#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 3.75 0.16 -5.08 -4.23 -1.26 -4.45 115.64 104.53 2aw0 s THR 2 Ca 0.00 -0.97 0.02 0.00 -1.18 0.00 0.00 61.69 59.57 2aw0 s THR 2 Cb 0.00 -3.29 -0.05 0.00 1.34 0.00 0.00 72.50 70.50 2aw0 s THR 2 CO 0.00 -0.12 -0.03 -1.10 -0.54 0.00 0.00 174.62 172.83 2aw0 s GLN 3 N -4.25 1.06 0.05 3.99 -0.21 -0.29 -4.97 119.66 115.04 2aw0 s GLN 3 Ca 0.48 -1.49 0.07 0.00 0.02 0.00 0.00 55.36 54.44 2aw0 s GLN 3 Cb -0.10 -0.34 -0.03 0.00 1.00 0.00 0.00 33.01 33.55 2aw0 s GLN 3 CO 0.32 -0.07 -0.20 -2.00 -2.12 0.00 0.00 175.29 171.22 2aw0 s GLU 4 N -3.87 1.30 -0.01 2.91 2.12 -1.26 -1.22 118.70 118.67 2aw0 s GLU 4 Ca 0.20 -0.94 -0.04 0.00 0.36 0.00 0.00 54.97 54.56 2aw0 s GLU 4 Cb 0.05 -1.42 0.00 0.00 0.26 0.00 0.00 34.13 33.03 2aw0 s GLU 4 CO 0.02 0.36 0.08 -0.08 -0.54 0.00 0.00 175.26 175.10 2aw0 s THR 5 N -0.85 0.05 -0.16 -1.70 -1.32 -0.54 -5.02 115.64 106.11 2aw0 s THR 5 Ca 0.07 -0.43 -0.05 0.00 -1.21 0.00 0.00 61.69 60.06 2aw0 s THR 5 Cb -0.09 -0.27 -0.03 0.00 -1.51 0.00 0.00 72.50 70.60 2aw0 s THR 5 CO 0.02 -0.24 0.01 -0.69 -2.21 0.00 0.00 174.62 171.51 2aw0 s VAL 6 N -0.76 4.33 -0.11 5.08 1.01 -1.26 -0.82 120.40 127.87 2aw0 s VAL 6 Ca -0.08 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.71 2aw0 s VAL 6 Cb -0.05 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.43 2aw0 s VAL 6 CO 0.00 0.49 -0.15 -0.63 0.00 0.00 0.00 175.10 174.82 2aw0 s ILE 7 N 0.24 1.46 0.09 2.22 1.01 -0.46 -1.50 121.20 124.27 2aw0 s ILE 7 Ca 0.00 -0.62 -0.31 0.00 0.00 0.00 0.00 60.65 59.73 2aw0 s ILE 7 Cb -0.13 -1.34 -0.07 0.00 0.01 0.00 0.00 42.46 40.93 2aw0 s ILE 7 CO 0.02 0.43 1.37 0.20 0.00 0.00 0.00 174.94 176.96 2aw0 s ASN 8 N 1.02 6.86 -0.30 3.58 0.01 0.51 -0.90 114.94 125.72 2aw0 s ASN 8 Ca -0.06 2.26 0.03 0.00 -0.71 0.00 0.00 52.86 54.38 2aw0 s ASN 8 Cb -0.15 -2.58 0.08 0.00 0.41 0.00 0.00 41.25 39.02 2aw0 s ASN 8 CO -0.02 -0.64 -0.00 -0.63 -1.51 0.00 0.00 177.10 174.30 2aw0 s ILE 9 N 1.27 2.05 0.07 0.60 1.01 -0.20 -1.47 121.20 124.53 2aw0 s ILE 9 Ca 0.64 -1.95 0.00 0.00 0.00 0.00 0.00 60.65 59.34 2aw0 s ILE 9 Cb -0.35 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 2aw0 s ILE 9 CO 0.30 -0.40 0.22 -0.62 0.00 0.00 0.00 174.94 174.44 2aw0 s ASP 10 N 1.07 6.36 0.00 3.58 2.15 -0.46 -4.07 116.67 125.30 2aw0 s ASP 10 Ca 0.04 0.25 0.00 0.00 0.43 0.00 0.00 52.55 53.27 2aw0 s ASP 10 Cb -0.19 -1.95 0.00 0.00 -0.30 0.00 0.00 42.92 40.48 2aw0 s ASP 10 CO -0.08 0.15 0.00 0.61 -0.17 0.00 0.00 175.17 175.68 2aw0 n GLY 11 N 0.15 1.04 3.57 2.66 0.00 -1.26 -1.24 105.19 110.12 2aw0 n GLY 11 Ca -0.05 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.83 3.61 -0.10 1.61 -1.94 -1.26 -4.94 119.30 114.45 2aw0 s MET 12 Ca 0.00 0.24 -0.19 0.00 -1.71 0.00 0.00 55.69 54.03 2aw0 s MET 12 Cb 0.00 -3.89 -0.27 0.00 2.01 0.00 0.00 34.83 32.68 2aw0 s MET 12 CO 0.00 -1.10 0.62 1.79 -0.01 0.00 0.00 175.02 176.32 2aw0 h THR 13 N 5.97 1.19 -3.09 2.05 1.35 -1.99 -3.50 112.91 114.89 2aw0 h THR 13 Ca -0.24 -2.41 -0.05 0.00 -0.55 0.00 0.00 66.41 63.16 2aw0 h THR 13 Cb 1.08 2.84 0.00 0.00 -1.73 0.00 0.00 68.15 70.34 2aw0 h THR 13 CO 0.99 0.67 0.24 0.00 -0.25 0.00 0.00 175.52 177.18 2aw0 h ASN 15 N 2.00 0.00 -0.93 0.00 -0.73 -2.01 -1.77 115.58 112.14 2aw0 h ASN 15 Ca -0.33 0.00 0.16 0.00 1.87 0.00 0.00 56.30 58.00 2aw0 h ASN 15 Cb 1.25 0.00 -0.10 0.00 0.27 0.00 0.00 38.32 39.74 2aw0 h ASN 15 CO 0.42 0.00 0.53 0.28 -0.37 0.00 0.00 177.43 178.30 2aw0 h SER 16 N 0.00 0.69 -0.24 1.15 0.02 -1.99 -0.97 113.55 112.21 2aw0 h SER 16 Ca 0.17 0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.18 2aw0 h SER 16 Cb 0.70 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 2aw0 h SER 16 CO -0.00 0.28 0.05 0.00 -1.14 0.00 0.00 176.83 176.02 2aw0 h VAL 18 N 0.21 0.32 0.02 0.00 2.07 -1.39 -0.32 116.25 117.15 2aw0 h VAL 18 Ca 0.08 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.62 2aw0 h VAL 18 Cb 0.30 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 2aw0 h VAL 18 CO 0.00 0.00 -0.14 -0.61 0.02 0.00 0.00 177.57 176.84 2aw0 h GLN 19 N -0.46 -0.23 0.59 1.57 4.15 -1.17 -1.40 115.11 118.16 2aw0 h GLN 19 Ca 0.06 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 2aw0 h GLN 19 Cb 0.55 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.29 2aw0 h GLN 19 CO -0.26 -0.16 -0.33 0.77 -1.93 0.00 0.00 178.83 176.92 2aw0 h SER 20 N -0.24 -0.82 -0.04 -0.69 0.02 -0.85 -1.18 113.55 109.76 2aw0 h SER 20 Ca 0.04 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 61.06 2aw0 h SER 20 Cb 0.29 0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 2aw0 h SER 20 CO -0.13 -0.53 -0.14 0.40 -1.14 0.00 0.00 176.83 175.29 2aw0 h ILE 21 N -0.86 0.65 0.12 3.27 2.04 -1.06 -0.58 117.51 121.09 2aw0 h ILE 21 Ca -0.07 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.80 2aw0 h ILE 21 Cb 0.69 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 2aw0 h ILE 21 CO 0.10 0.00 -0.21 -0.08 0.00 0.00 0.00 178.15 177.96 2aw0 h GLU 22 N -0.22 -0.38 0.45 2.37 4.81 -1.17 -0.61 114.58 119.83 2aw0 h GLU 22 Ca 0.06 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 2aw0 h GLU 22 Cb 0.30 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2aw0 h GLU 22 CO -0.16 -0.26 -0.22 0.78 -0.73 0.00 0.00 179.01 178.42 2aw0 h GLY 23 N -0.40 -0.64 0.87 1.92 0.00 -1.09 -2.34 103.07 101.38 2aw0 h GLY 23 Ca 0.02 0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.57 2aw0 h GLY 23 CO -0.11 -0.24 -0.23 -2.08 0.00 0.00 0.00 176.54 173.89 2aw0 h VAL 24 N -0.62 0.52 -0.61 4.60 2.07 -1.02 -3.14 116.25 118.04 2aw0 h VAL 24 Ca -0.06 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 2aw0 h VAL 24 Cb 0.48 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 2aw0 h VAL 24 CO 0.09 0.04 0.26 0.40 0.02 0.00 0.00 177.57 178.39 2aw0 h ILE 25 N -0.77 1.21 -0.91 4.57 1.08 -1.20 -1.74 117.51 119.75 2aw0 h ILE 25 Ca -0.06 -0.63 0.21 0.00 -0.39 0.00 0.00 64.86 63.98 2aw0 h ILE 25 Cb 0.55 0.46 -0.07 0.00 -3.07 0.00 0.00 36.82 34.69 2aw0 h ILE 25 CO 0.11 0.26 0.60 -1.28 -0.69 0.00 0.00 178.15 177.14 2aw0 h SER 26 N 0.87 0.42 0.67 1.72 0.87 -1.38 -2.08 113.55 114.64 2aw0 h SER 26 Ca 0.21 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 2aw0 h SER 26 Cb 0.14 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2aw0 h SER 26 CO -0.02 0.16 -0.55 0.29 -0.53 0.00 0.00 176.83 176.18 2aw0 n LYS 27 N -4.52 0.13 -2.29 2.24 5.02 -0.66 -4.41 118.16 113.66 2aw0 n LYS 27 Ca 0.20 0.03 -0.38 0.00 -2.02 0.00 0.00 58.31 56.14 2aw0 n LYS 27 Cb 0.70 -1.58 -0.02 0.00 -0.02 0.00 0.00 35.03 34.11 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 -3.08 4.10 0.32 1.97 1.02 -0.78 -4.95 119.74 118.35 2aw0 s LYS 28 Ca 0.09 1.86 -0.29 0.00 0.02 0.00 0.00 55.97 57.65 2aw0 s LYS 28 Cb 0.16 -2.73 -0.11 0.00 -0.52 0.00 0.00 37.83 34.63 2aw0 s LYS 28 CO 0.70 -0.29 1.48 -1.25 -0.92 0.00 0.00 175.35 175.08 2aw0 s PRO 29 N -2.23 4.18 0.00 -1.68 0.04 -1.26 -2.24 135.00 131.80 2aw0 s PRO 29 Ca 0.56 2.48 0.00 0.00 0.04 0.00 0.00 61.00 64.08 2aw0 s PRO 29 Cb -0.31 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.20 2aw0 s PRO 29 CO 0.40 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 177.35 2aw0 n GLY 30 N 1.29 2.83 3.77 0.56 0.00 -1.26 -4.46 105.19 107.93 2aw0 n GLY 30 Ca 0.04 -0.76 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.78 3.15 0.00 1.61 1.01 -0.95 -1.00 120.40 123.44 2aw0 s VAL 31 Ca 0.00 1.09 0.00 0.00 0.00 0.00 0.00 61.98 63.07 2aw0 s VAL 31 Cb 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.71 2aw0 s VAL 31 CO 0.00 0.21 0.00 0.29 0.00 0.00 0.00 175.10 175.60 2aw0 n LYS 32 N 0.70 0.00 -3.19 2.72 5.02 -0.42 -4.78 118.16 118.21 2aw0 n LYS 32 Ca 0.01 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.02 2aw0 n LYS 32 Cb 0.44 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.43 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 0.29 6.43 -0.15 4.39 1.04 -1.25 -4.75 113.70 119.71 2aw0 s SER 33 Ca 0.00 0.79 -0.12 0.00 0.48 0.00 0.00 55.95 57.10 2aw0 s SER 33 Cb 0.00 -2.18 0.04 0.00 0.10 0.00 0.00 66.02 63.99 2aw0 s SER 33 CO 0.00 -0.28 0.39 -0.51 0.98 0.00 0.00 173.24 173.82 2aw0 s ILE 34 N -2.22 -0.01 -0.37 -1.02 2.07 -1.26 -1.11 121.20 117.29 2aw0 s ILE 34 Ca 0.45 0.03 0.02 0.00 -1.41 0.00 0.00 60.65 59.74 2aw0 s ILE 34 Cb -0.10 -0.56 0.11 0.00 0.13 0.00 0.00 42.46 42.03 2aw0 s ILE 34 CO 0.32 0.01 0.11 -0.13 -1.91 0.00 0.00 174.94 173.34 2aw0 s ARG 35 N 0.54 1.66 0.07 3.50 1.81 -0.18 -4.97 118.95 121.38 2aw0 s ARG 35 Ca -0.03 -1.90 -0.10 0.00 -1.72 0.00 0.00 55.73 51.98 2aw0 s ARG 35 Cb -0.04 -3.33 -0.06 0.00 -0.45 0.00 0.00 34.95 31.07 2aw0 s ARG 35 CO -0.03 -0.99 0.39 0.08 -0.68 0.00 0.00 175.30 174.08 2aw0 s VAL 36 N 0.91 5.10 -0.13 3.52 1.01 -1.26 -1.14 120.40 128.40 2aw0 s VAL 36 Ca 0.11 0.45 -0.05 0.00 0.00 0.00 0.00 61.98 62.49 2aw0 s VAL 36 Cb -0.20 -3.64 0.06 0.00 0.00 0.00 0.00 36.38 32.59 2aw0 s VAL 36 CO -0.07 0.30 0.28 -0.55 0.00 0.00 0.00 175.10 175.06 2aw0 s SER 37 N -1.73 0.15 0.08 3.32 0.15 -0.53 -5.01 113.70 110.12 2aw0 s SER 37 Ca 0.32 0.62 -0.17 0.00 0.70 0.00 0.00 55.95 57.43 2aw0 s SER 37 Cb -0.14 0.69 -0.11 0.00 -1.71 0.00 0.00 66.02 64.75 2aw0 s SER 37 CO 0.18 -0.22 1.38 0.25 1.20 0.00 0.00 173.24 176.02 2aw0 h LEU 38 N 8.01 0.63 -0.61 3.45 6.46 -1.95 -0.77 115.31 130.52 2aw0 h LEU 38 Ca -0.21 -0.49 0.10 0.00 -0.12 0.00 0.00 57.88 57.16 2aw0 h LEU 38 Cb 1.12 -0.18 -0.07 0.00 -0.73 0.00 0.00 40.66 40.80 2aw0 h LEU 38 CO 0.19 0.99 0.21 0.00 -0.62 0.00 0.00 178.44 179.22 2aw0 h ALA 39 N 0.65 0.78 -0.01 1.25 0.00 -1.96 -0.76 119.26 119.21 2aw0 h ALA 39 Ca 0.03 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2aw0 h ALA 39 Cb 0.83 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2aw0 h ALA 39 CO 0.06 -0.21 -0.27 0.09 0.00 0.00 0.00 179.25 178.92 2aw0 n ASN 40 N -5.02 0.91 -3.72 0.00 3.02 -1.24 -4.98 115.26 104.23 2aw0 n ASN 40 Ca 0.09 -0.78 -0.25 0.00 -0.03 0.00 0.00 54.58 53.61 2aw0 n ASN 40 Cb 0.28 0.13 0.03 0.00 -0.61 0.00 0.00 39.78 39.61 2aw0 n ASN 40 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2aw0 n SER 41 N -0.78 -2.64 -3.51 6.41 7.64 -0.29 -4.92 113.62 115.53 2aw0 n SER 41 Ca 0.12 -0.92 -0.08 0.00 1.01 0.00 0.00 58.87 59.00 2aw0 n SER 41 Cb 0.34 -3.70 -0.01 0.00 -1.01 0.00 0.00 64.21 59.84 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 -4.02 -0.14 -0.09 6.43 2.20 -0.45 -1.03 114.94 117.85 2aw0 s ASN 42 Ca 0.18 -0.84 -0.02 0.00 -0.94 0.00 0.00 52.86 51.25 2aw0 s ASN 42 Cb -0.06 0.77 0.03 0.00 -2.00 0.00 0.00 41.25 39.99 2aw0 s ASN 42 CO 0.84 -1.47 0.01 -0.83 -2.94 0.00 0.00 177.10 172.71 2aw0 s GLY 43 N -2.98 0.49 -0.60 0.45 0.00 -0.08 -1.46 107.32 103.13 2aw0 s GLY 43 Ca 0.13 -0.18 -0.16 0.00 0.00 0.00 0.00 44.72 44.52 2aw0 s GLY 43 CO 0.09 1.19 0.57 -1.59 0.00 0.00 0.00 173.10 173.36 2aw0 s THR 44 N 1.97 5.27 -0.18 0.90 2.01 -0.29 -1.35 115.64 123.97 2aw0 s THR 44 Ca 0.04 -1.68 -0.09 0.00 0.31 0.00 0.00 61.69 60.28 2aw0 s THR 44 Cb -0.13 -4.38 -0.05 0.00 0.01 0.00 0.00 72.50 67.96 2aw0 s THR 44 CO -0.06 -0.92 0.12 -0.69 -0.69 0.00 0.00 174.62 172.39 2aw0 s VAL 45 N 1.36 5.33 -0.20 3.82 1.01 0.00 -1.01 120.40 130.71 2aw0 s VAL 45 Ca 0.07 0.16 -0.07 0.00 0.00 0.00 0.00 61.98 62.13 2aw0 s VAL 45 Cb -0.25 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 2aw0 s VAL 45 CO 0.01 0.48 0.05 -1.61 0.00 0.00 0.00 175.10 174.03 2aw0 s GLU 46 N 0.06 3.82 0.23 2.72 8.01 -0.26 -1.47 118.70 131.80 2aw0 s GLU 46 Ca 0.09 -0.42 -0.11 0.00 0.01 0.00 0.00 54.97 54.54 2aw0 s GLU 46 Cb -0.11 -3.21 -0.01 0.00 -4.31 0.00 0.00 34.13 26.49 2aw0 s GLU 46 CO -0.00 0.11 0.42 1.52 0.01 0.00 0.00 175.26 177.31 2aw0 s TYR 47 N 0.79 0.43 -0.32 1.61 1.13 -0.36 -1.30 117.35 119.35 2aw0 s TYR 47 Ca 0.03 -0.78 -0.11 0.00 -1.41 0.00 0.00 57.07 54.80 2aw0 s TYR 47 Cb -0.14 0.08 -0.01 0.00 -1.10 0.00 0.00 41.96 40.80 2aw0 s TYR 47 CO 0.02 -0.92 0.18 0.34 -2.51 0.00 0.00 175.55 172.66 2aw0 s ASP 48 N -3.02 5.71 0.33 -0.18 -1.08 -0.17 -1.14 116.67 117.12 2aw0 s ASP 48 Ca 0.23 -0.47 0.11 0.00 -0.52 0.00 0.00 52.55 51.90 2aw0 s ASP 48 Cb 0.01 -2.05 0.99 0.00 -1.46 0.00 0.00 42.92 40.41 2aw0 s ASP 48 CO 0.08 -0.20 1.66 -0.65 0.52 0.00 0.00 175.17 176.58 2aw0 h PRO 49 N 8.39 0.31 0.00 4.34 0.11 -1.78 -1.41 132.00 141.97 2aw0 h PRO 49 Ca -0.32 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.70 2aw0 h PRO 49 Cb 1.15 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2aw0 h PRO 49 CO 0.62 0.20 -0.34 -0.07 -0.21 0.00 0.00 178.00 178.20 2aw0 h LEU 50 N 0.32 0.00 0.00 2.35 3.38 -1.95 -3.25 115.31 116.16 2aw0 h LEU 50 Ca 0.69 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 58.28 2aw0 h LEU 50 Cb 1.52 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.20 2aw0 h LEU 50 CO -0.61 0.34 -2.41 0.18 0.09 0.00 0.00 178.44 176.04 2aw0 n LEU 51 N -4.08 1.59 -4.02 1.67 4.32 -0.79 -5.05 117.00 110.64 2aw0 n LEU 51 Ca -0.02 -0.06 -0.10 0.00 -0.02 0.00 0.00 56.01 55.82 2aw0 n LEU 51 Cb 0.39 -0.26 -0.05 0.00 -1.62 0.00 0.00 43.42 41.87 2aw0 n LEU 51 CO 0.38 0.73 0.15 0.28 -1.22 0.00 0.00 177.39 177.71 2aw0 s THR 52 N -2.51 0.00 0.13 -5.08 -1.32 -0.60 -4.76 115.64 101.50 2aw0 s THR 52 Ca -0.23 -1.46 -0.12 0.00 -1.21 0.00 0.00 61.69 58.67 2aw0 s THR 52 Cb 0.08 -2.28 0.01 0.00 -1.51 0.00 0.00 72.50 68.79 2aw0 s THR 52 CO 0.71 0.00 0.31 -0.94 -2.21 0.00 0.00 174.62 172.49 2aw0 s SER 53 N -3.05 -0.04 0.20 8.08 1.04 -1.26 -3.65 113.70 115.01 2aw0 s SER 53 Ca 0.24 -0.59 -0.12 0.00 0.48 0.00 0.00 55.95 55.96 2aw0 s SER 53 Cb -0.00 0.43 0.25 0.00 0.10 0.00 0.00 66.02 66.80 2aw0 s SER 53 CO 0.10 -0.84 1.67 -0.65 0.98 0.00 0.00 173.24 174.50 2aw0 h PRO 54 N 2.52 0.10 -0.99 4.02 0.11 -1.99 -0.94 132.00 134.84 2aw0 h PRO 54 Ca -0.33 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.81 2aw0 h PRO 54 Cb 1.23 -0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 2aw0 h PRO 54 CO 0.49 0.07 0.65 1.05 -0.21 0.00 0.00 178.00 180.05 2aw0 h GLU 55 N 0.11 1.23 -0.29 1.05 4.11 -1.99 0.03 114.58 118.83 2aw0 h GLU 55 Ca 0.29 -0.07 -0.05 0.00 0.07 0.00 0.00 59.36 59.60 2aw0 h GLU 55 Cb 0.46 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2aw0 h GLU 55 CO -0.50 0.81 -0.01 1.15 0.07 0.00 0.00 179.01 180.54 2aw0 h THR 56 N 1.27 1.26 -0.49 -1.06 2.02 -1.63 -1.34 112.91 112.93 2aw0 h THR 56 Ca 0.39 -0.95 -0.04 0.00 0.77 0.00 0.00 66.41 66.58 2aw0 h THR 56 Cb -0.02 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 2aw0 h THR 56 CO -0.12 0.30 0.14 -0.07 0.37 0.00 0.00 175.52 176.14 2aw0 h LEU 57 N 0.30 0.73 -0.34 2.58 3.38 -0.88 0.68 115.31 121.76 2aw0 h LEU 57 Ca 0.08 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.88 2aw0 h LEU 57 Cb 0.44 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 2aw0 h LEU 57 CO 0.02 0.76 0.09 -0.09 0.09 0.00 0.00 178.44 179.30 2aw0 h ARG 58 N 0.67 0.21 -0.91 1.13 2.43 -0.97 -1.15 114.38 115.78 2aw0 h ARG 58 Ca 0.16 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.38 2aw0 h ARG 58 Cb 0.30 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.74 2aw0 h ARG 58 CO -0.00 0.14 0.58 0.78 -1.51 0.00 0.00 179.97 179.95 2aw0 h GLY 59 N 0.21 1.39 0.82 2.80 0.00 -0.76 -0.34 103.07 107.19 2aw0 h GLY 59 Ca 0.16 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 2aw0 h GLY 59 CO -0.19 0.29 0.02 0.00 0.00 0.00 0.00 176.54 176.66 2aw0 h ALA 60 N 1.43 0.23 -0.71 3.60 0.00 -0.28 0.16 119.26 123.68 2aw0 h ALA 60 Ca 0.40 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 2aw0 h ALA 60 Cb 0.18 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2aw0 h ALA 60 CO -0.18 -0.10 0.31 0.82 0.00 0.00 0.00 179.25 180.11 2aw0 h ILE 61 N 0.07 1.24 -0.67 0.00 2.04 -1.05 -1.87 117.51 117.27 2aw0 h ILE 61 Ca 0.05 -0.72 0.03 0.00 1.00 0.00 0.00 64.86 65.22 2aw0 h ILE 61 Cb 0.32 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 2aw0 h ILE 61 CO 0.00 0.30 0.42 -0.08 0.00 0.00 0.00 178.15 178.79 2aw0 h GLU 62 N 1.01 0.80 -0.92 2.37 4.81 -0.91 -2.31 114.58 119.44 2aw0 h GLU 62 Ca 0.24 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2aw0 h GLU 62 Cb 0.17 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 2aw0 h GLU 62 CO -0.02 0.53 0.56 0.22 -0.73 0.00 0.00 179.01 179.57 2aw0 h ASP 63 N 0.82 1.09 -0.54 1.04 3.58 -0.46 -1.99 116.42 119.96 2aw0 h ASP 63 Ca 0.27 -0.06 0.02 0.00 0.42 0.00 0.00 57.03 57.68 2aw0 h ASP 63 Cb 0.01 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 40.75 2aw0 h ASP 63 CO -0.10 0.83 0.34 0.24 -2.88 0.00 0.00 179.24 177.67 2aw0 h MET 64 N 1.26 0.67 0.00 0.28 2.86 -0.97 -3.47 114.93 115.56 2aw0 h MET 64 Ca 0.33 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 2aw0 h MET 64 Cb -0.07 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.44 2aw0 h MET 64 CO -0.06 0.44 0.00 0.41 1.06 0.00 0.00 176.91 178.76 2aw0 n GLY 65 N -1.25 0.06 3.06 8.32 0.00 -0.75 -5.12 105.19 109.52 2aw0 n GLY 65 Ca 0.04 -0.49 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 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 0.41 -1.00 1.61 0.08 -1.20 -5.03 117.98 112.85 2aw0 s PHE 66 Ca 0.00 -0.85 -0.23 0.00 0.12 0.00 0.00 56.93 55.97 2aw0 s PHE 66 Cb 0.00 -0.30 0.04 0.00 -0.57 0.00 0.00 43.02 42.19 2aw0 s PHE 66 CO 0.00 -0.33 1.47 0.34 -0.10 0.00 0.00 175.22 176.60 2aw0 s ASP 67 N -2.42 6.42 -0.23 1.36 2.15 -0.37 -4.19 116.67 119.39 2aw0 s ASP 67 Ca -0.01 -1.37 -0.11 0.00 0.43 0.00 0.00 52.55 51.50 2aw0 s ASP 67 Cb 0.02 -2.57 -0.05 0.00 -0.30 0.00 0.00 42.92 40.02 2aw0 s ASP 67 CO -0.07 -1.58 0.18 0.00 -0.17 0.00 0.00 175.17 173.53 2aw0 s ALA 68 N 5.26 3.61 -0.08 3.66 0.00 -1.26 -1.35 121.76 131.60 2aw0 s ALA 68 Ca 0.47 -0.84 -0.06 0.00 0.00 0.00 0.00 51.96 51.53 2aw0 s ALA 68 Cb -0.01 -2.34 0.03 0.00 0.00 0.00 0.00 23.12 20.81 2aw0 s ALA 68 CO -0.08 -0.17 0.21 0.95 0.00 0.00 0.00 175.76 176.66 2aw0 s THR 69 N 1.01 -0.02 0.41 0.00 -4.23 -0.54 -4.93 115.64 107.34 2aw0 s THR 69 Ca 0.09 0.08 -0.27 0.00 -1.18 0.00 0.00 61.69 60.40 2aw0 s THR 69 Cb -0.13 -0.31 -0.10 0.00 1.34 0.00 0.00 72.50 73.30 2aw0 s THR 69 CO 0.04 0.03 1.47 -0.76 -0.54 0.00 0.00 174.62 174.86 2aw0 s LEU 70 N 0.65 4.23 -0.06 4.79 1.43 -1.26 -0.36 118.68 128.10 2aw0 s LEU 70 Ca -0.04 3.01 -0.15 0.00 -1.03 0.00 0.00 54.13 55.92 2aw0 s LEU 70 Cb -0.06 -3.78 -0.30 0.00 0.03 0.00 0.00 46.19 42.08 2aw0 s LEU 70 CO -0.04 -1.01 0.70 0.28 0.23 0.00 0.00 176.35 176.51 2aw0 h SER 71 N 2.71 0.55 0.00 2.29 0.02 -1.60 -3.43 113.55 114.09 2aw0 h SER 71 Ca -0.51 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 59.53 2aw0 h SER 71 Cb 1.25 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.61 2aw0 h SER 71 CO 0.63 1.67 0.00 0.47 -1.14 0.00 0.00 176.83 178.46