#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aw0 s THR 2 N 0.00 1.75 0.34 1.96 -4.23 -1.26 -3.98 115.64 110.21 2aw0 s THR 2 Ca 0.00 -1.79 0.09 0.00 -1.18 0.00 0.00 61.69 58.82 2aw0 s THR 2 Cb 0.00 -2.19 -0.06 0.00 1.34 0.00 0.00 72.50 71.59 2aw0 s THR 2 CO 0.00 -0.45 -0.03 -1.10 -0.54 0.00 0.00 174.62 172.50 2aw0 s GLN 3 N 1.21 1.99 0.04 3.99 -1.52 -0.48 -4.99 119.66 119.90 2aw0 s GLN 3 Ca 0.05 -1.80 0.04 0.00 -1.95 0.00 0.00 55.36 51.70 2aw0 s GLN 3 Cb -0.19 -1.86 -0.02 0.00 -0.22 0.00 0.00 33.01 30.72 2aw0 s GLN 3 CO -0.12 0.15 -0.11 -2.00 -0.25 0.00 0.00 175.29 172.97 2aw0 s GLU 4 N -3.67 0.71 0.01 2.91 2.12 -1.26 -0.95 118.70 118.55 2aw0 s GLU 4 Ca 0.34 -0.70 0.00 0.00 0.36 0.00 0.00 54.97 54.98 2aw0 s GLU 4 Cb 0.00 -0.63 -0.01 0.00 0.26 0.00 0.00 34.13 33.76 2aw0 s GLU 4 CO 0.18 0.15 -0.02 -0.08 -0.54 0.00 0.00 175.26 174.95 2aw0 s THR 5 N -0.97 0.14 -0.39 -1.70 -1.32 -0.55 -5.02 115.64 105.84 2aw0 s THR 5 Ca -0.03 -0.27 -0.03 0.00 -1.21 0.00 0.00 61.69 60.15 2aw0 s THR 5 Cb -0.08 -0.17 0.10 0.00 -1.51 0.00 0.00 72.50 70.84 2aw0 s THR 5 CO 0.01 -0.08 0.17 -0.69 -2.21 0.00 0.00 174.62 171.82 2aw0 s VAL 6 N -0.36 3.33 -0.37 5.08 1.01 -1.26 -1.35 120.40 126.48 2aw0 s VAL 6 Ca -0.03 -1.86 -0.14 0.00 0.00 0.00 0.00 61.98 59.95 2aw0 s VAL 6 Cb -0.03 -3.19 -0.00 0.00 0.00 0.00 0.00 36.38 33.16 2aw0 s VAL 6 CO -0.00 -0.56 0.27 -0.63 0.00 0.00 0.00 175.10 174.17 2aw0 s ILE 7 N 1.19 5.27 0.03 2.22 1.01 -0.31 -1.10 121.20 129.52 2aw0 s ILE 7 Ca 0.05 -0.41 -0.30 0.00 0.00 0.00 0.00 60.65 59.99 2aw0 s ILE 7 Cb -0.22 -3.81 -0.07 0.00 0.01 0.00 0.00 42.46 38.36 2aw0 s ILE 7 CO -0.03 -0.14 1.62 0.20 0.00 0.00 0.00 174.94 176.59 2aw0 s ASN 8 N 1.70 6.65 -0.18 3.58 0.01 0.64 -0.44 114.94 126.91 2aw0 s ASN 8 Ca 0.06 2.37 -0.03 0.00 -0.71 0.00 0.00 52.86 54.55 2aw0 s ASN 8 Cb -0.18 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 38.91 2aw0 s ASN 8 CO 0.10 -0.88 -0.06 -0.63 -1.51 0.00 0.00 177.10 174.13 2aw0 s ILE 9 N 3.00 3.50 0.07 0.60 1.01 -0.72 -1.82 121.20 126.83 2aw0 s ILE 9 Ca 0.73 -0.48 0.04 0.00 0.00 0.00 0.00 60.65 60.94 2aw0 s ILE 9 Cb -0.37 -2.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.53 2aw0 s ILE 9 CO 0.31 0.47 -0.13 -0.62 0.00 0.00 0.00 174.94 174.97 2aw0 s ASP 10 N 0.82 1.54 0.00 3.58 2.15 -0.79 -4.27 116.67 119.70 2aw0 s ASP 10 Ca -0.02 -0.65 0.00 0.00 0.43 0.00 0.00 52.55 52.31 2aw0 s ASP 10 Cb -0.15 -0.03 0.00 0.00 -0.30 0.00 0.00 42.92 42.44 2aw0 s ASP 10 CO 0.01 -0.13 0.00 0.61 -0.17 0.00 0.00 175.17 175.49 2aw0 n GLY 11 N 1.14 1.10 3.83 2.66 0.00 -1.26 -0.95 105.19 111.71 2aw0 n GLY 11 Ca -0.20 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 2aw0 n GLY 11 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2aw0 s MET 12 N -2.19 4.08 -0.09 1.61 -1.94 -1.26 -4.88 119.30 114.64 2aw0 s MET 12 Ca 0.00 0.63 -0.17 0.00 -1.71 0.00 0.00 55.69 54.44 2aw0 s MET 12 Cb 0.00 -2.92 -0.28 0.00 2.01 0.00 0.00 34.83 33.63 2aw0 s MET 12 CO 0.00 0.46 0.63 1.79 -0.01 0.00 0.00 175.02 177.89 2aw0 h THR 13 N 2.81 1.13 -2.37 2.05 1.35 -1.99 -3.50 112.91 112.39 2aw0 h THR 13 Ca -0.48 -2.44 0.03 0.00 -0.55 0.00 0.00 66.41 62.97 2aw0 h THR 13 Cb 1.19 2.82 -0.00 0.00 -1.73 0.00 0.00 68.15 70.43 2aw0 h THR 13 CO 0.65 0.71 0.23 0.00 -0.25 0.00 0.00 175.52 176.86 2aw0 h ASN 15 N 1.10 0.00 -0.41 0.00 -1.07 -2.01 -2.67 115.58 110.52 2aw0 h ASN 15 Ca -0.17 0.00 0.03 0.00 0.07 0.00 0.00 56.30 56.22 2aw0 h ASN 15 Cb 0.68 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.91 2aw0 h ASN 15 CO 0.22 0.04 0.27 0.77 0.07 0.00 0.00 177.43 178.81 2aw0 h SER 16 N 0.00 0.40 0.59 6.14 4.64 -1.99 -0.94 113.55 122.39 2aw0 h SER 16 Ca -0.00 -0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 2aw0 h SER 16 Cb 0.09 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 62.09 2aw0 h SER 16 CO 0.01 0.28 -0.29 0.00 -0.87 0.00 0.00 176.83 175.96 2aw0 h VAL 18 N -0.84 0.73 0.07 0.00 2.07 -1.54 0.16 116.25 116.89 2aw0 h VAL 18 Ca -0.08 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.37 2aw0 h VAL 18 Cb 0.63 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2aw0 h VAL 18 CO 0.13 0.05 -0.18 -0.61 0.02 0.00 0.00 177.57 176.98 2aw0 h GLN 19 N 0.26 -0.32 0.07 1.57 -0.00 -1.14 -1.52 115.11 114.03 2aw0 h GLN 19 Ca 0.26 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.93 2aw0 h GLN 19 Cb 0.34 0.07 -0.01 0.00 0.00 0.00 0.00 27.48 27.89 2aw0 h GLN 19 CO -0.32 -0.21 -0.07 1.03 0.00 0.00 0.00 178.83 179.26 2aw0 h SER 20 N -0.33 -0.18 -0.16 -0.69 0.87 -0.44 -0.94 113.55 111.68 2aw0 h SER 20 Ca 0.03 0.02 0.05 0.00 -1.23 0.00 0.00 61.79 60.66 2aw0 h SER 20 Cb 0.36 0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 62.33 2aw0 h SER 20 CO -0.12 -0.11 -0.23 0.40 -0.53 0.00 0.00 176.83 176.24 2aw0 h ILE 21 N -0.15 0.43 -0.03 2.23 2.04 -0.95 -0.77 117.51 120.31 2aw0 h ILE 21 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.90 2aw0 h ILE 21 Cb 0.15 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 2aw0 h ILE 21 CO -0.02 0.00 -0.21 -0.08 0.00 0.00 0.00 178.15 177.84 2aw0 h GLU 22 N -0.28 -0.31 -0.17 2.37 4.81 -1.06 -1.22 114.58 118.72 2aw0 h GLU 22 Ca 0.11 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.41 2aw0 h GLU 22 Cb 0.44 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.84 2aw0 h GLU 22 CO -0.32 -0.20 -0.15 0.78 -0.73 0.00 0.00 179.01 178.38 2aw0 h GLY 23 N -0.32 -0.04 0.90 1.92 0.00 -0.79 -0.72 103.07 104.02 2aw0 h GLY 23 Ca 0.07 0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.58 2aw0 h GLY 23 CO -0.21 -0.15 -0.13 -2.08 0.00 0.00 0.00 176.54 173.97 2aw0 h VAL 24 N -0.17 0.72 -0.68 4.60 2.07 -0.98 -3.05 116.25 118.77 2aw0 h VAL 24 Ca 0.11 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.60 2aw0 h VAL 24 Cb 0.33 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 2aw0 h VAL 24 CO -0.27 0.00 0.31 0.40 0.02 0.00 0.00 177.57 178.03 2aw0 h ILE 25 N -0.31 1.22 -0.75 4.57 2.04 -1.00 -2.37 117.51 120.91 2aw0 h ILE 25 Ca -0.01 -0.64 0.22 0.00 1.00 0.00 0.00 64.86 65.42 2aw0 h ILE 25 Cb 0.27 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 2aw0 h ILE 25 CO -0.00 0.27 0.55 0.28 0.00 0.00 0.00 178.15 179.25 2aw0 h SER 26 N 0.96 0.00 0.45 1.72 0.02 -1.01 -1.36 113.55 114.33 2aw0 h SER 26 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2aw0 h SER 26 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2aw0 h SER 26 CO -0.03 0.00 -0.38 0.29 -1.14 0.00 0.00 176.83 175.57 2aw0 n LYS 27 N -4.25 0.27 -2.44 3.45 5.02 -0.89 -4.87 118.16 114.44 2aw0 n LYS 27 Ca 0.15 -0.15 -0.41 0.00 -2.02 0.00 0.00 58.31 55.89 2aw0 n LYS 27 Cb 0.83 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 34.31 2aw0 n LYS 27 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2aw0 s LYS 28 N -2.83 4.59 0.17 1.97 1.02 -0.51 -4.98 119.74 119.16 2aw0 s LYS 28 Ca 0.16 1.82 -0.31 0.00 0.02 0.00 0.00 55.97 57.66 2aw0 s LYS 28 Cb 0.18 -3.21 -0.09 0.00 -0.52 0.00 0.00 37.83 34.19 2aw0 s LYS 28 CO 0.63 0.11 1.46 -1.25 -0.92 0.00 0.00 175.35 175.38 2aw0 s PRO 29 N -1.03 4.27 0.00 -1.68 0.04 -1.26 -2.40 135.00 132.93 2aw0 s PRO 29 Ca 0.47 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.74 2aw0 s PRO 29 Cb -0.32 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.04 2aw0 s PRO 29 CO 0.40 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 177.36 2aw0 n GLY 30 N 3.25 3.00 3.75 0.56 0.00 -1.26 -3.87 105.19 110.61 2aw0 n GLY 30 Ca 0.11 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 2aw0 n GLY 30 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aw0 s VAL 31 N -0.65 2.78 0.00 1.61 1.01 -1.01 -1.27 120.40 122.87 2aw0 s VAL 31 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.65 2aw0 s VAL 31 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.95 2aw0 s VAL 31 CO 0.00 0.11 0.00 0.29 0.00 0.00 0.00 175.10 175.50 2aw0 n LYS 32 N 2.17 0.00 -3.19 2.72 5.02 -0.20 -4.93 118.16 119.74 2aw0 n LYS 32 Ca 0.06 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.06 2aw0 n LYS 32 Cb 0.41 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.39 2aw0 n LYS 32 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2aw0 s SER 33 N 0.15 6.47 -0.07 4.39 1.04 -1.25 -4.97 113.70 119.46 2aw0 s SER 33 Ca 0.00 0.84 -0.15 0.00 0.48 0.00 0.00 55.95 57.12 2aw0 s SER 33 Cb 0.00 -2.20 0.03 0.00 0.10 0.00 0.00 66.02 63.95 2aw0 s SER 33 CO 0.00 -0.26 0.36 -0.51 0.98 0.00 0.00 173.24 173.81 2aw0 s ILE 34 N -2.17 0.03 -0.20 -1.02 2.07 -1.26 -1.32 121.20 117.33 2aw0 s ILE 34 Ca 0.46 -0.26 -0.05 0.00 -1.41 0.00 0.00 60.65 59.39 2aw0 s ILE 34 Cb -0.11 -0.61 0.07 0.00 0.13 0.00 0.00 42.46 41.95 2aw0 s ILE 34 CO 0.30 -0.14 0.10 -0.60 -1.91 0.00 0.00 174.94 172.69 2aw0 s ARG 35 N -0.73 0.09 -0.18 3.50 6.06 -0.40 -5.02 118.95 122.27 2aw0 s ARG 35 Ca -0.08 -0.17 -0.11 0.00 -2.50 0.00 0.00 55.73 52.87 2aw0 s ARG 35 Cb -0.04 -1.68 -0.05 0.00 0.06 0.00 0.00 34.95 33.24 2aw0 s ARG 35 CO 0.03 -0.74 0.20 0.08 -2.50 0.00 0.00 175.30 172.37 2aw0 s VAL 36 N 2.14 5.37 -0.08 7.11 1.01 -1.26 -1.01 120.40 133.68 2aw0 s VAL 36 Ca 0.04 0.34 0.03 0.00 0.00 0.00 0.00 61.98 62.39 2aw0 s VAL 36 Cb -0.16 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.69 2aw0 s VAL 36 CO -0.15 0.43 -0.18 -0.55 0.00 0.00 0.00 175.10 174.65 2aw0 s SER 37 N 0.32 2.38 -0.03 3.32 0.15 -0.33 -4.92 113.70 114.59 2aw0 s SER 37 Ca 0.12 -0.41 -0.25 0.00 0.70 0.00 0.00 55.95 56.11 2aw0 s SER 37 Cb -0.12 -1.03 -0.21 0.00 -1.71 0.00 0.00 66.02 62.96 2aw0 s SER 37 CO 0.01 0.10 1.16 0.25 1.20 0.00 0.00 173.24 175.97 2aw0 h LEU 38 N 6.75 0.15 -0.46 3.45 5.85 -1.96 -1.06 115.31 128.03 2aw0 h LEU 38 Ca -0.26 -0.62 0.07 0.00 0.84 0.00 0.00 57.88 57.90 2aw0 h LEU 38 Cb 1.21 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.13 2aw0 h LEU 38 CO 0.47 0.74 0.12 0.00 -0.34 0.00 0.00 178.44 179.44 2aw0 h ALA 39 N 0.41 0.52 -0.00 1.25 0.00 -1.97 -1.58 119.26 117.88 2aw0 h ALA 39 Ca -0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2aw0 h ALA 39 Cb 0.73 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2aw0 h ALA 39 CO 0.02 -0.28 -0.35 0.09 0.00 0.00 0.00 179.25 178.73 2aw0 n ASN 40 N -5.06 0.69 -3.64 0.00 4.13 -1.25 -4.98 115.26 105.14 2aw0 n ASN 40 Ca 0.04 -0.51 -0.23 0.00 1.68 0.00 0.00 54.58 55.56 2aw0 n ASN 40 Cb 0.20 0.15 0.04 0.00 -1.54 0.00 0.00 39.78 38.63 2aw0 n ASN 40 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2aw0 n SER 41 N -1.11 -2.97 -3.87 6.41 7.64 -0.46 -4.94 113.62 114.32 2aw0 n SER 41 Ca 0.09 -0.87 -0.07 0.00 1.01 0.00 0.00 58.87 59.03 2aw0 n SER 41 Cb 0.34 -3.99 -0.02 0.00 -1.01 0.00 0.00 64.21 59.52 2aw0 n SER 41 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2aw0 s ASN 42 N -4.00 -0.25 -0.27 6.43 2.20 -0.82 -1.76 114.94 116.48 2aw0 s ASN 42 Ca 0.19 -0.63 0.02 0.00 -0.94 0.00 0.00 52.86 51.49 2aw0 s ASN 42 Cb -0.05 0.72 0.07 0.00 -2.00 0.00 0.00 41.25 39.98 2aw0 s ASN 42 CO 0.82 -1.33 -0.03 -0.83 -2.94 0.00 0.00 177.10 172.79 2aw0 s GLY 43 N -2.93 1.44 -0.66 0.45 0.00 0.41 -1.18 107.32 104.86 2aw0 s GLY 43 Ca 0.12 -1.67 -0.16 0.00 0.00 0.00 0.00 44.72 43.01 2aw0 s GLY 43 CO 0.07 0.95 0.66 -1.59 0.00 0.00 0.00 173.10 173.18 2aw0 s THR 44 N 1.28 5.26 -0.17 0.90 2.01 -0.18 -1.16 115.64 123.57 2aw0 s THR 44 Ca -0.02 -1.75 -0.04 0.00 0.31 0.00 0.00 61.69 60.20 2aw0 s THR 44 Cb -0.19 -4.43 -0.02 0.00 0.01 0.00 0.00 72.50 67.87 2aw0 s THR 44 CO -0.08 -1.00 -0.03 -0.69 -0.69 0.00 0.00 174.62 172.13 2aw0 s VAL 45 N 1.35 3.84 -0.17 3.82 1.01 -0.46 -1.28 120.40 128.51 2aw0 s VAL 45 Ca 0.11 -0.37 -0.12 0.00 0.00 0.00 0.00 61.98 61.60 2aw0 s VAL 45 Cb -0.21 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 2aw0 s VAL 45 CO -0.01 0.47 0.22 -1.61 0.00 0.00 0.00 175.10 174.17 2aw0 s GLU 46 N 0.65 4.18 0.25 2.72 2.02 -0.44 -1.49 118.70 126.60 2aw0 s GLU 46 Ca -0.02 -0.04 -0.11 0.00 0.02 0.00 0.00 54.97 54.82 2aw0 s GLU 46 Cb -0.14 -3.41 -0.01 0.00 0.10 0.00 0.00 34.13 30.67 2aw0 s GLU 46 CO 0.02 0.30 0.44 1.52 0.02 0.00 0.00 175.26 177.56 2aw0 s TYR 47 N 0.33 0.51 -0.31 1.61 1.13 -0.13 -1.03 117.35 119.45 2aw0 s TYR 47 Ca 0.13 -0.85 -0.09 0.00 -1.41 0.00 0.00 57.07 54.86 2aw0 s TYR 47 Cb -0.12 0.09 0.00 0.00 -1.10 0.00 0.00 41.96 40.83 2aw0 s TYR 47 CO 0.02 -0.97 0.13 0.34 -2.51 0.00 0.00 175.55 172.55 2aw0 s ASP 48 N -3.05 5.39 0.42 -0.18 -1.08 -0.40 -1.38 116.67 116.39 2aw0 s ASP 48 Ca 0.25 -0.66 0.26 0.00 -0.52 0.00 0.00 52.55 51.88 2aw0 s ASP 48 Cb 0.00 -1.95 1.31 0.00 -1.46 0.00 0.00 42.92 40.82 2aw0 s ASP 48 CO 0.10 -0.22 1.67 -0.65 0.52 0.00 0.00 175.17 176.60 2aw0 h PRO 49 N 8.31 0.18 -0.16 4.34 0.11 -1.80 -1.53 132.00 141.44 2aw0 h PRO 49 Ca -0.31 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.73 2aw0 h PRO 49 Cb 1.13 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2aw0 h PRO 49 CO 0.62 0.12 -0.16 -0.07 -0.21 0.00 0.00 178.00 178.29 2aw0 h LEU 50 N 0.18 0.26 0.00 2.35 3.38 -1.95 -3.32 115.31 116.21 2aw0 h LEU 50 Ca 0.75 -0.06 -0.21 0.00 0.09 0.00 0.00 57.88 58.45 2aw0 h LEU 50 Cb 2.21 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 42.85 2aw0 h LEU 50 CO -0.39 0.44 -1.81 0.18 0.09 0.00 0.00 178.44 176.95 2aw0 n LEU 51 N -4.23 0.00 -4.08 1.67 4.77 -0.70 -5.05 117.00 109.37 2aw0 n LEU 51 Ca -0.01 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 2aw0 n LEU 51 Cb 0.30 0.28 -0.05 0.00 -2.33 0.00 0.00 43.42 41.62 2aw0 n LEU 51 CO 0.39 0.28 0.11 0.28 -1.33 0.00 0.00 177.39 177.12 2aw0 s THR 52 N -2.31 0.00 0.14 -5.08 -1.32 -0.66 -4.73 115.64 101.67 2aw0 s THR 52 Ca -0.06 -1.59 -0.08 0.00 -1.21 0.00 0.00 61.69 58.74 2aw0 s THR 52 Cb 0.04 -2.51 -0.01 0.00 -1.51 0.00 0.00 72.50 68.51 2aw0 s THR 52 CO 0.49 0.00 0.24 -0.94 -2.21 0.00 0.00 174.62 172.20 2aw0 s SER 53 N -3.17 0.08 0.27 8.08 1.04 -1.26 -3.63 113.70 115.11 2aw0 s SER 53 Ca 0.29 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.92 2aw0 s SER 53 Cb 0.00 0.39 0.57 0.00 0.10 0.00 0.00 66.02 67.09 2aw0 s SER 53 CO 0.16 -0.83 1.77 -0.65 0.98 0.00 0.00 173.24 174.67 2aw0 h PRO 54 N 2.63 0.64 -0.49 4.02 0.11 -1.99 -1.54 132.00 135.39 2aw0 h PRO 54 Ca -0.33 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.62 2aw0 h PRO 54 Cb 1.22 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 2aw0 h PRO 54 CO 0.52 0.43 -0.18 0.93 -0.21 0.00 0.00 178.00 179.48 2aw0 h GLU 55 N 0.66 0.99 0.03 1.05 5.08 -1.98 -0.08 114.58 120.33 2aw0 h GLU 55 Ca 0.49 -0.40 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2aw0 h GLU 55 Cb 0.69 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.90 2aw0 h GLU 55 CO -0.36 1.08 -0.02 1.15 -1.00 0.00 0.00 179.01 179.86 2aw0 h THR 56 N 0.86 1.03 -0.19 1.13 2.02 -1.82 -0.35 112.91 115.59 2aw0 h THR 56 Ca 0.12 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.11 2aw0 h THR 56 Cb 0.75 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 2aw0 h THR 56 CO 0.06 0.05 0.12 -0.07 0.37 0.00 0.00 175.52 176.05 2aw0 h LEU 57 N -0.13 0.22 -0.21 2.58 3.38 -1.21 -0.59 115.31 119.35 2aw0 h LEU 57 Ca -0.00 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.00 2aw0 h LEU 57 Cb 0.11 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 2aw0 h LEU 57 CO 0.01 0.17 -0.13 -0.09 0.09 0.00 0.00 178.44 178.49 2aw0 h ARG 58 N 0.25 -0.11 -0.64 1.13 2.43 -0.98 -1.52 114.38 114.94 2aw0 h ARG 58 Ca 0.07 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.32 2aw0 h ARG 58 Cb -0.02 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.50 2aw0 h ARG 58 CO -0.01 -0.07 0.31 0.78 -1.51 0.00 0.00 179.97 179.46 2aw0 h GLY 59 N -0.12 0.93 0.93 2.80 0.00 -0.70 -0.32 103.07 106.59 2aw0 h GLY 59 Ca 0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 2aw0 h GLY 59 CO -0.28 0.08 0.13 0.00 0.00 0.00 0.00 176.54 176.47 2aw0 h ALA 60 N 1.38 0.35 -0.89 3.60 0.00 -0.70 0.25 119.26 123.24 2aw0 h ALA 60 Ca 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2aw0 h ALA 60 Cb 0.28 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2aw0 h ALA 60 CO -0.23 -0.09 0.50 0.82 0.00 0.00 0.00 179.25 180.25 2aw0 h ILE 61 N 0.31 1.25 -0.66 0.00 2.04 -0.91 -0.23 117.51 119.31 2aw0 h ILE 61 Ca 0.09 -0.60 -0.07 0.00 1.00 0.00 0.00 64.86 65.28 2aw0 h ILE 61 Cb 0.11 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.20 2aw0 h ILE 61 CO -0.01 0.28 0.15 -0.08 0.00 0.00 0.00 178.15 178.49 2aw0 h GLU 62 N 1.24 1.07 -0.52 2.37 4.57 -0.75 -1.54 114.58 121.02 2aw0 h GLU 62 Ca 0.31 -0.26 -0.04 0.00 -1.18 0.00 0.00 59.36 58.19 2aw0 h GLU 62 Cb 0.00 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 2aw0 h GLU 62 CO -0.05 0.96 0.16 0.22 -1.18 0.00 0.00 179.01 179.12 2aw0 h ASP 63 N 0.99 0.75 -0.90 1.04 3.58 -0.46 -2.48 116.42 118.94 2aw0 h ASP 63 Ca 0.21 -0.21 0.08 0.00 0.42 0.00 0.00 57.03 57.53 2aw0 h ASP 63 Cb 0.38 -0.20 -0.07 0.00 1.72 0.00 0.00 39.33 41.17 2aw0 h ASP 63 CO 0.00 0.76 0.55 0.24 -2.88 0.00 0.00 179.24 177.91 2aw0 h MET 64 N 0.70 0.92 0.00 0.28 2.86 -0.87 -3.47 114.93 115.36 2aw0 h MET 64 Ca 0.17 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2aw0 h MET 64 Cb 0.27 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.73 2aw0 h MET 64 CO -0.01 0.61 0.00 0.41 1.06 0.00 0.00 176.91 178.98 2aw0 n GLY 65 N -1.33 0.72 2.95 8.32 0.00 -0.62 -5.10 105.19 110.13 2aw0 n GLY 65 Ca 0.14 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 2aw0 n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2aw0 s PHE 66 N 0.00 0.13 -0.58 1.61 0.08 -0.97 -4.96 117.98 113.29 2aw0 s PHE 66 Ca 0.00 -0.26 -0.27 0.00 0.12 0.00 0.00 56.93 56.53 2aw0 s PHE 66 Cb 0.00 -0.10 -0.03 0.00 -0.57 0.00 0.00 43.02 42.33 2aw0 s PHE 66 CO 0.00 -0.12 1.91 -0.51 -0.10 0.00 0.00 175.22 176.40 2aw0 s ASP 67 N -0.81 5.24 -0.26 1.36 1.01 -0.12 -3.75 116.67 119.33 2aw0 s ASP 67 Ca -0.09 0.49 -0.09 0.00 0.71 0.00 0.00 52.55 53.56 2aw0 s ASP 67 Cb -0.06 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 2aw0 s ASP 67 CO -0.00 -2.37 0.14 0.00 0.21 0.00 0.00 175.17 173.14 2aw0 s ALA 68 N 9.20 3.39 -0.04 5.23 0.00 -1.26 -1.89 121.76 136.40 2aw0 s ALA 68 Ca 0.71 -1.08 -0.03 0.00 0.00 0.00 0.00 51.96 51.56 2aw0 s ALA 68 Cb -0.14 -2.30 0.02 0.00 0.00 0.00 0.00 23.12 20.69 2aw0 s ALA 68 CO 0.22 -0.48 0.09 0.95 0.00 0.00 0.00 175.76 176.54 2aw0 s THR 69 N 1.62 -0.01 0.24 0.00 -4.23 -0.76 -4.97 115.64 107.53 2aw0 s THR 69 Ca 0.07 0.05 -0.30 0.00 -1.18 0.00 0.00 61.69 60.33 2aw0 s THR 69 Cb -0.15 -0.14 -0.09 0.00 1.34 0.00 0.00 72.50 73.46 2aw0 s THR 69 CO 0.08 0.02 1.13 -0.76 -0.54 0.00 0.00 174.62 174.55 2aw0 s LEU 70 N 0.35 4.51 -0.01 4.79 1.43 -1.26 -0.26 118.68 128.23 2aw0 s LEU 70 Ca -0.03 2.25 -0.20 0.00 -1.03 0.00 0.00 54.13 55.12 2aw0 s LEU 70 Cb -0.04 -3.62 -0.27 0.00 0.03 0.00 0.00 46.19 42.29 2aw0 s LEU 70 CO -0.01 -0.23 1.03 0.28 0.23 0.00 0.00 176.35 177.64 2aw0 h SER 71 N 4.40 0.56 0.00 2.29 0.02 -1.49 -3.46 113.55 115.87 2aw0 h SER 71 Ca -0.46 -0.84 0.00 0.00 -0.84 0.00 0.00 61.79 59.65 2aw0 h SER 71 Cb 1.21 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.58 2aw0 h SER 71 CO 0.70 1.34 0.00 0.47 -1.14 0.00 0.00 176.83 178.20