#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 0.27 0.21 1.96 -4.23 -1.26 -4.39 115.64 108.20 2aw0 s THR 2 Ca 0.00 0.14 -0.05 0.00 -1.18 0.00 0.00 61.69 60.60 2aw0 s THR 2 Cb 0.00 -0.41 -0.03 0.00 1.34 0.00 0.00 72.50 73.40 2aw0 s THR 2 CO 0.00 0.22 0.24 -1.10 -0.54 0.00 0.00 174.62 173.44 2aw0 s GLN 3 N 1.68 1.30 -0.00 3.99 -0.21 -0.63 -4.94 119.66 120.85 2aw0 s GLN 3 Ca -0.00 -1.49 -0.00 0.00 0.02 0.00 0.00 55.36 53.89 2aw0 s GLN 3 Cb -0.13 0.34 0.00 0.00 1.00 0.00 0.00 33.01 34.22 2aw0 s GLN 3 CO -0.03 -0.47 0.00 -2.00 -2.12 0.00 0.00 175.29 170.67 2aw0 s GLU 4 N -4.11 0.00 0.00 2.91 2.12 -1.26 -1.03 118.70 117.34 2aw0 s GLU 4 Ca 0.33 0.00 0.01 0.00 0.36 0.00 0.00 54.97 55.67 2aw0 s GLU 4 Cb 0.04 0.00 -0.01 0.00 0.26 0.00 0.00 34.13 34.43 2aw0 s GLU 4 CO 0.10 -0.00 -0.04 -0.08 -0.54 0.00 0.00 175.26 174.70 2aw0 s THR 5 N 0.00 0.29 -0.17 -1.70 -1.32 -0.42 -5.00 115.64 107.32 2aw0 s THR 5 Ca -0.00 -0.27 -0.09 0.00 -1.21 0.00 0.00 61.69 60.11 2aw0 s THR 5 Cb -0.00 -0.27 -0.05 0.00 -1.51 0.00 0.00 72.50 70.67 2aw0 s THR 5 CO -0.00 0.01 0.15 -0.69 -2.21 0.00 0.00 174.62 171.87 2aw0 s VAL 6 N -0.27 5.43 -0.13 5.08 1.01 -1.26 -0.85 120.40 129.41 2aw0 s VAL 6 Ca -0.01 0.22 -0.00 0.00 0.00 0.00 0.00 61.98 62.19 2aw0 s VAL 6 Cb -0.03 -3.46 0.03 0.00 0.00 0.00 0.00 36.38 32.92 2aw0 s VAL 6 CO -0.00 0.50 -0.08 -0.63 0.00 0.00 0.00 175.10 174.89 2aw0 s ILE 7 N -0.11 1.09 0.13 2.22 1.01 -0.49 -1.31 121.20 123.74 2aw0 s ILE 7 Ca 0.11 -0.39 -0.30 0.00 0.00 0.00 0.00 60.65 60.07 2aw0 s ILE 7 Cb -0.11 -1.13 -0.07 0.00 0.01 0.00 0.00 42.46 41.16 2aw0 s ILE 7 CO 0.00 0.32 1.22 0.20 0.00 0.00 0.00 174.94 176.69 2aw0 s ASN 8 N 1.68 7.06 -0.25 3.58 0.01 0.06 -0.82 114.94 126.26 2aw0 s ASN 8 Ca 0.04 2.15 0.03 0.00 -0.71 0.00 0.00 52.86 54.37 2aw0 s ASN 8 Cb -0.13 -2.59 0.05 0.00 0.41 0.00 0.00 41.25 38.99 2aw0 s ASN 8 CO -0.08 -0.44 -0.12 -0.63 -1.51 0.00 0.00 177.10 174.32 2aw0 s ILE 9 N 0.52 2.09 0.05 0.60 1.01 -0.19 -1.18 121.20 124.10 2aw0 s ILE 9 Ca 0.56 -1.49 -0.00 0.00 0.00 0.00 0.00 60.65 59.72 2aw0 s ILE 9 Cb -0.32 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 2aw0 s ILE 9 CO 0.33 0.05 0.19 -0.62 0.00 0.00 0.00 174.94 174.88 2aw0 s ASP 10 N 1.16 6.25 0.00 3.58 2.15 -0.37 -4.22 116.67 125.21 2aw0 s ASP 10 Ca -0.07 0.25 0.00 0.00 0.43 0.00 0.00 52.55 53.16 2aw0 s ASP 10 Cb -0.19 -1.90 0.00 0.00 -0.30 0.00 0.00 42.92 40.53 2aw0 s ASP 10 CO -0.06 0.19 0.00 0.61 -0.17 0.00 0.00 175.17 175.73 2aw0 n GLY 11 N 0.42 0.94 3.60 2.66 0.00 -1.26 -1.19 105.19 110.35 2aw0 n GLY 11 Ca -0.06 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.55 3.66 -0.13 1.61 -1.94 -1.26 -4.91 119.30 115.78 2aw0 s MET 12 Ca 0.00 0.51 -0.22 0.00 -1.71 0.00 0.00 55.69 54.27 2aw0 s MET 12 Cb 0.00 -3.94 -0.26 0.00 2.01 0.00 0.00 34.83 32.64 2aw0 s MET 12 CO 0.00 -1.47 0.58 1.15 -0.01 0.00 0.00 175.02 175.27 2aw0 h THR 13 N 6.24 1.29 -3.47 2.05 2.02 -1.99 -3.49 112.91 115.55 2aw0 h THR 13 Ca -0.24 -2.35 -0.11 0.00 0.77 0.00 0.00 66.41 64.48 2aw0 h THR 13 Cb 1.06 2.86 -0.04 0.00 -1.74 0.00 0.00 68.15 70.30 2aw0 h THR 13 CO 1.14 0.59 0.07 0.00 0.37 0.00 0.00 175.52 177.68 2aw0 h ASN 15 N 2.06 0.00 -0.84 0.00 -0.73 -2.01 -1.42 115.58 112.63 2aw0 h ASN 15 Ca -0.29 0.00 0.12 0.00 1.87 0.00 0.00 56.30 58.00 2aw0 h ASN 15 Cb 1.25 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 39.77 2aw0 h ASN 15 CO 0.38 0.01 0.55 0.28 -0.37 0.00 0.00 177.43 178.28 2aw0 h SER 16 N 0.00 0.65 -0.41 1.15 0.02 -1.99 -1.75 113.55 111.21 2aw0 h SER 16 Ca -0.00 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 2aw0 h SER 16 Cb 0.07 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 2aw0 h SER 16 CO 0.00 0.36 0.10 0.00 -1.14 0.00 0.00 176.83 176.15 2aw0 h VAL 18 N 0.53 0.51 -0.09 0.00 2.07 -1.46 -0.11 116.25 117.69 2aw0 h VAL 18 Ca 0.13 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.67 2aw0 h VAL 18 Cb 0.32 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2aw0 h VAL 18 CO 0.00 0.00 -0.04 1.56 0.02 0.00 0.00 177.57 179.11 2aw0 h GLN 19 N -0.28 -0.02 0.93 1.57 4.20 -1.29 -1.76 115.11 118.46 2aw0 h GLN 19 Ca 0.08 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 2aw0 h GLN 19 Cb 0.40 0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.19 2aw0 h GLN 19 CO -0.24 -0.01 -0.46 0.77 -0.67 0.00 0.00 178.83 178.22 2aw0 h SER 20 N -0.02 -1.09 -0.18 1.46 0.02 -0.78 -0.35 113.55 112.60 2aw0 h SER 20 Ca 0.05 0.04 0.05 0.00 -0.84 0.00 0.00 61.79 61.09 2aw0 h SER 20 Cb 0.10 0.29 -0.06 0.00 0.14 0.00 0.00 62.40 62.86 2aw0 h SER 20 CO -0.11 -0.77 -0.20 0.40 -1.14 0.00 0.00 176.83 175.01 2aw0 h ILE 21 N -1.27 0.48 0.44 3.27 2.04 -1.05 -0.74 117.51 120.69 2aw0 h ILE 21 Ca -0.13 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 2aw0 h ILE 21 Cb 0.97 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 2aw0 h ILE 21 CO 0.20 0.00 -0.21 -0.08 0.00 0.00 0.00 178.15 178.06 2aw0 h GLU 22 N -0.23 -0.57 -0.89 2.37 4.81 -1.29 -1.38 114.58 117.39 2aw0 h GLU 22 Ca 0.12 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 2aw0 h GLU 22 Cb 0.40 0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.87 2aw0 h GLU 22 CO -0.32 -0.34 0.56 0.78 -0.73 0.00 0.00 179.01 178.97 2aw0 h GLY 23 N -0.68 1.28 0.32 1.92 0.00 -0.91 -1.16 103.07 103.83 2aw0 h GLY 23 Ca -0.06 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 2aw0 h GLY 23 CO 0.10 0.49 -0.11 -2.08 0.00 0.00 0.00 176.54 174.94 2aw0 h VAL 24 N 1.22 0.42 0.00 4.60 2.07 -1.12 -3.36 116.25 120.08 2aw0 h VAL 24 Ca 0.32 -0.94 -0.07 0.00 0.82 0.00 0.00 66.70 66.83 2aw0 h VAL 24 Cb -0.09 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2aw0 h VAL 24 CO -0.07 0.11 -0.35 0.40 0.02 0.00 0.00 177.57 177.68 2aw0 h ILE 25 N -1.00 1.15 -0.58 4.57 2.04 -1.22 -2.14 117.51 120.33 2aw0 h ILE 25 Ca -0.03 -1.26 0.17 0.00 1.00 0.00 0.00 64.86 64.74 2aw0 h ILE 25 Cb 0.43 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 2aw0 h ILE 25 CO 0.05 0.35 0.46 0.77 0.00 0.00 0.00 178.15 179.78 2aw0 h SER 26 N 0.00 0.00 0.94 1.72 4.64 -1.36 -1.63 113.55 117.87 2aw0 h SER 26 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2aw0 h SER 26 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2aw0 h SER 26 CO 0.05 0.00 -0.77 0.11 -0.87 0.00 0.00 176.83 175.35 2aw0 h LYS 27 N 0.00 0.00 -6.88 4.77 1.57 -1.55 -3.44 116.57 111.04 2aw0 h LYS 27 Ca 0.28 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.55 2aw0 h LYS 27 Cb 1.18 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.53 2aw0 h LYS 27 CO -0.00 0.00 0.52 0.15 -0.57 0.00 0.00 179.45 179.54 2aw0 s LYS 28 N -3.25 4.33 0.36 3.15 1.02 -0.61 -4.95 119.74 119.79 2aw0 s LYS 28 Ca 0.03 1.88 -0.28 0.00 0.02 0.00 0.00 55.97 57.63 2aw0 s LYS 28 Cb 0.12 -2.93 -0.10 0.00 -0.52 0.00 0.00 37.83 34.39 2aw0 s LYS 28 CO 0.75 -0.09 1.38 -1.25 -0.92 0.00 0.00 175.35 175.22 2aw0 s PRO 29 N -1.90 4.19 0.00 -1.68 0.04 -1.26 -2.52 135.00 131.86 2aw0 s PRO 29 Ca 0.51 2.36 0.00 0.00 0.04 0.00 0.00 61.00 63.91 2aw0 s PRO 29 Cb -0.32 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.23 2aw0 s PRO 29 CO 0.42 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 177.49 2aw0 n GLY 30 N 0.64 2.91 3.76 0.56 0.00 -1.26 -4.56 105.19 107.24 2aw0 n GLY 30 Ca 0.01 -0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.10 3.49 0.00 1.61 1.01 -1.05 -1.53 120.40 121.83 2aw0 s VAL 31 Ca 0.00 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.37 2aw0 s VAL 31 Cb 0.00 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.54 2aw0 s VAL 31 CO 0.00 0.25 0.00 0.29 0.00 0.00 0.00 175.10 175.64 2aw0 n LYS 32 N 0.79 0.00 -2.94 2.72 5.02 -0.20 -4.90 118.16 118.65 2aw0 n LYS 32 Ca 0.01 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.86 2aw0 n LYS 32 Cb 0.46 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.44 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 0.84 6.44 -0.04 4.39 1.04 -1.25 -4.89 113.70 120.22 2aw0 s SER 33 Ca 0.00 -1.67 -0.19 0.00 0.48 0.00 0.00 55.95 54.57 2aw0 s SER 33 Cb 0.00 -2.39 -0.05 0.00 0.10 0.00 0.00 66.02 63.68 2aw0 s SER 33 CO 0.00 -1.17 0.55 -0.51 0.98 0.00 0.00 173.24 173.09 2aw0 s ILE 34 N 3.02 5.00 -0.35 -1.02 2.07 -1.26 -2.64 121.20 126.02 2aw0 s ILE 34 Ca 0.26 1.14 0.01 0.00 -1.41 0.00 0.00 60.65 60.65 2aw0 s ILE 34 Cb -0.11 -3.89 0.11 0.00 0.13 0.00 0.00 42.46 38.70 2aw0 s ILE 34 CO -0.02 0.40 0.13 -0.13 -1.91 0.00 0.00 174.94 173.42 2aw0 s ARG 35 N -0.02 0.97 0.10 3.50 0.52 -0.42 -5.00 118.95 118.59 2aw0 s ARG 35 Ca 0.29 -1.43 -0.06 0.00 -0.52 0.00 0.00 55.73 54.01 2aw0 s ARG 35 Cb -0.17 -2.23 -0.05 0.00 0.52 0.00 0.00 34.95 33.01 2aw0 s ARG 35 CO 0.15 -1.03 0.36 0.08 0.02 0.00 0.00 175.30 174.88 2aw0 s VAL 36 N 1.18 5.18 -0.14 3.52 1.01 -1.26 -1.16 120.40 128.72 2aw0 s VAL 36 Ca 0.12 0.16 -0.07 0.00 0.00 0.00 0.00 61.98 62.19 2aw0 s VAL 36 Cb -0.20 -3.62 0.06 0.00 0.00 0.00 0.00 36.38 32.62 2aw0 s VAL 36 CO -0.16 0.16 0.32 -0.55 0.00 0.00 0.00 175.10 174.87 2aw0 s SER 37 N -2.13 -0.22 0.05 3.32 0.15 -0.52 -5.00 113.70 109.35 2aw0 s SER 37 Ca 0.36 0.70 -0.17 0.00 0.70 0.00 0.00 55.95 57.54 2aw0 s SER 37 Cb -0.13 0.67 -0.19 0.00 -1.71 0.00 0.00 66.02 64.67 2aw0 s SER 37 CO 0.21 -0.20 1.22 0.25 1.20 0.00 0.00 173.24 175.93 2aw0 h LEU 38 N 7.49 0.69 -0.50 3.45 6.46 -1.95 -0.56 115.31 130.39 2aw0 h LEU 38 Ca -0.32 -0.66 0.08 0.00 -0.12 0.00 0.00 57.88 56.86 2aw0 h LEU 38 Cb 1.15 -0.20 -0.07 0.00 -0.73 0.00 0.00 40.66 40.81 2aw0 h LEU 38 CO 0.28 1.24 0.13 0.00 -0.62 0.00 0.00 178.44 179.47 2aw0 h ALA 39 N 0.46 0.58 -0.01 1.25 0.00 -1.96 -0.54 119.26 119.05 2aw0 h ALA 39 Ca -0.05 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2aw0 h ALA 39 Cb 1.25 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2aw0 h ALA 39 CO 0.12 -0.28 -0.25 0.09 0.00 0.00 0.00 179.25 178.93 2aw0 n ASN 40 N -5.07 0.89 -3.64 0.00 3.02 -1.25 -4.98 115.26 104.23 2aw0 n ASN 40 Ca 0.06 -0.78 -0.23 0.00 -0.03 0.00 0.00 54.58 53.60 2aw0 n ASN 40 Cb 0.23 0.11 0.04 0.00 -0.61 0.00 0.00 39.78 39.55 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 -0.77 -2.79 -3.64 6.41 7.64 -0.21 -4.92 113.62 115.34 2aw0 n SER 41 Ca 0.12 -0.85 -0.07 0.00 1.01 0.00 0.00 58.87 59.08 2aw0 n SER 41 Cb 0.34 -4.04 -0.01 0.00 -1.01 0.00 0.00 64.21 59.48 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 -4.04 -0.19 -0.15 6.43 2.20 -0.35 -1.02 114.94 117.83 2aw0 s ASN 42 Ca 0.17 -0.69 -0.00 0.00 -0.94 0.00 0.00 52.86 51.39 2aw0 s ASN 42 Cb -0.05 0.71 0.03 0.00 -2.00 0.00 0.00 41.25 39.95 2aw0 s ASN 42 CO 0.81 -1.34 -0.07 -0.83 -2.94 0.00 0.00 177.10 172.73 2aw0 s GLY 43 N -2.97 0.94 -0.71 0.45 0.00 -0.00 -1.44 107.32 103.59 2aw0 s GLY 43 Ca 0.12 -0.76 -0.15 0.00 0.00 0.00 0.00 44.72 43.93 2aw0 s GLY 43 CO 0.07 0.86 0.67 -1.59 0.00 0.00 0.00 173.10 173.12 2aw0 s THR 44 N 1.64 5.39 -0.28 0.90 2.01 -0.31 -1.39 115.64 123.60 2aw0 s THR 44 Ca 0.02 -1.99 -0.11 0.00 0.31 0.00 0.00 61.69 59.92 2aw0 s THR 44 Cb -0.14 -4.43 -0.05 0.00 0.01 0.00 0.00 72.50 67.89 2aw0 s THR 44 CO -0.08 -0.99 0.19 -0.69 -0.69 0.00 0.00 174.62 172.36 2aw0 s VAL 45 N 0.93 5.30 -0.05 3.82 1.01 -0.03 -1.30 120.40 130.08 2aw0 s VAL 45 Ca 0.12 0.17 -0.20 0.00 0.00 0.00 0.00 61.98 62.07 2aw0 s VAL 45 Cb -0.18 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 2aw0 s VAL 45 CO -0.04 0.25 0.57 -0.70 0.00 0.00 0.00 175.10 175.19 2aw0 s GLU 46 N 1.75 4.33 0.27 2.72 2.12 -1.08 -1.30 118.70 127.50 2aw0 s GLU 46 Ca 0.07 0.66 -0.10 0.00 0.36 0.00 0.00 54.97 55.96 2aw0 s GLU 46 Cb -0.16 -3.38 -0.00 0.00 0.26 0.00 0.00 34.13 30.84 2aw0 s GLU 46 CO 0.11 0.27 0.47 1.52 -0.54 0.00 0.00 175.26 177.09 2aw0 s TYR 47 N 0.18 0.52 -0.34 5.30 1.13 -0.20 -1.03 117.35 122.91 2aw0 s TYR 47 Ca 0.30 -0.86 -0.08 0.00 -1.41 0.00 0.00 57.07 55.02 2aw0 s TYR 47 Cb -0.17 0.13 0.02 0.00 -1.10 0.00 0.00 41.96 40.84 2aw0 s TYR 47 CO 0.15 -1.02 0.14 0.34 -2.51 0.00 0.00 175.55 172.65 2aw0 s ASP 48 N -3.07 5.45 0.39 -0.18 2.15 -0.58 -1.60 116.67 119.23 2aw0 s ASP 48 Ca 0.25 -0.93 0.21 0.00 0.43 0.00 0.00 52.55 52.51 2aw0 s ASP 48 Cb -0.00 -1.94 1.23 0.00 -0.30 0.00 0.00 42.92 41.91 2aw0 s ASP 48 CO 0.11 -0.30 1.66 -0.65 -0.17 0.00 0.00 175.17 175.82 2aw0 h PRO 49 N 8.32 0.22 -0.25 4.34 0.11 -1.76 -0.69 132.00 142.27 2aw0 h PRO 49 Ca -0.27 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.77 2aw0 h PRO 49 Cb 1.11 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 2aw0 h PRO 49 CO 0.63 0.14 -0.12 -0.07 -0.21 0.00 0.00 178.00 178.37 2aw0 h LEU 50 N 0.22 0.40 0.00 2.35 3.38 -1.95 -3.30 115.31 116.41 2aw0 h LEU 50 Ca 0.75 -0.10 -0.36 0.00 0.09 0.00 0.00 57.88 58.27 2aw0 h LEU 50 Cb 2.02 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 42.59 2aw0 h LEU 50 CO -0.51 0.55 -2.34 0.18 0.09 0.00 0.00 178.44 176.41 2aw0 n LEU 51 N -4.23 1.01 -4.05 1.67 4.77 -0.55 -5.05 117.00 110.58 2aw0 n LEU 51 Ca 0.00 -0.05 -0.10 0.00 -0.03 0.00 0.00 56.01 55.84 2aw0 n LEU 51 Cb 0.30 0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.35 2aw0 n LEU 51 CO 0.39 0.62 0.08 0.28 -1.33 0.00 0.00 177.39 177.44 2aw0 s THR 52 N -2.47 0.00 0.08 -5.08 -1.32 -0.38 -4.76 115.64 101.72 2aw0 s THR 52 Ca -0.18 -1.55 -0.02 0.00 -1.21 0.00 0.00 61.69 58.73 2aw0 s THR 52 Cb 0.07 -2.27 -0.03 0.00 -1.51 0.00 0.00 72.50 68.75 2aw0 s THR 52 CO 0.71 -0.00 0.04 -0.94 -2.21 0.00 0.00 174.62 172.22 2aw0 s SER 53 N -3.05 0.37 0.28 8.08 1.04 -1.26 -3.67 113.70 115.48 2aw0 s SER 53 Ca 0.26 -1.01 0.01 0.00 0.48 0.00 0.00 55.95 55.70 2aw0 s SER 53 Cb 0.01 0.26 0.63 0.00 0.10 0.00 0.00 66.02 67.02 2aw0 s SER 53 CO 0.10 -0.67 1.72 -0.65 0.98 0.00 0.00 173.24 174.72 2aw0 h PRO 54 N 2.98 0.46 -0.65 4.02 0.11 -1.98 -0.96 132.00 135.99 2aw0 h PRO 54 Ca -0.34 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.65 2aw0 h PRO 54 Cb 1.17 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 2aw0 h PRO 54 CO 0.62 0.31 0.07 0.93 -0.21 0.00 0.00 178.00 179.72 2aw0 h GLU 55 N 0.48 1.10 -0.39 1.05 5.08 -1.97 -0.14 114.58 119.79 2aw0 h GLU 55 Ca 0.51 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2aw0 h GLU 55 Cb 0.87 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 2aw0 h GLU 55 CO -0.46 1.03 0.16 1.15 -1.00 0.00 0.00 179.01 179.89 2aw0 h THR 56 N 1.02 1.19 -0.43 1.13 2.02 -1.65 -0.58 112.91 115.60 2aw0 h THR 56 Ca 0.19 -0.57 -0.06 0.00 0.77 0.00 0.00 66.41 66.75 2aw0 h THR 56 Cb 0.48 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 2aw0 h THR 56 CO 0.02 0.21 0.05 -0.07 0.37 0.00 0.00 175.52 176.10 2aw0 h LEU 57 N 0.48 0.70 -0.35 2.58 3.38 -1.05 0.36 115.31 121.41 2aw0 h LEU 57 Ca 0.13 -0.27 0.07 0.00 0.09 0.00 0.00 57.88 57.89 2aw0 h LEU 57 Cb 0.17 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 2aw0 h LEU 57 CO -0.01 0.80 -0.04 -0.09 0.09 0.00 0.00 178.44 179.19 2aw0 h ARG 58 N 0.58 0.05 -0.69 1.13 2.43 -0.97 -1.64 114.38 115.27 2aw0 h ARG 58 Ca 0.13 -0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.40 2aw0 h ARG 58 Cb 0.40 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 29.87 2aw0 h ARG 58 CO 0.01 0.04 0.31 0.78 -1.51 0.00 0.00 179.97 179.60 2aw0 h GLY 59 N 0.06 1.02 0.97 2.80 0.00 -0.51 -0.70 103.07 106.70 2aw0 h GLY 59 Ca 0.17 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 2aw0 h GLY 59 CO -0.32 0.01 0.23 0.00 0.00 0.00 0.00 176.54 176.47 2aw0 h ALA 60 N 1.44 0.55 -0.54 3.60 0.00 -0.39 0.65 119.26 124.58 2aw0 h ALA 60 Ca 0.35 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 2aw0 h ALA 60 Cb 0.41 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2aw0 h ALA 60 CO -0.30 0.07 0.19 0.82 0.00 0.00 0.00 179.25 180.03 2aw0 h ILE 61 N 0.55 1.23 -0.75 0.00 2.04 -0.88 -1.98 117.51 117.73 2aw0 h ILE 61 Ca 0.15 -0.75 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 2aw0 h ILE 61 Cb 0.06 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 2aw0 h ILE 61 CO -0.02 0.28 0.33 -0.33 0.00 0.00 0.00 178.15 178.41 2aw0 h GLU 62 N 0.74 1.08 -0.66 2.37 5.08 -0.91 -0.92 114.58 121.36 2aw0 h GLU 62 Ca 0.18 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2aw0 h GLU 62 Cb 0.25 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2aw0 h GLU 62 CO -0.01 0.85 0.39 0.22 -1.00 0.00 0.00 179.01 179.47 2aw0 h ASP 63 N 1.07 0.79 -0.24 1.42 3.58 -0.54 -2.52 116.42 119.98 2aw0 h ASP 63 Ca 0.25 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 2aw0 h ASP 63 Cb 0.15 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 2aw0 h ASP 63 CO -0.03 0.62 0.11 0.24 -2.88 0.00 0.00 179.24 177.31 2aw0 h MET 64 N 0.89 0.34 0.00 0.28 2.86 -1.08 -3.48 114.93 114.75 2aw0 h MET 64 Ca 0.24 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2aw0 h MET 64 Cb -0.02 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.58 2aw0 h MET 64 CO -0.04 0.35 0.00 0.41 1.06 0.00 0.00 176.91 178.68 2aw0 n GLY 65 N -0.84 0.12 3.00 8.32 0.00 -0.38 -5.12 105.19 110.29 2aw0 n GLY 65 Ca -0.03 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 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 0.26 -0.93 1.61 0.40 -1.05 -5.00 117.98 113.27 2aw0 s PHE 66 Ca 0.00 -0.54 -0.24 0.00 -0.60 0.00 0.00 56.93 55.55 2aw0 s PHE 66 Cb 0.00 -0.19 0.04 0.00 0.51 0.00 0.00 43.02 43.38 2aw0 s PHE 66 CO 0.00 -0.21 1.41 -0.51 0.70 0.00 0.00 175.22 176.61 2aw0 s ASP 67 N -1.56 6.36 -0.16 1.36 1.01 -0.34 -3.80 116.67 119.54 2aw0 s ASP 67 Ca -0.14 -1.11 -0.10 0.00 0.71 0.00 0.00 52.55 51.91 2aw0 s ASP 67 Cb -0.09 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.23 2aw0 s ASP 67 CO -0.01 -1.64 0.16 0.00 0.21 0.00 0.00 175.17 173.88 2aw0 s ALA 68 N 5.35 3.74 -0.02 5.23 0.00 -1.26 -1.24 121.76 133.57 2aw0 s ALA 68 Ca 0.43 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.76 2aw0 s ALA 68 Cb -0.03 -2.13 0.02 0.00 0.00 0.00 0.00 23.12 20.98 2aw0 s ALA 68 CO -0.02 0.32 0.01 0.95 0.00 0.00 0.00 175.76 177.02 2aw0 s THR 69 N -0.14 0.06 0.21 0.00 -4.23 -0.33 -5.00 115.64 106.21 2aw0 s THR 69 Ca 0.12 0.10 -0.31 0.00 -1.18 0.00 0.00 61.69 60.42 2aw0 s THR 69 Cb -0.12 -0.14 -0.11 0.00 1.34 0.00 0.00 72.50 73.47 2aw0 s THR 69 CO 0.01 0.09 1.61 -0.76 -0.54 0.00 0.00 174.62 175.03 2aw0 s LEU 70 N 0.76 4.37 -0.20 4.79 1.43 -1.26 -0.76 118.68 127.81 2aw0 s LEU 70 Ca -0.07 2.75 -0.11 0.00 -1.03 0.00 0.00 54.13 55.68 2aw0 s LEU 70 Cb -0.10 -3.60 -0.20 0.00 0.03 0.00 0.00 46.19 42.32 2aw0 s LEU 70 CO -0.02 -0.87 0.08 -1.20 0.23 0.00 0.00 176.35 174.57 2aw0 n SER 71 N 3.53 1.99 -0.67 2.29 7.64 -0.43 -4.80 113.62 123.18 2aw0 n SER 71 Ca 0.13 0.23 0.08 0.00 1.01 0.00 0.00 58.87 60.33 2aw0 n SER 71 Cb 0.37 -0.81 0.07 0.00 -1.01 0.00 0.00 64.21 62.84 2aw0 n SER 71 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50