#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfs h SER 2 N 0.00 -1.60 -3.95 1.61 0.87 -2.04 -3.47 113.55 104.96 1wfs h SER 2 Ca 0.00 0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1wfs h SER 2 Cb 0.00 0.72 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 1wfs h SER 2 CO 0.00 -0.33 -0.59 -0.24 -0.53 0.00 0.00 176.83 175.14 1wfs n SER 3 N -5.39 -6.42 0.00 6.23 2.88 -1.26 -5.05 113.62 104.60 1wfs n SER 3 Ca 0.01 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 1wfs n SER 3 Cb 0.34 -3.52 0.00 0.00 -0.75 0.00 0.00 64.21 60.28 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 1.14 0.71 2.58 0.46 0.00 -1.26 -4.91 105.19 103.91 1wfs n GLY 4 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.25 2.61 -3.79 1.61 2.88 -1.26 -5.01 113.62 110.42 1wfs n SER 5 Ca 0.00 -2.65 -0.29 0.00 -1.33 0.00 0.00 58.87 54.60 1wfs n SER 5 Cb 0.00 -0.45 -0.15 0.00 -0.75 0.00 0.00 64.21 62.86 1wfs n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wfs s SER 6 N -3.66 3.76 0.27 -3.46 0.15 -1.26 -5.03 113.70 104.46 1wfs s SER 6 Ca 0.34 -1.37 0.00 0.00 0.70 0.00 0.00 55.95 55.62 1wfs s SER 6 Cb 0.36 -0.91 0.00 0.00 -1.71 0.00 0.00 66.02 63.77 1wfs s SER 6 CO -0.02 -0.35 0.00 0.61 1.20 0.00 0.00 173.24 174.68 1wfs n GLY 7 N 4.83 -4.96 3.34 9.45 0.00 -1.26 -4.83 105.19 111.76 1wfs n GLY 7 Ca -0.05 -0.42 -0.45 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.31 7.18 -0.35 1.61 1.04 -1.26 -4.84 113.70 115.78 1wfs s SER 8 Ca 0.00 -3.35 -0.05 0.00 0.48 0.00 0.00 55.95 53.03 1wfs s SER 8 Cb 0.00 -2.22 0.19 0.00 0.10 0.00 0.00 66.02 64.09 1wfs s SER 8 CO 0.00 -0.37 0.96 1.51 0.98 0.00 0.00 173.24 176.32 1wfs s ASP 9 N 1.58 -0.59 0.14 7.02 -4.77 -1.26 -5.17 116.67 113.62 1wfs s ASP 9 Ca 0.28 -0.35 0.08 0.00 -3.30 0.00 0.00 52.55 49.25 1wfs s ASP 9 Cb -0.10 0.76 -0.04 0.00 -1.09 0.00 0.00 42.92 42.45 1wfs s ASP 9 CO -0.08 -0.06 -0.18 -0.94 0.70 0.00 0.00 175.17 174.61 1wfs s SER 10 N 1.81 2.50 0.30 2.11 1.04 -1.26 -5.12 113.70 115.08 1wfs s SER 10 Ca 0.16 -0.81 0.05 0.00 0.48 0.00 0.00 55.95 55.83 1wfs s SER 10 Cb 0.03 -0.13 -0.02 0.00 0.10 0.00 0.00 66.02 65.99 1wfs s SER 10 CO -0.13 -0.04 0.19 0.18 0.98 0.00 0.00 173.24 174.42 1wfs n LEU 11 N 0.52 0.00 -2.51 2.42 4.77 -1.26 -5.04 117.00 115.90 1wfs n LEU 11 Ca -0.15 -2.62 -0.34 0.00 -0.03 0.00 0.00 56.01 52.87 1wfs n LEU 11 Cb 0.56 1.17 0.04 0.00 -2.33 0.00 0.00 43.42 42.87 1wfs n LEU 11 CO 0.27 -0.42 1.09 0.55 -1.33 0.00 0.00 177.39 177.55 1wfs n VAL 12 N -0.63 3.25 -0.95 4.08 3.14 -1.26 -3.95 118.33 122.01 1wfs n VAL 12 Ca 0.02 -3.94 -0.31 0.00 -2.96 0.00 0.00 64.34 57.15 1wfs n VAL 12 Cb 0.51 -1.20 0.02 0.00 -1.06 0.00 0.00 33.84 32.10 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 -0.68 0.00 -4.37 1.55 3.14 -1.26 -4.84 118.33 111.86 1wfs n VAL 13 Ca 0.53 -0.41 -0.20 0.00 -2.96 0.00 0.00 64.34 61.30 1wfs n VAL 13 Cb 0.56 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.28 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 -3.25 2.78 -0.64 0.00 -1.05 -1.15 -4.89 118.70 110.50 1wfs s GLU 15 Ca 0.22 -1.15 -0.22 0.00 -0.15 0.00 0.00 54.97 53.67 1wfs s GLU 15 Cb 0.01 -2.47 0.08 0.00 -0.44 0.00 0.00 34.13 31.31 1wfs s GLU 15 CO 0.15 0.37 0.89 0.54 0.95 0.00 0.00 175.26 178.16 1wfs s VAL 16 N -2.19 4.46 0.14 1.83 0.11 -1.26 -0.26 120.40 123.23 1wfs s VAL 16 Ca 0.33 -0.51 -0.20 0.00 -2.93 0.00 0.00 61.98 58.68 1wfs s VAL 16 Cb -0.07 -4.62 -0.12 0.00 -1.53 0.00 0.00 36.38 30.03 1wfs s VAL 16 CO 0.24 -1.35 0.37 -0.67 -3.33 0.00 0.00 175.10 170.35 1wfs n ASP 17 N 7.32 -0.87 0.17 3.54 -0.08 -0.88 -4.61 116.55 121.14 1wfs n ASP 17 Ca -0.05 0.79 0.01 0.00 -1.51 0.00 0.00 54.79 54.03 1wfs n ASP 17 Cb 0.45 -0.67 0.29 0.00 2.34 0.00 0.00 41.12 43.53 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 0.71 0.00 0.00 -0.67 0.13 -1.95 -0.47 132.00 129.76 1wfs h PRO 18 Ca -0.20 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.83 1wfs h PRO 18 Cb 1.01 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.12 1wfs h PRO 18 CO 0.40 0.47 -0.50 1.05 -0.23 0.00 0.00 178.00 179.19 1wfs h GLU 19 N 0.00 0.00 0.11 0.86 -0.00 -1.95 -3.30 114.58 110.31 1wfs h GLU 19 Ca -0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 59.36 59.04 1wfs h GLU 19 Cb 0.85 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.59 1wfs h GLU 19 CO 0.06 0.50 -1.64 1.25 -0.00 0.00 0.00 179.01 179.18 1wfs h LEU 20 N 0.00 0.36 -1.09 3.06 6.46 -1.82 -3.34 115.31 118.95 1wfs h LEU 20 Ca -0.01 -0.85 0.41 0.00 -0.12 0.00 0.00 57.88 57.31 1wfs h LEU 20 Cb 1.16 -0.12 -0.16 0.00 -0.73 0.00 0.00 40.66 40.81 1wfs h LEU 20 CO 0.07 1.71 0.62 0.50 -0.62 0.00 0.00 178.44 180.71 1wfs h LYS 21 N -0.23 0.07 -0.21 1.25 3.64 -1.16 0.94 116.57 120.87 1wfs h LYS 21 Ca -0.36 -0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 58.86 1wfs h LYS 21 Cb 1.83 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.64 1wfs h LYS 21 CO 0.04 0.05 -0.46 0.93 -2.27 0.00 0.00 179.45 177.74 1wfs h GLU 22 N 0.07 0.69 -0.79 1.90 5.08 -1.71 -2.98 114.58 116.85 1wfs h GLU 22 Ca 0.83 -0.46 0.18 0.00 -1.00 0.00 0.00 59.36 58.91 1wfs h GLU 22 Cb 2.24 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 31.43 1wfs h GLU 22 CO -0.67 1.08 0.22 1.15 -1.00 0.00 0.00 179.01 179.79 1wfs h THR 23 N 0.40 0.48 0.09 1.13 2.02 0.79 0.92 112.91 118.74 1wfs h THR 23 Ca 0.00 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 1wfs h THR 23 Cb 1.07 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1wfs h THR 23 CO 0.10 0.05 -0.05 -0.07 0.37 0.00 0.00 175.52 175.93 1wfs h LEU 24 N 0.29 -0.11 -2.09 2.58 3.38 -1.47 0.70 115.31 118.58 1wfs h LEU 24 Ca 0.46 -0.30 0.09 0.00 0.09 0.00 0.00 57.88 58.22 1wfs h LEU 24 Cb 0.81 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1wfs h LEU 24 CO -0.53 0.26 0.32 -0.09 0.09 0.00 0.00 178.44 178.48 1wfs h ARG 25 N -0.49 0.00 0.14 1.13 2.43 -1.13 -1.15 114.38 115.32 1wfs h ARG 25 Ca -0.01 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.84 1wfs h ARG 25 Cb 0.40 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1wfs h ARG 25 CO 0.02 0.00 -1.60 0.87 -1.51 0.00 0.00 179.97 177.75 1wfs h LYS 26 N 0.00 0.31 -0.83 0.20 1.79 -0.63 -3.23 116.57 114.18 1wfs h LYS 26 Ca 0.15 -0.52 0.09 0.00 -2.18 0.00 0.00 60.65 58.18 1wfs h LYS 26 Cb 0.78 0.19 -0.06 0.00 -1.58 0.00 0.00 32.23 31.57 1wfs h LYS 26 CO -0.00 1.25 0.54 0.35 -1.08 0.00 0.00 179.45 180.51 1wfs h PHE 27 N -0.11 0.87 -0.05 -1.35 3.57 0.32 1.32 116.94 121.51 1wfs h PHE 27 Ca -0.33 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.05 1wfs h PHE 27 Cb 1.92 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 40.36 1wfs h PHE 27 CO 0.11 0.42 -0.62 0.00 -2.23 0.00 0.00 178.31 175.99 1wfs h ARG 28 N 0.83 0.17 -0.82 1.11 3.08 -1.46 -3.26 114.38 114.04 1wfs h ARG 28 Ca 0.37 -0.12 -0.52 0.00 0.07 0.00 0.00 59.98 59.78 1wfs h ARG 28 Cb 0.36 0.02 -0.43 0.00 0.08 0.00 0.00 29.97 30.01 1wfs h ARG 28 CO -0.14 0.74 -0.85 1.19 -1.07 0.00 0.00 179.97 179.84 1wfs n PHE 29 N -3.84 2.65 -2.23 3.04 3.72 -0.29 -5.07 117.46 115.44 1wfs n PHE 29 Ca -0.02 -2.33 -0.31 0.00 -0.05 0.00 0.00 57.45 54.74 1wfs n PHE 29 Cb 0.63 -0.30 -0.01 0.00 -0.94 0.00 0.00 39.48 38.86 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 3.71 -0.20 -1.08 1.70 0.44 -4.90 118.95 115.01 1wfs s ARG 30 Ca 0.48 0.70 0.01 0.00 -0.47 0.00 0.00 55.73 56.44 1wfs s ARG 30 Cb 0.40 -2.17 0.24 0.00 -0.57 0.00 0.00 34.95 32.85 1wfs s ARG 30 CO 0.00 -0.38 1.54 1.63 -1.08 0.00 0.00 175.30 177.01 1wfs n LYS 31 N -2.20 1.53 -3.39 3.89 4.76 -1.26 -4.89 118.16 116.61 1wfs n LYS 31 Ca 0.05 -1.21 -0.23 0.00 -2.87 0.00 0.00 58.31 54.06 1wfs n LYS 31 Cb 0.54 -1.47 0.04 0.00 -1.84 0.00 0.00 35.03 32.29 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 -1.35 2.26 0.00 1.97 0.41 -1.26 -5.06 118.70 115.68 1wfs s GLU 32 Ca 0.23 -1.82 0.01 0.00 -0.41 0.00 0.00 54.97 52.98 1wfs s GLU 32 Cb 0.19 -2.41 0.02 0.00 -1.78 0.00 0.00 34.13 30.15 1wfs s GLU 32 CO 0.03 -0.79 0.72 0.25 -0.49 0.00 0.00 175.26 174.98 1wfs n THR 33 N -2.07 0.00 -4.40 3.63 -2.24 -1.26 -5.13 114.28 102.81 1wfs n THR 33 Ca 0.09 -0.05 -0.18 0.00 -2.27 0.00 0.00 64.05 61.63 1wfs n THR 33 Cb 0.63 0.23 -0.04 0.00 -2.10 0.00 0.00 70.33 69.05 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 0.03 2.33 -4.68 3.42 6.94 -1.26 -5.06 115.26 116.97 1wfs n ASN 34 Ca -0.06 -2.31 -0.39 0.00 -0.02 0.00 0.00 54.58 51.81 1wfs n ASN 34 Cb 0.61 0.33 -0.07 0.00 -2.36 0.00 0.00 39.78 38.29 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 -2.60 6.58 0.07 0.53 0.01 -1.26 -4.89 114.94 113.38 1wfs s ASN 35 Ca 0.04 0.70 -0.01 0.00 -0.71 0.00 0.00 52.86 52.88 1wfs s ASN 35 Cb 0.00 -2.28 -0.04 0.00 0.41 0.00 0.00 41.25 39.34 1wfs s ASN 35 CO 0.03 -0.11 -0.01 0.00 -1.51 0.00 0.00 177.10 175.49 1wfs s ALA 36 N 1.29 0.62 0.06 0.60 0.00 -1.18 0.17 121.76 123.32 1wfs s ALA 36 Ca 0.24 -1.28 0.03 0.00 0.00 0.00 0.00 51.96 50.94 1wfs s ALA 36 Cb -0.15 0.41 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 1wfs s ALA 36 CO 0.10 -0.39 -0.08 0.00 0.00 0.00 0.00 175.76 175.38 1wfs s ALA 37 N -3.94 0.72 -0.17 0.00 0.00 0.67 -0.18 121.76 118.86 1wfs s ALA 37 Ca 0.11 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 1wfs s ALA 37 Cb 0.08 0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.29 1wfs s ALA 37 CO -0.07 -0.03 -0.01 0.42 0.00 0.00 0.00 175.76 176.08 1wfs s ILE 38 N -1.72 0.79 -0.39 0.00 1.01 -0.66 -1.39 121.20 118.85 1wfs s ILE 38 Ca -0.05 -0.56 -0.17 0.00 0.00 0.00 0.00 60.65 59.86 1wfs s ILE 38 Cb -0.08 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.27 1wfs s ILE 38 CO -0.00 -0.03 0.44 -0.63 0.00 0.00 0.00 174.94 174.71 1wfs s ILE 39 N 1.75 5.09 0.05 2.92 1.01 -0.57 -0.81 121.20 130.63 1wfs s ILE 39 Ca -0.00 -0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.59 1wfs s ILE 39 Cb -0.16 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 1wfs s ILE 39 CO -0.07 -0.30 -0.00 -0.04 0.00 0.00 0.00 174.94 174.52 1wfs s MET 40 N 2.18 2.64 0.43 2.79 -1.94 0.44 -0.09 119.30 125.76 1wfs s MET 40 Ca 0.14 -0.74 0.03 0.00 -1.71 0.00 0.00 55.69 53.41 1wfs s MET 40 Cb -0.16 -2.59 -0.03 0.00 2.01 0.00 0.00 34.83 34.06 1wfs s MET 40 CO 0.13 0.58 0.06 -1.59 -0.01 0.00 0.00 175.02 174.18 1wfs s LYS 41 N -1.96 1.99 -0.26 2.03 -2.85 0.30 -1.31 119.74 117.67 1wfs s LYS 41 Ca 0.23 -2.21 0.01 0.00 -1.00 0.00 0.00 55.97 53.00 1wfs s LYS 41 Cb -0.12 -1.12 0.07 0.00 -2.06 0.00 0.00 37.83 34.60 1wfs s LYS 41 CO 0.15 -0.33 -0.02 0.54 0.10 0.00 0.00 175.35 175.79 1wfs s VAL 42 N -3.04 1.60 0.00 1.79 0.11 -1.26 0.96 120.40 120.57 1wfs s VAL 42 Ca 0.21 -1.47 -0.30 0.00 -2.93 0.00 0.00 61.98 57.49 1wfs s VAL 42 Cb 0.04 -1.96 -0.07 0.00 -1.53 0.00 0.00 36.38 32.86 1wfs s VAL 42 CO 0.11 -0.27 1.67 -1.81 -3.33 0.00 0.00 175.10 171.47 1wfs s ASP 43 N 1.32 6.64 0.37 3.54 1.01 -0.12 -4.81 116.67 124.62 1wfs s ASP 43 Ca -0.01 2.36 0.14 0.00 0.71 0.00 0.00 52.55 55.75 1wfs s ASP 43 Cb -0.19 -2.55 0.71 0.00 1.01 0.00 0.00 42.92 41.91 1wfs s ASP 43 CO -0.09 -0.91 1.80 0.50 0.21 0.00 0.00 175.17 176.68 1wfs h LYS 44 N 9.09 0.00 -0.28 8.23 3.64 -1.96 1.54 116.57 136.84 1wfs h LYS 44 Ca -0.41 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 58.81 1wfs h LYS 44 Cb 1.19 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1wfs h LYS 44 CO 0.94 0.39 -0.45 0.22 -2.27 0.00 0.00 179.45 178.28 1wfs h ASP 45 N 0.00 0.87 -0.15 4.20 1.82 -1.97 -3.19 116.42 117.99 1wfs h ASP 45 Ca -0.00 -0.52 0.00 0.00 -0.39 0.00 0.00 57.03 56.11 1wfs h ASP 45 Cb 0.72 -0.25 0.00 0.00 0.68 0.00 0.00 39.33 40.49 1wfs h ASP 45 CO 0.05 1.23 0.00 0.54 -1.61 0.00 0.00 179.24 179.45 1wfs n ARG 46 N -4.12 2.05 -4.14 0.28 1.74 -1.13 -4.98 116.66 106.38 1wfs n ARG 46 Ca -0.04 -1.89 -0.28 0.00 -0.77 0.00 0.00 57.85 54.86 1wfs n ARG 46 Cb 0.57 -1.42 -0.09 0.00 -1.02 0.00 0.00 32.46 30.51 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 1.21 -0.94 -3.95 5.56 1.13 0.52 -4.89 117.38 116.03 1wfs n GLN 47 Ca 0.14 0.08 -0.10 0.00 -1.94 0.00 0.00 57.00 55.19 1wfs n GLN 47 Cb 0.53 -3.26 -0.10 0.00 0.11 0.00 0.00 30.24 27.52 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 -6.92 0.46 -0.52 -1.09 0.23 -1.05 -2.94 119.30 107.46 1wfs s MET 48 Ca 0.04 -0.64 -0.27 0.00 -1.03 0.00 0.00 55.69 53.79 1wfs s MET 48 Cb -0.02 0.18 0.03 0.00 -1.53 0.00 0.00 34.83 33.49 1wfs s MET 48 CO 0.90 -0.10 1.05 0.08 -2.03 0.00 0.00 175.02 174.92 1wfs s VAL 49 N -1.95 4.26 -0.02 5.16 1.01 0.65 -0.94 120.40 128.57 1wfs s VAL 49 Ca -0.11 0.76 0.06 0.00 0.00 0.00 0.00 61.98 62.70 1wfs s VAL 49 Cb -0.06 -4.58 -0.02 0.00 0.00 0.00 0.00 36.38 31.72 1wfs s VAL 49 CO -0.02 -1.10 -0.21 0.68 0.00 0.00 0.00 175.10 174.46 1wfs s VAL 50 N 4.30 2.51 0.57 2.92 -7.23 0.27 -2.07 120.40 121.67 1wfs s VAL 50 Ca 0.39 -0.99 -0.18 0.00 -1.81 0.00 0.00 61.98 59.39 1wfs s VAL 50 Cb -0.09 -1.94 -0.09 0.00 0.56 0.00 0.00 36.38 34.82 1wfs s VAL 50 CO 0.25 0.55 0.52 -0.11 -0.31 0.00 0.00 175.10 176.00 1wfs n LEU 51 N 2.26 0.75 0.00 1.32 0.00 -1.26 -0.54 117.00 119.53 1wfs n LEU 51 Ca -0.16 0.73 0.00 0.00 0.00 0.00 0.00 56.01 56.58 1wfs n LEU 51 Cb 0.52 -1.17 0.00 0.00 0.00 0.00 0.00 43.42 42.76 1wfs n LEU 51 CO 0.24 -3.07 -0.46 1.21 0.00 0.00 0.00 177.39 175.31 1wfs n GLU 52 N -0.05 0.00 -3.77 1.96 2.13 0.88 -4.58 120.64 117.21 1wfs n GLU 52 Ca 0.12 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.86 1wfs n GLU 52 Cb 0.47 -0.88 -0.02 0.00 0.27 0.00 0.00 31.44 31.28 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 -4.09 -0.29 -0.25 4.31 1.01 -0.13 -5.01 116.67 112.23 1wfs s ASP 53 Ca 0.00 -0.47 -0.03 0.00 0.71 0.00 0.00 52.55 52.76 1wfs s ASP 53 Cb 0.00 0.66 0.13 0.00 1.01 0.00 0.00 42.92 44.72 1wfs s ASP 53 CO 0.00 -1.20 0.42 -1.61 0.21 0.00 0.00 175.17 172.99 1wfs s GLU 54 N -3.76 0.38 -0.14 8.23 2.02 -1.26 -1.52 118.70 122.65 1wfs s GLU 54 Ca 0.10 0.69 -0.04 0.00 0.02 0.00 0.00 54.97 55.73 1wfs s GLU 54 Cb -0.04 -0.20 -0.03 0.00 0.10 0.00 0.00 34.13 33.96 1wfs s GLU 54 CO 0.03 -0.57 0.01 -0.51 0.02 0.00 0.00 175.26 174.23 1wfs s LEU 55 N 2.60 3.56 0.19 1.80 1.43 -0.49 -4.99 118.68 122.79 1wfs s LEU 55 Ca 0.11 0.05 0.08 0.00 -1.03 0.00 0.00 54.13 53.34 1wfs s LEU 55 Cb -0.15 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 1wfs s LEU 55 CO -0.16 0.26 -0.03 -1.10 0.23 0.00 0.00 176.35 175.54 1wfs s GLN 56 N -0.14 2.27 -1.23 1.70 1.11 -1.26 -0.24 119.66 121.86 1wfs s GLN 56 Ca 0.05 -1.22 -0.11 0.00 0.01 0.00 0.00 55.36 54.09 1wfs s GLN 56 Cb -0.13 -2.25 -0.01 0.00 -1.01 0.00 0.00 33.01 29.61 1wfs s GLN 56 CO 0.02 0.43 0.68 0.27 0.01 0.00 0.00 175.29 176.71 1wfs n ASN 57 N -0.20 -3.33 -4.14 5.90 0.23 0.13 -4.94 115.26 108.91 1wfs n ASN 57 Ca -0.09 -0.97 -0.23 0.00 -0.53 0.00 0.00 54.58 52.75 1wfs n ASN 57 Cb 0.56 -3.49 -0.15 0.00 -2.08 0.00 0.00 39.78 34.62 1wfs n ASN 57 CO 0.00 0.00 0.00 -0.51 -0.93 0.00 0.00 177.26 175.82 1wfs s ILE 58 N -3.63 1.23 0.74 1.53 -1.16 -0.27 -4.98 121.20 114.68 1wfs s ILE 58 Ca 0.27 -0.69 -0.08 0.00 -0.51 0.00 0.00 60.65 59.63 1wfs s ILE 58 Cb -0.09 -1.03 0.07 0.00 0.61 0.00 0.00 42.46 42.02 1wfs s ILE 58 CO 0.85 0.33 1.07 -0.94 -2.81 0.00 0.00 174.94 173.45 1wfs s SER 59 N -0.42 4.68 0.00 4.50 1.04 -1.26 -4.47 113.70 117.77 1wfs s SER 59 Ca 0.06 0.55 0.11 0.00 0.48 0.00 0.00 55.95 57.16 1wfs s SER 59 Cb -0.06 -1.14 0.68 0.00 0.10 0.00 0.00 66.02 65.61 1wfs s SER 59 CO -0.00 -1.72 1.12 -0.81 0.98 0.00 0.00 173.24 172.80 1wfs n PRO 60 N -3.07 0.49 -0.04 4.02 -0.04 -1.26 -2.11 135.00 132.99 1wfs n PRO 60 Ca 0.08 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.55 1wfs n PRO 60 Cb 0.61 -1.36 -0.13 0.00 -0.04 0.00 0.00 33.50 32.57 1wfs n PRO 60 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1wfs n GLU 61 N -0.86 0.92 0.10 0.54 1.02 -1.26 -4.06 120.64 117.03 1wfs n GLU 61 Ca 0.09 -0.09 -0.24 0.00 -0.02 0.00 0.00 57.16 56.90 1wfs n GLU 61 Cb 0.04 -1.41 -0.15 0.00 -0.02 0.00 0.00 31.44 29.90 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 0.44 0.21 3.49 4.39 -1.80 -3.33 114.58 117.99 1wfs h GLU 62 Ca -0.20 -0.75 0.01 0.00 0.34 0.00 0.00 59.36 58.76 1wfs h GLU 62 Cb 1.34 0.28 -0.03 0.00 -0.10 0.00 0.00 28.75 30.24 1wfs h GLU 62 CO 0.01 1.36 -0.32 1.25 -1.16 0.00 0.00 179.01 180.15 1wfs h LEU 63 N 0.09 -0.91 -1.14 1.33 6.46 -1.76 -0.22 115.31 119.16 1wfs h LEU 63 Ca -0.31 0.09 0.27 0.00 -0.12 0.00 0.00 57.88 57.82 1wfs h LEU 63 Cb 2.10 0.33 -0.12 0.00 -0.73 0.00 0.00 40.66 42.24 1wfs h LEU 63 CO 0.21 -0.43 0.63 0.50 -0.62 0.00 0.00 178.44 178.72 1wfs h LYS 64 N -0.61 0.45 -0.26 1.25 3.64 -1.76 0.32 116.57 119.61 1wfs h LYS 64 Ca 0.01 -0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.18 1wfs h LYS 64 Cb 0.59 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1wfs h LYS 64 CO -0.13 0.30 -0.56 -0.07 -2.27 0.00 0.00 179.45 176.71 1wfs h LEU 65 N 0.46 0.90 -1.69 5.20 3.38 -1.43 -3.00 115.31 119.14 1wfs h LEU 65 Ca 0.65 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1wfs h LEU 65 Cb 1.44 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1wfs h LEU 65 CO -0.43 1.28 -0.18 -0.33 0.09 0.00 0.00 178.44 178.86 1wfs h GLU 66 N 0.62 0.00 -6.92 1.13 4.39 0.13 -3.43 114.58 110.50 1wfs h GLU 66 Ca 0.01 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 59.25 1wfs h GLU 66 Cb 1.16 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.79 1wfs h GLU 66 CO 0.12 0.18 0.35 -0.51 -1.16 0.00 0.00 179.01 177.99 1wfs s LEU 67 N -7.57 4.26 0.00 1.33 1.43 -0.20 -5.06 118.68 112.87 1wfs s LEU 67 Ca -0.03 1.81 -0.19 0.00 -1.03 0.00 0.00 54.13 54.69 1wfs s LEU 67 Cb 0.13 -4.12 0.28 0.00 0.03 0.00 0.00 46.19 42.52 1wfs s LEU 67 CO 0.63 -0.13 1.01 -0.81 0.23 0.00 0.00 176.35 177.28 1wfs n PRO 68 N 0.33 -2.99 -0.00 1.29 -0.04 -1.26 -4.96 135.00 127.36 1wfs n PRO 68 Ca 0.03 -1.61 0.03 0.00 -0.04 0.00 0.00 63.50 61.91 1wfs n PRO 68 Cb 0.51 -1.51 -0.05 0.00 -0.04 0.00 0.00 33.50 32.41 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 -4.59 0.27 -2.64 0.54 0.00 -1.26 -4.70 120.64 108.26 1wfs n GLU 69 Ca 0.14 -0.06 -0.06 0.00 0.00 0.00 0.00 57.16 57.18 1wfs n GLU 69 Cb 0.54 -1.16 0.04 0.00 0.00 0.00 0.00 31.44 30.87 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 -1.74 2.17 -3.45 3.44 5.12 -1.26 -4.53 116.66 116.41 1wfs n ARG 70 Ca -0.01 -3.67 -0.20 0.00 -1.93 0.00 0.00 57.85 52.04 1wfs n ARG 70 Cb 0.18 -1.76 -0.11 0.00 -1.16 0.00 0.00 32.46 29.61 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 -3.73 0.27 0.18 5.56 -0.21 -1.26 -4.61 119.66 115.85 1wfs s GLN 71 Ca 0.33 -0.15 -0.30 0.00 0.02 0.00 0.00 55.36 55.26 1wfs s GLN 71 Cb 0.35 -0.88 -0.08 0.00 1.00 0.00 0.00 33.01 33.39 1wfs s GLN 71 CO -0.02 -0.95 1.32 -1.25 -2.12 0.00 0.00 175.29 172.27 1wfs s PRO 72 N 2.30 4.38 0.22 2.91 0.04 -1.26 -4.70 135.00 138.89 1wfs s PRO 72 Ca 0.09 2.04 -0.23 0.00 0.04 0.00 0.00 61.00 62.94 1wfs s PRO 72 Cb -0.15 -3.21 0.05 0.00 0.04 0.00 0.00 34.50 31.23 1wfs s PRO 72 CO -0.29 -0.28 0.87 -0.98 0.04 0.00 0.00 177.00 176.36 1wfs s ARG 73 N 0.17 1.49 0.06 4.56 3.03 -0.45 -4.93 118.95 122.89 1wfs s ARG 73 Ca 0.58 -0.86 -0.07 0.00 2.03 0.00 0.00 55.73 57.42 1wfs s ARG 73 Cb -0.36 0.49 -0.05 0.00 -1.03 0.00 0.00 34.95 34.00 1wfs s ARG 73 CO 0.36 -0.69 0.33 -0.06 -1.13 0.00 0.00 175.30 174.12 1wfs s PHE 74 N -3.30 3.55 -0.10 5.89 0.08 -0.43 -1.85 117.98 121.82 1wfs s PHE 74 Ca 0.13 0.62 -0.04 0.00 0.12 0.00 0.00 56.93 57.76 1wfs s PHE 74 Cb -0.03 -2.04 0.05 0.00 -0.57 0.00 0.00 43.02 40.43 1wfs s PHE 74 CO 0.05 0.54 0.21 0.08 -0.10 0.00 0.00 175.22 176.00 1wfs s VAL 75 N -1.42 -0.23 -0.49 -0.44 1.01 0.32 -0.42 120.40 118.72 1wfs s VAL 75 Ca 0.33 0.26 -0.07 0.00 0.00 0.00 0.00 61.98 62.49 1wfs s VAL 75 Cb -0.13 -0.36 0.13 0.00 0.00 0.00 0.00 36.38 36.02 1wfs s VAL 75 CO 0.19 0.11 0.34 -0.69 0.00 0.00 0.00 175.10 175.05 1wfs s VAL 76 N 1.94 4.02 -0.07 2.92 1.01 0.01 0.89 120.40 131.12 1wfs s VAL 76 Ca -0.02 -1.99 -0.16 0.00 0.00 0.00 0.00 61.98 59.81 1wfs s VAL 76 Cb -0.12 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1wfs s VAL 76 CO -0.07 -0.78 0.42 -0.47 0.00 0.00 0.00 175.10 174.19 1wfs s TYR 77 N 1.12 3.60 -0.48 5.22 5.04 -1.18 -1.65 117.35 129.03 1wfs s TYR 77 Ca 0.08 0.89 -0.02 0.00 -2.44 0.00 0.00 57.07 55.59 1wfs s TYR 77 Cb -0.24 -2.40 0.13 0.00 0.35 0.00 0.00 41.96 39.79 1wfs s TYR 77 CO -0.02 0.40 0.27 0.45 -1.34 0.00 0.00 175.55 175.30 1wfs s SER 78 N -0.18 5.14 0.65 4.32 0.15 0.74 -2.41 113.70 122.11 1wfs s SER 78 Ca 0.23 -2.37 -0.07 0.00 0.70 0.00 0.00 55.95 54.45 1wfs s SER 78 Cb -0.16 -1.81 0.02 0.00 -1.71 0.00 0.00 66.02 62.37 1wfs s SER 78 CO 0.11 -0.45 0.97 -0.47 1.20 0.00 0.00 173.24 174.60 1wfs s TYR 79 N 0.65 3.18 -0.27 3.44 6.14 -1.25 -3.11 117.35 126.12 1wfs s TYR 79 Ca 0.12 0.68 0.03 0.00 0.64 0.00 0.00 57.07 58.53 1wfs s TYR 79 Cb -0.22 -2.94 0.07 0.00 0.42 0.00 0.00 41.96 39.29 1wfs s TYR 79 CO -0.04 -1.06 -0.08 0.21 0.64 0.00 0.00 175.55 175.22 1wfs s LYS 80 N -5.14 2.05 -0.16 4.97 2.20 -1.26 -2.63 119.74 119.76 1wfs s LYS 80 Ca 0.56 -1.41 -0.06 0.00 -0.36 0.00 0.00 55.97 54.70 1wfs s LYS 80 Cb -0.11 -2.91 -0.04 0.00 -1.51 0.00 0.00 37.83 33.26 1wfs s LYS 80 CO 0.46 -0.64 0.06 -0.47 -0.36 0.00 0.00 175.35 174.40 1wfs s TYR 81 N 1.09 3.27 0.28 4.03 6.14 0.11 -4.97 117.35 127.30 1wfs s TYR 81 Ca -0.05 0.12 0.07 0.00 0.64 0.00 0.00 57.07 57.85 1wfs s TYR 81 Cb -0.20 -2.02 -0.03 0.00 0.42 0.00 0.00 41.96 40.14 1wfs s TYR 81 CO -0.06 0.25 0.30 0.54 0.64 0.00 0.00 175.55 177.23 1wfs s VAL 82 N 0.05 4.41 0.00 3.14 0.11 -1.26 -0.27 120.40 126.58 1wfs s VAL 82 Ca 0.05 -1.22 0.00 0.00 -2.93 0.00 0.00 61.98 57.88 1wfs s VAL 82 Cb -0.12 -3.48 0.00 0.00 -1.53 0.00 0.00 36.38 31.25 1wfs s VAL 82 CO 0.01 -0.28 0.00 1.41 -3.33 0.00 0.00 175.10 172.91 1wfs n HIS 83 N -1.36 0.00 0.00 1.54 -0.00 0.16 -4.95 115.22 110.62 1wfs n HIS 83 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.66 1wfs n HIS 83 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.57 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 -1.09 0.00 0.08 0.41 8.00 -1.26 -4.94 116.55 117.76 1wfs n ASP 84 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.55 1wfs n ASP 84 Cb 0.00 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.37 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 0.26 0.00 -2.24 -0.08 -1.26 -4.65 116.55 108.58 1wfs n ASP 85 Ca 0.00 0.58 0.00 0.00 -1.51 0.00 0.00 54.79 53.86 1wfs n ASP 85 Cb 0.00 -0.60 0.00 0.00 2.34 0.00 0.00 41.12 42.86 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 -1.36 1.80 3.34 0.27 0.00 -1.26 -5.13 105.19 102.84 1wfs n GLY 86 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 3.12 -0.03 1.61 1.81 -1.26 -5.02 118.95 119.17 1wfs s ARG 87 Ca 0.00 -0.75 0.01 0.00 -1.72 0.00 0.00 55.73 53.26 1wfs s ARG 87 Cb 0.00 -2.48 0.02 0.00 -0.45 0.00 0.00 34.95 32.05 1wfs s ARG 87 CO 0.00 0.27 -0.02 0.54 -0.68 0.00 0.00 175.30 175.42 1wfs s VAL 88 N 0.16 0.28 0.17 3.52 0.11 -1.26 0.40 120.40 123.78 1wfs s VAL 88 Ca -0.09 0.01 0.08 0.00 -2.93 0.00 0.00 61.98 59.04 1wfs s VAL 88 Cb -0.16 -0.34 -0.04 0.00 -1.53 0.00 0.00 36.38 34.31 1wfs s VAL 88 CO 0.06 0.16 -0.17 -0.44 -3.33 0.00 0.00 175.10 171.37 1wfs s SER 89 N 0.87 2.60 -0.62 3.54 0.01 0.63 -4.97 113.70 115.77 1wfs s SER 89 Ca -0.10 -0.88 -0.10 0.00 1.31 0.00 0.00 55.95 56.19 1wfs s SER 89 Cb -0.13 -0.15 0.16 0.00 0.21 0.00 0.00 66.02 66.12 1wfs s SER 89 CO -0.01 -0.06 0.51 -0.31 0.41 0.00 0.00 173.24 173.78 1wfs s TYR 90 N -2.18 3.50 -0.78 2.43 2.02 -1.26 0.06 117.35 121.14 1wfs s TYR 90 Ca 0.16 -2.00 -0.25 0.00 -0.37 0.00 0.00 57.07 54.60 1wfs s TYR 90 Cb -0.05 -3.57 -0.04 0.00 -0.40 0.00 0.00 41.96 37.90 1wfs s TYR 90 CO 0.06 -0.97 1.92 -1.25 -1.57 0.00 0.00 175.55 173.74 1wfs s PRO 91 N 0.75 2.58 -0.00 -1.71 0.04 -1.08 -4.83 135.00 130.75 1wfs s PRO 91 Ca 0.11 0.08 -0.30 0.00 0.04 0.00 0.00 61.00 60.93 1wfs s PRO 91 Cb -0.21 -4.79 -0.05 0.00 0.04 0.00 0.00 34.50 29.49 1wfs s PRO 91 CO -0.03 -3.12 1.31 -0.51 0.04 0.00 0.00 177.00 174.69 1wfs s LEU 92 N 9.71 4.32 0.32 -3.56 1.02 -1.26 -3.90 118.68 125.34 1wfs s LEU 92 Ca 0.69 2.02 0.06 0.00 0.02 0.00 0.00 54.13 56.92 1wfs s LEU 92 Cb -0.09 -3.56 -0.06 0.00 0.02 0.00 0.00 46.19 42.49 1wfs s LEU 92 CO 0.08 -0.64 -0.01 0.00 0.02 0.00 0.00 176.35 175.80 1wfs s PHE 94 N -3.02 3.45 -0.38 0.00 5.36 -0.71 -3.08 117.98 119.60 1wfs s PHE 94 Ca 0.33 -2.05 -0.19 0.00 -0.96 0.00 0.00 56.93 54.07 1wfs s PHE 94 Cb 0.07 -2.93 0.00 0.00 -0.34 0.00 0.00 43.02 39.82 1wfs s PHE 94 CO 0.15 -0.90 0.53 0.42 -1.46 0.00 0.00 175.22 173.95 1wfs s ILE 95 N 1.25 4.99 -0.55 3.12 1.01 0.26 -0.96 121.20 130.31 1wfs s ILE 95 Ca 0.04 0.21 -0.18 0.00 0.00 0.00 0.00 60.65 60.73 1wfs s ILE 95 Cb -0.22 -4.02 0.09 0.00 0.01 0.00 0.00 42.46 38.32 1wfs s ILE 95 CO -0.02 -0.32 0.60 0.12 0.00 0.00 0.00 174.94 175.33 1wfs s PHE 96 N 2.45 3.09 -0.85 3.97 5.36 -0.83 -0.52 117.98 130.64 1wfs s PHE 96 Ca 0.19 -0.91 -0.25 0.00 -0.96 0.00 0.00 56.93 54.99 1wfs s PHE 96 Cb -0.15 -3.74 0.03 0.00 -0.34 0.00 0.00 43.02 38.82 1wfs s PHE 96 CO 0.14 -1.11 1.39 0.45 -1.46 0.00 0.00 175.22 174.63 1wfs s SER 97 N 3.25 6.24 -0.40 6.13 0.15 -0.77 -2.27 113.70 126.03 1wfs s SER 97 Ca 0.10 -0.84 0.02 0.00 0.70 0.00 0.00 55.95 55.93 1wfs s SER 97 Cb -0.24 -2.56 0.12 0.00 -1.71 0.00 0.00 66.02 61.63 1wfs s SER 97 CO 0.07 -1.75 0.18 -0.55 1.20 0.00 0.00 173.24 172.39 1wfs s SER 98 N 4.50 4.02 0.90 5.45 0.15 -1.11 -1.34 113.70 126.28 1wfs s SER 98 Ca 0.41 -2.37 -0.12 0.00 0.70 0.00 0.00 55.95 54.58 1wfs s SER 98 Cb -0.05 -1.18 0.13 0.00 -1.71 0.00 0.00 66.02 63.21 1wfs s SER 98 CO 0.05 -0.32 1.09 -2.16 1.20 0.00 0.00 173.24 173.10 1wfs s PRO 99 N 0.66 1.23 -0.19 5.44 0.04 -1.25 -4.35 135.00 136.59 1wfs s PRO 99 Ca 0.15 0.82 0.15 0.00 0.04 0.00 0.00 61.00 62.16 1wfs s PRO 99 Cb -0.22 -1.81 0.69 0.00 0.04 0.00 0.00 34.50 33.20 1wfs s PRO 99 CO -0.07 -2.26 1.60 1.55 0.04 0.00 0.00 177.00 177.86 1wfs n VAL 100 N -3.89 2.39 0.43 -0.36 3.14 -1.25 -4.27 118.33 114.52 1wfs n VAL 100 Ca 0.07 -1.53 0.05 0.00 -2.96 0.00 0.00 64.34 59.97 1wfs n VAL 100 Cb 0.55 -0.17 -0.00 0.00 -1.06 0.00 0.00 33.84 33.15 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 0.30 -0.14 2.03 7.55 0.00 -1.26 -5.02 105.19 108.65 1wfs n GLY 101 Ca 0.25 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 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 -4.14 3.84 0.01 0.00 1.02 -1.26 -4.97 119.74 114.24 1wfs s LYS 103 Ca 0.37 0.36 0.14 0.00 0.02 0.00 0.00 55.97 56.86 1wfs s LYS 103 Cb -0.02 -2.60 0.61 0.00 -0.52 0.00 0.00 37.83 35.31 1wfs s LYS 103 CO 0.25 0.28 1.46 -0.35 -0.92 0.00 0.00 175.35 176.07 1wfs n PRO 104 N -0.21 0.00 0.08 -1.68 -0.04 -1.26 -2.47 135.00 129.43 1wfs n PRO 104 Ca 0.01 0.26 -0.06 0.00 -0.04 0.00 0.00 63.50 63.67 1wfs n PRO 104 Cb 0.53 -1.51 -0.06 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.02 0.00 0.54 4.39 -2.01 -3.29 114.58 114.22 1wfs h GLU 105 Ca 0.00 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 1wfs h GLU 105 Cb 0.25 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1wfs h GLU 105 CO 0.00 0.92 -0.77 1.04 -1.16 0.00 0.00 179.01 179.04 1wfs n GLN 106 N -3.46 0.49 -0.39 2.33 1.13 -1.03 -3.90 117.38 112.54 1wfs n GLN 106 Ca -0.01 0.45 0.33 0.00 -1.94 0.00 0.00 57.00 55.84 1wfs n GLN 106 Cb 0.87 -1.64 0.56 0.00 0.11 0.00 0.00 30.24 30.14 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 -4.55 -0.03 -0.05 -1.09 0.00 -1.03 0.24 117.38 110.87 1wfs n GLN 107 Ca -0.13 1.02 -0.14 0.00 -0.00 0.00 0.00 57.00 57.74 1wfs n GLN 107 Cb 0.39 -2.02 -0.08 0.00 0.00 0.00 0.00 30.24 28.53 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 0.45 -1.18 3.69 2.86 -1.74 -0.14 114.93 118.85 1wfs h MET 108 Ca 0.72 -0.30 0.34 0.00 -2.06 0.00 0.00 59.70 58.40 1wfs h MET 108 Cb 2.34 0.04 -0.10 0.00 0.06 0.00 0.00 31.60 33.95 1wfs h MET 108 CO -0.37 0.92 0.78 0.52 1.06 0.00 0.00 176.91 179.82 1wfs h MET 109 N 0.04 0.22 0.05 1.72 2.86 0.29 0.34 114.93 120.45 1wfs h MET 109 Ca -0.00 -0.01 -0.35 0.00 -2.06 0.00 0.00 59.70 57.28 1wfs h MET 109 Cb 0.92 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.49 1wfs h MET 109 CO 0.07 0.14 -2.06 0.66 1.06 0.00 0.00 176.91 176.78 1wfs n TYR 110 N -4.57 0.77 0.25 -0.22 4.02 -1.11 -3.20 117.16 113.10 1wfs n TYR 110 Ca 0.30 0.21 0.08 0.00 -0.01 0.00 0.00 57.90 58.48 1wfs n TYR 110 Cb 1.15 -1.12 0.62 0.00 -0.02 0.00 0.00 39.34 39.97 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 0.47 1.74 0.06 -0.72 0.00 0.10 0.72 119.26 121.63 1wfs h ALA 111 Ca -0.43 -0.09 -0.33 0.00 0.00 0.00 0.00 54.91 54.07 1wfs h ALA 111 Cb 2.04 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.78 1wfs h ALA 111 CO 0.04 0.12 -1.83 0.41 0.00 0.00 0.00 179.25 177.99 1wfs n GLY 112 N -1.19 -0.79 0.40 0.00 0.00 0.98 -4.02 105.19 100.56 1wfs n GLY 112 Ca -0.03 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.26 1.36 0.09 1.61 7.64 -1.06 -4.39 113.62 115.62 1wfs n SER 113 Ca -0.24 -1.26 -0.05 0.00 1.01 0.00 0.00 58.87 58.33 1wfs n SER 113 Cb 1.05 0.07 -0.03 0.00 -1.01 0.00 0.00 64.21 64.29 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 1.95 -0.29 -1.01 1.43 3.64 0.33 0.14 116.57 122.76 1wfs h LYS 114 Ca 0.00 0.02 0.24 0.00 -1.27 0.00 0.00 60.65 59.64 1wfs h LYS 114 Cb 0.53 0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 32.31 1wfs h LYS 114 CO 0.00 -0.19 0.63 -0.91 -2.27 0.00 0.00 179.45 176.71 1wfs h ASN 115 N -0.30 0.58 -0.18 4.20 2.35 -1.82 0.23 115.58 120.64 1wfs h ASN 115 Ca -0.02 0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1wfs h ASN 115 Cb 0.25 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1wfs h ASN 115 CO -0.00 0.14 0.07 -0.09 -1.65 0.00 0.00 177.43 175.91 1wfs h ARG 116 N 0.53 0.27 -0.04 0.81 9.65 -1.70 0.13 114.38 124.04 1wfs h ARG 116 Ca 0.59 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 59.42 1wfs h ARG 116 Cb 1.26 -0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 29.80 1wfs h ARG 116 CO -0.35 0.34 -0.01 1.25 2.80 0.00 0.00 179.97 184.00 1wfs h LEU 117 N 0.14 0.08 0.29 3.80 7.12 0.13 -2.78 115.31 124.10 1wfs h LEU 117 Ca 0.06 -0.36 -0.00 0.00 0.13 0.00 0.00 57.88 57.71 1wfs h LEU 117 Cb 0.17 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.27 1wfs h LEU 117 CO -0.01 0.42 -0.22 0.58 -0.13 0.00 0.00 178.44 179.08 1wfs h VAL 118 N -0.27 0.53 -1.02 1.05 2.07 -0.64 -2.15 116.25 115.82 1wfs h VAL 118 Ca 0.01 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.78 1wfs h VAL 118 Cb 0.39 0.53 -0.09 0.00 -1.52 0.00 0.00 31.29 30.59 1wfs h VAL 118 CO 0.00 0.00 0.66 1.56 0.02 0.00 0.00 177.57 179.81 1wfs h GLN 119 N -0.51 0.41 -0.42 1.57 4.20 -0.78 0.15 115.11 119.72 1wfs h GLN 119 Ca -0.02 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 1wfs h GLN 119 Cb 0.45 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 1wfs h GLN 119 CO -0.01 0.27 0.06 1.15 -0.67 0.00 0.00 178.83 179.63 1wfs h THR 120 N 0.42 1.25 0.00 -0.54 2.02 -1.10 -2.69 112.91 112.27 1wfs h THR 120 Ca 0.58 -0.90 -0.05 0.00 0.77 0.00 0.00 66.41 66.81 1wfs h THR 120 Cb 1.42 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.84 1wfs h THR 120 CO -0.29 0.31 -0.23 0.00 0.37 0.00 0.00 175.52 175.68 1wfs h ALA 121 N 0.93 1.06 -1.53 6.16 0.00 -0.34 -3.46 119.26 122.07 1wfs h ALA 121 Ca 0.13 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1wfs h ALA 121 Cb 0.39 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.16 1wfs h ALA 121 CO 0.01 0.29 -0.15 -1.91 0.00 0.00 0.00 179.25 177.49 1wfs n GLU 122 N -3.46 -1.26 -2.97 0.00 2.13 -0.18 -4.76 120.64 110.14 1wfs n GLU 122 Ca -0.00 0.22 -0.44 0.00 0.66 0.00 0.00 57.16 57.60 1wfs n GLU 122 Cb 0.41 -3.63 -0.04 0.00 0.27 0.00 0.00 31.44 28.45 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 -2.05 4.92 0.66 4.31 1.43 -1.22 -4.88 118.68 121.84 1wfs s LEU 123 Ca 0.08 -1.36 0.41 0.00 -1.03 0.00 0.00 54.13 52.23 1wfs s LEU 123 Cb -0.04 -2.37 2.27 0.00 0.03 0.00 0.00 46.19 46.09 1wfs s LEU 123 CO 0.10 -1.24 2.32 0.00 0.23 0.00 0.00 176.35 177.75 1wfs h THR 124 N 5.90 0.09 -3.73 5.49 1.03 -1.93 -3.38 112.91 116.38 1wfs h THR 124 Ca -0.22 0.00 -0.67 0.00 -0.01 0.00 0.00 66.41 65.51 1wfs h THR 124 Cb 1.07 0.97 -0.19 0.00 -1.07 0.00 0.00 68.15 68.93 1wfs h THR 124 CO 1.13 0.00 -0.48 -0.54 -0.01 0.00 0.00 175.52 175.62 1wfs s LYS 125 N -4.23 3.52 -0.24 0.00 1.02 -1.26 -5.05 119.74 113.50 1wfs s LYS 125 Ca -0.05 -0.62 0.01 0.00 0.02 0.00 0.00 55.97 55.33 1wfs s LYS 125 Cb 0.13 -3.79 0.06 0.00 -0.52 0.00 0.00 37.83 33.71 1wfs s LYS 125 CO 0.42 -0.42 -0.06 0.08 -0.92 0.00 0.00 175.35 174.44 1wfs s VAL 126 N 1.72 1.68 -0.27 3.17 1.01 -1.26 -1.74 120.40 124.72 1wfs s VAL 126 Ca 0.06 -1.33 -0.03 0.00 0.00 0.00 0.00 61.98 60.68 1wfs s VAL 126 Cb -0.17 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.32 1wfs s VAL 126 CO 0.10 -0.09 -0.01 -0.36 0.00 0.00 0.00 175.10 174.74 1wfs s PHE 127 N 1.32 3.12 -0.38 5.22 0.08 -0.14 -4.96 117.98 122.24 1wfs s PHE 127 Ca -0.06 -1.42 -0.17 0.00 0.12 0.00 0.00 56.93 55.40 1wfs s PHE 127 Cb -0.19 -2.13 0.01 0.00 -0.57 0.00 0.00 43.02 40.14 1wfs s PHE 127 CO -0.06 -0.69 0.46 -2.00 -0.10 0.00 0.00 175.22 172.82 1wfs s GLU 128 N 1.37 3.39 -0.14 0.44 -6.30 -1.26 -1.96 118.70 114.24 1wfs s GLU 128 Ca 0.00 -0.46 -0.13 0.00 -2.50 0.00 0.00 54.97 51.89 1wfs s GLU 128 Cb -0.17 -3.87 -0.05 0.00 0.00 0.00 0.00 34.13 30.04 1wfs s GLU 128 CO -0.02 -0.71 0.27 0.96 0.02 0.00 0.00 175.26 175.78 1wfs s ILE 129 N 2.24 5.31 -0.51 -3.70 -4.36 -0.96 -4.95 121.20 114.27 1wfs s ILE 129 Ca 0.15 0.50 0.26 0.00 -0.26 0.00 0.00 60.65 61.30 1wfs s ILE 129 Cb -0.16 -3.60 0.31 0.00 1.25 0.00 0.00 42.46 40.27 1wfs s ILE 129 CO 0.13 0.45 1.73 -0.09 0.24 0.00 0.00 174.94 177.40 1wfs h ARG 130 N 6.22 0.00 -2.70 0.37 9.65 -1.83 -2.93 114.38 123.15 1wfs h ARG 130 Ca -0.44 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.43 1wfs h ARG 130 Cb 1.18 0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 29.62 1wfs h ARG 130 CO 0.72 0.00 0.25 -0.08 2.80 0.00 0.00 179.97 183.66 1wfs s THR 131 N -3.23 0.00 0.17 0.20 -1.32 -1.26 -3.81 115.64 106.39 1wfs s THR 131 Ca 0.08 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.44 1wfs s THR 131 Cb 0.09 -1.00 0.06 0.00 -1.51 0.00 0.00 72.50 70.14 1wfs s THR 131 CO 0.59 0.00 1.70 0.71 -2.21 0.00 0.00 174.62 175.42 1wfs h THR 132 N 2.18 1.24 -1.46 5.08 1.35 -1.89 -2.69 112.91 116.71 1wfs h THR 132 Ca -0.31 -0.79 0.46 0.00 -0.55 0.00 0.00 66.41 65.21 1wfs h THR 132 Cb 1.27 0.66 -0.11 0.00 -1.73 0.00 0.00 68.15 68.25 1wfs h THR 132 CO 0.37 0.30 0.99 0.44 -0.25 0.00 0.00 175.52 177.37 1wfs h ASP 133 N 0.81 0.17 -0.36 5.36 3.32 -1.97 0.80 116.42 124.55 1wfs h ASP 133 Ca 0.19 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.30 1wfs h ASP 133 Cb 0.27 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1wfs h ASP 133 CO -0.01 -0.11 0.11 -0.78 -1.72 0.00 0.00 179.24 176.73 1wfs h ASP 134 N 0.06 0.52 -0.39 6.45 3.58 -1.91 -3.39 116.42 121.35 1wfs h ASP 134 Ca 0.82 -0.20 -0.06 0.00 0.42 0.00 0.00 57.03 58.00 1wfs h ASP 134 Cb 2.81 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 43.72 1wfs h ASP 134 CO -0.28 0.59 0.29 -0.11 -2.88 0.00 0.00 179.24 176.85 1wfs n LEU 135 N -4.64 1.56 -4.15 2.28 7.94 0.28 -4.56 117.00 115.72 1wfs n LEU 135 Ca -0.01 -1.35 -0.15 0.00 -1.11 0.00 0.00 56.01 53.40 1wfs n LEU 135 Cb 0.17 -1.56 -0.11 0.00 0.53 0.00 0.00 43.42 42.45 1wfs n LEU 135 CO 0.37 -2.47 -0.42 0.42 -1.11 0.00 0.00 177.39 174.19 1wfs s THR 136 N 13.47 0.87 0.42 1.96 -4.23 -1.26 -4.65 115.64 122.22 1wfs s THR 136 Ca 0.97 -1.46 0.26 0.00 -1.18 0.00 0.00 61.69 60.28 1wfs s THR 136 Cb -0.20 -1.14 0.44 0.00 1.34 0.00 0.00 72.50 72.94 1wfs s THR 136 CO 0.14 -0.47 1.64 -0.08 -0.54 0.00 0.00 174.62 175.31 1wfs h GLU 137 N 3.89 0.14 0.00 3.99 4.81 -1.90 0.19 114.58 125.71 1wfs h GLU 137 Ca -0.38 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1wfs h GLU 137 Cb 1.19 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1wfs h GLU 137 CO 0.48 0.09 -0.00 1.15 -0.73 0.00 0.00 179.01 180.00 1wfs h THR 138 N 0.14 0.00 -0.69 0.32 2.02 -1.95 -2.22 112.91 110.53 1wfs h THR 138 Ca 0.78 -0.37 0.20 0.00 0.77 0.00 0.00 66.41 67.80 1wfs h THR 138 Cb 2.31 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 68.69 1wfs h THR 138 CO -0.45 0.00 0.97 -0.25 0.37 0.00 0.00 175.52 176.15 1wfs h TRP 139 N -0.37 0.00 0.00 3.16 7.01 -1.66 0.38 115.95 124.47 1wfs h TRP 139 Ca -0.00 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 1wfs h TRP 139 Cb 0.00 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.06 1wfs h TRP 139 CO 0.00 0.00 -0.30 1.25 -2.79 0.00 0.00 178.44 176.60 1wfs h LEU 140 N 0.00 0.00 -2.26 0.65 7.12 -0.74 -3.28 115.31 116.81 1wfs h LEU 140 Ca 0.33 -0.07 0.05 0.00 0.13 0.00 0.00 57.88 58.31 1wfs h LEU 140 Cb 2.25 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 42.38 1wfs h LEU 140 CO -0.00 0.69 0.18 0.11 -0.13 0.00 0.00 178.44 179.28 1wfs h LYS 141 N -1.00 0.00 -0.42 1.25 1.57 -0.34 -0.91 116.57 116.72 1wfs h LYS 141 Ca -0.02 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 1wfs h LYS 141 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1wfs h LYS 141 CO -0.01 0.00 -0.21 0.93 -0.57 0.00 0.00 179.45 179.59 1wfs h GLU 142 N 0.00 0.87 -0.38 3.15 5.08 -0.49 -0.03 114.58 122.78 1wfs h GLU 142 Ca 0.07 -0.38 -0.11 0.00 -1.00 0.00 0.00 59.36 57.94 1wfs h GLU 142 Cb 0.43 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1wfs h GLU 142 CO -0.00 1.03 -0.21 0.87 -1.00 0.00 0.00 179.01 179.70 1wfs h LYS 143 N 0.69 0.75 0.06 2.33 1.79 -1.23 -3.13 116.57 117.83 1wfs h LYS 143 Ca 0.09 -0.29 -0.00 0.00 -2.18 0.00 0.00 60.65 58.26 1wfs h LYS 143 Cb 0.77 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 1wfs h LYS 143 CO 0.06 0.90 -0.03 -0.07 -1.08 0.00 0.00 179.45 179.23 1wfs h LEU 144 N 0.66 -0.07 -0.22 2.94 3.38 -1.39 -3.12 115.31 117.49 1wfs h LEU 144 Ca 0.09 -0.51 0.02 0.00 0.09 0.00 0.00 57.88 57.57 1wfs h LEU 144 Cb 0.71 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1wfs h LEU 144 CO 0.05 0.51 -0.14 0.00 0.09 0.00 0.00 178.44 178.95 1wfs h ALA 145 N 0.18 -0.17 0.00 1.53 0.00 -1.02 -3.42 119.26 116.36 1wfs h ALA 145 Ca -0.01 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1wfs h ALA 145 Cb 0.58 1.05 -0.13 0.00 0.00 0.00 0.00 17.79 19.29 1wfs h ALA 145 CO 0.01 -0.27 -0.02 0.45 0.00 0.00 0.00 179.25 179.43 1wfs n SER 146 N -3.51 -1.23 -1.26 0.00 2.88 -1.19 -5.11 113.62 104.19 1wfs n SER 146 Ca 0.00 -1.73 0.16 0.00 -1.33 0.00 0.00 58.87 55.97 1wfs n SER 146 Cb 0.07 0.70 -0.05 0.00 -0.75 0.00 0.00 64.21 64.18 1wfs n SER 146 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfs n GLY 147 N 1.44 -1.98 3.58 0.46 0.00 -1.18 -4.51 105.19 103.00 1wfs n GLY 147 Ca 0.01 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 1wfs n GLY 147 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wfs s PRO 148 N -2.88 3.11 0.42 1.61 0.04 -1.26 -4.60 135.00 131.44 1wfs s PRO 148 Ca 0.00 1.05 -0.05 0.00 0.04 0.00 0.00 61.00 62.04 1wfs s PRO 148 Cb 0.00 -4.24 -0.04 0.00 0.04 0.00 0.00 34.50 30.26 1wfs s PRO 148 CO 0.00 -2.13 0.71 0.45 0.04 0.00 0.00 177.00 176.07 1wfs s SER 149 N 6.48 6.32 0.05 6.66 0.15 -1.26 -4.98 113.70 127.12 1wfs s SER 149 Ca 0.72 0.84 -0.35 0.00 0.70 0.00 0.00 55.95 57.85 1wfs s SER 149 Cb -0.17 -2.20 -0.18 0.00 -1.71 0.00 0.00 66.02 61.75 1wfs s SER 149 CO 0.29 -0.46 0.89 -1.20 1.20 0.00 0.00 173.24 173.96 1wfs n SER 150 N -1.91 -0.32 0.00 5.45 7.64 -1.26 -5.21 113.62 118.01 1wfs n SER 150 Ca -0.01 1.10 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1wfs n SER 150 Cb 0.55 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 1wfs n SER 150 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64