#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 5.74 -0.10 7.83 1.11 -1.10 -5.02 116.67 125.14 1ywx s ASP 2 Ca 0.00 -2.53 0.03 0.00 0.18 0.00 0.00 52.55 50.23 1ywx s ASP 2 Cb 0.00 -1.98 -0.01 0.00 1.07 0.00 0.00 42.92 42.00 1ywx s ASP 2 CO 0.00 -0.52 -0.20 -0.63 1.18 0.00 0.00 175.17 175.01 1ywx s ILE 3 N 0.43 2.48 -0.09 0.77 1.01 -1.26 -0.02 121.20 124.52 1ywx s ILE 3 Ca 0.14 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 59.92 1ywx s ILE 3 Cb -0.19 -1.98 0.02 0.00 0.01 0.00 0.00 42.46 40.31 1ywx s ILE 3 CO -0.04 0.55 -0.12 -0.55 0.00 0.00 0.00 174.94 174.78 1ywx s SER 4 N 0.19 2.03 0.08 3.58 0.15 -0.19 -4.96 113.70 114.57 1ywx s SER 4 Ca -0.12 -0.33 -0.30 0.00 0.70 0.00 0.00 55.95 55.91 1ywx s SER 4 Cb -0.16 -0.89 -0.05 0.00 -1.71 0.00 0.00 66.02 63.21 1ywx s SER 4 CO 0.06 -0.01 1.04 -0.63 1.20 0.00 0.00 173.24 174.90 1ywx s ILE 5 N 1.02 4.40 -0.19 6.45 -1.09 -1.26 0.36 121.20 130.89 1ywx s ILE 5 Ca -0.07 1.85 -0.15 0.00 -2.23 0.00 0.00 60.65 60.05 1ywx s ILE 5 Cb -0.15 -4.18 -0.08 0.00 -1.58 0.00 0.00 42.46 36.46 1ywx s ILE 5 CO -0.01 0.22 -0.21 -0.38 -1.23 0.00 0.00 174.94 173.33 1ywx n ILE 6 N 3.30 1.49 -4.11 2.92 2.08 0.07 -4.93 119.36 120.18 1ywx n ILE 6 Ca 0.05 0.03 -0.08 0.00 0.56 0.00 0.00 62.75 63.31 1ywx n ILE 6 Cb 0.49 -2.22 -0.10 0.00 -0.75 0.00 0.00 39.64 37.05 1ywx n ILE 6 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 1ywx s SER 7 N -6.33 0.69 -0.39 4.38 1.04 -0.77 -5.00 113.70 107.33 1ywx s SER 7 Ca -0.27 -0.99 0.01 0.00 0.48 0.00 0.00 55.95 55.18 1ywx s SER 7 Cb 0.06 0.16 0.13 0.00 0.10 0.00 0.00 66.02 66.47 1ywx s SER 7 CO 0.40 -0.55 0.21 1.51 0.98 0.00 0.00 173.24 175.79 1ywx s ASP 8 N -2.92 3.44 0.06 7.02 -4.77 -1.26 -2.06 116.67 116.19 1ywx s ASP 8 Ca 0.08 -2.30 0.02 0.00 -3.30 0.00 0.00 52.55 47.06 1ywx s ASP 8 Cb 0.07 -0.76 -0.04 0.00 -1.09 0.00 0.00 42.92 41.10 1ywx s ASP 8 CO -0.08 -0.31 0.08 -0.13 0.70 0.00 0.00 175.17 175.43 1ywx s ARG 9 N 0.83 2.90 -0.03 2.11 1.81 0.38 -5.00 118.95 121.95 1ywx s ARG 9 Ca 0.16 -0.66 0.06 0.00 -1.72 0.00 0.00 55.73 53.57 1ywx s ARG 9 Cb -0.23 -2.74 -0.01 0.00 -0.45 0.00 0.00 34.95 31.52 1ywx s ARG 9 CO -0.04 0.58 -0.20 1.21 -0.68 0.00 0.00 175.30 176.17 1ywx s ASN 10 N -2.26 2.40 -0.44 0.23 2.47 -1.26 -2.13 114.94 113.95 1ywx s ASN 10 Ca 0.28 -0.38 0.02 0.00 0.42 0.00 0.00 52.86 53.20 1ywx s ASN 10 Cb -0.12 -0.44 0.13 0.00 -1.45 0.00 0.00 41.25 39.37 1ywx s ASN 10 CO 0.20 0.22 0.22 0.20 -3.72 0.00 0.00 177.10 174.22 1ywx s ASN 11 N -0.28 3.88 0.01 -4.21 0.01 -0.67 -4.89 114.94 108.80 1ywx s ASN 11 Ca 0.03 -2.59 -0.20 0.00 -0.71 0.00 0.00 52.86 49.39 1ywx s ASN 11 Cb -0.10 -1.18 -0.22 0.00 0.41 0.00 0.00 41.25 40.17 1ywx s ASN 11 CO 0.01 -0.28 1.13 1.55 -1.51 0.00 0.00 177.10 178.00 1ywx h PRO 12 N 6.85 0.41 -0.14 -0.60 0.13 -1.93 0.41 132.00 137.14 1ywx h PRO 12 Ca -0.04 -0.40 0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1ywx h PRO 12 Cb 0.93 0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 1ywx h PRO 12 CO 0.53 1.06 -0.12 -0.07 -0.23 0.00 0.00 178.00 179.16 1ywx h LEU 13 N -0.08 -0.42 -2.00 1.56 4.07 -1.92 0.77 115.31 117.28 1ywx h LEU 13 Ca -0.06 0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1ywx h LEU 13 Cb 1.22 0.18 0.00 0.00 1.08 0.00 0.00 40.66 43.14 1ywx h LEU 13 CO 0.11 -0.07 0.00 -0.07 -1.08 0.00 0.00 178.44 177.33 1ywx h LEU 14 N -0.05 0.00 0.28 1.67 3.38 -2.00 -3.45 115.31 115.13 1ywx h LEU 14 Ca 0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1ywx h LEU 14 Cb 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1ywx h LEU 14 CO -0.16 0.00 -0.08 1.67 0.09 0.00 0.00 178.44 179.97 1ywx n GLN 15 N -2.96 -0.26 -4.47 1.13 7.27 0.27 -4.91 117.38 113.45 1ywx n GLN 15 Ca -0.01 0.49 -0.28 0.00 0.07 0.00 0.00 57.00 57.28 1ywx n GLN 15 Cb 0.19 -4.16 -0.09 0.00 2.41 0.00 0.00 30.24 28.59 1ywx n GLN 15 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1ywx s ARG 16 N -2.87 2.08 0.00 3.69 0.52 0.13 -2.36 118.95 120.15 1ywx s ARG 16 Ca 0.00 -2.07 0.06 0.00 -0.52 0.00 0.00 55.73 53.20 1ywx s ARG 16 Cb 0.00 -1.74 -0.03 0.00 0.52 0.00 0.00 34.95 33.70 1ywx s ARG 16 CO 0.00 -0.13 -0.18 0.50 0.02 0.00 0.00 175.30 175.50 1ywx s ARG 17 N -3.81 2.21 -0.40 3.54 6.06 0.41 -1.67 118.95 125.29 1ywx s ARG 17 Ca 0.33 -0.88 0.01 0.00 -2.50 0.00 0.00 55.73 52.69 1ywx s ARG 17 Cb 0.07 -2.22 0.12 0.00 0.06 0.00 0.00 34.95 32.98 1ywx s ARG 17 CO 0.17 0.57 0.19 -1.21 -2.50 0.00 0.00 175.30 172.52 1ywx s GLU 18 N -1.06 1.13 -0.08 5.12 2.02 -0.91 -3.15 118.70 121.78 1ywx s GLU 18 Ca 0.13 -1.73 0.03 0.00 0.02 0.00 0.00 54.97 53.42 1ywx s GLU 18 Cb -0.10 -2.28 0.01 0.00 0.10 0.00 0.00 34.13 31.85 1ywx s GLU 18 CO 0.03 -1.10 -0.18 0.42 0.02 0.00 0.00 175.26 174.45 1ywx s ILE 19 N 0.75 1.56 -0.00 -1.63 1.01 -0.98 -0.47 121.20 121.43 1ywx s ILE 19 Ca 0.15 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 60.08 1ywx s ILE 19 Cb -0.22 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.84 1ywx s ILE 19 CO -0.07 0.45 -0.00 -0.75 0.00 0.00 0.00 174.94 174.57 1ywx s LYS 20 N 0.48 2.78 0.37 2.79 2.36 -0.87 -0.61 119.74 127.03 1ywx s LYS 20 Ca -0.16 -0.61 -0.15 0.00 -2.55 0.00 0.00 55.97 52.50 1ywx s LYS 20 Cb -0.16 -2.66 0.06 0.00 -1.05 0.00 0.00 37.83 34.01 1ywx s LYS 20 CO 0.06 0.63 0.81 1.97 1.55 0.00 0.00 175.35 180.36 1ywx n PHE 21 N 1.42 -2.24 -4.26 4.03 1.16 -1.07 -0.76 117.46 115.74 1ywx n PHE 21 Ca -0.15 -1.77 -0.20 0.00 -1.87 0.00 0.00 57.45 53.47 1ywx n PHE 21 Cb 0.53 0.88 -0.11 0.00 -1.61 0.00 0.00 39.48 39.16 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 -2.11 1.48 -0.03 1.97 2.01 0.16 -2.43 115.64 116.69 1ywx s THR 22 Ca 0.16 -1.69 0.00 0.00 0.31 0.00 0.00 61.69 60.47 1ywx s THR 22 Cb -0.05 -1.56 0.02 0.00 0.01 0.00 0.00 72.50 70.93 1ywx s THR 22 CO 0.11 -0.32 -0.00 0.54 -0.69 0.00 0.00 174.62 174.26 1ywx s VAL 23 N -1.88 0.18 0.07 3.82 0.11 0.41 -1.03 120.40 122.08 1ywx s VAL 23 Ca 0.09 0.06 0.06 0.00 -2.93 0.00 0.00 61.98 59.25 1ywx s VAL 23 Cb -0.06 -0.26 -0.03 0.00 -1.53 0.00 0.00 36.38 34.50 1ywx s VAL 23 CO 0.04 0.13 -0.16 -0.55 -3.33 0.00 0.00 175.10 171.23 1ywx s SER 24 N 0.86 1.89 0.11 3.54 0.15 0.96 0.10 113.70 121.31 1ywx s SER 24 Ca -0.09 -0.58 -0.02 0.00 0.70 0.00 0.00 55.95 55.96 1ywx s SER 24 Cb -0.12 -0.09 0.01 0.00 -1.71 0.00 0.00 66.02 64.11 1ywx s SER 24 CO -0.01 -0.01 0.19 2.22 1.20 0.00 0.00 173.24 176.82 1ywx n PHE 25 N 1.43 -1.05 -3.89 3.44 1.16 -1.16 -2.70 117.46 114.69 1ywx n PHE 25 Ca -0.20 -0.63 -0.30 0.00 -1.87 0.00 0.00 57.45 54.45 1ywx n PHE 25 Cb 0.54 0.22 -0.14 0.00 -1.61 0.00 0.00 39.48 38.49 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 -1.63 4.18 0.00 5.98 1.11 -1.26 -4.79 116.67 120.25 1ywx s ASP 26 Ca 0.07 -2.99 0.00 0.00 0.18 0.00 0.00 52.55 49.80 1ywx s ASP 26 Cb -0.01 -1.50 0.00 0.00 1.07 0.00 0.00 42.92 42.49 1ywx s ASP 26 CO 0.05 -0.23 0.00 0.00 1.18 0.00 0.00 175.17 176.17 1ywx n ALA 27 N 3.11 0.00 -1.16 5.23 0.00 -1.26 -4.85 120.51 121.58 1ywx n ALA 27 Ca 0.07 0.00 -0.55 0.00 0.00 0.00 0.00 53.44 52.96 1ywx n ALA 27 Cb 0.33 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.67 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 0.00 0.21 -2.96 0.00 0.00 -1.26 -4.85 120.51 111.65 1ywx n ALA 28 Ca 0.00 0.16 -0.42 0.00 0.00 0.00 0.00 53.44 53.18 1ywx n ALA 28 Cb 0.00 -1.93 -0.09 0.00 0.00 0.00 0.00 19.45 17.43 1ywx n ALA 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ywx s THR 29 N 5.64 4.74 0.00 0.00 2.01 -1.26 -4.84 115.64 121.93 1ywx s THR 29 Ca 1.12 -1.09 0.00 0.00 0.31 0.00 0.00 61.69 62.02 1ywx s THR 29 Cb -1.38 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 67.33 1ywx s THR 29 CO 0.61 -0.45 0.00 -0.81 -0.69 0.00 0.00 174.62 173.27 1ywx n PRO 30 N 5.06 0.70 -1.46 4.92 -0.04 -1.26 -4.88 135.00 138.04 1ywx n PRO 30 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1ywx n PRO 30 Cb 0.44 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.90 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 0.74 0.12 3.54 7.64 -1.26 -4.93 113.62 118.86 1ywx n SER 31 Ca 0.00 -0.73 -0.09 0.00 1.01 0.00 0.00 58.87 59.06 1ywx n SER 31 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 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 0.73 0.40 -0.37 0.44 2.04 -1.98 -1.22 117.51 117.55 1ywx h ILE 32 Ca 0.00 -0.83 -0.05 0.00 1.00 0.00 0.00 64.86 64.98 1ywx h ILE 32 Cb 0.00 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1ywx h ILE 32 CO 0.00 0.10 0.04 0.11 0.00 0.00 0.00 178.15 178.40 1ywx h LYS 33 N -1.00 0.63 -0.91 2.37 6.56 -1.97 0.69 116.57 122.94 1ywx h LYS 33 Ca -0.04 -0.18 0.12 0.00 -1.06 0.00 0.00 60.65 59.49 1ywx h LYS 33 Cb 0.46 -0.07 -0.07 0.00 -0.57 0.00 0.00 32.23 31.98 1ywx h LYS 33 CO 0.07 0.71 0.58 -0.44 -2.06 0.00 0.00 179.45 178.31 1ywx h ASP 34 N 0.46 0.76 0.12 0.86 5.19 -1.96 -0.57 116.42 121.29 1ywx h ASP 34 Ca 0.11 0.03 -0.22 0.00 -0.62 0.00 0.00 57.03 56.33 1ywx h ASP 34 Cb 0.40 -0.12 0.02 0.00 0.18 0.00 0.00 39.33 39.81 1ywx h ASP 34 CO 0.01 0.42 -0.94 0.58 -3.12 0.00 0.00 179.24 176.18 1ywx h VAL 35 N 0.82 1.42 -1.06 -1.35 2.07 -0.74 -3.20 116.25 114.21 1ywx h VAL 35 Ca 0.44 -2.44 0.29 0.00 0.82 0.00 0.00 66.70 65.81 1ywx h VAL 35 Cb 0.54 2.94 -0.06 0.00 -1.52 0.00 0.00 31.29 33.19 1ywx h VAL 35 CO -0.20 0.71 0.73 0.07 0.02 0.00 0.00 177.57 178.90 1ywx h LYS 36 N -0.11 0.14 -0.21 1.57 2.10 0.16 0.97 116.57 121.20 1ywx h LYS 36 Ca -0.15 -0.01 0.06 0.00 -2.00 0.00 0.00 60.65 58.55 1ywx h LYS 36 Cb 1.70 -0.03 -0.07 0.00 -0.90 0.00 0.00 32.23 32.93 1ywx h LYS 36 CO 0.18 0.09 -0.26 0.52 -2.00 0.00 0.00 179.45 177.98 1ywx h MET 37 N 0.14 -0.28 -0.08 0.07 2.86 -1.14 1.12 114.93 117.61 1ywx h MET 37 Ca 0.54 0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 58.14 1ywx h MET 37 Cb 1.85 0.06 0.00 0.00 0.06 0.00 0.00 31.60 33.57 1ywx h MET 37 CO -0.11 -0.19 -0.15 0.87 1.06 0.00 0.00 176.91 178.40 1ywx h LYS 38 N -0.29 0.25 -0.95 1.72 6.56 -1.04 -3.07 116.57 119.77 1ywx h LYS 38 Ca 0.12 -0.16 0.18 0.00 -1.06 0.00 0.00 60.65 59.74 1ywx h LYS 38 Cb 0.48 0.02 -0.11 0.00 -0.57 0.00 0.00 32.23 32.05 1ywx h LYS 38 CO -0.37 0.73 0.53 -0.07 -2.06 0.00 0.00 179.45 178.22 1ywx h LEU 39 N -0.21 0.65 -0.81 2.94 3.38 -0.73 0.75 115.31 121.28 1ywx h LEU 39 Ca 0.01 0.10 0.09 0.00 0.09 0.00 0.00 57.88 58.17 1ywx h LEU 39 Cb 0.72 -0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.39 1ywx h LEU 39 CO 0.03 0.22 0.46 0.58 0.09 0.00 0.00 178.44 179.83 1ywx h VAL 40 N 0.67 0.92 -0.05 1.22 2.07 0.14 1.49 116.25 122.71 1ywx h VAL 40 Ca 0.55 -0.27 -0.22 0.00 0.82 0.00 0.00 66.70 67.57 1ywx h VAL 40 Cb 0.86 0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1ywx h VAL 40 CO -0.40 0.14 -0.88 0.00 0.02 0.00 0.00 177.57 176.45 1ywx h ALA 41 N 1.44 0.36 0.24 1.67 0.00 -0.15 1.64 119.26 124.47 1ywx h ALA 41 Ca 0.39 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1ywx h ALA 41 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1ywx h ALA 41 CO -0.24 0.75 -0.12 0.28 0.00 0.00 0.00 179.25 179.93 1ywx h VAL 42 N 0.33 0.82 -0.04 0.00 2.07 0.18 -3.19 116.25 116.41 1ywx h VAL 42 Ca -0.07 -0.39 -0.22 0.00 0.82 0.00 0.00 66.70 66.84 1ywx h VAL 42 Cb 1.51 1.04 0.02 0.00 -1.52 0.00 0.00 31.29 32.33 1ywx h VAL 42 CO 0.16 0.09 -0.85 -0.07 0.02 0.00 0.00 177.57 176.92 1ywx h LEU 43 N -0.52 0.82 -2.00 2.57 3.38 0.20 -3.48 115.31 116.27 1ywx h LEU 43 Ca -0.03 -0.71 -0.11 0.00 0.09 0.00 0.00 57.88 57.12 1ywx h LEU 43 Cb 0.39 -0.25 0.06 0.00 0.09 0.00 0.00 40.66 40.95 1ywx h LEU 43 CO 0.05 1.42 -0.26 -3.20 0.09 0.00 0.00 178.44 176.54 1ywx n ASN 44 N -3.98 -2.20 -1.53 -0.43 5.15 0.56 -5.06 115.26 107.77 1ywx n ASN 44 Ca -0.10 -0.21 0.00 0.00 -0.60 0.00 0.00 54.58 53.67 1ywx n ASN 44 Cb 0.79 -2.03 0.00 0.00 -0.53 0.00 0.00 39.78 38.00 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 -2.04 0.00 -2.40 5.20 0.00 -1.11 -5.04 120.51 115.13 1ywx n ALA 45 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.92 1ywx n ALA 45 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.98 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 -0.88 6.73 0.37 0.00 2.47 -1.26 -4.87 114.94 117.50 1ywx s ASN 46 Ca 0.00 1.38 0.18 0.00 0.42 0.00 0.00 52.86 54.84 1ywx s ASN 46 Cb 0.00 -2.54 0.64 0.00 -1.45 0.00 0.00 41.25 37.90 1ywx s ASN 46 CO 0.00 -1.00 1.72 0.07 -3.72 0.00 0.00 177.10 174.17 1ywx h LYS 47 N 9.08 0.00 -0.97 0.43 5.09 -1.94 -2.99 116.57 125.27 1ywx h LYS 47 Ca -0.27 0.00 0.17 0.00 0.09 0.00 0.00 60.65 60.64 1ywx h LYS 47 Cb 1.10 0.00 -0.09 0.00 0.10 0.00 0.00 32.23 33.35 1ywx h LYS 47 CO 1.01 0.39 0.61 1.96 -2.09 0.00 0.00 179.45 181.33 1ywx h GLN 48 N 0.00 0.73 -2.24 0.07 4.20 -2.02 -2.51 115.11 113.34 1ywx h GLN 48 Ca -0.00 -0.04 -0.58 0.00 0.06 0.00 0.00 58.65 58.08 1ywx h GLN 48 Cb 0.93 -0.17 -0.42 0.00 0.30 0.00 0.00 27.48 28.12 1ywx h GLN 48 CO 0.05 0.48 -0.70 1.33 -0.67 0.00 0.00 178.83 179.33 1ywx n VAL 49 N -4.65 2.55 -4.10 -0.54 0.24 -1.13 -5.03 118.33 105.68 1ywx n VAL 49 Ca 0.20 -5.39 -0.17 0.00 -2.04 0.00 0.00 64.34 56.94 1ywx n VAL 49 Cb 0.52 -1.43 -0.15 0.00 -1.47 0.00 0.00 33.84 31.30 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 -3.14 1.60 0.28 1.34 0.20 -0.95 -3.83 118.68 114.18 1ywx s LEU 50 Ca 0.46 -0.08 -0.13 0.00 0.69 0.00 0.00 54.13 55.07 1ywx s LEU 50 Cb 0.26 -0.30 0.01 0.00 -0.43 0.00 0.00 46.19 45.72 1ywx s LEU 50 CO -0.11 -0.01 0.54 -0.69 -0.29 0.00 0.00 176.35 175.79 1ywx s VAL 51 N 0.47 0.00 0.15 1.68 1.01 -1.17 -5.01 120.40 117.53 1ywx s VAL 51 Ca -0.05 -1.34 0.07 0.00 0.00 0.00 0.00 61.98 60.65 1ywx s VAL 51 Cb -0.09 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1ywx s VAL 51 CO -0.00 0.00 -0.00 -0.69 0.00 0.00 0.00 175.10 174.40 1ywx s VAL 52 N -3.68 3.79 -0.14 2.92 1.01 -1.26 -2.35 120.40 120.69 1ywx s VAL 52 Ca 0.21 -1.29 -0.17 0.00 0.00 0.00 0.00 61.98 60.74 1ywx s VAL 52 Cb -0.02 -2.87 -0.14 0.00 0.00 0.00 0.00 36.38 33.35 1ywx s VAL 52 CO 0.11 -0.04 0.32 0.44 0.00 0.00 0.00 175.10 175.93 1ywx h ASP 53 N 2.94 0.00 -4.09 3.32 3.32 -1.21 -3.46 116.42 117.25 1ywx h ASP 53 Ca -0.47 -0.49 0.28 0.00 0.02 0.00 0.00 57.03 56.37 1ywx h ASP 53 Cb 1.19 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.54 1ywx h ASP 53 CO 0.58 0.91 0.88 -0.89 -1.72 0.00 0.00 179.24 179.00 1ywx s THR 54 N -2.05 0.00 0.27 0.35 2.01 -1.20 -4.98 115.64 110.03 1ywx s THR 54 Ca -0.15 0.00 0.02 0.00 0.31 0.00 0.00 61.69 61.87 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 0.41 0.00 0.10 -0.22 -0.69 0.00 0.00 174.62 174.22 1ywx s LEU 55 N -2.04 1.71 -0.28 4.42 2.96 -1.26 -0.54 118.68 123.64 1ywx s LEU 55 Ca 0.10 -1.40 -0.12 0.00 -0.22 0.00 0.00 54.13 52.48 1ywx s LEU 55 Cb -0.01 -0.01 0.10 0.00 0.50 0.00 0.00 46.19 46.77 1ywx s LEU 55 CO -0.04 -0.73 0.65 -1.81 -1.32 0.00 0.00 176.35 173.10 1ywx s ASP 56 N -3.34 -1.00 0.30 3.68 1.11 0.24 -4.91 116.67 112.74 1ywx s ASP 56 Ca 0.37 1.51 -0.29 0.00 0.18 0.00 0.00 52.55 54.32 1ywx s ASP 56 Cb 0.08 1.83 -0.10 0.00 1.07 0.00 0.00 42.92 45.79 1ywx s ASP 56 CO 0.14 -0.23 1.21 -1.58 1.18 0.00 0.00 175.17 175.89 1ywx s GLN 57 N 2.30 4.49 -0.04 8.23 0.74 -1.26 -0.10 119.66 134.02 1ywx s GLN 57 Ca -0.08 2.02 -0.20 0.00 0.05 0.00 0.00 55.36 57.15 1ywx s GLN 57 Cb -0.09 -3.13 -0.05 0.00 1.10 0.00 0.00 33.01 30.84 1ywx s GLN 57 CO -0.19 0.00 0.59 0.42 -0.55 0.00 0.00 175.29 175.56 1ywx s ILE 58 N -1.12 5.01 -0.09 -2.34 -1.09 0.50 -4.87 121.20 117.19 1ywx s ILE 58 Ca 0.47 1.21 -0.27 0.00 -2.23 0.00 0.00 60.65 59.83 1ywx s ILE 58 Cb -0.36 -3.92 -0.24 0.00 -1.58 0.00 0.00 42.46 36.36 1ywx s ILE 58 CO 0.47 0.36 0.97 0.15 -1.23 0.00 0.00 174.94 175.66 1ywx h PHE 59 N 6.11 0.06 -0.83 3.97 3.04 -1.95 -3.33 116.94 124.00 1ywx h PHE 59 Ca -0.43 -0.03 0.13 0.00 3.98 0.00 0.00 57.97 61.61 1ywx h PHE 59 Cb 1.20 -0.01 -0.13 0.00 2.56 0.00 0.00 35.95 39.56 1ywx h PHE 59 CO 0.65 0.85 -0.33 0.41 -2.02 0.00 0.00 178.31 177.87 1ywx n GLY 60 N 1.10 -1.72 0.00 2.40 0.00 -1.26 -4.70 105.19 101.01 1ywx n GLY 60 Ca -0.10 0.93 0.00 0.00 0.00 0.00 0.00 46.02 46.86 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 -5.23 1.04 -1.41 1.61 2.85 -1.25 -5.03 118.16 110.75 1ywx n LYS 61 Ca 0.08 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 57.00 1ywx n LYS 61 Cb 0.33 0.00 0.07 0.00 -0.65 0.00 0.00 35.03 34.79 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 7.49 -5.00 -5.58 4.77 -1.26 -4.57 117.00 112.86 1ywx n LEU 62 Ca 0.00 -4.35 -0.21 0.00 -0.03 0.00 0.00 56.01 51.42 1ywx n LEU 62 Cb 0.00 -0.93 0.06 0.00 -2.33 0.00 0.00 43.42 40.21 1ywx n LEU 62 CO 0.00 1.53 0.38 -0.70 -1.33 0.00 0.00 177.39 177.27 1ywx s GLU 63 N -3.82 2.29 -0.30 3.23 2.12 -1.26 -2.99 118.70 117.97 1ywx s GLU 63 Ca 0.63 -1.14 -0.10 0.00 0.36 0.00 0.00 54.97 54.73 1ywx s GLU 63 Cb 0.50 -2.52 0.14 0.00 0.26 0.00 0.00 34.13 32.50 1ywx s GLU 63 CO -0.02 -0.88 0.67 0.00 -0.54 0.00 0.00 175.26 174.49 1ywx s ALA 64 N -2.78 -2.12 -0.06 6.30 0.00 0.11 0.19 121.76 123.40 1ywx s ALA 64 Ca 0.60 2.29 -0.04 0.00 0.00 0.00 0.00 51.96 54.82 1ywx s ALA 64 Cb -0.08 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 1ywx s ALA 64 CO 0.39 -0.96 0.12 -2.00 0.00 0.00 0.00 175.76 173.31 1ywx s GLU 65 N 2.86 3.29 0.30 0.00 2.12 0.85 0.15 118.70 128.28 1ywx s GLU 65 Ca -0.04 -0.29 -0.20 0.00 0.36 0.00 0.00 54.97 54.80 1ywx s GLU 65 Cb -0.12 -3.04 0.04 0.00 0.26 0.00 0.00 34.13 31.28 1ywx s GLU 65 CO -0.19 0.71 0.79 0.20 -0.54 0.00 0.00 175.26 176.23 1ywx s GLY 66 N -1.38 0.06 0.15 -1.50 0.00 -1.02 0.82 107.32 104.45 1ywx s GLY 66 Ca 0.19 -0.41 0.11 0.00 0.00 0.00 0.00 44.72 44.61 1ywx s GLY 66 CO 0.09 -0.00 -0.25 -0.47 0.00 0.00 0.00 173.10 172.47 1ywx s TYR 67 N -3.20 2.23 0.14 1.90 5.04 0.29 -2.58 117.35 121.17 1ywx s TYR 67 Ca 0.13 -0.38 0.11 0.00 -2.44 0.00 0.00 57.07 54.49 1ywx s TYR 67 Cb -0.05 -1.16 -0.04 0.00 0.35 0.00 0.00 41.96 41.06 1ywx s TYR 67 CO 0.08 0.39 -0.25 0.00 -1.34 0.00 0.00 175.55 174.43 1ywx s ALA 68 N -1.37 2.30 0.02 3.97 0.00 0.22 -0.67 121.76 126.23 1ywx s ALA 68 Ca 0.16 -1.47 -0.02 0.00 0.00 0.00 0.00 51.96 50.63 1ywx s ALA 68 Cb -0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 1ywx s ALA 68 CO 0.07 0.47 0.01 0.21 0.00 0.00 0.00 175.76 176.53 1ywx s LYS 69 N -2.20 0.36 -0.01 0.00 2.36 -0.99 -2.31 119.74 116.94 1ywx s LYS 69 Ca 0.14 -0.59 0.00 0.00 -2.55 0.00 0.00 55.97 52.98 1ywx s LYS 69 Cb -0.09 0.14 0.02 0.00 -1.05 0.00 0.00 37.83 36.84 1ywx s LYS 69 CO 0.07 -0.07 0.02 0.42 1.55 0.00 0.00 175.35 177.33 1ywx s ILE 70 N -1.54 -0.02 0.13 5.43 1.01 -1.19 -3.05 121.20 121.97 1ywx s ILE 70 Ca -0.15 0.13 0.09 0.00 0.00 0.00 0.00 60.65 60.72 1ywx s ILE 70 Cb -0.09 -0.08 -0.04 0.00 0.01 0.00 0.00 42.46 42.27 1ywx s ILE 70 CO -0.01 0.06 -0.15 -0.72 0.00 0.00 0.00 174.94 174.13 1ywx s TYR 71 N 0.70 2.60 0.07 3.97 1.13 -1.25 0.15 117.35 124.72 1ywx s TYR 71 Ca -0.06 -0.23 -0.08 0.00 -1.41 0.00 0.00 57.07 55.29 1ywx s TYR 71 Cb -0.09 -1.35 -0.29 0.00 -1.10 0.00 0.00 41.96 39.13 1ywx s TYR 71 CO -0.02 0.42 1.11 -0.91 -2.51 0.00 0.00 175.55 173.65 1ywx h ASN 72 N 3.55 0.56 -4.32 -0.18 2.35 -1.81 -3.46 115.58 112.27 1ywx h ASN 72 Ca -0.49 -0.59 -0.15 0.00 -0.55 0.00 0.00 56.30 54.52 1ywx h ASN 72 Cb 1.17 -0.18 -0.23 0.00 0.05 0.00 0.00 38.32 39.13 1ywx h ASN 72 CO 0.49 1.45 -0.40 1.51 -1.65 0.00 0.00 177.43 178.83 1ywx s ASP 73 N -7.27 -0.19 0.25 5.81 -4.77 -1.26 -5.04 116.67 104.20 1ywx s ASP 73 Ca -0.06 0.27 0.08 0.00 -3.30 0.00 0.00 52.55 49.55 1ywx s ASP 73 Cb 0.06 0.41 0.28 0.00 -1.09 0.00 0.00 42.92 42.59 1ywx s ASP 73 CO 0.90 -0.23 1.57 -0.33 0.70 0.00 0.00 175.17 177.79 1ywx h GLU 74 N 5.03 0.07 -0.88 2.11 3.07 -1.98 -2.41 114.58 119.59 1ywx h GLU 74 Ca -0.28 -0.05 0.12 0.00 -0.50 0.00 0.00 59.36 58.65 1ywx h GLU 74 Cb 1.19 0.01 -0.08 0.00 -0.84 0.00 0.00 28.75 29.02 1ywx h GLU 74 CO 0.37 0.69 0.51 0.87 -1.40 0.00 0.00 179.01 180.05 1ywx h LYS 75 N 0.05 0.76 0.05 2.33 6.56 -1.98 1.82 116.57 126.15 1ywx h LYS 75 Ca -0.01 -0.05 -0.00 0.00 -1.06 0.00 0.00 60.65 59.53 1ywx h LYS 75 Cb 1.16 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 32.65 1ywx h LYS 75 CO 0.09 0.50 -0.02 0.00 -2.06 0.00 0.00 179.45 177.96 1ywx h ALA 76 N 1.52 -0.07 -0.22 3.86 0.00 -1.95 -3.14 119.26 119.26 1ywx h ALA 76 Ca 0.45 -0.32 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1ywx h ALA 76 Cb 0.51 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1ywx h ALA 76 CO -0.29 -0.15 -0.10 1.98 0.00 0.00 0.00 179.25 180.69 1ywx h MET 77 N -0.84 -0.07 -0.86 0.00 1.85 -0.90 1.10 114.93 115.20 1ywx h MET 77 Ca -0.01 0.00 0.22 0.00 -0.61 0.00 0.00 59.70 59.31 1ywx h MET 77 Cb 0.66 0.02 -0.13 0.00 0.43 0.00 0.00 31.60 32.57 1ywx h MET 77 CO 0.01 -0.05 0.27 0.00 -0.40 0.00 0.00 176.91 176.75 1ywx h ALA 78 N 1.12 1.28 0.08 0.39 0.00 0.27 0.15 119.26 122.54 1ywx h ALA 78 Ca 0.12 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1ywx h ALA 78 Cb 0.24 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ywx h ALA 78 CO -0.26 -0.42 -0.04 1.15 0.00 0.00 0.00 179.25 179.68 1ywx h THR 79 N 0.27 0.95 0.00 0.00 2.02 -1.16 -3.37 112.91 111.62 1ywx h THR 79 Ca 0.54 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 66.26 1ywx h THR 79 Cb 1.05 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 69.16 1ywx h THR 79 CO -0.60 0.29 0.00 -0.38 0.37 0.00 0.00 175.52 175.20 1ywx n ILE 80 N -4.80 0.00 -2.28 3.11 5.41 0.37 -4.58 119.36 116.58 1ywx n ILE 80 Ca -0.07 1.48 -0.26 0.00 1.00 0.00 0.00 62.75 64.91 1ywx n ILE 80 Cb 0.27 -2.01 0.12 0.00 -0.71 0.00 0.00 39.64 37.31 1ywx n ILE 80 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1ywx s GLU 81 N -2.93 1.54 0.00 0.38 0.41 0.42 -5.07 118.70 113.46 1ywx s GLU 81 Ca 0.00 -0.65 0.00 0.00 -0.41 0.00 0.00 54.97 53.91 1ywx s GLU 81 Cb 0.00 -2.15 0.00 0.00 -1.78 0.00 0.00 34.13 30.20 1ywx s GLU 81 CO 0.00 -1.65 0.00 0.25 -0.49 0.00 0.00 175.26 173.37 1ywx n THR 82 N -3.12 0.00 0.21 3.63 -2.24 -1.26 -4.67 114.28 106.84 1ywx n THR 82 Ca 0.13 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.98 1ywx n THR 82 Cb 0.60 -0.72 0.48 0.00 -2.10 0.00 0.00 70.33 68.59 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 -0.38 -0.78 -0.00 -1.95 -0.05 116.57 113.41 1ywx h LYS 83 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 60.65 60.70 1ywx h LYS 83 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 32.19 1ywx h LYS 83 CO 0.00 0.28 0.12 0.77 -0.00 0.00 0.00 179.45 180.62 1ywx h SER 84 N 0.00 0.11 0.00 7.07 0.02 -1.98 1.51 113.55 120.27 1ywx h SER 84 Ca -0.00 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1ywx h SER 84 Cb 0.61 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1ywx h SER 84 CO 0.04 0.10 -0.00 0.58 -1.14 0.00 0.00 176.83 176.40 1ywx h VAL 85 N 0.27 1.25 -0.05 2.27 2.07 -1.88 -3.23 116.25 116.95 1ywx h VAL 85 Ca 0.18 -1.93 0.01 0.00 0.82 0.00 0.00 66.70 65.78 1ywx h VAL 85 Cb 0.17 2.36 -0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1ywx h VAL 85 CO -0.19 0.42 0.25 -0.07 0.02 0.00 0.00 177.57 178.00 1ywx h LEU 86 N -1.00 0.00 0.38 2.57 3.38 -0.94 -0.97 115.31 118.74 1ywx h LEU 86 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1ywx h LEU 86 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1ywx h LEU 86 CO 0.00 0.00 -0.19 -0.33 0.09 0.00 0.00 178.44 178.01 1ywx h GLU 87 N 0.00 -0.50 -0.87 1.13 4.39 0.21 0.45 114.58 119.39 1ywx h GLU 87 Ca 0.02 0.03 0.20 0.00 0.34 0.00 0.00 59.36 59.95 1ywx h GLU 87 Cb 0.52 0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 29.22 1ywx h GLU 87 CO -0.00 -0.33 0.58 1.57 -1.16 0.00 0.00 179.01 179.66 1ywx h LYS 88 N -0.52 0.37 -0.87 2.33 2.10 -1.28 0.63 116.57 119.33 1ywx h LYS 88 Ca -0.05 -0.02 -0.54 0.00 -2.00 0.00 0.00 60.65 58.04 1ywx h LYS 88 Cb 0.40 -0.08 -0.29 0.00 -0.90 0.00 0.00 32.23 31.36 1ywx h LYS 88 CO 0.09 0.24 0.44 -1.71 -2.00 0.00 0.00 179.45 176.51 1ywx n ASN 89 N -4.49 5.42 -4.08 7.07 4.05 -0.71 -5.03 115.26 117.49 1ywx n ASN 89 Ca 0.18 -3.74 -0.36 0.00 0.45 0.00 0.00 54.58 51.11 1ywx n ASN 89 Cb 0.68 -0.80 0.06 0.00 1.23 0.00 0.00 39.78 40.95 1ywx n ASN 89 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 1ywx n LYS 90 N -0.99 -0.15 0.00 1.20 4.81 0.22 -4.87 118.16 118.38 1ywx n LYS 90 Ca 0.55 -0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 1ywx n LYS 90 Cb 1.04 -1.17 0.00 0.00 0.02 0.00 0.00 35.03 34.93 1ywx n LYS 90 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1ywx n ILE 91 N -3.04 0.00 -3.58 3.15 5.41 -1.26 -4.95 119.36 115.08 1ywx n ILE 91 Ca -0.01 0.90 -0.05 0.00 1.00 0.00 0.00 62.75 64.60 1ywx n ILE 91 Cb 0.61 -1.58 -0.02 0.00 -0.71 0.00 0.00 39.64 37.94 1ywx n ILE 91 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1ywx s GLU 92 N -0.80 0.37 0.40 0.38 2.56 -1.26 -5.19 118.70 115.16 1ywx s GLU 92 Ca 0.00 -0.12 0.04 0.00 0.00 0.00 0.00 54.97 54.89 1ywx s GLU 92 Cb 0.00 0.17 -0.02 0.00 2.00 0.00 0.00 34.13 36.28 1ywx s GLU 92 CO 0.00 -0.16 0.15 -1.83 -0.56 0.00 0.00 175.26 172.87 1ywx s GLU 93 N -2.43 1.92 0.00 4.30 -1.05 -1.26 -5.17 118.70 115.02 1ywx s GLU 93 Ca 0.09 -2.17 0.00 0.00 -0.15 0.00 0.00 54.97 52.74 1ywx s GLU 93 Cb -0.01 -0.46 0.00 0.00 -0.44 0.00 0.00 34.13 33.22 1ywx s GLU 93 CO -0.05 -0.52 0.00 -0.85 0.95 0.00 0.00 175.26 174.79 1ywx n GLU 94 N -0.88 3.02 -2.48 -4.83 0.28 -1.26 -4.93 120.64 109.56 1ywx n GLU 94 Ca -0.04 0.00 -0.00 0.00 -0.16 0.00 0.00 57.16 56.96 1ywx n GLU 94 Cb 0.64 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.51 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 -3.40 -0.32 -1.84 0.00 -1.26 -4.86 120.51 105.83 1ywx n ALA 95 Ca 0.00 0.41 -0.08 0.00 0.00 0.00 0.00 53.44 53.76 1ywx n ALA 95 Cb 0.00 -0.82 -0.08 0.00 0.00 0.00 0.00 19.45 18.55 1ywx n ALA 95 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ywx n GLU 96 N 0.56 -0.34 -3.68 0.00 1.02 -1.26 -4.49 120.64 112.46 1ywx n GLU 96 Ca 0.00 1.33 -0.10 0.00 -0.02 0.00 0.00 57.16 58.37 1ywx n GLU 96 Cb 0.00 -1.96 -0.10 0.00 -0.02 0.00 0.00 31.44 29.36 1ywx n GLU 96 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ywx s ALA 97 N -5.19 -1.10 0.22 0.62 0.00 -1.26 -5.01 121.76 110.04 1ywx s ALA 97 Ca -0.09 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.39 1ywx s ALA 97 Cb 0.08 -1.12 0.00 0.00 0.00 0.00 0.00 23.12 22.09 1ywx s ALA 97 CO 0.47 -0.50 0.00 -1.91 0.00 0.00 0.00 175.76 173.83 1ywx n GLU 98 N 4.80 0.00 -0.57 0.00 2.13 -1.26 -5.16 120.64 120.57 1ywx n GLU 98 Ca -0.16 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.74 1ywx n GLU 98 Cb 0.53 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.22 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 -3.02 0.00 0.00 6.31 0.24 -1.26 -5.03 118.33 115.57 1ywx n VAL 99 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1ywx n VAL 99 Cb 0.00 -0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.17 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 -1.18 0.00 -0.71 2.33 0.00 -1.26 -5.16 120.51 114.53 1ywx n ALA 100 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1ywx n ALA 100 Cb 0.26 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.87 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 -0.04 -1.44 0.00 0.00 2.13 -1.26 -4.96 120.64 115.07 1ywx n GLU 101 Ca 0.00 -0.41 0.00 0.00 0.66 0.00 0.00 57.16 57.41 1ywx n GLU 101 Cb 0.00 -1.60 0.00 0.00 0.27 0.00 0.00 31.44 30.11 1ywx n GLU 101 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11