#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aw0 s THR 2 N 0.00 -0.08 0.17 1.96 -4.23 -1.26 -4.33 115.64 107.86 1aw0 s THR 2 Ca 0.00 0.29 -0.03 0.00 -1.18 0.00 0.00 61.69 60.77 1aw0 s THR 2 Cb 0.00 -0.11 -0.03 0.00 1.34 0.00 0.00 72.50 73.70 1aw0 s THR 2 CO 0.00 0.12 0.15 -1.10 -0.54 0.00 0.00 174.62 173.25 1aw0 s GLN 3 N 1.47 1.10 0.10 3.99 -1.52 -0.27 -4.96 119.66 119.56 1aw0 s GLN 3 Ca -0.04 -1.44 0.06 0.00 -1.95 0.00 0.00 55.36 52.00 1aw0 s GLN 3 Cb -0.13 0.29 -0.03 0.00 -0.22 0.00 0.00 33.01 32.92 1aw0 s GLN 3 CO -0.03 -0.36 -0.16 -1.21 -0.25 0.00 0.00 175.29 173.28 1aw0 s GLU 4 N -4.07 0.99 -0.13 2.91 2.02 -1.26 -1.06 118.70 118.11 1aw0 s GLU 4 Ca 0.27 -1.12 -0.13 0.00 0.02 0.00 0.00 54.97 54.02 1aw0 s GLU 4 Cb 0.06 -1.05 0.03 0.00 0.10 0.00 0.00 34.13 33.27 1aw0 s GLU 4 CO 0.05 0.23 0.36 -0.08 0.02 0.00 0.00 175.26 175.84 1aw0 s THR 5 N -1.50 0.01 -0.20 3.63 -1.32 -0.40 -5.01 115.64 110.85 1aw0 s THR 5 Ca 0.04 -0.04 -0.10 0.00 -1.21 0.00 0.00 61.69 60.38 1aw0 s THR 5 Cb -0.08 -0.52 -0.05 0.00 -1.51 0.00 0.00 72.50 70.33 1aw0 s THR 5 CO 0.03 -0.02 0.14 -0.69 -2.21 0.00 0.00 174.62 171.87 1aw0 s VAL 6 N 0.05 5.40 -0.14 5.08 1.01 -1.26 -1.09 120.40 129.44 1aw0 s VAL 6 Ca -0.01 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.20 1aw0 s VAL 6 Cb -0.03 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.88 1aw0 s VAL 6 CO 0.01 0.43 -0.20 -0.63 0.00 0.00 0.00 175.10 174.71 1aw0 s ILE 7 N 0.44 1.90 -0.20 2.22 1.01 -0.52 -0.75 121.20 125.31 1aw0 s ILE 7 Ca 0.09 -0.87 -0.29 0.00 0.00 0.00 0.00 60.65 59.57 1aw0 s ILE 7 Cb -0.11 -1.71 0.00 0.00 0.01 0.00 0.00 42.46 40.65 1aw0 s ILE 7 CO -0.01 0.52 1.10 0.20 0.00 0.00 0.00 174.94 176.75 1aw0 s ASN 8 N 1.00 7.07 -0.32 3.58 0.01 0.48 -0.61 114.94 126.15 1aw0 s ASN 8 Ca -0.04 1.48 0.03 0.00 -0.71 0.00 0.00 52.86 53.63 1aw0 s ASN 8 Cb -0.15 -2.54 0.09 0.00 0.41 0.00 0.00 41.25 39.06 1aw0 s ASN 8 CO -0.05 -0.68 0.00 -0.63 -1.51 0.00 0.00 177.10 174.24 1aw0 s ILE 9 N 3.18 2.28 -0.03 0.60 1.01 -0.20 -1.13 121.20 126.92 1aw0 s ILE 9 Ca 0.47 -2.10 -0.04 0.00 0.00 0.00 0.00 60.65 58.98 1aw0 s ILE 9 Cb -0.17 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 1aw0 s ILE 9 CO 0.09 -0.41 0.18 -1.81 0.00 0.00 0.00 174.94 172.98 1aw0 s ASP 10 N 0.99 6.38 0.00 3.58 1.01 -0.58 -3.99 116.67 124.06 1aw0 s ASP 10 Ca 0.04 0.38 0.00 0.00 0.71 0.00 0.00 52.55 53.68 1aw0 s ASP 10 Cb -0.19 -2.02 0.00 0.00 1.01 0.00 0.00 42.92 41.72 1aw0 s ASP 10 CO -0.07 0.29 0.00 0.61 0.21 0.00 0.00 175.17 176.21 1aw0 n GLY 11 N 1.16 1.11 3.41 0.21 0.00 -1.26 -2.37 105.19 107.45 1aw0 n GLY 11 Ca -0.13 -0.38 -0.44 0.00 0.00 0.00 0.00 46.02 45.08 1aw0 n GLY 11 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1aw0 s MET 12 N -2.41 3.09 0.57 1.61 -1.94 -1.26 -4.96 119.30 114.00 1aw0 s MET 12 Ca 0.00 -1.07 -0.21 0.00 -1.71 0.00 0.00 55.69 52.70 1aw0 s MET 12 Cb 0.00 -4.19 -0.04 0.00 2.01 0.00 0.00 34.83 32.61 1aw0 s MET 12 CO 0.00 -1.46 1.36 0.99 -0.01 0.00 0.00 175.02 175.90 1aw0 s THR 13 N 2.88 2.01 -0.11 2.05 2.01 -1.26 -4.86 115.64 118.36 1aw0 s THR 13 Ca 0.15 0.01 -0.38 0.00 0.31 0.00 0.00 61.69 61.77 1aw0 s THR 13 Cb -0.21 -3.00 -0.16 0.00 0.01 0.00 0.00 72.50 69.14 1aw0 s THR 13 CO 0.09 -0.00 1.58 0.00 -0.69 0.00 0.00 174.62 175.60 1aw0 n ASN 15 N 4.20 0.00 0.24 0.00 0.23 -1.26 -4.50 115.26 114.17 1aw0 n ASN 15 Ca 0.23 0.00 -0.16 0.00 -0.53 0.00 0.00 54.58 54.11 1aw0 n ASN 15 Cb 0.17 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 37.78 1aw0 n ASN 15 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1aw0 h SER 16 N 0.00 -1.11 -0.19 0.53 4.64 -1.98 -0.78 113.55 114.66 1aw0 h SER 16 Ca 0.00 0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.40 1aw0 h SER 16 Cb 0.00 0.37 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1aw0 h SER 16 CO 0.00 -0.56 0.05 0.00 -0.87 0.00 0.00 176.83 175.45 1aw0 h VAL 18 N 0.12 0.19 -0.08 0.00 2.07 -1.67 -0.64 116.25 116.25 1aw0 h VAL 18 Ca 0.06 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 1aw0 h VAL 18 Cb 0.27 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1aw0 h VAL 18 CO 0.00 0.00 0.04 1.56 0.02 0.00 0.00 177.57 179.19 1aw0 h GLN 19 N -0.50 0.12 0.01 1.57 4.20 -1.13 -1.95 115.11 117.42 1aw0 h GLN 19 Ca 0.07 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 1aw0 h GLN 19 Cb 0.61 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1aw0 h GLN 19 CO -0.34 0.20 -0.01 0.66 -0.67 0.00 0.00 178.83 178.67 1aw0 h SER 20 N 0.01 -0.01 0.15 1.46 4.64 -1.10 -0.15 113.55 118.54 1aw0 h SER 20 Ca 0.03 -0.07 0.02 0.00 -0.47 0.00 0.00 61.79 61.29 1aw0 h SER 20 Cb 0.12 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.18 1aw0 h SER 20 CO -0.00 0.07 -0.29 0.40 -0.87 0.00 0.00 176.83 176.13 1aw0 h ILE 21 N -0.09 0.37 -0.26 0.95 2.04 -1.14 -0.99 117.51 118.38 1aw0 h ILE 21 Ca -0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 1aw0 h ILE 21 Cb 0.09 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 36.49 1aw0 h ILE 21 CO 0.00 0.00 -0.03 -0.08 0.00 0.00 0.00 178.15 178.04 1aw0 h GLU 22 N -0.53 0.04 0.10 2.37 4.81 -1.21 -0.75 114.58 119.41 1aw0 h GLU 22 Ca 0.02 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1aw0 h GLU 22 Cb 0.54 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 1aw0 h GLU 22 CO -0.15 0.03 -0.07 0.78 -0.73 0.00 0.00 179.01 178.86 1aw0 h GLY 23 N 0.04 -0.17 0.87 1.92 0.00 -0.86 -0.88 103.07 103.99 1aw0 h GLY 23 Ca 0.13 0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.52 1aw0 h GLY 23 CO -0.24 -0.08 -0.18 -2.08 0.00 0.00 0.00 176.54 173.96 1aw0 h VAL 24 N -0.18 0.63 -0.61 4.60 2.07 -0.99 -3.24 116.25 118.53 1aw0 h VAL 24 Ca -0.00 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.21 1aw0 h VAL 24 Cb 0.16 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1aw0 h VAL 24 CO -0.00 0.05 0.13 0.40 0.02 0.00 0.00 177.57 178.17 1aw0 h ILE 25 N -0.64 1.25 -0.69 4.57 1.08 -1.14 -2.51 117.51 119.42 1aw0 h ILE 25 Ca -0.05 -0.91 0.17 0.00 -0.39 0.00 0.00 64.86 63.68 1aw0 h ILE 25 Cb 0.47 0.63 -0.04 0.00 -3.07 0.00 0.00 36.82 34.81 1aw0 h ILE 25 CO 0.09 0.34 0.48 0.77 -0.69 0.00 0.00 178.15 179.14 1aw0 h SER 26 N 0.92 0.15 0.18 1.72 4.64 -1.18 -1.69 113.55 118.29 1aw0 h SER 26 Ca 0.19 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1aw0 h SER 26 Cb 0.35 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1aw0 h SER 26 CO 0.00 0.08 -0.18 0.29 -0.87 0.00 0.00 176.83 176.15 1aw0 n LYS 27 N -4.40 1.04 -2.37 4.77 5.02 -0.95 -4.67 118.16 116.60 1aw0 n LYS 27 Ca 0.13 -0.59 -0.39 0.00 -2.02 0.00 0.00 58.31 55.45 1aw0 n LYS 27 Cb 0.65 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.14 1aw0 n LYS 27 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1aw0 s LYS 28 N -2.37 4.23 0.01 1.97 -0.14 -0.64 -4.94 119.74 117.86 1aw0 s LYS 28 Ca 0.28 1.79 -0.38 0.00 -1.36 0.00 0.00 55.97 56.31 1aw0 s LYS 28 Cb 0.20 -2.79 -0.17 0.00 -1.68 0.00 0.00 37.83 33.39 1aw0 s LYS 28 CO 0.47 -0.16 1.36 -2.30 -0.76 0.00 0.00 175.35 173.96 1aw0 n PRO 29 N 0.34 0.96 0.00 -1.68 -0.02 -1.26 -1.87 135.00 131.47 1aw0 n PRO 29 Ca 0.03 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1aw0 n PRO 29 Cb 0.46 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1aw0 n PRO 29 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aw0 n GLY 30 N 2.63 2.82 3.69 -1.23 0.00 -1.26 -4.23 105.19 107.61 1aw0 n GLY 30 Ca 0.20 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1aw0 n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aw0 s VAL 31 N -1.98 3.58 0.00 1.61 1.01 -0.78 -1.42 120.40 122.42 1aw0 s VAL 31 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 61.98 62.97 1aw0 s VAL 31 Cb 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1aw0 s VAL 31 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 175.10 175.39 1aw0 n LYS 32 N 5.32 0.00 -2.83 2.72 5.02 -0.23 -4.81 118.16 123.34 1aw0 n LYS 32 Ca 0.13 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.13 1aw0 n LYS 32 Cb 0.43 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.41 1aw0 n LYS 32 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1aw0 s SER 33 N -1.00 6.47 -0.15 4.39 1.04 -1.25 -4.91 113.70 118.29 1aw0 s SER 33 Ca 0.00 1.08 -0.13 0.00 0.48 0.00 0.00 55.95 57.38 1aw0 s SER 33 Cb 0.00 -2.30 0.04 0.00 0.10 0.00 0.00 66.02 63.85 1aw0 s SER 33 CO 0.00 -0.42 0.38 -0.51 0.98 0.00 0.00 173.24 173.67 1aw0 s ILE 34 N -2.42 -0.00 -0.28 -1.02 2.07 -1.26 -1.06 121.20 117.22 1aw0 s ILE 34 Ca 0.50 0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.75 1aw0 s ILE 34 Cb -0.10 -0.54 0.08 0.00 0.13 0.00 0.00 42.46 42.03 1aw0 s ILE 34 CO 0.34 0.00 0.05 -0.13 -1.91 0.00 0.00 174.94 173.28 1aw0 s ARG 35 N 0.31 1.04 -0.24 3.50 0.52 -0.67 -5.00 118.95 118.42 1aw0 s ARG 35 Ca -0.01 -1.09 -0.17 0.00 -0.52 0.00 0.00 55.73 53.94 1aw0 s ARG 35 Cb -0.03 -2.34 -0.03 0.00 0.52 0.00 0.00 34.95 33.06 1aw0 s ARG 35 CO -0.01 -0.84 0.47 0.08 0.02 0.00 0.00 175.30 175.02 1aw0 s VAL 36 N 1.48 5.12 -0.15 3.52 1.01 -1.26 -1.42 120.40 128.70 1aw0 s VAL 36 Ca 0.05 0.80 0.01 0.00 0.00 0.00 0.00 61.98 62.84 1aw0 s VAL 36 Cb -0.18 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.42 1aw0 s VAL 36 CO -0.16 0.15 -0.18 -0.55 0.00 0.00 0.00 175.10 174.36 1aw0 s SER 37 N 1.38 3.40 0.01 3.32 0.15 -0.22 -5.01 113.70 116.74 1aw0 s SER 37 Ca 0.20 -0.54 -0.22 0.00 0.70 0.00 0.00 55.95 56.09 1aw0 s SER 37 Cb -0.15 -1.51 -0.17 0.00 -1.71 0.00 0.00 66.02 62.47 1aw0 s SER 37 CO 0.09 0.07 1.27 0.25 1.20 0.00 0.00 173.24 176.12 1aw0 h LEU 38 N 7.41 0.30 -0.62 3.45 6.46 -1.93 -0.44 115.31 129.94 1aw0 h LEU 38 Ca -0.34 -0.55 0.12 0.00 -0.12 0.00 0.00 57.88 57.00 1aw0 h LEU 38 Cb 1.18 -0.09 -0.10 0.00 -0.73 0.00 0.00 40.66 40.93 1aw0 h LEU 38 CO 0.57 0.79 0.06 0.00 -0.62 0.00 0.00 178.44 179.25 1aw0 h ALA 39 N 0.52 0.67 -0.00 1.25 0.00 -1.96 0.20 119.26 119.94 1aw0 h ALA 39 Ca 0.01 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1aw0 h ALA 39 Cb 0.73 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1aw0 h ALA 39 CO 0.04 -0.36 -0.42 0.09 0.00 0.00 0.00 179.25 178.60 1aw0 n ASN 40 N -5.21 0.60 -3.68 0.00 3.02 -1.25 -4.98 115.26 103.76 1aw0 n ASN 40 Ca 0.09 -0.38 -0.26 0.00 -0.03 0.00 0.00 54.58 54.00 1aw0 n ASN 40 Cb 0.35 0.19 0.03 0.00 -0.61 0.00 0.00 39.78 39.74 1aw0 n ASN 40 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1aw0 n SER 41 N -1.29 -3.52 -3.89 6.41 7.64 0.06 -4.91 113.62 114.11 1aw0 n SER 41 Ca 0.07 -0.93 -0.08 0.00 1.01 0.00 0.00 58.87 58.94 1aw0 n SER 41 Cb 0.34 -3.72 -0.04 0.00 -1.01 0.00 0.00 64.21 59.78 1aw0 n SER 41 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1aw0 s ASN 42 N -3.85 -0.15 -0.13 6.43 2.20 -0.48 -1.03 114.94 117.93 1aw0 s ASN 42 Ca 0.27 -0.80 -0.01 0.00 -0.94 0.00 0.00 52.86 51.39 1aw0 s ASN 42 Cb -0.08 0.66 0.03 0.00 -2.00 0.00 0.00 41.25 39.86 1aw0 s ASN 42 CO 0.84 -1.26 -0.06 -0.83 -2.94 0.00 0.00 177.10 172.85 1aw0 s GLY 43 N -2.98 0.85 -0.54 0.45 0.00 0.22 -1.05 107.32 104.27 1aw0 s GLY 43 Ca 0.17 -0.62 -0.17 0.00 0.00 0.00 0.00 44.72 44.10 1aw0 s GLY 43 CO 0.08 0.87 0.53 -1.59 0.00 0.00 0.00 173.10 173.00 1aw0 s THR 44 N 1.70 5.14 -0.18 0.90 2.01 -0.51 -1.43 115.64 123.26 1aw0 s THR 44 Ca 0.04 -1.36 -0.06 0.00 0.31 0.00 0.00 61.69 60.62 1aw0 s THR 44 Cb -0.13 -4.35 -0.03 0.00 0.01 0.00 0.00 72.50 67.99 1aw0 s THR 44 CO -0.08 -0.89 0.01 -0.69 -0.69 0.00 0.00 174.62 172.28 1aw0 s VAL 45 N 1.81 4.27 -0.16 3.82 1.01 -0.25 -1.68 120.40 129.22 1aw0 s VAL 45 Ca 0.05 -0.21 -0.13 0.00 0.00 0.00 0.00 61.98 61.68 1aw0 s VAL 45 Cb -0.28 -2.91 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 1aw0 s VAL 45 CO 0.04 0.46 0.28 -0.70 0.00 0.00 0.00 175.10 175.18 1aw0 s GLU 46 N 0.56 4.22 0.15 2.72 2.12 -0.23 -1.28 118.70 126.98 1aw0 s GLU 46 Ca 0.00 0.07 -0.12 0.00 0.36 0.00 0.00 54.97 55.28 1aw0 s GLU 46 Cb -0.14 -3.42 0.01 0.00 0.26 0.00 0.00 34.13 30.85 1aw0 s GLU 46 CO 0.02 0.27 0.34 1.52 -0.54 0.00 0.00 175.26 176.86 1aw0 s TYR 47 N 0.39 0.14 -0.36 5.30 1.13 -0.22 -1.07 117.35 122.66 1aw0 s TYR 47 Ca 0.16 -0.51 -0.16 0.00 -1.41 0.00 0.00 57.07 55.15 1aw0 s TYR 47 Cb -0.13 0.09 -0.00 0.00 -1.10 0.00 0.00 41.96 40.82 1aw0 s TYR 47 CO 0.04 -0.73 0.38 0.34 -2.51 0.00 0.00 175.55 173.06 1aw0 s ASP 48 N -2.90 6.18 0.39 -0.18 2.15 -0.51 -1.12 116.67 120.69 1aw0 s ASP 48 Ca 0.11 -0.34 0.21 0.00 0.43 0.00 0.00 52.55 52.95 1aw0 s ASP 48 Cb 0.02 -2.20 1.19 0.00 -0.30 0.00 0.00 42.92 41.63 1aw0 s ASP 48 CO -0.04 -0.40 1.69 -0.65 -0.17 0.00 0.00 175.17 175.60 1aw0 h PRO 49 N 8.53 0.28 -0.31 4.34 0.11 -1.76 -0.82 132.00 142.36 1aw0 h PRO 49 Ca -0.29 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.75 1aw0 h PRO 49 Cb 1.14 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1aw0 h PRO 49 CO 0.72 0.19 -0.06 -0.07 -0.21 0.00 0.00 178.00 178.57 1aw0 h LEU 50 N 0.29 0.48 0.00 2.35 3.38 -1.94 -3.31 115.31 116.56 1aw0 h LEU 50 Ca 0.70 -0.10 -0.30 0.00 0.09 0.00 0.00 57.88 58.28 1aw0 h LEU 50 Cb 1.87 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 42.44 1aw0 h LEU 50 CO -0.43 0.58 -2.11 0.18 0.09 0.00 0.00 178.44 176.76 1aw0 n LEU 51 N -4.25 0.14 -4.00 1.67 4.77 -0.72 -5.06 117.00 109.55 1aw0 n LEU 51 Ca 0.01 -0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 55.86 1aw0 n LEU 51 Cb 0.28 0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 41.69 1aw0 n LEU 51 CO 0.39 0.42 0.26 0.28 -1.33 0.00 0.00 177.39 177.41 1aw0 s THR 52 N -2.39 0.00 0.13 -5.08 -1.32 -0.39 -4.79 115.64 101.79 1aw0 s THR 52 Ca -0.09 -1.41 -0.11 0.00 -1.21 0.00 0.00 61.69 58.87 1aw0 s THR 52 Cb 0.05 -2.67 0.01 0.00 -1.51 0.00 0.00 72.50 68.37 1aw0 s THR 52 CO 0.65 0.00 0.29 -0.94 -2.21 0.00 0.00 174.62 172.41 1aw0 s SER 53 N -3.17 -0.01 0.33 8.08 1.04 -1.26 -3.70 113.70 115.01 1aw0 s SER 53 Ca 0.25 -0.64 0.07 0.00 0.48 0.00 0.00 55.95 56.12 1aw0 s SER 53 Cb -0.02 0.42 0.76 0.00 0.10 0.00 0.00 66.02 67.28 1aw0 s SER 53 CO 0.17 -0.83 1.83 -0.65 0.98 0.00 0.00 173.24 174.74 1aw0 h PRO 54 N 2.56 0.74 -0.07 4.02 0.11 -1.98 -1.74 132.00 135.63 1aw0 h PRO 54 Ca -0.33 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 1aw0 h PRO 54 Cb 1.22 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1aw0 h PRO 54 CO 0.50 0.49 0.01 0.93 -0.21 0.00 0.00 178.00 179.72 1aw0 h GLU 55 N 0.76 0.12 -0.64 1.05 5.08 -1.98 -0.28 114.58 118.69 1aw0 h GLU 55 Ca 0.50 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.80 1aw0 h GLU 55 Cb 0.77 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.97 1aw0 h GLU 55 CO -0.27 0.35 0.30 1.79 -1.00 0.00 0.00 179.01 180.18 1aw0 h THR 56 N -0.12 1.22 -0.15 1.13 1.35 -1.89 -0.43 112.91 114.01 1aw0 h THR 56 Ca 0.02 -0.64 -0.02 0.00 -0.55 0.00 0.00 66.41 65.22 1aw0 h THR 56 Cb 0.29 0.47 -0.01 0.00 -1.73 0.00 0.00 68.15 67.17 1aw0 h THR 56 CO 0.00 0.26 0.03 -0.07 -0.25 0.00 0.00 175.52 175.50 1aw0 h LEU 57 N 0.88 0.24 -0.52 3.87 3.38 -1.26 -0.13 115.31 121.77 1aw0 h LEU 57 Ca 0.22 -0.24 0.10 0.00 0.09 0.00 0.00 57.88 58.04 1aw0 h LEU 57 Cb 0.14 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.74 1aw0 h LEU 57 CO -0.03 0.42 0.04 -0.09 0.09 0.00 0.00 178.44 178.88 1aw0 h ARG 58 N 0.05 0.16 -0.48 1.13 2.43 -0.98 -1.39 114.38 115.29 1aw0 h ARG 58 Ca 0.05 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.27 1aw0 h ARG 58 Cb 0.28 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.74 1aw0 h ARG 58 CO 0.00 0.10 0.18 0.78 -1.51 0.00 0.00 179.97 179.52 1aw0 h GLY 59 N 0.16 0.64 0.90 2.80 0.00 -0.61 0.07 103.07 107.02 1aw0 h GLY 59 Ca 0.26 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 1aw0 h GLY 59 CO -0.40 0.02 0.06 0.00 0.00 0.00 0.00 176.54 176.21 1aw0 h ALA 60 N 1.31 0.15 -0.76 3.60 0.00 -0.47 0.53 119.26 123.62 1aw0 h ALA 60 Ca 0.23 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1aw0 h ALA 60 Cb 0.23 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1aw0 h ALA 60 CO -0.23 -0.29 0.49 0.82 0.00 0.00 0.00 179.25 180.05 1aw0 h ILE 61 N 0.06 1.20 -0.78 0.00 2.04 -1.08 -0.88 117.51 118.07 1aw0 h ILE 61 Ca 0.04 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.47 1aw0 h ILE 61 Cb 0.12 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.26 1aw0 h ILE 61 CO -0.00 0.19 0.28 -0.08 0.00 0.00 0.00 178.15 178.54 1aw0 h GLU 62 N 1.03 1.18 -0.65 2.37 4.57 -0.76 -1.72 114.58 120.60 1aw0 h GLU 62 Ca 0.28 -0.23 -0.05 0.00 -1.18 0.00 0.00 59.36 58.18 1aw0 h GLU 62 Cb -0.10 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 28.28 1aw0 h GLU 62 CO -0.06 0.98 0.23 0.22 -1.18 0.00 0.00 179.01 179.20 1aw0 h ASP 63 N 1.14 0.92 -0.69 1.04 3.58 -0.37 -2.39 116.42 119.65 1aw0 h ASP 63 Ca 0.25 -0.19 0.04 0.00 0.42 0.00 0.00 57.03 57.55 1aw0 h ASP 63 Cb 0.26 -0.24 -0.05 0.00 1.72 0.00 0.00 39.33 41.03 1aw0 h ASP 63 CO -0.01 0.87 0.43 0.24 -2.88 0.00 0.00 179.24 177.88 1aw0 h MET 64 N 0.92 0.80 0.00 0.28 2.86 -0.91 -3.47 114.93 115.42 1aw0 h MET 64 Ca 0.21 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1aw0 h MET 64 Cb 0.26 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1aw0 h MET 64 CO -0.01 0.53 0.00 0.41 1.06 0.00 0.00 176.91 178.90 1aw0 n GLY 65 N -1.29 0.31 2.91 8.32 0.00 -0.67 -5.11 105.19 109.66 1aw0 n GLY 65 Ca 0.08 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 1aw0 n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aw0 s PHE 66 N 0.00 0.05 -0.83 1.61 0.08 -1.10 -5.02 117.98 112.78 1aw0 s PHE 66 Ca 0.00 -0.10 -0.25 0.00 0.12 0.00 0.00 56.93 56.70 1aw0 s PHE 66 Cb 0.00 -0.04 -0.04 0.00 -0.57 0.00 0.00 43.02 42.37 1aw0 s PHE 66 CO 0.00 -0.05 1.93 0.34 -0.10 0.00 0.00 175.22 177.33 1aw0 s ASP 67 N -0.36 5.17 -0.25 1.36 2.15 -1.00 -3.88 116.67 119.87 1aw0 s ASP 67 Ca -0.04 -0.44 -0.11 0.00 0.43 0.00 0.00 52.55 52.40 1aw0 s ASP 67 Cb -0.02 -2.55 -0.05 0.00 -0.30 0.00 0.00 42.92 39.99 1aw0 s ASP 67 CO -0.00 -2.66 0.18 0.00 -0.17 0.00 0.00 175.17 172.52 1aw0 s ALA 68 N 9.85 3.59 -0.01 3.66 0.00 -1.26 -1.53 121.76 136.06 1aw0 s ALA 68 Ca 0.69 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.75 1aw0 s ALA 68 Cb -0.08 -2.38 0.01 0.00 0.00 0.00 0.00 23.12 20.67 1aw0 s ALA 68 CO 0.04 -0.28 -0.01 0.95 0.00 0.00 0.00 175.76 176.47 1aw0 s THR 69 N 1.23 0.12 0.06 0.00 -4.23 -0.28 -4.95 115.64 107.58 1aw0 s THR 69 Ca 0.08 -0.01 -0.31 0.00 -1.18 0.00 0.00 61.69 60.28 1aw0 s THR 69 Cb -0.14 -0.15 -0.07 0.00 1.34 0.00 0.00 72.50 73.48 1aw0 s THR 69 CO 0.06 0.07 1.45 -0.76 -0.54 0.00 0.00 174.62 174.90 1aw0 s LEU 70 N 0.31 4.35 -0.18 4.79 1.43 -1.26 -0.39 118.68 127.73 1aw0 s LEU 70 Ca -0.03 2.28 0.08 0.00 -1.03 0.00 0.00 54.13 55.43 1aw0 s LEU 70 Cb -0.05 -3.57 -0.16 0.00 0.03 0.00 0.00 46.19 42.44 1aw0 s LEU 70 CO -0.01 -0.74 -0.06 -0.24 0.23 0.00 0.00 176.35 175.54 1aw0 n SER 71 N 4.90 1.75 0.00 2.29 2.88 -0.47 -4.83 113.62 120.14 1aw0 n SER 71 Ca 0.13 -0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1aw0 n SER 71 Cb 0.42 0.30 0.00 0.00 -0.75 0.00 0.00 64.21 64.18 1aw0 n SER 71 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14