#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 -0.12 0.11 -5.08 -4.23 -1.26 -4.33 115.64 100.74 1aw0 s THR 2 Ca 0.00 0.37 -0.01 0.00 -1.18 0.00 0.00 61.69 60.88 1aw0 s THR 2 Cb 0.00 -0.16 -0.04 0.00 1.34 0.00 0.00 72.50 73.64 1aw0 s THR 2 CO 0.00 0.16 0.03 -1.10 -0.54 0.00 0.00 174.62 173.16 1aw0 s GLN 3 N 1.95 0.86 -0.00 3.99 -1.52 -0.43 -4.98 119.66 119.52 1aw0 s GLN 3 Ca 0.02 -1.39 0.07 0.00 -1.95 0.00 0.00 55.36 52.10 1aw0 s GLN 3 Cb -0.12 0.18 -0.02 0.00 -0.22 0.00 0.00 33.01 32.83 1aw0 s GLN 3 CO -0.03 -0.21 -0.21 -2.00 -0.25 0.00 0.00 175.29 172.59 1aw0 s GLU 4 N -4.00 1.66 -0.02 2.91 2.12 -1.26 -1.23 118.70 118.88 1aw0 s GLU 4 Ca 0.20 -0.80 0.01 0.00 0.36 0.00 0.00 54.97 54.74 1aw0 s GLU 4 Cb 0.07 -1.64 0.01 0.00 0.26 0.00 0.00 34.13 32.83 1aw0 s GLU 4 CO -0.01 0.44 -0.04 -0.08 -0.54 0.00 0.00 175.26 175.04 1aw0 s THR 5 N -0.55 0.36 -0.25 -1.70 -1.32 -0.44 -5.00 115.64 106.74 1aw0 s THR 5 Ca 0.08 -0.12 -0.11 0.00 -1.21 0.00 0.00 61.69 60.33 1aw0 s THR 5 Cb -0.08 -0.36 -0.05 0.00 -1.51 0.00 0.00 72.50 70.50 1aw0 s THR 5 CO -0.00 0.14 0.18 -0.69 -2.21 0.00 0.00 174.62 172.04 1aw0 s VAL 6 N 0.35 5.34 -0.18 5.08 1.01 -0.00 -0.98 120.40 131.02 1aw0 s VAL 6 Ca -0.04 0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.16 1aw0 s VAL 6 Cb -0.07 -3.52 0.02 0.00 0.00 0.00 0.00 36.38 32.81 1aw0 s VAL 6 CO -0.00 0.32 -0.19 -0.63 0.00 0.00 0.00 175.10 174.59 1aw0 s ILE 7 N 1.21 2.01 0.05 2.22 1.01 -0.46 -0.79 121.20 126.45 1aw0 s ILE 7 Ca 0.08 -0.91 -0.31 0.00 0.00 0.00 0.00 60.65 59.51 1aw0 s ILE 7 Cb -0.14 -1.82 -0.06 0.00 0.01 0.00 0.00 42.46 40.45 1aw0 s ILE 7 CO 0.06 0.53 1.22 0.20 0.00 0.00 0.00 174.94 176.96 1aw0 s ASN 8 N 1.30 7.04 -0.26 3.58 0.01 0.47 -0.68 114.94 126.41 1aw0 s ASN 8 Ca 0.05 2.02 0.02 0.00 -0.71 0.00 0.00 52.86 54.24 1aw0 s ASN 8 Cb -0.13 -2.58 0.07 0.00 0.41 0.00 0.00 41.25 39.02 1aw0 s ASN 8 CO -0.12 -0.51 -0.07 -0.63 -1.51 0.00 0.00 177.10 174.26 1aw0 s ILE 9 N 1.26 1.94 -0.01 0.60 1.01 -0.38 -1.31 121.20 124.32 1aw0 s ILE 9 Ca 0.59 -1.57 -0.03 0.00 0.00 0.00 0.00 60.65 59.64 1aw0 s ILE 9 Cb -0.30 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 1aw0 s ILE 9 CO 0.28 -0.13 0.20 -0.62 0.00 0.00 0.00 174.94 174.67 1aw0 s ASP 10 N 1.19 6.39 0.00 3.58 2.15 -0.40 -4.26 116.67 125.32 1aw0 s ASP 10 Ca -0.05 0.38 0.00 0.00 0.43 0.00 0.00 52.55 53.31 1aw0 s ASP 10 Cb -0.19 -2.02 0.00 0.00 -0.30 0.00 0.00 42.92 40.41 1aw0 s ASP 10 CO -0.06 0.26 0.00 0.61 -0.17 0.00 0.00 175.17 175.81 1aw0 n GLY 11 N 0.97 0.30 0.22 2.66 0.00 -1.26 -0.88 105.19 107.20 1aw0 n GLY 11 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 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 3.74 -0.36 0.00 1.61 2.86 -1.93 -3.46 114.93 117.40 1aw0 h MET 12 Ca 0.00 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1aw0 h MET 12 Cb 0.00 0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1aw0 h MET 12 CO 0.00 -0.24 0.00 2.41 1.06 0.00 0.00 176.91 180.14 1aw0 n THR 13 N -5.30 0.00 -4.09 2.22 -1.04 -1.26 -4.64 114.28 100.17 1aw0 n THR 13 Ca -0.07 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.83 1aw0 n THR 13 Cb 0.22 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.64 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 2.54 0.32 -0.50 0.00 2.35 -1.99 -2.71 115.58 115.60 1aw0 h ASN 15 Ca -0.32 -0.10 -0.09 0.00 -0.55 0.00 0.00 56.30 55.24 1aw0 h ASN 15 Cb 1.24 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.50 1aw0 h ASN 15 CO 0.48 0.58 -0.02 0.77 -1.65 0.00 0.00 177.43 177.59 1aw0 h SER 16 N 0.29 0.88 0.00 5.81 4.64 -1.98 -0.36 113.55 122.85 1aw0 h SER 16 Ca 0.05 -0.32 -0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1aw0 h SER 16 Cb 0.60 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1aw0 h SER 16 CO 0.04 0.99 -0.00 0.00 -0.87 0.00 0.00 176.83 176.99 1aw0 h VAL 18 N -0.10 0.55 -0.07 0.00 2.07 -1.34 -0.53 116.25 116.82 1aw0 h VAL 18 Ca -0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1aw0 h VAL 18 Cb 0.10 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1aw0 h VAL 18 CO 0.00 0.00 -0.03 -0.61 0.02 0.00 0.00 177.57 176.95 1aw0 h GLN 19 N -0.02 -0.03 -0.25 1.57 -0.00 -0.94 -1.29 115.11 114.15 1aw0 h GLN 19 Ca 0.20 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.88 1aw0 h GLN 19 Cb 0.33 0.01 -0.03 0.00 0.00 0.00 0.00 27.48 27.79 1aw0 h GLN 19 CO -0.45 -0.02 0.09 0.77 0.00 0.00 0.00 178.83 179.22 1aw0 h SER 20 N -0.03 0.10 -0.00 -0.69 0.02 -0.52 -0.71 113.55 111.72 1aw0 h SER 20 Ca 0.04 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1aw0 h SER 20 Cb 0.09 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1aw0 h SER 20 CO -0.09 0.09 -0.03 0.40 -1.14 0.00 0.00 176.83 176.06 1aw0 h ILE 21 N 0.20 0.91 -0.05 3.27 2.04 -1.02 -0.98 117.51 121.88 1aw0 h ILE 21 Ca 0.11 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.01 1aw0 h ILE 21 Cb 0.08 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 37.01 1aw0 h ILE 21 CO -0.11 0.00 -0.38 -0.08 0.00 0.00 0.00 178.15 177.58 1aw0 h GLU 22 N -0.06 -0.49 0.31 2.37 4.22 -0.90 -0.63 114.58 119.41 1aw0 h GLU 22 Ca 0.02 0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.49 1aw0 h GLU 22 Cb 0.08 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1aw0 h GLU 22 CO -0.04 -0.32 -0.27 0.78 -2.18 0.00 0.00 179.01 176.98 1aw0 h GLY 23 N -0.51 -0.63 0.96 1.92 0.00 -1.00 -1.77 103.07 102.04 1aw0 h GLY 23 Ca 0.06 0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.67 1aw0 h GLY 23 CO -0.33 -0.25 -0.29 -2.08 0.00 0.00 0.00 176.54 173.59 1aw0 h VAL 24 N -0.59 0.38 -0.72 4.60 2.07 -1.06 -3.14 116.25 117.78 1aw0 h VAL 24 Ca -0.02 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1aw0 h VAL 24 Cb 0.53 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1aw0 h VAL 24 CO -0.03 0.01 0.39 0.40 0.02 0.00 0.00 177.57 178.36 1aw0 h ILE 25 N -0.88 1.22 -1.00 4.57 1.08 -1.15 -1.99 117.51 119.36 1aw0 h ILE 25 Ca -0.08 -0.54 0.22 0.00 -0.39 0.00 0.00 64.86 64.06 1aw0 h ILE 25 Cb 0.65 0.24 -0.10 0.00 -3.07 0.00 0.00 36.82 34.54 1aw0 h ILE 25 CO 0.14 0.24 0.62 -1.28 -0.69 0.00 0.00 178.15 177.18 1aw0 h SER 26 N 1.01 0.62 0.06 1.72 0.87 -1.27 -1.60 113.55 114.96 1aw0 h SER 26 Ca 0.26 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.91 1aw0 h SER 26 Cb 0.03 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1aw0 h SER 26 CO -0.04 0.18 -0.07 0.29 -0.53 0.00 0.00 176.83 176.66 1aw0 n LYS 27 N -4.71 1.39 -2.27 2.24 4.76 -0.75 -4.42 118.16 114.41 1aw0 n LYS 27 Ca 0.24 -0.78 -0.38 0.00 -2.87 0.00 0.00 58.31 54.52 1aw0 n LYS 27 Cb 0.70 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 32.39 1aw0 n LYS 27 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1aw0 s LYS 28 N -2.15 3.92 0.14 1.97 -0.14 -0.60 -4.95 119.74 117.93 1aw0 s LYS 28 Ca 0.35 1.82 -0.31 0.00 -1.36 0.00 0.00 55.97 56.47 1aw0 s LYS 28 Cb 0.21 -2.56 -0.10 0.00 -1.68 0.00 0.00 37.83 33.70 1aw0 s LYS 28 CO 0.39 -0.43 1.65 -1.25 -0.76 0.00 0.00 175.35 174.95 1aw0 s PRO 29 N -2.48 4.19 0.00 -1.68 0.04 -1.26 -1.86 135.00 131.95 1aw0 s PRO 29 Ca 0.60 2.42 0.00 0.00 0.04 0.00 0.00 61.00 64.06 1aw0 s PRO 29 Cb -0.30 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 30.90 1aw0 s PRO 29 CO 0.37 -0.70 0.00 0.41 0.04 0.00 0.00 177.00 177.12 1aw0 n GLY 30 N 3.93 3.00 3.76 0.56 0.00 -1.26 -4.36 105.19 110.81 1aw0 n GLY 30 Ca 0.15 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.13 3.33 0.00 1.61 1.01 -0.78 -1.35 120.40 123.10 1aw0 s VAL 31 Ca 0.00 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.31 1aw0 s VAL 31 Cb 0.00 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1aw0 s VAL 31 CO 0.00 0.31 0.00 0.29 0.00 0.00 0.00 175.10 175.70 1aw0 n LYS 32 N 1.08 0.00 -2.98 2.72 5.02 -0.28 -4.76 118.16 118.96 1aw0 n LYS 32 Ca -0.01 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 1aw0 n LYS 32 Cb 0.44 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 -0.38 6.27 -0.14 4.39 1.04 -1.25 -4.75 113.70 118.88 1aw0 s SER 33 Ca 0.00 0.70 -0.12 0.00 0.48 0.00 0.00 55.95 57.01 1aw0 s SER 33 Cb 0.00 -2.14 0.04 0.00 0.10 0.00 0.00 66.02 64.02 1aw0 s SER 33 CO 0.00 -0.45 0.37 -0.51 0.98 0.00 0.00 173.24 173.63 1aw0 s ILE 34 N -2.54 -0.00 -0.32 -1.02 2.07 -1.26 -1.33 121.20 116.80 1aw0 s ILE 34 Ca 0.44 0.01 0.02 0.00 -1.41 0.00 0.00 60.65 59.71 1aw0 s ILE 34 Cb -0.10 -0.52 0.08 0.00 0.13 0.00 0.00 42.46 42.05 1aw0 s ILE 34 CO 0.41 0.00 0.01 -0.13 -1.91 0.00 0.00 174.94 173.32 1aw0 s ARG 35 N 0.32 1.92 -0.23 3.50 1.81 -0.49 -4.99 118.95 120.79 1aw0 s ARG 35 Ca -0.01 -1.61 -0.16 0.00 -1.72 0.00 0.00 55.73 52.23 1aw0 s ARG 35 Cb -0.03 -3.14 -0.04 0.00 -0.45 0.00 0.00 34.95 31.29 1aw0 s ARG 35 CO -0.01 -0.79 0.39 0.08 -0.68 0.00 0.00 175.30 174.30 1aw0 s VAL 36 N 1.04 5.18 -0.18 3.52 1.01 -1.26 -1.17 120.40 128.54 1aw0 s VAL 36 Ca 0.02 0.66 -0.04 0.00 0.00 0.00 0.00 61.98 62.62 1aw0 s VAL 36 Cb -0.20 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 1aw0 s VAL 36 CO -0.06 0.20 -0.03 -0.55 0.00 0.00 0.00 175.10 174.66 1aw0 s SER 37 N 1.32 4.67 0.02 3.32 0.15 -0.34 -4.95 113.70 117.90 1aw0 s SER 37 Ca 0.17 -0.20 -0.26 0.00 0.70 0.00 0.00 55.95 56.36 1aw0 s SER 37 Cb -0.15 -1.77 -0.16 0.00 -1.71 0.00 0.00 66.02 62.22 1aw0 s SER 37 CO 0.09 0.11 1.26 0.25 1.20 0.00 0.00 173.24 176.15 1aw0 h LEU 38 N 7.13 -0.49 -0.58 3.45 7.12 -1.95 -1.03 115.31 128.95 1aw0 h LEU 38 Ca -0.33 -0.10 0.11 0.00 0.13 0.00 0.00 57.88 57.69 1aw0 h LEU 38 Cb 1.19 0.13 -0.09 0.00 -0.53 0.00 0.00 40.66 41.36 1aw0 h LEU 38 CO 0.61 -0.15 0.10 0.00 -0.13 0.00 0.00 178.44 178.87 1aw0 h ALA 39 N -0.46 0.67 0.00 1.25 0.00 -1.97 -1.01 119.26 117.73 1aw0 h ALA 39 Ca -0.06 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1aw0 h ALA 39 Cb 0.56 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1aw0 h ALA 39 CO 0.10 -0.32 -0.51 0.09 0.00 0.00 0.00 179.25 178.61 1aw0 n ASN 40 N -5.15 0.50 -3.62 0.00 4.13 -1.25 -4.98 115.26 104.88 1aw0 n ASN 40 Ca 0.08 -0.14 -0.25 0.00 1.68 0.00 0.00 54.58 55.95 1aw0 n ASN 40 Cb 0.32 0.21 0.04 0.00 -1.54 0.00 0.00 39.78 38.80 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 -1.61 -4.05 -3.93 6.41 7.64 -0.39 -4.91 113.62 112.78 1aw0 n SER 41 Ca 0.05 -0.90 -0.08 0.00 1.01 0.00 0.00 58.87 58.95 1aw0 n SER 41 Cb 0.35 -3.90 -0.04 0.00 -1.01 0.00 0.00 64.21 59.61 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 -3.77 -0.17 -0.18 6.43 2.20 -1.00 -1.25 114.94 117.21 1aw0 s ASN 42 Ca 0.31 -0.77 0.00 0.00 -0.94 0.00 0.00 52.86 51.45 1aw0 s ASN 42 Cb -0.09 0.65 0.04 0.00 -2.00 0.00 0.00 41.25 39.85 1aw0 s ASN 42 CO 0.83 -1.22 -0.08 -0.83 -2.94 0.00 0.00 177.10 172.86 1aw0 s GLY 43 N -2.97 1.07 -0.65 0.45 0.00 0.15 -1.20 107.32 104.18 1aw0 s GLY 43 Ca 0.17 -0.96 -0.16 0.00 0.00 0.00 0.00 44.72 43.77 1aw0 s GLY 43 CO 0.08 0.83 0.63 -1.59 0.00 0.00 0.00 173.10 173.04 1aw0 s THR 44 N 1.54 5.28 -0.20 0.90 2.01 -0.32 -1.35 115.64 123.50 1aw0 s THR 44 Ca 0.00 -1.76 -0.10 0.00 0.31 0.00 0.00 61.69 60.14 1aw0 s THR 44 Cb -0.15 -4.41 -0.05 0.00 0.01 0.00 0.00 72.50 67.89 1aw0 s THR 44 CO -0.08 -0.97 0.14 -0.69 -0.69 0.00 0.00 174.62 172.33 1aw0 s VAL 45 N 1.30 5.40 -0.24 3.82 1.01 -0.15 -1.39 120.40 130.14 1aw0 s VAL 45 Ca 0.10 0.21 -0.11 0.00 0.00 0.00 0.00 61.98 62.17 1aw0 s VAL 45 Cb -0.22 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1aw0 s VAL 45 CO -0.01 0.43 0.19 -1.61 0.00 0.00 0.00 175.10 174.10 1aw0 s GLU 46 N 0.45 4.06 0.27 2.72 2.02 -0.44 -1.33 118.70 126.45 1aw0 s GLU 46 Ca 0.08 -0.23 -0.09 0.00 0.02 0.00 0.00 54.97 54.75 1aw0 s GLU 46 Cb -0.11 -3.56 -0.00 0.00 0.10 0.00 0.00 34.13 30.55 1aw0 s GLU 46 CO -0.01 0.00 0.46 1.52 0.02 0.00 0.00 175.26 177.26 1aw0 s TYR 47 N 1.22 0.59 -0.36 1.61 1.13 -0.37 -1.13 117.35 120.04 1aw0 s TYR 47 Ca 0.09 -0.92 -0.10 0.00 -1.41 0.00 0.00 57.07 54.73 1aw0 s TYR 47 Cb -0.14 0.09 0.03 0.00 -1.10 0.00 0.00 41.96 40.84 1aw0 s TYR 47 CO 0.06 -1.03 0.18 0.34 -2.51 0.00 0.00 175.55 172.59 1aw0 s ASP 48 N -3.09 5.61 0.35 -0.18 2.15 -0.45 -1.32 116.67 119.74 1aw0 s ASP 48 Ca 0.25 -1.02 0.15 0.00 0.43 0.00 0.00 52.55 52.36 1aw0 s ASP 48 Cb -0.00 -1.98 1.15 0.00 -0.30 0.00 0.00 42.92 41.79 1aw0 s ASP 48 CO 0.12 -0.36 1.59 -0.65 -0.17 0.00 0.00 175.17 175.70 1aw0 h PRO 49 N 8.37 0.05 -0.54 4.34 0.11 -1.76 -0.95 132.00 141.61 1aw0 h PRO 49 Ca -0.25 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 1aw0 h PRO 49 Cb 1.10 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 1aw0 h PRO 49 CO 0.65 0.03 0.33 -0.07 -0.21 0.00 0.00 178.00 178.72 1aw0 h LEU 50 N 0.05 0.64 0.00 2.35 3.38 -1.95 -3.25 115.31 116.53 1aw0 h LEU 50 Ca 0.76 -0.03 -0.37 0.00 0.09 0.00 0.00 57.88 58.33 1aw0 h LEU 50 Cb 1.89 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 42.41 1aw0 h LEU 50 CO -0.79 0.49 -2.41 0.18 0.09 0.00 0.00 178.44 176.01 1aw0 n LEU 51 N -4.43 0.65 -3.74 1.67 4.77 -0.49 -5.01 117.00 110.42 1aw0 n LEU 51 Ca 0.05 -0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 1aw0 n LEU 51 Cb 0.07 0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 41.28 1aw0 n LEU 51 CO 0.36 0.60 0.05 0.28 -1.33 0.00 0.00 177.39 177.35 1aw0 s THR 52 N -2.50 0.07 0.31 -5.08 -1.32 -0.48 -4.76 115.64 101.88 1aw0 s THR 52 Ca -0.15 -0.55 0.10 0.00 -1.21 0.00 0.00 61.69 59.87 1aw0 s THR 52 Cb 0.07 -0.81 -0.05 0.00 -1.51 0.00 0.00 72.50 70.20 1aw0 s THR 52 CO 0.78 -0.30 -0.04 -0.94 -2.21 0.00 0.00 174.62 171.90 1aw0 s SER 53 N -1.73 4.12 0.32 8.08 1.04 -1.26 -3.54 113.70 120.72 1aw0 s SER 53 Ca -0.09 -0.92 0.08 0.00 0.48 0.00 0.00 55.95 55.50 1aw0 s SER 53 Cb -0.03 -0.55 0.83 0.00 0.10 0.00 0.00 66.02 66.37 1aw0 s SER 53 CO 0.00 -0.11 1.76 -0.65 0.98 0.00 0.00 173.24 175.22 1aw0 h PRO 54 N 1.94 0.64 -0.56 4.02 0.11 -1.99 -1.26 132.00 134.91 1aw0 h PRO 54 Ca -0.42 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 1aw0 h PRO 54 Cb 1.25 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1aw0 h PRO 54 CO 0.64 0.43 -0.03 0.93 -0.21 0.00 0.00 178.00 179.76 1aw0 h GLU 55 N 0.66 0.99 -0.21 1.05 5.08 -1.98 -0.22 114.58 119.96 1aw0 h GLU 55 Ca 0.60 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.63 1aw0 h GLU 55 Cb 1.07 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1aw0 h GLU 55 CO -0.41 0.99 0.07 1.15 -1.00 0.00 0.00 179.01 179.82 1aw0 h THR 56 N 0.90 1.18 -0.07 1.13 2.02 -1.67 -0.24 112.91 116.16 1aw0 h THR 56 Ca 0.16 -0.56 -0.00 0.00 0.77 0.00 0.00 66.41 66.78 1aw0 h THR 56 Cb 0.56 1.16 -0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1aw0 h THR 56 CO 0.03 0.18 0.04 -0.07 0.37 0.00 0.00 175.52 176.07 1aw0 h LEU 57 N 0.17 0.09 -0.60 2.58 3.38 -1.15 -0.28 115.31 119.50 1aw0 h LEU 57 Ca 0.07 -0.11 0.12 0.00 0.09 0.00 0.00 57.88 58.05 1aw0 h LEU 57 Cb 0.21 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.84 1aw0 h LEU 57 CO -0.00 0.18 0.01 -0.09 0.09 0.00 0.00 178.44 178.62 1aw0 h ARG 58 N 0.00 0.12 -0.43 1.13 2.43 -1.04 -1.37 114.38 115.22 1aw0 h ARG 58 Ca 0.02 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1aw0 h ARG 58 Cb 0.11 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.58 1aw0 h ARG 58 CO -0.00 0.08 0.16 0.78 -1.51 0.00 0.00 179.97 179.48 1aw0 h GLY 59 N 0.13 0.57 0.94 2.80 0.00 -0.30 0.10 103.07 107.31 1aw0 h GLY 59 Ca 0.31 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 1aw0 h GLY 59 CO -0.50 0.04 0.16 0.00 0.00 0.00 0.00 176.54 176.23 1aw0 h ALA 60 N 1.28 0.47 -0.57 3.60 0.00 -0.44 0.10 119.26 123.69 1aw0 h ALA 60 Ca 0.20 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1aw0 h ALA 60 Cb 0.18 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1aw0 h ALA 60 CO -0.19 0.05 0.35 0.82 0.00 0.00 0.00 179.25 180.28 1aw0 h ILE 61 N 0.44 1.16 -0.62 0.00 2.04 -1.05 -1.66 117.51 117.82 1aw0 h ILE 61 Ca 0.12 -0.35 -0.07 0.00 1.00 0.00 0.00 64.86 65.56 1aw0 h ILE 61 Cb 0.16 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 1aw0 h ILE 61 CO -0.01 0.16 0.09 -0.08 0.00 0.00 0.00 178.15 178.31 1aw0 h GLU 62 N 0.76 1.01 -0.50 2.37 4.57 -0.74 -1.75 114.58 120.30 1aw0 h GLU 62 Ca 0.20 -0.26 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1aw0 h GLU 62 Cb -0.04 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.41 1aw0 h GLU 62 CO -0.04 0.94 0.23 0.22 -1.18 0.00 0.00 179.01 179.18 1aw0 h ASP 63 N 0.95 0.66 -0.17 1.04 3.58 -0.45 -2.53 116.42 119.50 1aw0 h ASP 63 Ca 0.19 -0.14 0.01 0.00 0.42 0.00 0.00 57.03 57.52 1aw0 h ASP 63 Cb 0.43 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.29 1aw0 h ASP 63 CO 0.01 0.62 0.06 0.24 -2.88 0.00 0.00 179.24 177.29 1aw0 h MET 64 N 0.67 0.15 0.00 0.28 2.86 -1.17 -3.47 114.93 114.24 1aw0 h MET 64 Ca 0.17 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1aw0 h MET 64 Cb 0.13 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1aw0 h MET 64 CO -0.02 0.10 0.00 0.41 1.06 0.00 0.00 176.91 178.46 1aw0 n GLY 65 N -1.15 0.06 2.86 8.32 0.00 -0.69 -5.12 105.19 109.46 1aw0 n GLY 65 Ca -0.03 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.00 -0.67 1.61 0.08 -1.00 -4.95 117.98 113.05 1aw0 s PHE 66 Ca 0.00 0.05 -0.26 0.00 0.12 0.00 0.00 56.93 56.84 1aw0 s PHE 66 Cb 0.00 -0.05 -0.03 0.00 -0.57 0.00 0.00 43.02 42.37 1aw0 s PHE 66 CO 0.00 -0.03 1.90 0.34 -0.10 0.00 0.00 175.22 177.34 1aw0 s ASP 67 N 0.27 5.20 -0.17 1.36 2.15 -0.06 -3.65 116.67 121.76 1aw0 s ASP 67 Ca -0.02 0.16 -0.09 0.00 0.43 0.00 0.00 52.55 53.03 1aw0 s ASP 67 Cb -0.03 -2.53 -0.05 0.00 -0.30 0.00 0.00 42.92 40.01 1aw0 s ASP 67 CO -0.01 -2.49 0.14 0.00 -0.17 0.00 0.00 175.17 172.65 1aw0 s ALA 68 N 9.46 3.75 -0.06 3.66 0.00 -1.26 -1.27 121.76 136.03 1aw0 s ALA 68 Ca 0.69 -0.67 -0.05 0.00 0.00 0.00 0.00 51.96 51.93 1aw0 s ALA 68 Cb -0.12 -2.12 0.02 0.00 0.00 0.00 0.00 23.12 20.91 1aw0 s ALA 68 CO 0.16 0.30 0.16 0.99 0.00 0.00 0.00 175.76 177.38 1aw0 s THR 69 N -0.07 -0.01 0.55 0.00 2.01 -0.42 -4.99 115.64 112.70 1aw0 s THR 69 Ca 0.10 0.02 -0.20 0.00 0.31 0.00 0.00 61.69 61.93 1aw0 s THR 69 Cb -0.11 -0.24 -0.05 0.00 0.01 0.00 0.00 72.50 72.11 1aw0 s THR 69 CO 0.00 0.01 1.23 -0.76 -0.69 0.00 0.00 174.62 174.41 1aw0 s LEU 70 N 0.25 3.79 -0.33 4.42 2.01 -1.26 -0.39 118.68 127.16 1aw0 s LEU 70 Ca -0.01 2.45 0.16 0.00 0.01 0.00 0.00 54.13 56.73 1aw0 s LEU 70 Cb -0.03 -4.45 0.44 0.00 0.01 0.00 0.00 46.19 42.17 1aw0 s LEU 70 CO -0.01 -1.43 1.18 -0.24 1.01 0.00 0.00 176.35 176.86 1aw0 n SER 71 N -1.21 0.13 0.00 2.29 2.88 0.03 -4.68 113.62 113.06 1aw0 n SER 71 Ca 0.11 -2.44 0.00 0.00 -1.33 0.00 0.00 58.87 55.21 1aw0 n SER 71 Cb 0.48 0.08 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1aw0 n SER 71 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14