#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 -0.06 0.13 -5.08 -4.23 -1.26 -4.31 115.64 100.83 1aw0 s THR 2 Ca 0.00 0.28 -0.01 0.00 -1.18 0.00 0.00 61.69 60.79 1aw0 s THR 2 Cb 0.00 -0.27 -0.04 0.00 1.34 0.00 0.00 72.50 73.53 1aw0 s THR 2 CO 0.00 0.10 0.05 -1.10 -0.54 0.00 0.00 174.62 173.12 1aw0 s GLN 3 N 2.14 0.92 0.10 3.99 -1.52 -0.56 -4.97 119.66 119.77 1aw0 s GLN 3 Ca 0.04 -1.44 0.06 0.00 -1.95 0.00 0.00 55.36 52.08 1aw0 s GLN 3 Cb -0.13 0.20 -0.03 0.00 -0.22 0.00 0.00 33.01 32.83 1aw0 s GLN 3 CO -0.04 -0.24 -0.16 -1.21 -0.25 0.00 0.00 175.29 173.38 1aw0 s GLU 4 N -4.03 0.99 -0.01 2.91 2.02 -1.26 -1.09 118.70 118.22 1aw0 s GLU 4 Ca 0.23 -1.13 -0.08 0.00 0.02 0.00 0.00 54.97 54.01 1aw0 s GLU 4 Cb 0.07 -1.02 0.01 0.00 0.10 0.00 0.00 34.13 33.29 1aw0 s GLU 4 CO 0.01 0.22 0.17 -0.08 0.02 0.00 0.00 175.26 175.60 1aw0 s THR 5 N -1.57 0.07 -0.17 3.63 -1.32 -0.38 -5.01 115.64 110.89 1aw0 s THR 5 Ca 0.05 -0.57 -0.01 0.00 -1.21 0.00 0.00 61.69 59.95 1aw0 s THR 5 Cb -0.08 -0.44 0.00 0.00 -1.51 0.00 0.00 72.50 70.47 1aw0 s THR 5 CO 0.03 -0.32 -0.14 -0.69 -2.21 0.00 0.00 174.62 171.30 1aw0 s VAL 6 N -1.19 2.73 -0.11 5.08 1.01 -1.26 -1.00 120.40 125.65 1aw0 s VAL 6 Ca -0.13 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1aw0 s VAL 6 Cb -0.06 -2.17 -0.00 0.00 0.00 0.00 0.00 36.38 34.14 1aw0 s VAL 6 CO 0.02 0.50 -0.22 -0.63 0.00 0.00 0.00 175.10 174.77 1aw0 s ILE 7 N 1.02 2.22 -0.07 2.22 1.01 -0.46 -0.59 121.20 126.54 1aw0 s ILE 7 Ca -0.01 -0.95 -0.30 0.00 0.00 0.00 0.00 60.65 59.39 1aw0 s ILE 7 Cb -0.15 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 1aw0 s ILE 7 CO -0.03 0.55 1.47 0.20 0.00 0.00 0.00 174.94 177.14 1aw0 s ASN 8 N 0.45 6.79 -0.40 3.58 0.01 0.71 -0.81 114.94 125.28 1aw0 s ASN 8 Ca -0.15 2.05 0.02 0.00 -0.71 0.00 0.00 52.86 54.07 1aw0 s ASN 8 Cb -0.17 -2.54 0.12 0.00 0.41 0.00 0.00 41.25 39.06 1aw0 s ASN 8 CO 0.06 -0.82 0.16 -0.63 -1.51 0.00 0.00 177.10 174.36 1aw0 s ILE 9 N 3.42 1.72 0.10 0.60 1.01 -0.38 -1.37 121.20 126.30 1aw0 s ILE 9 Ca 0.65 -2.36 0.01 0.00 0.00 0.00 0.00 60.65 58.95 1aw0 s ILE 9 Cb -0.30 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 1aw0 s ILE 9 CO 0.24 -0.75 0.25 -1.81 0.00 0.00 0.00 174.94 172.87 1aw0 s ASP 10 N 0.69 6.36 0.00 3.58 1.01 -0.75 -3.94 116.67 123.62 1aw0 s ASP 10 Ca 0.14 0.25 0.00 0.00 0.71 0.00 0.00 52.55 53.65 1aw0 s ASP 10 Cb -0.22 -1.95 0.00 0.00 1.01 0.00 0.00 42.92 41.76 1aw0 s ASP 10 CO -0.08 0.12 0.00 0.61 0.21 0.00 0.00 175.17 176.03 1aw0 n GLY 11 N -0.02 0.72 0.42 0.21 0.00 -1.26 -1.25 105.19 104.02 1aw0 n GLY 11 Ca -0.06 -0.31 -0.16 0.00 0.00 0.00 0.00 46.02 45.49 1aw0 n GLY 11 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1aw0 h MET 12 N 1.07 -0.80 0.00 1.61 2.86 -1.95 -3.46 114.93 114.27 1aw0 h MET 12 Ca 0.00 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1aw0 h MET 12 Cb 0.00 0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.84 1aw0 h MET 12 CO 0.00 -0.53 0.00 2.41 1.06 0.00 0.00 176.91 179.85 1aw0 n THR 13 N -5.50 0.00 -4.35 2.22 -1.04 -1.26 -4.65 114.28 99.70 1aw0 n THR 13 Ca -0.11 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.62 1aw0 n THR 13 Cb 0.40 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.79 1aw0 n THR 13 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1aw0 h ASN 15 N 3.52 0.00 -0.36 0.00 -1.07 -2.00 -1.32 115.58 114.36 1aw0 h ASN 15 Ca -0.49 0.00 0.06 0.00 0.07 0.00 0.00 56.30 55.94 1aw0 h ASN 15 Cb 1.18 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.38 1aw0 h ASN 15 CO 0.46 0.00 0.04 0.28 0.07 0.00 0.00 177.43 178.28 1aw0 h SER 16 N 0.00 -0.05 -0.44 6.14 0.02 -1.96 -1.28 113.55 115.99 1aw0 h SER 16 Ca 0.06 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 1aw0 h SER 16 Cb 0.27 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1aw0 h SER 16 CO -0.00 0.01 0.15 0.00 -1.14 0.00 0.00 176.83 175.85 1aw0 h VAL 18 N 0.57 0.32 -0.67 0.00 2.07 -1.19 -0.64 116.25 116.71 1aw0 h VAL 18 Ca 0.14 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 1aw0 h VAL 18 Cb 0.24 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1aw0 h VAL 18 CO -0.01 0.00 0.37 -0.61 0.02 0.00 0.00 177.57 177.35 1aw0 h GLN 19 N -0.38 0.93 0.49 1.57 5.75 -1.08 -1.25 115.11 121.15 1aw0 h GLN 19 Ca 0.09 -0.11 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 1aw0 h GLN 19 Cb 0.53 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 28.89 1aw0 h GLN 19 CO -0.33 0.70 -0.27 0.77 -2.65 0.00 0.00 178.83 177.04 1aw0 h SER 20 N 0.92 -0.67 0.13 -0.69 0.02 -0.68 -0.29 113.55 112.30 1aw0 h SER 20 Ca 0.24 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.24 1aw0 h SER 20 Cb 0.03 0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.72 1aw0 h SER 20 CO -0.04 -0.44 -0.33 0.40 -1.14 0.00 0.00 176.83 175.28 1aw0 h ILE 21 N -0.72 0.30 0.07 3.27 2.04 -1.06 -1.24 117.51 120.17 1aw0 h ILE 21 Ca -0.06 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.82 1aw0 h ILE 21 Cb 0.57 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 1aw0 h ILE 21 CO 0.08 0.00 -0.28 -0.08 0.00 0.00 0.00 178.15 177.87 1aw0 h GLU 22 N -0.57 -0.44 0.36 2.37 4.81 -1.15 -1.03 114.58 118.93 1aw0 h GLU 22 Ca 0.03 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1aw0 h GLU 22 Cb 0.59 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1aw0 h GLU 22 CO -0.19 -0.30 -0.17 0.78 -0.73 0.00 0.00 179.01 178.40 1aw0 h GLY 23 N -0.46 -0.51 0.98 1.92 0.00 -0.97 -0.90 103.07 103.12 1aw0 h GLY 23 Ca 0.04 0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 1aw0 h GLY 23 CO -0.20 -0.18 -0.20 -2.08 0.00 0.00 0.00 176.54 173.88 1aw0 h VAL 24 N -0.49 0.59 -0.84 4.60 2.07 -1.14 -2.82 116.25 118.22 1aw0 h VAL 24 Ca -0.05 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1aw0 h VAL 24 Cb 0.38 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 1aw0 h VAL 24 CO 0.08 0.01 0.45 0.40 0.02 0.00 0.00 177.57 178.53 1aw0 h ILE 25 N -0.59 1.25 -0.96 4.57 1.08 -1.22 -1.67 117.51 119.97 1aw0 h ILE 25 Ca -0.06 -0.64 0.22 0.00 -0.39 0.00 0.00 64.86 63.99 1aw0 h ILE 25 Cb 0.45 0.13 -0.08 0.00 -3.07 0.00 0.00 36.82 34.25 1aw0 h ILE 25 CO 0.09 0.29 0.62 -1.28 -0.69 0.00 0.00 178.15 177.18 1aw0 h SER 26 N 1.18 0.49 0.61 1.72 0.87 -1.04 -1.76 113.55 115.62 1aw0 h SER 26 Ca 0.29 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 1aw0 h SER 26 Cb 0.05 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1aw0 h SER 26 CO -0.05 0.17 -0.50 0.29 -0.53 0.00 0.00 176.83 176.22 1aw0 n LYS 27 N -4.58 0.06 -2.41 2.24 5.02 -0.65 -4.69 118.16 113.15 1aw0 n LYS 27 Ca 0.21 0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 56.12 1aw0 n LYS 27 Cb 0.72 -1.54 -0.04 0.00 -0.02 0.00 0.00 35.03 34.15 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 4.58 0.20 1.97 1.02 -0.66 -4.96 119.74 118.86 1aw0 s LYS 28 Ca 0.10 1.87 -0.30 0.00 0.02 0.00 0.00 55.97 57.66 1aw0 s LYS 28 Cb 0.17 -3.18 -0.16 0.00 -0.52 0.00 0.00 37.83 34.14 1aw0 s LYS 28 CO 0.69 0.12 0.88 -2.30 -0.92 0.00 0.00 175.35 173.82 1aw0 n PRO 29 N 1.28 0.71 0.00 -1.68 -0.02 -1.26 -2.47 135.00 131.56 1aw0 n PRO 29 Ca -0.00 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1aw0 n PRO 29 Cb 0.44 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 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 1.71 2.66 3.74 -1.23 0.00 -1.26 -4.50 105.19 106.30 1aw0 n GLY 30 Ca 0.15 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.95 3.19 0.00 1.61 1.01 -1.03 -1.30 120.40 122.92 1aw0 s VAL 31 Ca 0.00 0.97 0.00 0.00 0.00 0.00 0.00 61.98 62.95 1aw0 s VAL 31 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.76 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 2.73 0.00 -3.06 2.72 5.02 -0.20 -4.86 118.16 120.51 1aw0 n LYS 32 Ca 0.07 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.05 1aw0 n LYS 32 Cb 0.43 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.39 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 -0.54 6.60 -0.14 4.39 1.04 -1.25 -4.91 113.70 118.88 1aw0 s SER 33 Ca 0.00 1.10 -0.13 0.00 0.48 0.00 0.00 55.95 57.40 1aw0 s SER 33 Cb 0.00 -2.31 0.04 0.00 0.10 0.00 0.00 66.02 63.85 1aw0 s SER 33 CO 0.00 -0.28 0.38 -0.51 0.98 0.00 0.00 173.24 173.81 1aw0 s ILE 34 N -2.16 0.00 -0.21 -1.02 2.07 -1.26 -1.08 121.20 117.54 1aw0 s ILE 34 Ca 0.51 -0.01 -0.01 0.00 -1.41 0.00 0.00 60.65 59.73 1aw0 s ILE 34 Cb -0.10 -0.54 0.06 0.00 0.13 0.00 0.00 42.46 42.00 1aw0 s ILE 34 CO 0.26 -0.01 -0.02 -0.13 -1.91 0.00 0.00 174.94 173.14 1aw0 s ARG 35 N 0.17 1.20 -0.25 3.50 0.52 -0.50 -5.02 118.95 118.58 1aw0 s ARG 35 Ca -0.00 -0.68 -0.09 0.00 -0.52 0.00 0.00 55.73 54.44 1aw0 s ARG 35 Cb -0.03 -2.29 -0.04 0.00 0.52 0.00 0.00 34.95 33.11 1aw0 s ARG 35 CO 0.01 -0.59 0.13 0.08 0.02 0.00 0.00 175.30 174.95 1aw0 s VAL 36 N 1.62 4.96 -0.17 3.52 1.01 -1.26 -1.22 120.40 128.85 1aw0 s VAL 36 Ca -0.03 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 1aw0 s VAL 36 Cb -0.18 -3.32 -0.00 0.00 0.00 0.00 0.00 36.38 32.89 1aw0 s VAL 36 CO -0.07 0.33 -0.13 -0.55 0.00 0.00 0.00 175.10 174.68 1aw0 s SER 37 N 1.33 3.77 0.01 3.32 0.15 -0.37 -4.99 113.70 116.91 1aw0 s SER 37 Ca 0.06 -0.47 -0.23 0.00 0.70 0.00 0.00 55.95 56.01 1aw0 s SER 37 Cb -0.15 -1.60 -0.18 0.00 -1.71 0.00 0.00 66.02 62.39 1aw0 s SER 37 CO 0.06 0.05 1.30 0.25 1.20 0.00 0.00 173.24 176.10 1aw0 h LEU 38 N 7.55 0.18 -0.59 3.45 5.85 -1.96 -0.23 115.31 129.55 1aw0 h LEU 38 Ca -0.36 -0.49 0.11 0.00 0.84 0.00 0.00 57.88 57.98 1aw0 h LEU 38 Cb 1.18 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 42.07 1aw0 h LEU 38 CO 0.59 0.63 0.14 0.00 -0.34 0.00 0.00 178.44 179.45 1aw0 h ALA 39 N 0.55 0.71 0.00 1.25 0.00 -1.96 -1.22 119.26 118.59 1aw0 h ALA 39 Ca 0.01 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1aw0 h ALA 39 Cb 0.58 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1aw0 h ALA 39 CO 0.02 -0.30 -0.71 -0.91 0.00 0.00 0.00 179.25 177.35 1aw0 h ASN 40 N 0.27 0.00 -5.96 0.00 4.21 -2.00 -3.48 115.58 108.62 1aw0 h ASN 40 Ca 0.31 -0.24 -0.38 0.00 1.21 0.00 0.00 56.30 57.20 1aw0 h ASN 40 Cb 0.45 0.00 0.10 0.00 -1.12 0.00 0.00 38.32 37.75 1aw0 h ASN 40 CO -0.39 0.12 -0.86 -1.20 -1.29 0.00 0.00 177.43 173.81 1aw0 n SER 41 N -2.10 -3.44 -3.73 5.81 7.64 -0.16 -4.93 113.62 112.71 1aw0 n SER 41 Ca 0.03 -0.84 -0.10 0.00 1.01 0.00 0.00 58.87 58.97 1aw0 n SER 41 Cb 0.44 -4.19 -0.04 0.00 -1.01 0.00 0.00 64.21 59.41 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 -3.93 -0.23 -0.15 6.43 2.20 -0.80 -1.25 114.94 117.21 1aw0 s ASN 42 Ca 0.22 -0.47 0.00 0.00 -0.94 0.00 0.00 52.86 51.67 1aw0 s ASN 42 Cb -0.06 0.54 0.02 0.00 -2.00 0.00 0.00 41.25 39.75 1aw0 s ASN 42 CO 0.80 -0.98 -0.14 -0.83 -2.94 0.00 0.00 177.10 173.02 1aw0 s GLY 43 N -2.86 1.13 -0.49 0.45 0.00 0.01 -1.24 107.32 104.32 1aw0 s GLY 43 Ca 0.08 -0.92 -0.16 0.00 0.00 0.00 0.00 44.72 43.72 1aw0 s GLY 43 CO -0.05 0.55 0.44 -1.59 0.00 0.00 0.00 173.10 172.45 1aw0 s THR 44 N 1.48 5.18 -0.15 0.90 2.01 -0.36 -1.35 115.64 123.35 1aw0 s THR 44 Ca 0.05 -1.04 -0.02 0.00 0.31 0.00 0.00 61.69 60.99 1aw0 s THR 44 Cb -0.13 -4.18 -0.01 0.00 0.01 0.00 0.00 72.50 68.19 1aw0 s THR 44 CO -0.11 -0.65 -0.10 -0.69 -0.69 0.00 0.00 174.62 172.39 1aw0 s VAL 45 N 1.78 3.25 -0.13 3.82 1.01 -0.17 -1.41 120.40 128.54 1aw0 s VAL 45 Ca 0.05 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.33 1aw0 s VAL 45 Cb -0.24 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 1aw0 s VAL 45 CO 0.07 0.50 0.27 -0.70 0.00 0.00 0.00 175.10 175.24 1aw0 s GLU 46 N 0.60 4.07 0.24 2.72 2.12 -0.24 -1.25 118.70 126.96 1aw0 s GLU 46 Ca -0.06 0.07 -0.11 0.00 0.36 0.00 0.00 54.97 55.23 1aw0 s GLU 46 Cb -0.15 -3.36 -0.01 0.00 0.26 0.00 0.00 34.13 30.87 1aw0 s GLU 46 CO 0.03 0.39 0.43 1.52 -0.54 0.00 0.00 175.26 177.10 1aw0 s TYR 47 N 0.00 0.45 -0.37 5.30 1.13 -0.25 -1.03 117.35 122.57 1aw0 s TYR 47 Ca 0.16 -0.79 -0.11 0.00 -1.41 0.00 0.00 57.07 54.92 1aw0 s TYR 47 Cb -0.13 0.10 0.02 0.00 -1.10 0.00 0.00 41.96 40.85 1aw0 s TYR 47 CO 0.05 -0.94 0.22 0.34 -2.51 0.00 0.00 175.55 172.70 1aw0 s ASP 48 N -3.03 5.78 0.39 -0.18 2.15 -0.42 -1.50 116.67 119.86 1aw0 s ASP 48 Ca 0.24 -0.93 0.22 0.00 0.43 0.00 0.00 52.55 52.52 1aw0 s ASP 48 Cb 0.00 -2.04 1.32 0.00 -0.30 0.00 0.00 42.92 41.90 1aw0 s ASP 48 CO 0.09 -0.37 1.61 -0.65 -0.17 0.00 0.00 175.17 175.68 1aw0 h PRO 49 N 8.46 0.10 -0.44 4.34 0.11 -1.78 -0.54 132.00 142.25 1aw0 h PRO 49 Ca -0.26 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 1aw0 h PRO 49 Cb 1.11 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1aw0 h PRO 49 CO 0.67 0.06 0.14 -0.07 -0.21 0.00 0.00 178.00 178.60 1aw0 h LEU 50 N 0.10 0.57 0.00 2.35 3.38 -1.94 -3.31 115.31 116.46 1aw0 h LEU 50 Ca 0.82 -0.07 -0.29 0.00 0.09 0.00 0.00 57.88 58.42 1aw0 h LEU 50 Cb 2.23 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 42.78 1aw0 h LEU 50 CO -0.62 0.55 -2.10 0.18 0.09 0.00 0.00 178.44 176.54 1aw0 n LEU 51 N -4.34 0.47 -4.04 1.67 4.77 -0.43 -5.06 117.00 110.04 1aw0 n LEU 51 Ca 0.03 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.86 1aw0 n LEU 51 Cb 0.17 0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 41.44 1aw0 n LEU 51 CO 0.38 0.46 0.19 0.28 -1.33 0.00 0.00 177.39 177.37 1aw0 s THR 52 N -2.39 0.00 0.14 -5.08 -1.32 -0.34 -4.76 115.64 101.89 1aw0 s THR 52 Ca -0.11 -1.49 -0.09 0.00 -1.21 0.00 0.00 61.69 58.79 1aw0 s THR 52 Cb 0.05 -2.59 -0.01 0.00 -1.51 0.00 0.00 72.50 68.45 1aw0 s THR 52 CO 0.62 0.00 0.25 -0.94 -2.21 0.00 0.00 174.62 172.34 1aw0 s SER 53 N -3.17 0.06 0.27 8.08 1.04 -1.26 -3.68 113.70 115.03 1aw0 s SER 53 Ca 0.27 -0.79 -0.00 0.00 0.48 0.00 0.00 55.95 55.91 1aw0 s SER 53 Cb -0.01 0.40 0.54 0.00 0.10 0.00 0.00 66.02 67.05 1aw0 s SER 53 CO 0.17 -0.84 1.78 -0.65 0.98 0.00 0.00 173.24 174.68 1aw0 h PRO 54 N 2.61 0.70 -0.55 4.02 0.11 -1.99 -0.93 132.00 135.97 1aw0 h PRO 54 Ca -0.33 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.65 1aw0 h PRO 54 Cb 1.22 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1aw0 h PRO 54 CO 0.51 0.46 -0.03 0.93 -0.21 0.00 0.00 178.00 179.66 1aw0 h GLU 55 N 0.72 0.99 -0.23 1.05 5.08 -1.98 -0.14 114.58 120.06 1aw0 h GLU 55 Ca 0.47 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1aw0 h GLU 55 Cb 0.61 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1aw0 h GLU 55 CO -0.33 1.00 0.11 1.15 -1.00 0.00 0.00 179.01 179.94 1aw0 h THR 56 N 0.87 1.15 -0.22 1.13 2.02 -1.78 -0.60 112.91 115.47 1aw0 h THR 56 Ca 0.15 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 1aw0 h THR 56 Cb 0.57 1.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1aw0 h THR 56 CO 0.03 0.15 0.11 -0.07 0.37 0.00 0.00 175.52 176.11 1aw0 h LEU 57 N 0.24 0.28 -0.50 2.58 3.38 -1.08 -0.06 115.31 120.14 1aw0 h LEU 57 Ca 0.08 -0.11 0.10 0.00 0.09 0.00 0.00 57.88 58.04 1aw0 h LEU 57 Cb 0.14 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.73 1aw0 h LEU 57 CO -0.01 0.31 0.00 -0.09 0.09 0.00 0.00 178.44 178.74 1aw0 h ARG 58 N 0.23 0.11 -0.58 1.13 2.43 -0.98 -0.98 114.38 115.74 1aw0 h ARG 58 Ca 0.08 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.29 1aw0 h ARG 58 Cb 0.10 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.57 1aw0 h ARG 58 CO -0.01 0.07 0.30 0.78 -1.51 0.00 0.00 179.97 179.61 1aw0 h GLY 59 N 0.12 0.83 0.89 2.80 0.00 -0.53 -0.03 103.07 107.15 1aw0 h GLY 59 Ca 0.25 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 1aw0 h GLY 59 CO -0.42 0.13 0.03 0.00 0.00 0.00 0.00 176.54 176.27 1aw0 h ALA 60 N 1.31 0.08 -0.74 3.60 0.00 -0.33 0.28 119.26 123.46 1aw0 h ALA 60 Ca 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1aw0 h ALA 60 Cb 0.17 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1aw0 h ALA 60 CO -0.17 -0.36 0.41 0.82 0.00 0.00 0.00 179.25 179.94 1aw0 h ILE 61 N -0.03 1.23 -0.64 0.00 2.04 -1.02 -0.70 117.51 118.38 1aw0 h ILE 61 Ca 0.02 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.31 1aw0 h ILE 61 Cb 0.12 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.41 1aw0 h ILE 61 CO -0.00 0.25 0.36 -0.08 0.00 0.00 0.00 178.15 178.68 1aw0 h GLU 62 N 1.03 0.89 -0.66 2.37 4.81 -0.86 -1.44 114.58 120.72 1aw0 h GLU 62 Ca 0.26 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1aw0 h GLU 62 Cb 0.04 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 1aw0 h GLU 62 CO -0.04 0.67 0.32 0.22 -0.73 0.00 0.00 179.01 179.44 1aw0 h ASP 63 N 0.88 0.87 -0.55 1.04 3.58 -0.42 -2.45 116.42 119.37 1aw0 h ASP 63 Ca 0.23 -0.13 0.03 0.00 0.42 0.00 0.00 57.03 57.57 1aw0 h ASP 63 Cb 0.03 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 40.82 1aw0 h ASP 63 CO -0.04 0.76 0.33 0.24 -2.88 0.00 0.00 179.24 177.65 1aw0 h MET 64 N 0.92 0.64 0.00 0.28 2.86 -0.90 -3.47 114.93 115.26 1aw0 h MET 64 Ca 0.23 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1aw0 h MET 64 Cb 0.12 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1aw0 h MET 64 CO -0.03 0.42 0.00 0.41 1.06 0.00 0.00 176.91 178.78 1aw0 n GLY 65 N -1.25 0.18 3.01 8.32 0.00 -0.56 -5.11 105.19 109.78 1aw0 n GLY 65 Ca 0.04 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 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 0.31 -0.93 1.61 0.08 -1.07 -4.99 117.98 112.99 1aw0 s PHE 66 Ca 0.00 -0.63 -0.24 0.00 0.12 0.00 0.00 56.93 56.18 1aw0 s PHE 66 Cb 0.00 -0.23 0.01 0.00 -0.57 0.00 0.00 43.02 42.24 1aw0 s PHE 66 CO 0.00 -0.24 1.63 -0.51 -0.10 0.00 0.00 175.22 176.00 1aw0 s ASP 67 N -1.79 5.93 -0.26 1.36 1.01 -0.38 -3.98 116.67 118.57 1aw0 s ASP 67 Ca -0.11 -0.99 -0.11 0.00 0.71 0.00 0.00 52.55 52.05 1aw0 s ASP 67 Cb -0.06 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 1aw0 s ASP 67 CO -0.03 -2.01 0.20 0.00 0.21 0.00 0.00 175.17 173.54 1aw0 s ALA 68 N 7.03 3.57 -0.13 5.23 0.00 -1.26 -1.81 121.76 134.40 1aw0 s ALA 68 Ca 0.54 -0.95 -0.08 0.00 0.00 0.00 0.00 51.96 51.48 1aw0 s ALA 68 Cb -0.04 -2.44 0.05 0.00 0.00 0.00 0.00 23.12 20.69 1aw0 s ALA 68 CO -0.03 -0.39 0.31 0.99 0.00 0.00 0.00 175.76 176.64 1aw0 s THR 69 N 1.46 -0.03 0.43 0.00 2.01 -0.47 -4.95 115.64 114.09 1aw0 s THR 69 Ca 0.09 0.09 -0.26 0.00 0.31 0.00 0.00 61.69 61.92 1aw0 s THR 69 Cb -0.15 -0.46 -0.09 0.00 0.01 0.00 0.00 72.50 71.81 1aw0 s THR 69 CO 0.08 0.04 1.44 -0.76 -0.69 0.00 0.00 174.62 174.73 1aw0 s LEU 70 N 1.02 4.17 -0.18 4.42 1.43 -1.26 -0.21 118.68 128.07 1aw0 s LEU 70 Ca -0.07 2.95 -0.13 0.00 -1.03 0.00 0.00 54.13 55.85 1aw0 s LEU 70 Cb -0.08 -3.86 -0.08 0.00 0.03 0.00 0.00 46.19 42.21 1aw0 s LEU 70 CO -0.07 -1.08 -0.29 -1.20 0.23 0.00 0.00 176.35 173.93 1aw0 n SER 71 N -0.00 1.68 0.00 2.29 7.64 0.24 -4.68 113.62 120.79 1aw0 n SER 71 Ca 0.04 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.20 1aw0 n SER 71 Cb 0.41 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 1aw0 n SER 71 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50