#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 0.48 0.09 -5.08 -4.23 -1.26 -4.27 115.64 101.37 1aw0 s THR 2 Ca 0.00 -0.19 0.02 0.00 -1.18 0.00 0.00 61.69 60.35 1aw0 s THR 2 Cb 0.00 -0.78 -0.04 0.00 1.34 0.00 0.00 72.50 73.03 1aw0 s THR 2 CO 0.00 0.07 -0.08 -1.10 -0.54 0.00 0.00 174.62 172.98 1aw0 s GLN 3 N 1.91 0.79 0.19 3.99 -1.52 -0.68 -5.02 119.66 119.32 1aw0 s GLN 3 Ca 0.03 -1.18 0.10 0.00 -1.95 0.00 0.00 55.36 52.35 1aw0 s GLN 3 Cb -0.14 -0.33 -0.04 0.00 -0.22 0.00 0.00 33.01 32.28 1aw0 s GLN 3 CO -0.07 0.03 -0.20 -1.21 -0.25 0.00 0.00 175.29 173.59 1aw0 s GLU 4 N -3.12 1.41 -0.08 2.91 2.02 -1.26 -1.07 118.70 119.51 1aw0 s GLU 4 Ca 0.06 -1.51 -0.14 0.00 0.02 0.00 0.00 54.97 53.40 1aw0 s GLU 4 Cb 0.00 -1.55 0.03 0.00 0.10 0.00 0.00 34.13 32.71 1aw0 s GLU 4 CO -0.02 0.32 0.35 -0.08 0.02 0.00 0.00 175.26 175.84 1aw0 s THR 5 N -2.04 0.03 -0.18 3.63 -1.32 -0.43 -5.01 115.64 110.31 1aw0 s THR 5 Ca 0.20 -0.21 -0.05 0.00 -1.21 0.00 0.00 61.69 60.41 1aw0 s THR 5 Cb -0.06 -0.57 -0.03 0.00 -1.51 0.00 0.00 72.50 70.33 1aw0 s THR 5 CO 0.09 -0.12 0.01 -0.69 -2.21 0.00 0.00 174.62 171.70 1aw0 s VAL 6 N -0.52 4.20 -0.11 5.08 1.01 0.41 -1.03 120.40 129.44 1aw0 s VAL 6 Ca -0.06 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1aw0 s VAL 6 Cb -0.04 -2.88 0.02 0.00 0.00 0.00 0.00 36.38 33.48 1aw0 s VAL 6 CO 0.02 0.45 -0.14 -0.63 0.00 0.00 0.00 175.10 174.80 1aw0 s ILE 7 N 0.64 1.45 0.19 2.22 1.01 -0.50 -1.03 121.20 125.19 1aw0 s ILE 7 Ca 0.00 -0.60 -0.31 0.00 0.00 0.00 0.00 60.65 59.74 1aw0 s ILE 7 Cb -0.14 -1.34 -0.10 0.00 0.01 0.00 0.00 42.46 40.89 1aw0 s ILE 7 CO 0.02 0.43 1.46 0.20 0.00 0.00 0.00 174.94 177.05 1aw0 s ASN 8 N 1.11 6.69 -0.38 3.58 0.01 0.74 -0.77 114.94 125.92 1aw0 s ASN 8 Ca -0.04 2.56 0.02 0.00 -0.71 0.00 0.00 52.86 54.69 1aw0 s ASN 8 Cb -0.14 -2.61 0.12 0.00 0.41 0.00 0.00 41.25 39.03 1aw0 s ASN 8 CO -0.03 -0.71 0.15 -0.63 -1.51 0.00 0.00 177.10 174.37 1aw0 s ILE 9 N 0.56 1.50 0.18 0.60 1.01 -0.32 -1.49 121.20 123.25 1aw0 s ILE 9 Ca 0.63 -2.19 0.03 0.00 0.00 0.00 0.00 60.65 59.13 1aw0 s ILE 9 Cb -0.41 -2.09 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 1aw0 s ILE 9 CO 0.37 -0.75 0.32 -1.81 0.00 0.00 0.00 174.94 173.06 1aw0 s ASP 10 N 0.83 6.33 0.00 3.58 1.01 -0.39 -4.00 116.67 124.04 1aw0 s ASP 10 Ca 0.14 0.15 0.00 0.00 0.71 0.00 0.00 52.55 53.55 1aw0 s ASP 10 Cb -0.21 -1.90 0.00 0.00 1.01 0.00 0.00 42.92 41.82 1aw0 s ASP 10 CO -0.10 0.00 0.00 0.61 0.21 0.00 0.00 175.17 175.89 1aw0 n GLY 11 N -0.85 0.54 3.56 0.21 0.00 -1.26 -1.34 105.19 106.05 1aw0 n GLY 11 Ca -0.08 -0.82 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 1aw0 n GLY 11 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1aw0 s MET 12 N -4.17 3.58 0.03 1.61 -1.94 -1.26 -4.88 119.30 112.26 1aw0 s MET 12 Ca 0.00 0.11 -0.27 0.00 -1.71 0.00 0.00 55.69 53.81 1aw0 s MET 12 Cb 0.00 -3.88 -0.17 0.00 2.01 0.00 0.00 34.83 32.80 1aw0 s MET 12 CO 0.00 -0.99 1.33 1.15 -0.01 0.00 0.00 175.02 176.49 1aw0 h THR 13 N 5.88 0.45 -2.01 2.05 2.02 -1.99 -3.49 112.91 115.81 1aw0 h THR 13 Ca -0.25 -0.35 0.01 0.00 0.77 0.00 0.00 66.41 66.59 1aw0 h THR 13 Cb 1.09 0.59 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1aw0 h THR 13 CO 0.94 0.05 0.06 0.00 0.37 0.00 0.00 175.52 176.95 1aw0 h ASN 15 N 0.32 0.42 -0.93 0.00 -1.07 -2.00 -0.56 115.58 111.77 1aw0 h ASN 15 Ca -0.05 0.05 0.11 0.00 0.07 0.00 0.00 56.30 56.49 1aw0 h ASN 15 Cb 0.20 -0.02 -0.07 0.00 -2.07 0.00 0.00 38.32 36.36 1aw0 h ASN 15 CO 0.07 0.14 0.59 0.28 0.07 0.00 0.00 177.43 178.58 1aw0 h SER 16 N 0.40 0.81 -0.10 6.14 0.02 -1.99 -0.87 113.55 117.96 1aw0 h SER 16 Ca 0.51 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.48 1aw0 h SER 16 Cb 1.30 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.70 1aw0 h SER 16 CO -0.21 0.45 0.01 0.00 -1.14 0.00 0.00 176.83 175.93 1aw0 h VAL 18 N -0.09 0.33 0.24 0.00 2.07 -1.34 -0.80 116.25 116.66 1aw0 h VAL 18 Ca 0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1aw0 h VAL 18 Cb 0.33 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1aw0 h VAL 18 CO 0.00 0.00 -0.15 1.56 0.02 0.00 0.00 177.57 179.00 1aw0 h GLN 19 N -0.36 -0.37 0.33 1.57 4.20 -1.16 -1.02 115.11 118.31 1aw0 h GLN 19 Ca 0.10 0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 1aw0 h GLN 19 Cb 0.51 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1aw0 h GLN 19 CO -0.34 -0.24 -0.16 0.66 -0.67 0.00 0.00 178.83 178.07 1aw0 h SER 20 N -0.38 -0.38 0.18 1.46 4.64 -1.07 -0.42 113.55 117.58 1aw0 h SER 20 Ca -0.02 -0.02 0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1aw0 h SER 20 Cb 0.32 0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.48 1aw0 h SER 20 CO 0.02 -0.22 -0.27 0.40 -0.87 0.00 0.00 176.83 175.89 1aw0 h ILE 21 N -0.50 0.41 -0.32 0.95 2.04 -1.16 -1.09 117.51 117.85 1aw0 h ILE 21 Ca -0.05 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.82 1aw0 h ILE 21 Cb 0.38 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1aw0 h ILE 21 CO 0.08 0.00 0.19 -0.08 0.00 0.00 0.00 178.15 178.34 1aw0 h GLU 22 N -0.52 0.39 -0.02 2.37 4.81 -1.15 -0.49 114.58 119.97 1aw0 h GLU 22 Ca 0.01 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1aw0 h GLU 22 Cb 0.52 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 1aw0 h GLU 22 CO -0.12 0.26 -0.13 0.78 -0.73 0.00 0.00 179.01 179.06 1aw0 h GLY 23 N 0.40 -0.15 0.72 1.92 0.00 -0.90 -0.71 103.07 104.34 1aw0 h GLY 23 Ca 0.12 0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.60 1aw0 h GLY 23 CO -0.05 -0.14 -0.18 -2.08 0.00 0.00 0.00 176.54 174.09 1aw0 h VAL 24 N -0.22 0.59 -0.62 4.60 2.07 -1.02 -3.28 116.25 118.37 1aw0 h VAL 24 Ca 0.05 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 1aw0 h VAL 24 Cb 0.29 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1aw0 h VAL 24 CO -0.14 0.08 0.21 0.40 0.02 0.00 0.00 177.57 178.14 1aw0 h ILE 25 N -0.80 1.23 -0.53 4.57 1.08 -1.09 -2.04 117.51 119.93 1aw0 h ILE 25 Ca -0.05 -0.77 0.15 0.00 -0.39 0.00 0.00 64.86 63.80 1aw0 h ILE 25 Cb 0.53 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 1aw0 h ILE 25 CO 0.09 0.30 0.38 0.77 -0.69 0.00 0.00 178.15 178.99 1aw0 h SER 26 N 0.90 0.05 0.22 1.72 4.64 -1.19 -1.63 113.55 118.25 1aw0 h SER 26 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1aw0 h SER 26 Cb 0.23 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1aw0 h SER 26 CO -0.01 0.02 -0.21 0.29 -0.87 0.00 0.00 176.83 176.05 1aw0 n LYS 27 N -4.40 0.91 -2.31 4.77 5.02 -0.77 -4.71 118.16 116.68 1aw0 n LYS 27 Ca 0.10 -0.51 -0.38 0.00 -2.02 0.00 0.00 58.31 55.50 1aw0 n LYS 27 Cb 0.57 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 34.08 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 -2.44 3.99 0.15 1.97 -0.14 -0.61 -4.94 119.74 117.71 1aw0 s LYS 28 Ca 0.26 1.79 -0.31 0.00 -1.36 0.00 0.00 55.97 56.35 1aw0 s LYS 28 Cb 0.20 -2.60 -0.10 0.00 -1.68 0.00 0.00 37.83 33.65 1aw0 s LYS 28 CO 0.49 -0.36 1.62 -1.25 -0.76 0.00 0.00 175.35 175.09 1aw0 s PRO 29 N -2.42 4.20 0.00 -1.68 0.04 -1.26 -2.31 135.00 131.57 1aw0 s PRO 29 Ca 0.59 2.40 0.00 0.00 0.04 0.00 0.00 61.00 64.02 1aw0 s PRO 29 Cb -0.29 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 30.97 1aw0 s PRO 29 CO 0.37 -0.67 0.00 0.41 0.04 0.00 0.00 177.00 177.15 1aw0 n GLY 30 N 3.86 2.68 3.73 0.56 0.00 -1.26 -4.03 105.19 110.73 1aw0 n GLY 30 Ca 0.15 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.20 3.15 0.00 1.61 1.01 -0.98 -1.32 120.40 121.67 1aw0 s VAL 31 Ca 0.00 0.89 0.00 0.00 0.00 0.00 0.00 61.98 62.87 1aw0 s VAL 31 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1aw0 s VAL 31 CO 0.00 0.11 0.00 0.29 0.00 0.00 0.00 175.10 175.50 1aw0 n LYS 32 N 3.16 0.00 -3.24 2.72 5.02 -0.18 -4.87 118.16 120.76 1aw0 n LYS 32 Ca 0.09 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.06 1aw0 n LYS 32 Cb 0.42 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.38 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 -0.37 6.64 -0.15 4.39 1.04 -1.25 -4.95 113.70 119.05 1aw0 s SER 33 Ca 0.00 1.05 -0.09 0.00 0.48 0.00 0.00 55.95 57.39 1aw0 s SER 33 Cb 0.00 -2.28 0.05 0.00 0.10 0.00 0.00 66.02 63.89 1aw0 s SER 33 CO 0.00 -0.17 0.38 -0.51 0.98 0.00 0.00 173.24 173.91 1aw0 s ILE 34 N -1.97 -0.02 -0.43 -1.02 2.07 -1.26 -0.93 121.20 117.63 1aw0 s ILE 34 Ca 0.50 0.08 0.04 0.00 -1.41 0.00 0.00 60.65 59.86 1aw0 s ILE 34 Cb -0.11 -0.56 0.12 0.00 0.13 0.00 0.00 42.46 42.04 1aw0 s ILE 34 CO 0.22 0.03 0.16 -0.13 -1.91 0.00 0.00 174.94 173.31 1aw0 s ARG 35 N 1.15 1.68 -0.17 3.50 3.00 -0.39 -5.01 118.95 122.71 1aw0 s ARG 35 Ca -0.08 -2.21 -0.20 0.00 0.00 0.00 0.00 55.73 53.25 1aw0 s ARG 35 Cb -0.08 -3.17 -0.03 0.00 0.00 0.00 0.00 34.95 31.67 1aw0 s ARG 35 CO -0.10 -1.03 0.56 0.08 0.00 0.00 0.00 175.30 174.82 1aw0 s VAL 36 N 0.34 5.09 -0.13 3.52 1.01 -1.26 -1.41 120.40 127.55 1aw0 s VAL 36 Ca 0.14 1.08 0.02 0.00 0.00 0.00 0.00 61.98 63.22 1aw0 s VAL 36 Cb -0.23 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.27 1aw0 s VAL 36 CO -0.04 0.19 -0.21 -0.55 0.00 0.00 0.00 175.10 174.49 1aw0 s SER 37 N 1.03 3.26 -0.02 3.32 0.15 -0.39 -4.99 113.70 116.06 1aw0 s SER 37 Ca 0.27 -0.55 -0.24 0.00 0.70 0.00 0.00 55.95 56.14 1aw0 s SER 37 Cb -0.16 -1.47 -0.20 0.00 -1.71 0.00 0.00 66.02 62.49 1aw0 s SER 37 CO 0.11 0.11 1.18 0.25 1.20 0.00 0.00 173.24 176.09 1aw0 h LEU 38 N 7.09 0.20 -0.58 3.45 5.85 -1.96 -1.08 115.31 128.29 1aw0 h LEU 38 Ca -0.28 -0.61 0.10 0.00 0.84 0.00 0.00 57.88 57.93 1aw0 h LEU 38 Cb 1.21 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 42.10 1aw0 h LEU 38 CO 0.53 0.78 0.16 0.00 -0.34 0.00 0.00 178.44 179.58 1aw0 h ALA 39 N 0.43 0.71 0.00 1.25 0.00 -1.96 -0.90 119.26 118.79 1aw0 h ALA 39 Ca -0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1aw0 h ALA 39 Cb 0.76 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1aw0 h ALA 39 CO 0.03 -0.26 -0.54 0.09 0.00 0.00 0.00 179.25 178.56 1aw0 n ASN 40 N -5.07 0.54 -3.57 0.00 4.13 -1.25 -4.99 115.26 105.04 1aw0 n ASN 40 Ca 0.08 -0.12 -0.25 0.00 1.68 0.00 0.00 54.58 55.97 1aw0 n ASN 40 Cb 0.29 0.23 0.05 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 -1.69 -4.70 -3.79 6.41 7.64 -0.34 -4.91 113.62 112.25 1aw0 n SER 41 Ca 0.05 -0.89 -0.08 0.00 1.01 0.00 0.00 58.87 58.96 1aw0 n SER 41 Cb 0.37 -4.01 -0.02 0.00 -1.01 0.00 0.00 64.21 59.54 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 -3.66 -0.17 -0.15 6.43 2.20 -0.68 -1.17 114.94 117.75 1aw0 s ASN 42 Ca 0.36 -0.75 -0.01 0.00 -0.94 0.00 0.00 52.86 51.52 1aw0 s ASN 42 Cb -0.10 0.71 0.04 0.00 -2.00 0.00 0.00 41.25 39.90 1aw0 s ASN 42 CO 0.82 -1.33 -0.03 -0.83 -2.94 0.00 0.00 177.10 172.78 1aw0 s GLY 43 N -2.96 0.83 -0.52 0.45 0.00 0.05 -1.26 107.32 103.91 1aw0 s GLY 43 Ca 0.14 -0.67 -0.16 0.00 0.00 0.00 0.00 44.72 44.04 1aw0 s GLY 43 CO 0.08 1.02 0.48 -1.59 0.00 0.00 0.00 173.10 173.10 1aw0 s THR 44 N 1.73 5.18 -0.09 0.90 2.01 -0.50 -1.41 115.64 123.45 1aw0 s THR 44 Ca 0.02 -1.28 -0.02 0.00 0.31 0.00 0.00 61.69 60.71 1aw0 s THR 44 Cb -0.15 -4.27 -0.03 0.00 0.01 0.00 0.00 72.50 68.06 1aw0 s THR 44 CO -0.07 -0.78 0.01 -0.69 -0.69 0.00 0.00 174.62 172.39 1aw0 s VAL 45 N 1.72 4.34 -0.16 3.82 1.01 -0.20 -1.26 120.40 129.67 1aw0 s VAL 45 Ca 0.04 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 1aw0 s VAL 45 Cb -0.27 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 1aw0 s VAL 45 CO 0.05 0.59 -0.02 -0.70 0.00 0.00 0.00 175.10 175.02 1aw0 s GLU 46 N -0.77 3.70 0.23 2.72 2.12 -0.11 -1.31 118.70 125.28 1aw0 s GLU 46 Ca 0.12 -0.49 -0.12 0.00 0.36 0.00 0.00 54.97 54.84 1aw0 s GLU 46 Cb -0.12 -2.96 -0.01 0.00 0.26 0.00 0.00 34.13 31.31 1aw0 s GLU 46 CO 0.02 0.26 0.43 1.52 -0.54 0.00 0.00 175.26 176.96 1aw0 s TYR 47 N 0.32 0.40 -0.37 5.30 1.13 -0.24 -1.01 117.35 122.88 1aw0 s TYR 47 Ca -0.03 -0.74 -0.13 0.00 -1.41 0.00 0.00 57.07 54.76 1aw0 s TYR 47 Cb -0.14 0.11 0.00 0.00 -1.10 0.00 0.00 41.96 40.84 1aw0 s TYR 47 CO 0.02 -0.93 0.26 0.34 -2.51 0.00 0.00 175.55 172.73 1aw0 s ASP 48 N -3.01 6.02 0.32 -0.18 2.15 -0.44 -1.68 116.67 119.85 1aw0 s ASP 48 Ca 0.22 -0.66 0.09 0.00 0.43 0.00 0.00 52.55 52.63 1aw0 s ASP 48 Cb 0.00 -2.13 0.95 0.00 -0.30 0.00 0.00 42.92 41.44 1aw0 s ASP 48 CO 0.07 -0.33 1.62 -0.65 -0.17 0.00 0.00 175.17 175.72 1aw0 h PRO 49 N 8.53 0.16 0.00 4.34 0.11 -1.81 -1.05 132.00 142.28 1aw0 h PRO 49 Ca -0.29 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.73 1aw0 h PRO 49 Cb 1.14 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1aw0 h PRO 49 CO 0.67 0.11 -0.37 -0.07 -0.21 0.00 0.00 178.00 178.13 1aw0 h LEU 50 N 0.16 0.00 0.00 2.35 3.38 -1.95 -3.28 115.31 115.98 1aw0 h LEU 50 Ca 0.67 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 58.26 1aw0 h LEU 50 Cb 1.51 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.19 1aw0 h LEU 50 CO -0.71 0.37 -2.41 0.18 0.09 0.00 0.00 178.44 175.96 1aw0 n LEU 51 N -3.94 1.18 -4.00 1.67 4.77 -0.73 -5.04 117.00 110.90 1aw0 n LEU 51 Ca -0.02 -0.04 -0.10 0.00 -0.03 0.00 0.00 56.01 55.83 1aw0 n LEU 51 Cb 0.42 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.40 1aw0 n LEU 51 CO 0.38 0.67 0.18 0.28 -1.33 0.00 0.00 177.39 177.57 1aw0 s THR 52 N -2.50 0.00 0.13 -5.08 -1.32 -0.48 -4.78 115.64 101.61 1aw0 s THR 52 Ca -0.20 -1.42 -0.05 0.00 -1.21 0.00 0.00 61.69 58.82 1aw0 s THR 52 Cb 0.07 -2.26 -0.02 0.00 -1.51 0.00 0.00 72.50 68.78 1aw0 s THR 52 CO 0.74 0.00 0.16 -0.94 -2.21 0.00 0.00 174.62 172.37 1aw0 s SER 53 N -3.04 0.19 0.34 8.08 1.04 -1.26 -3.62 113.70 115.43 1aw0 s SER 53 Ca 0.23 -0.98 0.09 0.00 0.48 0.00 0.00 55.95 55.76 1aw0 s SER 53 Cb -0.01 0.35 0.81 0.00 0.10 0.00 0.00 66.02 67.27 1aw0 s SER 53 CO 0.10 -0.79 1.83 -0.65 0.98 0.00 0.00 173.24 174.71 1aw0 h PRO 54 N 2.74 0.68 -0.25 4.02 0.11 -1.99 -0.94 132.00 136.38 1aw0 h PRO 54 Ca -0.33 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.70 1aw0 h PRO 54 Cb 1.21 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1aw0 h PRO 54 CO 0.55 0.45 0.01 0.93 -0.21 0.00 0.00 178.00 179.73 1aw0 h GLU 55 N 0.70 0.44 -0.29 1.05 3.07 -1.98 -0.41 114.58 117.16 1aw0 h GLU 55 Ca 0.51 -0.14 -0.01 0.00 -0.50 0.00 0.00 59.36 59.22 1aw0 h GLU 55 Cb 0.85 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.70 1aw0 h GLU 55 CO -0.27 0.60 0.14 1.15 -1.40 0.00 0.00 179.01 179.23 1aw0 h THR 56 N 0.22 1.15 -0.02 1.13 2.02 -1.80 -0.61 112.91 115.00 1aw0 h THR 56 Ca 0.07 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1aw0 h THR 56 Cb 0.40 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1aw0 h THR 56 CO 0.01 0.16 0.01 -0.07 0.37 0.00 0.00 175.52 176.00 1aw0 h LEU 57 N 0.34 0.03 -0.48 2.58 3.38 -1.13 -0.11 115.31 119.91 1aw0 h LEU 57 Ca 0.10 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.15 1aw0 h LEU 57 Cb 0.12 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 1aw0 h LEU 57 CO -0.01 0.03 0.01 -0.09 0.09 0.00 0.00 178.44 178.47 1aw0 h ARG 58 N 0.02 0.12 -0.53 1.13 2.43 -1.02 -1.27 114.38 115.26 1aw0 h ARG 58 Ca 0.01 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1aw0 h ARG 58 Cb 0.01 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.48 1aw0 h ARG 58 CO -0.00 0.08 0.25 0.78 -1.51 0.00 0.00 179.97 179.56 1aw0 h GLY 59 N 0.12 0.74 0.87 2.80 0.00 -0.59 -0.28 103.07 106.73 1aw0 h GLY 59 Ca 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 1aw0 h GLY 59 CO -0.39 0.08 0.05 0.00 0.00 0.00 0.00 176.54 176.28 1aw0 h ALA 60 N 1.31 0.17 -0.81 3.60 0.00 -0.45 0.37 119.26 123.46 1aw0 h ALA 60 Ca 0.24 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1aw0 h ALA 60 Cb 0.20 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1aw0 h ALA 60 CO -0.20 -0.23 0.52 0.82 0.00 0.00 0.00 179.25 180.16 1aw0 h ILE 61 N 0.06 1.16 -0.63 0.00 2.04 -1.08 -0.84 117.51 118.21 1aw0 h ILE 61 Ca 0.04 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 1aw0 h ILE 61 Cb 0.18 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.26 1aw0 h ILE 61 CO -0.00 0.19 0.26 -0.08 0.00 0.00 0.00 178.15 178.52 1aw0 h GLU 62 N 1.04 0.94 -0.72 2.37 4.57 -0.82 -1.91 114.58 120.05 1aw0 h GLU 62 Ca 0.31 -0.17 -0.02 0.00 -1.18 0.00 0.00 59.36 58.30 1aw0 h GLU 62 Cb -0.05 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.35 1aw0 h GLU 62 CO -0.09 0.79 0.36 0.22 -1.18 0.00 0.00 179.01 179.11 1aw0 h ASP 63 N 0.88 0.92 -0.45 1.04 3.58 -0.36 -2.42 116.42 119.62 1aw0 h ASP 63 Ca 0.21 -0.12 0.02 0.00 0.42 0.00 0.00 57.03 57.56 1aw0 h ASP 63 Cb 0.19 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 40.98 1aw0 h ASP 63 CO -0.02 0.78 0.26 0.24 -2.88 0.00 0.00 179.24 177.63 1aw0 h MET 64 N 1.00 0.51 0.00 0.28 2.86 -0.97 -3.47 114.93 115.14 1aw0 h MET 64 Ca 0.25 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1aw0 h MET 64 Cb 0.09 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1aw0 h MET 64 CO -0.03 0.34 0.00 0.41 1.06 0.00 0.00 176.91 178.68 1aw0 n GLY 65 N -1.23 0.19 2.89 8.32 0.00 -0.74 -5.11 105.19 109.51 1aw0 n GLY 65 Ca 0.02 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.69 1.61 0.08 -1.07 -5.02 117.98 112.88 1aw0 s PHE 66 Ca 0.00 0.01 -0.26 0.00 0.12 0.00 0.00 56.93 56.81 1aw0 s PHE 66 Cb 0.00 -0.00 -0.04 0.00 -0.57 0.00 0.00 43.02 42.41 1aw0 s PHE 66 CO 0.00 -0.01 1.96 0.34 -0.10 0.00 0.00 175.22 177.41 1aw0 s ASP 67 N -0.04 5.09 -0.22 1.36 2.15 -0.45 -3.80 116.67 120.76 1aw0 s ASP 67 Ca -0.00 0.09 -0.10 0.00 0.43 0.00 0.00 52.55 52.97 1aw0 s ASP 67 Cb -0.00 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 40.03 1aw0 s ASP 67 CO -0.00 -2.61 0.15 0.00 -0.17 0.00 0.00 175.17 172.54 1aw0 s ALA 68 N 9.94 3.65 -0.14 3.66 0.00 -1.26 -1.27 121.76 136.35 1aw0 s ALA 68 Ca 0.72 -0.77 -0.07 0.00 0.00 0.00 0.00 51.96 51.83 1aw0 s ALA 68 Cb -0.11 -2.25 0.05 0.00 0.00 0.00 0.00 23.12 20.81 1aw0 s ALA 68 CO 0.14 -0.00 0.33 0.99 0.00 0.00 0.00 175.76 177.22 1aw0 s THR 69 N 0.68 -0.03 0.28 0.00 2.01 -0.55 -4.96 115.64 113.06 1aw0 s THR 69 Ca 0.08 0.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.89 1aw0 s THR 69 Cb -0.12 -0.50 -0.12 0.00 0.01 0.00 0.00 72.50 71.77 1aw0 s THR 69 CO 0.01 0.05 1.55 0.18 -0.69 0.00 0.00 174.62 175.72 1aw0 n LEU 70 N 4.19 4.04 -0.12 4.42 4.77 -1.26 -0.18 117.00 132.87 1aw0 n LEU 70 Ca -0.24 1.14 -0.22 0.00 -0.03 0.00 0.00 56.01 56.66 1aw0 n LEU 70 Cb 0.54 -1.55 -0.07 0.00 -2.33 0.00 0.00 43.42 40.01 1aw0 n LEU 70 CO 0.11 -0.00 -1.18 -0.24 -1.33 0.00 0.00 177.39 174.75 1aw0 n SER 71 N 2.20 1.87 0.00 -1.43 2.88 -0.20 -4.72 113.62 114.23 1aw0 n SER 71 Ca 0.09 0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 1aw0 n SER 71 Cb 0.35 -0.76 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 1aw0 n SER 71 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14