#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfs s SER 2 N 0.00 4.26 -0.05 1.61 1.04 -1.26 -4.84 113.70 114.45 1wfs s SER 2 Ca 0.00 -0.28 -0.03 0.00 0.48 0.00 0.00 55.95 56.12 1wfs s SER 2 Cb 0.00 -1.67 0.00 0.00 0.10 0.00 0.00 66.02 64.45 1wfs s SER 2 CO 0.00 0.14 0.05 -1.54 0.98 0.00 0.00 173.24 172.87 1wfs n SER 3 N 3.70 -6.57 0.00 7.02 3.41 -1.26 -4.99 113.62 114.93 1wfs n SER 3 Ca -0.18 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1wfs n SER 3 Cb 0.52 -1.81 0.00 0.00 -0.26 0.00 0.00 64.21 62.67 1wfs n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wfs n GLY 4 N 1.14 1.89 1.41 5.00 0.00 -1.26 -5.17 105.19 108.20 1wfs n GLY 4 Ca -0.01 -0.51 0.17 0.00 0.00 0.00 0.00 46.02 45.68 1wfs n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wfs n SER 5 N 0.00 -8.03 -3.80 1.61 7.64 -1.26 -4.87 113.62 104.90 1wfs n SER 5 Ca 0.00 1.12 -0.29 0.00 1.01 0.00 0.00 58.87 60.71 1wfs n SER 5 Cb 0.00 -4.66 -0.16 0.00 -1.01 0.00 0.00 64.21 58.38 1wfs n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wfs s SER 6 N -7.06 3.26 0.18 6.43 0.01 -1.26 -5.11 113.70 110.16 1wfs s SER 6 Ca 0.00 -0.97 -0.19 0.00 1.31 0.00 0.00 55.95 56.10 1wfs s SER 6 Cb 0.00 -0.80 0.07 0.00 0.21 0.00 0.00 66.02 65.50 1wfs s SER 6 CO 0.00 -0.29 0.91 0.61 0.41 0.00 0.00 173.24 174.88 1wfs n GLY 7 N 4.92 0.71 3.68 3.44 0.00 -1.26 -5.13 105.19 111.54 1wfs n GLY 7 Ca -0.10 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 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 -3.16 7.04 -0.46 1.61 0.01 -1.26 -4.96 113.70 112.51 1wfs s SER 8 Ca 0.20 1.73 0.07 0.00 1.31 0.00 0.00 55.95 59.26 1wfs s SER 8 Cb -0.03 -2.55 0.19 0.00 0.21 0.00 0.00 66.02 63.84 1wfs s SER 8 CO 0.06 -0.63 0.68 1.51 0.41 0.00 0.00 173.24 175.27 1wfs s ASP 9 N 1.58 -1.48 -0.11 2.44 -4.77 -1.26 -5.14 116.67 107.93 1wfs s ASP 9 Ca 0.54 -1.23 -0.19 0.00 -3.30 0.00 0.00 52.55 48.37 1wfs s ASP 9 Cb -0.23 1.91 -0.04 0.00 -1.09 0.00 0.00 42.92 43.47 1wfs s ASP 9 CO 0.18 -0.11 0.53 -0.44 0.70 0.00 0.00 175.17 176.03 1wfs s SER 10 N 1.38 6.75 0.38 2.11 0.01 -1.26 -5.07 113.70 117.99 1wfs s SER 10 Ca 0.23 0.89 0.04 0.00 1.31 0.00 0.00 55.95 58.42 1wfs s SER 10 Cb -0.02 -2.31 -0.03 0.00 0.21 0.00 0.00 66.02 63.86 1wfs s SER 10 CO -0.06 -0.03 0.12 -0.76 0.41 0.00 0.00 173.24 172.92 1wfs s LEU 11 N 0.70 1.97 -0.46 2.44 1.43 -1.26 -5.04 118.68 118.45 1wfs s LEU 11 Ca 0.29 -1.61 -0.02 0.00 -1.03 0.00 0.00 54.13 51.75 1wfs s LEU 11 Cb -0.16 -0.09 0.23 0.00 0.03 0.00 0.00 46.19 46.20 1wfs s LEU 11 CO 0.12 -0.88 2.22 0.55 0.23 0.00 0.00 176.35 178.59 1wfs n VAL 12 N -0.82 3.15 -1.04 -1.59 3.14 -1.26 -5.00 118.33 114.90 1wfs n VAL 12 Ca -0.04 -2.44 -0.34 0.00 -2.96 0.00 0.00 64.34 58.55 1wfs n VAL 12 Cb 0.65 -1.36 -0.01 0.00 -1.06 0.00 0.00 33.84 32.07 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 0.16 0.73 -4.30 1.55 0.31 -1.26 -4.88 118.33 110.63 1wfs n VAL 13 Ca 0.43 -0.40 -0.13 0.00 -0.01 0.00 0.00 64.34 64.24 1wfs n VAL 13 Cb 0.56 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.46 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 -2.75 2.17 -0.74 0.00 -1.05 -1.19 -4.92 118.70 110.23 1wfs s GLU 15 Ca 0.01 -1.40 -0.22 0.00 -0.15 0.00 0.00 54.97 53.21 1wfs s GLU 15 Cb 0.00 -2.13 0.08 0.00 -0.44 0.00 0.00 34.13 31.64 1wfs s GLU 15 CO 0.01 0.38 1.05 0.54 0.95 0.00 0.00 175.26 178.19 1wfs s VAL 16 N -2.15 4.34 0.15 1.83 0.11 -1.26 -0.26 120.40 123.16 1wfs s VAL 16 Ca 0.29 -0.59 -0.18 0.00 -2.93 0.00 0.00 61.98 58.58 1wfs s VAL 16 Cb -0.07 -4.74 -0.11 0.00 -1.53 0.00 0.00 36.38 29.93 1wfs s VAL 16 CO 0.18 -1.53 0.30 -0.67 -3.33 0.00 0.00 175.10 170.06 1wfs n ASP 17 N 7.65 -0.98 -0.01 3.54 -0.08 -0.89 -4.63 116.55 121.14 1wfs n ASP 17 Ca 0.05 0.72 -0.08 0.00 -1.51 0.00 0.00 54.79 53.97 1wfs n ASP 17 Cb 0.47 -0.62 0.09 0.00 2.34 0.00 0.00 41.12 43.40 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 0.60 0.58 0.00 -0.67 0.13 -1.94 -0.70 132.00 130.00 1wfs h PRO 18 Ca -0.19 -0.30 -0.06 0.00 -0.87 0.00 0.00 66.00 64.57 1wfs h PRO 18 Cb 0.95 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 1wfs h PRO 18 CO 0.37 0.90 -0.28 1.05 -0.23 0.00 0.00 178.00 179.80 1wfs h GLU 19 N 0.48 0.00 0.06 0.86 -0.00 -1.95 -3.09 114.58 110.95 1wfs h GLU 19 Ca 0.04 0.00 -0.31 0.00 -0.00 0.00 0.00 59.36 59.08 1wfs h GLU 19 Cb 0.93 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.65 1wfs h GLU 19 CO 0.08 0.28 -1.74 1.25 -0.00 0.00 0.00 179.01 178.89 1wfs h LEU 20 N 0.00 0.21 -0.63 3.06 6.46 -1.83 -3.33 115.31 119.26 1wfs h LEU 20 Ca -0.00 -0.41 0.13 0.00 -0.12 0.00 0.00 57.88 57.47 1wfs h LEU 20 Cb 0.75 -0.07 -0.11 0.00 -0.73 0.00 0.00 40.66 40.51 1wfs h LEU 20 CO 0.04 1.37 -0.03 0.50 -0.62 0.00 0.00 178.44 179.69 1wfs h LYS 21 N 0.04 0.09 -0.32 1.25 3.64 -1.04 -0.90 116.57 119.32 1wfs h LYS 21 Ca -0.31 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.04 1wfs h LYS 21 Cb 2.01 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.80 1wfs h LYS 21 CO 0.10 0.06 0.11 0.93 -2.27 0.00 0.00 179.45 178.38 1wfs h GLU 22 N 0.09 0.49 -0.95 1.90 5.08 -1.72 -2.70 114.58 116.78 1wfs h GLU 22 Ca 0.32 -0.10 0.29 0.00 -1.00 0.00 0.00 59.36 58.87 1wfs h GLU 22 Cb 0.52 -0.07 -0.15 0.00 0.50 0.00 0.00 28.75 29.55 1wfs h GLU 22 CO -0.56 0.52 0.38 1.15 -1.00 0.00 0.00 179.01 179.51 1wfs h THR 23 N 0.36 0.26 0.28 1.13 2.02 -1.28 -0.75 112.91 114.93 1wfs h THR 23 Ca 0.10 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 1wfs h THR 23 Cb 0.23 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1wfs h THR 23 CO -0.01 0.04 -0.13 -0.07 0.37 0.00 0.00 175.52 175.72 1wfs h LEU 24 N 0.23 -0.32 -1.69 2.58 3.38 -1.25 0.64 115.31 118.88 1wfs h LEU 24 Ca 0.66 -0.20 0.31 0.00 0.09 0.00 0.00 57.88 58.74 1wfs h LEU 24 Cb 1.44 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 42.23 1wfs h LEU 24 CO -0.66 0.16 0.97 -0.09 0.09 0.00 0.00 178.44 178.90 1wfs h ARG 25 N -0.93 0.00 0.03 1.13 2.43 -0.89 0.13 114.38 116.28 1wfs h ARG 25 Ca -0.04 0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 58.83 1wfs h ARG 25 Cb 0.50 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.02 1wfs h ARG 25 CO 0.06 0.00 -1.66 1.63 -1.51 0.00 0.00 179.97 178.49 1wfs n LYS 26 N -3.72 0.62 0.26 0.20 5.02 -0.42 -3.83 118.16 116.30 1wfs n LYS 26 Ca 0.24 0.44 0.16 0.00 -2.02 0.00 0.00 58.31 57.12 1wfs n LYS 26 Cb 1.32 -1.70 0.74 0.00 -0.02 0.00 0.00 35.03 35.37 1wfs n LYS 26 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1wfs h PHE 27 N -0.67 0.00 0.00 2.13 3.57 0.16 0.86 116.94 123.00 1wfs h PHE 27 Ca -0.42 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 60.86 1wfs h PHE 27 Cb 1.57 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 40.27 1wfs h PHE 27 CO 0.07 0.00 -1.29 0.00 -2.23 0.00 0.00 178.31 174.86 1wfs h ARG 28 N 0.00 0.00 -0.50 1.11 3.08 -1.38 -3.36 114.38 113.33 1wfs h ARG 28 Ca 0.06 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.75 1wfs h ARG 28 Cb 0.91 0.00 -0.35 0.00 0.08 0.00 0.00 29.97 30.62 1wfs h ARG 28 CO -0.00 0.59 -0.85 1.19 -1.07 0.00 0.00 179.97 179.83 1wfs n PHE 29 N -3.12 1.75 -2.08 3.04 3.72 0.21 -5.05 117.46 115.92 1wfs n PHE 29 Ca -0.08 -1.96 -0.13 0.00 -0.05 0.00 0.00 57.45 55.24 1wfs n PHE 29 Cb 0.93 -0.29 0.07 0.00 -0.94 0.00 0.00 39.48 39.26 1wfs n PHE 29 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1wfs n ARG 30 N -0.66 -0.06 0.00 -1.08 1.85 0.24 -4.92 116.66 112.03 1wfs n ARG 30 Ca 0.29 -1.23 0.02 0.00 -1.00 0.00 0.00 57.85 55.92 1wfs n ARG 30 Cb 0.90 -0.45 0.08 0.00 -1.05 0.00 0.00 32.46 31.93 1wfs n ARG 30 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1wfs n LYS 31 N -2.08 0.02 0.00 2.89 5.02 -1.26 -4.85 118.16 117.89 1wfs n LYS 31 Ca 0.08 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 1wfs n LYS 31 Cb 0.29 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 1wfs n LYS 31 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1wfs n GLU 32 N -1.43 0.00 -1.08 1.97 4.71 -1.26 -4.64 120.64 118.90 1wfs n GLU 32 Ca 0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 57.16 57.08 1wfs n GLU 32 Cb 0.04 0.00 -0.03 0.00 -1.01 0.00 0.00 31.44 30.43 1wfs n GLU 32 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1wfs n THR 33 N 0.00 0.00 -3.66 2.62 -2.24 -1.26 -4.85 114.28 104.89 1wfs n THR 33 Ca 0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 1wfs n THR 33 Cb 0.00 -0.96 -0.07 0.00 -2.10 0.00 0.00 70.33 67.19 1wfs n THR 33 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wfs s ASN 34 N -1.73 -0.58 -0.08 3.42 4.22 -1.26 -5.11 114.94 113.81 1wfs s ASN 34 Ca 0.00 1.21 -0.30 0.00 -2.14 0.00 0.00 52.86 51.63 1wfs s ASN 34 Cb 0.00 1.70 -0.08 0.00 1.28 0.00 0.00 41.25 44.15 1wfs s ASN 34 CO 0.00 -0.23 2.06 0.59 -2.04 0.00 0.00 177.10 177.48 1wfs n ASN 35 N 5.40 3.71 -4.22 3.54 3.02 -1.26 -4.61 115.26 120.84 1wfs n ASN 35 Ca -0.10 0.65 -0.13 0.00 -0.03 0.00 0.00 54.58 54.97 1wfs n ASN 35 Cb 0.49 -1.51 -0.10 0.00 -0.61 0.00 0.00 39.78 38.05 1wfs n ASN 35 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wfs s ALA 36 N 5.88 1.25 -0.00 5.41 0.00 -1.21 0.23 121.76 133.31 1wfs s ALA 36 Ca 0.94 -1.55 -0.02 0.00 0.00 0.00 0.00 51.96 51.34 1wfs s ALA 36 Cb -0.44 0.55 -0.00 0.00 0.00 0.00 0.00 23.12 23.22 1wfs s ALA 36 CO 0.41 -0.33 0.03 0.00 0.00 0.00 0.00 175.76 175.87 1wfs s ALA 37 N -3.71 -0.06 -0.31 0.00 0.00 0.71 -0.94 121.76 117.46 1wfs s ALA 37 Ca 0.23 -0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.11 1wfs s ALA 37 Cb 0.06 0.01 0.09 0.00 0.00 0.00 0.00 23.12 23.28 1wfs s ALA 37 CO 0.03 -0.08 0.02 0.42 0.00 0.00 0.00 175.76 176.16 1wfs s ILE 38 N -0.51 1.89 -0.37 0.00 1.01 -0.83 -1.51 121.20 120.89 1wfs s ILE 38 Ca -0.06 -1.91 -0.24 0.00 0.00 0.00 0.00 60.65 58.44 1wfs s ILE 38 Cb -0.04 -2.31 0.01 0.00 0.01 0.00 0.00 42.46 40.13 1wfs s ILE 38 CO -0.00 -0.46 0.82 -0.63 0.00 0.00 0.00 174.94 174.66 1wfs s ILE 39 N 1.13 4.69 0.14 2.92 1.01 -0.42 -1.74 121.20 128.94 1wfs s ILE 39 Ca 0.06 0.93 0.07 0.00 0.00 0.00 0.00 60.65 61.70 1wfs s ILE 39 Cb -0.19 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.00 1wfs s ILE 39 CO -0.11 -0.47 -0.03 -0.04 0.00 0.00 0.00 174.94 174.29 1wfs s MET 40 N 3.20 2.34 0.33 2.79 -1.94 0.77 0.24 119.30 127.03 1wfs s MET 40 Ca 0.33 -1.05 0.04 0.00 -1.71 0.00 0.00 55.69 53.30 1wfs s MET 40 Cb -0.13 -2.37 -0.04 0.00 2.01 0.00 0.00 34.83 34.31 1wfs s MET 40 CO 0.18 0.48 0.16 -1.59 -0.01 0.00 0.00 175.02 174.24 1wfs s LYS 41 N -2.64 1.67 -0.17 2.03 -2.85 0.08 -1.00 119.74 116.87 1wfs s LYS 41 Ca 0.25 -1.97 0.01 0.00 -1.00 0.00 0.00 55.97 53.26 1wfs s LYS 41 Cb -0.10 -0.19 0.03 0.00 -2.06 0.00 0.00 37.83 35.50 1wfs s LYS 41 CO 0.17 -0.46 -0.15 0.54 0.10 0.00 0.00 175.35 175.55 1wfs s VAL 42 N -3.50 1.70 -0.13 1.79 0.11 -1.26 0.10 120.40 119.21 1wfs s VAL 42 Ca 0.34 -0.78 -0.29 0.00 -2.93 0.00 0.00 61.98 58.31 1wfs s VAL 42 Cb 0.04 -1.62 -0.01 0.00 -1.53 0.00 0.00 36.38 33.27 1wfs s VAL 42 CO 0.18 0.41 1.05 -1.81 -3.33 0.00 0.00 175.10 171.60 1wfs s ASP 43 N 1.42 7.18 0.54 3.54 1.11 -0.62 -4.87 116.67 124.97 1wfs s ASP 43 Ca 0.04 1.54 0.32 0.00 0.18 0.00 0.00 52.55 54.63 1wfs s ASP 43 Cb -0.14 -2.55 1.34 0.00 1.07 0.00 0.00 42.92 42.64 1wfs s ASP 43 CO -0.11 -0.52 1.98 0.50 1.18 0.00 0.00 175.17 178.20 1wfs h LYS 44 N 7.26 0.00 0.00 8.23 3.11 -1.96 1.42 116.57 134.62 1wfs h LYS 44 Ca -0.29 0.00 -0.13 0.00 -2.81 0.00 0.00 60.65 57.42 1wfs h LYS 44 Cb 1.13 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.34 1wfs h LYS 44 CO 0.89 0.03 -0.64 0.22 -2.81 0.00 0.00 179.45 177.14 1wfs h ASP 45 N 0.00 0.00 0.00 4.20 1.82 -1.98 -3.29 116.42 117.17 1wfs h ASP 45 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1wfs h ASP 45 Cb 0.53 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.54 1wfs h ASP 45 CO 0.00 0.64 0.00 0.54 -1.61 0.00 0.00 179.24 178.82 1wfs n ARG 46 N -3.35 0.59 -3.96 0.28 1.74 -0.98 -5.01 116.66 105.97 1wfs n ARG 46 Ca 0.01 -0.89 -0.29 0.00 -0.77 0.00 0.00 57.85 55.91 1wfs n ARG 46 Cb 0.75 -0.99 -0.04 0.00 -1.02 0.00 0.00 32.46 31.16 1wfs n ARG 46 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1wfs n GLN 47 N -0.20 -0.74 -3.84 5.56 1.13 0.48 -4.91 117.38 114.87 1wfs n GLN 47 Ca 0.00 0.02 -0.12 0.00 -1.94 0.00 0.00 57.00 54.96 1wfs n GLN 47 Cb 0.10 -2.39 -0.09 0.00 0.11 0.00 0.00 30.24 27.98 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 -6.64 0.58 -0.55 -1.09 0.23 -1.14 -3.15 119.30 107.54 1wfs s MET 48 Ca 0.15 -0.39 -0.27 0.00 -1.03 0.00 0.00 55.69 54.15 1wfs s MET 48 Cb -0.08 0.25 0.03 0.00 -1.53 0.00 0.00 34.83 33.50 1wfs s MET 48 CO 0.78 -0.15 1.07 0.08 -2.03 0.00 0.00 175.02 174.77 1wfs s VAL 49 N -1.62 4.21 -0.03 5.16 1.01 0.64 -1.59 120.40 128.17 1wfs s VAL 49 Ca -0.12 0.69 0.06 0.00 0.00 0.00 0.00 61.98 62.61 1wfs s VAL 49 Cb -0.06 -4.62 -0.02 0.00 0.00 0.00 0.00 36.38 31.68 1wfs s VAL 49 CO 0.01 -1.18 -0.20 0.68 0.00 0.00 0.00 175.10 174.41 1wfs s VAL 50 N 4.44 2.56 0.30 2.92 -7.23 0.29 -2.10 120.40 121.58 1wfs s VAL 50 Ca 0.38 -0.92 -0.27 0.00 -1.81 0.00 0.00 61.98 59.36 1wfs s VAL 50 Cb -0.09 -1.95 -0.14 0.00 0.56 0.00 0.00 36.38 34.75 1wfs s VAL 50 CO 0.24 0.58 0.95 -0.11 -0.31 0.00 0.00 175.10 176.46 1wfs n LEU 51 N 2.37 1.57 -0.08 1.32 0.00 -1.26 -0.74 117.00 120.17 1wfs n LEU 51 Ca -0.17 1.15 -0.15 0.00 0.00 0.00 0.00 56.01 56.85 1wfs n LEU 51 Cb 0.52 -1.26 -0.07 0.00 0.00 0.00 0.00 43.42 42.60 1wfs n LEU 51 CO 0.24 -1.58 -1.06 1.21 0.00 0.00 0.00 177.39 176.20 1wfs n GLU 52 N 0.69 0.39 -3.72 1.96 4.07 0.14 -4.64 120.64 119.52 1wfs n GLU 52 Ca 0.10 0.13 -0.09 0.00 -0.06 0.00 0.00 57.16 57.23 1wfs n GLU 52 Cb 0.32 -1.22 -0.03 0.00 -0.06 0.00 0.00 31.44 30.45 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 -6.04 -0.33 -0.22 4.31 1.01 1.00 -5.00 116.67 111.40 1wfs s ASP 53 Ca -0.23 -0.43 -0.04 0.00 0.71 0.00 0.00 52.55 52.56 1wfs s ASP 53 Cb 0.07 0.64 0.11 0.00 1.01 0.00 0.00 42.92 44.75 1wfs s ASP 53 CO 0.34 -1.14 0.31 -1.61 0.21 0.00 0.00 175.17 173.28 1wfs s GLU 54 N -3.87 0.27 -0.14 8.23 2.02 -1.26 -1.30 118.70 122.65 1wfs s GLU 54 Ca 0.08 0.44 0.00 0.00 0.02 0.00 0.00 54.97 55.52 1wfs s GLU 54 Cb -0.03 -0.69 -0.01 0.00 0.10 0.00 0.00 34.13 33.50 1wfs s GLU 54 CO -0.01 -0.60 -0.15 -0.51 0.02 0.00 0.00 175.26 174.00 1wfs s LEU 55 N 2.45 2.56 0.30 1.80 1.43 -0.57 -5.01 118.68 121.65 1wfs s LEU 55 Ca 0.09 -0.41 0.08 0.00 -1.03 0.00 0.00 54.13 52.86 1wfs s LEU 55 Cb -0.15 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 1wfs s LEU 55 CO -0.14 0.13 0.20 -1.10 0.23 0.00 0.00 176.35 175.67 1wfs s GLN 56 N 0.57 2.67 -1.41 1.70 1.11 -1.26 -0.20 119.66 122.83 1wfs s GLN 56 Ca -0.09 -1.28 -0.02 0.00 0.01 0.00 0.00 55.36 53.98 1wfs s GLN 56 Cb -0.16 -2.41 0.01 0.00 -1.01 0.00 0.00 33.01 29.45 1wfs s GLN 56 CO 0.04 0.22 0.51 0.09 0.01 0.00 0.00 175.29 176.15 1wfs n ASN 57 N -1.22 -0.79 -4.28 5.90 3.02 0.12 -4.91 115.26 113.11 1wfs n ASN 57 Ca -0.04 -0.97 -0.29 0.00 -0.03 0.00 0.00 54.58 53.25 1wfs n ASN 57 Cb 0.59 -3.24 -0.16 0.00 -0.61 0.00 0.00 39.78 36.37 1wfs n ASN 57 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1wfs s ILE 58 N -3.85 1.89 0.73 2.41 -1.16 0.14 -4.96 121.20 116.40 1wfs s ILE 58 Ca 0.07 -1.05 -0.08 0.00 -0.51 0.00 0.00 60.65 59.08 1wfs s ILE 58 Cb -0.04 -1.57 0.06 0.00 0.61 0.00 0.00 42.46 41.52 1wfs s ILE 58 CO 0.88 0.51 1.06 -0.44 -2.81 0.00 0.00 174.94 174.14 1wfs s SER 59 N -0.63 4.79 0.00 4.50 0.01 -1.26 -4.40 113.70 116.70 1wfs s SER 59 Ca 0.09 0.60 0.12 0.00 1.31 0.00 0.00 55.95 58.07 1wfs s SER 59 Cb -0.09 -1.23 0.69 0.00 0.21 0.00 0.00 66.02 65.60 1wfs s SER 59 CO -0.01 -1.65 1.13 -0.81 0.41 0.00 0.00 173.24 172.31 1wfs n PRO 60 N -3.03 0.49 -0.08 12.44 -0.04 -1.26 -2.26 135.00 141.26 1wfs n PRO 60 Ca 0.08 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.47 1wfs n PRO 60 Cb 0.60 -1.37 -0.14 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.87 1.04 0.06 0.54 1.02 -1.26 -4.14 120.64 117.03 1wfs n GLU 61 Ca 0.09 -0.02 -0.20 0.00 -0.02 0.00 0.00 57.16 57.00 1wfs n GLU 61 Cb 0.04 -1.46 -0.14 0.00 -0.02 0.00 0.00 31.44 29.86 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 0.36 -0.31 3.49 4.39 -1.83 -3.26 114.58 117.43 1wfs h GLU 62 Ca -0.44 -0.57 0.07 0.00 0.34 0.00 0.00 59.36 58.76 1wfs h GLU 62 Cb 1.99 0.21 -0.08 0.00 -0.10 0.00 0.00 28.75 30.77 1wfs h GLU 62 CO 0.02 1.26 -0.25 1.25 -1.16 0.00 0.00 179.01 180.13 1wfs h LEU 63 N -0.23 -0.82 -1.46 1.33 6.46 -1.77 0.10 115.31 118.92 1wfs h LEU 63 Ca -0.15 0.15 0.13 0.00 -0.12 0.00 0.00 57.88 57.90 1wfs h LEU 63 Cb 1.68 0.40 -0.06 0.00 -0.73 0.00 0.00 40.66 41.95 1wfs h LEU 63 CO 0.17 -0.28 0.52 0.50 -0.62 0.00 0.00 178.44 178.73 1wfs h LYS 64 N -0.23 0.54 -0.29 1.25 3.64 -1.76 -0.11 116.57 119.61 1wfs h LYS 64 Ca 0.16 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.35 1wfs h LYS 64 Cb 0.47 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1wfs h LYS 64 CO -0.44 0.36 -0.44 -0.07 -2.27 0.00 0.00 179.45 176.58 1wfs h LEU 65 N 0.55 0.80 -0.94 5.20 4.07 -0.94 -3.04 115.31 121.02 1wfs h LEU 65 Ca 0.39 -0.38 -0.11 0.00 0.08 0.00 0.00 57.88 57.86 1wfs h LEU 65 Cb 0.72 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.22 1wfs h LEU 65 CO -0.15 1.13 -0.39 -0.33 -1.08 0.00 0.00 178.44 177.62 1wfs h GLU 66 N 0.60 0.28 -7.09 1.13 4.39 0.71 -3.44 114.58 111.16 1wfs h GLU 66 Ca 0.04 -0.13 -0.53 0.00 0.34 0.00 0.00 59.36 59.08 1wfs h GLU 66 Cb 1.00 -0.00 0.11 0.00 -0.10 0.00 0.00 28.75 29.76 1wfs h GLU 66 CO 0.10 0.63 0.48 -0.51 -1.16 0.00 0.00 179.01 178.55 1wfs s LEU 67 N -8.32 3.69 0.00 1.33 1.43 -0.40 -5.03 118.68 111.38 1wfs s LEU 67 Ca -0.05 2.42 0.00 0.00 -1.03 0.00 0.00 54.13 55.47 1wfs s LEU 67 Cb 0.13 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.79 1wfs s LEU 67 CO 0.78 -1.57 0.00 -0.81 0.23 0.00 0.00 176.35 174.98 1wfs n PRO 68 N -1.50 -0.07 -0.00 1.29 -0.04 -1.26 -4.99 135.00 128.43 1wfs n PRO 68 Ca 0.13 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1wfs n PRO 68 Cb 0.49 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.95 1wfs n PRO 68 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1wfs n GLU 69 N -0.80 3.90 -2.76 0.54 0.28 -1.26 -4.81 120.64 115.73 1wfs n GLU 69 Ca 0.00 -0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.96 1wfs n GLU 69 Cb 0.00 -1.01 0.04 0.00 1.43 0.00 0.00 31.44 31.91 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 -2.02 1.65 -3.57 3.44 5.12 -1.26 -4.67 116.66 115.35 1wfs n ARG 70 Ca -0.00 -3.47 -0.24 0.00 -1.93 0.00 0.00 57.85 52.20 1wfs n ARG 70 Cb 0.51 -1.54 -0.16 0.00 -1.16 0.00 0.00 32.46 30.12 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 -3.61 0.12 0.32 5.56 -0.21 -1.26 -4.53 119.66 116.05 1wfs s GLN 71 Ca 0.28 -0.08 -0.28 0.00 0.02 0.00 0.00 55.36 55.29 1wfs s GLN 71 Cb 0.36 -1.55 -0.10 0.00 1.00 0.00 0.00 33.01 32.72 1wfs s GLN 71 CO -0.02 -0.73 1.22 -1.25 -2.12 0.00 0.00 175.29 172.40 1wfs s PRO 72 N 2.18 4.41 0.13 2.91 0.04 -1.26 -4.69 135.00 138.73 1wfs s PRO 72 Ca 0.04 2.03 -0.25 0.00 0.04 0.00 0.00 61.00 62.86 1wfs s PRO 72 Cb -0.16 -3.06 0.07 0.00 0.04 0.00 0.00 34.50 31.39 1wfs s PRO 72 CO -0.14 -0.07 0.95 -0.98 0.04 0.00 0.00 177.00 176.79 1wfs s ARG 73 N -1.74 1.15 0.10 4.56 1.70 -0.16 -4.94 118.95 119.61 1wfs s ARG 73 Ca 0.48 -0.61 -0.05 0.00 -0.47 0.00 0.00 55.73 55.09 1wfs s ARG 73 Cb -0.36 0.41 -0.05 0.00 -0.57 0.00 0.00 34.95 34.37 1wfs s ARG 73 CO 0.47 -0.52 0.33 -0.06 -1.08 0.00 0.00 175.30 174.44 1wfs s PHE 74 N -3.27 3.51 -0.16 5.89 0.08 -0.17 -1.06 117.98 122.80 1wfs s PHE 74 Ca 0.11 0.52 -0.07 0.00 0.12 0.00 0.00 56.93 57.62 1wfs s PHE 74 Cb -0.01 -1.97 0.07 0.00 -0.57 0.00 0.00 43.02 40.53 1wfs s PHE 74 CO 0.01 0.50 0.36 0.08 -0.10 0.00 0.00 175.22 176.06 1wfs s VAL 75 N -1.55 -0.30 -0.47 -0.44 1.01 0.33 -0.16 120.40 118.81 1wfs s VAL 75 Ca 0.37 0.17 -0.07 0.00 0.00 0.00 0.00 61.98 62.44 1wfs s VAL 75 Cb -0.13 -0.56 0.12 0.00 0.00 0.00 0.00 36.38 35.82 1wfs s VAL 75 CO 0.23 0.07 0.33 -0.69 0.00 0.00 0.00 175.10 175.04 1wfs s VAL 76 N 1.97 4.00 -0.02 2.92 1.01 -0.71 0.13 120.40 129.70 1wfs s VAL 76 Ca -0.05 -1.93 -0.16 0.00 0.00 0.00 0.00 61.98 59.84 1wfs s VAL 76 Cb -0.11 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 1wfs s VAL 76 CO -0.11 -0.77 0.44 -0.47 0.00 0.00 0.00 175.10 174.19 1wfs s TYR 77 N 1.21 3.68 -0.40 5.22 5.04 -1.05 -1.96 117.35 129.09 1wfs s TYR 77 Ca 0.07 0.99 0.04 0.00 -2.44 0.00 0.00 57.07 55.73 1wfs s TYR 77 Cb -0.25 -2.38 0.11 0.00 0.35 0.00 0.00 41.96 39.80 1wfs s TYR 77 CO -0.02 0.52 0.13 0.45 -1.34 0.00 0.00 175.55 175.28 1wfs s SER 78 N -0.64 4.63 0.50 4.32 0.15 -0.11 -2.00 113.70 120.55 1wfs s SER 78 Ca 0.25 -2.45 -0.07 0.00 0.70 0.00 0.00 55.95 54.38 1wfs s SER 78 Cb -0.17 -1.64 -0.04 0.00 -1.71 0.00 0.00 66.02 62.46 1wfs s SER 78 CO 0.13 -0.33 0.84 -0.47 1.20 0.00 0.00 173.24 174.61 1wfs s TYR 79 N 0.50 3.57 -0.35 3.44 5.04 -1.25 -3.36 117.35 124.94 1wfs s TYR 79 Ca 0.13 0.95 -0.05 0.00 -2.44 0.00 0.00 57.07 55.67 1wfs s TYR 79 Cb -0.21 -2.42 0.06 0.00 0.35 0.00 0.00 41.96 39.74 1wfs s TYR 79 CO -0.05 -0.35 0.10 0.21 -1.34 0.00 0.00 175.55 174.12 1wfs s LYS 80 N -4.73 2.47 -0.19 4.97 2.20 -1.26 -2.51 119.74 120.69 1wfs s LYS 80 Ca 0.50 -1.33 -0.09 0.00 -0.36 0.00 0.00 55.97 54.69 1wfs s LYS 80 Cb -0.10 -3.43 -0.05 0.00 -1.51 0.00 0.00 37.83 32.74 1wfs s LYS 80 CO 0.45 -0.74 0.10 -0.47 -0.36 0.00 0.00 175.35 174.33 1wfs s TYR 81 N 1.32 3.34 0.27 4.03 6.14 0.28 -4.95 117.35 127.77 1wfs s TYR 81 Ca -0.01 0.21 0.03 0.00 0.64 0.00 0.00 57.07 57.94 1wfs s TYR 81 Cb -0.20 -2.13 -0.03 0.00 0.42 0.00 0.00 41.96 40.01 1wfs s TYR 81 CO 0.01 0.22 0.42 0.08 0.64 0.00 0.00 175.55 176.92 1wfs s VAL 82 N 0.40 5.21 0.00 3.14 1.01 -1.26 0.48 120.40 129.37 1wfs s VAL 82 Ca 0.06 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1wfs s VAL 82 Cb -0.12 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.42 1wfs s VAL 82 CO -0.01 -0.37 0.00 1.41 0.00 0.00 0.00 175.10 176.13 1wfs n HIS 83 N -1.40 0.00 0.00 5.22 -0.00 0.19 -4.90 115.22 114.33 1wfs n HIS 83 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.65 1wfs n HIS 83 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.55 1wfs n HIS 83 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1wfs n ASP 84 N -0.00 0.00 0.07 0.41 -0.08 -1.26 -4.94 116.55 110.74 1wfs n ASP 84 Ca 0.00 0.00 0.09 0.00 -1.51 0.00 0.00 54.79 53.37 1wfs n ASP 84 Cb 0.00 0.00 0.40 0.00 2.34 0.00 0.00 41.12 43.86 1wfs n ASP 84 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1wfs n ASP 85 N 0.00 0.33 0.00 1.67 -0.08 -1.26 -4.77 116.55 112.44 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 -0.65 0.00 0.00 2.34 0.00 0.00 41.12 42.81 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 -0.03 0.81 3.55 0.27 0.00 -1.26 -5.14 105.19 103.40 1wfs n GLY 86 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1wfs n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wfs s ARG 87 N 0.00 2.44 -0.04 1.61 1.81 -1.26 -5.02 118.95 118.50 1wfs s ARG 87 Ca 0.00 -0.78 -0.01 0.00 -1.72 0.00 0.00 55.73 53.22 1wfs s ARG 87 Cb 0.00 -2.42 0.03 0.00 -0.45 0.00 0.00 34.95 32.11 1wfs s ARG 87 CO 0.00 0.59 0.07 0.54 -0.68 0.00 0.00 175.30 175.82 1wfs s VAL 88 N -0.96 -0.06 0.16 3.52 0.11 -1.26 0.53 120.40 122.44 1wfs s VAL 88 Ca 0.16 0.22 0.10 0.00 -2.93 0.00 0.00 61.98 59.53 1wfs s VAL 88 Cb -0.11 -0.14 -0.04 0.00 -1.53 0.00 0.00 36.38 34.56 1wfs s VAL 88 CO 0.06 0.09 -0.23 -0.44 -3.33 0.00 0.00 175.10 171.25 1wfs s SER 89 N 1.18 3.17 -0.57 3.54 0.01 0.18 -4.96 113.70 116.25 1wfs s SER 89 Ca -0.08 -0.82 -0.06 0.00 1.31 0.00 0.00 55.95 56.30 1wfs s SER 89 Cb -0.12 -0.22 0.15 0.00 0.21 0.00 0.00 66.02 66.04 1wfs s SER 89 CO -0.04 0.10 0.41 -0.31 0.41 0.00 0.00 173.24 173.81 1wfs s TYR 90 N -1.54 3.49 -0.55 2.43 2.02 -1.26 0.10 117.35 122.04 1wfs s TYR 90 Ca 0.17 -2.36 -0.27 0.00 -0.37 0.00 0.00 57.07 54.23 1wfs s TYR 90 Cb -0.08 -3.36 -0.02 0.00 -0.40 0.00 0.00 41.96 38.10 1wfs s TYR 90 CO 0.08 -0.92 1.82 -1.25 -1.57 0.00 0.00 175.55 173.71 1wfs s PRO 91 N 0.54 2.81 -0.04 -1.71 0.04 -1.04 -4.82 135.00 130.78 1wfs s PRO 91 Ca 0.13 0.77 -0.30 0.00 0.04 0.00 0.00 61.00 61.64 1wfs s PRO 91 Cb -0.21 -4.33 -0.03 0.00 0.04 0.00 0.00 34.50 29.97 1wfs s PRO 91 CO -0.04 -2.51 1.10 -0.51 0.04 0.00 0.00 177.00 175.09 1wfs s LEU 92 N 8.48 4.30 0.19 -3.56 1.02 -1.26 -3.75 118.68 124.09 1wfs s LEU 92 Ca 0.69 1.74 0.08 0.00 0.02 0.00 0.00 54.13 56.66 1wfs s LEU 92 Cb -0.14 -3.56 -0.04 0.00 0.02 0.00 0.00 46.19 42.46 1wfs s LEU 92 CO 0.24 -0.47 -0.16 0.00 0.02 0.00 0.00 176.35 175.98 1wfs s PHE 94 N -2.53 3.27 -0.40 0.00 5.36 -0.98 -2.51 117.98 120.18 1wfs s PHE 94 Ca 0.19 -1.08 -0.19 0.00 -0.96 0.00 0.00 56.93 54.90 1wfs s PHE 94 Cb -0.03 -3.14 0.01 0.00 -0.34 0.00 0.00 43.02 39.52 1wfs s PHE 94 CO 0.07 -0.82 0.55 0.42 -1.46 0.00 0.00 175.22 173.99 1wfs s ILE 95 N 1.59 4.95 -0.46 3.12 1.01 0.35 -1.83 121.20 129.93 1wfs s ILE 95 Ca 0.04 0.12 -0.19 0.00 0.00 0.00 0.00 60.65 60.62 1wfs s ILE 95 Cb -0.24 -4.08 0.04 0.00 0.01 0.00 0.00 42.46 38.19 1wfs s ILE 95 CO 0.05 -0.41 0.57 0.12 0.00 0.00 0.00 174.94 175.27 1wfs s PHE 96 N 2.52 3.10 -0.73 3.97 5.36 -1.21 -0.51 117.98 130.48 1wfs s PHE 96 Ca 0.19 -0.36 -0.27 0.00 -0.96 0.00 0.00 56.93 55.53 1wfs s PHE 96 Cb -0.15 -3.27 0.02 0.00 -0.34 0.00 0.00 43.02 39.28 1wfs s PHE 96 CO 0.16 -0.88 1.38 0.45 -1.46 0.00 0.00 175.22 174.87 1wfs s SER 97 N 2.21 6.02 -0.32 6.13 0.15 -0.22 -3.15 113.70 124.52 1wfs s SER 97 Ca 0.16 -0.35 -0.01 0.00 0.70 0.00 0.00 55.95 56.45 1wfs s SER 97 Cb -0.17 -2.56 0.10 0.00 -1.71 0.00 0.00 66.02 61.69 1wfs s SER 97 CO 0.14 -1.92 0.12 -0.55 1.20 0.00 0.00 173.24 172.23 1wfs s SER 98 N 4.52 3.83 0.95 5.45 0.15 -1.23 -0.99 113.70 126.38 1wfs s SER 98 Ca 0.41 -1.65 0.00 0.00 0.70 0.00 0.00 55.95 55.41 1wfs s SER 98 Cb -0.09 -0.72 0.00 0.00 -1.71 0.00 0.00 66.02 63.50 1wfs s SER 98 CO 0.15 -0.41 0.00 -0.81 1.20 0.00 0.00 173.24 173.37 1wfs n PRO 99 N 4.82 -0.93 -0.00 5.44 -0.04 -1.26 -4.35 135.00 138.68 1wfs n PRO 99 Ca -0.02 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.47 1wfs n PRO 99 Cb 0.41 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.83 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 -2.42 0.00 1.21 0.52 3.14 -1.26 -4.54 118.33 114.98 1wfs n VAL 100 Ca 0.00 -0.22 0.13 0.00 -2.96 0.00 0.00 64.34 61.29 1wfs n VAL 100 Cb 0.00 0.60 0.33 0.00 -1.06 0.00 0.00 33.84 33.70 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 1.78 -0.57 3.39 7.55 0.00 -1.26 -4.94 105.19 111.14 1wfs n GLY 101 Ca -0.00 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 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 -5.24 2.94 0.23 0.00 3.01 -1.26 -5.00 119.74 114.42 1wfs s LYS 103 Ca 0.70 -0.71 0.23 0.00 -1.01 0.00 0.00 55.97 55.17 1wfs s LYS 103 Cb -0.11 -2.74 0.95 0.00 -1.01 0.00 0.00 37.83 34.92 1wfs s LYS 103 CO 0.57 0.55 1.68 -0.35 0.51 0.00 0.00 175.35 178.31 1wfs n PRO 104 N 0.26 0.17 0.05 -1.68 -0.04 -1.26 -1.73 135.00 130.77 1wfs n PRO 104 Ca -0.08 0.41 -0.14 0.00 -0.04 0.00 0.00 63.50 63.65 1wfs n PRO 104 Cb 0.52 -1.84 -0.04 0.00 -0.04 0.00 0.00 33.50 32.11 1wfs n PRO 104 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1wfs h GLU 105 N 0.00 0.49 0.00 0.54 4.22 -2.00 -3.18 114.58 114.65 1wfs h GLU 105 Ca 0.00 -0.48 -0.07 0.00 0.08 0.00 0.00 59.36 58.88 1wfs h GLU 105 Cb 0.34 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1wfs h GLU 105 CO 0.00 1.12 -0.81 1.04 -2.18 0.00 0.00 179.01 178.19 1wfs n GLN 106 N -3.80 0.49 -0.37 1.92 1.13 -1.10 -3.92 117.38 111.73 1wfs n GLN 106 Ca -0.07 0.51 0.35 0.00 -1.94 0.00 0.00 57.00 55.84 1wfs n GLN 106 Cb 0.81 -1.68 0.62 0.00 0.11 0.00 0.00 30.24 30.10 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 -0.05 -0.12 -1.09 0.00 -0.71 0.22 117.38 111.09 1wfs n GLN 107 Ca -0.15 1.34 -0.08 0.00 -0.00 0.00 0.00 57.00 58.11 1wfs n GLN 107 Cb 0.41 -2.48 0.08 0.00 0.00 0.00 0.00 30.24 28.25 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 -0.01 3.69 2.86 -1.73 0.31 114.93 120.90 1wfs h MET 108 Ca 0.86 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 58.19 1wfs h MET 108 Cb 2.45 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 34.06 1wfs h MET 108 CO -0.67 0.94 0.01 0.52 1.06 0.00 0.00 176.91 178.78 1wfs h MET 109 N 0.76 0.00 0.06 1.72 2.86 0.26 -0.19 114.93 120.40 1wfs h MET 109 Ca 0.12 0.00 -0.38 0.00 -2.06 0.00 0.00 59.70 57.38 1wfs h MET 109 Cb 0.66 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.28 1wfs h MET 109 CO 0.05 0.00 -2.24 0.66 1.06 0.00 0.00 176.91 176.43 1wfs n TYR 110 N -4.31 0.59 0.24 -0.22 4.02 -1.00 -3.26 117.16 113.22 1wfs n TYR 110 Ca -0.03 0.13 0.07 0.00 -0.01 0.00 0.00 57.90 58.06 1wfs n TYR 110 Cb 0.10 -1.08 0.57 0.00 -0.02 0.00 0.00 39.34 38.91 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 0.09 1.81 0.00 -0.72 0.00 -0.13 1.71 119.26 122.01 1wfs h ALA 111 Ca -0.50 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.28 1wfs h ALA 111 Cb 1.97 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 1wfs h ALA 111 CO -0.00 0.13 -1.25 0.41 0.00 0.00 0.00 179.25 178.54 1wfs n GLY 112 N -1.22 -1.34 0.31 0.00 0.00 -0.11 -4.06 105.19 98.77 1wfs n GLY 112 Ca -0.03 -0.26 0.08 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.65 1.48 0.17 1.61 7.64 -0.86 -4.59 113.62 116.42 1wfs n SER 113 Ca -0.03 -1.24 -0.10 0.00 1.01 0.00 0.00 58.87 58.51 1wfs n SER 113 Cb 0.61 0.56 -0.05 0.00 -1.01 0.00 0.00 64.21 64.32 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 1.50 -0.55 -0.97 1.43 3.64 0.24 -1.70 116.57 120.17 1wfs h LYS 114 Ca 0.00 0.04 0.23 0.00 -1.27 0.00 0.00 60.65 59.65 1wfs h LYS 114 Cb 0.52 0.12 -0.12 0.00 -0.41 0.00 0.00 32.23 32.35 1wfs h LYS 114 CO 0.00 -0.36 0.54 -0.91 -2.27 0.00 0.00 179.45 176.44 1wfs h ASN 115 N -0.57 0.59 0.03 4.20 2.35 -1.82 0.46 115.58 120.83 1wfs h ASN 115 Ca -0.04 0.13 0.03 0.00 -0.55 0.00 0.00 56.30 55.87 1wfs h ASN 115 Cb 0.49 0.05 -0.04 0.00 0.05 0.00 0.00 38.32 38.87 1wfs h ASN 115 CO -0.03 0.10 -0.22 -0.09 -1.65 0.00 0.00 177.43 175.55 1wfs h ARG 116 N 0.56 -0.35 0.56 0.81 9.65 -1.72 0.22 114.38 124.11 1wfs h ARG 116 Ca 0.61 0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 59.48 1wfs h ARG 116 Cb 1.12 0.08 0.01 0.00 -1.39 0.00 0.00 29.97 29.78 1wfs h ARG 116 CO -0.47 -0.23 -0.27 1.25 2.80 0.00 0.00 179.97 183.05 1wfs h LEU 117 N -0.36 -0.64 -0.44 3.80 5.85 -0.24 -2.54 115.31 120.75 1wfs h LEU 117 Ca 0.05 -0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.81 1wfs h LEU 117 Cb 0.43 0.16 -0.10 0.00 0.37 0.00 0.00 40.66 41.53 1wfs h LEU 117 CO -0.18 -0.29 -0.36 0.58 -0.34 0.00 0.00 178.44 177.84 1wfs h VAL 118 N -1.00 0.18 -0.98 1.05 2.07 -0.92 0.15 116.25 116.80 1wfs h VAL 118 Ca -0.08 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.63 1wfs h VAL 118 Cb 0.64 0.18 -0.09 0.00 -1.52 0.00 0.00 31.29 30.50 1wfs h VAL 118 CO 0.13 0.00 0.61 1.56 0.02 0.00 0.00 177.57 179.89 1wfs h GLN 119 N -0.26 0.67 -0.47 1.57 4.20 -0.59 -0.26 115.11 119.98 1wfs h GLN 119 Ca 0.17 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 1wfs h GLN 119 Cb 0.56 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1wfs h GLN 119 CO -0.58 0.45 0.28 1.15 -0.67 0.00 0.00 178.83 179.46 1wfs h THR 120 N 0.69 1.14 0.00 -0.54 2.02 -0.29 -2.17 112.91 113.76 1wfs h THR 120 Ca 0.54 -0.32 -0.06 0.00 0.77 0.00 0.00 66.41 67.33 1wfs h THR 120 Cb 0.92 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1wfs h THR 120 CO -0.31 0.15 -0.30 0.00 0.37 0.00 0.00 175.52 175.43 1wfs h ALA 121 N 1.14 1.14 -0.53 6.16 0.00 -0.38 -3.46 119.26 123.32 1wfs h ALA 121 Ca 0.17 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1wfs h ALA 121 Cb -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1wfs h ALA 121 CO -0.03 0.38 -0.01 -1.91 0.00 0.00 0.00 179.25 177.68 1wfs n GLU 122 N -3.66 -0.08 -3.00 0.00 2.13 -0.41 -4.73 120.64 110.90 1wfs n GLU 122 Ca -0.01 0.02 -0.42 0.00 0.66 0.00 0.00 57.16 57.41 1wfs n GLU 122 Cb 0.42 -3.08 -0.06 0.00 0.27 0.00 0.00 31.44 28.99 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 -0.57 4.18 0.04 4.31 1.43 -1.21 -4.94 118.68 121.92 1wfs s LEU 123 Ca 0.00 0.25 -0.20 0.00 -1.03 0.00 0.00 54.13 53.16 1wfs s LEU 123 Cb -0.00 -2.95 -0.16 0.00 0.03 0.00 0.00 46.19 43.11 1wfs s LEU 123 CO 0.01 -0.71 1.29 0.74 0.23 0.00 0.00 176.35 177.91 1wfs h THR 124 N 5.75 1.37 -3.39 5.49 2.02 -1.93 -3.42 112.91 118.80 1wfs h THR 124 Ca -0.25 -1.52 -0.57 0.00 0.77 0.00 0.00 66.41 64.84 1wfs h THR 124 Cb 1.10 2.01 -0.07 0.00 -1.74 0.00 0.00 68.15 69.45 1wfs h THR 124 CO 0.89 0.45 0.82 -0.54 0.37 0.00 0.00 175.52 177.51 1wfs s LYS 125 N -4.03 3.99 -0.24 6.66 1.02 -1.26 -5.01 119.74 120.87 1wfs s LYS 125 Ca -0.14 0.93 0.01 0.00 0.02 0.00 0.00 55.97 56.80 1wfs s LYS 125 Cb 0.05 -3.77 0.06 0.00 -0.52 0.00 0.00 37.83 33.65 1wfs s LYS 125 CO 0.78 -0.97 -0.08 0.08 -0.92 0.00 0.00 175.35 174.24 1wfs s VAL 126 N 3.72 1.73 0.30 3.17 1.01 -1.26 -2.33 120.40 126.74 1wfs s VAL 126 Ca 0.45 -1.31 0.07 0.00 0.00 0.00 0.00 61.98 61.19 1wfs s VAL 126 Cb -0.11 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 1wfs s VAL 126 CO 0.18 -0.04 0.34 -0.36 0.00 0.00 0.00 175.10 175.22 1wfs s PHE 127 N 1.31 3.09 -0.14 5.22 0.08 -0.76 -4.98 117.98 121.80 1wfs s PHE 127 Ca -0.06 -0.20 -0.04 0.00 0.12 0.00 0.00 56.93 56.75 1wfs s PHE 127 Cb -0.19 -1.74 0.05 0.00 -0.57 0.00 0.00 43.02 40.57 1wfs s PHE 127 CO -0.06 0.23 0.08 -2.00 -0.10 0.00 0.00 175.22 173.37 1wfs s GLU 128 N -4.02 0.03 -0.09 0.44 2.12 -1.26 -3.29 118.70 112.63 1wfs s GLU 128 Ca 0.39 0.04 -0.17 0.00 0.36 0.00 0.00 54.97 55.59 1wfs s GLU 128 Cb -0.08 -1.49 -0.05 0.00 0.26 0.00 0.00 34.13 32.77 1wfs s GLU 128 CO 0.28 -0.58 0.45 0.96 -0.54 0.00 0.00 175.26 175.83 1wfs s ILE 129 N 2.15 5.14 -0.25 -3.70 -4.36 -1.19 -4.96 121.20 114.02 1wfs s ILE 129 Ca 0.03 0.91 0.23 0.00 -0.26 0.00 0.00 60.65 61.55 1wfs s ILE 129 Cb -0.15 -3.78 0.28 0.00 1.25 0.00 0.00 42.46 40.05 1wfs s ILE 129 CO -0.07 0.40 1.64 -0.09 0.24 0.00 0.00 174.94 177.06 1wfs h ARG 130 N 6.17 0.00 -1.74 0.37 9.65 -1.89 -3.26 114.38 123.69 1wfs h ARG 130 Ca -0.44 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.47 1wfs h ARG 130 Cb 1.19 0.00 -0.24 0.00 -1.39 0.00 0.00 29.97 29.52 1wfs h ARG 130 CO 0.72 0.13 0.33 -0.08 2.80 0.00 0.00 179.97 183.87 1wfs s THR 131 N -3.26 0.00 0.22 0.20 -1.32 -1.26 -4.04 115.64 106.18 1wfs s THR 131 Ca 0.05 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.52 1wfs s THR 131 Cb 0.07 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.38 1wfs s THR 131 CO 0.67 0.00 1.15 0.35 -2.21 0.00 0.00 174.62 174.58 1wfs n THR 132 N 2.56 -0.31 -0.37 5.08 -2.24 -1.26 0.72 114.28 118.46 1wfs n THR 132 Ca -0.14 1.65 0.02 0.00 -2.27 0.00 0.00 64.05 63.31 1wfs n THR 132 Cb 0.56 -2.35 0.09 0.00 -2.10 0.00 0.00 70.33 66.52 1wfs n THR 132 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1wfs h ASP 133 N 0.00 -1.19 -0.90 3.42 5.19 -1.96 0.49 116.42 121.47 1wfs h ASP 133 Ca 0.41 0.30 0.22 0.00 -0.62 0.00 0.00 57.03 57.35 1wfs h ASP 133 Cb 0.77 0.69 -0.16 0.00 0.18 0.00 0.00 39.33 40.80 1wfs h ASP 133 CO -0.72 -0.31 -0.01 0.44 -3.12 0.00 0.00 179.24 175.52 1wfs h ASP 134 N -0.00 -0.48 -0.62 6.45 5.19 -0.12 -3.34 116.42 123.50 1wfs h ASP 134 Ca 0.41 0.25 -0.15 0.00 -0.62 0.00 0.00 57.03 56.92 1wfs h ASP 134 Cb 0.66 0.45 -0.01 0.00 0.18 0.00 0.00 39.33 40.61 1wfs h ASP 134 CO -1.01 -0.28 0.58 -0.11 -3.12 0.00 0.00 179.24 175.30 1wfs n LEU 135 N -5.45 1.69 -4.08 1.55 7.94 0.17 -4.52 117.00 114.31 1wfs n LEU 135 Ca 0.19 -1.16 -0.12 0.00 -1.11 0.00 0.00 56.01 53.81 1wfs n LEU 135 Cb 0.62 -1.56 -0.11 0.00 0.53 0.00 0.00 43.42 42.90 1wfs n LEU 135 CO -0.03 -2.26 -0.39 0.42 -1.11 0.00 0.00 177.39 174.02 1wfs s THR 136 N 13.18 0.52 0.42 1.96 -4.23 -1.25 -4.69 115.64 121.55 1wfs s THR 136 Ca 0.98 -1.31 0.28 0.00 -1.18 0.00 0.00 61.69 60.46 1wfs s THR 136 Cb -0.21 -0.88 0.46 0.00 1.34 0.00 0.00 72.50 73.20 1wfs s THR 136 CO 0.17 -0.54 1.61 -0.08 -0.54 0.00 0.00 174.62 175.24 1wfs h GLU 137 N 4.07 0.08 0.00 3.99 4.81 -1.90 0.19 114.58 125.82 1wfs h GLU 137 Ca -0.35 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1wfs h GLU 137 Cb 1.19 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1wfs h GLU 137 CO 0.48 0.05 -0.02 1.15 -0.73 0.00 0.00 179.01 179.94 1wfs h THR 138 N 0.08 0.00 -0.19 0.32 2.02 -1.95 -2.27 112.91 110.92 1wfs h THR 138 Ca 0.83 -0.65 0.06 0.00 0.77 0.00 0.00 66.41 67.41 1wfs h THR 138 Cb 2.49 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.89 1wfs h THR 138 CO -0.49 0.00 0.76 -0.25 0.37 0.00 0.00 175.52 175.91 1wfs h TRP 139 N -0.65 0.00 0.00 3.16 7.01 -1.56 0.55 115.95 124.47 1wfs h TRP 139 Ca 0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 1wfs h TRP 139 Cb 0.02 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.08 1wfs h TRP 139 CO -0.01 0.00 -0.42 1.25 -2.79 0.00 0.00 178.44 176.47 1wfs h LEU 140 N 0.00 0.00 -2.62 0.65 7.12 -0.75 -3.31 115.31 116.40 1wfs h LEU 140 Ca 0.09 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.10 1wfs h LEU 140 Cb 1.61 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.74 1wfs h LEU 140 CO -0.00 0.69 0.00 0.11 -0.13 0.00 0.00 178.44 179.11 1wfs h LYS 141 N -0.96 0.00 -0.08 1.25 1.57 -0.56 -2.01 116.57 115.79 1wfs h LYS 141 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1wfs h LYS 141 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1wfs h LYS 141 CO 0.00 0.00 -0.30 0.93 -0.57 0.00 0.00 179.45 179.51 1wfs h GLU 142 N 0.00 0.35 -0.44 3.15 5.08 -0.12 -1.25 114.58 121.36 1wfs h GLU 142 Ca 0.00 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.04 1wfs h GLU 142 Cb 0.02 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1wfs h GLU 142 CO 0.00 0.90 0.06 0.87 -1.00 0.00 0.00 179.01 179.84 1wfs h LYS 143 N -0.12 0.67 0.12 2.33 1.79 -1.45 -2.37 116.57 117.55 1wfs h LYS 143 Ca -0.01 -0.14 -0.01 0.00 -2.18 0.00 0.00 60.65 58.31 1wfs h LYS 143 Cb 0.94 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.49 1wfs h LYS 143 CO 0.06 0.65 -0.06 -0.07 -1.08 0.00 0.00 179.45 178.95 1wfs h LEU 144 N 0.65 -0.14 0.00 2.94 3.38 -1.53 -2.84 115.31 117.77 1wfs h LEU 144 Ca 0.14 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1wfs h LEU 144 Cb 0.32 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1wfs h LEU 144 CO 0.01 0.42 0.00 0.00 0.09 0.00 0.00 178.44 178.95 1wfs n ALA 145 N -2.52 0.00 -2.37 1.53 0.00 -0.47 -4.49 120.51 112.18 1wfs n ALA 145 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.32 1wfs n ALA 145 Cb 0.28 0.36 0.03 0.00 0.00 0.00 0.00 19.45 20.12 1wfs n ALA 145 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wfs n SER 146 N -1.90 -0.90 -0.89 0.00 2.88 -1.18 -5.11 113.62 106.51 1wfs n SER 146 Ca 0.00 -2.10 0.12 0.00 -1.33 0.00 0.00 58.87 55.57 1wfs n SER 146 Cb 0.00 0.38 -0.03 0.00 -0.75 0.00 0.00 64.21 63.81 1wfs n SER 146 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wfs n GLY 147 N -0.67 -1.66 1.84 0.46 0.00 -0.90 -4.92 105.19 99.33 1wfs n GLY 147 Ca -0.19 -1.30 -0.16 0.00 0.00 0.00 0.00 46.02 44.37 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 -3.01 -2.15 -3.50 1.61 -0.04 -1.26 -4.67 135.00 121.99 1wfs n PRO 148 Ca 0.01 -0.92 -0.13 0.00 -0.04 0.00 0.00 63.50 62.42 1wfs n PRO 148 Cb 0.41 -0.86 -0.04 0.00 -0.04 0.00 0.00 33.50 32.96 1wfs n PRO 148 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wfs s SER 149 N -3.05 -0.52 0.22 3.54 0.01 -1.26 -5.11 113.70 107.53 1wfs s SER 149 Ca 0.37 0.33 -0.21 0.00 1.31 0.00 0.00 55.95 57.75 1wfs s SER 149 Cb -0.04 0.47 0.04 0.00 0.21 0.00 0.00 66.02 66.70 1wfs s SER 149 CO 0.29 -0.64 0.65 -0.55 0.41 0.00 0.00 173.24 173.39 1wfs s SER 150 N -1.81 -0.37 0.00 2.44 0.15 -1.26 -5.30 113.70 107.55 1wfs s SER 150 Ca -0.03 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1wfs s SER 150 Cb -0.01 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 1wfs s SER 150 CO -0.01 -1.17 0.00 0.61 1.20 0.00 0.00 173.24 173.87