#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 5.23 -0.00 7.83 1.11 -1.16 -4.99 116.67 124.68 1ywx s ASP 2 Ca 0.00 -1.09 0.03 0.00 0.18 0.00 0.00 52.55 51.67 1ywx s ASP 2 Cb 0.00 -1.85 -0.03 0.00 1.07 0.00 0.00 42.92 42.11 1ywx s ASP 2 CO 0.00 -0.30 -0.08 -0.63 1.18 0.00 0.00 175.17 175.34 1ywx s ILE 3 N 1.40 3.58 -0.09 0.77 1.01 -1.26 0.68 121.20 127.29 1ywx s ILE 3 Ca -0.01 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.88 1ywx s ILE 3 Cb -0.19 -2.54 0.01 0.00 0.01 0.00 0.00 42.46 39.75 1ywx s ILE 3 CO 0.02 0.42 -0.13 -0.55 0.00 0.00 0.00 174.94 174.70 1ywx s SER 4 N -1.34 2.16 0.07 3.58 0.15 0.25 -4.93 113.70 113.65 1ywx s SER 4 Ca 0.16 -0.36 -0.30 0.00 0.70 0.00 0.00 55.95 56.15 1ywx s SER 4 Cb -0.11 -0.96 -0.05 0.00 -1.71 0.00 0.00 66.02 63.19 1ywx s SER 4 CO 0.07 0.01 0.99 -0.63 1.20 0.00 0.00 173.24 174.88 1ywx s ILE 5 N 0.93 4.59 -0.16 6.45 -1.09 -1.26 0.13 121.20 130.78 1ywx s ILE 5 Ca -0.09 2.01 -0.12 0.00 -2.23 0.00 0.00 60.65 60.22 1ywx s ILE 5 Cb -0.15 -4.29 -0.06 0.00 -1.58 0.00 0.00 42.46 36.39 1ywx s ILE 5 CO 0.00 0.24 -0.16 -0.38 -1.23 0.00 0.00 174.94 173.41 1ywx n ILE 6 N 3.27 1.44 -4.07 2.92 2.08 0.22 -4.92 119.36 120.30 1ywx n ILE 6 Ca 0.04 0.16 -0.09 0.00 0.56 0.00 0.00 62.75 63.43 1ywx n ILE 6 Cb 0.50 -2.34 -0.09 0.00 -0.75 0.00 0.00 39.64 36.96 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 -5.93 0.28 -0.35 4.38 0.01 -1.09 -5.01 113.70 105.99 1ywx s SER 7 Ca -0.19 -1.03 -0.00 0.00 1.31 0.00 0.00 55.95 56.04 1ywx s SER 7 Cb 0.03 0.30 0.12 0.00 0.21 0.00 0.00 66.02 66.68 1ywx s SER 7 CO 0.30 -0.73 0.17 1.51 0.41 0.00 0.00 173.24 174.90 1ywx s ASP 8 N -2.98 3.63 0.20 2.44 -4.77 -1.26 -2.28 116.67 111.65 1ywx s ASP 8 Ca 0.16 -1.99 0.05 0.00 -3.30 0.00 0.00 52.55 47.47 1ywx s ASP 8 Cb 0.07 -0.75 -0.04 0.00 -1.09 0.00 0.00 42.92 41.11 1ywx s ASP 8 CO -0.03 -0.35 0.23 -0.13 0.70 0.00 0.00 175.17 175.58 1ywx s ARG 9 N 1.20 3.12 -0.03 2.11 1.81 -0.04 -5.02 118.95 122.09 1ywx s ARG 9 Ca 0.14 -0.85 0.03 0.00 -1.72 0.00 0.00 55.73 53.32 1ywx s ARG 9 Cb -0.20 -2.73 0.00 0.00 -0.45 0.00 0.00 34.95 31.57 1ywx s ARG 9 CO -0.14 0.46 -0.10 1.21 -0.68 0.00 0.00 175.30 176.05 1ywx s ASN 10 N -3.52 1.41 -0.48 0.23 2.47 -1.26 -2.88 114.94 110.91 1ywx s ASN 10 Ca 0.33 -0.22 0.03 0.00 0.42 0.00 0.00 52.86 53.42 1ywx s ASN 10 Cb -0.09 -0.44 0.13 0.00 -1.45 0.00 0.00 41.25 39.40 1ywx s ASN 10 CO 0.26 0.07 0.23 0.20 -3.72 0.00 0.00 177.10 174.13 1ywx s ASN 11 N 0.27 4.21 0.12 -4.21 0.01 -0.51 -4.90 114.94 109.94 1ywx s ASN 11 Ca -0.05 -2.80 -0.07 0.00 -0.71 0.00 0.00 52.86 49.23 1ywx s ASN 11 Cb -0.10 -1.49 -0.10 0.00 0.41 0.00 0.00 41.25 39.97 1ywx s ASN 11 CO 0.01 -0.26 1.31 1.55 -1.51 0.00 0.00 177.10 178.20 1ywx h PRO 12 N 6.72 0.53 -0.38 -0.60 0.13 -1.93 1.50 132.00 137.97 1ywx h PRO 12 Ca -0.06 -0.52 0.04 0.00 -0.87 0.00 0.00 66.00 64.59 1ywx h PRO 12 Cb 0.92 0.13 -0.07 0.00 0.13 0.00 0.00 31.00 32.11 1ywx h PRO 12 CO 0.62 1.15 -0.43 -0.07 -0.23 0.00 0.00 178.00 179.04 1ywx h LEU 13 N 0.33 -1.45 -2.88 1.56 4.07 -1.91 0.50 115.31 115.53 1ywx h LEU 13 Ca -0.08 0.19 -0.14 0.00 0.08 0.00 0.00 57.88 57.94 1ywx h LEU 13 Cb 1.52 0.60 -0.08 0.00 1.08 0.00 0.00 40.66 43.78 1ywx h LEU 13 CO 0.16 -0.28 0.18 0.18 -1.08 0.00 0.00 178.44 177.60 1ywx n LEU 14 N -4.71 4.56 -3.42 1.67 4.77 -1.25 -4.86 117.00 113.75 1ywx n LEU 14 Ca -0.02 -2.36 -0.22 0.00 -0.03 0.00 0.00 56.01 53.38 1ywx n LEU 14 Cb 0.25 -0.66 -0.04 0.00 -2.33 0.00 0.00 43.42 40.64 1ywx n LEU 14 CO -0.01 0.64 -0.08 0.00 -1.33 0.00 0.00 177.39 176.60 1ywx n GLN 15 N -0.00 -1.62 -3.86 3.23 6.02 0.18 -4.83 117.38 116.50 1ywx n GLN 15 Ca 0.26 0.07 -0.26 0.00 -0.01 0.00 0.00 57.00 57.07 1ywx n GLN 15 Cb 1.01 -4.18 -0.01 0.00 1.02 0.00 0.00 30.24 28.08 1ywx n GLN 15 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1ywx s ARG 16 N -5.74 2.27 -0.02 -1.09 0.52 0.51 -2.28 118.95 113.11 1ywx s ARG 16 Ca 0.43 -1.97 -0.00 0.00 -0.52 0.00 0.00 55.73 53.67 1ywx s ARG 16 Cb -0.25 -2.12 0.03 0.00 0.52 0.00 0.00 34.95 33.12 1ywx s ARG 16 CO 0.53 -0.57 0.03 0.50 0.02 0.00 0.00 175.30 175.81 1ywx s ARG 17 N -4.26 0.02 -0.35 3.54 3.52 0.69 -1.43 118.95 120.69 1ywx s ARG 17 Ca 0.36 0.19 0.00 0.00 -0.13 0.00 0.00 55.73 56.15 1ywx s ARG 17 Cb -0.02 -0.33 0.09 0.00 -1.56 0.00 0.00 34.95 33.13 1ywx s ARG 17 CO 0.22 -0.18 0.07 -1.21 -0.81 0.00 0.00 175.30 173.39 1ywx s GLU 18 N 1.21 1.94 -0.09 5.12 2.02 -1.14 -2.63 118.70 125.12 1ywx s GLU 18 Ca -0.07 -1.67 0.02 0.00 0.02 0.00 0.00 54.97 53.27 1ywx s GLU 18 Cb -0.13 -3.29 0.01 0.00 0.10 0.00 0.00 34.13 30.82 1ywx s GLU 18 CO -0.03 -0.88 -0.17 0.42 0.02 0.00 0.00 175.26 174.63 1ywx s ILE 19 N 1.08 1.55 0.01 -1.63 1.01 -1.07 -0.86 121.20 121.30 1ywx s ILE 19 Ca 0.04 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 60.00 1ywx s ILE 19 Cb -0.21 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 1ywx s ILE 19 CO -0.05 0.45 0.05 -0.54 0.00 0.00 0.00 174.94 174.85 1ywx s LYS 20 N 0.72 2.91 0.39 2.79 -0.14 -0.96 -1.52 119.74 123.92 1ywx s LYS 20 Ca -0.12 -0.58 -0.15 0.00 -1.36 0.00 0.00 55.97 53.75 1ywx s LYS 20 Cb -0.16 -2.75 0.06 0.00 -1.68 0.00 0.00 37.83 33.30 1ywx s LYS 20 CO 0.03 0.62 0.81 1.97 -0.76 0.00 0.00 175.35 178.02 1ywx n PHE 21 N 1.11 -2.32 -4.22 3.18 1.16 -1.12 -0.61 117.46 114.64 1ywx n PHE 21 Ca -0.13 -1.84 -0.13 0.00 -1.87 0.00 0.00 57.45 53.49 1ywx n PHE 21 Cb 0.52 0.92 -0.10 0.00 -1.61 0.00 0.00 39.48 39.21 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 -2.09 0.92 -0.05 1.97 2.01 0.34 -2.56 115.64 116.18 1ywx s THR 22 Ca 0.16 -2.00 0.01 0.00 0.31 0.00 0.00 61.69 60.17 1ywx s THR 22 Cb -0.05 -1.84 0.02 0.00 0.01 0.00 0.00 72.50 70.64 1ywx s THR 22 CO 0.12 -0.74 -0.06 0.54 -0.69 0.00 0.00 174.62 173.78 1ywx s VAL 23 N -3.49 0.67 -0.04 3.82 0.11 0.49 -0.58 120.40 121.38 1ywx s VAL 23 Ca 0.16 -0.20 0.02 0.00 -2.93 0.00 0.00 61.98 59.04 1ywx s VAL 23 Cb 0.04 -0.67 -0.03 0.00 -1.53 0.00 0.00 36.38 34.19 1ywx s VAL 23 CO -0.01 0.26 -0.08 -0.55 -3.33 0.00 0.00 175.10 171.39 1ywx s SER 24 N 0.90 4.58 -0.26 3.54 0.15 0.21 0.17 113.70 122.99 1ywx s SER 24 Ca -0.11 -0.08 -0.31 0.00 0.70 0.00 0.00 55.95 56.15 1ywx s SER 24 Cb -0.15 -1.10 0.17 0.00 -1.71 0.00 0.00 66.02 63.23 1ywx s SER 24 CO 0.01 0.33 1.29 0.72 1.20 0.00 0.00 173.24 176.79 1ywx s PHE 25 N -0.87 -0.09 -0.39 3.44 -0.12 -1.07 -3.01 117.98 115.88 1ywx s PHE 25 Ca 0.14 0.14 0.01 0.00 -0.05 0.00 0.00 56.93 57.16 1ywx s PHE 25 Cb -0.11 0.49 0.12 0.00 -0.63 0.00 0.00 43.02 42.90 1ywx s PHE 25 CO 0.03 -0.10 0.19 -0.51 -0.05 0.00 0.00 175.22 174.78 1ywx s ASP 26 N -1.31 3.68 0.00 1.98 1.01 -1.26 -4.55 116.67 116.22 1ywx s ASP 26 Ca 0.08 -2.25 0.00 0.00 0.71 0.00 0.00 52.55 51.09 1ywx s ASP 26 Cb -0.01 -0.89 0.00 0.00 1.01 0.00 0.00 42.92 43.03 1ywx s ASP 26 CO -0.06 -0.32 0.00 0.00 0.21 0.00 0.00 175.17 175.00 1ywx n ALA 27 N 4.03 0.00 -3.62 5.23 0.00 -1.26 -5.12 120.51 119.77 1ywx n ALA 27 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.38 1ywx n ALA 27 Cb 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 1ywx n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ywx s ALA 28 N -0.35 -1.87 0.32 0.00 0.00 -1.26 -4.92 121.76 113.68 1ywx s ALA 28 Ca 0.00 1.87 -0.27 0.00 0.00 0.00 0.00 51.96 53.57 1ywx s ALA 28 Cb 0.00 -1.16 -0.10 0.00 0.00 0.00 0.00 23.12 21.87 1ywx s ALA 28 CO 0.00 -0.30 0.99 -0.08 0.00 0.00 0.00 175.76 176.37 1ywx s THR 29 N 0.07 3.98 0.00 0.00 -1.32 -1.26 -5.05 115.64 112.07 1ywx s THR 29 Ca 0.00 1.70 0.00 0.00 -1.21 0.00 0.00 61.69 62.19 1ywx s THR 29 Cb -0.04 -3.97 0.00 0.00 -1.51 0.00 0.00 72.50 66.98 1ywx s THR 29 CO -0.01 0.19 0.00 -0.81 -2.21 0.00 0.00 174.62 171.78 1ywx n PRO 30 N 0.63 0.70 -2.01 7.08 -0.04 -1.26 -5.09 135.00 135.00 1ywx n PRO 30 Ca 0.02 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.38 1ywx n PRO 30 Cb 0.49 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.98 1ywx n PRO 30 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ywx n SER 31 N -0.61 1.08 0.11 3.54 7.64 -1.26 -4.94 113.62 119.18 1ywx n SER 31 Ca 0.00 -1.76 -0.10 0.00 1.01 0.00 0.00 58.87 58.02 1ywx n SER 31 Cb 0.00 -0.19 -0.06 0.00 -1.01 0.00 0.00 64.21 62.94 1ywx n SER 31 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1ywx h ILE 32 N 0.08 0.53 -0.53 0.44 2.04 -1.98 -1.00 117.51 117.09 1ywx h ILE 32 Ca -0.13 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 64.81 1ywx h ILE 32 Cb 0.61 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1ywx h ILE 32 CO 0.19 0.13 0.28 0.11 0.00 0.00 0.00 178.15 178.86 1ywx h LYS 33 N -0.95 0.75 -0.37 2.37 6.56 -1.98 0.61 116.57 123.57 1ywx h LYS 33 Ca -0.04 -0.10 0.04 0.00 -1.06 0.00 0.00 60.65 59.49 1ywx h LYS 33 Cb 0.48 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 31.98 1ywx h LYS 33 CO 0.06 0.60 0.25 0.22 -2.06 0.00 0.00 179.45 178.52 1ywx h ASP 34 N 0.71 0.30 0.07 0.86 -0.00 -1.96 -1.65 116.42 114.76 1ywx h ASP 34 Ca 0.19 -0.00 -0.14 0.00 -0.00 0.00 0.00 57.03 57.08 1ywx h ASP 34 Cb 0.08 -0.07 0.01 0.00 -0.00 0.00 0.00 39.33 39.35 1ywx h ASP 34 CO -0.03 0.21 -0.57 0.58 -0.00 0.00 0.00 179.24 179.43 1ywx h VAL 35 N 0.35 1.54 -1.03 2.25 2.07 0.01 -3.19 116.25 118.25 1ywx h VAL 35 Ca 0.15 -2.32 0.30 0.00 0.82 0.00 0.00 66.70 65.65 1ywx h VAL 35 Cb 0.18 3.03 -0.04 0.00 -1.52 0.00 0.00 31.29 32.93 1ywx h VAL 35 CO -0.03 0.65 0.76 0.07 0.02 0.00 0.00 177.57 179.03 1ywx h LYS 36 N -0.41 0.00 0.03 1.57 2.10 0.10 0.66 116.57 120.62 1ywx h LYS 36 Ca -0.09 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.59 1ywx h LYS 36 Cb 1.38 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.66 1ywx h LYS 36 CO 0.11 0.00 -0.41 0.52 -2.00 0.00 0.00 179.45 177.67 1ywx h MET 37 N 0.00 -0.57 -0.01 0.07 2.86 -1.32 1.44 114.93 117.40 1ywx h MET 37 Ca 0.49 0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 58.13 1ywx h MET 37 Cb 2.00 0.13 0.00 0.00 0.06 0.00 0.00 31.60 33.79 1ywx h MET 37 CO -0.01 -0.38 -0.13 0.87 1.06 0.00 0.00 176.91 178.33 1ywx h LYS 38 N -0.59 0.11 -0.94 1.72 6.56 -1.19 -3.11 116.57 119.12 1ywx h LYS 38 Ca 0.04 -0.10 0.24 0.00 -1.06 0.00 0.00 60.65 59.77 1ywx h LYS 38 Cb 0.65 0.03 -0.06 0.00 -0.57 0.00 0.00 32.23 32.28 1ywx h LYS 38 CO -0.29 0.82 0.63 -0.07 -2.06 0.00 0.00 179.45 178.48 1ywx h LEU 39 N -0.57 0.29 -0.42 2.94 3.38 -0.83 0.84 115.31 120.94 1ywx h LEU 39 Ca -0.01 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1ywx h LEU 39 Cb 0.86 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1ywx h LEU 39 CO 0.03 0.10 0.18 0.58 0.09 0.00 0.00 178.44 179.41 1ywx h VAL 40 N 0.28 1.20 -0.00 1.22 2.07 0.20 1.47 116.25 122.69 1ywx h VAL 40 Ca 0.49 -0.59 -0.15 0.00 0.82 0.00 0.00 66.70 67.26 1ywx h VAL 40 Cb 1.43 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 1ywx h VAL 40 CO -0.15 0.22 -0.71 0.00 0.02 0.00 0.00 177.57 176.95 1ywx h ALA 41 N 1.02 0.83 0.10 1.67 0.00 -0.04 1.07 119.26 123.90 1ywx h ALA 41 Ca 0.14 -0.64 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1ywx h ALA 41 Cb 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ywx h ALA 41 CO -0.01 0.88 -0.05 0.28 0.00 0.00 0.00 179.25 180.35 1ywx h VAL 42 N 0.01 1.12 0.00 0.00 2.07 0.97 -3.23 116.25 117.19 1ywx h VAL 42 Ca -0.01 -1.27 -0.11 0.00 0.82 0.00 0.00 66.70 66.13 1ywx h VAL 42 Cb 1.25 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 32.88 1ywx h VAL 42 CO 0.09 0.29 -0.52 -0.07 0.02 0.00 0.00 177.57 177.38 1ywx h LEU 43 N -0.76 0.00 -2.85 2.57 3.38 0.20 -3.48 115.31 114.37 1ywx h LEU 43 Ca -0.01 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.57 1ywx h LEU 43 Cb 0.57 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.43 1ywx h LEU 43 CO 0.02 0.52 -0.91 -3.20 0.09 0.00 0.00 178.44 174.96 1ywx n ASN 44 N -3.56 -5.09 -1.96 -0.43 5.15 0.37 -4.99 115.26 104.76 1ywx n ASN 44 Ca -0.00 -0.92 -0.07 0.00 -0.60 0.00 0.00 54.58 52.99 1ywx n ASN 44 Cb 0.61 -3.88 -0.02 0.00 -0.53 0.00 0.00 39.78 35.96 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 -3.97 0.18 -1.87 5.20 0.00 -1.19 -5.05 120.51 113.81 1ywx n ALA 45 Ca -0.11 -0.58 -0.39 0.00 0.00 0.00 0.00 53.44 52.36 1ywx n ALA 45 Cb 0.61 0.42 -0.03 0.00 0.00 0.00 0.00 19.45 20.45 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 -1.70 5.19 0.53 0.00 3.84 -1.26 -4.79 114.94 116.75 1ywx s ASN 46 Ca 0.08 0.85 0.28 0.00 0.21 0.00 0.00 52.86 54.27 1ywx s ASN 46 Cb 0.00 -2.52 1.47 0.00 -0.55 0.00 0.00 41.25 39.66 1ywx s ASN 46 CO 0.06 -2.34 2.08 0.07 -2.79 0.00 0.00 177.10 174.17 1ywx h LYS 47 N 15.77 0.00 -0.23 0.43 5.09 -1.93 -2.44 116.57 133.26 1ywx h LYS 47 Ca -0.28 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.46 1ywx h LYS 47 Cb 1.20 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.52 1ywx h LYS 47 CO 1.15 0.11 0.13 1.96 -2.09 0.00 0.00 179.45 180.71 1ywx h GLN 48 N 0.00 0.31 -2.14 0.07 4.20 -2.02 -3.08 115.11 112.45 1ywx h GLN 48 Ca -0.00 -0.03 -0.69 0.00 0.06 0.00 0.00 58.65 57.98 1ywx h GLN 48 Cb 0.32 -0.06 -0.35 0.00 0.30 0.00 0.00 27.48 27.69 1ywx h GLN 48 CO 0.01 0.26 0.19 1.33 -0.67 0.00 0.00 178.83 179.96 1ywx n VAL 49 N -4.89 4.20 -4.12 -0.54 0.24 -0.93 -4.97 118.33 107.31 1ywx n VAL 49 Ca -0.03 -5.50 -0.17 0.00 -2.04 0.00 0.00 64.34 56.60 1ywx n VAL 49 Cb 0.06 -1.42 -0.15 0.00 -1.47 0.00 0.00 33.84 30.86 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 -3.88 1.68 0.29 1.34 0.20 -1.12 -3.89 118.68 113.30 1ywx s LEU 50 Ca 0.46 -0.09 -0.13 0.00 0.69 0.00 0.00 54.13 55.06 1ywx s LEU 50 Cb 0.28 -0.31 0.01 0.00 -0.43 0.00 0.00 46.19 45.74 1ywx s LEU 50 CO -0.18 0.00 0.56 -0.69 -0.29 0.00 0.00 176.35 175.76 1ywx s VAL 51 N 0.35 0.00 0.10 1.68 1.01 -1.18 -4.98 120.40 117.39 1ywx s VAL 51 Ca -0.04 -1.32 0.04 0.00 0.00 0.00 0.00 61.98 60.66 1ywx s VAL 51 Cb -0.07 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 1ywx s VAL 51 CO -0.00 0.00 0.05 -0.69 0.00 0.00 0.00 175.10 174.46 1ywx s VAL 52 N -3.55 4.28 -0.15 2.92 1.01 -1.26 -2.51 120.40 121.13 1ywx s VAL 52 Ca 0.21 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 1ywx s VAL 52 Cb -0.02 -3.08 -0.08 0.00 0.00 0.00 0.00 36.38 33.20 1ywx s VAL 52 CO 0.11 0.07 -0.02 0.44 0.00 0.00 0.00 175.10 175.70 1ywx h ASP 53 N 3.18 0.00 -4.56 3.32 3.45 -1.37 -3.45 116.42 116.98 1ywx h ASP 53 Ca -0.47 -0.17 0.18 0.00 0.43 0.00 0.00 57.03 57.00 1ywx h ASP 53 Cb 1.17 0.00 -0.16 0.00 -0.56 0.00 0.00 39.33 39.78 1ywx h ASP 53 CO 0.63 0.93 0.63 -0.89 -1.57 0.00 0.00 179.24 178.96 1ywx s THR 54 N -2.20 0.00 0.27 0.35 2.01 -1.20 -5.01 115.64 109.84 1ywx s THR 54 Ca -0.17 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 61.81 1ywx s THR 54 Cb 0.03 -1.08 -0.05 0.00 0.01 0.00 0.00 72.50 71.41 1ywx s THR 54 CO 0.31 0.00 0.12 -0.22 -0.69 0.00 0.00 174.62 174.14 1ywx s LEU 55 N -2.40 1.58 -0.28 4.42 2.96 -1.26 -0.81 118.68 122.89 1ywx s LEU 55 Ca 0.07 -1.44 -0.17 0.00 -0.22 0.00 0.00 54.13 52.37 1ywx s LEU 55 Cb -0.01 0.12 0.09 0.00 0.50 0.00 0.00 46.19 46.89 1ywx s LEU 55 CO -0.07 -0.80 0.73 -1.81 -1.32 0.00 0.00 176.35 173.09 1ywx s ASP 56 N -3.31 -0.87 0.27 3.68 1.01 0.31 -4.93 116.67 112.84 1ywx s ASP 56 Ca 0.37 1.42 -0.29 0.00 0.71 0.00 0.00 52.55 54.76 1ywx s ASP 56 Cb 0.07 1.37 -0.09 0.00 1.01 0.00 0.00 42.92 45.28 1ywx s ASP 56 CO 0.15 -0.23 1.04 -1.58 0.21 0.00 0.00 175.17 174.75 1ywx s GLN 57 N 1.40 4.70 -0.03 8.23 0.74 -1.26 0.52 119.66 133.95 1ywx s GLN 57 Ca -0.08 1.67 -0.22 0.00 0.05 0.00 0.00 55.36 56.77 1ywx s GLN 57 Cb -0.05 -3.18 -0.04 0.00 1.10 0.00 0.00 33.01 30.83 1ywx s GLN 57 CO -0.16 0.31 0.66 0.42 -0.55 0.00 0.00 175.29 175.97 1ywx s ILE 58 N -1.20 4.97 -0.07 -2.34 -1.09 0.51 -4.86 121.20 117.12 1ywx s ILE 58 Ca 0.44 1.37 -0.24 0.00 -2.23 0.00 0.00 60.65 59.99 1ywx s ILE 58 Cb -0.29 -4.00 -0.26 0.00 -1.58 0.00 0.00 42.46 36.33 1ywx s ILE 58 CO 0.37 0.33 0.94 0.15 -1.23 0.00 0.00 174.94 175.49 1ywx h PHE 59 N 6.24 0.31 -0.89 3.97 3.04 -1.95 -3.33 116.94 124.33 1ywx h PHE 59 Ca -0.43 -0.20 0.17 0.00 3.98 0.00 0.00 57.97 61.49 1ywx h PHE 59 Cb 1.20 -0.02 -0.16 0.00 2.56 0.00 0.00 35.95 39.52 1ywx h PHE 59 CO 0.65 1.07 -0.25 0.41 -2.02 0.00 0.00 178.31 178.17 1ywx n GLY 60 N 1.35 -1.57 0.00 2.40 0.00 -1.26 -4.71 105.19 101.39 1ywx n GLY 60 Ca -0.11 0.96 0.00 0.00 0.00 0.00 0.00 46.02 46.87 1ywx n GLY 60 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ywx n LYS 61 N -5.41 0.20 -1.27 1.61 2.85 -1.25 -5.02 118.16 109.86 1ywx n LYS 61 Ca 0.13 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 57.06 1ywx n LYS 61 Cb 0.42 0.00 0.07 0.00 -0.65 0.00 0.00 35.03 34.88 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 7.56 -5.00 -5.58 4.77 -1.26 -4.58 117.00 112.91 1ywx n LEU 62 Ca 0.00 -4.16 -0.20 0.00 -0.03 0.00 0.00 56.01 51.62 1ywx n LEU 62 Cb 0.00 -0.99 0.05 0.00 -2.33 0.00 0.00 43.42 40.14 1ywx n LEU 62 CO 0.00 1.44 0.33 -0.70 -1.33 0.00 0.00 177.39 177.13 1ywx s GLU 63 N -3.57 2.44 -0.28 3.23 2.56 -1.26 -2.59 118.70 119.24 1ywx s GLU 63 Ca 0.61 -1.12 -0.10 0.00 0.00 0.00 0.00 54.97 54.35 1ywx s GLU 63 Cb 0.48 -2.57 0.12 0.00 2.00 0.00 0.00 34.13 34.15 1ywx s GLU 63 CO -0.01 -0.73 0.61 0.00 -0.56 0.00 0.00 175.26 174.57 1ywx s ALA 64 N -2.69 -1.86 -0.05 6.30 0.00 0.13 0.19 121.76 123.78 1ywx s ALA 64 Ca 0.59 2.20 -0.03 0.00 0.00 0.00 0.00 51.96 54.72 1ywx s ALA 64 Cb -0.09 -1.65 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 1ywx s ALA 64 CO 0.38 -0.83 0.13 -2.00 0.00 0.00 0.00 175.76 173.43 1ywx s GLU 65 N 2.69 3.30 0.16 0.00 2.12 0.18 0.19 118.70 127.34 1ywx s GLU 65 Ca -0.06 -0.32 -0.19 0.00 0.36 0.00 0.00 54.97 54.77 1ywx s GLU 65 Cb -0.11 -3.03 0.04 0.00 0.26 0.00 0.00 34.13 31.29 1ywx s GLU 65 CO -0.18 0.70 0.50 0.20 -0.54 0.00 0.00 175.26 175.94 1ywx s GLY 66 N -1.54 -0.30 -0.10 -1.50 0.00 -1.06 0.11 107.32 102.94 1ywx s GLY 66 Ca 0.21 0.03 0.02 0.00 0.00 0.00 0.00 44.72 44.98 1ywx s GLY 66 CO 0.12 -0.16 -0.17 -0.47 0.00 0.00 0.00 173.10 172.41 1ywx s TYR 67 N -3.82 2.69 -0.19 1.90 6.04 0.01 -2.79 117.35 121.20 1ywx s TYR 67 Ca 0.05 -0.69 -0.07 0.00 0.04 0.00 0.00 57.07 56.40 1ywx s TYR 67 Cb -0.00 -1.75 -0.04 0.00 -1.04 0.00 0.00 41.96 39.13 1ywx s TYR 67 CO -0.09 -0.21 0.06 0.00 -1.54 0.00 0.00 175.55 173.77 1ywx s ALA 68 N 0.15 3.37 0.01 3.97 0.00 -0.58 -0.96 121.76 127.72 1ywx s ALA 68 Ca -0.09 -0.78 0.06 0.00 0.00 0.00 0.00 51.96 51.15 1ywx s ALA 68 Cb -0.15 -1.92 -0.03 0.00 0.00 0.00 0.00 23.12 21.02 1ywx s ALA 68 CO 0.06 0.12 -0.19 0.21 0.00 0.00 0.00 175.76 175.96 1ywx s LYS 69 N 0.49 2.19 -0.02 0.00 2.36 -1.04 -2.59 119.74 121.12 1ywx s LYS 69 Ca 0.03 -0.90 0.01 0.00 -2.55 0.00 0.00 55.97 52.56 1ywx s LYS 69 Cb -0.13 -2.21 0.01 0.00 -1.05 0.00 0.00 37.83 34.45 1ywx s LYS 69 CO 0.01 0.57 -0.04 0.42 1.55 0.00 0.00 175.35 177.85 1ywx s ILE 70 N -0.82 0.41 0.37 5.43 1.01 -1.08 -3.07 121.20 123.45 1ywx s ILE 70 Ca 0.13 -0.15 0.08 0.00 0.00 0.00 0.00 60.65 60.71 1ywx s ILE 70 Cb -0.10 -0.39 -0.05 0.00 0.01 0.00 0.00 42.46 41.93 1ywx s ILE 70 CO 0.03 0.15 0.13 -0.72 0.00 0.00 0.00 174.94 174.53 1ywx s TYR 71 N 0.32 2.63 -0.05 3.97 1.13 -1.25 -0.22 117.35 123.87 1ywx s TYR 71 Ca -0.03 -0.48 -0.20 0.00 -1.41 0.00 0.00 57.07 54.95 1ywx s TYR 71 Cb -0.07 -1.74 -0.14 0.00 -1.10 0.00 0.00 41.96 38.91 1ywx s TYR 71 CO -0.00 0.30 0.80 -0.91 -2.51 0.00 0.00 175.55 173.23 1ywx h ASN 72 N 1.55 -0.20 -5.00 -0.18 2.35 -1.78 -3.47 115.58 108.86 1ywx h ASN 72 Ca -0.43 -0.31 -0.09 0.00 -0.55 0.00 0.00 56.30 54.92 1ywx h ASN 72 Cb 1.25 0.05 -0.19 0.00 0.05 0.00 0.00 38.32 39.48 1ywx h ASN 72 CO 0.67 0.35 -0.09 1.51 -1.65 0.00 0.00 177.43 178.21 1ywx s ASP 73 N -5.43 -0.36 0.66 5.81 1.47 -1.26 -4.99 116.67 112.56 1ywx s ASP 73 Ca -0.12 0.29 0.38 0.00 1.18 0.00 0.00 52.55 54.29 1ywx s ASP 73 Cb 0.00 0.40 2.11 0.00 -0.34 0.00 0.00 42.92 45.10 1ywx s ASP 73 CO 0.43 -0.53 2.21 -0.33 0.68 0.00 0.00 175.17 177.63 1ywx h GLU 74 N 3.45 0.00 0.03 2.11 5.08 -1.97 -0.83 114.58 122.45 1ywx h GLU 74 Ca -0.29 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1ywx h GLU 74 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1ywx h GLU 74 CO 0.40 0.00 -0.01 0.87 -1.00 0.00 0.00 179.01 179.27 1ywx h LYS 75 N 0.00 -0.04 0.08 2.33 1.79 -1.98 0.84 116.57 119.59 1ywx h LYS 75 Ca 0.01 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1ywx h LYS 75 Cb 0.25 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1ywx h LYS 75 CO -0.00 -0.01 -0.04 0.00 -1.08 0.00 0.00 179.45 178.33 1ywx h ALA 76 N 0.91 -0.10 -0.41 3.86 0.00 -1.62 -3.25 119.26 118.64 1ywx h ALA 76 Ca -0.00 -0.29 0.09 0.00 0.00 0.00 0.00 54.91 54.70 1ywx h ALA 76 Cb 0.05 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.79 1ywx h ALA 76 CO 0.01 -0.18 -0.17 1.98 0.00 0.00 0.00 179.25 180.88 1ywx h MET 77 N -0.85 -0.09 -1.11 0.00 1.85 -1.24 1.74 114.93 115.24 1ywx h MET 77 Ca -0.01 0.01 0.32 0.00 -0.61 0.00 0.00 59.70 59.41 1ywx h MET 77 Cb 0.61 0.02 -0.04 0.00 0.43 0.00 0.00 31.60 32.61 1ywx h MET 77 CO 0.02 -0.06 0.86 0.00 -0.40 0.00 0.00 176.91 177.33 1ywx h ALA 78 N 1.22 3.01 0.00 0.39 0.00 0.62 0.95 119.26 125.45 1ywx h ALA 78 Ca 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ywx h ALA 78 Cb 0.40 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1ywx h ALA 78 CO -0.47 -1.43 -0.39 2.41 0.00 0.00 0.00 179.25 179.36 1ywx n THR 79 N -4.01 0.69 0.00 0.00 -1.04 0.17 -4.72 114.28 105.37 1ywx n THR 79 Ca 0.24 0.34 0.00 0.00 -2.04 0.00 0.00 64.05 62.59 1ywx n THR 79 Cb 1.23 -1.91 0.00 0.00 -1.82 0.00 0.00 70.33 67.83 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 -3.40 0.00 -0.73 12.58 5.41 0.54 -4.59 119.36 129.17 1ywx n ILE 80 Ca -0.05 1.31 -0.29 0.00 1.00 0.00 0.00 62.75 64.72 1ywx n ILE 80 Cb 0.20 -1.92 0.12 0.00 -0.71 0.00 0.00 39.64 37.33 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 -2.08 -1.22 -4.46 0.38 4.71 0.30 -5.02 120.64 113.26 1ywx n GLU 81 Ca 0.00 -0.35 -0.23 0.00 -0.01 0.00 0.00 57.16 56.57 1ywx n GLU 81 Cb 0.00 -1.40 -0.10 0.00 -1.01 0.00 0.00 31.44 28.93 1ywx n GLU 81 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 1ywx s THR 82 N -2.11 1.97 0.58 2.62 -4.23 -1.26 -4.85 115.64 108.36 1ywx s THR 82 Ca 0.42 -2.21 0.31 0.00 -1.18 0.00 0.00 61.69 59.03 1ywx s THR 82 Cb -0.03 -2.43 0.43 0.00 1.34 0.00 0.00 72.50 71.81 1ywx s THR 82 CO 0.54 -0.33 1.74 0.07 -0.54 0.00 0.00 174.62 176.10 1ywx h LYS 83 N 2.24 0.00 -0.58 3.99 -0.00 -1.95 1.28 116.57 121.55 1ywx h LYS 83 Ca -0.40 0.00 -0.08 0.00 -0.00 0.00 0.00 60.65 60.17 1ywx h LYS 83 Cb 1.24 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.45 1ywx h LYS 83 CO 0.66 0.00 0.06 1.03 -0.00 0.00 0.00 179.45 181.20 1ywx h SER 84 N 0.00 0.92 0.11 7.07 0.87 -1.98 0.14 113.55 120.67 1ywx h SER 84 Ca 0.37 -0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1ywx h SER 84 Cb 1.87 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.59 1ywx h SER 84 CO -0.00 0.94 -0.05 0.58 -0.53 0.00 0.00 176.83 177.77 1ywx h VAL 85 N 0.90 0.00 -0.49 2.23 2.07 0.12 -3.22 116.25 117.86 1ywx h VAL 85 Ca 0.18 -0.33 0.14 0.00 0.82 0.00 0.00 66.70 67.50 1ywx h VAL 85 Cb 0.44 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1ywx h VAL 85 CO 0.02 0.00 0.70 -0.07 0.02 0.00 0.00 177.57 178.23 1ywx h LEU 86 N -0.48 0.00 -0.46 2.57 4.07 -1.41 0.45 115.31 120.04 1ywx h LEU 86 Ca -0.01 0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.00 1ywx h LEU 86 Cb 0.11 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.80 1ywx h LEU 86 CO 0.02 0.00 0.19 -0.33 -1.08 0.00 0.00 178.44 177.25 1ywx h GLU 87 N 0.00 0.38 -0.39 1.13 4.39 -0.72 -0.48 114.58 118.88 1ywx h GLU 87 Ca 0.24 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.88 1ywx h GLU 87 Cb 1.62 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 30.17 1ywx h GLU 87 CO -0.00 0.25 0.10 1.57 -1.16 0.00 0.00 179.01 179.77 1ywx h LYS 88 N 0.39 0.58 -3.01 2.33 2.10 -0.17 -3.11 116.57 115.68 1ywx h LYS 88 Ca 0.21 -0.09 -0.62 0.00 -2.00 0.00 0.00 60.65 58.14 1ywx h LYS 88 Cb 0.18 -0.10 0.03 0.00 -0.90 0.00 0.00 32.23 31.43 1ywx h LYS 88 CO -0.19 0.53 3.60 0.09 -2.00 0.00 0.00 179.45 181.48 1ywx n ASN 89 N -4.33 8.28 -4.74 7.07 3.02 -0.19 -4.93 115.26 119.44 1ywx n ASN 89 Ca 0.02 -2.54 -0.35 0.00 -0.03 0.00 0.00 54.58 51.69 1ywx n ASN 89 Cb 0.19 -1.51 0.07 0.00 -0.61 0.00 0.00 39.78 37.92 1ywx n ASN 89 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1ywx s LYS 90 N 2.26 2.45 0.00 3.52 2.20 -1.18 -4.97 119.74 124.02 1ywx s LYS 90 Ca 0.67 1.76 0.00 0.00 -0.36 0.00 0.00 55.97 58.04 1ywx s LYS 90 Cb 0.18 -1.87 0.00 0.00 -1.51 0.00 0.00 37.83 34.63 1ywx s LYS 90 CO -0.06 -1.60 0.48 -0.89 -0.36 0.00 0.00 175.35 172.93 1ywx n ILE 91 N -2.34 0.00 -2.38 5.43 2.08 -1.26 -4.85 119.36 116.04 1ywx n ILE 91 Ca 0.13 0.90 -0.26 0.00 0.56 0.00 0.00 62.75 64.09 1ywx n ILE 91 Cb 0.50 -1.75 0.04 0.00 -0.75 0.00 0.00 39.64 37.69 1ywx n ILE 91 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 1ywx s GLU 92 N -1.13 2.67 0.55 0.38 2.56 -1.26 -5.11 118.70 117.36 1ywx s GLU 92 Ca 0.00 -0.17 0.07 0.00 0.00 0.00 0.00 54.97 54.87 1ywx s GLU 92 Cb 0.00 -2.27 0.07 0.00 2.00 0.00 0.00 34.13 33.93 1ywx s GLU 92 CO 0.00 -0.85 0.58 -0.85 -0.56 0.00 0.00 175.26 173.58 1ywx n GLU 93 N -2.64 0.66 -0.25 4.30 0.28 -1.26 -5.14 120.64 116.58 1ywx n GLU 93 Ca 0.06 -3.18 0.00 0.00 -0.16 0.00 0.00 57.16 53.87 1ywx n GLU 93 Cb 0.59 0.07 0.00 0.00 1.43 0.00 0.00 31.44 33.53 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 -1.98 1.09 0.00 3.44 0.28 -1.26 -5.09 120.64 117.12 1ywx n GLU 94 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.07 1ywx n GLU 94 Cb 0.59 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.46 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 0.21 -1.84 0.00 -1.26 -5.07 120.51 109.55 1ywx n ALA 95 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1ywx n ALA 95 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.62 -1.83 0.00 5.08 -1.98 -3.48 114.58 111.75 1ywx h GLU 96 Ca 0.00 0.04 0.22 0.00 -1.00 0.00 0.00 59.36 58.63 1ywx h GLU 96 Cb 0.00 0.14 -0.14 0.00 0.50 0.00 0.00 28.75 29.25 1ywx h GLU 96 CO 0.00 -0.42 0.68 0.00 -1.00 0.00 0.00 179.01 178.27 1ywx s ALA 97 N -4.77 -1.97 0.26 3.43 0.00 -1.26 -5.03 121.76 112.42 1ywx s ALA 97 Ca -0.11 0.95 -0.11 0.00 0.00 0.00 0.00 51.96 52.69 1ywx s ALA 97 Cb 0.02 0.27 0.38 0.00 0.00 0.00 0.00 23.12 23.79 1ywx s ALA 97 CO 0.35 -0.82 1.56 0.93 0.00 0.00 0.00 175.76 177.79 1ywx h GLU 98 N 2.00 -0.00 -7.53 0.00 5.08 -2.05 -3.39 114.58 108.69 1ywx h GLU 98 Ca -0.20 0.00 -0.48 0.00 -1.00 0.00 0.00 59.36 57.68 1ywx h GLU 98 Cb 1.21 0.00 0.09 0.00 0.50 0.00 0.00 28.75 30.55 1ywx h GLU 98 CO 0.27 -0.00 0.39 0.14 -1.00 0.00 0.00 179.01 178.80 1ywx s VAL 99 N -6.16 2.52 0.06 3.13 -7.23 -1.26 -5.04 120.40 106.42 1ywx s VAL 99 Ca -0.15 0.11 -0.02 0.00 -1.81 0.00 0.00 61.98 60.12 1ywx s VAL 99 Cb 0.24 -3.16 -0.01 0.00 0.56 0.00 0.00 36.38 34.02 1ywx s VAL 99 CO 0.76 -0.20 -0.04 0.00 -0.31 0.00 0.00 175.10 175.31 1ywx n ALA 100 N -3.16 2.73 -0.93 1.32 0.00 -1.26 -4.92 120.51 114.29 1ywx n ALA 100 Ca 0.08 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.54 1ywx n ALA 100 Cb 0.60 0.19 -0.05 0.00 0.00 0.00 0.00 19.45 20.20 1ywx n ALA 100 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1ywx n GLU 101 N -3.47 -2.03 0.00 0.00 2.13 -1.26 -5.04 120.64 110.96 1ywx n GLU 101 Ca -0.01 1.54 0.00 0.00 0.66 0.00 0.00 57.16 59.35 1ywx n GLU 101 Cb 0.05 -2.42 0.00 0.00 0.27 0.00 0.00 31.44 29.34 1ywx n GLU 101 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11