#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 0.02 0.27 1.96 -4.23 -1.26 -4.26 115.64 108.15 1aw0 s THR 2 Ca 0.00 0.24 0.03 0.00 -1.18 0.00 0.00 61.69 60.78 1aw0 s THR 2 Cb 0.00 -0.19 -0.06 0.00 1.34 0.00 0.00 72.50 73.60 1aw0 s THR 2 CO 0.00 0.14 0.03 -1.10 -0.54 0.00 0.00 174.62 173.16 1aw0 s GLN 3 N 1.45 1.48 0.04 3.99 -1.52 -0.30 -5.00 119.66 119.80 1aw0 s GLN 3 Ca -0.04 -1.79 0.07 0.00 -1.95 0.00 0.00 55.36 51.65 1aw0 s GLN 3 Cb -0.13 -0.69 -0.02 0.00 -0.22 0.00 0.00 33.01 31.95 1aw0 s GLN 3 CO -0.03 -0.16 -0.21 -2.00 -0.25 0.00 0.00 175.29 172.64 1aw0 s GLU 4 N -3.89 1.47 0.02 2.91 2.12 -1.26 -1.11 118.70 118.95 1aw0 s GLU 4 Ca 0.33 -0.93 0.01 0.00 0.36 0.00 0.00 54.97 54.75 1aw0 s GLU 4 Cb 0.07 -1.56 -0.02 0.00 0.26 0.00 0.00 34.13 32.88 1aw0 s GLU 4 CO 0.12 0.40 -0.05 -0.08 -0.54 0.00 0.00 175.26 175.12 1aw0 s THR 5 N -0.76 0.32 -0.18 -1.70 -1.32 -0.41 -5.01 115.64 106.58 1aw0 s THR 5 Ca 0.08 -0.72 -0.03 0.00 -1.21 0.00 0.00 61.69 59.81 1aw0 s THR 5 Cb -0.09 -0.38 -0.01 0.00 -1.51 0.00 0.00 72.50 70.51 1aw0 s THR 5 CO 0.01 -0.27 -0.07 -0.69 -2.21 0.00 0.00 174.62 171.39 1aw0 s VAL 6 N -0.98 3.38 -0.17 5.08 1.01 -1.26 -1.00 120.40 126.46 1aw0 s VAL 6 Ca -0.08 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1aw0 s VAL 6 Cb -0.07 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.84 1aw0 s VAL 6 CO -0.00 0.47 -0.20 -0.63 0.00 0.00 0.00 175.10 174.74 1aw0 s ILE 7 N 0.85 2.02 0.12 2.22 1.01 -0.49 -1.41 121.20 125.53 1aw0 s ILE 7 Ca -0.02 -0.93 -0.30 0.00 0.00 0.00 0.00 60.65 59.40 1aw0 s ILE 7 Cb -0.15 -1.82 -0.07 0.00 0.01 0.00 0.00 42.46 40.43 1aw0 s ILE 7 CO 0.01 0.54 1.24 0.20 0.00 0.00 0.00 174.94 176.93 1aw0 s ASN 8 N 1.20 7.02 -0.26 3.58 0.02 0.62 -0.65 114.94 126.48 1aw0 s ASN 8 Ca 0.02 2.18 0.00 0.00 -1.02 0.00 0.00 52.86 54.04 1aw0 s ASN 8 Cb -0.14 -2.59 0.07 0.00 0.02 0.00 0.00 41.25 38.62 1aw0 s ASN 8 CO -0.11 -0.47 0.01 -0.63 0.02 0.00 0.00 177.10 175.92 1aw0 s ILE 9 N 0.61 1.30 0.06 0.60 1.01 -0.44 -1.28 121.20 123.06 1aw0 s ILE 9 Ca 0.58 -1.29 -0.01 0.00 0.00 0.00 0.00 60.65 59.93 1aw0 s ILE 9 Cb -0.32 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 1aw0 s ILE 9 CO 0.33 -0.32 0.22 -0.62 0.00 0.00 0.00 174.94 174.55 1aw0 s ASP 10 N 1.47 6.37 0.00 3.58 2.15 -0.53 -4.19 116.67 125.53 1aw0 s ASP 10 Ca 0.01 0.31 0.00 0.00 0.43 0.00 0.00 52.55 53.30 1aw0 s ASP 10 Cb -0.18 -1.98 0.00 0.00 -0.30 0.00 0.00 42.92 40.46 1aw0 s ASP 10 CO -0.11 0.17 0.00 0.61 -0.17 0.00 0.00 175.17 175.67 1aw0 n GLY 11 N 0.34 0.81 2.51 2.66 0.00 -1.26 -1.16 105.19 109.09 1aw0 n GLY 11 Ca -0.05 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.34 3.42 -2.54 1.61 2.81 -1.26 -4.89 117.12 113.93 1aw0 n MET 12 Ca 0.00 -2.50 -0.41 0.00 -1.81 0.00 0.00 57.70 52.98 1aw0 n MET 12 Cb 0.00 -2.99 -0.02 0.00 -0.71 0.00 0.00 33.22 29.50 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 2.29 4.00 0.00 2.03 2.01 -1.26 -4.67 115.64 120.04 1aw0 s THR 13 Ca 0.58 -1.35 0.00 0.00 0.31 0.00 0.00 61.69 61.23 1aw0 s THR 13 Cb 0.16 -5.09 0.00 0.00 0.01 0.00 0.00 72.50 67.58 1aw0 s THR 13 CO -0.07 -1.93 0.00 0.00 -0.69 0.00 0.00 174.62 171.93 1aw0 h ASN 15 N 0.00 0.00 -0.82 0.00 -1.24 -2.01 -1.18 115.58 110.32 1aw0 h ASN 15 Ca 0.00 0.00 0.17 0.00 0.71 0.00 0.00 56.30 57.18 1aw0 h ASN 15 Cb 0.00 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 38.95 1aw0 h ASN 15 CO 0.00 0.00 0.36 0.28 -1.29 0.00 0.00 177.43 176.78 1aw0 h SER 16 N 0.00 0.35 0.71 1.15 0.02 -1.94 0.03 113.55 113.87 1aw0 h SER 16 Ca 0.24 0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 61.28 1aw0 h SER 16 Cb 0.98 0.08 0.01 0.00 0.14 0.00 0.00 62.40 63.61 1aw0 h SER 16 CO -0.00 0.10 -0.34 0.00 -1.14 0.00 0.00 176.83 175.45 1aw0 h VAL 18 N -0.99 0.42 0.24 0.00 2.07 -1.48 -0.61 116.25 115.91 1aw0 h VAL 18 Ca -0.10 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1aw0 h VAL 18 Cb 0.74 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1aw0 h VAL 18 CO 0.16 0.00 -0.12 -0.61 0.02 0.00 0.00 177.57 177.02 1aw0 h GLN 19 N -0.10 -0.32 -0.10 1.57 4.15 -0.97 -1.31 115.11 118.02 1aw0 h GLN 19 Ca 0.21 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.65 1aw0 h GLN 19 Cb 0.42 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.18 1aw0 h GLN 19 CO -0.50 -0.22 0.06 0.66 -1.93 0.00 0.00 178.83 176.90 1aw0 h SER 20 N -0.34 0.12 0.06 -0.69 4.64 -0.85 -0.98 113.55 115.51 1aw0 h SER 20 Ca -0.03 -0.06 0.03 0.00 -0.47 0.00 0.00 61.79 61.26 1aw0 h SER 20 Cb 0.26 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.28 1aw0 h SER 20 CO 0.05 0.14 -0.31 0.40 -0.87 0.00 0.00 176.83 176.24 1aw0 h ILE 21 N 0.08 0.32 0.07 0.95 2.04 -1.10 -1.10 117.51 118.78 1aw0 h ILE 21 Ca 0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.92 1aw0 h ILE 21 Cb 0.05 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.41 1aw0 h ILE 21 CO -0.01 0.00 -0.30 -0.08 0.00 0.00 0.00 178.15 177.77 1aw0 h GLU 22 N -0.50 -0.47 -0.19 2.37 4.81 -1.06 -0.81 114.58 118.73 1aw0 h GLU 22 Ca 0.05 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.35 1aw0 h GLU 22 Cb 0.56 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.00 1aw0 h GLU 22 CO -0.22 -0.32 -0.08 0.78 -0.73 0.00 0.00 179.01 178.44 1aw0 h GLY 23 N -0.49 0.10 0.79 1.92 0.00 -1.04 -0.85 103.07 103.50 1aw0 h GLY 23 Ca 0.04 0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 1aw0 h GLY 23 CO -0.20 -0.10 0.01 -2.08 0.00 0.00 0.00 176.54 174.16 1aw0 h VAL 24 N -0.05 1.18 -0.22 4.60 2.07 -1.04 -3.17 116.25 119.62 1aw0 h VAL 24 Ca 0.10 -0.53 -0.08 0.00 0.82 0.00 0.00 66.70 67.01 1aw0 h VAL 24 Cb 0.20 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1aw0 h VAL 24 CO -0.23 0.14 -0.21 0.40 0.02 0.00 0.00 177.57 177.70 1aw0 h ILE 25 N -0.18 1.24 -0.92 4.57 1.08 -1.03 -2.38 117.51 119.89 1aw0 h ILE 25 Ca 0.01 -1.11 0.26 0.00 -0.39 0.00 0.00 64.86 63.63 1aw0 h ILE 25 Cb 0.22 1.31 -0.04 0.00 -3.07 0.00 0.00 36.82 35.24 1aw0 h ILE 25 CO -0.00 0.35 0.65 0.28 -0.69 0.00 0.00 178.15 178.74 1aw0 h SER 26 N 0.35 0.07 0.17 1.72 0.02 -1.12 -1.55 113.55 113.21 1aw0 h SER 26 Ca 0.06 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1aw0 h SER 26 Cb 0.56 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1aw0 h SER 26 CO 0.04 0.02 -0.15 0.29 -1.14 0.00 0.00 176.83 175.89 1aw0 n LYS 27 N -4.31 1.07 -2.63 3.45 5.02 -0.89 -4.77 118.16 115.09 1aw0 n LYS 27 Ca 0.19 -0.58 -0.38 0.00 -2.02 0.00 0.00 58.31 55.52 1aw0 n LYS 27 Cb 0.95 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 34.42 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 -2.33 4.52 0.17 1.97 -0.14 -0.59 -4.98 119.74 118.36 1aw0 s LYS 28 Ca 0.30 1.53 -0.32 0.00 -1.36 0.00 0.00 55.97 56.12 1aw0 s LYS 28 Cb 0.20 -2.90 -0.16 0.00 -1.68 0.00 0.00 37.83 33.29 1aw0 s LYS 28 CO 0.45 0.18 1.06 -2.30 -0.76 0.00 0.00 175.35 173.98 1aw0 n PRO 29 N 0.69 0.95 0.00 -1.68 -0.02 -1.26 -2.27 135.00 131.41 1aw0 n PRO 29 Ca 0.01 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1aw0 n PRO 29 Cb 0.48 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 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 1.88 2.42 3.68 -1.23 0.00 -1.26 -4.25 105.19 106.44 1aw0 n GLY 30 Ca 0.15 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.03 3.24 0.00 1.61 1.01 -0.96 -1.51 120.40 122.76 1aw0 s VAL 31 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.60 1aw0 s VAL 31 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1aw0 s VAL 31 CO 0.00 -0.01 0.00 0.29 0.00 0.00 0.00 175.10 175.38 1aw0 n LYS 32 N 5.82 0.00 -3.06 2.72 5.02 -0.11 -4.86 118.16 123.70 1aw0 n LYS 32 Ca 0.16 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.18 1aw0 n LYS 32 Cb 0.41 0.00 -0.02 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 6.35 -0.16 4.39 1.04 -1.25 -4.92 113.70 118.15 1aw0 s SER 33 Ca 0.00 0.76 -0.08 0.00 0.48 0.00 0.00 55.95 57.11 1aw0 s SER 33 Cb 0.00 -2.17 0.06 0.00 0.10 0.00 0.00 66.02 64.02 1aw0 s SER 33 CO 0.00 -0.38 0.37 -0.51 0.98 0.00 0.00 173.24 173.70 1aw0 s ILE 34 N -2.41 -0.17 -0.31 -1.02 2.07 -1.26 -1.37 121.20 116.73 1aw0 s ILE 34 Ca 0.45 0.13 -0.00 0.00 -1.41 0.00 0.00 60.65 59.82 1aw0 s ILE 34 Cb -0.10 -0.56 0.07 0.00 0.13 0.00 0.00 42.46 42.00 1aw0 s ILE 34 CO 0.37 0.06 0.02 -0.13 -1.91 0.00 0.00 174.94 173.34 1aw0 s ARG 35 N 1.68 2.20 -0.23 3.50 1.81 -0.58 -4.99 118.95 122.34 1aw0 s ARG 35 Ca -0.07 -1.45 -0.14 0.00 -1.72 0.00 0.00 55.73 52.35 1aw0 s ARG 35 Cb -0.10 -3.19 -0.04 0.00 -0.45 0.00 0.00 34.95 31.17 1aw0 s ARG 35 CO -0.12 -0.72 0.31 0.08 -0.68 0.00 0.00 175.30 174.17 1aw0 s VAL 36 N 1.16 5.25 -0.17 3.52 1.01 -1.26 -1.26 120.40 128.65 1aw0 s VAL 36 Ca -0.02 0.49 -0.05 0.00 0.00 0.00 0.00 61.98 62.40 1aw0 s VAL 36 Cb -0.20 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 1aw0 s VAL 36 CO -0.03 0.27 0.01 -0.55 0.00 0.00 0.00 175.10 174.80 1aw0 s SER 37 N 1.14 5.14 -0.01 3.32 0.15 -0.29 -4.95 113.70 118.21 1aw0 s SER 37 Ca 0.14 -0.05 -0.24 0.00 0.70 0.00 0.00 55.95 56.50 1aw0 s SER 37 Cb -0.14 -1.86 -0.17 0.00 -1.71 0.00 0.00 66.02 62.13 1aw0 s SER 37 CO 0.07 0.16 1.18 0.25 1.20 0.00 0.00 173.24 176.11 1aw0 h LEU 38 N 6.76 -0.24 -0.47 3.45 5.85 -1.96 -1.49 115.31 127.20 1aw0 h LEU 38 Ca -0.34 -0.26 0.08 0.00 0.84 0.00 0.00 57.88 58.20 1aw0 h LEU 38 Cb 1.18 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.21 1aw0 h LEU 38 CO 0.66 0.17 0.10 0.00 -0.34 0.00 0.00 178.44 179.03 1aw0 h ALA 39 N -0.07 0.53 -0.00 1.25 0.00 -1.97 -1.70 119.26 117.30 1aw0 h ALA 39 Ca -0.03 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1aw0 h ALA 39 Cb 0.49 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1aw0 h ALA 39 CO 0.05 -0.30 -0.45 0.09 0.00 0.00 0.00 179.25 178.64 1aw0 n ASN 40 N -5.09 0.50 -3.63 0.00 3.02 -1.26 -4.98 115.26 103.81 1aw0 n ASN 40 Ca 0.05 -0.24 -0.25 0.00 -0.03 0.00 0.00 54.58 54.11 1aw0 n ASN 40 Cb 0.22 0.19 0.04 0.00 -0.61 0.00 0.00 39.78 39.62 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 -1.44 -3.86 -3.84 6.41 7.64 -0.59 -4.91 113.62 113.02 1aw0 n SER 41 Ca 0.06 -0.90 -0.08 0.00 1.01 0.00 0.00 58.87 58.96 1aw0 n SER 41 Cb 0.34 -3.89 -0.03 0.00 -1.01 0.00 0.00 64.21 59.62 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 -3.80 -0.24 -0.18 6.43 4.22 -1.04 -1.33 114.94 119.00 1aw0 s ASN 42 Ca 0.29 -0.62 0.01 0.00 -2.14 0.00 0.00 52.86 50.39 1aw0 s ASN 42 Cb -0.08 0.66 0.03 0.00 1.28 0.00 0.00 41.25 43.14 1aw0 s ASN 42 CO 0.83 -1.22 -0.12 -0.83 -2.04 0.00 0.00 177.10 173.72 1aw0 s GLY 43 N -2.92 1.20 -0.54 0.45 0.00 0.18 -1.14 107.32 104.54 1aw0 s GLY 43 Ca 0.13 -1.07 -0.16 0.00 0.00 0.00 0.00 44.72 43.61 1aw0 s GLY 43 CO 0.04 0.64 0.52 -1.59 0.00 0.00 0.00 173.10 172.71 1aw0 s THR 44 N 1.44 5.15 -0.20 0.90 2.01 -0.39 -1.39 115.64 123.16 1aw0 s THR 44 Ca 0.01 -1.37 -0.06 0.00 0.31 0.00 0.00 61.69 60.58 1aw0 s THR 44 Cb -0.15 -4.34 -0.03 0.00 0.01 0.00 0.00 72.50 67.99 1aw0 s THR 44 CO -0.09 -0.88 0.04 -0.69 -0.69 0.00 0.00 174.62 172.30 1aw0 s VAL 45 N 1.78 4.32 -0.18 3.82 1.01 -0.17 -1.53 120.40 129.46 1aw0 s VAL 45 Ca 0.05 -0.19 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 1aw0 s VAL 45 Cb -0.28 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 1aw0 s VAL 45 CO 0.04 0.42 0.33 -1.61 0.00 0.00 0.00 175.10 174.28 1aw0 s GLU 46 N 0.92 4.22 0.17 2.72 2.02 -0.47 -1.29 118.70 126.98 1aw0 s GLU 46 Ca 0.03 0.13 -0.12 0.00 0.02 0.00 0.00 54.97 55.02 1aw0 s GLU 46 Cb -0.14 -3.48 0.01 0.00 0.10 0.00 0.00 34.13 30.62 1aw0 s GLU 46 CO 0.02 0.12 0.35 1.52 0.02 0.00 0.00 175.26 177.30 1aw0 s TYR 47 N 0.83 0.19 -0.36 1.61 1.13 -0.27 -0.93 117.35 119.56 1aw0 s TYR 47 Ca 0.17 -0.55 -0.15 0.00 -1.41 0.00 0.00 57.07 55.14 1aw0 s TYR 47 Cb -0.14 0.09 -0.01 0.00 -1.10 0.00 0.00 41.96 40.81 1aw0 s TYR 47 CO 0.06 -0.76 0.32 0.34 -2.51 0.00 0.00 175.55 173.00 1aw0 s ASP 48 N -2.92 6.13 0.45 -0.18 -1.08 -0.57 -1.15 116.67 117.35 1aw0 s ASP 48 Ca 0.13 -0.41 0.26 0.00 -0.52 0.00 0.00 52.55 52.01 1aw0 s ASP 48 Cb 0.02 -2.18 1.29 0.00 -1.46 0.00 0.00 42.92 40.59 1aw0 s ASP 48 CO -0.02 -0.34 1.76 -0.65 0.52 0.00 0.00 175.17 176.44 1aw0 h PRO 49 N 8.52 0.22 -0.25 4.34 0.11 -1.74 -1.28 132.00 141.92 1aw0 h PRO 49 Ca -0.30 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.73 1aw0 h PRO 49 Cb 1.14 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1aw0 h PRO 49 CO 0.69 0.15 -0.17 -0.07 -0.21 0.00 0.00 178.00 178.39 1aw0 h LEU 50 N 0.23 0.42 0.00 2.35 3.38 -1.94 -3.31 115.31 116.44 1aw0 h LEU 50 Ca 0.62 -0.11 -0.38 0.00 0.09 0.00 0.00 57.88 58.09 1aw0 h LEU 50 Cb 1.90 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 42.47 1aw0 h LEU 50 CO -0.22 0.61 -2.42 0.18 0.09 0.00 0.00 178.44 176.67 1aw0 n LEU 51 N -4.19 1.58 -4.10 1.67 4.32 -0.66 -5.05 117.00 110.57 1aw0 n LEU 51 Ca 0.00 -0.06 -0.15 0.00 -0.02 0.00 0.00 56.01 55.78 1aw0 n LEU 51 Cb 0.34 -0.25 -0.04 0.00 -1.62 0.00 0.00 43.42 41.84 1aw0 n LEU 51 CO 0.40 0.73 0.12 0.28 -1.22 0.00 0.00 177.39 177.70 1aw0 s THR 52 N -2.51 0.00 0.10 -5.08 -1.32 -0.57 -4.76 115.64 101.49 1aw0 s THR 52 Ca -0.23 -1.63 -0.11 0.00 -1.21 0.00 0.00 61.69 58.51 1aw0 s THR 52 Cb 0.08 -2.62 0.01 0.00 -1.51 0.00 0.00 72.50 68.45 1aw0 s THR 52 CO 0.71 0.00 0.25 -0.94 -2.21 0.00 0.00 174.62 172.43 1aw0 s SER 53 N -3.25 0.02 0.30 8.08 1.04 -1.26 -3.80 113.70 114.82 1aw0 s SER 53 Ca 0.31 -0.55 0.05 0.00 0.48 0.00 0.00 55.95 56.24 1aw0 s SER 53 Cb -0.00 0.38 0.70 0.00 0.10 0.00 0.00 66.02 67.20 1aw0 s SER 53 CO 0.21 -0.76 1.77 -0.65 0.98 0.00 0.00 173.24 174.79 1aw0 h PRO 54 N 2.66 0.73 -0.52 4.02 0.11 -1.99 -0.51 132.00 136.50 1aw0 h PRO 54 Ca -0.34 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.63 1aw0 h PRO 54 Cb 1.21 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1aw0 h PRO 54 CO 0.53 0.48 -0.06 0.93 -0.21 0.00 0.00 178.00 179.68 1aw0 h GLU 55 N 0.75 0.95 -0.23 1.05 3.07 -1.98 -0.24 114.58 117.95 1aw0 h GLU 55 Ca 0.56 -0.33 -0.05 0.00 -0.50 0.00 0.00 59.36 59.03 1aw0 h GLU 55 Cb 0.85 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.68 1aw0 h GLU 55 CO -0.38 1.00 -0.06 1.15 -1.40 0.00 0.00 179.01 179.31 1aw0 h THR 56 N 0.82 1.29 -0.04 1.13 2.02 -1.73 -0.12 112.91 116.28 1aw0 h THR 56 Ca 0.14 -1.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.25 1aw0 h THR 56 Cb 0.60 1.52 -0.00 0.00 -1.74 0.00 0.00 68.15 68.53 1aw0 h THR 56 CO 0.04 0.33 0.03 -0.07 0.37 0.00 0.00 175.52 176.22 1aw0 h LEU 57 N 0.18 0.05 -0.56 2.58 3.38 -1.07 -0.07 115.31 119.80 1aw0 h LEU 57 Ca 0.06 -0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.09 1aw0 h LEU 57 Cb 0.53 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.18 1aw0 h LEU 57 CO 0.02 0.07 0.10 -0.09 0.09 0.00 0.00 178.44 178.64 1aw0 h ARG 58 N 0.02 0.22 -0.61 1.13 2.43 -1.05 -1.51 114.38 115.03 1aw0 h ARG 58 Ca 0.02 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.25 1aw0 h ARG 58 Cb 0.03 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.47 1aw0 h ARG 58 CO -0.00 0.15 0.27 0.78 -1.51 0.00 0.00 179.97 179.66 1aw0 h GLY 59 N 0.23 0.87 0.82 2.80 0.00 -0.29 0.78 103.07 108.28 1aw0 h GLY 59 Ca 0.29 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 1aw0 h GLY 59 CO -0.39 0.05 0.03 0.00 0.00 0.00 0.00 176.54 176.23 1aw0 h ALA 60 N 1.37 0.17 -0.76 3.60 0.00 -0.40 0.55 119.26 123.78 1aw0 h ALA 60 Ca 0.29 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1aw0 h ALA 60 Cb 0.29 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1aw0 h ALA 60 CO -0.25 -0.20 0.51 0.82 0.00 0.00 0.00 179.25 180.13 1aw0 h ILE 61 N 0.00 1.19 -0.70 0.00 2.04 -1.06 -0.85 117.51 118.13 1aw0 h ILE 61 Ca 0.04 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 1aw0 h ILE 61 Cb 0.26 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.38 1aw0 h ILE 61 CO 0.00 0.19 0.26 -0.08 0.00 0.00 0.00 178.15 178.52 1aw0 h GLU 62 N 1.03 1.07 -0.68 2.37 4.81 -0.71 -1.93 114.58 120.54 1aw0 h GLU 62 Ca 0.28 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1aw0 h GLU 62 Cb -0.11 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.07 1aw0 h GLU 62 CO -0.06 0.90 0.26 0.22 -0.73 0.00 0.00 179.01 179.59 1aw0 h ASP 63 N 1.02 0.95 -0.62 1.04 3.58 -0.37 -2.41 116.42 119.60 1aw0 h ASP 63 Ca 0.23 -0.18 0.04 0.00 0.42 0.00 0.00 57.03 57.54 1aw0 h ASP 63 Cb 0.24 -0.25 -0.05 0.00 1.72 0.00 0.00 39.33 41.00 1aw0 h ASP 63 CO -0.02 0.87 0.36 0.24 -2.88 0.00 0.00 179.24 177.82 1aw0 h MET 64 N 0.97 0.68 0.00 0.28 2.86 -0.93 -3.47 114.93 115.32 1aw0 h MET 64 Ca 0.23 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1aw0 h MET 64 Cb 0.22 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.73 1aw0 h MET 64 CO -0.02 0.45 0.00 0.41 1.06 0.00 0.00 176.91 178.81 1aw0 n GLY 65 N -1.27 0.20 3.01 8.32 0.00 -0.75 -5.11 105.19 109.59 1aw0 n GLY 65 Ca 0.07 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.12 1.61 0.08 -1.13 -5.02 117.98 112.71 1aw0 s PHE 66 Ca 0.00 -0.63 -0.21 0.00 0.12 0.00 0.00 56.93 56.20 1aw0 s PHE 66 Cb 0.00 -0.23 0.05 0.00 -0.57 0.00 0.00 43.02 42.28 1aw0 s PHE 66 CO 0.00 -0.24 1.57 -0.51 -0.10 0.00 0.00 175.22 175.94 1aw0 s ASP 67 N -1.81 6.59 -0.20 1.36 1.01 -0.31 -4.10 116.67 119.21 1aw0 s ASP 67 Ca -0.10 -1.81 -0.11 0.00 0.71 0.00 0.00 52.55 51.24 1aw0 s ASP 67 Cb -0.06 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 1aw0 s ASP 67 CO -0.03 -1.42 0.15 0.00 0.21 0.00 0.00 175.17 174.08 1aw0 s ALA 68 N 4.84 3.66 0.02 5.23 0.00 -1.26 -1.45 121.76 132.80 1aw0 s ALA 68 Ca 0.50 -0.70 -0.04 0.00 0.00 0.00 0.00 51.96 51.72 1aw0 s ALA 68 Cb 0.01 -2.23 -0.01 0.00 0.00 0.00 0.00 23.12 20.90 1aw0 s ALA 68 CO -0.03 0.08 0.05 0.95 0.00 0.00 0.00 175.76 176.81 1aw0 s THR 69 N 0.52 0.11 0.27 0.00 -4.23 -0.40 -4.95 115.64 106.95 1aw0 s THR 69 Ca 0.09 -0.90 -0.29 0.00 -1.18 0.00 0.00 61.69 59.41 1aw0 s THR 69 Cb -0.12 -0.48 -0.10 0.00 1.34 0.00 0.00 72.50 73.15 1aw0 s THR 69 CO -0.00 -0.49 1.27 -0.76 -0.54 0.00 0.00 174.62 174.10 1aw0 s LEU 70 N -1.60 4.45 -0.97 4.79 2.01 -1.26 -0.27 118.68 125.82 1aw0 s LEU 70 Ca -0.13 2.50 -0.06 0.00 0.01 0.00 0.00 54.13 56.45 1aw0 s LEU 70 Cb -0.07 -3.63 0.03 0.00 0.01 0.00 0.00 46.19 42.53 1aw0 s LEU 70 CO -0.01 -0.46 2.73 -0.24 1.01 0.00 0.00 176.35 179.38 1aw0 n SER 71 N 1.62 7.39 -0.22 2.29 2.88 -0.50 -4.70 113.62 122.38 1aw0 n SER 71 Ca 0.02 -3.00 0.15 0.00 -1.33 0.00 0.00 58.87 54.72 1aw0 n SER 71 Cb 0.43 -1.36 0.76 0.00 -0.75 0.00 0.00 64.21 63.28 1aw0 n SER 71 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91