#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 4.36 0.09 1.96 -4.23 -1.26 -4.22 115.64 112.33 1aw0 s THR 2 Ca 0.00 -0.17 0.01 0.00 -1.18 0.00 0.00 61.69 60.36 1aw0 s THR 2 Cb 0.00 -3.00 -0.04 0.00 1.34 0.00 0.00 72.50 70.80 1aw0 s THR 2 CO 0.00 0.39 -0.06 -1.10 -0.54 0.00 0.00 174.62 173.31 1aw0 s GLN 3 N 1.14 0.77 0.01 3.99 -1.52 -0.84 -5.03 119.66 118.19 1aw0 s GLN 3 Ca 0.04 -1.27 -0.00 0.00 -1.95 0.00 0.00 55.36 52.18 1aw0 s GLN 3 Cb -0.14 -0.15 -0.01 0.00 -0.22 0.00 0.00 33.01 32.49 1aw0 s GLN 3 CO 0.03 -0.03 -0.01 -2.00 -0.25 0.00 0.00 175.29 173.03 1aw0 s GLU 4 N -3.65 0.23 0.03 2.91 2.12 -1.26 -0.95 118.70 118.13 1aw0 s GLU 4 Ca 0.09 -0.42 -0.03 0.00 0.36 0.00 0.00 54.97 54.97 1aw0 s GLU 4 Cb 0.04 0.08 -0.02 0.00 0.26 0.00 0.00 34.13 34.50 1aw0 s GLU 4 CO -0.05 -0.04 0.05 -0.08 -0.54 0.00 0.00 175.26 174.60 1aw0 s THR 5 N -1.03 0.13 -0.24 -1.70 -1.32 -0.50 -5.01 115.64 105.97 1aw0 s THR 5 Ca -0.11 -1.06 -0.02 0.00 -1.21 0.00 0.00 61.69 59.29 1aw0 s THR 5 Cb -0.07 -0.69 0.02 0.00 -1.51 0.00 0.00 72.50 70.25 1aw0 s THR 5 CO -0.01 -0.58 -0.07 -0.69 -2.21 0.00 0.00 174.62 171.06 1aw0 s VAL 6 N -2.20 2.85 -0.21 5.08 1.01 -1.26 -1.23 120.40 124.44 1aw0 s VAL 6 Ca -0.09 -0.99 -0.07 0.00 0.00 0.00 0.00 61.98 60.84 1aw0 s VAL 6 Cb -0.04 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 1aw0 s VAL 6 CO -0.03 0.23 0.04 -0.63 0.00 0.00 0.00 175.10 174.72 1aw0 s ILE 7 N 1.33 4.35 -0.26 2.22 1.01 -0.38 -1.26 121.20 128.21 1aw0 s ILE 7 Ca 0.01 -0.17 -0.29 0.00 0.00 0.00 0.00 60.65 60.19 1aw0 s ILE 7 Cb -0.16 -2.99 0.01 0.00 0.01 0.00 0.00 42.46 39.33 1aw0 s ILE 7 CO -0.05 0.41 1.05 0.20 0.00 0.00 0.00 174.94 176.54 1aw0 s ASN 8 N 0.99 7.03 -0.36 3.58 0.01 0.32 -0.75 114.94 125.77 1aw0 s ASN 8 Ca 0.03 1.25 -0.00 0.00 -0.71 0.00 0.00 52.86 53.43 1aw0 s ASN 8 Cb -0.14 -2.54 0.09 0.00 0.41 0.00 0.00 41.25 39.07 1aw0 s ASN 8 CO 0.03 -0.74 0.10 -0.63 -1.51 0.00 0.00 177.10 174.34 1aw0 s ILE 9 N 3.36 2.84 -0.06 0.60 1.01 -0.53 -1.81 121.20 126.61 1aw0 s ILE 9 Ca 0.44 -2.00 -0.06 0.00 0.00 0.00 0.00 60.65 59.04 1aw0 s ILE 9 Cb -0.14 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 1aw0 s ILE 9 CO 0.09 -0.51 0.18 -1.81 0.00 0.00 0.00 174.94 172.89 1aw0 s ASP 10 N 1.38 6.41 0.00 3.58 1.01 -0.56 -4.18 116.67 124.31 1aw0 s ASP 10 Ca 0.05 0.45 0.00 0.00 0.71 0.00 0.00 52.55 53.76 1aw0 s ASP 10 Cb -0.21 -2.05 0.00 0.00 1.01 0.00 0.00 42.92 41.67 1aw0 s ASP 10 CO -0.05 0.34 0.00 0.61 0.21 0.00 0.00 175.17 176.28 1aw0 n GLY 11 N 1.52 0.88 2.71 0.21 0.00 -1.26 -1.65 105.19 107.59 1aw0 n GLY 11 Ca -0.16 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1aw0 n GLY 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1aw0 n MET 12 N -2.19 2.87 -1.94 1.61 2.81 -1.26 -4.93 117.12 114.09 1aw0 n MET 12 Ca 0.00 -2.53 -0.40 0.00 -1.81 0.00 0.00 57.70 52.96 1aw0 n MET 12 Cb 0.00 -3.23 -0.03 0.00 -0.71 0.00 0.00 33.22 29.25 1aw0 n MET 12 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1aw0 s THR 13 N 3.18 3.34 0.00 2.03 2.01 -1.26 -4.62 115.64 120.32 1aw0 s THR 13 Ca 0.49 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.77 1aw0 s THR 13 Cb 0.14 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.99 1aw0 s THR 13 CO -0.08 -0.56 0.00 0.00 -0.69 0.00 0.00 174.62 173.29 1aw0 h ASN 15 N 0.00 0.00 -0.75 0.00 -1.07 -2.01 -1.47 115.58 110.28 1aw0 h ASN 15 Ca 0.00 0.00 0.15 0.00 0.07 0.00 0.00 56.30 56.52 1aw0 h ASN 15 Cb 0.00 0.00 -0.10 0.00 -2.07 0.00 0.00 38.32 36.15 1aw0 h ASN 15 CO 0.00 0.00 0.27 0.28 0.07 0.00 0.00 177.43 178.05 1aw0 h SER 16 N 0.00 0.20 0.08 6.14 0.02 -1.94 -0.28 113.55 117.78 1aw0 h SER 16 Ca 0.19 0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1aw0 h SER 16 Cb 1.24 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.90 1aw0 h SER 16 CO -0.00 0.06 -0.04 0.00 -1.14 0.00 0.00 176.83 175.71 1aw0 h VAL 18 N -0.23 0.67 -0.51 0.00 2.07 -1.52 -1.12 116.25 115.61 1aw0 h VAL 18 Ca -0.01 -0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.54 1aw0 h VAL 18 Cb 0.20 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 1aw0 h VAL 18 CO 0.02 0.00 0.28 1.56 0.02 0.00 0.00 177.57 179.45 1aw0 h GLN 19 N 0.01 0.53 0.37 1.57 4.20 -0.99 0.11 115.11 120.90 1aw0 h GLN 19 Ca 0.16 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 1aw0 h GLN 19 Cb 0.25 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1aw0 h GLN 19 CO -0.34 0.35 -0.19 0.77 -0.67 0.00 0.00 178.83 178.75 1aw0 h SER 20 N 0.54 -0.46 0.01 1.46 0.02 -0.78 -1.19 113.55 113.15 1aw0 h SER 20 Ca 0.22 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.20 1aw0 h SER 20 Cb 0.10 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 1aw0 h SER 20 CO -0.13 -0.32 -0.09 0.40 -1.14 0.00 0.00 176.83 175.55 1aw0 h ILE 21 N -0.51 0.77 -0.08 3.27 2.04 -1.07 -1.55 117.51 120.38 1aw0 h ILE 21 Ca -0.05 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1aw0 h ILE 21 Cb 0.40 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 1aw0 h ILE 21 CO 0.07 0.00 -0.48 -0.08 0.00 0.00 0.00 178.15 177.66 1aw0 h GLU 22 N -0.16 -0.55 0.36 2.37 4.57 -0.92 -1.13 114.58 119.11 1aw0 h GLU 22 Ca 0.03 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 1aw0 h GLU 22 Cb 0.20 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 1aw0 h GLU 22 CO -0.09 -0.37 -0.27 0.78 -1.18 0.00 0.00 179.01 177.89 1aw0 h GLY 23 N -0.57 -0.66 0.83 1.92 0.00 -1.06 -1.46 103.07 102.07 1aw0 h GLY 23 Ca 0.05 0.30 -0.01 0.00 0.00 0.00 0.00 47.33 47.66 1aw0 h GLY 23 CO -0.39 -0.25 -0.27 -2.08 0.00 0.00 0.00 176.54 173.54 1aw0 h VAL 24 N -0.62 0.43 -0.23 4.60 2.07 -1.20 -3.11 116.25 118.19 1aw0 h VAL 24 Ca -0.03 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.38 1aw0 h VAL 24 Cb 0.53 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1aw0 h VAL 24 CO 0.00 0.00 -0.31 0.40 0.02 0.00 0.00 177.57 177.68 1aw0 h ILE 25 N -0.66 1.28 -0.39 4.57 2.04 -1.22 -2.17 117.51 120.96 1aw0 h ILE 25 Ca -0.04 -1.38 0.11 0.00 1.00 0.00 0.00 64.86 64.55 1aw0 h ILE 25 Cb 0.56 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 1aw0 h ILE 25 CO 0.02 0.43 0.35 -1.28 0.00 0.00 0.00 178.15 177.68 1aw0 h SER 26 N 0.41 0.00 0.43 1.72 0.87 -1.20 -1.26 113.55 114.52 1aw0 h SER 26 Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1aw0 h SER 26 Cb 0.75 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 1aw0 h SER 26 CO 0.06 0.00 -0.40 0.29 -0.53 0.00 0.00 176.83 176.25 1aw0 n LYS 27 N -4.00 0.28 -2.41 2.24 5.02 -0.82 -4.85 118.16 113.62 1aw0 n LYS 27 Ca 0.07 -0.16 -0.39 0.00 -2.02 0.00 0.00 58.31 55.80 1aw0 n LYS 27 Cb 0.53 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 34.01 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 -2.83 4.44 0.18 1.97 -0.14 -0.48 -4.96 119.74 117.92 1aw0 s LYS 28 Ca 0.16 1.82 -0.31 0.00 -1.36 0.00 0.00 55.97 56.27 1aw0 s LYS 28 Cb 0.18 -3.00 -0.10 0.00 -1.68 0.00 0.00 37.83 33.24 1aw0 s LYS 28 CO 0.63 0.02 1.53 -1.25 -0.76 0.00 0.00 175.35 175.52 1aw0 s PRO 29 N -1.78 4.23 0.00 -1.68 0.04 -1.26 -2.44 135.00 132.11 1aw0 s PRO 29 Ca 0.49 2.32 0.00 0.00 0.04 0.00 0.00 61.00 63.85 1aw0 s PRO 29 Cb -0.31 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1aw0 s PRO 29 CO 0.40 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 177.30 1aw0 n GLY 30 N 3.40 2.70 3.67 0.56 0.00 -1.26 -4.18 105.19 110.08 1aw0 n GLY 30 Ca 0.12 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.78 3.50 0.00 1.61 1.01 -1.02 -1.31 120.40 122.42 1aw0 s VAL 31 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1aw0 s VAL 31 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1aw0 s VAL 31 CO 0.00 -0.05 0.00 0.29 0.00 0.00 0.00 175.10 175.34 1aw0 n LYS 32 N 6.63 0.00 -3.24 2.72 5.02 -0.07 -4.90 118.16 124.32 1aw0 n LYS 32 Ca 0.16 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 56.08 1aw0 n LYS 32 Cb 0.42 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.37 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 7.05 -0.03 4.39 1.04 -1.25 -4.96 113.70 118.95 1aw0 s SER 33 Ca 0.00 1.28 -0.02 0.00 0.48 0.00 0.00 55.95 57.69 1aw0 s SER 33 Cb 0.00 -2.37 0.01 0.00 0.10 0.00 0.00 66.02 63.76 1aw0 s SER 33 CO 0.00 0.21 0.07 -0.51 0.98 0.00 0.00 173.24 173.98 1aw0 s ILE 34 N -1.23 -0.01 -0.16 -1.02 2.07 -1.26 -0.93 121.20 118.67 1aw0 s ILE 34 Ca 0.33 0.03 -0.05 0.00 -1.41 0.00 0.00 60.65 59.56 1aw0 s ILE 34 Cb -0.19 -0.10 0.06 0.00 0.13 0.00 0.00 42.46 42.36 1aw0 s ILE 34 CO 0.20 0.01 0.09 0.00 -1.91 0.00 0.00 174.94 173.33 1aw0 s ARG 35 N 0.22 0.05 -0.25 3.50 3.03 -0.52 -5.03 118.95 119.94 1aw0 s ARG 35 Ca -0.02 -0.03 -0.08 0.00 2.03 0.00 0.00 55.73 57.63 1aw0 s ARG 35 Cb -0.02 -1.68 -0.03 0.00 -1.03 0.00 0.00 34.95 32.18 1aw0 s ARG 35 CO -0.01 -0.63 0.10 0.08 -1.13 0.00 0.00 175.30 173.71 1aw0 s VAL 36 N 2.14 4.59 -0.19 4.99 1.01 -1.26 -1.33 120.40 130.35 1aw0 s VAL 36 Ca 0.02 -0.08 -0.08 0.00 0.00 0.00 0.00 61.98 61.84 1aw0 s VAL 36 Cb -0.16 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 1aw0 s VAL 36 CO -0.08 0.33 0.08 -0.55 0.00 0.00 0.00 175.10 174.87 1aw0 s SER 37 N 1.53 5.71 0.01 3.32 0.15 -0.23 -4.97 113.70 119.22 1aw0 s SER 37 Ca 0.06 0.09 -0.25 0.00 0.70 0.00 0.00 55.95 56.54 1aw0 s SER 37 Cb -0.15 -1.99 -0.16 0.00 -1.71 0.00 0.00 66.02 62.01 1aw0 s SER 37 CO 0.05 0.16 1.18 0.25 1.20 0.00 0.00 173.24 176.07 1aw0 h LEU 38 N 6.83 -0.52 -0.50 3.45 7.12 -1.96 -1.86 115.31 127.87 1aw0 h LEU 38 Ca -0.38 -0.09 0.10 0.00 0.13 0.00 0.00 57.88 57.64 1aw0 h LEU 38 Cb 1.17 0.14 -0.08 0.00 -0.53 0.00 0.00 40.66 41.35 1aw0 h LEU 38 CO 0.70 -0.16 -0.01 0.00 -0.13 0.00 0.00 178.44 178.84 1aw0 h ALA 39 N -0.62 0.46 -0.01 1.25 0.00 -1.97 -0.92 119.26 117.46 1aw0 h ALA 39 Ca -0.06 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1aw0 h ALA 39 Cb 0.58 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1aw0 h ALA 39 CO 0.10 -0.39 -0.23 0.09 0.00 0.00 0.00 179.25 178.82 1aw0 n ASN 40 N -5.25 0.92 -3.73 0.00 3.02 -1.26 -4.97 115.26 104.00 1aw0 n ASN 40 Ca 0.05 -0.82 -0.26 0.00 -0.03 0.00 0.00 54.58 53.52 1aw0 n ASN 40 Cb 0.27 0.10 0.03 0.00 -0.61 0.00 0.00 39.78 39.57 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 -0.71 -2.96 -3.53 6.41 7.64 -0.35 -4.92 113.62 115.20 1aw0 n SER 41 Ca 0.12 -0.94 -0.11 0.00 1.01 0.00 0.00 58.87 58.95 1aw0 n SER 41 Cb 0.34 -3.61 -0.03 0.00 -1.01 0.00 0.00 64.21 59.89 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 -3.95 -0.40 -0.26 6.43 2.20 -0.99 -1.45 114.94 116.53 1aw0 s ASN 42 Ca 0.22 -0.17 -0.02 0.00 -0.94 0.00 0.00 52.86 51.96 1aw0 s ASN 42 Cb -0.07 0.54 0.03 0.00 -2.00 0.00 0.00 41.25 39.74 1aw0 s ASN 42 CO 0.85 -0.91 -0.05 -0.83 -2.94 0.00 0.00 177.10 173.21 1aw0 s GLY 43 N -2.78 1.65 -0.42 0.45 0.00 0.07 -1.06 107.32 105.23 1aw0 s GLY 43 Ca 0.02 -1.52 -0.16 0.00 0.00 0.00 0.00 44.72 43.07 1aw0 s GLY 43 CO -0.12 0.55 0.35 -1.59 0.00 0.00 0.00 173.10 172.29 1aw0 s THR 44 N 1.31 5.20 -0.16 0.90 2.01 -0.44 -1.24 115.64 123.22 1aw0 s THR 44 Ca -0.01 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.40 1aw0 s THR 44 Cb -0.17 -3.98 0.01 0.00 0.01 0.00 0.00 72.50 68.37 1aw0 s THR 44 CO -0.04 -0.37 -0.18 -0.69 -0.69 0.00 0.00 174.62 172.65 1aw0 s VAL 45 N 1.82 2.30 -0.14 3.82 1.01 -0.37 -1.44 120.40 127.41 1aw0 s VAL 45 Ca 0.07 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 1aw0 s VAL 45 Cb -0.19 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 1aw0 s VAL 45 CO 0.11 0.53 0.27 -0.70 0.00 0.00 0.00 175.10 175.31 1aw0 s GLU 46 N 1.02 4.12 0.24 2.72 2.12 -0.10 -1.41 118.70 127.40 1aw0 s GLU 46 Ca -0.02 0.07 -0.11 0.00 0.36 0.00 0.00 54.97 55.27 1aw0 s GLU 46 Cb -0.15 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 30.86 1aw0 s GLU 46 CO -0.05 0.36 0.43 1.52 -0.54 0.00 0.00 175.26 176.98 1aw0 s TYR 47 N 0.12 0.46 -0.35 5.30 1.13 -0.12 -0.89 117.35 122.99 1aw0 s TYR 47 Ca 0.16 -0.80 -0.12 0.00 -1.41 0.00 0.00 57.07 54.90 1aw0 s TYR 47 Cb -0.13 0.10 0.00 0.00 -1.10 0.00 0.00 41.96 40.83 1aw0 s TYR 47 CO 0.04 -0.95 0.22 0.34 -2.51 0.00 0.00 175.55 172.69 1aw0 s ASP 48 N -3.03 5.84 0.32 -0.18 2.15 -0.42 -1.99 116.67 119.36 1aw0 s ASP 48 Ca 0.24 -0.66 0.10 0.00 0.43 0.00 0.00 52.55 52.67 1aw0 s ASP 48 Cb 0.00 -2.08 0.96 0.00 -0.30 0.00 0.00 42.92 41.50 1aw0 s ASP 48 CO 0.09 -0.29 1.67 -0.65 -0.17 0.00 0.00 175.17 175.82 1aw0 h PRO 49 N 8.46 0.33 0.00 4.34 0.11 -1.74 -0.92 132.00 142.58 1aw0 h PRO 49 Ca -0.30 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.72 1aw0 h PRO 49 Cb 1.14 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1aw0 h PRO 49 CO 0.65 0.22 -0.37 -0.07 -0.21 0.00 0.00 178.00 178.22 1aw0 h LEU 50 N 0.34 0.00 0.00 2.35 3.38 -1.95 -3.29 115.31 116.15 1aw0 h LEU 50 Ca 0.67 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 58.26 1aw0 h LEU 50 Cb 1.45 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.13 1aw0 h LEU 50 CO -0.59 0.37 -2.42 0.18 0.09 0.00 0.00 178.44 176.06 1aw0 n LEU 51 N -3.95 1.59 -4.00 1.67 4.77 -0.69 -5.04 117.00 111.35 1aw0 n LEU 51 Ca -0.02 -0.07 -0.10 0.00 -0.03 0.00 0.00 56.01 55.80 1aw0 n LEU 51 Cb 0.42 -0.26 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 1aw0 n LEU 51 CO 0.38 0.73 0.20 0.28 -1.33 0.00 0.00 177.39 177.65 1aw0 s THR 52 N -2.51 0.00 0.16 -5.08 -1.32 -0.44 -4.79 115.64 101.67 1aw0 s THR 52 Ca -0.23 -1.40 -0.10 0.00 -1.21 0.00 0.00 61.69 58.76 1aw0 s THR 52 Cb 0.08 -2.28 -0.00 0.00 -1.51 0.00 0.00 72.50 68.79 1aw0 s THR 52 CO 0.71 0.00 0.29 -0.94 -2.21 0.00 0.00 174.62 172.47 1aw0 s SER 53 N -3.04 0.02 0.32 8.08 1.04 -1.26 -3.55 113.70 115.30 1aw0 s SER 53 Ca 0.23 -0.82 0.06 0.00 0.48 0.00 0.00 55.95 55.90 1aw0 s SER 53 Cb -0.01 0.44 0.72 0.00 0.10 0.00 0.00 66.02 67.27 1aw0 s SER 53 CO 0.10 -0.89 1.83 -0.65 0.98 0.00 0.00 173.24 174.61 1aw0 h PRO 54 N 2.53 0.78 0.24 4.02 0.11 -1.99 -1.57 132.00 136.13 1aw0 h PRO 54 Ca -0.32 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 1aw0 h PRO 54 Cb 1.23 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1aw0 h PRO 54 CO 0.48 0.52 -0.12 0.93 -0.21 0.00 0.00 178.00 179.60 1aw0 h GLU 55 N 0.80 -0.32 -0.71 1.05 4.39 -1.99 -0.31 114.58 117.51 1aw0 h GLU 55 Ca 0.51 0.02 -0.05 0.00 0.34 0.00 0.00 59.36 60.18 1aw0 h GLU 55 Cb 0.73 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.42 1aw0 h GLU 55 CO -0.28 -0.21 0.24 1.79 -1.16 0.00 0.00 179.01 179.39 1aw0 h THR 56 N -0.33 1.26 -0.25 1.13 1.35 -1.86 -0.51 112.91 113.70 1aw0 h THR 56 Ca -0.03 -0.86 -0.04 0.00 -0.55 0.00 0.00 66.41 64.93 1aw0 h THR 56 Cb 0.26 0.47 -0.01 0.00 -1.73 0.00 0.00 68.15 67.14 1aw0 h THR 56 CO 0.05 0.34 -0.00 -0.07 -0.25 0.00 0.00 175.52 175.58 1aw0 h LEU 57 N 1.04 0.43 -0.38 3.87 3.38 -1.18 0.78 115.31 123.25 1aw0 h LEU 57 Ca 0.23 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.95 1aw0 h LEU 57 Cb 0.27 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 1aw0 h LEU 57 CO -0.01 0.63 0.04 -0.09 0.09 0.00 0.00 178.44 179.11 1aw0 h ARG 58 N 0.21 0.15 -0.70 1.13 2.43 -0.99 -1.66 114.38 114.95 1aw0 h ARG 58 Ca 0.07 -0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.35 1aw0 h ARG 58 Cb 0.42 -0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 29.85 1aw0 h ARG 58 CO 0.01 0.10 0.26 0.78 -1.51 0.00 0.00 179.97 179.62 1aw0 h GLY 59 N 0.16 1.01 0.83 2.80 0.00 -0.65 -0.19 103.07 107.02 1aw0 h GLY 59 Ca 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 1aw0 h GLY 59 CO -0.27 -0.07 0.03 0.00 0.00 0.00 0.00 176.54 176.24 1aw0 h ALA 60 N 1.50 0.18 -0.51 3.60 0.00 -0.29 0.33 119.26 124.08 1aw0 h ALA 60 Ca 0.37 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1aw0 h ALA 60 Cb 0.52 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1aw0 h ALA 60 CO -0.37 -0.18 0.33 0.82 0.00 0.00 0.00 179.25 179.85 1aw0 h ILE 61 N 0.03 1.11 -0.69 0.00 2.04 -1.02 -0.64 117.51 118.34 1aw0 h ILE 61 Ca 0.04 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1aw0 h ILE 61 Cb 0.26 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 1aw0 h ILE 61 CO 0.00 0.12 0.43 -0.08 0.00 0.00 0.00 178.15 178.62 1aw0 h GLU 62 N 0.67 0.93 -0.52 2.37 4.81 -0.92 -1.36 114.58 120.57 1aw0 h GLU 62 Ca 0.19 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1aw0 h GLU 62 Cb -0.06 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.10 1aw0 h GLU 62 CO -0.05 0.66 0.25 0.22 -0.73 0.00 0.00 179.01 179.35 1aw0 h ASP 63 N 0.94 0.68 -0.96 1.04 3.58 -0.46 -2.40 116.42 118.85 1aw0 h ASP 63 Ca 0.25 -0.13 0.03 0.00 0.42 0.00 0.00 57.03 57.60 1aw0 h ASP 63 Cb -0.05 -0.17 -0.05 0.00 1.72 0.00 0.00 39.33 40.78 1aw0 h ASP 63 CO -0.05 0.62 0.63 0.24 -2.88 0.00 0.00 179.24 177.79 1aw0 h MET 64 N 0.69 1.20 0.00 0.28 2.86 -0.87 -3.47 114.93 115.62 1aw0 h MET 64 Ca 0.18 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1aw0 h MET 64 Cb 0.12 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 31.50 1aw0 h MET 64 CO -0.02 0.80 0.00 0.41 1.06 0.00 0.00 176.91 179.15 1aw0 n GLY 65 N -1.36 0.48 2.97 8.32 0.00 -0.54 -5.11 105.19 109.95 1aw0 n GLY 65 Ca 0.12 -0.65 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 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 0.21 -0.80 1.61 0.08 -1.03 -5.02 117.98 113.04 1aw0 s PHE 66 Ca 0.00 -0.44 -0.25 0.00 0.12 0.00 0.00 56.93 56.36 1aw0 s PHE 66 Cb 0.00 -0.16 0.00 0.00 -0.57 0.00 0.00 43.02 42.29 1aw0 s PHE 66 CO 0.00 -0.17 1.65 0.34 -0.10 0.00 0.00 175.22 176.94 1aw0 s ASP 67 N -1.27 5.72 -0.20 1.36 2.15 -0.66 -3.84 116.67 119.93 1aw0 s ASP 67 Ca -0.14 -0.47 -0.10 0.00 0.43 0.00 0.00 52.55 52.27 1aw0 s ASP 67 Cb -0.09 -2.55 -0.05 0.00 -0.30 0.00 0.00 42.92 39.93 1aw0 s ASP 67 CO -0.01 -2.15 0.14 0.00 -0.17 0.00 0.00 175.17 172.98 1aw0 s ALA 68 N 7.63 3.69 -0.14 3.66 0.00 -1.26 -1.49 121.76 133.85 1aw0 s ALA 68 Ca 0.55 -0.68 -0.10 0.00 0.00 0.00 0.00 51.96 51.73 1aw0 s ALA 68 Cb -0.07 -2.18 0.04 0.00 0.00 0.00 0.00 23.12 20.91 1aw0 s ALA 68 CO 0.08 0.16 0.36 -0.08 0.00 0.00 0.00 175.76 176.28 1aw0 s THR 69 N 0.35 -0.01 0.60 0.00 -1.32 -0.75 -4.97 115.64 109.54 1aw0 s THR 69 Ca 0.08 0.05 -0.19 0.00 -1.21 0.00 0.00 61.69 60.43 1aw0 s THR 69 Cb -0.11 -0.52 -0.03 0.00 -1.51 0.00 0.00 72.50 70.33 1aw0 s THR 69 CO -0.02 0.02 1.21 -0.76 -2.21 0.00 0.00 174.62 172.87 1aw0 s LEU 70 N 0.72 3.65 -1.57 9.08 1.43 -1.26 -0.52 118.68 130.20 1aw0 s LEU 70 Ca -0.04 2.40 -0.11 0.00 -1.03 0.00 0.00 54.13 55.35 1aw0 s LEU 70 Cb -0.05 -4.60 -0.05 0.00 0.03 0.00 0.00 46.19 41.52 1aw0 s LEU 70 CO -0.05 -1.64 2.73 -1.20 0.23 0.00 0.00 176.35 176.42 1aw0 n SER 71 N -1.66 7.22 0.00 2.29 7.64 -0.39 -4.78 113.62 123.94 1aw0 n SER 71 Ca 0.14 -2.65 0.00 0.00 1.01 0.00 0.00 58.87 57.36 1aw0 n SER 71 Cb 0.50 -1.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.11 1aw0 n SER 71 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36