#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 4.21 0.01 6.12 -1.08 -1.13 -5.02 116.67 119.79 1ywx s ASP 2 Ca 0.00 -0.21 0.02 0.00 -0.52 0.00 0.00 52.55 51.84 1ywx s ASP 2 Cb 0.00 -1.31 -0.01 0.00 -1.46 0.00 0.00 42.92 40.14 1ywx s ASP 2 CO 0.00 0.26 -0.07 -0.63 0.52 0.00 0.00 175.17 175.24 1ywx s ILE 3 N -0.19 0.57 -0.08 4.11 1.01 -1.26 -0.16 121.20 125.20 1ywx s ILE 3 Ca 0.01 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.17 1ywx s ILE 3 Cb -0.13 -0.52 0.02 0.00 0.01 0.00 0.00 42.46 41.84 1ywx s ILE 3 CO 0.03 0.03 -0.09 -0.55 0.00 0.00 0.00 174.94 174.37 1ywx s SER 4 N -0.51 1.79 0.18 3.58 0.15 0.10 -4.96 113.70 114.04 1ywx s SER 4 Ca 0.00 -0.26 -0.30 0.00 0.70 0.00 0.00 55.95 56.09 1ywx s SER 4 Cb -0.04 -0.75 -0.08 0.00 -1.71 0.00 0.00 66.02 63.44 1ywx s SER 4 CO 0.00 -0.05 1.07 -0.63 1.20 0.00 0.00 173.24 174.83 1ywx s ILE 5 N 1.17 3.94 -0.21 6.45 -1.09 -1.26 0.37 121.20 130.56 1ywx s ILE 5 Ca -0.06 1.70 -0.16 0.00 -2.23 0.00 0.00 60.65 59.90 1ywx s ILE 5 Cb -0.14 -4.08 -0.08 0.00 -1.58 0.00 0.00 42.46 36.57 1ywx s ILE 5 CO -0.02 0.31 -0.34 -0.38 -1.23 0.00 0.00 174.94 173.27 1ywx n ILE 6 N 2.27 1.49 -3.85 2.92 2.08 -0.01 -4.91 119.36 119.35 1ywx n ILE 6 Ca 0.02 -0.05 -0.10 0.00 0.56 0.00 0.00 62.75 63.18 1ywx n ILE 6 Cb 0.46 -2.16 -0.08 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 -6.48 0.07 -0.39 4.38 0.01 -0.90 -4.99 113.70 105.39 1ywx s SER 7 Ca -0.32 -0.46 0.01 0.00 1.31 0.00 0.00 55.95 56.49 1ywx s SER 7 Cb 0.08 0.30 0.14 0.00 0.21 0.00 0.00 66.02 66.74 1ywx s SER 7 CO 0.44 -0.60 0.22 1.51 0.41 0.00 0.00 173.24 175.21 1ywx s ASP 8 N -2.32 3.38 0.33 2.44 -4.77 -1.26 -0.75 116.67 113.71 1ywx s ASP 8 Ca -0.02 -2.37 -0.01 0.00 -3.30 0.00 0.00 52.55 46.85 1ywx s ASP 8 Cb 0.01 -0.75 -0.04 0.00 -1.09 0.00 0.00 42.92 41.05 1ywx s ASP 8 CO -0.06 -0.29 0.54 -0.13 0.70 0.00 0.00 175.17 175.93 1ywx s ARG 9 N 0.74 3.51 -0.05 2.11 0.52 0.16 -4.98 118.95 120.97 1ywx s ARG 9 Ca 0.17 -0.27 0.02 0.00 -0.52 0.00 0.00 55.73 55.14 1ywx s ARG 9 Cb -0.23 -2.67 0.01 0.00 0.52 0.00 0.00 34.95 32.58 1ywx s ARG 9 CO -0.01 0.17 -0.10 1.21 0.02 0.00 0.00 175.30 176.59 1ywx s ASN 10 N -3.82 1.53 -0.47 0.23 2.47 -1.26 -2.55 114.94 111.07 1ywx s ASN 10 Ca 0.41 -0.25 0.03 0.00 0.42 0.00 0.00 52.86 53.47 1ywx s ASN 10 Cb -0.10 -0.67 0.13 0.00 -1.45 0.00 0.00 41.25 39.15 1ywx s ASN 10 CO 0.35 0.02 0.22 0.20 -3.72 0.00 0.00 177.10 174.17 1ywx s ASN 11 N 0.64 4.19 0.04 -4.21 0.01 -0.07 -4.93 114.94 110.59 1ywx s ASN 11 Ca -0.12 -2.77 -0.18 0.00 -0.71 0.00 0.00 52.86 49.08 1ywx s ASN 11 Cb -0.15 -1.46 -0.21 0.00 0.41 0.00 0.00 41.25 39.84 1ywx s ASN 11 CO 0.03 -0.26 1.17 1.55 -1.51 0.00 0.00 177.10 178.07 1ywx h PRO 12 N 6.74 0.53 0.00 -0.60 0.13 -1.93 1.37 132.00 138.24 1ywx h PRO 12 Ca -0.06 -0.52 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 1ywx h PRO 12 Cb 0.92 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1ywx h PRO 12 CO 0.61 1.15 0.00 1.28 -0.23 0.00 0.00 178.00 180.81 1ywx n LEU 13 N -4.12 0.00 0.17 1.56 4.32 -1.26 0.77 117.00 118.44 1ywx n LEU 13 Ca -0.10 0.74 0.13 0.00 -0.02 0.00 0.00 56.01 56.76 1ywx n LEU 13 Cb 0.70 -0.24 0.59 0.00 -1.62 0.00 0.00 43.42 42.86 1ywx n LEU 13 CO 0.49 -0.24 0.88 -0.07 -1.22 0.00 0.00 177.39 177.23 1ywx h LEU 14 N 0.00 0.00 -1.02 2.23 3.38 -2.01 -3.45 115.31 114.44 1ywx h LEU 14 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1ywx h LEU 14 Cb 0.00 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.80 1ywx h LEU 14 CO 0.00 0.00 -0.22 0.00 0.09 0.00 0.00 178.44 178.31 1ywx n GLN 15 N -2.38 -2.54 -4.46 1.13 6.02 0.23 -4.92 117.38 110.47 1ywx n GLN 15 Ca 0.00 0.27 -0.22 0.00 -0.01 0.00 0.00 57.00 57.04 1ywx n GLN 15 Cb 0.16 -3.59 -0.10 0.00 1.02 0.00 0.00 30.24 27.72 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 -5.35 1.68 -0.02 -1.09 0.52 0.46 -2.53 118.95 112.62 1ywx s ARG 16 Ca 0.18 -1.94 0.06 0.00 -0.52 0.00 0.00 55.73 53.51 1ywx s ARG 16 Cb -0.08 -0.84 -0.02 0.00 0.52 0.00 0.00 34.95 34.54 1ywx s ARG 16 CO 0.23 -0.22 -0.21 0.50 0.02 0.00 0.00 175.30 175.62 1ywx s ARG 17 N -3.88 1.81 -0.32 3.54 3.52 0.23 -0.90 118.95 122.96 1ywx s ARG 17 Ca 0.35 -0.77 0.01 0.00 -0.13 0.00 0.00 55.73 55.19 1ywx s ARG 17 Cb 0.08 -1.71 0.10 0.00 -1.56 0.00 0.00 34.95 31.86 1ywx s ARG 17 CO 0.15 0.44 0.08 -1.21 -0.81 0.00 0.00 175.30 173.95 1ywx s GLU 18 N -0.44 0.98 -0.10 5.12 2.02 -1.06 -2.42 118.70 122.81 1ywx s GLU 18 Ca 0.07 -1.32 0.02 0.00 0.02 0.00 0.00 54.97 53.76 1ywx s GLU 18 Cb -0.09 -2.39 0.01 0.00 0.10 0.00 0.00 34.13 31.76 1ywx s GLU 18 CO -0.00 -0.96 -0.16 0.42 0.02 0.00 0.00 175.26 174.58 1ywx s ILE 19 N 1.39 1.53 0.05 -1.63 1.01 -0.57 0.39 121.20 123.36 1ywx s ILE 19 Ca 0.10 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 60.07 1ywx s ILE 19 Cb -0.18 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 1ywx s ILE 19 CO -0.19 0.44 0.11 -0.75 0.00 0.00 0.00 174.94 174.55 1ywx s LYS 20 N 0.75 3.07 0.36 2.79 2.36 0.07 0.49 119.74 129.62 1ywx s LYS 20 Ca -0.12 -0.56 -0.16 0.00 -2.55 0.00 0.00 55.97 52.59 1ywx s LYS 20 Cb -0.16 -2.85 0.06 0.00 -1.05 0.00 0.00 37.83 33.84 1ywx s LYS 20 CO 0.02 0.60 0.82 1.97 1.55 0.00 0.00 175.35 180.32 1ywx n PHE 21 N 0.68 -2.22 -4.10 4.03 -1.74 -0.86 -0.83 117.46 112.42 1ywx n PHE 21 Ca -0.09 -1.76 -0.14 0.00 -0.56 0.00 0.00 57.45 54.90 1ywx n PHE 21 Cb 0.52 0.88 -0.12 0.00 1.52 0.00 0.00 39.48 42.28 1ywx n PHE 21 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1ywx s THR 22 N -2.10 0.57 -0.05 1.97 2.01 0.16 -1.88 115.64 116.31 1ywx s THR 22 Ca 0.17 -0.92 0.02 0.00 0.31 0.00 0.00 61.69 61.27 1ywx s THR 22 Cb -0.05 -0.60 0.01 0.00 0.01 0.00 0.00 72.50 71.88 1ywx s THR 22 CO 0.11 -0.26 -0.11 0.54 -0.69 0.00 0.00 174.62 174.21 1ywx s VAL 23 N -1.11 1.00 0.21 3.82 0.11 0.32 0.00 120.40 124.76 1ywx s VAL 23 Ca -0.07 -0.42 0.12 0.00 -2.93 0.00 0.00 61.98 58.68 1ywx s VAL 23 Cb -0.08 -0.92 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 1ywx s VAL 23 CO 0.00 0.32 -0.23 -0.55 -3.33 0.00 0.00 175.10 171.31 1ywx s SER 24 N 0.57 3.47 0.05 3.54 0.15 0.78 0.19 113.70 122.44 1ywx s SER 24 Ca -0.11 -0.90 -0.28 0.00 0.70 0.00 0.00 55.95 55.35 1ywx s SER 24 Cb -0.14 -0.27 0.09 0.00 -1.71 0.00 0.00 66.02 63.99 1ywx s SER 24 CO 0.03 0.10 1.03 0.72 1.20 0.00 0.00 173.24 176.32 1ywx s PHE 25 N -1.86 -0.16 -1.04 3.44 -0.12 -0.77 -2.82 117.98 114.64 1ywx s PHE 25 Ca 0.23 -0.04 -0.12 0.00 -0.05 0.00 0.00 56.93 56.95 1ywx s PHE 25 Cb -0.07 0.59 0.23 0.00 -0.63 0.00 0.00 43.02 43.14 1ywx s PHE 25 CO 0.11 -0.59 1.08 -0.51 -0.05 0.00 0.00 175.22 175.25 1ywx s ASP 26 N -2.77 7.08 0.00 1.98 1.01 -1.26 -4.63 116.67 118.08 1ywx s ASP 26 Ca 0.11 -3.13 0.00 0.00 0.71 0.00 0.00 52.55 50.23 1ywx s ASP 26 Cb 0.00 -2.26 0.00 0.00 1.01 0.00 0.00 42.92 41.67 1ywx s ASP 26 CO -0.02 -0.50 0.00 0.00 0.21 0.00 0.00 175.17 174.86 1ywx n ALA 27 N 3.83 0.00 -1.21 5.23 0.00 -1.26 -4.86 120.51 122.24 1ywx n ALA 27 Ca 0.23 0.00 -0.54 0.00 0.00 0.00 0.00 53.44 53.14 1ywx n ALA 27 Cb 0.43 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.76 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 0.22 -3.23 0.00 0.00 -1.26 -4.86 120.51 111.38 1ywx n ALA 28 Ca 0.00 0.11 -0.38 0.00 0.00 0.00 0.00 53.44 53.17 1ywx n ALA 28 Cb 0.00 -1.98 -0.12 0.00 0.00 0.00 0.00 19.45 17.35 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 6.06 3.81 0.00 0.00 2.01 -1.26 -4.78 115.64 121.47 1ywx s THR 29 Ca 1.15 -1.14 0.00 0.00 0.31 0.00 0.00 61.69 62.01 1ywx s THR 29 Cb -1.37 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 67.97 1ywx s THR 29 CO 0.60 -0.19 0.00 -0.81 -0.69 0.00 0.00 174.62 173.53 1ywx n PRO 30 N 4.82 0.68 -3.32 4.92 -0.04 -1.26 -5.11 135.00 135.69 1ywx n PRO 30 Ca -0.12 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.18 1ywx n PRO 30 Cb 0.45 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.87 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 -0.64 2.29 0.21 3.54 7.64 -1.26 -4.96 113.62 120.44 1ywx n SER 31 Ca 0.00 -2.12 -0.12 0.00 1.01 0.00 0.00 58.87 57.64 1ywx n SER 31 Cb 0.00 0.27 -0.07 0.00 -1.01 0.00 0.00 64.21 63.40 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 1.19 0.38 -0.55 0.44 2.04 -1.99 0.81 117.51 119.83 1ywx h ILE 32 Ca -0.20 -0.58 0.01 0.00 1.00 0.00 0.00 64.86 65.09 1ywx h ILE 32 Cb 0.64 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1ywx h ILE 32 CO 0.33 0.07 0.37 0.11 0.00 0.00 0.00 178.15 179.03 1ywx h LYS 33 N -0.99 0.71 0.00 2.37 6.56 -1.97 1.57 116.57 124.82 1ywx h LYS 33 Ca -0.06 -0.04 -0.12 0.00 -1.06 0.00 0.00 60.65 59.37 1ywx h LYS 33 Cb 0.55 -0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 32.04 1ywx h LYS 33 CO 0.10 0.47 -0.59 0.22 -2.06 0.00 0.00 179.45 177.59 1ywx h ASP 34 N 0.73 0.00 0.00 0.86 1.82 -1.94 -2.49 116.42 115.40 1ywx h ASP 34 Ca 0.21 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.83 1ywx h ASP 34 Cb -0.06 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 39.95 1ywx h ASP 34 CO -0.05 0.59 -0.11 0.58 -1.61 0.00 0.00 179.24 178.64 1ywx h VAL 35 N 0.00 0.81 -0.51 2.25 2.07 0.30 -3.28 116.25 117.88 1ywx h VAL 35 Ca -0.01 -1.64 0.15 0.00 0.82 0.00 0.00 66.70 66.03 1ywx h VAL 35 Cb 1.19 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.49 1ywx h VAL 35 CO 0.08 0.27 0.55 0.07 0.02 0.00 0.00 177.57 178.56 1ywx h LYS 36 N -1.00 0.00 -0.37 1.57 5.09 0.21 0.08 116.57 122.14 1ywx h LYS 36 Ca -0.02 0.00 0.08 0.00 0.09 0.00 0.00 60.65 60.80 1ywx h LYS 36 Cb 0.53 0.00 -0.08 0.00 0.10 0.00 0.00 32.23 32.78 1ywx h LYS 36 CO -0.01 0.00 -0.15 0.52 -2.09 0.00 0.00 179.45 177.72 1ywx h MET 37 N 0.00 -0.07 -0.01 0.07 2.86 -1.50 1.36 114.93 117.65 1ywx h MET 37 Ca 0.24 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.88 1ywx h MET 37 Cb 1.34 0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.02 1ywx h MET 37 CO -0.00 -0.05 -0.04 0.87 1.06 0.00 0.00 176.91 178.75 1ywx h LYS 38 N -0.07 0.04 -0.94 1.72 6.56 -1.15 -3.14 116.57 119.59 1ywx h LYS 38 Ca 0.18 -0.04 0.21 0.00 -1.06 0.00 0.00 60.65 59.95 1ywx h LYS 38 Cb 0.35 0.01 -0.07 0.00 -0.57 0.00 0.00 32.23 31.95 1ywx h LYS 38 CO -0.42 0.73 0.62 -0.07 -2.06 0.00 0.00 179.45 178.24 1ywx h LEU 39 N -0.63 0.45 -0.78 2.94 3.38 -1.08 0.48 115.31 120.07 1ywx h LEU 39 Ca -0.00 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.11 1ywx h LEU 39 Cb 0.74 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.39 1ywx h LEU 39 CO 0.01 0.16 0.43 0.58 0.09 0.00 0.00 178.44 179.71 1ywx h VAL 40 N 0.44 0.90 -0.07 1.22 2.07 0.19 1.51 116.25 122.50 1ywx h VAL 40 Ca 0.50 -0.25 -0.25 0.00 0.82 0.00 0.00 66.70 67.53 1ywx h VAL 40 Cb 1.21 0.11 0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1ywx h VAL 40 CO -0.21 0.13 -0.92 0.00 0.02 0.00 0.00 177.57 176.59 1ywx h ALA 41 N 1.44 0.21 0.26 1.67 0.00 -0.21 1.58 119.26 124.21 1ywx h ALA 41 Ca 0.37 -0.65 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1ywx h ALA 41 Cb 0.35 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1ywx h ALA 41 CO -0.25 0.68 -0.12 0.28 0.00 0.00 0.00 179.25 179.84 1ywx h VAL 42 N 0.46 0.77 -0.06 0.00 2.07 0.36 -3.09 116.25 116.76 1ywx h VAL 42 Ca -0.09 -0.12 -0.22 0.00 0.82 0.00 0.00 66.70 67.09 1ywx h VAL 42 Cb 1.56 0.84 0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1ywx h VAL 42 CO 0.18 0.03 -0.81 -0.07 0.02 0.00 0.00 177.57 176.92 1ywx h LEU 43 N -0.41 0.82 -2.66 2.57 3.38 0.20 -3.49 115.31 115.74 1ywx h LEU 43 Ca -0.04 -0.69 -0.15 0.00 0.09 0.00 0.00 57.88 57.09 1ywx h LEU 43 Cb 0.31 -0.25 0.12 0.00 0.09 0.00 0.00 40.66 40.93 1ywx h LEU 43 CO 0.06 1.40 -0.53 -3.20 0.09 0.00 0.00 178.44 176.26 1ywx n ASN 44 N -4.00 -4.91 -1.52 -0.43 5.15 0.54 -5.06 115.26 105.04 1ywx n ASN 44 Ca -0.09 -0.43 -0.00 0.00 -0.60 0.00 0.00 54.58 53.45 1ywx n ASN 44 Cb 0.77 -3.44 -0.00 0.00 -0.53 0.00 0.00 39.78 36.57 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 -2.56 0.01 -2.21 5.20 0.00 -1.17 -5.04 120.51 114.74 1ywx n ALA 45 Ca -0.04 -0.04 -0.32 0.00 0.00 0.00 0.00 53.44 53.03 1ywx n ALA 45 Cb 0.57 0.03 -0.04 0.00 0.00 0.00 0.00 19.45 20.01 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 -1.05 5.57 0.62 0.00 2.47 -1.26 -4.77 114.94 116.53 1ywx s ASN 46 Ca 0.00 -0.76 0.27 0.00 0.42 0.00 0.00 52.86 52.79 1ywx s ASN 46 Cb 0.00 -2.56 1.37 0.00 -1.45 0.00 0.00 41.25 38.61 1ywx s ASN 46 CO 0.00 -2.33 1.79 0.07 -3.72 0.00 0.00 177.10 172.91 1ywx h LYS 47 N 11.22 0.00 0.00 0.43 5.09 -1.93 -2.11 116.57 129.27 1ywx h LYS 47 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.81 1ywx h LYS 47 Cb 1.03 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.36 1ywx h LYS 47 CO 1.27 0.00 0.00 1.04 -2.09 0.00 0.00 179.45 179.67 1ywx n GLN 48 N -3.28 0.00 -1.65 0.07 6.02 -1.26 -3.10 117.38 114.18 1ywx n GLN 48 Ca 0.05 0.48 -0.33 0.00 -0.01 0.00 0.00 57.00 57.19 1ywx n GLN 48 Cb 0.66 -1.44 -0.04 0.00 1.02 0.00 0.00 30.24 30.44 1ywx n GLN 48 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1ywx n VAL 49 N -1.89 4.28 -4.10 5.09 0.24 -0.80 -4.85 118.33 116.30 1ywx n VAL 49 Ca 0.00 -3.41 -0.16 0.00 -2.04 0.00 0.00 64.34 58.73 1ywx n VAL 49 Cb 0.00 -1.96 -0.15 0.00 -1.47 0.00 0.00 33.84 30.26 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 -1.69 1.77 0.31 1.34 0.20 -1.16 -3.58 118.68 115.87 1ywx s LEU 50 Ca 0.59 -0.08 -0.11 0.00 0.69 0.00 0.00 54.13 55.22 1ywx s LEU 50 Cb 0.26 -0.26 0.01 0.00 -0.43 0.00 0.00 46.19 45.78 1ywx s LEU 50 CO -0.13 0.01 0.57 -0.69 -0.29 0.00 0.00 176.35 175.83 1ywx s VAL 51 N 0.22 0.00 0.17 1.68 1.01 -1.13 -4.97 120.40 117.39 1ywx s VAL 51 Ca -0.02 -1.33 0.07 0.00 0.00 0.00 0.00 61.98 60.70 1ywx s VAL 51 Cb -0.06 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 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 -3.34 3.69 -0.12 2.92 1.01 -1.26 -2.37 120.40 120.93 1ywx s VAL 52 Ca 0.22 -1.42 -0.09 0.00 0.00 0.00 0.00 61.98 60.68 1ywx s VAL 52 Cb -0.02 -2.85 -0.08 0.00 0.00 0.00 0.00 36.38 33.43 1ywx s VAL 52 CO 0.13 -0.10 0.16 0.44 0.00 0.00 0.00 175.10 175.73 1ywx h ASP 53 N 2.75 0.00 -5.38 3.32 3.32 -1.18 -3.44 116.42 115.82 1ywx h ASP 53 Ca -0.47 -0.26 0.25 0.00 0.02 0.00 0.00 57.03 56.57 1ywx h ASP 53 Cb 1.20 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.64 1ywx h ASP 53 CO 0.58 0.72 0.67 -0.89 -1.72 0.00 0.00 179.24 178.60 1ywx s THR 54 N -1.86 0.00 0.20 0.35 2.01 -1.21 -4.97 115.64 110.15 1ywx s THR 54 Ca -0.08 -0.35 -0.08 0.00 0.31 0.00 0.00 61.69 61.48 1ywx s THR 54 Cb 0.00 -1.83 -0.02 0.00 0.01 0.00 0.00 72.50 70.67 1ywx s THR 54 CO 0.23 0.00 0.30 -0.22 -0.69 0.00 0.00 174.62 174.24 1ywx s LEU 55 N -2.85 0.83 -0.29 4.42 2.96 -1.26 -1.82 118.68 120.66 1ywx s LEU 55 Ca 0.12 -1.01 -0.13 0.00 -0.22 0.00 0.00 54.13 52.90 1ywx s LEU 55 Cb 0.02 1.17 0.13 0.00 0.50 0.00 0.00 46.19 48.00 1ywx s LEU 55 CO -0.02 -0.95 0.74 -1.81 -1.32 0.00 0.00 176.35 172.98 1ywx s ASP 56 N -3.03 -0.97 -0.28 3.68 1.01 0.44 -4.94 116.67 112.58 1ywx s ASP 56 Ca 0.24 1.38 -0.28 0.00 0.71 0.00 0.00 52.55 54.60 1ywx s ASP 56 Cb 0.03 1.93 0.01 0.00 1.01 0.00 0.00 42.92 45.90 1ywx s ASP 56 CO 0.05 -0.20 1.03 -1.58 0.21 0.00 0.00 175.17 174.69 1ywx s GLN 57 N 2.45 4.13 0.51 8.23 0.74 -1.26 -0.57 119.66 133.88 1ywx s GLN 57 Ca -0.06 1.13 -0.22 0.00 0.05 0.00 0.00 55.36 56.25 1ywx s GLN 57 Cb -0.09 -3.70 -0.06 0.00 1.10 0.00 0.00 33.01 30.26 1ywx s GLN 57 CO -0.19 -0.77 1.29 0.42 -0.55 0.00 0.00 175.29 175.49 1ywx s ILE 58 N 3.41 2.45 -0.11 -2.34 1.01 0.50 -4.93 121.20 121.19 1ywx s ILE 58 Ca 0.43 0.34 0.06 0.00 0.00 0.00 0.00 60.65 61.48 1ywx s ILE 58 Cb -0.13 -3.17 -0.24 0.00 0.01 0.00 0.00 42.46 38.92 1ywx s ILE 58 CO 0.12 -0.00 0.41 0.33 0.00 0.00 0.00 174.94 175.79 1ywx n PHE 59 N -0.79 0.87 -0.33 3.97 -0.00 -1.26 -4.26 117.46 115.66 1ywx n PHE 59 Ca 0.09 0.25 -0.12 0.00 -0.00 0.00 0.00 57.45 57.67 1ywx n PHE 59 Cb 0.46 -1.14 -0.10 0.00 -0.00 0.00 0.00 39.48 38.70 1ywx n PHE 59 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1ywx h GLY 60 N 2.62 -0.91 0.00 7.13 0.00 -1.94 -3.43 103.07 106.55 1ywx h GLY 60 Ca -0.39 0.78 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1ywx h GLY 60 CO 0.06 -0.01 0.00 0.58 0.00 0.00 0.00 176.54 177.17 1ywx n LYS 61 N -5.28 0.00 -0.60 4.80 2.85 -1.26 -5.05 118.16 113.62 1ywx n LYS 61 Ca 0.00 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1ywx n LYS 61 Cb 0.29 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.66 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 0.00 -4.99 -5.58 4.77 -1.26 -4.98 117.00 104.97 1ywx n LEU 62 Ca 0.00 -1.13 -0.23 0.00 -0.03 0.00 0.00 56.01 54.62 1ywx n LEU 62 Cb 0.00 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.18 1ywx n LEU 62 CO 0.00 0.66 0.51 -1.83 -1.33 0.00 0.00 177.39 175.41 1ywx s GLU 63 N 0.00 1.85 -0.01 3.23 -1.05 -1.26 -1.85 118.70 119.60 1ywx s GLU 63 Ca 0.02 -1.07 -0.18 0.00 -0.15 0.00 0.00 54.97 53.59 1ywx s GLU 63 Cb 0.03 -2.37 0.03 0.00 -0.44 0.00 0.00 34.13 31.38 1ywx s GLU 63 CO -0.01 -1.30 0.39 0.00 0.95 0.00 0.00 175.26 175.28 1ywx s ALA 64 N -3.06 -0.99 0.01 -0.84 0.00 0.49 0.19 121.76 117.56 1ywx s ALA 64 Ca 0.65 0.50 0.07 0.00 0.00 0.00 0.00 51.96 53.18 1ywx s ALA 64 Cb -0.06 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.13 1ywx s ALA 64 CO 0.43 -0.30 -0.20 -2.00 0.00 0.00 0.00 175.76 173.69 1ywx s GLU 65 N -1.45 1.48 0.02 0.00 2.12 0.26 0.12 118.70 121.25 1ywx s GLU 65 Ca -0.12 -0.82 -0.27 0.00 0.36 0.00 0.00 54.97 54.12 1ywx s GLU 65 Cb -0.04 -1.50 0.09 0.00 0.26 0.00 0.00 34.13 32.94 1ywx s GLU 65 CO 0.05 0.40 0.79 0.20 -0.54 0.00 0.00 175.26 176.15 1ywx s GLY 66 N -0.82 -0.51 -0.02 -1.50 0.00 -0.79 -0.42 107.32 103.27 1ywx s GLY 66 Ca 0.07 0.99 0.01 0.00 0.00 0.00 0.00 44.72 45.80 1ywx s GLY 66 CO 0.01 0.43 -0.01 -0.47 0.00 0.00 0.00 173.10 173.05 1ywx s TYR 67 N -2.89 3.07 -0.06 1.90 6.14 -0.76 -2.03 117.35 122.73 1ywx s TYR 67 Ca 0.01 0.09 0.02 0.00 0.64 0.00 0.00 57.07 57.83 1ywx s TYR 67 Cb -0.01 -1.69 -0.03 0.00 0.42 0.00 0.00 41.96 40.66 1ywx s TYR 67 CO -0.07 0.45 -0.09 0.00 0.64 0.00 0.00 175.55 176.48 1ywx s ALA 68 N -1.03 2.90 0.02 3.97 0.00 0.18 -0.59 121.76 127.21 1ywx s ALA 68 Ca 0.18 -0.91 0.04 0.00 0.00 0.00 0.00 51.96 51.26 1ywx s ALA 68 Cb -0.11 -1.16 -0.02 0.00 0.00 0.00 0.00 23.12 21.83 1ywx s ALA 68 CO 0.08 0.57 -0.12 0.21 0.00 0.00 0.00 175.76 176.51 1ywx s LYS 69 N -0.79 0.82 -0.01 0.00 2.36 -1.00 -1.51 119.74 119.60 1ywx s LYS 69 Ca 0.12 -0.62 0.00 0.00 -2.55 0.00 0.00 55.97 52.93 1ywx s LYS 69 Cb -0.11 -0.78 0.01 0.00 -1.05 0.00 0.00 37.83 35.90 1ywx s LYS 69 CO 0.01 0.20 0.00 0.42 1.55 0.00 0.00 175.35 177.53 1ywx s ILE 70 N -0.71 0.09 0.13 5.43 1.01 -1.02 -2.82 121.20 123.30 1ywx s ILE 70 Ca 0.01 0.05 0.08 0.00 0.00 0.00 0.00 60.65 60.79 1ywx s ILE 70 Cb -0.07 -0.15 -0.04 0.00 0.01 0.00 0.00 42.46 42.22 1ywx s ILE 70 CO 0.01 0.08 -0.12 -0.72 0.00 0.00 0.00 174.94 174.18 1ywx s TYR 71 N 0.55 2.65 0.13 3.97 1.13 -1.23 0.77 117.35 125.31 1ywx s TYR 71 Ca -0.05 -0.20 -0.03 0.00 -1.41 0.00 0.00 57.07 55.37 1ywx s TYR 71 Cb -0.07 -1.37 -0.11 0.00 -1.10 0.00 0.00 41.96 39.31 1ywx s TYR 71 CO -0.01 0.44 1.29 -0.91 -2.51 0.00 0.00 175.55 173.84 1ywx h ASN 72 N 3.47 0.47 -4.05 -0.18 2.35 -1.81 -3.46 115.58 112.38 1ywx h ASN 72 Ca -0.49 -0.40 -0.12 0.00 -0.55 0.00 0.00 56.30 54.74 1ywx h ASN 72 Cb 1.18 -0.15 -0.23 0.00 0.05 0.00 0.00 38.32 39.17 1ywx h ASN 72 CO 0.51 1.21 -0.24 1.51 -1.65 0.00 0.00 177.43 178.77 1ywx s ASP 73 N -7.07 -0.40 0.24 5.81 -4.77 -1.26 -5.04 116.67 104.19 1ywx s ASP 73 Ca -0.05 0.72 0.07 0.00 -3.30 0.00 0.00 52.55 49.99 1ywx s ASP 73 Cb 0.09 0.75 0.25 0.00 -1.09 0.00 0.00 42.92 42.92 1ywx s ASP 73 CO 0.86 -0.19 1.55 -0.33 0.70 0.00 0.00 175.17 177.76 1ywx h GLU 74 N 5.24 0.10 -0.73 2.11 5.08 -1.98 -1.99 114.58 122.41 1ywx h GLU 74 Ca -0.27 -0.08 0.10 0.00 -1.00 0.00 0.00 59.36 58.11 1ywx h GLU 74 Cb 1.18 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.37 1ywx h GLU 74 CO 0.27 0.72 0.36 0.87 -1.00 0.00 0.00 179.01 180.24 1ywx h LYS 75 N 0.07 0.58 0.07 2.33 6.56 -1.98 1.95 116.57 126.15 1ywx h LYS 75 Ca -0.01 -0.04 -0.00 0.00 -1.06 0.00 0.00 60.65 59.54 1ywx h LYS 75 Cb 1.18 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.71 1ywx h LYS 75 CO 0.09 0.39 -0.03 0.00 -2.06 0.00 0.00 179.45 177.84 1ywx h ALA 76 N 1.45 -0.09 -0.29 3.86 0.00 -1.96 -3.22 119.26 119.01 1ywx h ALA 76 Ca 0.36 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1ywx h ALA 76 Cb 0.40 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1ywx h ALA 76 CO -0.28 -0.17 -0.10 1.98 0.00 0.00 0.00 179.25 180.68 1ywx h MET 77 N -0.86 -0.04 -1.20 0.00 1.85 -0.96 1.02 114.93 114.74 1ywx h MET 77 Ca -0.01 0.00 0.34 0.00 -0.61 0.00 0.00 59.70 59.43 1ywx h MET 77 Cb 0.62 0.01 -0.07 0.00 0.43 0.00 0.00 31.60 32.59 1ywx h MET 77 CO 0.02 -0.03 0.83 0.00 -0.40 0.00 0.00 176.91 177.33 1ywx h ALA 78 N 1.23 2.89 0.00 0.39 0.00 0.30 -0.12 119.26 123.94 1ywx h ALA 78 Ca 0.15 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.85 1ywx h ALA 78 Cb 0.26 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1ywx h ALA 78 CO -0.32 -1.29 -1.10 1.15 0.00 0.00 0.00 179.25 177.70 1ywx h THR 79 N 0.11 1.03 -0.26 0.00 2.02 -0.73 -3.40 112.91 111.68 1ywx h THR 79 Ca 0.61 -2.20 0.02 0.00 0.77 0.00 0.00 66.41 65.62 1ywx h THR 79 Cb 2.17 2.36 -0.03 0.00 -1.74 0.00 0.00 68.15 70.91 1ywx h THR 79 CO -0.12 0.35 -0.16 0.40 0.37 0.00 0.00 175.52 176.36 1ywx h ILE 80 N -1.00 0.00 -5.53 3.11 2.04 0.27 -3.42 117.51 112.98 1ywx h ILE 80 Ca -0.30 0.00 -0.31 0.00 1.00 0.00 0.00 64.86 65.25 1ywx h ILE 80 Cb 1.26 0.00 0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1ywx h ILE 80 CO -0.18 0.00 -0.03 -0.62 0.00 0.00 0.00 178.15 177.32 1ywx n GLU 81 N -3.59 0.66 -0.93 2.37 -0.58 -0.44 -5.07 120.64 113.06 1ywx n GLU 81 Ca 0.01 -1.97 0.00 0.00 -0.42 0.00 0.00 57.16 54.77 1ywx n GLU 81 Cb 0.07 -0.20 0.00 0.00 -0.57 0.00 0.00 31.44 30.74 1ywx n GLU 81 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1ywx n THR 82 N -1.89 0.00 0.38 2.62 -2.24 -1.26 -4.70 114.28 107.20 1ywx n THR 82 Ca 0.11 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.97 1ywx n THR 82 Cb 0.39 -0.80 0.37 0.00 -2.10 0.00 0.00 70.33 68.19 1ywx n THR 82 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1ywx n LYS 83 N -0.62 0.09 0.06 -0.78 -0.00 -1.26 -2.38 118.16 113.26 1ywx n LYS 83 Ca 0.00 0.37 -0.13 0.00 -0.00 0.00 0.00 58.31 58.56 1ywx n LYS 83 Cb 0.00 -1.68 -0.08 0.00 -0.00 0.00 0.00 35.03 33.27 1ywx n LYS 83 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1ywx h SER 84 N 0.00 -0.07 0.00 -5.58 0.02 -1.98 1.49 113.55 107.43 1ywx h SER 84 Ca 0.00 -0.12 -0.26 0.00 -0.84 0.00 0.00 61.79 60.57 1ywx h SER 84 Cb 0.25 0.02 0.02 0.00 0.14 0.00 0.00 62.40 62.83 1ywx h SER 84 CO 0.00 0.08 -1.01 0.58 -1.14 0.00 0.00 176.83 175.34 1ywx h VAL 85 N -0.22 1.29 0.00 2.27 2.07 -1.88 -3.04 116.25 116.74 1ywx h VAL 85 Ca -0.01 -2.24 -0.02 0.00 0.82 0.00 0.00 66.70 65.25 1ywx h VAL 85 Cb 0.19 2.41 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1ywx h VAL 85 CO 0.01 0.69 -0.11 -0.07 0.02 0.00 0.00 177.57 178.12 1ywx h LEU 86 N 0.35 0.00 -0.52 2.57 4.07 -1.41 -2.74 115.31 117.63 1ywx h LEU 86 Ca -0.13 0.00 0.05 0.00 0.08 0.00 0.00 57.88 57.88 1ywx h LEU 86 Cb 1.67 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 43.36 1ywx h LEU 86 CO 0.20 0.11 0.26 -0.33 -1.08 0.00 0.00 178.44 177.59 1ywx h GLU 87 N 0.00 0.49 0.01 1.13 4.39 0.22 -3.08 114.58 117.74 1ywx h GLU 87 Ca -0.00 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1ywx h GLU 87 Cb 0.46 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1ywx h GLU 87 CO 0.01 0.32 -0.01 0.87 -1.16 0.00 0.00 179.01 179.05 1ywx h LYS 88 N 0.50 -0.01 -6.06 2.33 6.56 -1.58 -3.39 116.57 114.92 1ywx h LYS 88 Ca 0.23 0.00 -0.69 0.00 -1.06 0.00 0.00 60.65 59.14 1ywx h LYS 88 Cb 0.15 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.80 1ywx h LYS 88 CO -0.17 -0.01 1.26 -1.71 -2.06 0.00 0.00 179.45 176.76 1ywx n ASN 89 N -2.40 2.28 -4.10 0.86 5.15 -1.16 -4.82 115.26 111.07 1ywx n ASN 89 Ca -0.00 0.64 -0.37 0.00 -0.60 0.00 0.00 54.58 54.25 1ywx n ASN 89 Cb 0.01 -1.23 0.03 0.00 -0.53 0.00 0.00 39.78 38.05 1ywx n ASN 89 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1ywx n LYS 90 N 7.35 0.00 0.00 1.20 5.02 -1.26 -4.86 118.16 125.61 1ywx n LYS 90 Ca 0.36 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 1ywx n LYS 90 Cb 0.20 -0.99 0.00 0.00 -0.02 0.00 0.00 35.03 34.22 1ywx n LYS 90 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1ywx n ILE 91 N -1.99 0.00 -1.01 -0.18 5.41 -1.26 -4.96 119.36 115.36 1ywx n ILE 91 Ca 0.03 0.60 0.00 0.00 1.00 0.00 0.00 62.75 64.38 1ywx n ILE 91 Cb 0.51 -1.16 0.00 0.00 -0.71 0.00 0.00 39.64 38.28 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 -0.18 -2.70 -3.40 0.38 2.13 -1.26 -5.03 120.64 110.57 1ywx n GLU 92 Ca 0.00 2.08 -0.22 0.00 0.66 0.00 0.00 57.16 59.67 1ywx n GLU 92 Cb 0.00 -2.54 0.02 0.00 0.27 0.00 0.00 31.44 29.19 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 -1.94 0.70 -0.13 5.31 0.28 -1.26 -5.15 120.64 118.45 1ywx n GLU 93 Ca 0.00 -3.11 0.00 0.00 -0.16 0.00 0.00 57.16 53.89 1ywx n GLU 93 Cb 0.24 0.16 0.00 0.00 1.43 0.00 0.00 31.44 33.27 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 -1.86 1.82 0.00 3.44 0.28 -1.26 -5.09 120.64 117.97 1ywx n GLU 94 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.04 1ywx n GLU 94 Cb 0.58 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.45 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 0.11 -1.84 0.00 -1.26 -5.07 120.51 109.45 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 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 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 -0.31 -2.09 0.00 5.08 -1.98 -3.48 114.58 111.80 1ywx h GLU 96 Ca 0.00 0.02 0.20 0.00 -1.00 0.00 0.00 59.36 58.59 1ywx h GLU 96 Cb 0.00 0.07 -0.11 0.00 0.50 0.00 0.00 28.75 29.21 1ywx h GLU 96 CO 0.00 -0.21 0.58 0.00 -1.00 0.00 0.00 179.01 178.38 1ywx s ALA 97 N -3.88 -1.83 0.26 3.43 0.00 -1.26 -5.03 121.76 113.45 1ywx s ALA 97 Ca -0.05 0.46 -0.10 0.00 0.00 0.00 0.00 51.96 52.27 1ywx s ALA 97 Cb 0.01 0.50 0.39 0.00 0.00 0.00 0.00 23.12 24.02 1ywx s ALA 97 CO 0.16 -0.97 1.57 1.49 0.00 0.00 0.00 175.76 178.02 1ywx h GLU 98 N 2.00 -0.01 -5.53 0.00 4.81 -2.05 -3.36 114.58 110.44 1ywx h GLU 98 Ca -0.24 0.00 -0.65 0.00 -0.13 0.00 0.00 59.36 58.34 1ywx h GLU 98 Cb 1.22 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.42 1ywx h GLU 98 CO 0.27 -0.00 -0.64 0.14 -0.73 0.00 0.00 179.01 178.04 1ywx s VAL 99 N -6.22 4.12 -0.29 0.32 -7.23 -1.26 -5.08 120.40 104.76 1ywx s VAL 99 Ca -0.15 -0.29 -0.23 0.00 -1.81 0.00 0.00 61.98 59.50 1ywx s VAL 99 Cb 0.25 -2.79 0.18 0.00 0.56 0.00 0.00 36.38 34.58 1ywx s VAL 99 CO 0.76 0.52 1.32 0.00 -0.31 0.00 0.00 175.10 177.40 1ywx s ALA 100 N -0.04 -2.25 0.09 1.32 0.00 -1.26 -5.03 121.76 114.59 1ywx s ALA 100 Ca 0.02 1.78 -0.26 0.00 0.00 0.00 0.00 51.96 53.51 1ywx s ALA 100 Cb -0.13 -1.75 0.08 0.00 0.00 0.00 0.00 23.12 21.32 1ywx s ALA 100 CO 0.02 -0.17 0.84 -2.00 0.00 0.00 0.00 175.76 174.46 1ywx s GLU 101 N 0.28 1.08 0.00 0.00 2.12 -1.26 -5.07 118.70 115.84 1ywx s GLU 101 Ca 0.04 -0.48 0.00 0.00 0.36 0.00 0.00 54.97 54.88 1ywx s GLU 101 Cb -0.05 0.44 0.00 0.00 0.26 0.00 0.00 34.13 34.79 1ywx s GLU 101 CO -0.13 -0.48 0.36 0.39 -0.54 0.00 0.00 175.26 174.85