#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 -0.12 0.24 -5.08 -4.23 -1.26 -4.35 115.64 100.83 1aw0 s THR 2 Ca 0.00 0.41 0.01 0.00 -1.18 0.00 0.00 61.69 60.93 1aw0 s THR 2 Cb 0.00 -0.16 -0.04 0.00 1.34 0.00 0.00 72.50 73.64 1aw0 s THR 2 CO 0.00 0.17 0.16 -1.10 -0.54 0.00 0.00 174.62 173.31 1aw0 s GLN 3 N 2.11 1.36 0.00 3.99 -1.52 -0.37 -4.98 119.66 120.27 1aw0 s GLN 3 Ca 0.04 -1.74 -0.00 0.00 -1.95 0.00 0.00 55.36 51.70 1aw0 s GLN 3 Cb -0.12 0.22 -0.01 0.00 -0.22 0.00 0.00 33.01 32.89 1aw0 s GLN 3 CO -0.03 -0.45 -0.01 -2.00 -0.25 0.00 0.00 175.29 172.55 1aw0 s GLU 4 N -3.97 0.09 0.03 2.91 2.12 -1.26 -1.05 118.70 117.57 1aw0 s GLU 4 Ca 0.39 -0.16 0.02 0.00 0.36 0.00 0.00 54.97 55.57 1aw0 s GLU 4 Cb 0.06 0.03 -0.02 0.00 0.26 0.00 0.00 34.13 34.46 1aw0 s GLU 4 CO 0.16 -0.01 -0.06 -0.08 -0.54 0.00 0.00 175.26 174.72 1aw0 s THR 5 N -0.40 0.40 -0.08 -1.70 -1.32 -0.55 -5.00 115.64 106.99 1aw0 s THR 5 Ca -0.04 -1.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.45 1aw0 s THR 5 Cb -0.03 -0.49 -0.03 0.00 -1.51 0.00 0.00 72.50 70.44 1aw0 s THR 5 CO -0.00 -0.40 -0.08 -0.69 -2.21 0.00 0.00 174.62 171.24 1aw0 s VAL 6 N -1.36 3.62 -0.06 5.08 1.01 -1.26 -1.05 120.40 126.38 1aw0 s VAL 6 Ca -0.11 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1aw0 s VAL 6 Cb -0.10 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.82 1aw0 s VAL 6 CO -0.00 0.58 -0.05 -0.63 0.00 0.00 0.00 175.10 175.00 1aw0 s ILE 7 N -0.59 0.64 0.11 2.22 1.01 -0.45 -0.94 121.20 123.20 1aw0 s ILE 7 Ca 0.09 -0.12 -0.31 0.00 0.00 0.00 0.00 60.65 60.30 1aw0 s ILE 7 Cb -0.12 -0.68 -0.07 0.00 0.01 0.00 0.00 42.46 41.59 1aw0 s ILE 7 CO 0.02 0.27 1.35 0.20 0.00 0.00 0.00 174.94 176.78 1aw0 s ASN 8 N 1.30 6.88 -0.18 3.58 0.02 0.81 -0.78 114.94 126.57 1aw0 s ASN 8 Ca -0.05 2.26 -0.01 0.00 -1.02 0.00 0.00 52.86 54.05 1aw0 s ASN 8 Cb -0.14 -2.59 0.05 0.00 0.02 0.00 0.00 41.25 38.60 1aw0 s ASN 8 CO -0.02 -0.61 -0.03 -0.63 0.02 0.00 0.00 177.10 175.83 1aw0 s ILE 9 N 1.06 1.01 0.18 0.60 1.01 -0.42 -1.63 121.20 123.00 1aw0 s ILE 9 Ca 0.63 -0.66 0.10 0.00 0.00 0.00 0.00 60.65 60.72 1aw0 s ILE 9 Cb -0.35 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 1aw0 s ILE 9 CO 0.30 0.03 -0.17 -1.81 0.00 0.00 0.00 174.94 173.29 1aw0 s ASP 10 N 1.66 3.83 0.00 3.58 1.01 -0.68 -3.93 116.67 122.15 1aw0 s ASP 10 Ca -0.00 -0.71 0.00 0.00 0.71 0.00 0.00 52.55 52.55 1aw0 s ASP 10 Cb -0.16 -0.49 0.00 0.00 1.01 0.00 0.00 42.92 43.28 1aw0 s ASP 10 CO -0.07 0.12 0.00 0.61 0.21 0.00 0.00 175.17 176.04 1aw0 n GLY 11 N 0.24 0.66 3.52 0.21 0.00 -1.26 -1.21 105.19 107.35 1aw0 n GLY 11 Ca -0.12 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.23 3.31 -0.63 1.61 -1.94 -1.26 -4.94 119.30 114.21 1aw0 s MET 12 Ca 0.00 -0.71 -0.27 0.00 -1.71 0.00 0.00 55.69 53.00 1aw0 s MET 12 Cb 0.00 -4.54 -0.01 0.00 2.01 0.00 0.00 34.83 32.29 1aw0 s MET 12 CO 0.00 -2.06 1.76 0.95 -0.01 0.00 0.00 175.02 175.66 1aw0 s THR 13 N 4.93 3.42 0.03 2.05 -4.23 -1.26 -4.88 115.64 115.70 1aw0 s THR 13 Ca 0.35 0.24 0.00 0.00 -1.18 0.00 0.00 61.69 61.10 1aw0 s THR 13 Cb -0.08 -4.10 0.00 0.00 1.34 0.00 0.00 72.50 69.66 1aw0 s THR 13 CO 0.06 -1.06 0.00 0.00 -0.54 0.00 0.00 174.62 173.08 1aw0 h ASN 15 N -0.11 0.00 0.15 0.00 -1.07 -1.99 -2.29 115.58 110.26 1aw0 h ASN 15 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 56.30 56.39 1aw0 h ASN 15 Cb 0.11 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.33 1aw0 h ASN 15 CO 0.00 0.00 -0.29 0.28 0.07 0.00 0.00 177.43 177.49 1aw0 h SER 16 N 0.00 -0.82 -0.42 6.14 0.02 -1.98 -0.57 113.55 115.92 1aw0 h SER 16 Ca 0.33 0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 61.32 1aw0 h SER 16 Cb 1.34 0.30 -0.02 0.00 0.14 0.00 0.00 62.40 64.17 1aw0 h SER 16 CO -0.00 -0.39 0.03 0.00 -1.14 0.00 0.00 176.83 175.33 1aw0 h VAL 18 N 0.56 0.35 -0.40 0.00 2.07 -1.37 -0.43 116.25 117.04 1aw0 h VAL 18 Ca 0.12 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 1aw0 h VAL 18 Cb 0.43 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1aw0 h VAL 18 CO 0.02 0.00 0.23 -0.61 0.02 0.00 0.00 177.57 177.22 1aw0 h GLN 19 N -0.35 0.54 0.26 1.57 5.75 -1.02 -1.30 115.11 120.56 1aw0 h GLN 19 Ca 0.10 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.54 1aw0 h GLN 19 Cb 0.50 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 1aw0 h GLN 19 CO -0.33 0.42 -0.20 0.77 -2.65 0.00 0.00 178.83 176.85 1aw0 h SER 20 N 0.51 -0.51 0.41 -0.69 0.02 -0.88 0.07 113.55 112.50 1aw0 h SER 20 Ca 0.14 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1aw0 h SER 20 Cb 0.03 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1aw0 h SER 20 CO -0.02 -0.30 -0.29 0.40 -1.14 0.00 0.00 176.83 175.47 1aw0 h ILE 21 N -0.46 0.40 -0.13 3.27 2.04 -1.02 -1.21 117.51 120.39 1aw0 h ILE 21 Ca -0.02 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.87 1aw0 h ILE 21 Cb 0.41 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1aw0 h ILE 21 CO -0.00 0.00 -0.06 -0.08 0.00 0.00 0.00 178.15 178.01 1aw0 h GLU 22 N -0.68 -0.04 0.14 2.37 4.81 -1.20 -1.23 114.58 118.75 1aw0 h GLU 22 Ca -0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1aw0 h GLU 22 Cb 0.58 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 1aw0 h GLU 22 CO 0.02 -0.02 -0.11 0.78 -0.73 0.00 0.00 179.01 178.95 1aw0 h GLY 23 N -0.04 -0.24 1.00 1.92 0.00 -0.91 -1.24 103.07 103.56 1aw0 h GLY 23 Ca 0.07 0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 1aw0 h GLY 23 CO -0.16 -0.11 -0.22 -2.08 0.00 0.00 0.00 176.54 173.97 1aw0 h VAL 24 N -0.25 0.56 -0.37 4.60 2.07 -1.10 -3.22 116.25 118.53 1aw0 h VAL 24 Ca -0.00 -0.01 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 1aw0 h VAL 24 Cb 0.23 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1aw0 h VAL 24 CO -0.01 0.00 -0.08 0.40 0.02 0.00 0.00 177.57 177.90 1aw0 h ILE 25 N -0.62 1.23 -0.60 4.57 2.04 -1.19 -2.10 117.51 120.84 1aw0 h ILE 25 Ca -0.06 -1.01 0.17 0.00 1.00 0.00 0.00 64.86 64.95 1aw0 h ILE 25 Cb 0.47 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 1aw0 h ILE 25 CO 0.10 0.34 0.43 0.77 0.00 0.00 0.00 178.15 179.79 1aw0 h SER 26 N 0.57 0.05 0.59 1.72 4.64 -1.23 -1.29 113.55 118.60 1aw0 h SER 26 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1aw0 h SER 26 Cb 0.48 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1aw0 h SER 26 CO 0.03 0.03 -0.54 0.29 -0.87 0.00 0.00 176.83 175.76 1aw0 n LYS 27 N -4.38 0.07 -2.18 4.77 5.02 -0.80 -4.78 118.16 115.89 1aw0 n LYS 27 Ca 0.11 0.02 -0.38 0.00 -2.02 0.00 0.00 58.31 56.04 1aw0 n LYS 27 Cb 0.64 -1.54 -0.01 0.00 -0.02 0.00 0.00 35.03 34.10 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 -3.04 3.88 0.21 1.97 -0.14 -0.49 -4.94 119.74 117.19 1aw0 s LYS 28 Ca 0.10 1.94 -0.31 0.00 -1.36 0.00 0.00 55.97 56.34 1aw0 s LYS 28 Cb 0.17 -2.60 -0.10 0.00 -1.68 0.00 0.00 37.83 33.61 1aw0 s LYS 28 CO 0.70 -0.49 1.55 -1.25 -0.76 0.00 0.00 175.35 175.10 1aw0 s PRO 29 N -2.43 4.21 0.00 -1.68 0.04 -1.26 -2.31 135.00 131.57 1aw0 s PRO 29 Ca 0.60 2.39 0.00 0.00 0.04 0.00 0.00 61.00 64.03 1aw0 s PRO 29 Cb -0.33 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1aw0 s PRO 29 CO 0.41 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 177.29 1aw0 n GLY 30 N 3.08 3.00 3.70 0.56 0.00 -1.26 -4.30 105.19 109.98 1aw0 n GLY 30 Ca 0.11 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.75 3.37 0.00 1.61 1.01 -0.98 -1.30 120.40 122.36 1aw0 s VAL 31 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1aw0 s VAL 31 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1aw0 s VAL 31 CO 0.00 0.04 0.00 0.29 0.00 0.00 0.00 175.10 175.43 1aw0 n LYS 32 N 4.64 0.00 -3.12 2.72 5.02 -0.15 -4.86 118.16 122.42 1aw0 n LYS 32 Ca 0.13 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.13 1aw0 n LYS 32 Cb 0.42 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 6.43 -0.07 4.39 1.04 -1.25 -4.92 113.70 118.32 1aw0 s SER 33 Ca 0.00 0.84 -0.15 0.00 0.48 0.00 0.00 55.95 57.12 1aw0 s SER 33 Cb 0.00 -2.20 0.03 0.00 0.10 0.00 0.00 66.02 63.95 1aw0 s SER 33 CO 0.00 -0.31 0.36 -0.51 0.98 0.00 0.00 173.24 173.76 1aw0 s ILE 34 N -2.26 0.03 0.01 -1.02 2.07 -1.26 -1.09 121.20 117.66 1aw0 s ILE 34 Ca 0.46 -0.24 0.02 0.00 -1.41 0.00 0.00 60.65 59.47 1aw0 s ILE 34 Cb -0.10 -0.60 -0.01 0.00 0.13 0.00 0.00 42.46 41.88 1aw0 s ILE 34 CO 0.33 -0.13 -0.06 0.00 -1.91 0.00 0.00 174.94 173.17 1aw0 s ARG 35 N -0.67 0.43 -0.17 3.50 1.04 -0.75 -5.04 118.95 117.30 1aw0 s ARG 35 Ca -0.08 -0.29 0.00 0.00 -1.04 0.00 0.00 55.73 54.32 1aw0 s ARG 35 Cb -0.04 -0.37 0.03 0.00 -2.04 0.00 0.00 34.95 32.53 1aw0 s ARG 35 CO 0.03 0.10 -0.11 0.08 -0.04 0.00 0.00 175.30 175.36 1aw0 s VAL 36 N -0.37 1.48 -0.23 4.99 1.01 -1.26 -1.20 120.40 124.83 1aw0 s VAL 36 Ca -0.00 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 1aw0 s VAL 36 Cb -0.04 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1aw0 s VAL 36 CO -0.00 0.30 0.08 -0.55 0.00 0.00 0.00 175.10 174.93 1aw0 s SER 37 N 1.49 5.41 0.03 3.32 0.15 -0.32 -4.99 113.70 118.79 1aw0 s SER 37 Ca 0.02 -0.08 -0.19 0.00 0.70 0.00 0.00 55.95 56.41 1aw0 s SER 37 Cb -0.14 -1.96 -0.19 0.00 -1.71 0.00 0.00 66.02 62.02 1aw0 s SER 37 CO -0.09 0.05 1.19 0.25 1.20 0.00 0.00 173.24 175.84 1aw0 h LEU 38 N 7.64 0.56 -0.57 3.45 5.85 -1.96 -0.72 115.31 129.57 1aw0 h LEU 38 Ca -0.37 -0.67 0.08 0.00 0.84 0.00 0.00 57.88 57.76 1aw0 h LEU 38 Cb 1.18 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.98 1aw0 h LEU 38 CO 0.62 1.14 0.22 0.00 -0.34 0.00 0.00 178.44 180.08 1aw0 h ALA 39 N 0.43 0.72 -0.00 1.25 0.00 -1.96 -1.10 119.26 118.60 1aw0 h ALA 39 Ca -0.04 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1aw0 h ALA 39 Cb 1.15 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1aw0 h ALA 39 CO 0.10 -0.17 -0.36 0.09 0.00 0.00 0.00 179.25 178.91 1aw0 n ASN 40 N -4.97 0.70 -3.60 0.00 4.13 -1.25 -4.99 115.26 105.28 1aw0 n ASN 40 Ca 0.07 -0.51 -0.22 0.00 1.68 0.00 0.00 54.58 55.60 1aw0 n ASN 40 Cb 0.23 0.16 0.04 0.00 -1.54 0.00 0.00 39.78 38.67 1aw0 n ASN 40 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1aw0 n SER 41 N -1.11 -3.01 -3.74 6.41 7.64 -0.39 -4.93 113.62 114.49 1aw0 n SER 41 Ca 0.09 -0.83 -0.08 0.00 1.01 0.00 0.00 58.87 59.05 1aw0 n SER 41 Cb 0.34 -4.18 -0.02 0.00 -1.01 0.00 0.00 64.21 59.34 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 -4.01 -0.35 -0.12 6.43 4.22 -0.53 -1.30 114.94 119.29 1aw0 s ASN 42 Ca 0.18 -0.44 0.00 0.00 -2.14 0.00 0.00 52.86 50.46 1aw0 s ASN 42 Cb -0.05 0.69 0.02 0.00 1.28 0.00 0.00 41.25 43.20 1aw0 s ASN 42 CO 0.81 -1.24 -0.11 -0.83 -2.04 0.00 0.00 177.10 173.68 1aw0 s GLY 43 N -2.87 0.93 -0.37 0.45 0.00 0.04 -1.17 107.32 104.33 1aw0 s GLY 43 Ca 0.08 -0.65 -0.14 0.00 0.00 0.00 0.00 44.72 44.01 1aw0 s GLY 43 CO 0.01 0.58 0.28 -1.59 0.00 0.00 0.00 173.10 172.39 1aw0 s THR 44 N 1.44 5.26 -0.17 0.90 2.01 -0.34 -1.34 115.64 123.40 1aw0 s THR 44 Ca 0.01 -0.39 0.00 0.00 0.31 0.00 0.00 61.69 61.63 1aw0 s THR 44 Cb -0.13 -3.82 0.01 0.00 0.01 0.00 0.00 72.50 68.56 1aw0 s THR 44 CO -0.07 -0.16 -0.17 -0.69 -0.69 0.00 0.00 174.62 172.85 1aw0 s VAL 45 N 1.74 2.42 -0.06 3.82 1.01 -0.22 -1.81 120.40 127.31 1aw0 s VAL 45 Ca 0.06 -0.83 -0.20 0.00 0.00 0.00 0.00 61.98 61.01 1aw0 s VAL 45 Cb -0.18 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 1aw0 s VAL 45 CO 0.11 0.52 0.56 -0.70 0.00 0.00 0.00 175.10 175.59 1aw0 s GLU 46 N 1.11 4.33 0.22 2.72 2.12 -0.25 -1.48 118.70 127.47 1aw0 s GLU 46 Ca 0.00 0.65 -0.12 0.00 0.36 0.00 0.00 54.97 55.86 1aw0 s GLU 46 Cb -0.14 -3.39 -0.00 0.00 0.26 0.00 0.00 34.13 30.85 1aw0 s GLU 46 CO -0.06 0.25 0.41 1.52 -0.54 0.00 0.00 175.26 176.84 1aw0 s TYR 47 N 0.24 0.38 -0.36 5.30 1.13 -0.22 -0.98 117.35 122.84 1aw0 s TYR 47 Ca 0.30 -0.73 -0.11 0.00 -1.41 0.00 0.00 57.07 55.12 1aw0 s TYR 47 Cb -0.17 0.10 0.02 0.00 -1.10 0.00 0.00 41.96 40.81 1aw0 s TYR 47 CO 0.15 -0.90 0.20 0.34 -2.51 0.00 0.00 175.55 172.84 1aw0 s ASP 48 N -3.00 5.73 0.39 -0.18 2.15 -0.42 -1.23 116.67 120.11 1aw0 s ASP 48 Ca 0.21 -0.88 0.24 0.00 0.43 0.00 0.00 52.55 52.55 1aw0 s ASP 48 Cb 0.01 -2.03 1.33 0.00 -0.30 0.00 0.00 42.92 41.93 1aw0 s ASP 48 CO 0.06 -0.35 1.61 -0.65 -0.17 0.00 0.00 175.17 175.67 1aw0 h PRO 49 N 8.43 0.10 -0.30 4.34 0.11 -1.76 -0.67 132.00 142.25 1aw0 h PRO 49 Ca -0.27 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.78 1aw0 h PRO 49 Cb 1.11 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1aw0 h PRO 49 CO 0.66 0.06 -0.04 -0.07 -0.21 0.00 0.00 178.00 178.40 1aw0 h LEU 50 N 0.10 0.44 0.00 2.35 3.38 -1.94 -3.32 115.31 116.31 1aw0 h LEU 50 Ca 0.82 -0.09 -0.31 0.00 0.09 0.00 0.00 57.88 58.39 1aw0 h LEU 50 Cb 2.29 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 42.87 1aw0 h LEU 50 CO -0.59 0.54 -2.15 0.18 0.09 0.00 0.00 178.44 176.51 1aw0 n LEU 51 N -4.27 1.09 -4.07 1.67 4.77 -0.44 -5.05 117.00 110.70 1aw0 n LEU 51 Ca 0.01 -0.04 -0.13 0.00 -0.03 0.00 0.00 56.01 55.82 1aw0 n LEU 51 Cb 0.26 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.29 1aw0 n LEU 51 CO 0.39 0.57 0.14 0.28 -1.33 0.00 0.00 177.39 177.44 1aw0 s THR 52 N -2.41 0.00 0.15 -5.08 -1.32 -0.39 -4.76 115.64 101.84 1aw0 s THR 52 Ca -0.15 -1.56 -0.12 0.00 -1.21 0.00 0.00 61.69 58.64 1aw0 s THR 52 Cb 0.06 -2.56 0.01 0.00 -1.51 0.00 0.00 72.50 68.50 1aw0 s THR 52 CO 0.60 0.00 0.34 -0.94 -2.21 0.00 0.00 174.62 172.42 1aw0 s SER 53 N -3.18 -0.06 0.19 8.08 1.04 -1.26 -3.57 113.70 114.94 1aw0 s SER 53 Ca 0.29 -0.66 -0.12 0.00 0.48 0.00 0.00 55.95 55.94 1aw0 s SER 53 Cb -0.00 0.46 0.23 0.00 0.10 0.00 0.00 66.02 66.80 1aw0 s SER 53 CO 0.17 -0.90 1.72 -0.65 0.98 0.00 0.00 173.24 174.57 1aw0 h PRO 54 N 2.47 0.27 -0.37 4.02 0.11 -1.99 -1.00 132.00 135.51 1aw0 h PRO 54 Ca -0.32 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.70 1aw0 h PRO 54 Cb 1.24 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1aw0 h PRO 54 CO 0.47 0.18 -0.09 1.05 -0.21 0.00 0.00 178.00 179.40 1aw0 h GLU 55 N 0.28 0.64 -0.22 1.05 9.09 -1.98 -0.07 114.58 123.37 1aw0 h GLU 55 Ca 0.27 -0.19 -0.05 0.00 0.05 0.00 0.00 59.36 59.45 1aw0 h GLU 55 Cb 0.36 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 27.39 1aw0 h GLU 55 CO -0.33 0.73 -0.04 1.15 0.05 0.00 0.00 179.01 180.56 1aw0 h THR 56 N 0.59 1.28 -0.28 -1.06 2.02 -1.82 -0.40 112.91 113.24 1aw0 h THR 56 Ca 0.11 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 66.28 1aw0 h THR 56 Cb 0.51 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 1aw0 h THR 56 CO 0.03 0.31 0.18 -0.07 0.37 0.00 0.00 175.52 176.34 1aw0 h LEU 57 N 0.15 0.33 -0.52 2.58 3.38 -1.02 0.05 115.31 120.26 1aw0 h LEU 57 Ca 0.06 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.07 1aw0 h LEU 57 Cb 0.48 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 1aw0 h LEU 57 CO 0.02 0.27 0.18 -0.09 0.09 0.00 0.00 178.44 178.91 1aw0 h ARG 58 N 0.37 0.34 -0.66 1.13 2.43 -0.99 -1.34 114.38 115.67 1aw0 h ARG 58 Ca 0.10 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.30 1aw0 h ARG 58 Cb -0.01 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.41 1aw0 h ARG 58 CO -0.02 0.23 0.38 0.78 -1.51 0.00 0.00 179.97 179.83 1aw0 h GLY 59 N 0.35 0.96 0.91 2.80 0.00 -0.54 -0.34 103.07 107.22 1aw0 h GLY 59 Ca 0.25 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 1aw0 h GLY 59 CO -0.27 0.19 0.11 0.00 0.00 0.00 0.00 176.54 176.58 1aw0 h ALA 60 N 1.32 0.39 -0.44 3.60 0.00 -0.35 0.86 119.26 124.64 1aw0 h ALA 60 Ca 0.28 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1aw0 h ALA 60 Cb 0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1aw0 h ALA 60 CO -0.15 -0.00 0.29 0.82 0.00 0.00 0.00 179.25 180.20 1aw0 h ILE 61 N 0.33 1.11 -0.78 0.00 2.04 -1.06 -1.26 117.51 117.88 1aw0 h ILE 61 Ca 0.10 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 1aw0 h ILE 61 Cb 0.20 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1aw0 h ILE 61 CO -0.01 0.11 0.45 -0.08 0.00 0.00 0.00 178.15 178.62 1aw0 h GLU 62 N 0.59 1.08 -0.46 2.37 4.57 -0.84 -1.87 114.58 120.01 1aw0 h GLU 62 Ca 0.16 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1aw0 h GLU 62 Cb -0.06 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.29 1aw0 h GLU 62 CO -0.04 0.78 0.20 0.22 -1.18 0.00 0.00 179.01 178.99 1aw0 h ASP 63 N 1.08 0.63 -0.68 1.04 3.58 -0.48 -2.49 116.42 119.09 1aw0 h ASP 63 Ca 0.28 -0.16 0.04 0.00 0.42 0.00 0.00 57.03 57.61 1aw0 h ASP 63 Cb 0.00 -0.16 -0.05 0.00 1.72 0.00 0.00 39.33 40.84 1aw0 h ASP 63 CO -0.05 0.61 0.41 0.24 -2.88 0.00 0.00 179.24 177.57 1aw0 h MET 64 N 0.61 0.76 0.00 0.28 2.86 -1.02 -3.47 114.93 114.94 1aw0 h MET 64 Ca 0.16 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1aw0 h MET 64 Cb 0.17 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1aw0 h MET 64 CO -0.02 0.50 0.00 0.41 1.06 0.00 0.00 176.91 178.87 1aw0 n GLY 65 N -1.29 0.28 2.95 8.32 0.00 -0.72 -5.12 105.19 109.61 1aw0 n GLY 65 Ca 0.08 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.32 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 0.19 -0.74 1.61 0.08 -1.11 -4.99 117.98 113.02 1aw0 s PHE 66 Ca 0.00 -0.38 -0.26 0.00 0.12 0.00 0.00 56.93 56.41 1aw0 s PHE 66 Cb 0.00 -0.14 -0.03 0.00 -0.57 0.00 0.00 43.02 42.28 1aw0 s PHE 66 CO 0.00 -0.14 1.88 0.34 -0.10 0.00 0.00 175.22 177.20 1aw0 s ASP 67 N -1.07 5.25 -0.23 1.36 2.15 -0.35 -3.95 116.67 119.83 1aw0 s ASP 67 Ca -0.12 -0.10 -0.08 0.00 0.43 0.00 0.00 52.55 52.68 1aw0 s ASP 67 Cb -0.07 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 39.97 1aw0 s ASP 67 CO -0.01 -2.50 0.08 0.00 -0.17 0.00 0.00 175.17 172.58 1aw0 s ALA 68 N 9.35 3.29 -0.02 3.66 0.00 -1.26 -1.68 121.76 135.10 1aw0 s ALA 68 Ca 0.67 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 51.61 1aw0 s ALA 68 Cb -0.10 -2.07 0.00 0.00 0.00 0.00 0.00 23.12 20.95 1aw0 s ALA 68 CO 0.12 -0.26 0.08 0.95 0.00 0.00 0.00 175.76 176.64 1aw0 s THR 69 N 1.20 0.03 0.42 0.00 -4.23 -0.65 -4.93 115.64 107.49 1aw0 s THR 69 Ca 0.05 -0.23 -0.25 0.00 -1.18 0.00 0.00 61.69 60.07 1aw0 s THR 69 Cb -0.14 -0.19 -0.08 0.00 1.34 0.00 0.00 72.50 73.42 1aw0 s THR 69 CO 0.04 -0.13 1.32 -0.76 -0.54 0.00 0.00 174.62 174.55 1aw0 s LEU 70 N -0.38 4.16 -0.16 4.79 1.43 -1.26 -0.13 118.68 127.12 1aw0 s LEU 70 Ca -0.04 2.70 0.14 0.00 -1.03 0.00 0.00 54.13 55.89 1aw0 s LEU 70 Cb -0.03 -3.95 0.38 0.00 0.03 0.00 0.00 46.19 42.63 1aw0 s LEU 70 CO 0.00 -0.96 1.19 -0.24 0.23 0.00 0.00 176.35 176.58 1aw0 n SER 71 N -0.03 1.69 0.00 2.29 2.88 -0.12 -4.63 113.62 115.70 1aw0 n SER 71 Ca 0.04 -3.48 0.00 0.00 -1.33 0.00 0.00 58.87 54.11 1aw0 n SER 71 Cb 0.43 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 1aw0 n SER 71 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14