 1wfs h LEU 65 CO -0.07 0.01 -1.00 -0.33 -0.00 0.00 0.00 178.44 177.05 1wfs h GLU 66 N 0.00 0.00 -7.20 1.13 4.39 0.05 -3.47 114.58 109.49 1wfs h GLU 66 Ca -0.00 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.22 1wfs h GLU 66 Cb 0.59 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.28 1wfs h GLU 66 CO 0.00 0.27 0.38 -0.51 -1.16 0.00 0.00 179.01 177.99 1wfs s LEU 67 N -5.91 3.55 0.00 1.33 1.43 -0.75 -5.06 118.68 113.26 1wfs s LEU 67 Ca 0.00 1.70 0.00 0.00 -1.03 0.00 0.00 54.13 54.80 1wfs s LEU 67 Cb 0.08 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.78 1wfs s LEU 67 CO 0.78 -0.91 0.00 -0.81 0.23 0.00 0.00 176.35 175.64 1wfs n PRO 68 N -1.85 -0.85 -0.04 1.29 -0.04 -1.26 -4.99 135.00 127.26 1wfs n PRO 68 Ca 0.08 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.51 1wfs n PRO 68 Cb 0.53 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.92 1wfs n PRO 68 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wfs n GLU 69 N -1.38 2.12 -2.69 0.54 0.28 -1.26 -4.79 120.64 113.46 1wfs n GLU 69 Ca 0.00 -0.02 -0.08 0.00 -0.16 0.00 0.00 57.16 56.90 1wfs n GLU 69 Cb 0.00 -1.23 0.07 0.00 1.43 0.00 0.00 31.44 31.71 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 -2.24 1.16 -3.65 3.44 5.12 -1.26 -4.79 116.66 114.43 1wfs n ARG 70 Ca -0.12 -2.60 -0.22 0.00 -1.93 0.00 0.00 57.85 52.98 1wfs n ARG 70 Cb 0.69 -0.72 -0.18 0.00 -1.16 0.00 0.00 32.46 31.10 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 -1.58 0.00 0.27 5.56 -0.21 -1.26 -4.47 119.66 117.97 1wfs s GLN 71 Ca 0.25 0.19 -0.29 0.00 0.02 0.00 0.00 55.36 55.53 1wfs s GLN 71 Cb 0.43 -1.03 -0.10 0.00 1.00 0.00 0.00 33.01 33.31 1wfs s GLN 71 CO -0.02 -0.46 1.26 -1.25 -2.12 0.00 0.00 175.29 172.70 1wfs s PRO 72 N 2.15 4.44 -0.03 2.91 0.04 -1.26 -4.74 135.00 138.51 1wfs s PRO 72 Ca 0.04 2.06 -0.30 0.00 0.04 0.00 0.00 61.00 62.83 1wfs s PRO 72 Cb -0.14 -3.15 0.11 0.00 0.04 0.00 0.00 34.50 31.37 1wfs s PRO 72 CO -0.05 -0.12 1.04 -0.98 0.04 0.00 0.00 177.00 176.93 1wfs s ARG 73 N -1.08 0.70 0.10 4.56 1.70 -0.90 -4.95 118.95 119.08 1wfs s ARG 73 Ca 0.51 -0.31 -0.05 0.00 -0.47 0.00 0.00 55.73 55.41 1wfs s ARG 73 Cb -0.37 0.29 -0.05 0.00 -0.57 0.00 0.00 34.95 34.25 1wfs s ARG 73 CO 0.45 -0.31 0.34 -0.06 -1.08 0.00 0.00 175.30 174.63 1wfs s PHE 74 N -2.88 3.51 -0.15 5.89 0.08 -0.71 -1.61 117.98 122.12 1wfs s PHE 74 Ca 0.09 0.55 -0.07 0.00 0.12 0.00 0.00 56.93 57.62 1wfs s PHE 74 Cb -0.00 -1.99 0.07 0.00 -0.57 0.00 0.00 43.02 40.52 1wfs s PHE 74 CO -0.05 0.50 0.34 0.08 -0.10 0.00 0.00 175.22 175.98 1wfs s VAL 75 N -1.54 -0.30 -0.45 -0.44 1.01 -0.36 -0.54 120.40 117.78 1wfs s VAL 75 Ca 0.37 0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.44 1wfs s VAL 75 Cb -0.13 -0.53 0.11 0.00 0.00 0.00 0.00 36.38 35.83 1wfs s VAL 75 CO 0.23 0.07 0.31 -0.69 0.00 0.00 0.00 175.10 175.02 1wfs s VAL 76 N 1.98 4.14 -0.09 2.92 1.01 0.87 0.50 120.40 131.74 1wfs s VAL 76 Ca -0.04 -1.68 -0.12 0.00 0.00 0.00 0.00 61.98 60.14 1wfs s VAL 76 Cb -0.11 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1wfs s VAL 76 CO -0.11 -0.68 0.29 -0.47 0.00 0.00 0.00 175.10 174.13 1wfs s TYR 77 N 1.37 3.61 -0.45 5.22 5.04 -1.15 -1.12 117.35 129.86 1wfs s TYR 77 Ca 0.05 0.72 0.00 0.00 -2.44 0.00 0.00 57.07 55.41 1wfs s TYR 77 Cb -0.25 -2.19 0.12 0.00 0.35 0.00 0.00 41.96 39.99 1wfs s TYR 77 CO -0.00 0.56 0.21 0.45 -1.34 0.00 0.00 175.55 175.43 1wfs s SER 78 N -0.61 4.95 0.69 4.32 0.15 0.93 -2.19 113.70 121.94 1wfs s SER 78 Ca 0.19 -2.39 -0.08 0.00 0.70 0.00 0.00 55.95 54.36 1wfs s SER 78 Cb -0.14 -1.74 0.04 0.00 -1.71 0.00 0.00 66.02 62.46 1wfs s SER 78 CO 0.07 -0.41 1.02 -0.47 1.20 0.00 0.00 173.24 174.66 1wfs s TYR 79 N 0.60 3.12 -0.24 3.44 5.04 -1.25 -3.07 117.35 124.99 1wfs s TYR 79 Ca 0.12 0.69 0.02 0.00 -2.44 0.00 0.00 57.07 55.46 1wfs s TYR 79 Cb -0.22 -3.07 0.05 0.00 0.35 0.00 0.00 41.96 39.07 1wfs s TYR 79 CO -0.04 -1.24 -0.10 0.21 -1.34 0.00 0.00 175.55 173.04 1wfs s LYS 80 N -5.25 2.13 -0.11 4.97 2.20 -1.26 -2.54 119.74 119.88 1wfs s LYS 80 Ca 0.58 -1.15 -0.03 0.00 -0.36 0.00 0.00 55.97 55.01 1wfs s LYS 80 Cb -0.11 -2.72 -0.03 0.00 -1.51 0.00 0.00 37.83 33.45 1wfs s LYS 80 CO 0.47 -0.52 0.02 -0.47 -0.36 0.00 0.00 175.35 174.48 1wfs s TYR 81 N 1.23 3.20 0.32 4.03 6.14 0.12 -4.97 117.35 127.42 1wfs s TYR 81 Ca -0.06 0.14 0.07 0.00 0.64 0.00 0.00 57.07 57.86 1wfs s TYR 81 Cb -0.19 -1.87 -0.03 0.00 0.42 0.00 0.00 41.96 40.29 1wfs s TYR 81 CO -0.06 0.37 0.28 0.54 0.64 0.00 0.00 175.55 177.32 1wfs s VAL 82 N -0.52 3.69 0.00 3.14 0.11 -1.26 -0.29 120.40 125.27 1wfs s VAL 82 Ca 0.09 -1.36 0.00 0.00 -2.93 0.00 0.00 61.98 57.78 1wfs s VAL 82 Cb -0.12 -3.23 0.00 0.00 -1.53 0.00 0.00 36.38 31.51 1wfs s VAL 82 CO 0.02 -0.20 0.00 1.41 -3.33 0.00 0.00 175.10 173.00 1wfs n HIS 83 N -1.35 0.00 0.00 1.54 8.25 0.21 -4.94 115.22 118.93 1wfs n HIS 83 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1wfs n HIS 83 Cb 0.59 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.70 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 -0.48 0.00 0.00 0.41 2.03 -1.26 -4.94 116.55 112.31 1wfs n ASP 84 Ca 0.00 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.43 1wfs n ASP 84 Cb 0.00 0.00 0.64 0.00 -0.72 0.00 0.00 41.12 41.04 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 0.00 0.00 0.00 1.67 8.00 -1.26 -4.78 116.55 120.18 1wfs n ASP 85 Ca 0.00 -0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.16 1wfs n ASP 85 Cb 0.00 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 1wfs n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wfs n GLY 86 N 0.60 1.64 3.47 0.44 0.00 -1.26 -5.12 105.19 104.96 1wfs n GLY 86 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.07 3.12 -0.06 1.61 1.81 -1.26 -5.01 118.95 119.09 1wfs s ARG 87 Ca 0.00 -0.62 -0.03 0.00 -1.72 0.00 0.00 55.73 53.37 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 0.41 0.13 0.54 -0.68 0.00 0.00 175.30 175.70 1wfs s VAL 88 N -0.14 -0.13 0.24 3.52 0.11 -1.26 0.67 120.40 123.41 1wfs s VAL 88 Ca 0.00 0.27 0.11 0.00 -2.93 0.00 0.00 61.98 59.44 1wfs s VAL 88 Cb -0.13 -0.23 -0.05 0.00 -1.53 0.00 0.00 36.38 34.44 1wfs s VAL 88 CO 0.03 0.11 -0.20 -0.44 -3.33 0.00 0.00 175.10 171.27 1wfs s SER 89 N 1.66 3.39 -0.61 3.54 0.01 0.60 -4.95 113.70 117.34 1wfs s SER 89 Ca -0.03 -0.98 -0.10 0.00 1.31 0.00 0.00 55.95 56.15 1wfs s SER 89 Cb -0.12 -0.26 0.16 0.00 0.21 0.00 0.00 66.02 66.01 1wfs s SER 89 CO -0.05 0.03 0.50 -0.31 0.41 0.00 0.00 173.24 173.82 1wfs s TYR 90 N -2.31 3.50 -0.73 2.43 2.02 -1.26 0.15 117.35 121.15 1wfs s TYR 90 Ca 0.26 -2.06 -0.26 0.00 -0.37 0.00 0.00 57.07 54.64 1wfs s TYR 90 Cb -0.05 -3.54 -0.03 0.00 -0.40 0.00 0.00 41.96 37.93 1wfs s TYR 90 CO 0.12 -0.96 1.90 -1.25 -1.57 0.00 0.00 175.55 173.79 1wfs s PRO 91 N 0.71 2.59 0.05 -1.71 0.04 -1.05 -4.82 135.00 130.81 1wfs s PRO 91 Ca 0.11 0.24 -0.31 0.00 0.04 0.00 0.00 61.00 61.09 1wfs s PRO 91 Cb -0.21 -4.67 -0.06 0.00 0.04 0.00 0.00 34.50 29.60 1wfs s PRO 91 CO -0.03 -3.01 1.30 -0.51 0.04 0.00 0.00 177.00 174.79 1wfs s LEU 92 N 9.52 4.35 0.30 -3.56 1.02 -1.26 -3.80 118.68 125.25 1wfs s LEU 92 Ca 0.69 2.09 0.05 0.00 0.02 0.00 0.00 54.13 56.97 1wfs s LEU 92 Cb -0.10 -3.57 -0.06 0.00 0.02 0.00 0.00 46.19 42.47 1wfs s LEU 92 CO 0.12 -0.59 0.02 0.00 0.02 0.00 0.00 176.35 175.92 1wfs s PHE 94 N -3.23 3.41 -0.44 0.00 5.36 -1.09 -2.94 117.98 119.06 1wfs s PHE 94 Ca 0.34 -1.98 -0.20 0.00 -0.96 0.00 0.00 56.93 54.13 1wfs s PHE 94 Cb 0.07 -2.75 0.03 0.00 -0.34 0.00 0.00 43.02 40.02 1wfs s PHE 94 CO 0.14 -0.87 0.58 0.42 -1.46 0.00 0.00 175.22 174.02 1wfs s ILE 95 N 1.26 4.91 -0.42 3.12 1.01 0.18 -1.32 121.20 129.93 1wfs s ILE 95 Ca 0.02 -0.08 -0.19 0.00 0.00 0.00 0.00 60.65 60.41 1wfs s ILE 95 Cb -0.22 -4.16 0.02 0.00 0.01 0.00 0.00 42.46 38.11 1wfs s ILE 95 CO -0.01 -0.56 0.53 0.12 0.00 0.00 0.00 174.94 175.02 1wfs s PHE 96 N 2.59 3.13 -0.91 3.97 5.36 -0.99 -1.22 117.98 129.91 1wfs s PHE 96 Ca 0.19 -0.19 -0.25 0.00 -0.96 0.00 0.00 56.93 55.72 1wfs s PHE 96 Cb -0.15 -3.09 0.04 0.00 -0.34 0.00 0.00 43.02 39.48 1wfs s PHE 96 CO 0.17 -0.76 1.38 0.45 -1.46 0.00 0.00 175.22 175.00 1wfs s SER 97 N 1.89 6.37 -0.42 6.13 0.15 -0.63 -2.21 113.70 124.97 1wfs s SER 97 Ca 0.17 -1.06 0.03 0.00 0.70 0.00 0.00 55.95 55.79 1wfs s SER 97 Cb -0.16 -2.56 0.12 0.00 -1.71 0.00 0.00 66.02 61.71 1wfs s SER 97 CO 0.16 -1.64 0.17 -0.94 1.20 0.00 0.00 173.24 172.20 1wfs s SER 98 N 4.48 4.20 0.35 5.45 1.04 -1.04 -2.12 113.70 126.06 1wfs s SER 98 Ca 0.41 -2.47 0.00 0.00 0.48 0.00 0.00 55.95 54.37 1wfs s SER 98 Cb -0.03 -1.35 0.00 0.00 0.10 0.00 0.00 66.02 64.74 1wfs s SER 98 CO -0.00 -0.31 0.00 -0.81 0.98 0.00 0.00 173.24 173.10 1wfs n PRO 99 N 3.79 0.30 0.00 4.02 -0.04 -1.26 -4.11 135.00 137.70 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 0.37 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 1wfs n PRO 99 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1wfs n VAL 100 N -1.20 0.00 1.82 0.52 0.31 -1.26 -4.66 118.33 113.86 1wfs n VAL 100 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 1wfs n VAL 100 Cb 0.00 -0.85 0.06 0.00 -0.91 0.00 0.00 33.84 32.14 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 2.76 -0.91 3.20 2.92 0.00 -1.26 -4.83 105.19 107.07 1wfs n GLY 101 Ca 0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 1wfs n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wfs s LYS 103 N -5.13 3.21 0.27 0.00 1.02 -1.26 -5.00 119.74 112.84 1wfs s LYS 103 Ca 0.60 -0.48 0.24 0.00 0.02 0.00 0.00 55.97 56.35 1wfs s LYS 103 Cb -0.02 -2.93 1.00 0.00 -0.52 0.00 0.00 37.83 35.35 1wfs s LYS 103 CO 0.41 0.63 1.72 -0.35 -0.92 0.00 0.00 175.35 176.84 1wfs n PRO 104 N 0.76 0.20 0.02 -1.68 -0.04 -1.26 -1.97 135.00 131.02 1wfs n PRO 104 Ca -0.10 0.43 -0.15 0.00 -0.04 0.00 0.00 63.50 63.64 1wfs n PRO 104 Cb 0.52 -1.88 -0.05 0.00 -0.04 0.00 0.00 33.50 32.05 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 0.64 0.00 0.54 3.07 -2.01 -3.20 114.58 113.63 1wfs h GLU 105 Ca 0.00 -0.56 -0.02 0.00 -0.50 0.00 0.00 59.36 58.28 1wfs h GLU 105 Cb 0.36 0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1wfs h GLU 105 CO 0.00 1.18 -0.46 1.96 -1.40 0.00 0.00 179.01 180.29 1wfs h GLN 106 N 0.42 0.00 -0.85 2.33 1.08 -1.94 -3.34 115.11 112.80 1wfs h GLN 106 Ca -0.06 0.00 0.35 0.00 -1.45 0.00 0.00 58.65 57.49 1wfs h GLN 106 Cb 1.44 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 28.72 1wfs h GLN 106 CO 0.16 0.10 0.43 0.94 -0.95 0.00 0.00 178.83 179.51 1wfs n GLN 107 N -4.63 -0.05 -0.21 1.46 0.00 -0.83 0.23 117.38 113.35 1wfs n GLN 107 Ca -0.08 1.18 -0.07 0.00 -0.00 0.00 0.00 57.00 58.03 1wfs n GLN 107 Cb 0.25 -2.10 0.03 0.00 0.00 0.00 0.00 30.24 28.41 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 0.85 -0.76 3.69 2.86 -1.72 0.45 114.93 120.30 1wfs h MET 108 Ca 0.71 -0.14 0.17 0.00 -2.06 0.00 0.00 59.70 58.38 1wfs h MET 108 Cb 1.86 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 33.32 1wfs h MET 108 CO -0.66 0.71 0.52 0.52 1.06 0.00 0.00 176.91 179.05 1wfs h MET 109 N 0.79 0.31 0.03 1.72 2.86 0.28 0.33 114.93 121.26 1wfs h MET 109 Ca 0.20 -0.02 -0.33 0.00 -2.06 0.00 0.00 59.70 57.49 1wfs h MET 109 Cb 0.15 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.70 1wfs h MET 109 CO -0.02 0.20 -1.96 0.66 1.06 0.00 0.00 176.91 176.85 1wfs n TYR 110 N -4.45 0.83 0.24 -0.22 4.02 -0.90 -3.15 117.16 113.52 1wfs n TYR 110 Ca 0.15 0.25 0.11 0.00 -0.01 0.00 0.00 57.90 58.40 1wfs n TYR 110 Cb 0.61 -1.14 0.56 0.00 -0.02 0.00 0.00 39.34 39.35 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 0.66 1.12 0.00 -0.72 0.00 0.90 0.72 119.26 121.95 1wfs h ALA 111 Ca -0.39 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.28 1wfs h ALA 111 Cb 2.05 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 1wfs h ALA 111 CO 0.06 0.25 -1.58 0.41 0.00 0.00 0.00 179.25 178.38 1wfs n GLY 112 N -0.17 -1.20 0.01 0.00 0.00 0.10 -4.23 105.19 99.70 1wfs n GLY 112 Ca -0.01 -0.33 0.10 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.56 0.54 -0.32 1.61 7.64 -1.11 -4.55 113.62 114.87 1wfs n SER 113 Ca -0.06 -0.28 -0.08 0.00 1.01 0.00 0.00 58.87 59.46 1wfs n SER 113 Cb 0.66 1.66 -0.04 0.00 -1.01 0.00 0.00 64.21 65.48 1wfs n SER 113 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1wfs h LYS 114 N 0.00 -0.10 -0.93 1.43 3.64 0.29 0.57 116.57 121.47 1wfs h LYS 114 Ca 0.00 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 1wfs h LYS 114 Cb 0.79 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.57 1wfs h LYS 114 CO 0.00 -0.06 0.60 -0.91 -2.27 0.00 0.00 179.45 176.81 1wfs h ASN 115 N -0.10 0.94 0.66 4.20 2.35 -1.83 0.14 115.58 121.94 1wfs h ASN 115 Ca 0.21 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.94 1wfs h ASN 115 Cb 0.52 -0.19 0.01 0.00 0.05 0.00 0.00 38.32 38.71 1wfs h ASN 115 CO -0.85 0.60 -0.32 -0.09 -1.65 0.00 0.00 177.43 175.12 1wfs h ARG 116 N 1.06 -0.86 -0.28 0.81 9.65 -0.30 0.29 114.38 124.75 1wfs h ARG 116 Ca 0.40 0.06 0.01 0.00 -1.10 0.00 0.00 59.98 59.35 1wfs h ARG 116 Cb 0.20 0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 28.95 1wfs h ARG 116 CO -0.15 -0.54 0.15 1.25 2.80 0.00 0.00 179.97 183.48 1wfs h LEU 117 N -1.00 0.24 0.11 3.80 7.12 -0.32 -1.79 115.31 123.47 1wfs h LEU 117 Ca -0.09 0.01 -0.00 0.00 0.13 0.00 0.00 57.88 57.92 1wfs h LEU 117 Cb 0.71 -0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 40.80 1wfs h LEU 117 CO 0.15 0.18 -0.06 0.58 -0.13 0.00 0.00 178.44 179.16 1wfs h VAL 118 N 0.32 0.87 -0.97 1.05 2.07 -0.72 -2.45 116.25 116.41 1wfs h VAL 118 Ca 0.11 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.79 1wfs h VAL 118 Cb 0.01 0.87 -0.09 0.00 -1.52 0.00 0.00 31.29 30.56 1wfs h VAL 118 CO -0.06 0.00 0.61 1.56 0.02 0.00 0.00 177.57 179.70 1wfs h GLN 119 N -0.16 0.77 -0.57 1.57 1.08 -0.24 0.71 115.11 118.27 1wfs h GLN 119 Ca -0.01 -0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 1wfs h GLN 119 Cb 0.13 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.36 1wfs h GLN 119 CO 0.02 0.51 0.28 1.15 -0.95 0.00 0.00 178.83 179.83 1wfs h THR 120 N 0.80 1.20 0.00 -0.54 2.02 -0.89 -2.44 112.91 113.06 1wfs h THR 120 Ca 0.51 -0.57 -0.08 0.00 0.77 0.00 0.00 66.41 67.04 1wfs h THR 120 Cb 0.75 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1wfs h THR 120 CO -0.29 0.23 -0.38 0.00 0.37 0.00 0.00 175.52 175.45 1wfs h ALA 121 N 1.11 0.97 -2.43 6.16 0.00 -0.71 -3.46 119.26 120.91 1wfs h ALA 121 Ca 0.20 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1wfs h ALA 121 Cb 0.11 -0.06 0.04 0.00 0.00 0.00 0.00 17.79 17.88 1wfs h ALA 121 CO -0.03 0.48 -0.19 -1.91 0.00 0.00 0.00 179.25 177.61 1wfs n GLU 122 N -3.51 -2.07 -3.18 0.00 2.13 0.09 -4.75 120.64 109.36 1wfs n GLU 122 Ca -0.00 0.22 -0.46 0.00 0.66 0.00 0.00 57.16 57.59 1wfs n GLU 122 Cb 0.52 -3.40 -0.03 0.00 0.27 0.00 0.00 31.44 28.80 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 -2.78 5.97 0.20 4.31 1.43 -1.21 -4.92 118.68 121.69 1wfs s LEU 123 Ca 0.13 -2.15 -0.14 0.00 -1.03 0.00 0.00 54.13 50.94 1wfs s LEU 123 Cb -0.06 -2.28 0.21 0.00 0.03 0.00 0.00 46.19 44.10 1wfs s LEU 123 CO 0.20 -0.85 1.66 0.74 0.23 0.00 0.00 176.35 178.33 1wfs h THR 124 N 5.41 0.51 -3.06 5.49 2.02 -1.92 -3.39 112.91 117.98 1wfs h THR 124 Ca -0.02 -0.02 -0.56 0.00 0.77 0.00 0.00 66.41 66.59 1wfs h THR 124 Cb 1.05 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 1wfs h THR 124 CO 0.95 0.01 0.75 -0.54 0.37 0.00 0.00 175.52 177.06 1wfs s LYS 125 N -6.19 4.32 -0.09 6.66 1.02 -1.26 -5.02 119.74 119.18 1wfs s LYS 125 Ca -0.14 1.62 -0.01 0.00 0.02 0.00 0.00 55.97 57.46 1wfs s LYS 125 Cb 0.17 -3.62 0.03 0.00 -0.52 0.00 0.00 37.83 33.89 1wfs s LYS 125 CO 0.73 -0.52 -0.02 0.08 -0.92 0.00 0.00 175.35 174.70 1wfs s VAL 126 N 2.62 0.56 0.16 3.17 1.01 -1.26 -2.66 120.40 123.99 1wfs s VAL 126 Ca 0.54 -0.02 0.10 0.00 0.00 0.00 0.00 61.98 62.59 1wfs s VAL 126 Cb -0.22 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1wfs s VAL 126 CO 0.18 0.27 -0.17 -0.36 0.00 0.00 0.00 175.10 175.02 1wfs s PHE 127 N 1.89 2.50 -0.08 5.22 0.08 -0.44 -4.96 117.98 122.19 1wfs s PHE 127 Ca 0.05 -0.28 0.02 0.00 0.12 0.00 0.00 56.93 56.85 1wfs s PHE 127 Cb -0.13 -1.27 0.01 0.00 -0.57 0.00 0.00 43.02 41.06 1wfs s PHE 127 CO -0.06 0.45 -0.16 -2.00 -0.10 0.00 0.00 175.22 173.35 1wfs s GLU 128 N -2.49 2.14 -0.13 0.44 -6.30 -1.26 -2.35 118.70 108.74 1wfs s GLU 128 Ca 0.21 -0.55 -0.03 0.00 -2.50 0.00 0.00 54.97 52.09 1wfs s GLU 128 Cb -0.09 -1.73 -0.03 0.00 0.00 0.00 0.00 34.13 32.27 1wfs s GLU 128 CO 0.12 0.04 -0.02 0.96 0.02 0.00 0.00 175.26 176.38 1wfs s ILE 129 N 0.69 4.12 -2.26 -3.70 -4.36 -0.94 -4.96 121.20 109.78 1wfs s ILE 129 Ca -0.13 -0.29 0.27 0.00 -0.26 0.00 0.00 60.65 60.23 1wfs s ILE 129 Cb -0.16 -2.78 0.63 0.00 1.25 0.00 0.00 42.46 41.40 1wfs s ILE 129 CO 0.03 0.53 1.85 -1.14 0.24 0.00 0.00 174.94 176.45 1wfs n ARG 130 N 3.07 1.41 0.00 0.37 3.00 -1.26 -2.50 116.66 120.75 1wfs n ARG 130 Ca -0.18 -0.60 0.00 0.00 -0.00 0.00 0.00 57.85 57.08 1wfs n ARG 130 Cb 0.53 -1.45 0.00 0.00 0.00 0.00 0.00 32.46 31.54 1wfs n ARG 130 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1wfs n THR 131 N -0.25 0.00 -0.30 5.15 5.66 -1.26 -4.21 114.28 119.07 1wfs n THR 131 Ca 0.19 0.00 0.19 0.00 -3.05 0.00 0.00 64.05 61.39 1wfs n THR 131 Cb 0.25 0.00 0.47 0.00 -1.55 0.00 0.00 70.33 69.50 1wfs n THR 131 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 1wfs h THR 132 N 0.03 0.62 -0.91 1.09 1.35 -1.89 0.18 112.91 113.38 1wfs h THR 132 Ca 0.00 -0.16 0.19 0.00 -0.55 0.00 0.00 66.41 65.89 1wfs h THR 132 Cb 0.00 0.11 -0.07 0.00 -1.73 0.00 0.00 68.15 66.45 1wfs h THR 132 CO 0.00 0.09 0.60 0.44 -0.25 0.00 0.00 175.52 176.39 1wfs h ASP 133 N 0.48 0.48 -0.95 5.36 3.32 -1.95 0.55 116.42 123.71 1wfs h ASP 133 Ca 0.54 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.66 1wfs h ASP 133 Cb 1.25 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.71 1wfs h ASP 133 CO -0.26 0.20 0.62 -0.78 -1.72 0.00 0.00 179.24 177.30 1wfs h ASP 134 N 0.49 1.07 -0.16 6.45 3.58 -1.03 -3.36 116.42 123.45 1wfs h ASP 134 Ca 0.48 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.90 1wfs h ASP 134 Cb 1.08 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.87 1wfs h ASP 134 CO -0.21 0.76 0.03 -0.22 -2.88 0.00 0.00 179.24 176.72 1wfs s LEU 135 N -10.14 2.45 0.11 2.28 2.96 0.18 -4.58 118.68 111.94 1wfs s LEU 135 Ca -0.13 -0.72 0.08 0.00 -0.22 0.00 0.00 54.13 53.15 1wfs s LEU 135 Cb 0.18 -2.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.24 1wfs s LEU 135 CO 0.81 -4.62 -0.21 0.42 -1.32 0.00 0.00 176.35 171.43 1wfs s THR 136 N 16.72 1.76 0.33 3.68 -4.23 -1.26 -4.56 115.64 128.08 1wfs s THR 136 Ca 0.84 -1.59 0.11 0.00 -1.18 0.00 0.00 61.69 59.88 1wfs s THR 136 Cb -0.07 -1.61 0.34 0.00 1.34 0.00 0.00 72.50 72.50 1wfs s THR 136 CO 0.16 -0.07 1.63 -0.08 -0.54 0.00 0.00 174.62 175.72 1wfs h GLU 137 N 4.00 0.18 0.17 3.99 4.81 -1.89 0.23 114.58 126.07 1wfs h GLU 137 Ca -0.46 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 1wfs h GLU 137 Cb 1.18 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1wfs h GLU 137 CO 0.40 0.12 -0.08 1.15 -0.73 0.00 0.00 179.01 179.87 1wfs h THR 138 N 0.19 0.80 -0.16 0.32 2.02 -1.95 -1.01 112.91 113.11 1wfs h THR 138 Ca 0.70 -1.10 0.05 0.00 0.77 0.00 0.00 66.41 66.82 1wfs h THR 138 Cb 1.59 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 69.34 1wfs h THR 138 CO -0.69 0.21 0.37 -0.25 0.37 0.00 0.00 175.52 175.53 1wfs h TRP 139 N -0.87 0.00 0.00 3.16 7.01 -1.38 0.42 115.95 124.28 1wfs h TRP 139 Ca -0.02 0.00 -0.07 0.00 2.11 0.00 0.00 58.89 60.90 1wfs h TRP 139 Cb 0.52 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.56 1wfs h TRP 139 CO 0.08 0.00 -0.64 1.25 -2.79 0.00 0.00 178.44 176.34 1wfs h LEU 140 N 0.00 0.00 -2.28 0.65 7.12 -0.58 -3.32 115.31 116.90 1wfs h LEU 140 Ca 0.08 -0.25 -0.01 0.00 0.13 0.00 0.00 57.88 57.83 1wfs h LEU 140 Cb 0.81 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.94 1wfs h LEU 140 CO -0.00 0.98 -0.03 0.11 -0.13 0.00 0.00 178.44 179.37 1wfs h LYS 141 N -1.00 0.00 -0.40 1.25 1.57 -0.57 -2.14 116.57 115.27 1wfs h LYS 141 Ca -0.11 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 1wfs h LYS 141 Cb 0.74 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 1wfs h LYS 141 CO -0.07 0.03 0.07 0.93 -0.57 0.00 0.00 179.45 179.84 1wfs h GLU 142 N 0.00 0.67 -0.49 3.15 5.08 -0.35 0.90 114.58 123.55 1wfs h GLU 142 Ca -0.00 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.10 1wfs h GLU 142 Cb 0.07 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1wfs h GLU 142 CO 0.00 0.71 -0.02 0.87 -1.00 0.00 0.00 179.01 179.58 1wfs h LYS 143 N 0.52 0.83 -0.12 2.33 1.79 -1.49 -3.10 116.57 117.33 1wfs h LYS 143 Ca 0.12 -0.24 -0.08 0.00 -2.18 0.00 0.00 60.65 58.28 1wfs h LYS 143 Cb 0.37 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1wfs h LYS 143 CO 0.01 0.84 -0.23 -0.07 -1.08 0.00 0.00 179.45 178.92 1wfs h LEU 144 N 0.77 0.41 -9.26 2.94 3.38 -1.32 -3.46 115.31 108.76 1wfs h LEU 144 Ca 0.14 -0.56 -0.26 0.00 0.09 0.00 0.00 57.88 57.29 1wfs h LEU 144 Cb 0.49 -0.12 0.15 0.00 0.09 0.00 0.00 40.66 41.27 1wfs h LEU 144 CO 0.02 0.89 -0.27 0.00 0.09 0.00 0.00 178.44 179.17 1wfs n ALA 145 N -2.46 -1.77 -1.54 1.53 0.00 0.30 -4.87 120.51 111.69 1wfs n ALA 145 Ca -0.07 -1.23 -0.36 0.00 0.00 0.00 0.00 53.44 51.78 1wfs n ALA 145 Cb 0.43 -1.06 0.07 0.00 0.00 0.00 0.00 19.45 18.89 1wfs n ALA 145 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wfs n SER 146 N -2.28 7.60 -1.04 0.00 3.41 -1.26 -4.99 113.62 115.06 1wfs n SER 146 Ca 0.07 -3.81 0.02 0.00 -0.26 0.00 0.00 58.87 54.90 1wfs n SER 146 Cb 0.41 -1.00 -0.01 0.00 -0.26 0.00 0.00 64.21 63.35 1wfs n SER 146 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfs n GLY 147 N -0.79 -3.57 1.73 5.00 0.00 -1.26 -4.97 105.19 101.33 1wfs n GLY 147 Ca 0.60 -1.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.48 -2.08 -4.28 1.61 -0.04 -1.26 -5.07 135.00 121.40 1wfs n PRO 148 Ca -0.01 -0.86 -0.25 0.00 -0.04 0.00 0.00 63.50 62.33 1wfs n PRO 148 Cb 0.35 -0.81 -0.17 0.00 -0.04 0.00 0.00 33.50 32.83 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 -2.96 1.92 -0.21 3.54 0.15 -1.26 -5.12 113.70 109.77 1wfs s SER 149 Ca 0.35 -0.30 -0.24 0.00 0.70 0.00 0.00 55.95 56.47 1wfs s SER 149 Cb -0.03 -0.82 -0.01 0.00 -1.71 0.00 0.00 66.02 63.44 1wfs s SER 149 CO 0.27 -0.03 0.78 -0.55 1.20 0.00 0.00 173.24 174.90 1wfs s SER 150 N 1.12 6.84 0.00 5.45 0.15 -1.26 -5.33 113.70 120.66 1wfs s SER 150 Ca -0.06 1.03 0.00 0.00 0.70 0.00 0.00 55.95 57.62 1wfs s SER 150 Cb -0.14 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1wfs s SER 150 CO -0.02 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.62