#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 5.27 0.05 7.83 1.11 -1.13 -5.02 116.67 124.78 1ywx s ASP 2 Ca 0.00 -2.48 0.09 0.00 0.18 0.00 0.00 52.55 50.34 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 -0.46 -0.24 -0.63 1.18 0.00 0.00 175.17 175.02 1ywx s ILE 3 N 0.49 1.95 -0.04 0.77 1.01 -1.26 0.16 121.20 124.28 1ywx s ILE 3 Ca 0.13 -1.35 -0.01 0.00 0.00 0.00 0.00 60.65 59.42 1ywx s ILE 3 Cb -0.21 -1.68 0.03 0.00 0.01 0.00 0.00 42.46 40.60 1ywx s ILE 3 CO -0.04 0.27 0.07 -0.55 0.00 0.00 0.00 174.94 174.70 1ywx s SER 4 N -1.30 -0.02 0.08 3.58 0.15 -0.59 -4.95 113.70 110.65 1ywx s SER 4 Ca 0.10 0.14 -0.28 0.00 0.70 0.00 0.00 55.95 56.61 1ywx s SER 4 Cb -0.10 0.05 -0.05 0.00 -1.71 0.00 0.00 66.02 64.21 1ywx s SER 4 CO 0.02 -0.12 0.91 -0.63 1.20 0.00 0.00 173.24 174.62 1ywx s ILE 5 N 0.92 4.61 -0.18 6.45 -1.09 -1.26 0.58 121.20 131.23 1ywx s ILE 5 Ca -0.07 1.94 -0.15 0.00 -2.23 0.00 0.00 60.65 60.13 1ywx s ILE 5 Cb -0.10 -4.26 -0.07 0.00 -1.58 0.00 0.00 42.46 36.45 1ywx s ILE 5 CO -0.03 0.31 -0.28 -0.38 -1.23 0.00 0.00 174.94 173.33 1ywx n ILE 6 N 2.94 1.48 -4.06 2.92 2.08 0.26 -4.92 119.36 120.06 1ywx n ILE 6 Ca 0.01 0.09 -0.09 0.00 0.56 0.00 0.00 62.75 63.32 1ywx n ILE 6 Cb 0.50 -2.29 -0.09 0.00 -0.75 0.00 0.00 39.64 37.01 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 -6.09 0.22 -0.32 4.38 0.01 -0.64 -4.98 113.70 106.27 1ywx s SER 7 Ca -0.26 -1.03 -0.01 0.00 1.31 0.00 0.00 55.95 55.96 1ywx s SER 7 Cb 0.05 0.34 0.11 0.00 0.21 0.00 0.00 66.02 66.73 1ywx s SER 7 CO 0.39 -0.78 0.13 1.51 0.41 0.00 0.00 173.24 174.91 1ywx s ASP 8 N -2.99 3.76 -0.14 2.44 -4.77 -1.26 -0.95 116.67 112.75 1ywx s ASP 8 Ca 0.19 -1.72 -0.05 0.00 -3.30 0.00 0.00 52.55 47.66 1ywx s ASP 8 Cb 0.06 -0.71 -0.04 0.00 -1.09 0.00 0.00 42.92 41.14 1ywx s ASP 8 CO -0.01 -0.39 0.05 -0.13 0.70 0.00 0.00 175.17 175.39 1ywx s ARG 9 N 1.53 3.56 -0.14 2.11 1.81 0.69 -5.00 118.95 123.51 1ywx s ARG 9 Ca 0.11 -0.33 0.01 0.00 -1.72 0.00 0.00 55.73 53.80 1ywx s ARG 9 Cb -0.18 -3.07 -0.00 0.00 -0.45 0.00 0.00 34.95 31.25 1ywx s ARG 9 CO -0.22 0.49 -0.16 1.21 -0.68 0.00 0.00 175.30 175.94 1ywx s ASN 10 N -0.27 3.61 -0.46 0.23 2.47 -1.26 -0.46 114.94 118.80 1ywx s ASN 10 Ca 0.08 -0.47 0.03 0.00 0.42 0.00 0.00 52.86 52.92 1ywx s ASN 10 Cb -0.12 -1.55 0.13 0.00 -1.45 0.00 0.00 41.25 38.26 1ywx s ASN 10 CO 0.02 0.11 0.22 0.20 -3.72 0.00 0.00 177.10 173.92 1ywx s ASN 11 N 0.68 4.16 0.05 -4.21 0.02 -0.59 -4.94 114.94 110.12 1ywx s ASN 11 Ca -0.08 -2.73 -0.16 0.00 -1.02 0.00 0.00 52.86 48.87 1ywx s ASN 11 Cb -0.16 -1.42 -0.21 0.00 0.02 0.00 0.00 41.25 39.48 1ywx s ASN 11 CO 0.02 -0.27 1.19 1.55 0.02 0.00 0.00 177.10 179.61 1ywx h PRO 12 N 6.77 0.61 0.02 -0.60 0.13 -1.95 0.64 132.00 137.62 1ywx h PRO 12 Ca -0.06 -0.59 0.02 0.00 -0.87 0.00 0.00 66.00 64.50 1ywx h PRO 12 Cb 0.92 0.15 -0.05 0.00 0.13 0.00 0.00 31.00 32.16 1ywx h PRO 12 CO 0.60 1.20 -0.45 -0.07 -0.23 0.00 0.00 178.00 179.05 1ywx h LEU 13 N 0.23 -1.39 -1.45 1.56 4.07 -1.92 0.44 115.31 116.85 1ywx h LEU 13 Ca -0.08 0.15 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1ywx h LEU 13 Cb 1.44 0.52 0.00 0.00 1.08 0.00 0.00 40.66 43.70 1ywx h LEU 13 CO 0.15 -0.45 0.00 -0.07 -1.08 0.00 0.00 178.44 177.00 1ywx h LEU 14 N -0.58 0.00 -2.67 1.67 3.38 -1.99 -3.46 115.31 111.65 1ywx h LEU 14 Ca 0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1ywx h LEU 14 Cb 0.62 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.46 1ywx h LEU 14 CO -0.29 0.00 -0.39 0.00 0.09 0.00 0.00 178.44 177.85 1ywx n GLN 15 N -2.50 -1.21 -3.64 1.13 6.02 0.15 -4.84 117.38 112.49 1ywx n GLN 15 Ca -0.00 0.40 -0.03 0.00 -0.01 0.00 0.00 57.00 57.36 1ywx n GLN 15 Cb 0.14 -3.56 -0.06 0.00 1.02 0.00 0.00 30.24 27.78 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 -3.73 0.10 -0.06 -1.09 1.70 0.22 -2.13 118.95 113.96 1ywx s ARG 16 Ca 0.20 0.09 0.00 0.00 -0.47 0.00 0.00 55.73 55.54 1ywx s ARG 16 Cb -0.03 0.05 -0.03 0.00 -0.57 0.00 0.00 34.95 34.37 1ywx s ARG 16 CO 0.34 -0.02 -0.03 0.50 -1.08 0.00 0.00 175.30 175.02 1ywx s ARG 17 N -0.24 2.84 -0.13 3.89 3.52 0.47 -1.54 118.95 127.76 1ywx s ARG 17 Ca 0.07 -0.51 0.01 0.00 -0.13 0.00 0.00 55.73 55.16 1ywx s ARG 17 Cb -0.04 -2.68 0.02 0.00 -1.56 0.00 0.00 34.95 30.69 1ywx s ARG 17 CO -0.13 0.67 -0.13 -1.83 -0.81 0.00 0.00 175.30 173.07 1ywx s GLU 18 N -1.02 2.07 -0.14 5.12 -1.05 0.39 0.15 118.70 124.22 1ywx s GLU 18 Ca 0.14 -0.48 0.02 0.00 -0.15 0.00 0.00 54.97 54.50 1ywx s GLU 18 Cb -0.11 -1.90 0.02 0.00 -0.44 0.00 0.00 34.13 31.69 1ywx s GLU 18 CO 0.04 -0.19 -0.18 0.42 0.95 0.00 0.00 175.26 176.30 1ywx s ILE 19 N 1.39 1.79 -0.00 1.83 1.01 0.46 -0.22 121.20 127.45 1ywx s ILE 19 Ca 0.01 -0.80 -0.21 0.00 0.00 0.00 0.00 60.65 59.66 1ywx s ILE 19 Cb -0.13 -1.61 -0.05 0.00 0.01 0.00 0.00 42.46 40.67 1ywx s ILE 19 CO -0.07 0.50 0.60 -0.75 0.00 0.00 0.00 174.94 175.21 1ywx s LYS 20 N 1.06 4.32 0.37 2.79 2.47 -0.13 -0.12 119.74 130.50 1ywx s LYS 20 Ca -0.03 0.74 -0.10 0.00 -1.56 0.00 0.00 55.97 55.02 1ywx s LYS 20 Cb -0.14 -3.34 0.04 0.00 -1.46 0.00 0.00 37.83 32.92 1ywx s LYS 20 CO -0.05 0.37 0.65 1.97 0.16 0.00 0.00 175.35 178.45 1ywx n PHE 21 N 2.73 -1.99 -4.24 4.03 1.16 -1.09 0.90 117.46 118.97 1ywx n PHE 21 Ca -0.07 -1.97 -0.16 0.00 -1.87 0.00 0.00 57.45 53.38 1ywx n PHE 21 Cb 0.51 0.76 -0.11 0.00 -1.61 0.00 0.00 39.48 39.03 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 -2.39 1.25 -0.05 1.97 2.01 0.20 -2.47 115.64 116.16 1ywx s THR 22 Ca 0.20 -1.85 -0.02 0.00 0.31 0.00 0.00 61.69 60.33 1ywx s THR 22 Cb -0.03 -1.64 0.04 0.00 0.01 0.00 0.00 72.50 70.87 1ywx s THR 22 CO 0.15 -0.56 0.10 0.54 -0.69 0.00 0.00 174.62 174.16 1ywx s VAL 23 N -2.62 -0.06 0.13 3.82 0.11 0.50 -1.54 120.40 120.73 1ywx s VAL 23 Ca 0.12 0.20 0.05 0.00 -2.93 0.00 0.00 61.98 59.42 1ywx s VAL 23 Cb -0.02 -0.19 -0.04 0.00 -1.53 0.00 0.00 36.38 34.61 1ywx s VAL 23 CO 0.02 0.08 -0.12 -0.55 -3.33 0.00 0.00 175.10 171.21 1ywx s SER 24 N 1.19 1.78 0.25 3.54 0.15 0.12 -0.32 113.70 120.42 1ywx s SER 24 Ca -0.09 -0.88 -0.06 0.00 0.70 0.00 0.00 55.95 55.62 1ywx s SER 24 Cb -0.12 -0.03 0.02 0.00 -1.71 0.00 0.00 66.02 64.18 1ywx s SER 24 CO -0.05 -0.24 0.43 2.22 1.20 0.00 0.00 173.24 176.80 1ywx n PHE 25 N 0.28 -1.55 -3.38 3.44 1.16 -1.18 -2.85 117.46 113.38 1ywx n PHE 25 Ca -0.14 -1.39 -0.44 0.00 -1.87 0.00 0.00 57.45 53.61 1ywx n PHE 25 Cb 0.58 0.50 -0.01 0.00 -1.61 0.00 0.00 39.48 38.95 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 -2.41 7.13 0.61 5.98 1.01 -1.26 -4.78 116.67 122.94 1ywx s ASP 26 Ca 0.15 -3.59 0.00 0.00 0.71 0.00 0.00 52.55 49.82 1ywx s ASP 26 Cb -0.02 -2.17 0.00 0.00 1.01 0.00 0.00 42.92 41.74 1ywx s ASP 26 CO 0.11 -0.28 0.00 0.00 0.21 0.00 0.00 175.17 175.21 1ywx n ALA 27 N 2.69 -2.94 -1.32 5.23 0.00 -1.26 -5.00 120.51 117.90 1ywx n ALA 27 Ca 0.23 0.73 0.00 0.00 0.00 0.00 0.00 53.44 54.40 1ywx n ALA 27 Cb 0.39 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.31 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 -3.55 -1.99 -2.52 0.00 0.00 -1.26 -4.99 120.51 106.20 1ywx n ALA 28 Ca -0.05 0.36 -0.32 0.00 0.00 0.00 0.00 53.44 53.43 1ywx n ALA 28 Cb 0.59 -1.23 -0.12 0.00 0.00 0.00 0.00 19.45 18.69 1ywx n ALA 28 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1ywx s THR 29 N -2.70 3.24 0.00 0.00 -1.32 -1.26 -4.91 115.64 108.69 1ywx s THR 29 Ca 0.00 -0.79 0.00 0.00 -1.21 0.00 0.00 61.69 59.69 1ywx s THR 29 Cb 0.00 -2.33 0.00 0.00 -1.51 0.00 0.00 72.50 68.66 1ywx s THR 29 CO 0.00 0.50 0.00 -0.81 -2.21 0.00 0.00 174.62 172.10 1ywx n PRO 30 N 1.97 0.00 -3.00 7.08 -0.04 -1.26 -5.11 135.00 134.64 1ywx n PRO 30 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1ywx n PRO 30 Cb 0.52 -0.12 0.00 0.00 -0.04 0.00 0.00 33.50 33.86 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 0.00 0.00 0.13 3.54 7.64 -1.26 -4.96 113.62 118.71 1ywx n SER 31 Ca 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.78 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 0.00 0.39 -0.58 0.44 2.04 -1.99 0.28 117.51 118.09 1ywx h ILE 32 Ca 0.00 -0.82 0.04 0.00 1.00 0.00 0.00 64.86 65.08 1ywx h ILE 32 Cb 0.00 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 1ywx h ILE 32 CO 0.00 0.10 0.39 0.11 0.00 0.00 0.00 178.15 178.75 1ywx h LYS 33 N -1.00 0.62 0.00 2.37 6.56 -1.97 1.48 116.57 124.62 1ywx h LYS 33 Ca -0.04 -0.04 -0.12 0.00 -1.06 0.00 0.00 60.65 59.39 1ywx h LYS 33 Cb 0.46 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 31.97 1ywx h LYS 33 CO 0.07 0.41 -0.56 -0.44 -2.06 0.00 0.00 179.45 176.87 1ywx h ASP 34 N 0.64 0.00 0.00 0.86 5.19 -1.93 -2.65 116.42 118.53 1ywx h ASP 34 Ca 0.24 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.64 1ywx h ASP 34 Cb 0.16 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.67 1ywx h ASP 34 CO -0.07 0.56 -0.12 0.58 -3.12 0.00 0.00 179.24 177.07 1ywx h VAL 35 N 0.00 0.78 -0.55 -1.35 2.07 0.26 -3.28 116.25 114.19 1ywx h VAL 35 Ca -0.01 -1.62 0.16 0.00 0.82 0.00 0.00 66.70 66.05 1ywx h VAL 35 Cb 1.17 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 1ywx h VAL 35 CO 0.07 0.26 0.62 0.07 0.02 0.00 0.00 177.57 178.62 1ywx h LYS 36 N -1.00 0.00 -0.22 1.57 5.09 0.18 0.31 116.57 122.50 1ywx h LYS 36 Ca -0.02 0.00 0.06 0.00 0.09 0.00 0.00 60.65 60.77 1ywx h LYS 36 Cb 0.53 0.00 -0.06 0.00 0.10 0.00 0.00 32.23 32.79 1ywx h LYS 36 CO -0.01 0.00 -0.21 0.52 -2.09 0.00 0.00 179.45 177.65 1ywx h MET 37 N 0.00 -0.22 0.07 0.07 2.86 -1.52 1.48 114.93 117.67 1ywx h MET 37 Ca 0.26 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.91 1ywx h MET 37 Cb 1.49 0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.20 1ywx h MET 37 CO -0.00 -0.15 -0.04 0.87 1.06 0.00 0.00 176.91 178.66 1ywx h LYS 38 N -0.23 -0.09 -0.95 1.72 6.56 -1.10 -2.95 116.57 119.53 1ywx h LYS 38 Ca 0.13 0.01 0.19 0.00 -1.06 0.00 0.00 60.65 59.92 1ywx h LYS 38 Cb 0.42 0.02 -0.08 0.00 -0.57 0.00 0.00 32.23 32.02 1ywx h LYS 38 CO -0.35 0.32 0.61 -0.07 -2.06 0.00 0.00 179.45 177.90 1ywx h LEU 39 N -0.54 0.60 -1.07 2.94 3.38 -1.18 0.55 115.31 119.98 1ywx h LEU 39 Ca -0.01 0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.13 1ywx h LEU 39 Cb 0.46 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.09 1ywx h LEU 39 CO 0.02 0.24 0.62 0.58 0.09 0.00 0.00 178.44 179.98 1ywx h VAL 40 N 0.60 0.96 -0.07 1.22 2.07 0.22 1.46 116.25 122.71 1ywx h VAL 40 Ca 0.51 -0.34 -0.17 0.00 0.82 0.00 0.00 66.70 67.53 1ywx h VAL 40 Cb 1.00 -0.11 0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1ywx h VAL 40 CO -0.26 0.18 -0.62 0.00 0.02 0.00 0.00 177.57 176.89 1ywx h ALA 41 N 1.53 0.17 0.14 1.67 0.00 0.08 1.48 119.26 124.34 1ywx h ALA 41 Ca 0.46 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ywx h ALA 41 Cb 0.43 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1ywx h ALA 41 CO -0.22 0.44 -0.07 0.28 0.00 0.00 0.00 179.25 179.68 1ywx h VAL 42 N 0.14 0.90 -0.01 0.00 2.07 0.31 -2.77 116.25 116.88 1ywx h VAL 42 Ca -0.06 -0.17 -0.17 0.00 0.82 0.00 0.00 66.70 67.12 1ywx h VAL 42 Cb 1.29 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 1ywx h VAL 42 CO 0.13 0.04 -0.76 -0.07 0.02 0.00 0.00 177.57 176.93 1ywx h LEU 43 N -0.27 0.16 -2.36 2.57 3.38 0.19 -3.48 115.31 115.51 1ywx h LEU 43 Ca -0.02 -0.11 -0.37 0.00 0.09 0.00 0.00 57.88 57.47 1ywx h LEU 43 Cb 0.21 -0.05 0.11 0.00 0.09 0.00 0.00 40.66 41.03 1ywx h LEU 43 CO 0.03 0.85 -0.86 -3.20 0.09 0.00 0.00 178.44 175.35 1ywx n ASN 44 N -3.71 -3.93 -2.01 -0.43 5.15 0.51 -5.00 115.26 105.83 1ywx n ASN 44 Ca -0.02 -0.83 -0.02 0.00 -0.60 0.00 0.00 54.58 53.11 1ywx n ASN 44 Cb 0.72 -4.29 -0.00 0.00 -0.53 0.00 0.00 39.78 35.69 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 -3.94 0.02 -2.24 5.20 0.00 -1.15 -5.04 120.51 113.37 1ywx n ALA 45 Ca -0.18 -0.12 -0.39 0.00 0.00 0.00 0.00 53.44 52.76 1ywx n ALA 45 Cb 0.64 0.07 -0.03 0.00 0.00 0.00 0.00 19.45 20.12 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 -1.14 5.62 0.63 0.00 2.47 -1.26 -4.80 114.94 116.45 1ywx s ASN 46 Ca 0.00 -0.08 0.34 0.00 0.42 0.00 0.00 52.86 53.54 1ywx s ASN 46 Cb 0.00 -2.54 1.95 0.00 -1.45 0.00 0.00 41.25 39.21 1ywx s ASN 46 CO 0.00 -2.18 2.20 0.07 -3.72 0.00 0.00 177.10 173.47 1ywx h LYS 47 N 12.80 0.00 0.35 0.43 5.09 -1.93 -2.60 116.57 130.72 1ywx h LYS 47 Ca -0.22 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.51 1ywx h LYS 47 Cb 1.11 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.43 1ywx h LYS 47 CO 1.25 0.00 -0.27 1.96 -2.09 0.00 0.00 179.45 180.30 1ywx h GLN 48 N 0.00 -0.57 -2.21 0.07 4.20 -2.03 -3.04 115.11 111.52 1ywx h GLN 48 Ca 0.03 0.04 -0.75 0.00 0.06 0.00 0.00 58.65 58.03 1ywx h GLN 48 Cb 0.25 0.13 -0.23 0.00 0.30 0.00 0.00 27.48 27.92 1ywx h GLN 48 CO -0.00 -0.38 1.21 1.33 -0.67 0.00 0.00 178.83 180.32 1ywx n VAL 49 N -3.97 4.90 -4.19 -0.54 0.24 -0.99 -4.90 118.33 108.88 1ywx n VAL 49 Ca -0.07 -4.84 -0.18 0.00 -2.04 0.00 0.00 64.34 57.21 1ywx n VAL 49 Cb 0.26 -1.56 -0.15 0.00 -1.47 0.00 0.00 33.84 30.91 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 -3.60 1.63 0.35 1.34 0.20 -1.15 -3.84 118.68 113.61 1ywx s LEU 50 Ca 0.48 -0.12 -0.11 0.00 0.69 0.00 0.00 54.13 55.07 1ywx s LEU 50 Cb 0.28 -0.39 0.03 0.00 -0.43 0.00 0.00 46.19 45.68 1ywx s LEU 50 CO -0.22 0.01 0.63 -0.69 -0.29 0.00 0.00 176.35 175.79 1ywx s VAL 51 N 0.43 0.00 0.09 1.68 1.01 -1.18 -4.96 120.40 117.47 1ywx s VAL 51 Ca -0.05 -1.27 0.05 0.00 0.00 0.00 0.00 61.98 60.71 1ywx s VAL 51 Cb -0.09 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 1ywx s VAL 51 CO -0.00 0.00 -0.01 -0.69 0.00 0.00 0.00 175.10 174.40 1ywx s VAL 52 N -2.92 3.94 -0.11 2.92 1.01 -1.26 -2.57 120.40 121.40 1ywx s VAL 52 Ca 0.22 -1.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.08 1ywx s VAL 52 Cb -0.03 -2.87 -0.07 0.00 0.00 0.00 0.00 36.38 33.40 1ywx s VAL 52 CO 0.14 0.11 0.21 0.44 0.00 0.00 0.00 175.10 176.00 1ywx h ASP 53 N 3.44 0.00 -4.78 3.32 5.19 0.36 -3.45 116.42 120.50 1ywx h ASP 53 Ca -0.48 -0.27 0.12 0.00 -0.62 0.00 0.00 57.03 55.78 1ywx h ASP 53 Cb 1.17 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.54 1ywx h ASP 53 CO 0.59 0.64 0.49 -0.89 -3.12 0.00 0.00 179.24 176.95 1ywx s THR 54 N -1.74 0.00 0.19 0.35 2.01 -1.11 -4.96 115.64 110.39 1ywx s THR 54 Ca -0.05 -0.12 -0.01 0.00 0.31 0.00 0.00 61.69 61.81 1ywx s THR 54 Cb -0.01 -1.19 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 1ywx s THR 54 CO 0.19 0.00 0.12 -0.22 -0.69 0.00 0.00 174.62 174.03 1ywx s LEU 55 N -2.57 1.22 -0.30 4.42 2.96 -1.26 0.27 118.68 123.42 1ywx s LEU 55 Ca 0.06 -1.37 -0.08 0.00 -0.22 0.00 0.00 54.13 52.53 1ywx s LEU 55 Cb -0.01 0.38 0.16 0.00 0.50 0.00 0.00 46.19 47.22 1ywx s LEU 55 CO -0.07 -0.83 0.70 -1.81 -1.32 0.00 0.00 176.35 173.02 1ywx s ASP 56 N -3.15 -1.11 -0.14 3.68 1.01 0.36 -4.90 116.67 112.42 1ywx s ASP 56 Ca 0.37 1.16 -0.29 0.00 0.71 0.00 0.00 52.55 54.49 1ywx s ASP 56 Cb 0.07 2.12 -0.01 0.00 1.01 0.00 0.00 42.92 46.11 1ywx s ASP 56 CO 0.11 -0.21 1.11 -1.58 0.21 0.00 0.00 175.17 174.81 1ywx s GLN 57 N 2.83 4.32 0.41 8.23 0.74 -1.26 -0.02 119.66 134.92 1ywx s GLN 57 Ca 0.04 1.50 -0.26 0.00 0.05 0.00 0.00 55.36 56.69 1ywx s GLN 57 Cb -0.12 -3.62 -0.09 0.00 1.10 0.00 0.00 33.01 30.28 1ywx s GLN 57 CO -0.19 -0.51 1.36 0.42 -0.55 0.00 0.00 175.29 175.82 1ywx s ILE 58 N 2.69 2.39 -0.16 -2.34 1.01 0.54 -4.90 121.20 120.42 1ywx s ILE 58 Ca 0.50 0.35 -0.20 0.00 0.00 0.00 0.00 60.65 61.31 1ywx s ILE 58 Cb -0.19 -3.21 -0.23 0.00 0.01 0.00 0.00 42.46 38.83 1ywx s ILE 58 CO 0.15 0.06 0.41 0.15 0.00 0.00 0.00 174.94 175.71 1ywx h PHE 59 N 2.65 0.18 -0.97 3.97 3.04 -1.94 -3.37 116.94 120.49 1ywx h PHE 59 Ca -0.50 -0.13 0.13 0.00 3.98 0.00 0.00 57.97 61.45 1ywx h PHE 59 Cb 1.25 -0.01 -0.14 0.00 2.56 0.00 0.00 35.95 39.61 1ywx h PHE 59 CO 0.52 1.47 -0.46 0.78 -2.02 0.00 0.00 178.31 178.59 1ywx h GLY 60 N -0.49 -0.29 0.00 2.40 0.00 -1.96 -3.43 103.07 99.30 1ywx h GLY 60 Ca -0.29 0.62 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1ywx h GLY 60 CO -0.07 -0.11 0.00 0.58 0.00 0.00 0.00 176.54 176.94 1ywx n LYS 61 N -5.39 3.45 -1.81 4.80 2.85 -1.26 -5.04 118.16 115.76 1ywx n LYS 61 Ca 0.07 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 57.00 1ywx n LYS 61 Cb 0.35 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.77 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 6.63 -4.97 -5.58 4.77 -1.26 -4.69 117.00 111.90 1ywx n LEU 62 Ca 0.00 -4.68 -0.19 0.00 -0.03 0.00 0.00 56.01 51.11 1ywx n LEU 62 Cb 0.00 -0.79 0.01 0.00 -2.33 0.00 0.00 43.42 40.30 1ywx n LEU 62 CO 0.00 1.80 0.13 -0.70 -1.33 0.00 0.00 177.39 177.30 1ywx s GLU 63 N -3.81 2.66 -0.27 3.23 2.12 -1.26 -3.08 118.70 118.29 1ywx s GLU 63 Ca 0.56 -1.40 -0.21 0.00 0.36 0.00 0.00 54.97 54.28 1ywx s GLU 63 Cb 0.45 -2.62 0.07 0.00 0.26 0.00 0.00 34.13 32.29 1ywx s GLU 63 CO -0.14 -0.35 0.68 0.00 -0.54 0.00 0.00 175.26 174.92 1ywx s ALA 64 N -2.44 -1.76 0.00 6.30 0.00 0.57 0.20 121.76 124.63 1ywx s ALA 64 Ca 0.53 2.13 0.07 0.00 0.00 0.00 0.00 51.96 54.69 1ywx s ALA 64 Cb -0.07 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 1ywx s ALA 64 CO 0.32 -0.35 -0.20 -2.00 0.00 0.00 0.00 175.76 173.53 1ywx s GLU 65 N 0.89 1.57 0.17 0.00 2.12 0.98 0.19 118.70 124.61 1ywx s GLU 65 Ca -0.04 -0.79 -0.22 0.00 0.36 0.00 0.00 54.97 54.28 1ywx s GLU 65 Cb -0.05 -1.57 0.06 0.00 0.26 0.00 0.00 34.13 32.83 1ywx s GLU 65 CO -0.08 0.42 0.59 0.20 -0.54 0.00 0.00 175.26 175.85 1ywx s GLY 66 N -0.70 -0.50 -0.15 -1.50 0.00 -1.03 0.13 107.32 103.58 1ywx s GLY 66 Ca 0.08 0.32 -0.05 0.00 0.00 0.00 0.00 44.72 45.06 1ywx s GLY 66 CO 0.00 0.06 0.02 -0.47 0.00 0.00 0.00 173.10 172.71 1ywx s TYR 67 N -3.78 3.17 -0.23 1.90 6.14 0.14 -2.67 117.35 122.03 1ywx s TYR 67 Ca 0.03 0.01 -0.08 0.00 0.64 0.00 0.00 57.07 57.66 1ywx s TYR 67 Cb -0.01 -1.96 -0.04 0.00 0.42 0.00 0.00 41.96 40.37 1ywx s TYR 67 CO -0.10 0.20 0.09 0.00 0.64 0.00 0.00 175.55 176.38 1ywx s ALA 68 N -0.01 3.36 0.09 3.97 0.00 0.83 0.10 121.76 130.11 1ywx s ALA 68 Ca 0.04 -0.94 0.08 0.00 0.00 0.00 0.00 51.96 51.14 1ywx s ALA 68 Cb -0.13 -2.10 -0.03 0.00 0.00 0.00 0.00 23.12 20.86 1ywx s ALA 68 CO 0.02 -0.20 -0.22 0.21 0.00 0.00 0.00 175.76 175.57 1ywx s LYS 69 N 1.07 1.23 -0.00 0.00 2.36 -1.06 0.18 119.74 123.51 1ywx s LYS 69 Ca 0.05 -1.14 0.01 0.00 -2.55 0.00 0.00 55.97 52.34 1ywx s LYS 69 Cb -0.14 -1.49 -0.00 0.00 -1.05 0.00 0.00 37.83 35.15 1ywx s LYS 69 CO 0.04 0.36 -0.02 0.42 1.55 0.00 0.00 175.35 177.69 1ywx s ILE 70 N -1.07 0.13 -0.10 5.43 1.01 0.38 -3.07 121.20 123.91 1ywx s ILE 70 Ca 0.08 -0.07 -0.06 0.00 0.00 0.00 0.00 60.65 60.59 1ywx s ILE 70 Cb -0.10 -0.12 -0.04 0.00 0.01 0.00 0.00 42.46 42.21 1ywx s ILE 70 CO 0.04 0.04 0.15 -0.31 0.00 0.00 0.00 174.94 174.85 1ywx s TYR 71 N -0.04 3.59 0.24 3.97 2.02 -1.25 0.18 117.35 126.05 1ywx s TYR 71 Ca 0.01 0.50 -0.04 0.00 -0.37 0.00 0.00 57.07 57.17 1ywx s TYR 71 Cb -0.01 -1.92 0.26 0.00 -0.40 0.00 0.00 41.96 39.89 1ywx s TYR 71 CO -0.00 0.72 1.71 -0.91 -1.57 0.00 0.00 175.55 175.51 1ywx h ASN 72 N 4.79 0.83 -3.25 2.29 2.35 -1.77 -3.45 115.58 117.36 1ywx h ASN 72 Ca -0.54 -0.22 0.02 0.00 -0.55 0.00 0.00 56.30 55.01 1ywx h ASN 72 Cb 1.22 -0.22 -0.23 0.00 0.05 0.00 0.00 38.32 39.14 1ywx h ASN 72 CO 0.60 0.91 0.19 1.51 -1.65 0.00 0.00 177.43 178.98 1ywx s ASP 73 N -6.65 -0.73 0.62 5.81 1.47 -1.26 -5.01 116.67 110.93 1ywx s ASP 73 Ca -0.10 1.27 0.38 0.00 1.18 0.00 0.00 52.55 55.29 1ywx s ASP 73 Cb 0.14 1.30 2.09 0.00 -0.34 0.00 0.00 42.92 46.11 1ywx s ASP 73 CO 0.82 -0.21 2.17 -0.33 0.68 0.00 0.00 175.17 178.31 1ywx h GLU 74 N 5.77 0.00 -0.64 2.11 3.07 -1.96 -0.90 114.58 122.04 1ywx h GLU 74 Ca -0.29 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.62 1ywx h GLU 74 Cb 1.19 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 29.05 1ywx h GLU 74 CO 0.12 0.00 0.36 1.57 -1.40 0.00 0.00 179.01 179.66 1ywx h LYS 75 N 0.00 0.65 0.00 2.33 5.09 -1.98 1.28 116.57 123.95 1ywx h LYS 75 Ca 0.00 -0.04 -0.01 0.00 0.09 0.00 0.00 60.65 60.69 1ywx h LYS 75 Cb 0.16 -0.15 -0.00 0.00 0.10 0.00 0.00 32.23 32.34 1ywx h LYS 75 CO 0.00 0.43 -0.09 0.00 -2.09 0.00 0.00 179.45 177.70 1ywx h ALA 76 N 1.33 0.02 -0.77 0.07 0.00 -1.56 -3.31 119.26 115.03 1ywx h ALA 76 Ca 0.28 -0.36 0.15 0.00 0.00 0.00 0.00 54.91 54.98 1ywx h ALA 76 Cb 0.15 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 17.90 1ywx h ALA 76 CO -0.17 0.06 0.29 1.98 0.00 0.00 0.00 179.25 181.42 1ywx h MET 77 N -1.00 0.40 -0.85 0.00 1.85 -1.36 2.08 114.93 116.06 1ywx h MET 77 Ca -0.02 -0.02 0.23 0.00 -0.61 0.00 0.00 59.70 59.27 1ywx h MET 77 Cb 0.64 -0.09 -0.04 0.00 0.43 0.00 0.00 31.60 32.54 1ywx h MET 77 CO -0.01 0.27 0.59 0.00 -0.40 0.00 0.00 176.91 177.36 1ywx h ALA 78 N 1.58 2.60 0.00 0.39 0.00 0.15 -1.18 119.26 122.80 1ywx h ALA 78 Ca 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1ywx h ALA 78 Cb 0.69 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1ywx h ALA 78 CO -0.43 -0.86 -0.39 2.41 0.00 0.00 0.00 179.25 179.98 1ywx n THR 79 N -4.36 0.58 0.00 0.00 -1.04 0.19 -4.79 114.28 104.86 1ywx n THR 79 Ca 0.18 0.36 0.00 0.00 -2.04 0.00 0.00 64.05 62.55 1ywx n THR 79 Cb 0.83 -1.83 0.00 0.00 -1.82 0.00 0.00 70.33 67.52 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 -3.26 0.00 -1.22 12.58 5.41 0.65 -4.60 119.36 128.93 1ywx n ILE 80 Ca -0.05 1.07 -0.37 0.00 1.00 0.00 0.00 62.75 64.40 1ywx n ILE 80 Cb 0.20 -1.74 0.04 0.00 -0.71 0.00 0.00 39.64 37.43 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 -1.10 0.15 -3.76 0.38 4.71 -0.45 -4.99 120.64 115.58 1ywx n GLU 81 Ca 0.00 0.07 -0.22 0.00 -0.01 0.00 0.00 57.16 57.00 1ywx n GLU 81 Cb 0.00 -1.40 -0.05 0.00 -1.01 0.00 0.00 31.44 28.99 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 -1.95 2.62 0.61 2.62 -4.23 -1.26 -4.72 115.64 109.33 1ywx s THR 82 Ca 0.58 -1.46 0.28 0.00 -1.18 0.00 0.00 61.69 59.91 1ywx s THR 82 Cb -0.37 -3.01 0.35 0.00 1.34 0.00 0.00 72.50 70.81 1ywx s THR 82 CO 0.65 -0.02 1.89 0.07 -0.54 0.00 0.00 174.62 176.67 1ywx h LYS 83 N 1.18 0.00 -0.61 3.99 -0.00 -1.95 0.37 116.57 119.54 1ywx h LYS 83 Ca -0.42 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.22 1ywx h LYS 83 Cb 1.26 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 33.46 1ywx h LYS 83 CO 0.61 0.00 0.34 1.03 -0.00 0.00 0.00 179.45 181.43 1ywx h SER 84 N 0.00 0.75 0.05 7.07 0.87 -1.98 1.54 113.55 121.85 1ywx h SER 84 Ca 0.14 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1ywx h SER 84 Cb 1.03 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1ywx h SER 84 CO -0.00 0.62 -0.02 0.58 -0.53 0.00 0.00 176.83 177.47 1ywx h VAL 85 N 0.82 1.30 0.00 2.23 2.07 -0.68 -3.10 116.25 118.90 1ywx h VAL 85 Ca 0.21 -1.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.23 1ywx h VAL 85 Cb 0.03 2.24 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1ywx h VAL 85 CO -0.04 0.36 -0.03 -0.07 0.02 0.00 0.00 177.57 177.81 1ywx h LEU 86 N -0.77 0.00 -0.19 2.57 4.07 -1.27 -2.21 115.31 117.52 1ywx h LEU 86 Ca -0.01 0.00 0.03 0.00 0.08 0.00 0.00 57.88 57.99 1ywx h LEU 86 Cb 0.64 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.34 1ywx h LEU 86 CO 0.01 0.03 -0.02 -0.33 -1.08 0.00 0.00 178.44 177.05 1ywx h GLU 87 N 0.00 0.03 -0.03 1.13 4.39 0.23 -2.97 114.58 117.36 1ywx h GLU 87 Ca -0.00 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 1ywx h GLU 87 Cb 0.12 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 1ywx h GLU 87 CO 0.00 0.02 -0.27 0.87 -1.16 0.00 0.00 179.01 178.48 1ywx h LYS 88 N 0.03 -0.30 -3.80 2.33 6.56 -1.43 -2.64 116.57 117.31 1ywx h LYS 88 Ca 0.09 0.02 -0.69 0.00 -1.06 0.00 0.00 60.65 59.01 1ywx h LYS 88 Cb 0.13 0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 31.83 1ywx h LYS 88 CO -0.17 -0.20 3.25 0.27 -2.06 0.00 0.00 179.45 180.54 1ywx n ASN 89 N -3.96 4.87 -4.78 0.86 6.94 -1.12 -4.94 115.26 113.12 1ywx n ASN 89 Ca -0.03 -2.77 -0.34 0.00 -0.02 0.00 0.00 54.58 51.42 1ywx n ASN 89 Cb 0.19 -1.61 0.01 0.00 -2.36 0.00 0.00 39.78 36.02 1ywx n ASN 89 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1ywx s LYS 90 N 3.06 3.24 0.00 -3.83 2.20 -1.00 -4.92 119.74 118.50 1ywx s LYS 90 Ca 0.52 1.45 0.00 0.00 -0.36 0.00 0.00 55.97 57.58 1ywx s LYS 90 Cb 0.15 -2.00 0.00 0.00 -1.51 0.00 0.00 37.83 34.46 1ywx s LYS 90 CO -0.07 -0.91 0.53 -0.89 -0.36 0.00 0.00 175.35 173.65 1ywx n ILE 91 N -1.70 0.00 -2.17 5.43 5.41 -1.26 -4.67 119.36 120.40 1ywx n ILE 91 Ca 0.10 1.03 -0.14 0.00 1.00 0.00 0.00 62.75 64.75 1ywx n ILE 91 Cb 0.52 -1.54 0.08 0.00 -0.71 0.00 0.00 39.64 37.99 1ywx n ILE 91 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1ywx n GLU 92 N -1.10 -0.05 -4.49 0.38 4.07 -1.26 -5.12 120.64 113.06 1ywx n GLU 92 Ca 0.00 -1.38 -0.30 0.00 -0.06 0.00 0.00 57.16 55.42 1ywx n GLU 92 Cb 0.00 -0.48 -0.07 0.00 -0.06 0.00 0.00 31.44 30.84 1ywx n GLU 92 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 1ywx s GLU 93 N -4.08 2.18 0.00 5.31 -1.05 -1.26 -5.09 118.70 114.71 1ywx s GLU 93 Ca 0.38 -2.21 0.00 0.00 -0.15 0.00 0.00 54.97 52.98 1ywx s GLU 93 Cb -0.02 -1.72 0.00 0.00 -0.44 0.00 0.00 34.13 31.96 1ywx s GLU 93 CO 0.25 -0.34 0.00 -0.85 0.95 0.00 0.00 175.26 175.28 1ywx n GLU 94 N -1.32 1.69 0.00 -4.83 0.28 -1.26 -5.10 120.64 110.11 1ywx n GLU 94 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 1ywx n GLU 94 Cb 0.66 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.53 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 0.42 -1.84 0.00 -1.26 -5.07 120.51 109.76 1ywx n ALA 95 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 1ywx n ALA 95 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 -1.04 -3.87 0.00 5.08 -2.04 -3.49 114.58 109.22 1ywx h GLU 96 Ca 0.00 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1ywx h GLU 96 Cb 0.00 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1ywx h GLU 96 CO 0.00 -0.69 -0.86 0.00 -1.00 0.00 0.00 179.01 176.45 1ywx n ALA 97 N -2.65 -2.14 -0.19 3.43 0.00 -1.26 -5.06 120.51 112.65 1ywx n ALA 97 Ca -0.13 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.74 1ywx n ALA 97 Cb 0.42 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 1.09 0.00 -4.19 0.00 2.13 -1.26 -5.16 120.64 113.25 1ywx n GLU 98 Ca 0.00 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.71 1ywx n GLU 98 Cb 0.00 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.61 1ywx n GLU 98 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1ywx s VAL 99 N -0.81 0.19 -0.29 6.31 -7.23 -1.26 -5.09 120.40 112.22 1ywx s VAL 99 Ca 0.00 -1.95 -0.28 0.00 -1.81 0.00 0.00 61.98 57.93 1ywx s VAL 99 Cb 0.00 -2.24 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 1ywx s VAL 99 CO 0.00 -0.30 1.95 0.00 -0.31 0.00 0.00 175.10 176.44 1ywx s ALA 100 N -4.00 2.82 0.75 1.32 0.00 -1.26 -4.91 121.76 116.48 1ywx s ALA 100 Ca 0.29 0.45 -0.17 0.00 0.00 0.00 0.00 51.96 52.53 1ywx s ALA 100 Cb 0.07 -4.03 -0.14 0.00 0.00 0.00 0.00 23.12 19.01 1ywx s ALA 100 CO 0.06 -2.68 -0.42 -1.91 0.00 0.00 0.00 175.76 170.81 1ywx n GLU 101 N 8.54 0.01 0.00 0.00 2.13 -1.26 -5.09 120.64 124.97 1ywx n GLU 101 Ca 0.25 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.08 1ywx n GLU 101 Cb 0.46 -1.04 0.00 0.00 0.27 0.00 0.00 31.44 31.13 1ywx n GLU 101 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11