#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 0.91 0.48 -5.08 -4.23 -1.26 -4.30 115.64 102.16 1aw0 s THR 2 Ca 0.00 -2.64 0.08 0.00 -1.18 0.00 0.00 61.69 57.94 1aw0 s THR 2 Cb 0.00 -1.63 0.02 0.00 1.34 0.00 0.00 72.50 72.23 1aw0 s THR 2 CO 0.00 -1.07 0.50 -1.10 -0.54 0.00 0.00 174.62 172.42 1aw0 s GLN 3 N 0.15 2.46 0.01 3.99 -1.52 -0.28 -4.94 119.66 119.53 1aw0 s GLN 3 Ca 0.25 -1.63 -0.00 0.00 -1.95 0.00 0.00 55.36 52.02 1aw0 s GLN 3 Cb -0.10 -2.43 -0.01 0.00 -0.22 0.00 0.00 33.01 30.25 1aw0 s GLN 3 CO -0.10 -0.45 -0.01 -2.00 -0.25 0.00 0.00 175.29 172.48 1aw0 s GLU 4 N -4.32 0.20 -0.01 2.91 2.12 -1.26 -0.87 118.70 117.47 1aw0 s GLU 4 Ca 0.49 -0.35 0.01 0.00 0.36 0.00 0.00 54.97 55.47 1aw0 s GLU 4 Cb -0.04 0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.42 1aw0 s GLU 4 CO 0.29 -0.03 -0.03 -0.08 -0.54 0.00 0.00 175.26 174.87 1aw0 s THR 5 N -0.87 0.27 -0.42 -1.70 -1.32 -0.54 -5.00 115.64 106.06 1aw0 s THR 5 Ca -0.10 -0.10 -0.15 0.00 -1.21 0.00 0.00 61.69 60.13 1aw0 s THR 5 Cb -0.06 -0.27 0.03 0.00 -1.51 0.00 0.00 72.50 70.69 1aw0 s THR 5 CO -0.01 0.10 0.32 -0.69 -2.21 0.00 0.00 174.62 172.14 1aw0 s VAL 6 N 0.20 5.25 -0.28 5.08 1.01 -1.26 -1.38 120.40 129.02 1aw0 s VAL 6 Ca -0.02 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.13 1aw0 s VAL 6 Cb -0.05 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 1aw0 s VAL 6 CO -0.00 -0.37 0.20 -0.63 0.00 0.00 0.00 175.10 174.30 1aw0 s ILE 7 N 1.70 5.30 -0.05 2.22 1.01 -0.57 -1.70 121.20 129.11 1aw0 s ILE 7 Ca 0.05 0.18 -0.30 0.00 0.00 0.00 0.00 60.65 60.59 1aw0 s ILE 7 Cb -0.20 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 1aw0 s ILE 7 CO 0.10 0.24 1.37 0.20 0.00 0.00 0.00 174.94 176.85 1aw0 s ASN 8 N 1.75 6.88 -0.16 3.58 0.01 0.66 -0.76 114.94 126.91 1aw0 s ASN 8 Ca 0.07 2.00 0.01 0.00 -0.71 0.00 0.00 52.86 54.23 1aw0 s ASN 8 Cb -0.16 -2.55 0.02 0.00 0.41 0.00 0.00 41.25 38.97 1aw0 s ASN 8 CO 0.11 -0.73 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.19 1aw0 s ILE 9 N 2.77 1.68 0.25 0.60 1.01 -0.34 -1.31 121.20 125.86 1aw0 s ILE 9 Ca 0.62 -0.73 0.11 0.00 0.00 0.00 0.00 60.65 60.65 1aw0 s ILE 9 Cb -0.29 -1.58 -0.05 0.00 0.01 0.00 0.00 42.46 40.56 1aw0 s ILE 9 CO 0.24 0.45 -0.16 -1.81 0.00 0.00 0.00 174.94 173.65 1aw0 s ASP 10 N 1.44 3.80 0.00 3.58 1.01 -0.77 -3.87 116.67 121.85 1aw0 s ASP 10 Ca 0.04 -0.87 0.00 0.00 0.71 0.00 0.00 52.55 52.43 1aw0 s ASP 10 Cb -0.13 -0.43 0.00 0.00 1.01 0.00 0.00 42.92 43.37 1aw0 s ASP 10 CO -0.11 0.06 0.00 0.61 0.21 0.00 0.00 175.17 175.94 1aw0 n GLY 11 N -0.39 0.77 2.82 0.21 0.00 -1.26 -1.27 105.19 106.07 1aw0 n GLY 11 Ca -0.08 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.40 2.96 0.24 1.61 2.81 -1.26 -4.81 117.12 116.27 1aw0 n MET 12 Ca 0.00 -2.76 0.07 0.00 -1.81 0.00 0.00 57.70 53.20 1aw0 n MET 12 Cb 0.00 -3.27 0.56 0.00 -0.71 0.00 0.00 33.22 29.81 1aw0 n MET 12 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1aw0 h THR 13 N 4.10 1.04 -3.49 2.03 1.03 -1.99 -3.46 112.91 112.17 1aw0 h THR 13 Ca 0.54 -0.48 -0.10 0.00 -0.01 0.00 0.00 66.41 66.36 1aw0 h THR 13 Cb 0.66 1.26 -0.05 0.00 -1.07 0.00 0.00 68.15 68.96 1aw0 h THR 13 CO 1.82 0.14 0.04 0.00 -0.01 0.00 0.00 175.52 177.51 1aw0 h ASN 15 N 2.08 0.00 -0.47 0.00 4.21 -2.00 -1.65 115.58 117.75 1aw0 h ASN 15 Ca -0.28 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.20 1aw0 h ASN 15 Cb 1.25 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.42 1aw0 h ASN 15 CO 0.37 0.09 0.20 -1.28 -1.29 0.00 0.00 177.43 175.52 1aw0 h SER 16 N 0.00 0.67 -0.07 5.81 0.87 -1.99 -0.84 113.55 118.01 1aw0 h SER 16 Ca -0.00 -0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1aw0 h SER 16 Cb 0.39 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1aw0 h SER 16 CO 0.01 0.61 0.03 0.00 -0.53 0.00 0.00 176.83 176.95 1aw0 h VAL 18 N -0.01 0.51 -0.14 0.00 2.07 -1.45 -0.89 116.25 116.34 1aw0 h VAL 18 Ca 0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.58 1aw0 h VAL 18 Cb 0.12 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1aw0 h VAL 18 CO -0.00 0.00 -0.12 -0.61 0.02 0.00 0.00 177.57 176.86 1aw0 h GLN 19 N -0.27 -0.13 0.65 1.57 -0.00 -1.09 -0.91 115.11 114.93 1aw0 h GLN 19 Ca 0.09 0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.71 1aw0 h GLN 19 Cb 0.39 0.03 0.01 0.00 0.00 0.00 0.00 27.48 27.91 1aw0 h GLN 19 CO -0.25 -0.09 -0.31 0.77 0.00 0.00 0.00 178.83 178.95 1aw0 h SER 20 N -0.14 -0.74 -0.12 -0.69 0.02 -0.82 -0.23 113.55 110.83 1aw0 h SER 20 Ca 0.09 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.11 1aw0 h SER 20 Cb 0.27 0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.95 1aw0 h SER 20 CO -0.22 -0.53 -0.20 0.40 -1.14 0.00 0.00 176.83 175.14 1aw0 h ILE 21 N -0.88 0.50 0.25 3.27 2.04 -1.13 -1.09 117.51 120.48 1aw0 h ILE 21 Ca -0.09 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.78 1aw0 h ILE 21 Cb 0.67 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1aw0 h ILE 21 CO 0.15 0.00 -0.30 -0.08 0.00 0.00 0.00 178.15 177.91 1aw0 h GLU 22 N -0.25 -0.58 -0.15 2.37 4.22 -1.11 -1.61 114.58 117.46 1aw0 h GLU 22 Ca 0.10 0.04 0.03 0.00 0.08 0.00 0.00 59.36 59.61 1aw0 h GLU 22 Cb 0.39 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 1aw0 h GLU 22 CO -0.27 -0.39 -0.05 0.78 -2.18 0.00 0.00 179.01 176.90 1aw0 h GLY 23 N -0.60 0.09 0.85 1.92 0.00 -0.79 -1.03 103.07 103.50 1aw0 h GLY 23 Ca -0.00 0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 1aw0 h GLY 23 CO -0.09 -0.07 -0.22 -2.08 0.00 0.00 0.00 176.54 174.07 1aw0 h VAL 24 N -0.03 0.52 -0.63 4.60 2.07 -1.16 -3.28 116.25 118.34 1aw0 h VAL 24 Ca 0.08 -0.25 -0.07 0.00 0.82 0.00 0.00 66.70 67.27 1aw0 h VAL 24 Cb 0.15 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1aw0 h VAL 24 CO -0.17 0.04 0.11 0.40 0.02 0.00 0.00 177.57 177.98 1aw0 h ILE 25 N -0.77 1.26 -0.54 4.57 2.04 -1.21 -2.59 117.51 120.27 1aw0 h ILE 25 Ca -0.06 -0.99 0.16 0.00 1.00 0.00 0.00 64.86 64.96 1aw0 h ILE 25 Cb 0.55 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1aw0 h ILE 25 CO 0.10 0.37 0.43 0.77 0.00 0.00 0.00 178.15 179.83 1aw0 h SER 26 N 0.94 0.00 0.44 1.72 4.64 -1.26 -1.21 113.55 118.82 1aw0 h SER 26 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1aw0 h SER 26 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1aw0 h SER 26 CO 0.01 0.00 -0.39 0.29 -0.87 0.00 0.00 176.83 175.87 1aw0 n LYS 27 N -4.15 0.28 -2.28 4.77 5.02 -0.98 -4.81 118.16 116.01 1aw0 n LYS 27 Ca 0.10 -0.16 -0.42 0.00 -2.02 0.00 0.00 58.31 55.81 1aw0 n LYS 27 Cb 0.65 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.14 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 -2.83 4.29 -0.18 1.97 -0.14 -0.46 -4.95 119.74 117.44 1aw0 s LYS 28 Ca 0.16 1.89 -0.39 0.00 -1.36 0.00 0.00 55.97 56.27 1aw0 s LYS 28 Cb 0.18 -3.60 -0.15 0.00 -1.68 0.00 0.00 37.83 32.58 1aw0 s LYS 28 CO 0.63 -0.57 1.69 -2.30 -0.76 0.00 0.00 175.35 174.05 1aw0 n PRO 29 N 5.49 1.31 0.00 -1.68 -0.02 -1.26 -1.73 135.00 137.11 1aw0 n PRO 29 Ca 0.13 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1aw0 n PRO 29 Cb 0.44 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 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 3.93 2.49 3.70 -1.23 0.00 -1.26 -4.15 105.19 108.67 1aw0 n GLY 30 Ca 0.24 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.51 3.48 0.00 1.61 1.01 -0.71 -1.44 120.40 123.84 1aw0 s VAL 31 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 61.98 62.94 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 0.03 0.00 0.29 0.00 0.00 0.00 175.10 175.42 1aw0 n LYS 32 N 4.87 0.00 -2.78 2.72 5.02 -0.09 -4.90 118.16 123.00 1aw0 n LYS 32 Ca 0.13 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.17 1aw0 n LYS 32 Cb 0.43 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.45 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 5.91 -0.04 4.39 1.04 -1.25 -4.95 113.70 117.79 1aw0 s SER 33 Ca 0.00 0.57 -0.16 0.00 0.48 0.00 0.00 55.95 56.84 1aw0 s SER 33 Cb 0.00 -1.80 0.03 0.00 0.10 0.00 0.00 66.02 64.35 1aw0 s SER 33 CO 0.00 -0.73 0.35 -0.51 0.98 0.00 0.00 173.24 173.33 1aw0 s ILE 34 N -2.70 0.04 -0.19 -1.02 2.07 -1.26 -1.15 121.20 116.99 1aw0 s ILE 34 Ca 0.49 -0.33 -0.04 0.00 -1.41 0.00 0.00 60.65 59.35 1aw0 s ILE 34 Cb -0.10 -0.63 0.06 0.00 0.13 0.00 0.00 42.46 41.92 1aw0 s ILE 34 CO 0.41 -0.18 0.07 -0.60 -1.91 0.00 0.00 174.94 172.73 1aw0 s ARG 35 N -0.99 0.29 -0.54 3.50 3.00 -0.35 -5.02 118.95 118.84 1aw0 s ARG 35 Ca -0.10 -0.25 -0.18 0.00 -1.00 0.00 0.00 55.73 54.19 1aw0 s ARG 35 Cb -0.04 -1.88 0.09 0.00 0.00 0.00 0.00 34.95 33.12 1aw0 s ARG 35 CO 0.04 -0.69 0.60 0.08 0.00 0.00 0.00 175.30 175.32 1aw0 s VAL 36 N 2.03 4.97 -0.38 7.11 1.01 -1.26 -1.04 120.40 132.84 1aw0 s VAL 36 Ca 0.02 -0.97 -0.19 0.00 0.00 0.00 0.00 61.98 60.84 1aw0 s VAL 36 Cb -0.16 -4.36 0.01 0.00 0.00 0.00 0.00 36.38 31.87 1aw0 s VAL 36 CO -0.11 -0.91 0.53 -0.55 0.00 0.00 0.00 175.10 174.06 1aw0 s SER 37 N 3.23 6.30 0.02 3.32 0.15 -0.03 -4.94 113.70 121.74 1aw0 s SER 37 Ca 0.10 -0.20 -0.25 0.00 0.70 0.00 0.00 55.95 56.30 1aw0 s SER 37 Cb -0.24 -2.27 -0.18 0.00 -1.71 0.00 0.00 66.02 61.62 1aw0 s SER 37 CO 0.07 -0.57 1.38 0.25 1.20 0.00 0.00 173.24 175.57 1aw0 h LEU 38 N 9.24 -0.11 -0.38 3.45 6.46 -1.96 -0.69 115.31 131.33 1aw0 h LEU 38 Ca -0.27 -0.27 0.08 0.00 -0.12 0.00 0.00 57.88 57.30 1aw0 h LEU 38 Cb 1.12 0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 40.99 1aw0 h LEU 38 CO 0.81 0.22 -0.16 0.00 -0.62 0.00 0.00 178.44 178.69 1aw0 h ALA 39 N 0.41 0.15 -0.25 1.25 0.00 -1.95 -0.93 119.26 117.94 1aw0 h ALA 39 Ca -0.01 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1aw0 h ALA 39 Cb 0.37 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1aw0 h ALA 39 CO 0.02 -0.52 0.00 0.09 0.00 0.00 0.00 179.25 178.84 1aw0 n ASN 40 N -5.35 1.80 -3.77 0.00 3.02 -1.25 -4.97 115.26 104.76 1aw0 n ASN 40 Ca 0.02 -1.83 -0.30 0.00 -0.03 0.00 0.00 54.58 52.44 1aw0 n ASN 40 Cb 0.26 -0.16 0.03 0.00 -0.61 0.00 0.00 39.78 39.29 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 0.43 -3.83 -3.68 6.41 7.64 -0.35 -4.92 113.62 115.33 1aw0 n SER 41 Ca 0.15 -1.02 -0.10 0.00 1.01 0.00 0.00 58.87 58.91 1aw0 n SER 41 Cb 0.32 -3.25 -0.03 0.00 -1.01 0.00 0.00 64.21 60.24 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 -3.74 -0.33 -0.29 6.43 2.20 -0.34 -1.20 114.94 117.68 1aw0 s ASN 42 Ca 0.34 -0.38 -0.00 0.00 -0.94 0.00 0.00 52.86 51.88 1aw0 s ASN 42 Cb -0.13 0.60 0.05 0.00 -2.00 0.00 0.00 41.25 39.78 1aw0 s ASN 42 CO 0.87 -1.07 -0.04 -0.83 -2.94 0.00 0.00 177.10 173.10 1aw0 s GLY 43 N -2.85 1.72 -0.63 0.45 0.00 0.06 -0.85 107.32 105.22 1aw0 s GLY 43 Ca 0.07 -1.75 -0.16 0.00 0.00 0.00 0.00 44.72 42.88 1aw0 s GLY 43 CO -0.04 0.66 0.62 -1.59 0.00 0.00 0.00 173.10 172.75 1aw0 s THR 44 N 1.20 5.23 -0.21 0.90 2.01 -0.21 -1.51 115.64 123.06 1aw0 s THR 44 Ca -0.06 -1.66 -0.06 0.00 0.31 0.00 0.00 61.69 60.21 1aw0 s THR 44 Cb -0.20 -4.41 -0.03 0.00 0.01 0.00 0.00 72.50 67.87 1aw0 s THR 44 CO -0.02 -0.97 0.03 -0.69 -0.69 0.00 0.00 174.62 172.28 1aw0 s VAL 45 N 1.45 4.22 -0.08 3.82 1.01 -0.48 -1.20 120.40 129.14 1aw0 s VAL 45 Ca 0.09 -0.22 -0.20 0.00 0.00 0.00 0.00 61.98 61.65 1aw0 s VAL 45 Cb -0.23 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 1aw0 s VAL 45 CO 0.00 0.41 0.56 -0.70 0.00 0.00 0.00 175.10 175.37 1aw0 s GLU 46 N 1.07 4.36 0.19 2.72 2.12 -0.30 -1.46 118.70 127.39 1aw0 s GLU 46 Ca 0.03 0.62 -0.12 0.00 0.36 0.00 0.00 54.97 55.87 1aw0 s GLU 46 Cb -0.14 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 30.82 1aw0 s GLU 46 CO 0.02 0.17 0.38 1.52 -0.54 0.00 0.00 175.26 176.81 1aw0 s TYR 47 N 0.54 0.27 -0.34 5.30 1.13 -0.05 -0.91 117.35 123.29 1aw0 s TYR 47 Ca 0.30 -0.62 -0.10 0.00 -1.41 0.00 0.00 57.07 55.24 1aw0 s TYR 47 Cb -0.16 0.10 0.01 0.00 -1.10 0.00 0.00 41.96 40.80 1aw0 s TYR 47 CO 0.14 -0.82 0.18 0.34 -2.51 0.00 0.00 175.55 172.88 1aw0 s ASP 48 N -2.95 5.63 0.41 -0.18 2.15 -0.52 -1.13 116.67 120.08 1aw0 s ASP 48 Ca 0.16 -0.74 0.24 0.00 0.43 0.00 0.00 52.55 52.65 1aw0 s ASP 48 Cb 0.02 -2.01 1.28 0.00 -0.30 0.00 0.00 42.92 41.90 1aw0 s ASP 48 CO 0.01 -0.28 1.68 -0.65 -0.17 0.00 0.00 175.17 175.76 1aw0 h PRO 49 N 8.39 0.21 0.00 4.34 0.11 -1.77 -0.65 132.00 142.62 1aw0 h PRO 49 Ca -0.29 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.75 1aw0 h PRO 49 Cb 1.13 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1aw0 h PRO 49 CO 0.64 0.14 -0.26 -0.07 -0.21 0.00 0.00 178.00 178.23 1aw0 h LEU 50 N 0.21 0.00 0.00 2.35 3.38 -1.94 -3.33 115.31 115.98 1aw0 h LEU 50 Ca 0.74 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.51 1aw0 h LEU 50 Cb 2.11 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.82 1aw0 h LEU 50 CO -0.41 0.26 -1.73 0.18 0.09 0.00 0.00 178.44 176.83 1aw0 n LEU 51 N -4.03 1.58 -4.16 1.67 4.77 -0.53 -5.07 117.00 111.23 1aw0 n LEU 51 Ca -0.02 -0.04 -0.17 0.00 -0.03 0.00 0.00 56.01 55.76 1aw0 n LEU 51 Cb 0.33 -0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.24 1aw0 n LEU 51 CO 0.36 0.50 0.06 0.28 -1.33 0.00 0.00 177.39 177.26 1aw0 s THR 52 N -2.26 0.00 0.14 -5.08 -1.32 -0.36 -4.76 115.64 102.00 1aw0 s THR 52 Ca -0.12 -1.74 -0.12 0.00 -1.21 0.00 0.00 61.69 58.51 1aw0 s THR 52 Cb 0.04 -2.61 0.01 0.00 -1.51 0.00 0.00 72.50 68.42 1aw0 s THR 52 CO 0.36 0.00 0.32 -0.94 -2.21 0.00 0.00 174.62 172.15 1aw0 s SER 53 N -3.30 -0.05 0.31 8.08 1.04 -1.26 -3.63 113.70 114.90 1aw0 s SER 53 Ca 0.34 -0.63 0.05 0.00 0.48 0.00 0.00 55.95 56.19 1aw0 s SER 53 Cb 0.00 0.44 0.68 0.00 0.10 0.00 0.00 66.02 67.25 1aw0 s SER 53 CO 0.24 -0.87 1.84 -0.65 0.98 0.00 0.00 173.24 174.78 1aw0 h PRO 54 N 2.50 0.82 -0.03 4.02 0.11 -1.98 -1.21 132.00 136.24 1aw0 h PRO 54 Ca -0.32 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.74 1aw0 h PRO 54 Cb 1.23 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1aw0 h PRO 54 CO 0.48 0.54 0.01 0.93 -0.21 0.00 0.00 178.00 179.76 1aw0 h GLU 55 N 0.85 0.04 -0.23 1.05 4.39 -1.98 -0.10 114.58 118.59 1aw0 h GLU 55 Ca 0.49 -0.00 0.02 0.00 0.34 0.00 0.00 59.36 60.20 1aw0 h GLU 55 Cb 0.63 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 1aw0 h GLU 55 CO -0.25 0.10 0.09 1.15 -1.16 0.00 0.00 179.01 178.93 1aw0 h THR 56 N -0.04 0.96 -0.21 1.13 2.02 -1.81 -0.19 112.91 114.78 1aw0 h THR 56 Ca 0.01 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 1aw0 h THR 56 Cb 0.07 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1aw0 h THR 56 CO -0.00 0.04 0.13 -0.07 0.37 0.00 0.00 175.52 175.99 1aw0 h LEU 57 N 0.21 0.25 -0.62 2.58 3.38 -1.15 -0.39 115.31 119.56 1aw0 h LEU 57 Ca 0.10 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.09 1aw0 h LEU 57 Cb 0.06 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 1aw0 h LEU 57 CO -0.09 0.21 0.33 -0.09 0.09 0.00 0.00 178.44 178.89 1aw0 h ARG 58 N 0.26 0.59 -0.52 1.13 2.43 -0.84 -1.25 114.38 116.18 1aw0 h ARG 58 Ca 0.08 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.27 1aw0 h ARG 58 Cb 0.01 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.37 1aw0 h ARG 58 CO -0.01 0.39 0.23 0.78 -1.51 0.00 0.00 179.97 179.85 1aw0 h GLY 59 N 0.61 0.72 0.88 2.80 0.00 -0.53 -0.44 103.07 107.11 1aw0 h GLY 59 Ca 0.28 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 1aw0 h GLY 59 CO -0.19 0.07 0.01 0.00 0.00 0.00 0.00 176.54 176.43 1aw0 h ALA 60 N 1.31 0.02 -0.47 3.60 0.00 -0.47 -0.24 119.26 123.00 1aw0 h ALA 60 Ca 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1aw0 h ALA 60 Cb 0.20 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1aw0 h ALA 60 CO -0.20 -0.42 0.31 0.82 0.00 0.00 0.00 179.25 179.76 1aw0 h ILE 61 N -0.10 1.12 -0.21 0.00 2.04 -1.08 -0.70 117.51 118.58 1aw0 h ILE 61 Ca 0.00 -0.23 0.03 0.00 1.00 0.00 0.00 64.86 65.66 1aw0 h ILE 61 Cb 0.12 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1aw0 h ILE 61 CO -0.00 0.12 0.04 -0.08 0.00 0.00 0.00 178.15 178.23 1aw0 h GLU 62 N 0.64 0.12 -0.67 2.37 4.22 -0.99 -1.36 114.58 118.91 1aw0 h GLU 62 Ca 0.17 -0.01 0.03 0.00 0.08 0.00 0.00 59.36 59.63 1aw0 h GLU 62 Cb -0.07 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.11 1aw0 h GLU 62 CO -0.04 0.08 0.42 0.22 -2.18 0.00 0.00 179.01 177.51 1aw0 h ASP 63 N 0.12 0.69 -0.57 1.04 3.58 -0.62 -2.06 116.42 118.61 1aw0 h ASP 63 Ca 0.10 -0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.56 1aw0 h ASP 63 Cb 0.09 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 1aw0 h ASP 63 CO -0.13 0.48 0.36 0.24 -2.88 0.00 0.00 179.24 177.31 1aw0 h MET 64 N 0.83 0.71 0.00 0.28 2.86 -0.89 -3.47 114.93 115.24 1aw0 h MET 64 Ca 0.27 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1aw0 h MET 64 Cb 0.01 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.51 1aw0 h MET 64 CO -0.10 0.47 0.00 0.41 1.06 0.00 0.00 176.91 178.75 1aw0 n GLY 65 N -1.25 0.31 3.05 8.32 0.00 -0.54 -5.11 105.19 109.97 1aw0 n GLY 65 Ca 0.04 -0.69 -0.08 0.00 0.00 0.00 0.00 46.02 45.29 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 0.39 -0.97 1.61 0.08 -1.07 -5.02 117.98 113.00 1aw0 s PHE 66 Ca 0.00 -0.80 -0.24 0.00 0.12 0.00 0.00 56.93 56.02 1aw0 s PHE 66 Cb 0.00 -0.29 0.03 0.00 -0.57 0.00 0.00 43.02 42.20 1aw0 s PHE 66 CO 0.00 -0.30 1.51 -0.51 -0.10 0.00 0.00 175.22 175.82 1aw0 s ASP 67 N -2.25 6.25 -0.20 1.36 1.01 -0.39 -4.10 116.67 118.35 1aw0 s ASP 67 Ca -0.04 -1.21 -0.10 0.00 0.71 0.00 0.00 52.55 51.91 1aw0 s ASP 67 Cb -0.00 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.31 1aw0 s ASP 67 CO -0.06 -1.73 0.15 0.00 0.21 0.00 0.00 175.17 173.74 1aw0 s ALA 68 N 5.85 3.68 -0.15 5.23 0.00 -1.26 -1.86 121.76 133.25 1aw0 s ALA 68 Ca 0.49 -0.68 -0.09 0.00 0.00 0.00 0.00 51.96 51.67 1aw0 s ALA 68 Cb -0.02 -2.20 0.05 0.00 0.00 0.00 0.00 23.12 20.95 1aw0 s ALA 68 CO -0.06 0.13 0.36 0.99 0.00 0.00 0.00 175.76 177.18 1aw0 s THR 69 N 0.42 -0.02 0.97 0.00 2.01 -0.43 -4.98 115.64 113.61 1aw0 s THR 69 Ca 0.09 0.08 -0.11 0.00 0.31 0.00 0.00 61.69 62.06 1aw0 s THR 69 Cb -0.11 -0.53 0.17 0.00 0.01 0.00 0.00 72.50 72.04 1aw0 s THR 69 CO -0.01 0.03 1.09 -0.76 -0.69 0.00 0.00 174.62 174.29 1aw0 s LEU 70 N 1.08 2.14 -1.16 4.42 1.43 -1.26 -0.24 118.68 125.08 1aw0 s LEU 70 Ca -0.07 1.80 -0.21 0.00 -1.03 0.00 0.00 54.13 54.61 1aw0 s LEU 70 Cb -0.07 -4.08 -0.01 0.00 0.03 0.00 0.00 46.19 42.05 1aw0 s LEU 70 CO -0.09 -3.23 1.81 -0.94 0.23 0.00 0.00 176.35 174.14 1aw0 s SER 71 N -2.87 5.81 0.00 2.29 1.04 -0.69 -4.65 113.70 114.63 1aw0 s SER 71 Ca 0.66 -1.75 0.00 0.00 0.48 0.00 0.00 55.95 55.34 1aw0 s SER 71 Cb -0.22 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.32 1aw0 s SER 71 CO 0.59 -2.23 0.01 -0.90 0.98 0.00 0.00 173.24 171.70