#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 -0.05 0.13 -5.08 -4.23 -1.26 -4.34 115.64 100.80 1aw0 s THR 2 Ca 0.00 0.20 -0.05 0.00 -1.18 0.00 0.00 61.69 60.66 1aw0 s THR 2 Cb 0.00 -0.10 -0.02 0.00 1.34 0.00 0.00 72.50 73.72 1aw0 s THR 2 CO 0.00 0.08 0.14 -1.10 -0.54 0.00 0.00 174.62 173.20 1aw0 s GLN 3 N 1.00 0.98 0.17 3.99 -0.21 -0.46 -4.93 119.66 120.19 1aw0 s GLN 3 Ca -0.08 -1.28 0.09 0.00 0.02 0.00 0.00 55.36 54.11 1aw0 s GLN 3 Cb -0.12 0.30 -0.04 0.00 1.00 0.00 0.00 33.01 34.15 1aw0 s GLN 3 CO -0.03 -0.31 -0.20 -1.21 -2.12 0.00 0.00 175.29 171.43 1aw0 s GLU 4 N -3.99 1.31 -0.08 2.91 2.02 -1.26 -1.10 118.70 118.51 1aw0 s GLU 4 Ca 0.18 -1.42 -0.14 0.00 0.02 0.00 0.00 54.97 53.62 1aw0 s GLU 4 Cb 0.06 -1.44 0.03 0.00 0.10 0.00 0.00 34.13 32.88 1aw0 s GLU 4 CO -0.01 0.30 0.35 -0.08 0.02 0.00 0.00 175.26 175.84 1aw0 s THR 5 N -1.91 0.03 -0.28 3.63 -1.32 -0.37 -5.01 115.64 110.41 1aw0 s THR 5 Ca 0.16 -0.21 -0.06 0.00 -1.21 0.00 0.00 61.69 60.37 1aw0 s THR 5 Cb -0.06 -0.57 0.01 0.00 -1.51 0.00 0.00 72.50 70.36 1aw0 s THR 5 CO 0.07 -0.12 0.05 -0.69 -2.21 0.00 0.00 174.62 171.73 1aw0 s VAL 6 N -0.53 3.81 -0.25 5.08 1.01 -1.26 -1.26 120.40 127.01 1aw0 s VAL 6 Ca -0.06 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 1aw0 s VAL 6 Cb -0.04 -2.93 -0.00 0.00 0.00 0.00 0.00 36.38 33.41 1aw0 s VAL 6 CO 0.02 0.14 0.00 -0.63 0.00 0.00 0.00 175.10 174.64 1aw0 s ILE 7 N 1.49 3.61 -0.14 2.22 1.01 -0.35 -1.38 121.20 127.66 1aw0 s ILE 7 Ca 0.03 -0.56 -0.29 0.00 0.00 0.00 0.00 60.65 59.83 1aw0 s ILE 7 Cb -0.17 -2.73 -0.02 0.00 0.01 0.00 0.00 42.46 39.56 1aw0 s ILE 7 CO 0.01 0.30 1.21 0.20 0.00 0.00 0.00 174.94 176.66 1aw0 s ASN 8 N 1.49 7.01 -0.27 3.58 0.01 0.87 -0.52 114.94 127.11 1aw0 s ASN 8 Ca 0.04 1.69 0.01 0.00 -0.71 0.00 0.00 52.86 53.90 1aw0 s ASN 8 Cb -0.15 -2.55 0.06 0.00 0.41 0.00 0.00 41.25 39.02 1aw0 s ASN 8 CO -0.01 -0.68 -0.07 -0.63 -1.51 0.00 0.00 177.10 174.20 1aw0 s ILE 9 N 3.00 2.45 0.03 0.60 1.01 -0.40 -1.29 121.20 126.60 1aw0 s ILE 9 Ca 0.54 -1.54 -0.02 0.00 0.00 0.00 0.00 60.65 59.63 1aw0 s ILE 9 Cb -0.22 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 1aw0 s ILE 9 CO 0.16 -0.05 0.20 -0.62 0.00 0.00 0.00 174.94 174.64 1aw0 s ASP 10 N 1.16 6.37 0.00 3.58 2.15 -0.66 -4.28 116.67 124.99 1aw0 s ASP 10 Ca -0.08 0.32 0.00 0.00 0.43 0.00 0.00 52.55 53.23 1aw0 s ASP 10 Cb -0.20 -1.99 0.00 0.00 -0.30 0.00 0.00 42.92 40.43 1aw0 s ASP 10 CO -0.04 0.21 0.00 0.61 -0.17 0.00 0.00 175.17 175.79 1aw0 n GLY 11 N 0.61 0.69 3.57 2.66 0.00 -1.26 -1.40 105.19 110.05 1aw0 n GLY 11 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.98 2.69 -0.76 1.61 -1.94 -1.26 -4.91 119.30 113.75 1aw0 s MET 12 Ca 0.00 -0.67 -0.27 0.00 -1.71 0.00 0.00 55.69 53.04 1aw0 s MET 12 Cb 0.00 -5.16 0.03 0.00 2.01 0.00 0.00 34.83 31.71 1aw0 s MET 12 CO 0.00 -3.39 1.32 0.99 -0.01 0.00 0.00 175.02 173.94 1aw0 s THR 13 N 9.62 3.72 0.19 2.05 2.01 -1.26 -4.83 115.64 127.14 1aw0 s THR 13 Ca 0.67 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.95 1aw0 s THR 13 Cb -0.04 -4.89 0.00 0.00 0.01 0.00 0.00 72.50 67.58 1aw0 s THR 13 CO 0.02 -1.83 0.00 0.00 -0.69 0.00 0.00 174.62 172.13 1aw0 n ASN 15 N -2.87 2.83 0.05 0.00 4.13 -1.26 -2.59 115.26 115.55 1aw0 n ASN 15 Ca -0.02 -2.70 0.00 0.00 1.68 0.00 0.00 54.58 53.53 1aw0 n ASN 15 Cb 0.22 -1.34 0.00 0.00 -1.54 0.00 0.00 39.78 37.12 1aw0 n ASN 15 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1aw0 n SER 16 N 9.47 -0.85 0.00 6.41 7.64 -1.26 -4.74 113.62 130.30 1aw0 n SER 16 Ca 0.48 0.19 -0.11 0.00 1.01 0.00 0.00 58.87 60.44 1aw0 n SER 16 Cb 0.42 1.14 -0.06 0.00 -1.01 0.00 0.00 64.21 64.70 1aw0 n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aw0 h VAL 18 N 0.06 0.41 -0.13 0.00 2.07 -1.86 -1.06 116.25 115.73 1aw0 h VAL 18 Ca 0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1aw0 h VAL 18 Cb 0.04 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 1aw0 h VAL 18 CO -0.01 0.00 0.08 -0.61 0.02 0.00 0.00 177.57 177.06 1aw0 h GLN 19 N -0.11 0.18 -0.19 1.57 4.15 -1.81 -1.17 115.11 117.73 1aw0 h GLN 19 Ca 0.21 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.61 1aw0 h GLN 19 Cb 0.43 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 1aw0 h GLN 19 CO -0.50 0.13 0.10 0.66 -1.93 0.00 0.00 178.83 177.28 1aw0 h SER 20 N 0.17 0.25 0.52 -0.69 4.64 -0.80 -0.33 113.55 117.30 1aw0 h SER 20 Ca 0.05 -0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 61.24 1aw0 h SER 20 Cb -0.00 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 1aw0 h SER 20 CO -0.01 0.29 -0.48 0.40 -0.87 0.00 0.00 176.83 176.16 1aw0 h ILE 21 N 0.19 0.00 -0.44 0.95 2.04 -1.14 -1.56 117.51 117.55 1aw0 h ILE 21 Ca 0.07 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.01 1aw0 h ILE 21 Cb 0.11 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.12 1aw0 h ILE 21 CO -0.01 0.00 0.02 -0.08 0.00 0.00 0.00 178.15 178.08 1aw0 h GLU 22 N -0.99 0.13 0.35 2.37 4.81 -1.14 -0.66 114.58 119.45 1aw0 h GLU 22 Ca -0.07 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1aw0 h GLU 22 Cb 0.85 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.17 1aw0 h GLU 22 CO -0.04 0.09 -0.41 0.78 -0.73 0.00 0.00 179.01 178.69 1aw0 h GLY 23 N 0.14 -0.96 0.88 1.92 0.00 -0.98 -0.71 103.07 103.36 1aw0 h GLY 23 Ca 0.22 0.48 -0.01 0.00 0.00 0.00 0.00 47.33 48.02 1aw0 h GLY 23 CO -0.34 -0.32 -0.13 -2.08 0.00 0.00 0.00 176.54 173.67 1aw0 h VAL 24 N -0.80 0.76 -0.46 4.60 2.07 -0.93 -3.05 116.25 118.44 1aw0 h VAL 24 Ca -0.03 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.27 1aw0 h VAL 24 Cb 0.73 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 1aw0 h VAL 24 CO -0.10 0.05 0.27 0.40 0.02 0.00 0.00 177.57 178.21 1aw0 h ILE 25 N -0.50 1.05 -0.17 4.57 5.03 -1.15 -2.36 117.51 123.97 1aw0 h ILE 25 Ca -0.04 -0.19 0.05 0.00 -0.12 0.00 0.00 64.86 64.56 1aw0 h ILE 25 Cb 0.37 0.45 -0.01 0.00 -3.03 0.00 0.00 36.82 34.61 1aw0 h ILE 25 CO 0.06 0.10 0.15 0.77 -0.68 0.00 0.00 178.15 178.55 1aw0 h SER 26 N 0.55 0.00 0.30 1.72 4.64 -1.09 -1.80 113.55 117.86 1aw0 h SER 26 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1aw0 h SER 26 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1aw0 h SER 26 CO -0.08 0.00 -0.25 0.29 -0.87 0.00 0.00 176.83 175.92 1aw0 n LYS 27 N -4.10 0.71 -2.62 4.77 5.02 -0.89 -4.74 118.16 116.32 1aw0 n LYS 27 Ca 0.01 -0.39 -0.43 0.00 -2.02 0.00 0.00 58.31 55.49 1aw0 n LYS 27 Cb 0.28 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.77 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 -2.55 4.34 -0.28 1.97 1.02 -0.68 -4.97 119.74 118.60 1aw0 s LYS 28 Ca 0.24 1.45 -0.38 0.00 0.02 0.00 0.00 55.97 57.30 1aw0 s LYS 28 Cb 0.19 -3.60 -0.14 0.00 -0.52 0.00 0.00 37.83 33.77 1aw0 s LYS 28 CO 0.53 -0.47 1.91 -2.30 -0.92 0.00 0.00 175.35 174.09 1aw0 n PRO 29 N 5.60 1.27 0.00 -1.68 -0.02 -1.26 -2.57 135.00 136.33 1aw0 n PRO 29 Ca 0.11 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 1aw0 n PRO 29 Cb 0.47 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 5.00 4.20 3.72 -1.23 0.00 -1.26 -4.54 105.19 111.08 1aw0 n GLY 30 Ca 0.31 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 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 0.00 3.53 0.00 1.61 1.01 -1.06 -1.16 120.40 124.33 1aw0 s VAL 31 Ca 0.00 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.09 1aw0 s VAL 31 Cb 0.00 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1aw0 s VAL 31 CO 0.00 0.09 0.00 0.29 0.00 0.00 0.00 175.10 175.48 1aw0 n LYS 32 N 3.82 0.00 -3.08 2.72 5.02 -0.03 -4.95 118.16 121.66 1aw0 n LYS 32 Ca 0.10 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.11 1aw0 n LYS 32 Cb 0.44 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.43 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 6.39 -0.07 4.39 1.04 -1.24 -4.96 113.70 118.25 1aw0 s SER 33 Ca 0.00 0.80 -0.15 0.00 0.48 0.00 0.00 55.95 57.08 1aw0 s SER 33 Cb 0.00 -2.19 0.03 0.00 0.10 0.00 0.00 66.02 63.97 1aw0 s SER 33 CO 0.00 -0.34 0.36 -0.51 0.98 0.00 0.00 173.24 173.73 1aw0 s ILE 34 N -2.33 0.03 -0.25 -1.02 2.07 -1.26 -1.15 121.20 117.28 1aw0 s ILE 34 Ca 0.46 -0.24 -0.02 0.00 -1.41 0.00 0.00 60.65 59.44 1aw0 s ILE 34 Cb -0.10 -0.60 0.08 0.00 0.13 0.00 0.00 42.46 41.97 1aw0 s ILE 34 CO 0.35 -0.13 0.07 -0.60 -1.91 0.00 0.00 174.94 172.72 1aw0 s ARG 35 N -0.64 0.65 -0.70 3.50 3.52 -0.43 -5.02 118.95 119.82 1aw0 s ARG 35 Ca -0.07 -0.70 -0.21 0.00 -0.13 0.00 0.00 55.73 54.61 1aw0 s ARG 35 Cb -0.04 -1.96 0.09 0.00 -1.56 0.00 0.00 34.95 31.48 1aw0 s ARG 35 CO 0.03 -0.82 0.94 0.08 -0.81 0.00 0.00 175.30 174.72 1aw0 s VAL 36 N 1.78 4.52 -0.21 7.11 1.01 -1.26 -1.04 120.40 132.31 1aw0 s VAL 36 Ca 0.04 -0.76 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 1aw0 s VAL 36 Cb -0.17 -4.66 -0.03 0.00 0.00 0.00 0.00 36.38 31.52 1aw0 s VAL 36 CO -0.18 -1.40 0.61 -0.55 0.00 0.00 0.00 175.10 173.58 1aw0 s SER 37 N 3.65 6.64 -0.02 3.32 0.15 -0.05 -4.96 113.70 122.44 1aw0 s SER 37 Ca 0.22 0.78 -0.25 0.00 0.70 0.00 0.00 55.95 57.40 1aw0 s SER 37 Cb -0.16 -2.34 -0.20 0.00 -1.71 0.00 0.00 66.02 61.62 1aw0 s SER 37 CO 0.05 -0.27 1.23 0.25 1.20 0.00 0.00 173.24 175.70 1aw0 h LEU 38 N 8.25 0.07 -0.55 3.45 5.85 -1.96 -0.58 115.31 129.84 1aw0 h LEU 38 Ca -0.31 -0.54 0.08 0.00 0.84 0.00 0.00 57.88 57.95 1aw0 h LEU 38 Cb 1.14 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.09 1aw0 h LEU 38 CO 0.77 0.59 0.20 0.00 -0.34 0.00 0.00 178.44 179.66 1aw0 h ALA 39 N 0.48 0.69 -0.00 1.25 0.00 -1.97 -0.98 119.26 118.73 1aw0 h ALA 39 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1aw0 h ALA 39 Cb 0.58 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1aw0 h ALA 39 CO 0.01 -0.20 -0.31 0.09 0.00 0.00 0.00 179.25 178.84 1aw0 n ASN 40 N -5.00 0.76 -3.68 0.00 3.02 -1.25 -4.98 115.26 104.13 1aw0 n ASN 40 Ca 0.07 -0.60 -0.24 0.00 -0.03 0.00 0.00 54.58 53.77 1aw0 n ASN 40 Cb 0.23 0.13 0.03 0.00 -0.61 0.00 0.00 39.78 39.56 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 -0.99 -2.95 -3.60 6.41 7.64 -0.32 -4.92 113.62 114.89 1aw0 n SER 41 Ca 0.10 -0.90 -0.16 0.00 1.01 0.00 0.00 58.87 58.92 1aw0 n SER 41 Cb 0.34 -3.83 -0.07 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 -0.50 -0.45 6.43 2.20 -0.63 -1.27 114.94 116.75 1aw0 s ASN 42 Ca 0.20 0.50 -0.19 0.00 -0.94 0.00 0.00 52.86 52.44 1aw0 s ASN 42 Cb -0.06 0.46 0.03 0.00 -2.00 0.00 0.00 41.25 39.69 1aw0 s ASN 42 CO 0.83 -0.56 0.55 -0.83 -2.94 0.00 0.00 177.10 174.15 1aw0 s GLY 43 N -1.25 1.81 -0.68 0.45 0.00 0.33 -0.87 107.32 107.12 1aw0 s GLY 43 Ca -0.12 -1.50 -0.16 0.00 0.00 0.00 0.00 44.72 42.94 1aw0 s GLY 43 CO 0.08 1.35 0.66 -1.59 0.00 0.00 0.00 173.10 173.60 1aw0 s THR 44 N 2.45 5.29 -0.12 0.90 2.01 -0.21 -1.22 115.64 124.75 1aw0 s THR 44 Ca 0.16 -1.80 -0.02 0.00 0.31 0.00 0.00 61.69 60.33 1aw0 s THR 44 Cb -0.17 -4.43 -0.03 0.00 0.01 0.00 0.00 72.50 67.88 1aw0 s THR 44 CO 0.15 -1.00 -0.03 -0.69 -0.69 0.00 0.00 174.62 172.35 1aw0 s VAL 45 N 1.26 3.96 -0.15 3.82 1.01 -0.39 -1.32 120.40 128.58 1aw0 s VAL 45 Ca 0.11 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 61.68 1aw0 s VAL 45 Cb -0.20 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 1aw0 s VAL 45 CO -0.02 0.54 0.03 -0.70 0.00 0.00 0.00 175.10 174.95 1aw0 s GLU 46 N -0.15 3.67 0.25 2.72 2.12 -0.30 -1.24 118.70 125.78 1aw0 s GLU 46 Ca 0.03 -0.38 -0.11 0.00 0.36 0.00 0.00 54.97 54.87 1aw0 s GLU 46 Cb -0.13 -3.06 -0.01 0.00 0.26 0.00 0.00 34.13 31.19 1aw0 s GLU 46 CO 0.02 0.39 0.45 1.52 -0.54 0.00 0.00 175.26 177.10 1aw0 s TYR 47 N 0.01 0.51 -0.37 5.30 1.13 -0.26 -0.85 117.35 122.81 1aw0 s TYR 47 Ca 0.04 -0.85 -0.12 0.00 -1.41 0.00 0.00 57.07 54.74 1aw0 s TYR 47 Cb -0.12 0.10 0.02 0.00 -1.10 0.00 0.00 41.96 40.85 1aw0 s TYR 47 CO 0.01 -0.98 0.23 0.34 -2.51 0.00 0.00 175.55 172.64 1aw0 s ASP 48 N -3.05 5.84 0.36 -0.18 2.15 -0.30 -1.35 116.67 120.13 1aw0 s ASP 48 Ca 0.25 -0.85 0.19 0.00 0.43 0.00 0.00 52.55 52.57 1aw0 s ASP 48 Cb 0.00 -2.07 1.25 0.00 -0.30 0.00 0.00 42.92 41.80 1aw0 s ASP 48 CO 0.10 -0.36 1.61 -0.65 -0.17 0.00 0.00 175.17 175.70 1aw0 h PRO 49 N 8.48 0.12 -0.30 4.34 0.11 -1.75 -0.71 132.00 142.28 1aw0 h PRO 49 Ca -0.27 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 1aw0 h PRO 49 Cb 1.12 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1aw0 h PRO 49 CO 0.67 0.08 0.09 -0.07 -0.21 0.00 0.00 178.00 178.56 1aw0 h LEU 50 N 0.12 0.38 0.00 2.35 3.38 -1.94 -3.30 115.31 116.30 1aw0 h LEU 50 Ca 0.81 -0.04 -0.33 0.00 0.09 0.00 0.00 57.88 58.41 1aw0 h LEU 50 Cb 2.03 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 42.63 1aw0 h LEU 50 CO -0.71 0.38 -2.25 0.18 0.09 0.00 0.00 178.44 176.12 1aw0 n LEU 51 N -4.39 2.43 -4.09 1.67 4.77 -0.44 -5.06 117.00 111.88 1aw0 n LEU 51 Ca 0.01 -0.10 -0.13 0.00 -0.03 0.00 0.00 56.01 55.77 1aw0 n LEU 51 Cb 0.15 -0.55 -0.06 0.00 -2.33 0.00 0.00 43.42 40.63 1aw0 n LEU 51 CO 0.37 0.79 0.06 0.28 -1.33 0.00 0.00 177.39 177.56 1aw0 s THR 52 N -2.44 0.00 0.15 -5.08 -1.32 -0.41 -4.85 115.64 101.69 1aw0 s THR 52 Ca -0.26 -1.64 -0.12 0.00 -1.21 0.00 0.00 61.69 58.46 1aw0 s THR 52 Cb 0.07 -2.47 0.01 0.00 -1.51 0.00 0.00 72.50 68.60 1aw0 s THR 52 CO 0.55 0.00 0.33 -0.94 -2.21 0.00 0.00 174.62 172.35 1aw0 s SER 53 N -3.16 -0.05 0.25 8.08 1.04 -1.26 -3.56 113.70 115.04 1aw0 s SER 53 Ca 0.30 -0.63 -0.04 0.00 0.48 0.00 0.00 55.95 56.06 1aw0 s SER 53 Cb 0.01 0.45 0.45 0.00 0.10 0.00 0.00 66.02 67.03 1aw0 s SER 53 CO 0.16 -0.88 1.76 -0.65 0.98 0.00 0.00 173.24 174.60 1aw0 h PRO 54 N 2.49 0.54 -0.50 4.02 0.11 -1.98 -0.91 132.00 135.76 1aw0 h PRO 54 Ca -0.32 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.70 1aw0 h PRO 54 Cb 1.23 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1aw0 h PRO 54 CO 0.48 0.36 0.07 1.05 -0.21 0.00 0.00 178.00 179.75 1aw0 h GLU 55 N 0.56 0.79 -0.17 1.05 4.11 -1.98 -0.02 114.58 118.92 1aw0 h GLU 55 Ca 0.42 -0.18 -0.05 0.00 0.07 0.00 0.00 59.36 59.62 1aw0 h GLU 55 Cb 0.57 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1aw0 h GLU 55 CO -0.35 0.75 -0.09 1.15 0.07 0.00 0.00 179.01 180.54 1aw0 h THR 56 N 0.76 1.32 -0.30 -1.06 2.02 -1.66 -0.56 112.91 113.42 1aw0 h THR 56 Ca 0.16 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.18 1aw0 h THR 56 Cb 0.35 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 1aw0 h THR 56 CO 0.01 0.34 0.18 -0.07 0.37 0.00 0.00 175.52 176.35 1aw0 h LEU 57 N 0.03 0.36 -0.66 2.58 3.38 -1.09 -0.02 115.31 119.90 1aw0 h LEU 57 Ca 0.04 -0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.04 1aw0 h LEU 57 Cb 0.58 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 1aw0 h LEU 57 CO 0.03 0.31 0.31 -0.09 0.09 0.00 0.00 178.44 179.09 1aw0 h ARG 58 N 0.38 0.52 -0.61 1.13 2.43 -1.00 -1.29 114.38 115.94 1aw0 h ARG 58 Ca 0.11 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.30 1aw0 h ARG 58 Cb 0.02 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.40 1aw0 h ARG 58 CO -0.02 0.34 0.33 0.78 -1.51 0.00 0.00 179.97 179.89 1aw0 h GLY 59 N 0.53 0.87 0.86 2.80 0.00 -0.34 0.44 103.07 108.24 1aw0 h GLY 59 Ca 0.33 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 1aw0 h GLY 59 CO -0.27 0.15 0.02 0.00 0.00 0.00 0.00 176.54 176.44 1aw0 h ALA 60 N 1.31 0.07 -0.84 3.60 0.00 -0.32 -0.03 119.26 123.05 1aw0 h ALA 60 Ca 0.27 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1aw0 h ALA 60 Cb 0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1aw0 h ALA 60 CO -0.16 -0.35 0.44 0.82 0.00 0.00 0.00 179.25 179.99 1aw0 h ILE 61 N -0.06 1.25 -0.14 0.00 2.04 -1.12 -0.45 117.51 119.03 1aw0 h ILE 61 Ca 0.02 -0.65 -0.00 0.00 1.00 0.00 0.00 64.86 65.22 1aw0 h ILE 61 Cb 0.16 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 1aw0 h ILE 61 CO -0.00 0.29 0.08 -0.08 0.00 0.00 0.00 178.15 178.43 1aw0 h GLU 62 N 1.18 0.19 -0.94 2.37 4.22 -0.72 -2.65 114.58 118.22 1aw0 h GLU 62 Ca 0.29 -0.02 0.02 0.00 0.08 0.00 0.00 59.36 59.74 1aw0 h GLU 62 Cb 0.06 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 1aw0 h GLU 62 CO -0.04 0.20 0.62 0.22 -2.18 0.00 0.00 179.01 177.83 1aw0 h ASP 63 N 0.13 1.05 0.10 1.04 3.58 -0.60 0.01 116.42 121.72 1aw0 h ASP 63 Ca 0.05 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1aw0 h ASP 63 Cb 0.06 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.86 1aw0 h ASP 63 CO -0.01 0.74 0.00 0.24 -2.88 0.00 0.00 179.24 177.33 1aw0 h MET 64 N 1.23 0.00 0.00 0.28 2.86 -0.88 -3.46 114.93 114.96 1aw0 h MET 64 Ca 0.36 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.00 1aw0 h MET 64 Cb -0.07 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.59 1aw0 h MET 64 CO -0.10 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.28 1aw0 n GLY 65 N -0.99 0.66 3.06 8.32 0.00 -0.01 -5.08 105.19 111.15 1aw0 n GLY 65 Ca -0.03 -0.29 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.21 0.39 -1.07 1.61 0.08 -1.12 -5.01 117.98 111.65 1aw0 s PHE 66 Ca 0.00 -0.83 -0.20 0.00 0.12 0.00 0.00 56.93 56.02 1aw0 s PHE 66 Cb 0.00 -0.29 0.08 0.00 -0.57 0.00 0.00 43.02 42.24 1aw0 s PHE 66 CO 0.00 -0.32 1.44 -0.51 -0.10 0.00 0.00 175.22 175.73 1aw0 s ASP 67 N -2.36 6.65 -0.24 1.36 1.01 -0.50 -4.15 116.67 118.45 1aw0 s ASP 67 Ca -0.02 -1.91 -0.11 0.00 0.71 0.00 0.00 52.55 51.22 1aw0 s ASP 67 Cb 0.01 -2.52 -0.05 0.00 1.01 0.00 0.00 42.92 41.37 1aw0 s ASP 67 CO -0.07 -1.28 0.19 0.00 0.21 0.00 0.00 175.17 174.23 1aw0 s ALA 68 N 4.04 3.60 0.00 5.23 0.00 -1.26 -1.65 121.76 131.72 1aw0 s ALA 68 Ca 0.44 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1aw0 s ALA 68 Cb -0.00 -2.38 -0.00 0.00 0.00 0.00 0.00 23.12 20.74 1aw0 s ALA 68 CO -0.05 -0.23 -0.00 0.95 0.00 0.00 0.00 175.76 176.42 1aw0 s THR 69 N 1.14 0.00 0.23 0.00 -4.23 -0.41 -4.94 115.64 107.43 1aw0 s THR 69 Ca 0.09 -0.02 -0.30 0.00 -1.18 0.00 0.00 61.69 60.28 1aw0 s THR 69 Cb -0.14 -0.02 -0.09 0.00 1.34 0.00 0.00 72.50 73.59 1aw0 s THR 69 CO 0.05 -0.01 1.37 -0.76 -0.54 0.00 0.00 174.62 174.73 1aw0 s LEU 70 N -0.03 4.41 -1.44 4.79 1.43 -1.26 -0.09 118.68 126.49 1aw0 s LEU 70 Ca -0.00 2.54 -0.14 0.00 -1.03 0.00 0.00 54.13 55.50 1aw0 s LEU 70 Cb -0.00 -3.62 0.05 0.00 0.03 0.00 0.00 46.19 42.65 1aw0 s LEU 70 CO -0.00 -0.60 2.18 -0.24 0.23 0.00 0.00 176.35 177.92 1aw0 n SER 71 N 2.36 4.02 0.00 2.29 2.88 -0.48 -4.77 113.62 119.92 1aw0 n SER 71 Ca 0.06 -2.87 0.00 0.00 -1.33 0.00 0.00 58.87 54.73 1aw0 n SER 71 Cb 0.42 -1.64 0.00 0.00 -0.75 0.00 0.00 64.21 62.23 1aw0 n SER 71 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28