#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 0.16 -5.08 -4.23 -1.26 -4.36 115.64 100.78 1aw0 s THR 2 Ca 0.00 0.30 -0.04 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 0.16 -1.10 -0.54 0.00 0.00 174.62 173.27 1aw0 s GLN 3 N 1.51 1.07 0.19 3.99 -1.52 -0.39 -4.97 119.66 119.53 1aw0 s GLN 3 Ca -0.04 -1.36 0.10 0.00 -1.95 0.00 0.00 55.36 52.11 1aw0 s GLN 3 Cb -0.13 0.30 -0.04 0.00 -0.22 0.00 0.00 33.01 32.92 1aw0 s GLN 3 CO -0.03 -0.35 -0.21 -1.21 -0.25 0.00 0.00 175.29 173.24 1aw0 s GLU 4 N -4.03 1.44 -0.15 2.91 2.02 -1.26 -1.18 118.70 118.45 1aw0 s GLU 4 Ca 0.24 -1.52 -0.10 0.00 0.02 0.00 0.00 54.97 53.61 1aw0 s GLU 4 Cb 0.06 -1.62 0.05 0.00 0.10 0.00 0.00 34.13 32.72 1aw0 s GLU 4 CO 0.03 0.33 0.37 -0.08 0.02 0.00 0.00 175.26 175.93 1aw0 s THR 5 N -1.97 -0.02 -0.57 3.63 -1.32 -0.63 -5.00 115.64 109.76 1aw0 s THR 5 Ca 0.20 0.07 -0.16 0.00 -1.21 0.00 0.00 61.69 60.59 1aw0 s THR 5 Cb -0.06 -0.54 0.14 0.00 -1.51 0.00 0.00 72.50 70.53 1aw0 s THR 5 CO 0.09 0.03 0.54 -0.69 -2.21 0.00 0.00 174.62 172.38 1aw0 s VAL 6 N 0.93 5.23 -0.35 5.08 1.01 -1.26 -1.43 120.40 129.60 1aw0 s VAL 6 Ca -0.06 -1.57 -0.13 0.00 0.00 0.00 0.00 61.98 60.22 1aw0 s VAL 6 Cb -0.07 -4.36 -0.01 0.00 0.00 0.00 0.00 36.38 31.94 1aw0 s VAL 6 CO -0.07 -0.90 0.26 -0.63 0.00 0.00 0.00 175.10 173.76 1aw0 s ILE 7 N 1.52 5.28 0.11 2.22 1.01 -0.67 -1.32 121.20 129.35 1aw0 s ILE 7 Ca 0.05 -0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.12 1aw0 s ILE 7 Cb -0.28 -3.76 -0.06 0.00 0.01 0.00 0.00 42.46 38.37 1aw0 s ILE 7 CO 0.02 -0.07 1.14 0.20 0.00 0.00 0.00 174.94 176.23 1aw0 s ASN 8 N 1.72 7.18 -0.25 3.58 0.01 0.58 -0.76 114.94 127.01 1aw0 s ASN 8 Ca 0.06 2.02 0.00 0.00 -0.71 0.00 0.00 52.86 54.24 1aw0 s ASN 8 Cb -0.18 -2.59 0.07 0.00 0.41 0.00 0.00 41.25 38.96 1aw0 s ASN 8 CO 0.11 -0.34 -0.02 -0.63 -1.51 0.00 0.00 177.10 174.70 1aw0 s ILE 9 N 0.46 1.43 -0.12 0.60 1.01 -0.29 -1.44 121.20 122.85 1aw0 s ILE 9 Ca 0.54 -1.26 -0.07 0.00 0.00 0.00 0.00 60.65 59.86 1aw0 s ILE 9 Cb -0.29 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 1aw0 s ILE 9 CO 0.32 -0.21 0.14 -0.62 0.00 0.00 0.00 174.94 174.58 1aw0 s ASP 10 N 1.42 6.39 0.00 3.58 2.15 -0.72 -4.19 116.67 125.31 1aw0 s ASP 10 Ca -0.03 0.47 0.00 0.00 0.43 0.00 0.00 52.55 53.43 1aw0 s ASP 10 Cb -0.19 -2.07 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 1aw0 s ASP 10 CO -0.08 0.41 0.00 0.61 -0.17 0.00 0.00 175.17 175.93 1aw0 n GLY 11 N 2.00 1.12 3.58 2.66 0.00 -1.26 -1.75 105.19 111.54 1aw0 n GLY 11 Ca -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.47 3.47 -1.00 1.61 -1.94 -1.26 -4.95 119.30 114.75 1aw0 s MET 12 Ca 0.00 0.35 -0.23 0.00 -1.71 0.00 0.00 55.69 54.10 1aw0 s MET 12 Cb 0.00 -4.04 0.04 0.00 2.01 0.00 0.00 34.83 32.84 1aw0 s MET 12 CO 0.00 -1.74 1.50 0.95 -0.01 0.00 0.00 175.02 175.72 1aw0 s THR 13 N 5.26 3.86 0.00 2.05 -4.23 -1.26 -4.81 115.64 116.51 1aw0 s THR 13 Ca 0.47 -0.70 0.00 0.00 -1.18 0.00 0.00 61.69 60.28 1aw0 s THR 13 Cb -0.09 -4.94 0.00 0.00 1.34 0.00 0.00 72.50 68.81 1aw0 s THR 13 CO 0.26 -1.83 0.00 0.00 -0.54 0.00 0.00 174.62 172.51 1aw0 n ASN 15 N 3.03 0.27 -0.06 0.00 6.94 -1.26 -4.71 115.26 119.46 1aw0 n ASN 15 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 54.58 54.47 1aw0 n ASN 15 Cb 0.00 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.40 1aw0 n ASN 15 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 1aw0 h SER 16 N 0.00 -1.01 -0.30 0.53 4.64 -1.97 -0.55 113.55 114.88 1aw0 h SER 16 Ca 0.00 0.17 -0.08 0.00 -0.47 0.00 0.00 61.79 61.41 1aw0 h SER 16 Cb 0.07 0.46 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 1aw0 h SER 16 CO 0.00 -0.33 -0.12 0.00 -0.87 0.00 0.00 176.83 175.51 1aw0 h VAL 18 N 0.38 0.62 0.01 0.00 2.07 -1.75 -0.45 116.25 117.12 1aw0 h VAL 18 Ca 0.07 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 1aw0 h VAL 18 Cb 0.63 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1aw0 h VAL 18 CO 0.04 0.00 -0.00 1.56 0.02 0.00 0.00 177.57 179.19 1aw0 h GLN 19 N -0.06 -0.01 -0.32 1.57 4.20 -1.09 -1.47 115.11 117.93 1aw0 h GLN 19 Ca 0.15 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 1aw0 h GLN 19 Cb 0.29 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1aw0 h GLN 19 CO -0.33 0.08 0.16 0.66 -0.67 0.00 0.00 178.83 178.72 1aw0 h SER 20 N -0.10 0.42 0.25 1.46 4.64 -1.07 -0.83 113.55 118.32 1aw0 h SER 20 Ca -0.00 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1aw0 h SER 20 Cb 0.09 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 1aw0 h SER 20 CO 0.00 0.42 -0.20 0.40 -0.87 0.00 0.00 176.83 176.58 1aw0 h ILE 21 N 0.38 0.57 -0.06 0.95 2.04 -1.10 -1.24 117.51 119.05 1aw0 h ILE 21 Ca 0.11 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.00 1aw0 h ILE 21 Cb 0.12 0.57 -0.06 0.00 -0.74 0.00 0.00 36.82 36.70 1aw0 h ILE 21 CO -0.01 0.00 -0.44 -0.08 0.00 0.00 0.00 178.15 177.62 1aw0 h GLU 22 N -0.47 -0.54 0.43 2.37 4.22 -1.06 -0.56 114.58 118.98 1aw0 h GLU 22 Ca -0.01 0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.45 1aw0 h GLU 22 Cb 0.41 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1aw0 h GLU 22 CO -0.02 -0.36 -0.36 0.78 -2.18 0.00 0.00 179.01 176.88 1aw0 h GLY 23 N -0.56 -0.87 0.90 1.92 0.00 -1.10 -1.68 103.07 101.69 1aw0 h GLY 23 Ca 0.05 0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.77 1aw0 h GLY 23 CO -0.36 -0.31 -0.17 -2.08 0.00 0.00 0.00 176.54 173.62 1aw0 h VAL 24 N -0.79 0.67 -0.63 4.60 2.07 -1.10 -3.03 116.25 118.04 1aw0 h VAL 24 Ca -0.04 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1aw0 h VAL 24 Cb 0.68 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1aw0 h VAL 24 CO -0.02 0.04 0.32 0.40 0.02 0.00 0.00 177.57 178.33 1aw0 h ILE 25 N -0.57 1.20 -0.53 4.57 1.08 -1.15 -0.84 117.51 121.27 1aw0 h ILE 25 Ca -0.05 -0.54 0.15 0.00 -0.39 0.00 0.00 64.86 64.03 1aw0 h ILE 25 Cb 0.42 0.38 -0.02 0.00 -3.07 0.00 0.00 36.82 34.53 1aw0 h ILE 25 CO 0.08 0.23 0.40 -1.28 -0.69 0.00 0.00 178.15 176.90 1aw0 h SER 26 N 0.88 0.00 0.77 1.72 0.87 -1.18 -1.83 113.55 114.79 1aw0 h SER 26 Ca 0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1aw0 h SER 26 Cb 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1aw0 h SER 26 CO -0.03 0.00 -0.72 0.29 -0.53 0.00 0.00 176.83 175.84 1aw0 n LYS 27 N -4.26 0.29 -1.98 2.24 5.02 -0.34 -4.75 118.16 114.39 1aw0 n LYS 27 Ca 0.10 0.07 -0.39 0.00 -2.02 0.00 0.00 58.31 56.06 1aw0 n LYS 27 Cb 0.63 -1.67 0.01 0.00 -0.02 0.00 0.00 35.03 33.98 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 -3.18 3.78 0.40 1.97 3.01 -0.69 -4.95 119.74 120.09 1aw0 s LYS 28 Ca 0.06 2.19 -0.26 0.00 -1.01 0.00 0.00 55.97 56.94 1aw0 s LYS 28 Cb 0.14 -2.64 -0.09 0.00 -1.01 0.00 0.00 37.83 34.23 1aw0 s LYS 28 CO 0.74 -0.66 1.35 -1.25 0.51 0.00 0.00 175.35 176.03 1aw0 s PRO 29 N -2.42 3.96 0.00 -1.68 0.04 -1.26 -2.44 135.00 131.20 1aw0 s PRO 29 Ca 0.60 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.90 1aw0 s PRO 29 Cb -0.39 -2.79 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1aw0 s PRO 29 CO 0.49 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 177.41 1aw0 n GLY 30 N 0.64 2.77 3.72 0.56 0.00 -1.26 -4.50 105.19 107.12 1aw0 n GLY 30 Ca 0.03 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.70 3.74 0.00 1.61 1.01 -1.02 -1.36 120.40 122.68 1aw0 s VAL 31 Ca 0.00 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.29 1aw0 s VAL 31 Cb 0.00 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1aw0 s VAL 31 CO 0.00 0.14 0.00 0.29 0.00 0.00 0.00 175.10 175.53 1aw0 n LYS 32 N 3.43 0.00 -2.73 2.72 5.02 0.04 -4.88 118.16 121.76 1aw0 n LYS 32 Ca 0.08 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.13 1aw0 n LYS 32 Cb 0.45 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.48 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 5.62 -0.12 4.39 1.04 -1.25 -4.86 113.70 117.52 1aw0 s SER 33 Ca 0.00 0.35 -0.07 0.00 0.48 0.00 0.00 55.95 56.71 1aw0 s SER 33 Cb 0.00 -1.44 0.04 0.00 0.10 0.00 0.00 66.02 64.73 1aw0 s SER 33 CO 0.00 -0.92 0.29 -0.51 0.98 0.00 0.00 173.24 173.08 1aw0 s ILE 34 N -2.74 -0.03 -0.32 -1.02 2.07 -1.26 -1.43 121.20 116.47 1aw0 s ILE 34 Ca 0.52 0.10 -0.00 0.00 -1.41 0.00 0.00 60.65 59.86 1aw0 s ILE 34 Cb -0.10 -0.44 0.07 0.00 0.13 0.00 0.00 42.46 42.13 1aw0 s ILE 34 CO 0.40 0.04 0.03 -0.13 -1.91 0.00 0.00 174.94 173.38 1aw0 s ARG 35 N 1.00 2.12 -0.29 3.50 3.00 -0.87 -4.97 118.95 122.45 1aw0 s ARG 35 Ca -0.07 -1.52 -0.13 0.00 0.00 0.00 0.00 55.73 54.01 1aw0 s ARG 35 Cb -0.08 -3.22 -0.04 0.00 0.00 0.00 0.00 34.95 31.61 1aw0 s ARG 35 CO -0.07 -0.77 0.27 0.08 0.00 0.00 0.00 175.30 174.81 1aw0 s VAL 36 N 1.13 5.25 -0.19 3.52 1.01 -1.26 -1.65 120.40 128.21 1aw0 s VAL 36 Ca 0.00 0.27 -0.04 0.00 0.00 0.00 0.00 61.98 62.21 1aw0 s VAL 36 Cb -0.20 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 1aw0 s VAL 36 CO -0.04 0.17 -0.02 -0.55 0.00 0.00 0.00 175.10 174.66 1aw0 s SER 37 N 1.71 4.70 0.00 3.32 0.15 -0.17 -5.00 113.70 118.42 1aw0 s SER 37 Ca 0.10 -0.22 -0.25 0.00 0.70 0.00 0.00 55.95 56.28 1aw0 s SER 37 Cb -0.16 -1.79 -0.18 0.00 -1.71 0.00 0.00 66.02 62.18 1aw0 s SER 37 CO 0.11 0.08 1.29 0.25 1.20 0.00 0.00 173.24 176.16 1aw0 h LEU 38 N 7.36 -0.16 -0.61 3.45 7.12 -1.87 -1.10 115.31 129.50 1aw0 h LEU 38 Ca -0.35 -0.29 0.10 0.00 0.13 0.00 0.00 57.88 57.48 1aw0 h LEU 38 Cb 1.18 0.04 -0.08 0.00 -0.53 0.00 0.00 40.66 41.27 1aw0 h LEU 38 CO 0.61 0.22 0.19 0.00 -0.13 0.00 0.00 178.44 179.33 1aw0 h ALA 39 N 0.21 0.77 -0.00 1.25 0.00 -1.95 -0.17 119.26 119.37 1aw0 h ALA 39 Ca -0.02 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1aw0 h ALA 39 Cb 0.44 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1aw0 h ALA 39 CO 0.03 -0.24 -0.36 0.09 0.00 0.00 0.00 179.25 178.78 1aw0 n ASN 40 N -5.05 0.68 -3.67 0.00 4.13 -1.25 -4.98 115.26 105.12 1aw0 n ASN 40 Ca 0.09 -0.49 -0.24 0.00 1.68 0.00 0.00 54.58 55.62 1aw0 n ASN 40 Cb 0.30 0.15 0.03 0.00 -1.54 0.00 0.00 39.78 38.72 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 -1.13 -2.97 -3.85 6.41 7.64 -0.08 -4.91 113.62 114.73 1aw0 n SER 41 Ca 0.09 -0.89 -0.09 0.00 1.01 0.00 0.00 58.87 58.99 1aw0 n SER 41 Cb 0.34 -3.87 -0.04 0.00 -1.01 0.00 0.00 64.21 59.63 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 -3.98 -0.22 -0.17 6.43 2.20 -0.71 -1.13 114.94 117.36 1aw0 s ASN 42 Ca 0.20 -0.65 0.00 0.00 -0.94 0.00 0.00 52.86 51.48 1aw0 s ASN 42 Cb -0.06 0.64 0.03 0.00 -2.00 0.00 0.00 41.25 39.86 1aw0 s ASN 42 CO 0.83 -1.18 -0.12 -0.83 -2.94 0.00 0.00 177.10 172.86 1aw0 s GLY 43 N -2.93 1.16 -0.52 0.45 0.00 0.06 -0.99 107.32 104.55 1aw0 s GLY 43 Ca 0.14 -1.02 -0.16 0.00 0.00 0.00 0.00 44.72 43.68 1aw0 s GLY 43 CO 0.04 0.64 0.50 -0.51 0.00 0.00 0.00 173.10 173.77 1aw0 s THR 44 N 1.47 5.14 -0.22 0.90 -4.23 -0.66 -1.67 115.64 116.37 1aw0 s THR 44 Ca 0.02 -1.18 -0.11 0.00 -1.18 0.00 0.00 61.69 59.24 1aw0 s THR 44 Cb -0.14 -4.28 -0.05 0.00 1.34 0.00 0.00 72.50 69.37 1aw0 s THR 44 CO -0.09 -0.79 0.18 -0.69 -0.54 0.00 0.00 174.62 172.68 1aw0 s VAL 45 N 1.86 5.36 -0.18 2.29 1.01 -0.51 -2.05 120.40 128.18 1aw0 s VAL 45 Ca 0.06 0.26 -0.16 0.00 0.00 0.00 0.00 61.98 62.14 1aw0 s VAL 45 Cb -0.26 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1aw0 s VAL 45 CO 0.06 0.38 0.39 -1.61 0.00 0.00 0.00 175.10 174.31 1aw0 s GLU 46 N 0.78 4.23 0.25 2.72 2.02 -0.51 -1.61 118.70 126.57 1aw0 s GLU 46 Ca 0.09 0.23 -0.11 0.00 0.02 0.00 0.00 54.97 55.20 1aw0 s GLU 46 Cb -0.13 -3.49 -0.01 0.00 0.10 0.00 0.00 34.13 30.60 1aw0 s GLU 46 CO 0.02 0.06 0.46 1.52 0.02 0.00 0.00 175.26 177.34 1aw0 s TYR 47 N 1.00 0.47 -0.34 1.61 1.13 -0.33 -0.78 117.35 120.11 1aw0 s TYR 47 Ca 0.20 -0.82 -0.09 0.00 -1.41 0.00 0.00 57.07 54.95 1aw0 s TYR 47 Cb -0.14 0.12 0.02 0.00 -1.10 0.00 0.00 41.96 40.86 1aw0 s TYR 47 CO 0.07 -0.99 0.16 0.34 -2.51 0.00 0.00 175.55 172.63 1aw0 s ASP 48 N -3.05 5.52 0.36 -0.18 2.15 -0.46 -1.27 116.67 119.75 1aw0 s ASP 48 Ca 0.24 -0.88 0.18 0.00 0.43 0.00 0.00 52.55 52.53 1aw0 s ASP 48 Cb -0.00 -1.97 1.22 0.00 -0.30 0.00 0.00 42.92 41.87 1aw0 s ASP 48 CO 0.10 -0.30 1.63 -0.65 -0.17 0.00 0.00 175.17 175.78 1aw0 h PRO 49 N 8.35 0.18 -0.50 4.34 0.11 -1.77 -0.86 132.00 141.85 1aw0 h PRO 49 Ca -0.27 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 1aw0 h PRO 49 Cb 1.11 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1aw0 h PRO 49 CO 0.63 0.12 0.19 -0.07 -0.21 0.00 0.00 178.00 178.66 1aw0 h LEU 50 N 0.18 0.65 0.00 2.35 3.38 -1.95 -3.29 115.31 116.63 1aw0 h LEU 50 Ca 0.79 -0.08 -0.38 0.00 0.09 0.00 0.00 57.88 58.30 1aw0 h LEU 50 Cb 1.97 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 42.49 1aw0 h LEU 50 CO -0.65 0.60 -2.41 0.18 0.09 0.00 0.00 178.44 176.24 1aw0 n LEU 51 N -4.34 0.83 -3.97 1.67 4.77 -0.49 -5.04 117.00 110.42 1aw0 n LEU 51 Ca 0.04 -0.04 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1aw0 n LEU 51 Cb 0.16 0.11 -0.06 0.00 -2.33 0.00 0.00 43.42 41.30 1aw0 n LEU 51 CO 0.38 0.62 0.13 0.28 -1.33 0.00 0.00 177.39 177.47 1aw0 s THR 52 N -2.50 0.02 0.09 -5.08 -1.32 -0.45 -4.72 115.64 101.68 1aw0 s THR 52 Ca -0.17 -1.37 0.02 0.00 -1.21 0.00 0.00 61.69 58.96 1aw0 s THR 52 Cb 0.07 -2.08 -0.04 0.00 -1.51 0.00 0.00 72.50 68.93 1aw0 s THR 52 CO 0.77 -0.07 -0.06 -0.94 -2.21 0.00 0.00 174.62 172.10 1aw0 s SER 53 N -3.00 1.09 0.32 8.08 1.04 -1.26 -3.68 113.70 116.28 1aw0 s SER 53 Ca 0.21 -0.98 0.09 0.00 0.48 0.00 0.00 55.95 55.74 1aw0 s SER 53 Cb 0.00 0.10 0.84 0.00 0.10 0.00 0.00 66.02 67.07 1aw0 s SER 53 CO 0.06 -0.46 1.75 -0.65 0.98 0.00 0.00 173.24 174.92 1aw0 h PRO 54 N 3.05 0.62 -0.47 4.02 0.11 -1.99 -1.04 132.00 136.31 1aw0 h PRO 54 Ca -0.35 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.59 1aw0 h PRO 54 Cb 1.17 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1aw0 h PRO 54 CO 0.64 0.41 -0.21 0.93 -0.21 0.00 0.00 178.00 179.56 1aw0 h GLU 55 N 0.64 0.96 -0.23 1.05 5.08 -1.98 -0.01 114.58 120.09 1aw0 h GLU 55 Ca 0.62 -0.40 -0.03 0.00 -1.00 0.00 0.00 59.36 58.56 1aw0 h GLU 55 Cb 1.12 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1aw0 h GLU 55 CO -0.44 1.07 0.03 1.15 -1.00 0.00 0.00 179.01 179.82 1aw0 h THR 56 N 0.83 1.23 -0.28 1.13 2.02 -1.68 -0.54 112.91 115.61 1aw0 h THR 56 Ca 0.11 -0.76 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 1aw0 h THR 56 Cb 0.77 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 1aw0 h THR 56 CO 0.06 0.24 0.13 -0.07 0.37 0.00 0.00 175.52 176.25 1aw0 h LEU 57 N 0.17 0.37 -0.58 2.58 3.38 -1.17 -0.21 115.31 119.85 1aw0 h LEU 57 Ca 0.07 -0.14 0.11 0.00 0.09 0.00 0.00 57.88 58.01 1aw0 h LEU 57 Cb 0.33 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 1aw0 h LEU 57 CO 0.00 0.40 0.11 -0.09 0.09 0.00 0.00 178.44 178.96 1aw0 h ARG 58 N 0.32 0.24 -0.62 1.13 2.43 -0.99 -1.06 114.38 115.82 1aw0 h ARG 58 Ca 0.10 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.31 1aw0 h ARG 58 Cb 0.13 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.58 1aw0 h ARG 58 CO -0.01 0.16 0.33 0.78 -1.51 0.00 0.00 179.97 179.71 1aw0 h GLY 59 N 0.24 0.90 0.95 2.80 0.00 -0.30 0.66 103.07 108.33 1aw0 h GLY 59 Ca 0.30 -0.22 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 1aw0 h GLY 59 CO -0.40 0.13 0.07 0.00 0.00 0.00 0.00 176.54 176.33 1aw0 h ALA 60 N 1.34 0.58 -0.61 3.60 0.00 -0.34 0.50 119.26 124.33 1aw0 h ALA 60 Ca 0.28 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1aw0 h ALA 60 Cb 0.20 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1aw0 h ALA 60 CO -0.19 0.30 0.10 0.82 0.00 0.00 0.00 179.25 180.28 1aw0 h ILE 61 N 0.58 1.25 -0.64 0.00 2.04 -0.97 -0.61 117.51 119.16 1aw0 h ILE 61 Ca 0.13 -0.98 -0.07 0.00 1.00 0.00 0.00 64.86 64.94 1aw0 h ILE 61 Cb 0.38 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1aw0 h ILE 61 CO 0.01 0.36 0.12 -0.08 0.00 0.00 0.00 178.15 178.57 1aw0 h GLU 62 N 0.93 1.04 -0.58 2.37 4.81 -0.65 -1.63 114.58 120.88 1aw0 h GLU 62 Ca 0.19 -0.27 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1aw0 h GLU 62 Cb 0.41 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1aw0 h GLU 62 CO 0.01 0.95 0.24 0.22 -0.73 0.00 0.00 179.01 179.70 1aw0 h ASP 63 N 0.96 0.79 -0.99 1.04 3.58 -0.58 -2.16 116.42 119.05 1aw0 h ASP 63 Ca 0.20 -0.16 0.09 0.00 0.42 0.00 0.00 57.03 57.57 1aw0 h ASP 63 Cb 0.40 -0.20 -0.07 0.00 1.72 0.00 0.00 39.33 41.18 1aw0 h ASP 63 CO 0.01 0.74 0.63 0.24 -2.88 0.00 0.00 179.24 177.98 1aw0 h MET 64 N 0.79 1.04 0.00 0.28 2.86 -0.92 -3.47 114.93 115.52 1aw0 h MET 64 Ca 0.19 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1aw0 h MET 64 Cb 0.19 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.61 1aw0 h MET 64 CO -0.02 0.69 0.00 0.41 1.06 0.00 0.00 176.91 179.05 1aw0 n GLY 65 N -1.37 0.49 3.05 8.32 0.00 -0.64 -5.10 105.19 109.94 1aw0 n GLY 65 Ca 0.17 -0.68 -0.08 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.12 0.37 -0.86 1.61 0.08 -1.07 -5.02 117.98 112.97 1aw0 s PHE 66 Ca 0.00 -0.77 -0.25 0.00 0.12 0.00 0.00 56.93 56.03 1aw0 s PHE 66 Cb 0.00 -0.28 0.02 0.00 -0.57 0.00 0.00 43.02 42.19 1aw0 s PHE 66 CO 0.00 -0.30 1.52 0.34 -0.10 0.00 0.00 175.22 176.68 1aw0 s ASP 67 N -2.20 6.04 -0.25 1.36 2.15 -0.72 -4.09 116.67 118.97 1aw0 s ASP 67 Ca -0.04 -0.80 -0.11 0.00 0.43 0.00 0.00 52.55 52.03 1aw0 s ASP 67 Cb -0.01 -2.56 -0.05 0.00 -0.30 0.00 0.00 42.92 40.00 1aw0 s ASP 67 CO -0.06 -1.91 0.18 0.00 -0.17 0.00 0.00 175.17 173.22 1aw0 s ALA 68 N 6.48 3.59 -0.01 3.66 0.00 -1.26 -1.75 121.76 132.47 1aw0 s ALA 68 Ca 0.49 -0.91 -0.03 0.00 0.00 0.00 0.00 51.96 51.51 1aw0 s ALA 68 Cb -0.05 -2.38 -0.00 0.00 0.00 0.00 0.00 23.12 20.69 1aw0 s ALA 68 CO 0.03 -0.27 0.06 0.95 0.00 0.00 0.00 175.76 176.52 1aw0 s THR 69 N 1.22 0.04 0.19 0.00 -4.23 -0.52 -4.97 115.64 107.36 1aw0 s THR 69 Ca 0.08 -0.31 -0.30 0.00 -1.18 0.00 0.00 61.69 59.98 1aw0 s THR 69 Cb -0.14 -0.19 -0.09 0.00 1.34 0.00 0.00 72.50 73.42 1aw0 s THR 69 CO 0.06 -0.17 1.35 -0.76 -0.54 0.00 0.00 174.62 174.56 1aw0 s LEU 70 N -0.52 4.40 0.12 4.79 2.01 -1.26 -0.31 118.68 127.91 1aw0 s LEU 70 Ca -0.06 2.43 -0.14 0.00 0.01 0.00 0.00 54.13 56.37 1aw0 s LEU 70 Cb -0.04 -3.61 -0.06 0.00 0.01 0.00 0.00 46.19 42.50 1aw0 s LEU 70 CO 0.00 -0.59 1.47 -1.28 1.01 0.00 0.00 176.35 176.96 1aw0 h SER 71 N 5.69 0.82 0.00 2.29 0.87 -1.56 -3.45 113.55 118.21 1aw0 h SER 71 Ca -0.44 -0.44 0.00 0.00 -1.23 0.00 0.00 61.79 59.68 1aw0 h SER 71 Cb 1.21 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.95 1aw0 h SER 71 CO 0.80 1.08 0.00 -0.67 -0.53 0.00 0.00 176.83 177.51