#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ywx s ASP 2 N 0.00 -0.75 0.08 6.12 1.01 -1.07 -5.00 116.67 117.06 1ywx s ASP 2 Ca 0.00 1.39 0.06 0.00 0.71 0.00 0.00 52.55 54.71 1ywx s ASP 2 Cb 0.00 1.39 -0.04 0.00 1.01 0.00 0.00 42.92 45.28 1ywx s ASP 2 CO 0.00 -0.24 -0.09 -0.63 0.21 0.00 0.00 175.17 174.42 1ywx s ILE 3 N 0.57 3.45 -0.04 0.77 1.01 -1.26 0.15 121.20 125.84 1ywx s ILE 3 Ca -0.02 -1.15 0.01 0.00 0.00 0.00 0.00 60.65 59.49 1ywx s ILE 3 Cb -0.05 -2.58 0.02 0.00 0.01 0.00 0.00 42.46 39.86 1ywx s ILE 3 CO -0.02 0.18 -0.02 -0.55 0.00 0.00 0.00 174.94 174.52 1ywx s SER 4 N -2.02 0.82 0.21 3.58 0.15 0.41 -4.94 113.70 111.91 1ywx s SER 4 Ca 0.21 -0.08 -0.30 0.00 0.70 0.00 0.00 55.95 56.47 1ywx s SER 4 Cb -0.11 -0.36 -0.08 0.00 -1.71 0.00 0.00 66.02 63.75 1ywx s SER 4 CO 0.12 -0.09 1.15 -0.63 1.20 0.00 0.00 173.24 175.00 1ywx s ILE 5 N 1.07 3.59 -0.18 6.45 -1.09 -1.26 0.18 121.20 129.96 1ywx s ILE 5 Ca -0.09 1.41 -0.15 0.00 -2.23 0.00 0.00 60.65 59.60 1ywx s ILE 5 Cb -0.14 -3.90 -0.07 0.00 -1.58 0.00 0.00 42.46 36.77 1ywx s ILE 5 CO -0.01 0.26 -0.31 -0.38 -1.23 0.00 0.00 174.94 173.27 1ywx n ILE 6 N 2.07 1.43 -4.22 2.92 2.08 0.15 -4.86 119.36 118.93 1ywx n ILE 6 Ca 0.02 0.02 -0.12 0.00 0.56 0.00 0.00 62.75 63.22 1ywx n ILE 6 Cb 0.45 -2.13 -0.10 0.00 -0.75 0.00 0.00 39.64 37.11 1ywx n ILE 6 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 1ywx s SER 7 N -6.31 0.98 -0.38 4.38 0.01 -0.59 -4.97 113.70 106.83 1ywx s SER 7 Ca -0.28 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 55.80 1ywx s SER 7 Cb 0.06 0.16 0.13 0.00 0.21 0.00 0.00 66.02 66.58 1ywx s SER 7 CO 0.39 -0.61 0.19 1.51 0.41 0.00 0.00 173.24 175.14 1ywx s ASP 8 N -3.14 3.51 0.23 2.44 1.47 -1.26 -1.38 116.67 118.54 1ywx s ASP 8 Ca 0.24 -2.20 0.06 0.00 1.18 0.00 0.00 52.55 51.83 1ywx s ASP 8 Cb 0.06 -0.76 -0.04 0.00 -0.34 0.00 0.00 42.92 41.85 1ywx s ASP 8 CO 0.03 -0.32 0.22 -0.13 0.68 0.00 0.00 175.17 175.65 1ywx s ARG 9 N 0.94 3.04 -0.08 2.11 1.81 -0.35 -5.02 118.95 121.41 1ywx s ARG 9 Ca 0.16 -0.95 -0.03 0.00 -1.72 0.00 0.00 55.73 53.18 1ywx s ARG 9 Cb -0.22 -2.66 0.05 0.00 -0.45 0.00 0.00 34.95 31.67 1ywx s ARG 9 CO -0.07 0.42 0.15 1.21 -0.68 0.00 0.00 175.30 176.34 1ywx s ASN 10 N -3.72 0.80 -0.49 0.23 2.47 -1.26 -2.94 114.94 110.02 1ywx s ASN 10 Ca 0.33 0.31 0.04 0.00 0.42 0.00 0.00 52.86 53.95 1ywx s ASN 10 Cb -0.09 0.23 0.12 0.00 -1.45 0.00 0.00 41.25 40.07 1ywx s ASN 10 CO 0.26 -0.25 0.22 0.20 -3.72 0.00 0.00 177.10 173.81 1ywx s ASN 11 N 2.28 4.40 0.13 -4.21 0.01 -1.13 -4.91 114.94 111.52 1ywx s ASN 11 Ca 0.03 -2.86 -0.05 0.00 -0.71 0.00 0.00 52.86 49.27 1ywx s ASN 11 Cb -0.12 -1.64 -0.07 0.00 0.41 0.00 0.00 41.25 39.83 1ywx s ASN 11 CO -0.05 -0.26 1.33 1.55 -1.51 0.00 0.00 177.10 178.15 1ywx h PRO 12 N 6.70 0.47 0.28 -0.60 0.13 -1.96 0.94 132.00 137.97 1ywx h PRO 12 Ca -0.07 -0.46 -0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1ywx h PRO 12 Cb 0.91 0.12 -0.03 0.00 0.13 0.00 0.00 31.00 32.13 1ywx h PRO 12 CO 0.66 1.11 -0.49 -0.07 -0.23 0.00 0.00 178.00 178.97 1ywx h LEU 13 N 0.29 -1.42 -0.58 1.56 4.07 -1.92 0.31 115.31 117.61 1ywx h LEU 13 Ca -0.07 0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1ywx h LEU 13 Cb 1.50 0.50 0.00 0.00 1.08 0.00 0.00 40.66 43.74 1ywx h LEU 13 CO 0.16 -0.58 0.00 0.18 -1.08 0.00 0.00 178.44 177.12 1ywx n LEU 14 N -5.32 0.32 -2.60 1.67 4.77 -1.25 -4.86 117.00 109.73 1ywx n LEU 14 Ca -0.10 0.61 -0.10 0.00 -0.03 0.00 0.00 56.01 56.40 1ywx n LEU 14 Cb 0.41 -0.61 0.05 0.00 -2.33 0.00 0.00 43.42 40.93 1ywx n LEU 14 CO 0.19 -0.60 0.03 0.00 -1.33 0.00 0.00 177.39 175.69 1ywx n GLN 15 N -1.89 -1.91 -3.63 3.23 6.02 0.11 -4.79 117.38 114.51 1ywx n GLN 15 Ca 0.01 0.55 0.03 0.00 -0.01 0.00 0.00 57.00 57.57 1ywx n GLN 15 Cb 0.10 -4.31 -0.06 0.00 1.02 0.00 0.00 30.24 26.98 1ywx n GLN 15 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1ywx s ARG 16 N -4.05 0.03 0.00 -1.09 1.70 0.30 -3.68 118.95 112.16 1ywx s ARG 16 Ca 0.24 0.05 -0.25 0.00 -0.47 0.00 0.00 55.73 55.30 1ywx s ARG 16 Cb -0.03 0.01 -0.05 0.00 -0.57 0.00 0.00 34.95 34.31 1ywx s ARG 16 CO 0.47 -0.01 0.77 0.50 -1.08 0.00 0.00 175.30 175.95 1ywx s ARG 17 N 1.06 4.48 -0.25 3.89 3.52 0.51 -2.83 118.95 129.33 1ywx s ARG 17 Ca -0.08 1.04 -0.01 0.00 -0.13 0.00 0.00 55.73 56.55 1ywx s ARG 17 Cb -0.02 -3.40 0.03 0.00 -1.56 0.00 0.00 34.95 30.00 1ywx s ARG 17 CO -0.10 0.18 -0.07 -1.21 -0.81 0.00 0.00 175.30 173.29 1ywx s GLU 18 N 0.34 2.77 0.04 5.12 2.02 -1.15 -0.31 118.70 127.52 1ywx s GLU 18 Ca 0.40 -1.02 0.08 0.00 0.02 0.00 0.00 54.97 54.45 1ywx s GLU 18 Cb -0.20 -2.96 -0.03 0.00 0.10 0.00 0.00 34.13 31.05 1ywx s GLU 18 CO 0.22 -0.41 -0.24 0.42 0.02 0.00 0.00 175.26 175.26 1ywx s ILE 19 N 1.30 1.94 -0.07 -1.63 1.01 0.08 -1.21 121.20 122.62 1ywx s ILE 19 Ca -0.01 -1.28 -0.01 0.00 0.00 0.00 0.00 60.65 59.35 1ywx s ILE 19 Cb -0.17 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 1ywx s ILE 19 CO -0.05 0.32 -0.02 -0.54 0.00 0.00 0.00 174.94 174.65 1ywx s LYS 20 N -1.15 2.88 0.36 2.79 -0.14 -0.48 -0.75 119.74 123.24 1ywx s LYS 20 Ca 0.10 -0.48 -0.10 0.00 -1.36 0.00 0.00 55.97 54.13 1ywx s LYS 20 Cb -0.09 -2.72 0.04 0.00 -1.68 0.00 0.00 37.83 33.38 1ywx s LYS 20 CO 0.02 0.68 0.65 1.97 -0.76 0.00 0.00 175.35 177.91 1ywx n PHE 21 N 2.04 -2.00 -3.94 3.18 1.16 -1.05 0.31 117.46 117.16 1ywx n PHE 21 Ca -0.18 -1.89 -0.09 0.00 -1.87 0.00 0.00 57.45 53.43 1ywx n PHE 21 Cb 0.53 0.75 -0.09 0.00 -1.61 0.00 0.00 39.48 39.07 1ywx n PHE 21 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1ywx s THR 22 N -2.37 0.15 -0.03 1.97 2.01 0.49 -2.40 115.64 115.46 1ywx s THR 22 Ca 0.19 -1.23 0.01 0.00 0.31 0.00 0.00 61.69 60.97 1ywx s THR 22 Cb -0.03 -1.10 0.02 0.00 0.01 0.00 0.00 72.50 71.40 1ywx s THR 22 CO 0.14 -0.68 -0.05 0.54 -0.69 0.00 0.00 174.62 173.88 1ywx s VAL 23 N -3.10 0.55 -0.09 3.82 0.11 0.18 0.15 120.40 122.03 1ywx s VAL 23 Ca -0.01 -0.17 -0.02 0.00 -2.93 0.00 0.00 61.98 58.85 1ywx s VAL 23 Cb 0.02 -0.54 -0.03 0.00 -1.53 0.00 0.00 36.38 34.29 1ywx s VAL 23 CO -0.07 0.21 -0.00 -0.55 -3.33 0.00 0.00 175.10 171.36 1ywx s SER 24 N 0.65 5.20 -0.02 3.54 0.15 0.12 -0.67 113.70 122.67 1ywx s SER 24 Ca -0.09 0.12 -0.22 0.00 0.70 0.00 0.00 55.95 56.46 1ywx s SER 24 Cb -0.12 -1.49 0.07 0.00 -1.71 0.00 0.00 66.02 62.77 1ywx s SER 24 CO 0.00 0.36 0.99 2.22 1.20 0.00 0.00 173.24 178.01 1ywx n PHE 25 N 2.26 -0.30 -3.47 3.44 1.16 -0.92 -2.61 117.46 117.02 1ywx n PHE 25 Ca -0.18 -0.54 -0.43 0.00 -1.87 0.00 0.00 57.45 54.43 1ywx n PHE 25 Cb 0.53 0.24 -0.04 0.00 -1.61 0.00 0.00 39.48 38.60 1ywx n PHE 25 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1ywx s ASP 26 N -3.19 6.32 0.53 5.98 1.01 -1.26 -4.49 116.67 121.57 1ywx s ASP 26 Ca 0.23 -2.97 0.00 0.00 0.71 0.00 0.00 52.55 50.52 1ywx s ASP 26 Cb -0.01 -2.08 0.00 0.00 1.01 0.00 0.00 42.92 41.85 1ywx s ASP 26 CO -0.01 -0.44 0.00 0.00 0.21 0.00 0.00 175.17 174.94 1ywx n ALA 27 N 3.49 0.00 -3.57 5.23 0.00 -1.26 -4.81 120.51 119.59 1ywx n ALA 27 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.29 1ywx n ALA 27 Cb 0.42 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.89 1ywx n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ywx n ALA 28 N 7.80 -2.48 -1.46 0.00 0.00 -1.26 -4.45 120.51 118.67 1ywx n ALA 28 Ca 0.00 -0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 1ywx n ALA 28 Cb 0.00 -1.30 -0.12 0.00 0.00 0.00 0.00 19.45 18.03 1ywx n ALA 28 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ywx n THR 29 N -1.46 0.01 -0.17 0.00 -1.04 -1.26 -4.89 114.28 105.48 1ywx n THR 29 Ca -0.21 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 1ywx n THR 29 Cb 0.65 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 68.20 1ywx n THR 29 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1ywx n PRO 30 N 8.37 0.67 -4.17 -2.82 -0.04 -1.26 -5.11 135.00 130.63 1ywx n PRO 30 Ca 0.57 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.92 1ywx n PRO 30 Cb 0.12 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.48 1ywx n PRO 30 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1ywx s SER 31 N -1.25 0.93 -0.01 3.54 1.04 -1.26 -5.03 113.70 111.66 1ywx s SER 31 Ca 0.00 -1.08 -0.24 0.00 0.48 0.00 0.00 55.95 55.11 1ywx s SER 31 Cb 0.00 0.15 -0.16 0.00 0.10 0.00 0.00 66.02 66.11 1ywx s SER 31 CO 0.00 -0.56 1.11 0.40 0.98 0.00 0.00 173.24 175.17 1ywx h ILE 32 N 2.90 0.65 -0.03 -1.02 2.04 -1.97 0.95 117.51 121.03 1ywx h ILE 32 Ca -0.35 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 1ywx h ILE 32 Cb 1.18 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 38.23 1ywx h ILE 32 CO 0.63 0.13 -0.05 0.50 0.00 0.00 0.00 178.15 179.36 1ywx h LYS 33 N -0.83 0.05 0.06 2.37 3.11 -1.97 1.41 116.57 120.76 1ywx h LYS 33 Ca -0.04 -0.00 -0.24 0.00 -2.81 0.00 0.00 60.65 57.56 1ywx h LYS 33 Cb 0.52 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.73 1ywx h LYS 33 CO 0.07 0.10 -1.06 -0.44 -2.81 0.00 0.00 179.45 175.31 1ywx h ASP 34 N 0.05 0.32 0.19 4.20 3.32 -1.93 -3.08 116.42 119.49 1ywx h ASP 34 Ca 0.01 -0.31 -0.29 0.00 0.02 0.00 0.00 57.03 56.47 1ywx h ASP 34 Cb 0.11 -0.10 0.02 0.00 0.22 0.00 0.00 39.33 39.59 1ywx h ASP 34 CO 0.01 1.18 -1.19 0.58 -1.72 0.00 0.00 179.24 178.10 1ywx h VAL 35 N 0.09 1.32 -0.34 -1.35 2.07 0.25 -3.13 116.25 115.16 1ywx h VAL 35 Ca -0.08 -2.50 0.10 0.00 0.82 0.00 0.00 66.70 65.04 1ywx h VAL 35 Cb 1.75 2.65 -0.01 0.00 -1.52 0.00 0.00 31.29 34.16 1ywx h VAL 35 CO 0.17 0.76 0.25 0.07 0.02 0.00 0.00 177.57 178.83 1ywx h LYS 36 N 0.26 0.00 0.21 1.57 2.10 0.18 -0.15 116.57 120.75 1ywx h LYS 36 Ca -0.17 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.49 1ywx h LYS 36 Cb 1.86 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 33.15 1ywx h LYS 36 CO 0.22 0.00 -0.52 0.52 -2.00 0.00 0.00 179.45 177.68 1ywx h MET 37 N 0.00 -0.78 -0.04 0.07 2.86 -1.47 1.49 114.93 117.06 1ywx h MET 37 Ca 0.16 0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.84 1ywx h MET 37 Cb 0.65 0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.49 1ywx h MET 37 CO -0.00 -0.52 -0.04 0.87 1.06 0.00 0.00 176.91 178.28 1ywx h LYS 38 N -0.81 0.10 -0.91 1.72 6.56 -1.56 -2.88 116.57 118.79 1ywx h LYS 38 Ca -0.02 -0.05 0.22 0.00 -1.06 0.00 0.00 60.65 59.74 1ywx h LYS 38 Cb 0.78 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.39 1ywx h LYS 38 CO -0.23 0.56 0.61 -0.07 -2.06 0.00 0.00 179.45 178.26 1ywx h LEU 39 N -0.36 0.31 -0.54 2.94 3.38 -0.89 0.63 115.31 120.77 1ywx h LEU 39 Ca 0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1ywx h LEU 39 Cb 0.54 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1ywx h LEU 39 CO 0.01 0.11 0.31 0.58 0.09 0.00 0.00 178.44 179.54 1ywx h VAL 40 N 0.30 1.17 -0.02 1.22 2.07 0.23 1.59 116.25 122.81 1ywx h VAL 40 Ca 0.47 -0.43 -0.18 0.00 0.82 0.00 0.00 66.70 67.39 1ywx h VAL 40 Cb 1.33 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1ywx h VAL 40 CO -0.14 0.18 -0.77 0.00 0.02 0.00 0.00 177.57 176.86 1ywx h ALA 41 N 1.14 0.65 0.13 1.67 0.00 -0.03 1.45 119.26 124.28 1ywx h ALA 41 Ca 0.19 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1ywx h ALA 41 Cb 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1ywx h ALA 41 CO -0.03 0.84 -0.06 0.28 0.00 0.00 0.00 179.25 180.28 1ywx h VAL 42 N 0.13 1.04 0.00 0.00 2.07 0.65 -3.19 116.25 116.94 1ywx h VAL 42 Ca -0.03 -1.01 -0.13 0.00 0.82 0.00 0.00 66.70 66.36 1ywx h VAL 42 Cb 1.35 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.74 1ywx h VAL 42 CO 0.12 0.23 -0.60 -0.07 0.02 0.00 0.00 177.57 177.27 1ywx h LEU 43 N -0.68 0.00 -3.07 2.57 3.38 0.23 -3.48 115.31 114.25 1ywx h LEU 43 Ca -0.02 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.63 1ywx h LEU 43 Cb 0.51 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.31 1ywx h LEU 43 CO 0.03 0.60 -0.72 -3.20 0.09 0.00 0.00 178.44 175.24 1ywx n ASN 44 N -3.48 -5.98 -1.24 -0.43 5.15 0.50 -5.00 115.26 104.79 1ywx n ASN 44 Ca 0.00 -0.73 -0.01 0.00 -0.60 0.00 0.00 54.58 53.24 1ywx n ASN 44 Cb 0.68 -3.60 -0.00 0.00 -0.53 0.00 0.00 39.78 36.32 1ywx n ASN 44 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ywx n ALA 45 N -3.11 0.03 -1.92 5.20 0.00 -1.18 -5.04 120.51 114.48 1ywx n ALA 45 Ca -0.12 -0.10 -0.43 0.00 0.00 0.00 0.00 53.44 52.79 1ywx n ALA 45 Cb 0.59 0.08 -0.03 0.00 0.00 0.00 0.00 19.45 20.09 1ywx n ALA 45 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ywx s ASN 46 N -1.12 5.77 0.54 0.00 2.47 -1.26 -4.81 114.94 116.52 1ywx s ASN 46 Ca 0.02 1.37 0.32 0.00 0.42 0.00 0.00 52.86 54.99 1ywx s ASN 46 Cb 0.00 -2.52 1.40 0.00 -1.45 0.00 0.00 41.25 38.68 1ywx s ASN 46 CO 0.01 -1.79 2.01 0.07 -3.72 0.00 0.00 177.10 173.68 1ywx h LYS 47 N 13.44 0.00 0.28 0.43 2.10 -1.94 -2.95 116.57 127.93 1ywx h LYS 47 Ca -0.35 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.29 1ywx h LYS 47 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1ywx h LYS 47 CO 1.03 0.07 -0.13 1.96 -2.00 0.00 0.00 179.45 180.37 1ywx h GLN 48 N 0.00 -0.36 -2.37 0.07 4.20 -2.03 -3.23 115.11 111.39 1ywx h GLN 48 Ca -0.00 0.02 -0.71 0.00 0.06 0.00 0.00 58.65 58.02 1ywx h GLN 48 Cb 0.48 0.08 -0.34 0.00 0.30 0.00 0.00 27.48 28.00 1ywx h GLN 48 CO 0.01 -0.17 0.24 1.33 -0.67 0.00 0.00 178.83 179.57 1ywx n VAL 49 N -5.21 4.51 -4.09 -0.54 0.24 -1.12 -4.98 118.33 107.14 1ywx n VAL 49 Ca -0.10 -5.75 -0.17 0.00 -2.04 0.00 0.00 64.34 56.29 1ywx n VAL 49 Cb 0.20 -1.68 -0.15 0.00 -1.47 0.00 0.00 33.84 30.73 1ywx n VAL 49 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1ywx s LEU 50 N -3.52 1.66 0.30 1.34 0.20 -1.18 -4.07 118.68 113.42 1ywx s LEU 50 Ca 0.41 -0.08 -0.12 0.00 0.69 0.00 0.00 54.13 55.02 1ywx s LEU 50 Cb 0.18 -0.28 0.01 0.00 -0.43 0.00 0.00 46.19 45.67 1ywx s LEU 50 CO -0.07 -0.00 0.58 -0.69 -0.29 0.00 0.00 176.35 175.87 1ywx s VAL 51 N 0.38 0.00 0.10 1.68 1.01 -1.22 -5.00 120.40 117.35 1ywx s VAL 51 Ca -0.04 -1.31 0.05 0.00 0.00 0.00 0.00 61.98 60.68 1ywx s VAL 51 Cb -0.08 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1ywx s VAL 51 CO -0.00 0.00 0.02 -0.69 0.00 0.00 0.00 175.10 174.42 1ywx s VAL 52 N -3.46 4.09 -0.12 2.92 1.01 -1.26 -2.97 120.40 120.61 1ywx s VAL 52 Ca 0.21 -1.00 -0.09 0.00 0.00 0.00 0.00 61.98 61.10 1ywx s VAL 52 Cb -0.02 -2.97 -0.07 0.00 0.00 0.00 0.00 36.38 33.32 1ywx s VAL 52 CO 0.12 0.09 0.13 0.44 0.00 0.00 0.00 175.10 175.87 1ywx h ASP 53 N 3.29 0.00 -4.01 3.32 5.19 -0.33 -3.45 116.42 120.43 1ywx h ASP 53 Ca -0.47 -0.23 0.25 0.00 -0.62 0.00 0.00 57.03 55.95 1ywx h ASP 53 Cb 1.17 0.00 -0.21 0.00 0.18 0.00 0.00 39.33 40.47 1ywx h ASP 53 CO 0.61 0.73 0.83 -0.89 -3.12 0.00 0.00 179.24 177.40 1ywx s THR 54 N -1.89 0.00 0.24 0.35 2.01 -1.14 -4.97 115.64 110.25 1ywx s THR 54 Ca -0.09 0.00 0.01 0.00 0.31 0.00 0.00 61.69 61.92 1ywx s THR 54 Cb 0.00 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 1ywx s THR 54 CO 0.23 0.00 0.08 -0.22 -0.69 0.00 0.00 174.62 174.01 1ywx s LEU 55 N -1.87 1.75 -0.28 4.42 2.96 -1.26 0.28 118.68 124.68 1ywx s LEU 55 Ca 0.09 -1.34 -0.19 0.00 -0.22 0.00 0.00 54.13 52.46 1ywx s LEU 55 Cb -0.01 -0.01 0.09 0.00 0.50 0.00 0.00 46.19 46.76 1ywx s LEU 55 CO -0.04 -0.69 0.77 -1.81 -1.32 0.00 0.00 176.35 173.25 1ywx s ASP 56 N -3.29 -0.78 0.25 3.68 1.11 0.39 -4.92 116.67 113.12 1ywx s ASP 56 Ca 0.35 1.34 -0.30 0.00 0.18 0.00 0.00 52.55 54.12 1ywx s ASP 56 Cb 0.07 1.34 -0.09 0.00 1.07 0.00 0.00 42.92 45.31 1ywx s ASP 56 CO 0.12 -0.22 1.11 -1.58 1.18 0.00 0.00 175.17 175.78 1ywx s GLN 57 N 1.11 4.62 0.03 8.23 0.74 -1.26 0.47 119.66 133.60 1ywx s GLN 57 Ca -0.06 1.80 -0.24 0.00 0.05 0.00 0.00 55.36 56.90 1ywx s GLN 57 Cb -0.05 -3.21 -0.05 0.00 1.10 0.00 0.00 33.01 30.80 1ywx s GLN 57 CO -0.12 0.16 0.75 0.42 -0.55 0.00 0.00 175.29 175.95 1ywx s ILE 58 N -0.90 4.78 0.05 -2.34 -1.09 0.50 -4.86 121.20 117.34 1ywx s ILE 58 Ca 0.46 1.59 -0.08 0.00 -2.23 0.00 0.00 60.65 60.39 1ywx s ILE 58 Cb -0.32 -4.09 -0.31 0.00 -1.58 0.00 0.00 42.46 36.16 1ywx s ILE 58 CO 0.40 0.36 1.04 0.15 -1.23 0.00 0.00 174.94 175.65 1ywx h PHE 59 N 5.78 0.64 -0.79 3.97 3.57 -1.95 -3.32 116.94 124.83 1ywx h PHE 59 Ca -0.44 -0.47 0.19 0.00 3.53 0.00 0.00 57.97 60.78 1ywx h PHE 59 Cb 1.20 -0.03 -0.12 0.00 2.79 0.00 0.00 35.95 39.80 1ywx h PHE 59 CO 0.65 1.40 0.19 0.78 -2.23 0.00 0.00 178.31 179.10 1ywx h GLY 60 N 1.15 1.14 0.00 2.40 0.00 -1.95 -3.45 103.07 102.36 1ywx h GLY 60 Ca -0.19 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1ywx h GLY 60 CO 0.22 -0.26 0.00 0.58 0.00 0.00 0.00 176.54 177.08 1ywx n LYS 61 N -5.19 0.00 -1.26 4.80 2.85 -1.25 -5.02 118.16 113.10 1ywx n LYS 61 Ca 0.17 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 57.12 1ywx n LYS 61 Cb 0.54 0.00 0.10 0.00 -0.65 0.00 0.00 35.03 35.02 1ywx n LYS 61 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1ywx n LEU 62 N 0.00 7.35 -4.99 -5.58 4.77 -1.26 -4.56 117.00 112.73 1ywx n LEU 62 Ca 0.00 -4.03 -0.20 0.00 -0.03 0.00 0.00 56.01 51.75 1ywx n LEU 62 Cb 0.00 -0.95 0.04 0.00 -2.33 0.00 0.00 43.42 40.18 1ywx n LEU 62 CO 0.00 1.35 0.34 -0.70 -1.33 0.00 0.00 177.39 177.05 1ywx s GLU 63 N -3.50 2.46 -0.23 3.23 2.12 -1.26 -2.16 118.70 119.36 1ywx s GLU 63 Ca 0.60 -1.01 -0.09 0.00 0.36 0.00 0.00 54.97 54.83 1ywx s GLU 63 Cb 0.47 -2.54 0.10 0.00 0.26 0.00 0.00 34.13 32.43 1ywx s GLU 63 CO 0.02 -0.74 0.52 0.00 -0.54 0.00 0.00 175.26 174.51 1ywx s ALA 64 N -2.72 -1.49 -0.05 6.30 0.00 0.16 0.19 121.76 124.14 1ywx s ALA 64 Ca 0.59 1.86 -0.03 0.00 0.00 0.00 0.00 51.96 54.37 1ywx s ALA 64 Cb -0.09 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.56 1ywx s ALA 64 CO 0.38 -0.72 0.13 -2.00 0.00 0.00 0.00 175.76 173.55 1ywx s GLU 65 N 2.47 3.30 0.24 0.00 2.12 0.18 0.51 118.70 127.52 1ywx s GLU 65 Ca -0.05 -0.31 -0.20 0.00 0.36 0.00 0.00 54.97 54.77 1ywx s GLU 65 Cb -0.11 -3.04 0.03 0.00 0.26 0.00 0.00 34.13 31.27 1ywx s GLU 65 CO -0.15 0.70 0.63 0.20 -0.54 0.00 0.00 175.26 176.10 1ywx s GLY 66 N -1.51 -0.13 -0.03 -1.50 0.00 -1.01 0.15 107.32 103.29 1ywx s GLY 66 Ca 0.21 -0.20 0.07 0.00 0.00 0.00 0.00 44.72 44.80 1ywx s GLY 66 CO 0.11 -0.13 -0.25 -0.47 0.00 0.00 0.00 173.10 172.36 1ywx s TYR 67 N -3.89 2.33 -0.13 1.90 6.14 0.14 -2.54 117.35 121.30 1ywx s TYR 67 Ca 0.10 -0.54 -0.02 0.00 0.64 0.00 0.00 57.07 57.25 1ywx s TYR 67 Cb -0.03 -1.51 -0.02 0.00 0.42 0.00 0.00 41.96 40.81 1ywx s TYR 67 CO 0.01 -0.11 -0.08 0.00 0.64 0.00 0.00 175.55 176.02 1ywx s ALA 68 N -0.43 2.84 0.04 3.97 0.00 0.07 0.44 121.76 128.70 1ywx s ALA 68 Ca 0.05 -0.86 0.07 0.00 0.00 0.00 0.00 51.96 51.23 1ywx s ALA 68 Cb -0.11 -1.38 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 1ywx s ALA 68 CO 0.01 0.28 -0.21 0.21 0.00 0.00 0.00 175.76 176.04 1ywx s LYS 69 N 0.21 1.43 -0.02 0.00 2.36 -1.16 -0.74 119.74 121.83 1ywx s LYS 69 Ca -0.05 -0.96 0.01 0.00 -2.55 0.00 0.00 55.97 52.42 1ywx s LYS 69 Cb -0.14 -1.55 0.01 0.00 -1.05 0.00 0.00 37.83 35.10 1ywx s LYS 69 CO 0.04 0.40 -0.02 0.42 1.55 0.00 0.00 175.35 177.74 1ywx s ILE 70 N -0.80 0.24 0.08 5.43 1.01 0.58 -3.39 121.20 124.35 1ywx s ILE 70 Ca 0.08 -0.04 0.07 0.00 0.00 0.00 0.00 60.65 60.76 1ywx s ILE 70 Cb -0.09 -0.27 -0.04 0.00 0.01 0.00 0.00 42.46 42.08 1ywx s ILE 70 CO 0.02 0.11 -0.13 -0.72 0.00 0.00 0.00 174.94 174.22 1ywx s TYR 71 N 0.46 2.67 -0.03 3.97 1.13 -1.26 0.19 117.35 124.48 1ywx s TYR 71 Ca -0.05 -0.19 -0.17 0.00 -1.41 0.00 0.00 57.07 55.25 1ywx s TYR 71 Cb -0.08 -1.44 -0.32 0.00 -1.10 0.00 0.00 41.96 39.02 1ywx s TYR 71 CO -0.01 0.37 0.83 -0.91 -2.51 0.00 0.00 175.55 173.32 1ywx h ASN 72 N 3.97 0.60 -3.38 -0.18 2.35 -1.91 -3.45 115.58 113.57 1ywx h ASN 72 Ca -0.49 -0.92 -0.43 0.00 -0.55 0.00 0.00 56.30 53.91 1ywx h ASN 72 Cb 1.16 -0.20 -0.35 0.00 0.05 0.00 0.00 38.32 38.99 1ywx h ASN 72 CO 0.50 1.60 -0.77 -1.81 -1.65 0.00 0.00 177.43 175.29 1ywx s ASP 73 N -7.24 1.25 0.54 5.81 1.11 -1.26 -5.00 116.67 111.88 1ywx s ASP 73 Ca -0.14 -0.14 0.30 0.00 0.18 0.00 0.00 52.55 52.75 1ywx s ASP 73 Cb 0.03 -0.49 1.57 0.00 1.07 0.00 0.00 42.92 45.10 1ywx s ASP 73 CO 0.86 -0.09 2.11 -0.33 1.18 0.00 0.00 175.17 178.90 1ywx h GLU 74 N 7.56 0.00 -0.65 8.23 5.08 -1.95 -2.34 114.58 130.51 1ywx h GLU 74 Ca -0.32 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.13 1ywx h GLU 74 Cb 1.14 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.32 1ywx h GLU 74 CO 0.41 0.09 0.28 0.87 -1.00 0.00 0.00 179.01 179.66 1ywx h LYS 75 N 0.00 0.47 0.14 2.33 6.56 -1.97 1.69 116.57 125.80 1ywx h LYS 75 Ca -0.00 -0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.55 1ywx h LYS 75 Cb 0.28 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 31.84 1ywx h LYS 75 CO 0.01 0.31 -0.07 0.00 -2.06 0.00 0.00 179.45 177.65 1ywx h ALA 76 N 1.42 -0.19 -0.10 3.86 0.00 -1.81 -3.04 119.26 119.41 1ywx h ALA 76 Ca 0.33 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1ywx h ALA 76 Cb 0.38 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1ywx h ALA 76 CO -0.29 -0.35 -0.18 1.98 0.00 0.00 0.00 179.25 180.41 1ywx h MET 77 N -0.70 -0.24 -1.26 0.00 1.85 -1.27 1.29 114.93 114.61 1ywx h MET 77 Ca -0.02 0.02 0.36 0.00 -0.61 0.00 0.00 59.70 59.45 1ywx h MET 77 Cb 0.51 0.05 -0.06 0.00 0.43 0.00 0.00 31.60 32.54 1ywx h MET 77 CO 0.03 -0.16 0.90 0.00 -0.40 0.00 0.00 176.91 177.28 1ywx h ALA 78 N 0.75 3.12 0.00 0.39 0.00 0.25 0.24 119.26 124.01 1ywx h ALA 78 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ywx h ALA 78 Cb 0.37 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ywx h ALA 78 CO -0.24 -1.50 -0.32 2.41 0.00 0.00 0.00 179.25 179.61 1ywx n THR 79 N -4.20 0.86 0.00 0.00 -1.04 0.25 -4.63 114.28 105.52 1ywx n THR 79 Ca 0.28 0.33 0.00 0.00 -2.04 0.00 0.00 64.05 62.61 1ywx n THR 79 Cb 1.30 -2.04 0.00 0.00 -1.82 0.00 0.00 70.33 67.77 1ywx n THR 79 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1ywx n ILE 80 N -3.69 0.00 -0.44 12.58 5.41 0.42 -4.60 119.36 129.04 1ywx n ILE 80 Ca -0.04 1.34 -0.19 0.00 1.00 0.00 0.00 62.75 64.86 1ywx n ILE 80 Cb 0.17 -1.98 0.18 0.00 -0.71 0.00 0.00 39.64 37.29 1ywx n ILE 80 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1ywx n GLU 81 N -2.14 -2.94 0.00 0.38 4.71 0.78 -5.04 120.64 116.39 1ywx n GLU 81 Ca 0.00 -0.87 0.00 0.00 -0.01 0.00 0.00 57.16 56.28 1ywx n GLU 81 Cb 0.00 -1.55 0.00 0.00 -1.01 0.00 0.00 31.44 28.88 1ywx n GLU 81 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1ywx n THR 82 N -4.72 0.00 0.12 2.62 -2.24 -1.26 -4.84 114.28 103.95 1ywx n THR 82 Ca 0.08 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.89 1ywx n THR 82 Cb 0.37 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.60 1ywx n THR 82 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1ywx h LYS 83 N 0.00 0.00 -0.42 -0.78 -0.00 -1.96 -2.71 116.57 110.70 1ywx h LYS 83 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 60.65 60.52 1ywx h LYS 83 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.22 1ywx h LYS 83 CO 0.00 0.38 -0.27 1.03 -0.00 0.00 0.00 179.45 180.59 1ywx h SER 84 N 0.00 0.93 0.11 7.07 0.87 -1.98 -0.39 113.55 120.16 1ywx h SER 84 Ca -0.04 -0.37 -0.01 0.00 -1.23 0.00 0.00 61.79 60.14 1ywx h SER 84 Cb 1.39 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1ywx h SER 84 CO 0.05 1.13 -0.05 0.58 -0.53 0.00 0.00 176.83 178.01 1ywx h VAL 85 N 0.76 0.00 -0.60 2.23 2.07 -1.96 -3.22 116.25 115.54 1ywx h VAL 85 Ca 0.09 -0.34 0.17 0.00 0.82 0.00 0.00 66.70 67.44 1ywx h VAL 85 Cb 0.83 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 1ywx h VAL 85 CO 0.07 0.00 0.75 -0.07 0.02 0.00 0.00 177.57 178.34 1ywx h LEU 86 N -0.49 0.00 0.02 2.57 4.07 -1.59 0.30 115.31 120.20 1ywx h LEU 86 Ca -0.01 0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.97 1ywx h LEU 86 Cb 0.11 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.82 1ywx h LEU 86 CO 0.02 0.00 -0.15 -0.33 -1.08 0.00 0.00 178.44 176.90 1ywx h GLU 87 N 0.00 -0.26 -0.24 1.13 4.39 -1.06 -1.56 114.58 116.98 1ywx h GLU 87 Ca 0.28 0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.94 1ywx h GLU 87 Cb 1.77 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 30.46 1ywx h GLU 87 CO -0.00 -0.17 -0.13 1.57 -1.16 0.00 0.00 179.01 179.11 1ywx h LYS 88 N -0.27 0.40 -6.35 2.33 -0.00 -0.46 -3.40 116.57 108.82 1ywx h LYS 88 Ca 0.04 -0.11 -0.57 0.00 -0.00 0.00 0.00 60.65 60.01 1ywx h LYS 88 Cb 0.32 -0.05 -0.04 0.00 -0.00 0.00 0.00 32.23 32.47 1ywx h LYS 88 CO -0.13 0.54 1.21 -0.80 -0.00 0.00 0.00 179.45 180.27 1ywx s ASN 89 N -6.81 6.02 1.00 7.07 -0.87 -0.59 -4.94 114.94 115.82 1ywx s ASN 89 Ca -0.06 1.16 -0.18 0.00 -1.57 0.00 0.00 52.86 52.20 1ywx s ASN 89 Cb 0.15 -2.53 -0.13 0.00 -0.02 0.00 0.00 41.25 38.72 1ywx s ASN 89 CO 0.76 -1.63 -0.74 0.29 -2.57 0.00 0.00 177.10 173.21 1ywx n LYS 90 N 8.33 -0.07 -0.33 -0.60 5.02 -1.26 -4.77 118.16 124.47 1ywx n LYS 90 Ca 0.21 -0.02 -0.12 0.00 -2.02 0.00 0.00 58.31 56.37 1ywx n LYS 90 Cb 0.47 -1.12 -0.10 0.00 -0.02 0.00 0.00 35.03 34.26 1ywx n LYS 90 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1ywx h ILE 91 N -1.09 0.00 -3.84 -0.18 1.08 -1.91 -3.47 117.51 108.09 1ywx h ILE 91 Ca -0.44 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.03 1ywx h ILE 91 Cb 1.31 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.06 1ywx h ILE 91 CO 0.24 0.00 -0.99 1.21 -0.69 0.00 0.00 178.15 177.93 1ywx n GLU 92 N -5.23 -4.24 -0.66 2.37 2.13 -1.26 -4.97 120.64 108.77 1ywx n GLU 92 Ca 0.00 3.28 -0.08 0.00 0.66 0.00 0.00 57.16 61.02 1ywx n GLU 92 Cb 0.28 -4.08 0.06 0.00 0.27 0.00 0.00 31.44 27.96 1ywx n GLU 92 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1ywx n GLU 93 N -2.52 -0.25 0.00 5.31 0.28 -1.26 -5.11 120.64 117.10 1ywx n GLU 93 Ca 0.00 -0.64 0.00 0.00 -0.16 0.00 0.00 57.16 56.36 1ywx n GLU 93 Cb 0.46 -0.37 0.00 0.00 1.43 0.00 0.00 31.44 32.96 1ywx n GLU 93 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 1ywx n GLU 94 N -1.78 2.65 0.00 3.44 0.28 -1.26 -5.10 120.64 118.87 1ywx n GLU 94 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.05 1ywx n GLU 94 Cb 0.17 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.04 1ywx n GLU 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1ywx n ALA 95 N -3.00 0.00 -0.04 -1.84 0.00 -1.26 -5.07 120.51 109.30 1ywx n ALA 95 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1ywx n ALA 95 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1ywx n ALA 95 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ywx h GLU 96 N 0.00 -0.16 -3.56 0.00 5.08 -2.06 -3.48 114.58 110.39 1ywx h GLU 96 Ca 0.00 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1ywx h GLU 96 Cb 0.00 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 1ywx h GLU 96 CO 0.00 -0.11 -0.99 0.00 -1.00 0.00 0.00 179.01 176.91 1ywx n ALA 97 N -2.82 -2.23 0.00 3.43 0.00 -1.26 -5.04 120.51 112.60 1ywx n ALA 97 Ca -0.02 0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.97 1ywx n ALA 97 Cb 0.13 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1ywx n ALA 97 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1ywx n GLU 98 N -2.89 0.00 -1.46 0.00 2.13 -1.26 -5.09 120.64 112.07 1ywx n GLU 98 Ca -0.02 0.00 -0.52 0.00 0.66 0.00 0.00 57.16 57.28 1ywx n GLU 98 Cb 0.50 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.14 1ywx n GLU 98 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1ywx n VAL 99 N -1.67 0.20 0.00 6.31 0.24 -1.26 -4.12 118.33 118.03 1ywx n VAL 99 Ca 0.00 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 1ywx n VAL 99 Cb 0.00 -1.49 0.00 0.00 -1.47 0.00 0.00 33.84 30.88 1ywx n VAL 99 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ywx n ALA 100 N 9.03 0.00 -3.79 2.33 0.00 -1.26 -5.17 120.51 121.65 1ywx n ALA 100 Ca 0.40 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.81 1ywx n ALA 100 Cb 0.19 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.64 1ywx n ALA 100 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ywx s GLU 101 N -0.68 1.29 0.00 0.00 2.12 -1.26 -5.36 118.70 114.81 1ywx s GLU 101 Ca 0.00 -0.76 0.00 0.00 0.36 0.00 0.00 54.97 54.57 1ywx s GLU 101 Cb 0.00 0.41 0.00 0.00 0.26 0.00 0.00 34.13 34.80 1ywx s GLU 101 CO 0.00 -0.60 0.00 0.39 -0.54 0.00 0.00 175.26 174.51