#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 -3.15 -1.03 1.61 7.64 -1.26 -5.17 113.62 112.27 1wfs n SER 2 Ca 0.00 0.70 0.00 0.00 1.01 0.00 0.00 58.87 60.58 1wfs n SER 2 Cb 0.00 3.05 0.00 0.00 -1.01 0.00 0.00 64.21 66.25 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 -3.22 -5.90 0.00 6.43 2.88 -1.26 -5.03 113.62 107.52 1wfs n SER 3 Ca 0.00 0.81 0.00 0.00 -1.33 0.00 0.00 58.87 58.35 1wfs n SER 3 Cb 0.00 -2.75 0.00 0.00 -0.75 0.00 0.00 64.21 60.71 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 -0.95 0.21 3.46 0.46 0.00 -1.26 -5.03 105.19 102.10 1wfs n GLY 4 Ca 0.00 -1.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.04 1wfs n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wfs s SER 5 N -4.00 -0.74 0.34 1.61 1.04 -1.26 -5.17 113.70 105.51 1wfs s SER 5 Ca 0.00 1.22 0.10 0.00 0.48 0.00 0.00 55.95 57.75 1wfs s SER 5 Cb 0.00 1.10 -0.06 0.00 0.10 0.00 0.00 66.02 67.16 1wfs s SER 5 CO 0.00 -0.22 -0.10 -0.94 0.98 0.00 0.00 173.24 172.96 1wfs s SER 6 N 1.54 3.70 0.00 7.02 1.04 -1.26 -5.09 113.70 120.64 1wfs s SER 6 Ca -0.10 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.15 1wfs s SER 6 Cb -0.07 -0.34 0.00 0.00 0.10 0.00 0.00 66.02 65.71 1wfs s SER 6 CO -0.17 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.48 1wfs n GLY 7 N -0.78 2.95 3.20 7.32 0.00 -1.26 -5.06 105.19 111.57 1wfs n GLY 7 Ca -0.05 -1.41 -0.38 0.00 0.00 0.00 0.00 46.02 44.18 1wfs n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wfs n SER 8 N 0.00 -4.11 -2.41 1.61 2.88 -1.26 -4.85 113.62 105.48 1wfs n SER 8 Ca 0.00 0.53 -0.35 0.00 -1.33 0.00 0.00 58.87 57.72 1wfs n SER 8 Cb 0.00 -0.85 0.06 0.00 -0.75 0.00 0.00 64.21 62.67 1wfs n SER 8 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1wfs n ASP 9 N 2.58 7.32 -3.71 -3.46 2.03 -1.26 -4.89 116.55 115.16 1wfs n ASP 9 Ca 0.06 -3.79 -0.23 0.00 0.52 0.00 0.00 54.79 51.35 1wfs n ASP 9 Cb 0.50 -0.92 -0.18 0.00 -0.72 0.00 0.00 41.12 39.80 1wfs n ASP 9 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1wfs s SER 10 N -1.92 1.62 0.42 1.67 0.01 -1.26 -5.14 113.70 109.09 1wfs s SER 10 Ca 0.61 -0.15 0.04 0.00 1.31 0.00 0.00 55.95 57.75 1wfs s SER 10 Cb 0.48 -0.31 -0.01 0.00 0.21 0.00 0.00 66.02 66.39 1wfs s SER 10 CO -0.08 -0.25 0.13 0.18 0.41 0.00 0.00 173.24 173.63 1wfs n LEU 11 N 5.22 0.00 -2.15 2.44 4.77 -1.26 -5.04 117.00 120.97 1wfs n LEU 11 Ca -0.06 -3.10 -0.28 0.00 -0.03 0.00 0.00 56.01 52.55 1wfs n LEU 11 Cb 0.50 0.95 0.06 0.00 -2.33 0.00 0.00 43.42 42.60 1wfs n LEU 11 CO 0.09 -0.47 1.36 0.55 -1.33 0.00 0.00 177.39 177.58 1wfs n VAL 12 N -0.95 3.29 -1.19 4.08 3.14 -1.26 -5.00 118.33 120.44 1wfs n VAL 12 Ca -0.07 -2.41 -0.46 0.00 -2.96 0.00 0.00 64.34 58.43 1wfs n VAL 12 Cb 0.61 -1.23 -0.07 0.00 -1.06 0.00 0.00 33.84 32.09 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 -0.41 0.00 -3.00 1.55 0.31 -1.26 -4.84 118.33 110.68 1wfs n VAL 13 Ca 0.50 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.73 1wfs n VAL 13 Cb 0.63 -0.27 0.04 0.00 -0.91 0.00 0.00 33.84 33.32 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 -3.35 1.62 -0.75 0.00 -1.05 -1.22 -4.93 118.70 109.03 1wfs s GLU 15 Ca 0.31 -0.82 -0.26 0.00 -0.15 0.00 0.00 54.97 54.05 1wfs s GLU 15 Cb -0.02 -1.63 -0.04 0.00 -0.44 0.00 0.00 34.13 32.00 1wfs s GLU 15 CO 0.20 0.44 1.91 0.08 0.95 0.00 0.00 175.26 178.84 1wfs s VAL 16 N -0.60 3.39 0.13 1.83 1.01 -1.26 -1.72 120.40 123.19 1wfs s VAL 16 Ca 0.08 -0.07 -0.14 0.00 0.00 0.00 0.00 61.98 61.85 1wfs s VAL 16 Cb -0.08 -3.95 -0.09 0.00 0.00 0.00 0.00 36.38 32.26 1wfs s VAL 16 CO 0.00 -0.91 0.22 -0.67 0.00 0.00 0.00 175.10 173.75 1wfs n ASP 17 N 13.43 -0.89 0.15 3.32 -0.08 -0.95 -4.50 116.55 127.02 1wfs n ASP 17 Ca 0.30 0.57 -0.00 0.00 -1.51 0.00 0.00 54.79 54.15 1wfs n ASP 17 Cb 0.50 -0.50 0.25 0.00 2.34 0.00 0.00 41.12 43.71 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 0.45 0.06 0.00 -0.67 0.13 -1.91 0.18 132.00 130.24 1wfs h PRO 18 Ca -0.16 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 64.86 1wfs h PRO 18 Cb 0.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 1wfs h PRO 18 CO 0.29 0.53 -0.37 1.05 -0.23 0.00 0.00 178.00 179.27 1wfs h GLU 19 N 0.05 0.00 0.03 0.86 -0.00 -1.96 -3.32 114.58 110.24 1wfs h GLU 19 Ca -0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 59.36 59.08 1wfs h GLU 19 Cb 0.87 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.58 1wfs h GLU 19 CO 0.06 0.37 -1.51 -0.11 -0.00 0.00 0.00 179.01 177.82 1wfs n LEU 20 N -3.37 2.07 -0.26 3.06 0.00 -1.09 -4.21 117.00 113.21 1wfs n LEU 20 Ca 0.01 0.36 0.12 0.00 0.00 0.00 0.00 56.01 56.50 1wfs n LEU 20 Cb 0.57 -1.00 0.24 0.00 0.00 0.00 0.00 43.42 43.23 1wfs n LEU 20 CO 0.37 0.44 0.61 1.17 0.00 0.00 0.00 177.39 179.98 1wfs n LYS 21 N -4.18 -0.06 -0.19 1.96 4.81 0.03 0.23 118.16 120.76 1wfs n LYS 21 Ca -0.33 1.12 -0.07 0.00 -0.87 0.00 0.00 58.31 58.16 1wfs n LYS 21 Cb 0.79 -1.80 0.03 0.00 0.02 0.00 0.00 35.03 34.07 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 0.75 -0.77 1.64 5.08 -1.74 -2.46 114.58 117.07 1wfs h GLU 22 Ca 0.47 -0.07 0.17 0.00 -1.00 0.00 0.00 59.36 58.93 1wfs h GLU 22 Cb 0.99 -0.16 -0.11 0.00 0.50 0.00 0.00 28.75 29.97 1wfs h GLU 22 CO -0.70 0.54 0.23 1.15 -1.00 0.00 0.00 179.01 179.23 1wfs h THR 23 N 0.75 0.52 0.13 1.13 2.02 0.28 0.15 112.91 117.89 1wfs h THR 23 Ca 0.20 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 1wfs h THR 23 Cb -0.02 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 1wfs h THR 23 CO -0.04 0.06 -0.06 -0.07 0.37 0.00 0.00 175.52 175.78 1wfs h LEU 24 N 0.31 -0.15 -1.92 2.58 3.38 -1.20 0.23 115.31 118.54 1wfs h LEU 24 Ca 0.44 -0.24 0.13 0.00 0.09 0.00 0.00 57.88 58.30 1wfs h LEU 24 Cb 0.77 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1wfs h LEU 24 CO -0.51 0.17 0.35 -0.09 0.09 0.00 0.00 178.44 178.45 1wfs h ARG 25 N -0.48 0.08 0.21 1.13 2.43 -0.86 -1.48 114.38 115.41 1wfs h ARG 25 Ca -0.02 -0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.81 1wfs h ARG 25 Cb 0.38 -0.02 0.02 0.00 -0.42 0.00 0.00 29.97 29.94 1wfs h ARG 25 CO 0.03 0.05 -1.61 0.87 -1.51 0.00 0.00 179.97 177.81 1wfs h LYS 26 N 0.08 0.45 -0.77 0.20 1.79 -0.53 -3.33 116.57 114.47 1wfs h LYS 26 Ca 0.24 -0.76 0.14 0.00 -2.18 0.00 0.00 60.65 58.08 1wfs h LYS 26 Cb 0.83 0.28 -0.09 0.00 -1.58 0.00 0.00 32.23 31.67 1wfs h LYS 26 CO -0.02 1.37 0.34 0.35 -1.08 0.00 0.00 179.45 180.40 1wfs h PHE 27 N 0.09 0.58 -0.32 -1.35 3.57 0.50 1.41 116.94 121.42 1wfs h PHE 27 Ca -0.30 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.23 1wfs h PHE 27 Cb 2.10 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 40.68 1wfs h PHE 27 CO 0.12 0.11 0.17 0.00 -2.23 0.00 0.00 178.31 176.48 1wfs h ARG 28 N 0.50 0.43 -0.71 1.11 3.08 -1.56 -2.88 114.38 114.34 1wfs h ARG 28 Ca 0.42 -0.04 -0.48 0.00 0.07 0.00 0.00 59.98 59.95 1wfs h ARG 28 Cb 0.60 -0.09 -0.42 0.00 0.08 0.00 0.00 29.97 30.14 1wfs h ARG 28 CO -0.38 0.32 -0.89 1.19 -1.07 0.00 0.00 179.97 179.14 1wfs n PHE 29 N -4.45 2.42 -1.04 3.04 3.72 0.45 -5.08 117.46 116.51 1wfs n PHE 29 Ca 0.02 -2.25 -0.30 0.00 -0.05 0.00 0.00 57.45 54.87 1wfs n PHE 29 Cb 0.10 -0.30 0.24 0.00 -0.94 0.00 0.00 39.48 38.57 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 -1.16 -0.54 -1.08 1.70 0.46 -4.94 118.95 109.75 1wfs s ARG 30 Ca 0.45 0.01 0.01 0.00 -0.47 0.00 0.00 55.73 55.74 1wfs s ARG 30 Cb 0.39 -1.60 0.46 0.00 -0.57 0.00 0.00 34.95 33.64 1wfs s ARG 30 CO 0.01 -3.69 1.76 1.63 -1.08 0.00 0.00 175.30 173.94 1wfs n LYS 31 N -4.76 2.92 -4.65 3.89 4.76 -1.26 -4.98 118.16 114.07 1wfs n LYS 31 Ca 0.12 -3.54 -0.30 0.00 -2.87 0.00 0.00 58.31 51.72 1wfs n LYS 31 Cb 0.59 -2.27 -0.09 0.00 -1.84 0.00 0.00 35.03 31.43 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 -3.72 2.09 -0.07 1.97 2.02 -1.26 -5.07 118.70 114.66 1wfs s GLU 32 Ca 0.60 -2.24 0.17 0.00 0.02 0.00 0.00 54.97 53.52 1wfs s GLU 32 Cb 0.48 -1.61 0.31 0.00 0.10 0.00 0.00 34.13 33.40 1wfs s GLU 32 CO 0.01 -0.22 1.15 0.25 0.02 0.00 0.00 175.26 176.47 1wfs n THR 33 N -1.15 0.19 -4.20 3.63 -2.24 -1.26 -5.12 114.28 104.14 1wfs n THR 33 Ca -0.12 -0.99 -0.11 0.00 -2.27 0.00 0.00 64.05 60.56 1wfs n THR 33 Cb 0.67 0.90 -0.04 0.00 -2.10 0.00 0.00 70.33 69.76 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 -0.00 0.35 -4.63 3.42 6.94 -1.26 -5.07 115.26 115.01 1wfs n ASN 34 Ca -0.06 -2.11 -0.42 0.00 -0.02 0.00 0.00 54.58 51.98 1wfs n ASN 34 Cb 0.94 0.69 -0.05 0.00 -2.36 0.00 0.00 39.78 39.00 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 -2.22 6.73 0.13 0.53 0.01 -1.26 -4.86 114.94 114.00 1wfs s ASN 35 Ca 0.15 0.82 0.05 0.00 -0.71 0.00 0.00 52.86 53.18 1wfs s ASN 35 Cb 0.01 -2.41 -0.04 0.00 0.41 0.00 0.00 41.25 39.21 1wfs s ASN 35 CO 0.11 -0.56 -0.12 0.00 -1.51 0.00 0.00 177.10 175.03 1wfs s ALA 36 N 2.88 1.43 0.06 0.60 0.00 -1.18 -0.15 121.76 125.40 1wfs s ALA 36 Ca 0.33 -1.38 0.03 0.00 0.00 0.00 0.00 51.96 50.95 1wfs s ALA 36 Cb -0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 1wfs s ALA 36 CO 0.10 -0.01 -0.10 0.00 0.00 0.00 0.00 175.76 175.75 1wfs s ALA 37 N -2.74 0.84 -0.26 0.00 0.00 0.61 -0.55 121.76 119.67 1wfs s ALA 37 Ca 0.12 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 1wfs s ALA 37 Cb -0.01 -0.01 0.08 0.00 0.00 0.00 0.00 23.12 23.18 1wfs s ALA 37 CO 0.02 0.04 0.06 0.42 0.00 0.00 0.00 175.76 176.30 1wfs s ILE 38 N -1.48 0.77 -0.32 0.00 1.01 -1.03 -1.79 121.20 118.36 1wfs s ILE 38 Ca -0.05 -1.04 -0.21 0.00 0.00 0.00 0.00 60.65 59.35 1wfs s ILE 38 Cb -0.09 -1.41 -0.00 0.00 0.01 0.00 0.00 42.46 40.96 1wfs s ILE 38 CO 0.01 -0.45 0.66 -0.63 0.00 0.00 0.00 174.94 174.53 1wfs s ILE 39 N 1.71 4.90 -0.12 2.92 1.01 -0.87 -1.58 121.20 129.16 1wfs s ILE 39 Ca 0.04 0.85 -0.01 0.00 0.00 0.00 0.00 60.65 61.54 1wfs s ILE 39 Cb -0.17 -4.05 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 1wfs s ILE 39 CO -0.17 -0.20 -0.08 -0.04 0.00 0.00 0.00 174.94 174.44 1wfs s MET 40 N 2.70 3.31 0.54 2.79 -1.94 0.15 -0.06 119.30 126.80 1wfs s MET 40 Ca 0.26 -0.59 0.07 0.00 -1.71 0.00 0.00 55.69 53.72 1wfs s MET 40 Cb -0.15 -2.72 0.05 0.00 2.01 0.00 0.00 34.83 34.02 1wfs s MET 40 CO 0.13 0.35 0.53 -1.59 -0.01 0.00 0.00 175.02 174.42 1wfs s LYS 41 N 0.04 2.29 -0.19 2.03 -2.85 0.15 -1.79 119.74 119.42 1wfs s LYS 41 Ca -0.02 -1.86 -0.01 0.00 -1.00 0.00 0.00 55.97 53.08 1wfs s LYS 41 Cb -0.14 -2.30 0.05 0.00 -2.06 0.00 0.00 37.83 33.39 1wfs s LYS 41 CO 0.03 -0.66 -0.02 0.54 0.10 0.00 0.00 175.35 175.34 1wfs s VAL 42 N -2.72 0.98 -0.08 1.79 0.11 -1.26 0.18 120.40 119.41 1wfs s VAL 42 Ca 0.44 -0.75 -0.30 0.00 -2.93 0.00 0.00 61.98 58.44 1wfs s VAL 42 Cb -0.03 -1.31 -0.04 0.00 -1.53 0.00 0.00 36.38 33.46 1wfs s VAL 42 CO 0.27 -0.07 1.43 -1.81 -3.33 0.00 0.00 175.10 171.59 1wfs s ASP 43 N 1.66 6.83 0.45 3.54 1.11 -0.77 -4.84 116.67 124.66 1wfs s ASP 43 Ca -0.02 1.99 0.21 0.00 0.18 0.00 0.00 52.55 54.91 1wfs s ASP 43 Cb -0.17 -2.54 1.09 0.00 1.07 0.00 0.00 42.92 42.37 1wfs s ASP 43 CO -0.07 -0.80 1.94 0.50 1.18 0.00 0.00 175.17 177.93 1wfs h LYS 44 N 8.50 0.00 -0.15 8.23 3.64 -1.96 1.54 116.57 136.38 1wfs h LYS 44 Ca -0.34 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 58.95 1wfs h LYS 44 Cb 1.15 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1wfs h LYS 44 CO 0.94 0.23 -0.25 0.22 -2.27 0.00 0.00 179.45 178.32 1wfs h ASP 45 N 0.00 0.47 -0.26 4.20 3.58 -1.98 -3.23 116.42 119.20 1wfs h ASP 45 Ca -0.00 -0.54 0.00 0.00 0.42 0.00 0.00 57.03 56.91 1wfs h ASP 45 Cb 0.51 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.42 1wfs h ASP 45 CO 0.03 0.92 0.00 0.54 -2.88 0.00 0.00 179.24 177.85 1wfs n ARG 46 N -4.44 2.32 -4.03 0.28 1.74 -1.11 -4.97 116.66 106.45 1wfs n ARG 46 Ca -0.06 -2.09 -0.29 0.00 -0.77 0.00 0.00 57.85 54.63 1wfs n ARG 46 Cb 0.44 -1.47 -0.06 0.00 -1.02 0.00 0.00 32.46 30.35 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 1.35 -0.79 -3.81 5.56 1.13 0.52 -4.91 117.38 116.43 1wfs n GLN 47 Ca 0.17 0.04 -0.13 0.00 -1.94 0.00 0.00 57.00 55.14 1wfs n GLN 47 Cb 0.57 -2.71 -0.13 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 -6.78 0.17 -0.44 -1.09 0.23 -1.10 -3.41 119.30 106.87 1wfs s MET 48 Ca 0.11 0.24 -0.28 0.00 -1.03 0.00 0.00 55.69 54.73 1wfs s MET 48 Cb -0.06 0.04 0.00 0.00 -1.53 0.00 0.00 34.83 33.28 1wfs s MET 48 CO 0.83 -0.05 1.55 0.08 -2.03 0.00 0.00 175.02 175.41 1wfs s VAL 49 N 0.27 3.72 0.06 5.16 1.01 -0.70 -1.85 120.40 128.08 1wfs s VAL 49 Ca -0.02 0.69 0.07 0.00 0.00 0.00 0.00 61.98 62.73 1wfs s VAL 49 Cb -0.03 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1wfs s VAL 49 CO -0.01 -0.77 -0.17 0.68 0.00 0.00 0.00 175.10 174.83 1wfs s VAL 50 N 6.26 2.88 0.27 2.92 -7.23 0.47 -2.24 120.40 123.73 1wfs s VAL 50 Ca 0.65 -1.25 -0.29 0.00 -1.81 0.00 0.00 61.98 59.28 1wfs s VAL 50 Cb -0.15 -2.25 -0.14 0.00 0.56 0.00 0.00 36.38 34.40 1wfs s VAL 50 CO 0.30 0.27 1.12 -0.11 -0.31 0.00 0.00 175.10 176.37 1wfs n LEU 51 N 1.32 2.09 -0.07 1.32 7.94 -1.26 0.30 117.00 128.64 1wfs n LEU 51 Ca -0.16 1.17 -0.11 0.00 -1.11 0.00 0.00 56.01 55.80 1wfs n LEU 51 Cb 0.52 -1.31 -0.06 0.00 0.53 0.00 0.00 43.42 43.10 1wfs n LEU 51 CO 0.28 -1.17 -0.95 1.21 -1.11 0.00 0.00 177.39 175.64 1wfs n GLU 52 N 1.05 0.32 -3.86 1.96 4.07 0.91 -4.60 120.64 120.49 1wfs n GLU 52 Ca 0.10 0.10 -0.07 0.00 -0.06 0.00 0.00 57.16 57.23 1wfs n GLU 52 Cb 0.31 -1.17 -0.02 0.00 -0.06 0.00 0.00 31.44 30.50 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 -5.63 -0.23 -0.25 4.31 1.01 -0.19 -5.01 116.67 110.67 1wfs s ASP 53 Ca -0.18 -0.67 -0.02 0.00 0.71 0.00 0.00 52.55 52.39 1wfs s ASP 53 Cb 0.06 0.74 0.14 0.00 1.01 0.00 0.00 42.92 44.87 1wfs s ASP 53 CO 0.28 -1.38 0.40 -1.61 0.21 0.00 0.00 175.17 173.08 1wfs s GLU 54 N -3.77 0.38 -0.17 8.23 2.02 -1.26 -2.06 118.70 122.06 1wfs s GLU 54 Ca 0.12 0.53 -0.05 0.00 0.02 0.00 0.00 54.97 55.59 1wfs s GLU 54 Cb -0.06 -0.36 -0.03 0.00 0.10 0.00 0.00 34.13 33.79 1wfs s GLU 54 CO 0.07 -0.69 -0.01 -0.51 0.02 0.00 0.00 175.26 174.14 1wfs s LEU 55 N 2.58 3.34 0.29 1.80 1.43 -0.74 -5.00 118.68 122.37 1wfs s LEU 55 Ca 0.13 -0.12 0.08 0.00 -1.03 0.00 0.00 54.13 53.19 1wfs s LEU 55 Cb -0.15 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1wfs s LEU 55 CO -0.18 0.14 0.18 -1.10 0.23 0.00 0.00 176.35 175.62 1wfs s GLN 56 N 0.54 2.68 -1.38 1.70 1.11 -1.26 -0.28 119.66 122.77 1wfs s GLN 56 Ca -0.02 -1.25 -0.09 0.00 0.01 0.00 0.00 55.36 54.02 1wfs s GLN 56 Cb -0.14 -2.42 0.01 0.00 -1.01 0.00 0.00 33.01 29.45 1wfs s GLN 56 CO 0.02 0.27 0.40 0.27 0.01 0.00 0.00 175.29 176.27 1wfs n ASN 57 N -1.18 -1.28 -4.23 5.90 0.23 -0.09 -4.92 115.26 109.68 1wfs n ASN 57 Ca -0.05 -1.13 -0.28 0.00 -0.53 0.00 0.00 54.58 52.59 1wfs n ASN 57 Cb 0.59 -2.49 -0.16 0.00 -2.08 0.00 0.00 39.78 35.64 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 -3.94 1.70 0.75 1.53 -1.16 0.79 -4.95 121.20 115.91 1wfs s ILE 58 Ca 0.15 -0.92 -0.10 0.00 -0.51 0.00 0.00 60.65 59.27 1wfs s ILE 58 Cb -0.07 -1.41 0.06 0.00 0.61 0.00 0.00 42.46 41.65 1wfs s ILE 58 CO 0.93 0.48 1.10 -0.94 -2.81 0.00 0.00 174.94 173.70 1wfs s SER 59 N -0.50 4.83 0.00 4.50 1.04 -1.26 -4.48 113.70 117.83 1wfs s SER 59 Ca 0.08 0.76 0.13 0.00 0.48 0.00 0.00 55.95 57.40 1wfs s SER 59 Cb -0.08 -1.38 0.75 0.00 0.10 0.00 0.00 66.02 65.41 1wfs s SER 59 CO -0.01 -1.67 1.18 -0.81 0.98 0.00 0.00 173.24 172.91 1wfs n PRO 60 N -3.11 0.49 -0.07 4.02 -0.04 -1.26 -2.25 135.00 132.77 1wfs n PRO 60 Ca 0.08 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.48 1wfs n PRO 60 Cb 0.60 -1.41 -0.14 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.91 1.06 0.03 0.54 1.02 -1.26 -4.18 120.64 116.95 1wfs n GLU 61 Ca 0.09 -0.03 -0.19 0.00 -0.02 0.00 0.00 57.16 57.01 1wfs n GLU 61 Cb 0.04 -1.45 -0.13 0.00 -0.02 0.00 0.00 31.44 29.88 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 0.35 -0.43 3.49 4.39 -1.82 -3.27 114.58 117.28 1wfs h GLU 62 Ca -0.40 -0.49 0.09 0.00 0.34 0.00 0.00 59.36 58.90 1wfs h GLU 62 Cb 1.89 0.16 -0.09 0.00 -0.10 0.00 0.00 28.75 30.61 1wfs h GLU 62 CO 0.02 1.19 -0.18 1.25 -1.16 0.00 0.00 179.01 180.13 1wfs h LEU 63 N -0.26 -0.63 -1.30 1.33 6.46 -1.77 0.11 115.31 119.25 1wfs h LEU 63 Ca -0.12 0.16 0.14 0.00 -0.12 0.00 0.00 57.88 57.94 1wfs h LEU 63 Cb 1.51 0.36 -0.07 0.00 -0.73 0.00 0.00 40.66 41.73 1wfs h LEU 63 CO 0.14 -0.22 0.57 0.50 -0.62 0.00 0.00 178.44 178.81 1wfs h LYS 64 N -0.09 0.67 -0.37 1.25 3.64 -1.76 0.06 116.57 119.97 1wfs h LYS 64 Ca 0.21 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.43 1wfs h LYS 64 Cb 0.42 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1wfs h LYS 64 CO -0.50 0.44 -0.27 -0.07 -2.27 0.00 0.00 179.45 176.79 1wfs h LEU 65 N 0.69 0.79 -0.92 5.20 4.07 -0.89 -2.93 115.31 121.32 1wfs h LEU 65 Ca 0.44 -0.30 -0.11 0.00 0.08 0.00 0.00 57.88 57.98 1wfs h LEU 65 Cb 0.69 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.20 1wfs h LEU 65 CO -0.20 1.02 -0.44 -0.33 -1.08 0.00 0.00 178.44 177.41 1wfs h GLU 66 N 0.66 0.22 -7.11 1.13 4.39 0.31 -3.44 114.58 110.74 1wfs h GLU 66 Ca 0.08 -0.11 -0.52 0.00 0.34 0.00 0.00 59.36 59.15 1wfs h GLU 66 Cb 0.79 0.00 0.11 0.00 -0.10 0.00 0.00 28.75 29.55 1wfs h GLU 66 CO 0.07 0.62 0.45 -0.51 -1.16 0.00 0.00 179.01 178.48 1wfs s LEU 67 N -8.19 3.65 0.00 1.33 1.43 -0.40 -5.03 118.68 111.46 1wfs s LEU 67 Ca -0.04 2.32 -0.18 0.00 -1.03 0.00 0.00 54.13 55.20 1wfs s LEU 67 Cb 0.13 -4.59 0.26 0.00 0.03 0.00 0.00 46.19 42.03 1wfs s LEU 67 CO 0.77 -1.55 0.94 -0.81 0.23 0.00 0.00 176.35 175.93 1wfs n PRO 68 N -1.64 -2.86 -0.04 1.29 -0.04 -1.26 -4.98 135.00 125.46 1wfs n PRO 68 Ca 0.13 -1.51 0.00 0.00 -0.04 0.00 0.00 63.50 62.08 1wfs n PRO 68 Cb 0.50 -1.42 -0.11 0.00 -0.04 0.00 0.00 33.50 32.43 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 -4.39 1.12 -2.74 0.54 0.00 -1.26 -4.73 120.64 109.18 1wfs n GLU 69 Ca 0.13 -0.07 -0.09 0.00 0.00 0.00 0.00 57.16 57.13 1wfs n GLU 69 Cb 0.51 -1.35 0.05 0.00 0.00 0.00 0.00 31.44 30.65 1wfs n GLU 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1wfs n ARG 70 N -2.28 1.13 -3.43 3.44 5.12 -1.26 -4.79 116.66 114.61 1wfs n ARG 70 Ca -0.13 -2.74 -0.15 0.00 -1.93 0.00 0.00 57.85 52.90 1wfs n ARG 70 Cb 0.68 -0.92 -0.11 0.00 -1.16 0.00 0.00 32.46 30.96 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 -1.81 0.27 0.10 5.56 -0.21 -1.26 -4.61 119.66 117.71 1wfs s GLN 71 Ca 0.27 0.24 -0.31 0.00 0.02 0.00 0.00 55.36 55.57 1wfs s GLN 71 Cb 0.42 -0.85 -0.08 0.00 1.00 0.00 0.00 33.01 33.50 1wfs s GLN 71 CO -0.02 -0.73 1.37 -1.25 -2.12 0.00 0.00 175.29 172.53 1wfs s PRO 72 N 2.41 4.33 0.37 2.91 0.04 -1.26 -4.69 135.00 139.11 1wfs s PRO 72 Ca 0.09 2.04 -0.06 0.00 0.04 0.00 0.00 61.00 63.11 1wfs s PRO 72 Cb -0.15 -3.27 0.02 0.00 0.04 0.00 0.00 34.50 31.14 1wfs s PRO 72 CO -0.18 -0.42 0.59 -0.98 0.04 0.00 0.00 177.00 176.05 1wfs s ARG 73 N 1.15 2.08 -0.01 4.56 1.70 -0.83 -4.94 118.95 122.66 1wfs s ARG 73 Ca 0.64 -1.70 0.03 0.00 -0.47 0.00 0.00 55.73 54.23 1wfs s ARG 73 Cb -0.36 0.51 -0.03 0.00 -0.57 0.00 0.00 34.95 34.50 1wfs s ARG 73 CO 0.30 -0.91 -0.08 -0.06 -1.08 0.00 0.00 175.30 173.48 1wfs s PHE 74 N -2.66 2.87 -0.13 5.89 0.08 -0.74 -2.76 117.98 120.52 1wfs s PHE 74 Ca 0.26 -0.05 -0.12 0.00 0.12 0.00 0.00 56.93 57.14 1wfs s PHE 74 Cb -0.02 -1.62 0.04 0.00 -0.57 0.00 0.00 43.02 40.85 1wfs s PHE 74 CO 0.18 0.35 0.36 0.08 -0.10 0.00 0.00 175.22 176.09 1wfs s VAL 75 N -0.95 -0.00 -0.40 -0.44 1.01 -0.77 0.33 120.40 119.18 1wfs s VAL 75 Ca 0.16 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.18 1wfs s VAL 75 Cb -0.11 -0.50 0.11 0.00 0.00 0.00 0.00 36.38 35.88 1wfs s VAL 75 CO 0.06 0.00 0.12 -0.69 0.00 0.00 0.00 175.10 174.60 1wfs s VAL 76 N 0.25 2.43 -0.06 2.92 1.01 -0.61 0.01 120.40 126.34 1wfs s VAL 76 Ca -0.00 -2.64 -0.23 0.00 0.00 0.00 0.00 61.98 59.11 1wfs s VAL 76 Cb -0.03 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1wfs s VAL 76 CO -0.00 -0.67 0.68 -0.47 0.00 0.00 0.00 175.10 174.64 1wfs s TYR 77 N 0.54 3.58 -0.49 5.22 5.04 -1.08 -2.46 117.35 127.71 1wfs s TYR 77 Ca 0.13 1.22 -0.03 0.00 -2.44 0.00 0.00 57.07 55.95 1wfs s TYR 77 Cb -0.21 -2.77 0.13 0.00 0.35 0.00 0.00 41.96 39.45 1wfs s TYR 77 CO -0.05 0.12 0.30 0.45 -1.34 0.00 0.00 175.55 175.02 1wfs s SER 78 N 0.70 5.30 0.70 4.32 0.15 0.29 -2.29 113.70 122.87 1wfs s SER 78 Ca 0.36 -2.30 -0.09 0.00 0.70 0.00 0.00 55.95 54.61 1wfs s SER 78 Cb -0.18 -1.86 0.04 0.00 -1.71 0.00 0.00 66.02 62.31 1wfs s SER 78 CO 0.18 -0.50 1.06 -0.47 1.20 0.00 0.00 173.24 174.71 1wfs s TYR 79 N 0.75 3.15 -0.32 3.44 5.04 -1.25 -3.13 117.35 125.03 1wfs s TYR 79 Ca 0.11 0.78 0.03 0.00 -2.44 0.00 0.00 57.07 55.55 1wfs s TYR 79 Cb -0.22 -3.12 0.09 0.00 0.35 0.00 0.00 41.96 39.06 1wfs s TYR 79 CO -0.04 -1.29 0.02 0.21 -1.34 0.00 0.00 175.55 173.12 1wfs s LYS 80 N -5.31 1.54 -0.08 4.97 2.20 -1.26 -2.58 119.74 119.22 1wfs s LYS 80 Ca 0.58 -1.67 -0.12 0.00 -0.36 0.00 0.00 55.97 54.40 1wfs s LYS 80 Cb -0.11 -3.01 -0.05 0.00 -1.51 0.00 0.00 37.83 33.15 1wfs s LYS 80 CO 0.48 -0.87 0.28 -0.47 -0.36 0.00 0.00 175.35 174.42 1wfs s TYR 81 N 1.02 3.61 0.23 4.03 6.14 0.20 -4.94 117.35 127.64 1wfs s TYR 81 Ca 0.07 0.73 0.06 0.00 0.64 0.00 0.00 57.07 58.57 1wfs s TYR 81 Cb -0.19 -2.18 -0.04 0.00 0.42 0.00 0.00 41.96 39.97 1wfs s TYR 81 CO -0.09 0.57 0.19 0.08 0.64 0.00 0.00 175.55 176.94 1wfs s VAL 82 N -0.66 4.51 0.00 3.14 1.01 -1.26 0.26 120.40 127.39 1wfs s VAL 82 Ca 0.19 -1.29 0.00 0.00 0.00 0.00 0.00 61.98 60.87 1wfs s VAL 82 Cb -0.14 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1wfs s VAL 82 CO 0.08 -0.29 0.00 1.41 0.00 0.00 0.00 175.10 176.30 1wfs n HIS 83 N -0.97 0.00 0.00 5.22 8.25 0.22 -4.93 115.22 123.00 1wfs n HIS 83 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1wfs n HIS 83 Cb 0.57 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.68 1wfs n HIS 83 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1wfs n ASP 84 N 0.00 0.00 0.00 0.41 8.00 -1.26 -4.94 116.55 118.76 1wfs n ASP 84 Ca 0.00 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.59 1wfs n ASP 84 Cb 0.00 0.00 0.42 0.00 -0.02 0.00 0.00 41.12 41.52 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 0.00 0.00 -2.24 -0.08 -1.26 -4.77 116.55 108.20 1wfs n ASP 85 Ca 0.00 0.27 0.00 0.00 -1.51 0.00 0.00 54.79 53.55 1wfs n ASP 85 Cb 0.00 -0.39 0.00 0.00 2.34 0.00 0.00 41.12 43.07 1wfs n ASP 85 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1wfs n GLY 86 N 0.29 1.72 3.49 0.27 0.00 -1.26 -5.13 105.19 104.58 1wfs n GLY 86 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.01 2.74 -0.02 1.61 1.81 -1.26 -5.01 118.95 118.81 1wfs s ARG 87 Ca 0.00 -0.65 0.00 0.00 -1.72 0.00 0.00 55.73 53.36 1wfs s ARG 87 Cb 0.00 -2.49 0.02 0.00 -0.45 0.00 0.00 34.95 32.03 1wfs s ARG 87 CO 0.00 0.56 0.02 0.54 -0.68 0.00 0.00 175.30 175.73 1wfs s VAL 88 N -0.54 0.01 0.18 3.52 0.11 -1.26 0.69 120.40 123.10 1wfs s VAL 88 Ca 0.08 0.15 0.09 0.00 -2.93 0.00 0.00 61.98 59.37 1wfs s VAL 88 Cb -0.12 -0.11 -0.04 0.00 -1.53 0.00 0.00 36.38 34.58 1wfs s VAL 88 CO 0.02 0.09 -0.20 -0.44 -3.33 0.00 0.00 175.10 171.24 1wfs s SER 89 N 0.87 2.92 -0.63 3.54 0.01 0.14 -4.96 113.70 115.59 1wfs s SER 89 Ca -0.08 -0.87 -0.11 0.00 1.31 0.00 0.00 55.95 56.20 1wfs s SER 89 Cb -0.11 -0.19 0.16 0.00 0.21 0.00 0.00 66.02 66.09 1wfs s SER 89 CO -0.02 0.01 0.53 -0.31 0.41 0.00 0.00 173.24 173.85 1wfs s TYR 90 N -1.99 3.50 -0.72 2.43 2.02 -1.26 0.58 117.35 121.92 1wfs s TYR 90 Ca 0.18 -1.97 -0.26 0.00 -0.37 0.00 0.00 57.07 54.65 1wfs s TYR 90 Cb -0.06 -3.60 -0.03 0.00 -0.40 0.00 0.00 41.96 37.87 1wfs s TYR 90 CO 0.08 -0.97 1.90 -1.25 -1.57 0.00 0.00 175.55 173.74 1wfs s PRO 91 N 0.74 2.59 0.26 -1.71 0.04 -1.06 -4.80 135.00 131.06 1wfs s PRO 91 Ca 0.11 0.28 -0.29 0.00 0.04 0.00 0.00 61.00 61.14 1wfs s PRO 91 Cb -0.20 -4.64 -0.09 0.00 0.04 0.00 0.00 34.50 29.60 1wfs s PRO 91 CO -0.03 -2.98 1.18 -0.51 0.04 0.00 0.00 177.00 174.70 1wfs s LEU 92 N 9.48 4.49 0.05 -3.56 1.02 -1.26 -3.77 118.68 125.13 1wfs s LEU 92 Ca 0.68 2.35 -0.01 0.00 0.02 0.00 0.00 54.13 57.18 1wfs s LEU 92 Cb -0.10 -3.63 -0.04 0.00 0.02 0.00 0.00 46.19 42.44 1wfs s LEU 92 CO 0.13 -0.31 -0.03 0.00 0.02 0.00 0.00 176.35 176.16 1wfs s PHE 94 N -3.41 3.26 -0.36 0.00 5.36 0.53 -2.63 117.98 120.73 1wfs s PHE 94 Ca 0.03 -0.99 -0.19 0.00 -0.96 0.00 0.00 56.93 54.82 1wfs s PHE 94 Cb 0.04 -3.02 0.00 0.00 -0.34 0.00 0.00 43.02 39.70 1wfs s PHE 94 CO -0.08 -0.77 0.53 0.42 -1.46 0.00 0.00 175.22 173.86 1wfs s ILE 95 N 1.60 4.99 -0.54 3.12 1.01 0.10 -1.45 121.20 130.04 1wfs s ILE 95 Ca 0.04 0.32 -0.18 0.00 0.00 0.00 0.00 60.65 60.82 1wfs s ILE 95 Cb -0.23 -4.00 0.09 0.00 0.01 0.00 0.00 42.46 38.32 1wfs s ILE 95 CO 0.06 -0.27 0.61 0.12 0.00 0.00 0.00 174.94 175.46 1wfs s PHE 96 N 2.45 3.08 -0.99 3.97 5.36 -0.91 -1.85 117.98 129.10 1wfs s PHE 96 Ca 0.19 -0.86 -0.23 0.00 -0.96 0.00 0.00 56.93 55.07 1wfs s PHE 96 Cb -0.15 -3.71 0.04 0.00 -0.34 0.00 0.00 43.02 38.85 1wfs s PHE 96 CO 0.14 -1.11 1.51 0.45 -1.46 0.00 0.00 175.22 174.75 1wfs s SER 97 N 3.17 6.30 -0.30 6.13 0.15 -1.11 -3.01 113.70 125.04 1wfs s SER 97 Ca 0.11 -1.29 0.00 0.00 0.70 0.00 0.00 55.95 55.47 1wfs s SER 97 Cb -0.23 -2.57 0.09 0.00 -1.71 0.00 0.00 66.02 61.60 1wfs s SER 97 CO 0.08 -1.69 0.07 -0.55 1.20 0.00 0.00 173.24 172.34 1wfs s SER 98 N 5.32 4.11 0.90 5.45 0.15 -1.24 -1.96 113.70 126.43 1wfs s SER 98 Ca 0.49 -1.65 0.00 0.00 0.70 0.00 0.00 55.95 55.49 1wfs s SER 98 Cb -0.01 -1.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.24 1wfs s SER 98 CO -0.07 -0.38 0.00 -0.81 1.20 0.00 0.00 173.24 173.18 1wfs n PRO 99 N 4.71 -0.82 -0.05 5.44 -0.04 -1.26 -4.37 135.00 138.61 1wfs n PRO 99 Ca -0.02 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.42 1wfs n PRO 99 Cb 0.43 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.78 1wfs n PRO 99 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1wfs n VAL 100 N -2.31 0.60 1.22 0.52 3.14 -1.26 -4.42 118.33 115.81 1wfs n VAL 100 Ca 0.00 -0.48 0.14 0.00 -2.96 0.00 0.00 64.34 61.04 1wfs n VAL 100 Cb 0.00 -0.36 0.61 0.00 -1.06 0.00 0.00 33.84 33.03 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 2.01 -1.28 3.38 7.55 0.00 -1.26 -4.90 105.19 110.69 1wfs n GLY 101 Ca -0.15 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.91 3.62 0.53 0.00 1.02 -1.26 -4.99 119.74 114.75 1wfs s LYS 103 Ca 0.62 -0.09 0.32 0.00 0.02 0.00 0.00 55.97 56.84 1wfs s LYS 103 Cb -0.19 -2.82 1.33 0.00 -0.52 0.00 0.00 37.83 35.63 1wfs s LYS 103 CO 0.66 0.44 1.97 -1.00 -0.92 0.00 0.00 175.35 176.50 1wfs h PRO 104 N 2.66 0.00 -0.02 -1.68 0.13 -1.98 -1.11 132.00 130.00 1wfs h PRO 104 Ca -0.46 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.53 1wfs h PRO 104 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1wfs h PRO 104 CO 0.72 0.05 -0.64 0.93 -0.23 0.00 0.00 178.00 178.83 1wfs h GLU 105 N 0.00 0.07 0.00 0.86 5.08 -2.00 -3.11 114.58 115.48 1wfs h GLU 105 Ca -0.00 -0.05 -0.22 0.00 -1.00 0.00 0.00 59.36 58.09 1wfs h GLU 105 Cb 0.53 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1wfs h GLU 105 CO 0.01 0.68 -1.40 1.04 -1.00 0.00 0.00 179.01 178.34 1wfs n GLN 106 N -3.80 0.55 -0.49 2.33 1.13 -1.07 -3.99 117.38 112.03 1wfs n GLN 106 Ca -0.02 0.46 0.43 0.00 -1.94 0.00 0.00 57.00 55.93 1wfs n GLN 106 Cb 0.63 -1.65 0.77 0.00 0.11 0.00 0.00 30.24 30.11 1wfs n GLN 106 CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 1wfs h GLN 107 N -1.00 0.01 -0.04 -1.09 -0.00 -1.34 1.36 115.11 113.01 1wfs h GLN 107 Ca -0.34 -0.00 -0.20 0.00 -0.00 0.00 0.00 58.65 58.12 1wfs h GLN 107 Cb 1.20 -0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.67 1wfs h GLN 107 CO -0.20 0.01 -0.81 0.52 0.00 0.00 0.00 178.83 178.35 1wfs h MET 108 N 0.01 0.36 -0.72 1.69 2.86 -1.71 0.47 114.93 117.89 1wfs h MET 108 Ca 0.73 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 58.03 1wfs h MET 108 Cb 2.89 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 34.59 1wfs h MET 108 CO -0.04 0.99 0.41 0.52 1.06 0.00 0.00 176.91 179.85 1wfs h MET 109 N 0.23 0.99 0.07 1.72 2.86 0.17 0.36 114.93 121.33 1wfs h MET 109 Ca -0.04 -0.10 -0.35 0.00 -2.06 0.00 0.00 59.70 57.14 1wfs h MET 109 Cb 1.40 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 32.83 1wfs h MET 109 CO 0.14 0.72 -2.00 0.66 1.06 0.00 0.00 176.91 177.48 1wfs n TYR 110 N -4.37 0.88 0.29 -0.22 4.02 -1.06 -3.07 117.16 113.63 1wfs n TYR 110 Ca 0.07 0.23 0.13 0.00 -0.01 0.00 0.00 57.90 58.32 1wfs n TYR 110 Cb 0.09 -1.11 0.84 0.00 -0.02 0.00 0.00 39.34 39.15 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 -0.13 1.58 0.00 -0.72 0.00 -0.05 1.90 119.26 121.84 1wfs h ALA 111 Ca -0.46 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.33 1wfs h ALA 111 Cb 1.85 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 1wfs h ALA 111 CO -0.04 0.02 -1.60 0.41 0.00 0.00 0.00 179.25 178.04 1wfs n GLY 112 N -1.28 -1.19 0.52 0.00 0.00 0.11 -4.19 105.19 99.18 1wfs n GLY 112 Ca -0.03 -0.30 0.05 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.62 2.53 0.10 1.61 7.64 -0.73 -4.54 113.62 117.61 1wfs n SER 113 Ca -0.08 -1.82 -0.04 0.00 1.01 0.00 0.00 58.87 57.94 1wfs n SER 113 Cb 0.72 -0.15 -0.02 0.00 -1.01 0.00 0.00 64.21 63.75 1wfs n SER 113 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1wfs h LYS 114 N 1.88 -0.25 -0.90 1.43 3.64 0.28 -0.55 116.57 122.10 1wfs h LYS 114 Ca 0.00 0.02 0.20 0.00 -1.27 0.00 0.00 60.65 59.60 1wfs h LYS 114 Cb 0.62 0.06 -0.12 0.00 -0.41 0.00 0.00 32.23 32.38 1wfs h LYS 114 CO 0.00 -0.17 0.43 -2.95 -2.27 0.00 0.00 179.45 174.50 1wfs h ASN 115 N -0.28 0.44 0.03 4.20 7.08 -1.84 0.29 115.58 125.49 1wfs h ASN 115 Ca -0.03 0.13 0.01 0.00 -3.08 0.00 0.00 56.30 53.34 1wfs h ASN 115 Cb 0.20 0.08 -0.01 0.00 -2.08 0.00 0.00 38.32 36.51 1wfs h ASN 115 CO 0.04 0.08 -0.07 -0.09 -2.08 0.00 0.00 177.43 175.31 1wfs h ARG 116 N 0.49 -0.14 0.38 4.14 9.65 -1.83 -0.23 114.38 126.85 1wfs h ARG 116 Ca 0.54 0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 59.41 1wfs h ARG 116 Cb 0.96 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.57 1wfs h ARG 116 CO -0.47 -0.09 -0.18 1.25 2.80 0.00 0.00 179.97 183.27 1wfs h LEU 117 N -0.14 -0.44 -0.44 3.80 7.12 0.40 -3.04 115.31 122.58 1wfs h LEU 117 Ca 0.02 -0.12 0.08 0.00 0.13 0.00 0.00 57.88 57.99 1wfs h LEU 117 Cb 0.16 0.11 -0.09 0.00 -0.53 0.00 0.00 40.66 40.31 1wfs h LEU 117 CO -0.06 -0.10 -0.38 0.58 -0.13 0.00 0.00 178.44 178.35 1wfs h VAL 118 N -0.81 0.16 -0.80 1.05 2.07 -0.48 -0.29 116.25 117.15 1wfs h VAL 118 Ca -0.05 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.66 1wfs h VAL 118 Cb 0.53 0.16 -0.14 0.00 -1.52 0.00 0.00 31.29 30.32 1wfs h VAL 118 CO 0.09 0.00 0.02 1.56 0.02 0.00 0.00 177.57 179.26 1wfs h GLN 119 N -0.28 0.10 -0.53 1.57 4.20 -1.07 0.18 115.11 119.28 1wfs h GLN 119 Ca 0.16 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.94 1wfs h GLN 119 Cb 0.56 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.27 1wfs h GLN 119 CO -0.58 0.06 0.22 1.15 -0.67 0.00 0.00 178.83 179.01 1wfs h THR 120 N 0.10 0.85 0.00 -0.54 2.02 -0.94 0.19 112.91 114.60 1wfs h THR 120 Ca 0.45 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.49 1wfs h THR 120 Cb 0.82 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1wfs h THR 120 CO -0.71 0.08 0.00 0.00 0.37 0.00 0.00 175.52 175.26 1wfs n ALA 121 N -2.40 1.86 -3.36 6.16 0.00 0.56 -4.80 120.51 118.53 1wfs n ALA 121 Ca 0.06 -0.07 -0.18 0.00 0.00 0.00 0.00 53.44 53.25 1wfs n ALA 121 Cb 0.20 -1.25 0.05 0.00 0.00 0.00 0.00 19.45 18.45 1wfs n ALA 121 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wfs n GLU 122 N -1.28 -1.86 -3.95 0.00 4.07 0.68 -4.81 120.64 113.49 1wfs n GLU 122 Ca 0.07 0.82 -0.31 0.00 -0.06 0.00 0.00 57.16 57.69 1wfs n GLU 122 Cb 0.12 -5.30 -0.15 0.00 -0.06 0.00 0.00 31.44 26.05 1wfs n GLU 122 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1wfs s LEU 123 N -5.53 3.69 0.33 4.31 1.43 -1.22 -4.96 118.68 116.73 1wfs s LEU 123 Ca 0.41 -1.79 0.15 0.00 -1.03 0.00 0.00 54.13 51.87 1wfs s LEU 123 Cb -0.08 -1.38 0.55 0.00 0.03 0.00 0.00 46.19 45.31 1wfs s LEU 123 CO 0.78 -0.34 1.69 0.00 0.23 0.00 0.00 176.35 178.71 1wfs h THR 124 N 6.61 1.15 -1.92 5.49 1.03 -1.93 -3.39 112.91 119.95 1wfs h THR 124 Ca -0.10 -1.75 -0.66 0.00 -0.01 0.00 0.00 66.41 63.89 1wfs h THR 124 Cb 1.03 1.99 -0.15 0.00 -1.07 0.00 0.00 68.15 69.96 1wfs h THR 124 CO 0.48 0.47 1.13 -0.54 -0.01 0.00 0.00 175.52 177.05 1wfs s LYS 125 N -3.66 3.64 -0.43 0.00 -0.14 -1.26 -4.97 119.74 112.92 1wfs s LYS 125 Ca -0.01 -1.62 -0.14 0.00 -1.36 0.00 0.00 55.97 52.84 1wfs s LYS 125 Cb 0.12 -5.09 0.05 0.00 -1.68 0.00 0.00 37.83 31.23 1wfs s LYS 125 CO 0.72 -1.93 0.32 0.08 -0.76 0.00 0.00 175.35 173.78 1wfs s VAL 126 N 3.39 4.98 -0.02 3.17 1.01 -1.26 -0.35 120.40 131.32 1wfs s VAL 126 Ca 0.38 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1wfs s VAL 126 Cb -0.03 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1wfs s VAL 126 CO -0.08 -0.45 0.02 -0.36 0.00 0.00 0.00 175.10 174.23 1wfs s PHE 127 N 1.60 3.15 -0.25 5.22 0.08 -0.53 -4.98 117.98 122.27 1wfs s PHE 127 Ca 0.04 0.14 0.03 0.00 0.12 0.00 0.00 56.93 57.26 1wfs s PHE 127 Cb -0.22 -1.72 0.05 0.00 -0.57 0.00 0.00 43.02 40.57 1wfs s PHE 127 CO 0.07 0.49 -0.11 -2.00 -0.10 0.00 0.00 175.22 173.56 1wfs s GLU 128 N -1.42 2.34 -0.14 0.44 2.12 -1.26 -2.14 118.70 118.64 1wfs s GLU 128 Ca 0.19 -1.28 -0.21 0.00 0.36 0.00 0.00 54.97 54.02 1wfs s GLU 128 Cb -0.12 -2.87 -0.03 0.00 0.26 0.00 0.00 34.13 31.37 1wfs s GLU 128 CO 0.09 -0.53 0.61 0.96 -0.54 0.00 0.00 175.26 175.85 1wfs s ILE 129 N 1.13 5.08 -0.71 -3.70 -4.36 -1.16 -4.94 121.20 112.54 1wfs s ILE 129 Ca -0.07 1.20 0.21 0.00 -0.26 0.00 0.00 60.65 61.73 1wfs s ILE 129 Cb -0.19 -3.94 0.21 0.00 1.25 0.00 0.00 42.46 39.79 1wfs s ILE 129 CO -0.06 0.21 1.66 -1.14 0.24 0.00 0.00 174.94 175.85 1wfs n ARG 130 N 4.28 0.13 -3.64 0.37 3.00 -1.26 -3.63 116.66 115.91 1wfs n ARG 130 Ca -0.03 0.32 -0.05 0.00 -0.00 0.00 0.00 57.85 58.09 1wfs n ARG 130 Cb 0.51 -1.72 -0.07 0.00 0.00 0.00 0.00 32.46 31.18 1wfs n ARG 130 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 1wfs s THR 131 N -3.17 0.00 0.21 5.15 -1.32 -1.26 -4.11 115.64 111.13 1wfs s THR 131 Ca 0.06 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.50 1wfs s THR 131 Cb 0.10 -1.00 0.33 0.00 -1.51 0.00 0.00 72.50 70.42 1wfs s THR 131 CO 0.38 0.00 1.15 0.35 -2.21 0.00 0.00 174.62 174.29 1wfs n THR 132 N 1.53 -0.31 -0.37 5.08 -2.24 -1.26 0.68 114.28 117.39 1wfs n THR 132 Ca -0.09 1.67 0.01 0.00 -2.27 0.00 0.00 64.05 63.36 1wfs n THR 132 Cb 0.57 -2.34 0.07 0.00 -2.10 0.00 0.00 70.33 66.53 1wfs n THR 132 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1wfs n ASP 133 N -5.15 -0.56 -0.34 3.42 9.92 -1.26 0.36 116.55 122.95 1wfs n ASP 133 Ca 0.13 1.73 0.12 0.00 -0.53 0.00 0.00 54.79 56.24 1wfs n ASP 133 Cb 0.42 -0.44 0.24 0.00 -0.64 0.00 0.00 41.12 40.71 1wfs n ASP 133 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1wfs h ASP 134 N 0.00 -0.58 -0.08 -2.24 5.19 -0.16 -3.28 116.42 115.28 1wfs h ASP 134 Ca 0.39 0.28 -0.00 0.00 -0.62 0.00 0.00 57.03 57.08 1wfs h ASP 134 Cb 0.64 0.51 -0.00 0.00 0.18 0.00 0.00 39.33 40.66 1wfs h ASP 134 CO -1.00 -0.34 0.15 -0.11 -3.12 0.00 0.00 179.24 174.82 1wfs n LEU 135 N -5.51 0.87 -4.27 1.55 7.94 0.16 -4.52 117.00 113.20 1wfs n LEU 135 Ca 0.21 -2.31 -0.26 0.00 -1.11 0.00 0.00 56.01 52.54 1wfs n LEU 135 Cb 0.68 -1.58 -0.14 0.00 0.53 0.00 0.00 43.42 42.91 1wfs n LEU 135 CO -0.07 -3.38 -0.53 0.42 -1.11 0.00 0.00 177.39 172.71 1wfs s THR 136 N 15.03 1.77 0.29 1.96 -4.23 -1.24 -4.56 115.64 124.66 1wfs s THR 136 Ca 0.71 -1.28 0.12 0.00 -1.18 0.00 0.00 61.69 60.07 1wfs s THR 136 Cb -0.05 -1.54 0.31 0.00 1.34 0.00 0.00 72.50 72.56 1wfs s THR 136 CO 0.16 0.20 1.29 1.21 -0.54 0.00 0.00 174.62 176.95 1wfs n GLU 137 N 1.74 -0.05 0.09 3.99 2.13 -1.26 -0.47 120.64 126.79 1wfs n GLU 137 Ca -0.17 1.16 -0.06 0.00 0.66 0.00 0.00 57.16 58.75 1wfs n GLU 137 Cb 0.53 -2.01 -0.04 0.00 0.27 0.00 0.00 31.44 30.19 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 0.18 0.00 6.31 2.02 -1.95 -1.59 112.91 117.88 1wfs h THR 138 Ca 0.63 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1wfs h THR 138 Cb 1.59 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1wfs h THR 138 CO -0.68 0.05 0.58 -0.25 0.37 0.00 0.00 175.52 175.60 1wfs h TRP 139 N -1.06 0.00 0.00 3.16 7.01 -1.02 0.44 115.95 124.49 1wfs h TRP 139 Ca -0.03 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.97 1wfs h TRP 139 Cb 0.32 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.38 1wfs h TRP 139 CO 0.02 0.00 -0.51 -0.11 -2.79 0.00 0.00 178.44 175.05 1wfs n LEU 140 N -2.70 1.66 0.29 0.65 -0.00 0.38 -3.77 117.00 113.51 1wfs n LEU 140 Ca -0.01 0.57 0.19 0.00 -0.00 0.00 0.00 56.01 56.76 1wfs n LEU 140 Cb 0.61 -0.83 0.99 0.00 -0.00 0.00 0.00 43.42 44.19 1wfs n LEU 140 CO 0.08 -0.46 1.16 0.11 -0.00 0.00 0.00 177.39 178.28 1wfs h LYS 141 N -0.91 0.00 -0.08 1.96 1.57 -0.37 -1.72 116.57 117.02 1wfs h LYS 141 Ca 0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1wfs h LYS 141 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 1wfs h LYS 141 CO 0.00 0.00 -0.13 0.93 -0.57 0.00 0.00 179.45 179.68 1wfs h GLU 142 N 0.00 0.23 -0.67 3.15 5.08 -0.33 -0.20 114.58 121.84 1wfs h GLU 142 Ca 0.03 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1wfs h GLU 142 Cb 0.26 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1wfs h GLU 142 CO -0.00 0.71 0.44 0.87 -1.00 0.00 0.00 179.01 180.03 1wfs h LYS 143 N -0.23 0.88 0.04 2.33 1.79 -1.41 -1.24 116.57 118.74 1wfs h LYS 143 Ca 0.01 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1wfs h LYS 143 Cb 0.69 -0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1wfs h LYS 143 CO 0.03 0.59 -0.02 -0.07 -1.08 0.00 0.00 179.45 178.90 1wfs h LEU 144 N 0.91 -0.05 0.20 2.94 3.38 -1.49 -2.60 115.31 118.60 1wfs h LEU 144 Ca 0.24 -0.61 0.01 0.00 0.09 0.00 0.00 57.88 57.61 1wfs h LEU 144 Cb -0.10 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1wfs h LEU 144 CO -0.05 0.64 -0.51 0.00 0.09 0.00 0.00 178.44 178.61 1wfs h ALA 145 N 0.06 -1.02 -0.32 1.53 0.00 -0.87 -1.16 119.26 117.47 1wfs h ALA 145 Ca -0.01 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 1wfs h ALA 145 Cb 0.66 0.85 -0.10 0.00 0.00 0.00 0.00 17.79 19.21 1wfs h ALA 145 CO 0.01 -1.13 0.22 -1.13 0.00 0.00 0.00 179.25 177.22 1wfs n SER 146 N -5.39 3.73 -0.03 0.00 3.41 -0.48 -5.00 113.62 109.86 1wfs n SER 146 Ca -0.09 -2.57 0.00 0.00 -0.26 0.00 0.00 58.87 55.95 1wfs n SER 146 Cb 0.41 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 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 0.11 0.41 1.36 5.00 0.00 -0.44 -4.75 105.19 106.88 1wfs n GLY 147 Ca 0.19 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.06 -1.86 -3.07 1.61 -0.04 -1.25 -4.46 135.00 125.88 1wfs n PRO 148 Ca 0.00 -0.68 -0.00 0.00 -0.04 0.00 0.00 63.50 62.78 1wfs n PRO 148 Cb 0.00 -0.64 -0.00 0.00 -0.04 0.00 0.00 33.50 32.82 1wfs n PRO 148 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wfs n SER 149 N -3.73 -6.81 -3.64 3.54 7.64 -1.26 -5.02 113.62 104.33 1wfs n SER 149 Ca 0.06 0.69 -0.05 0.00 1.01 0.00 0.00 58.87 60.58 1wfs n SER 149 Cb 0.23 -2.48 -0.06 0.00 -1.01 0.00 0.00 64.21 60.89 1wfs n SER 149 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wfs s SER 150 N -1.05 -1.01 0.00 6.43 1.04 -1.26 -5.10 113.70 112.75 1wfs s SER 150 Ca -0.01 1.53 0.00 0.00 0.48 0.00 0.00 55.95 57.95 1wfs s SER 150 Cb 0.00 1.66 0.00 0.00 0.10 0.00 0.00 66.02 67.78 1wfs s SER 150 CO 0.19 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.79