#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 0.04 0.15 1.96 2.01 -1.26 -4.27 115.64 114.27 1aw0 s THR 2 Ca 0.00 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.71 1aw0 s THR 2 Cb 0.00 -0.11 -0.04 0.00 0.01 0.00 0.00 72.50 72.36 1aw0 s THR 2 CO 0.00 -0.16 0.03 -1.10 -0.69 0.00 0.00 174.62 172.69 1aw0 s GLN 3 N -0.48 1.03 -0.05 4.92 -0.21 0.05 -4.97 119.66 119.95 1aw0 s GLN 3 Ca -0.05 -1.49 -0.03 0.00 0.02 0.00 0.00 55.36 53.81 1aw0 s GLN 3 Cb -0.03 -0.04 -0.04 0.00 1.00 0.00 0.00 33.01 33.89 1aw0 s GLN 3 CO -0.00 -0.19 0.11 -2.00 -2.12 0.00 0.00 175.29 171.09 1aw0 s GLU 4 N -3.97 3.24 0.01 2.91 2.12 -1.26 -1.16 118.70 120.58 1aw0 s GLU 4 Ca 0.24 -0.34 0.01 0.00 0.36 0.00 0.00 54.97 55.24 1aw0 s GLU 4 Cb 0.07 -2.99 -0.01 0.00 0.26 0.00 0.00 34.13 31.46 1aw0 s GLU 4 CO 0.03 0.70 -0.04 -0.08 -0.54 0.00 0.00 175.26 175.32 1aw0 s THR 5 N -1.13 0.31 -0.14 -1.70 -1.32 -0.49 -5.00 115.64 106.17 1aw0 s THR 5 Ca 0.20 -0.37 0.02 0.00 -1.21 0.00 0.00 61.69 60.34 1aw0 s THR 5 Cb -0.12 -0.30 0.01 0.00 -1.51 0.00 0.00 72.50 70.57 1aw0 s THR 5 CO 0.10 -0.04 -0.21 -0.69 -2.21 0.00 0.00 174.62 171.57 1aw0 s VAL 6 N -0.41 2.15 -0.17 5.08 1.01 -1.26 -1.15 120.40 125.66 1aw0 s VAL 6 Ca -0.02 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.02 1aw0 s VAL 6 Cb -0.03 -1.87 0.02 0.00 0.00 0.00 0.00 36.38 34.50 1aw0 s VAL 6 CO -0.00 0.54 -0.19 -0.63 0.00 0.00 0.00 175.10 174.83 1aw0 s ILE 7 N 0.84 1.94 -0.18 2.22 1.01 -0.57 -0.93 121.20 125.54 1aw0 s ILE 7 Ca -0.06 -0.87 -0.29 0.00 0.00 0.00 0.00 60.65 59.43 1aw0 s ILE 7 Cb -0.15 -1.76 -0.01 0.00 0.01 0.00 0.00 42.46 40.55 1aw0 s ILE 7 CO -0.02 0.52 1.16 0.20 0.00 0.00 0.00 174.94 176.80 1aw0 s ASN 8 N 1.29 7.03 -0.28 3.58 0.01 0.50 -0.74 114.94 126.34 1aw0 s ASN 8 Ca 0.04 1.58 0.02 0.00 -0.71 0.00 0.00 52.86 53.79 1aw0 s ASN 8 Cb -0.13 -2.54 0.07 0.00 0.41 0.00 0.00 41.25 39.06 1aw0 s ASN 8 CO -0.11 -0.70 -0.04 -0.63 -1.51 0.00 0.00 177.10 174.11 1aw0 s ILE 9 N 3.20 1.94 0.01 0.60 1.01 -0.41 -0.92 121.20 126.63 1aw0 s ILE 9 Ca 0.50 -1.69 -0.03 0.00 0.00 0.00 0.00 60.65 59.44 1aw0 s ILE 9 Cb -0.19 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 1aw0 s ILE 9 CO 0.12 -0.23 0.20 1.51 0.00 0.00 0.00 174.94 176.54 1aw0 s ASP 10 N 1.17 6.39 0.00 3.58 -4.77 -0.76 -4.21 116.67 118.06 1aw0 s ASP 10 Ca -0.02 0.36 0.00 0.00 -3.30 0.00 0.00 52.55 49.59 1aw0 s ASP 10 Cb -0.19 -2.01 0.00 0.00 -1.09 0.00 0.00 42.92 39.63 1aw0 s ASP 10 CO -0.07 0.24 0.00 0.61 0.70 0.00 0.00 175.17 176.64 1aw0 n GLY 11 N 0.80 1.53 3.33 2.12 0.00 -1.26 -1.49 105.19 110.21 1aw0 n GLY 11 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 1aw0 n GLY 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1aw0 n MET 12 N -0.42 2.67 -0.02 1.61 2.81 -1.26 -4.78 117.12 117.73 1aw0 n MET 12 Ca 0.00 -2.84 -0.12 0.00 -1.81 0.00 0.00 57.70 52.93 1aw0 n MET 12 Cb 0.00 -3.43 -0.07 0.00 -0.71 0.00 0.00 33.22 29.00 1aw0 n MET 12 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1aw0 h THR 13 N 5.19 1.22 -2.64 2.03 2.02 -1.97 -3.46 112.91 115.30 1aw0 h THR 13 Ca 0.44 -0.67 -0.61 0.00 0.77 0.00 0.00 66.41 66.33 1aw0 h THR 13 Cb 0.81 1.52 -0.14 0.00 -1.74 0.00 0.00 68.15 68.59 1aw0 h THR 13 CO 1.57 0.19 -0.74 0.00 0.37 0.00 0.00 175.52 176.91 1aw0 h ASN 15 N 2.57 0.48 -0.87 0.00 -1.24 -2.01 -0.68 115.58 113.84 1aw0 h ASN 15 Ca -0.44 0.09 0.18 0.00 0.71 0.00 0.00 56.30 56.84 1aw0 h ASN 15 Cb 1.23 0.01 -0.11 0.00 0.73 0.00 0.00 38.32 40.19 1aw0 h ASN 15 CO 0.56 0.09 0.41 0.28 -1.29 0.00 0.00 177.43 177.48 1aw0 h SER 16 N 0.42 0.41 0.87 1.15 0.02 -1.98 0.19 113.55 114.63 1aw0 h SER 16 Ca 0.60 0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 61.63 1aw0 h SER 16 Cb 1.46 0.08 0.01 0.00 0.14 0.00 0.00 62.40 64.09 1aw0 h SER 16 CO -0.32 0.10 -0.42 0.00 -1.14 0.00 0.00 176.83 175.05 1aw0 h VAL 18 N -1.23 0.44 0.31 0.00 2.07 -1.45 -0.69 116.25 115.70 1aw0 h VAL 18 Ca -0.12 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1aw0 h VAL 18 Cb 0.90 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1aw0 h VAL 18 CO 0.20 0.00 -0.16 -0.61 0.02 0.00 0.00 177.57 177.02 1aw0 h GLN 19 N -0.09 -0.42 -0.07 1.57 4.15 -0.97 -0.98 115.11 118.31 1aw0 h GLN 19 Ca 0.21 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.66 1aw0 h GLN 19 Cb 0.41 0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.19 1aw0 h GLN 19 CO -0.49 -0.28 0.04 0.66 -1.93 0.00 0.00 178.83 176.83 1aw0 h SER 20 N -0.43 0.08 0.17 -0.69 4.64 -0.92 -1.39 113.55 115.01 1aw0 h SER 20 Ca -0.04 -0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.28 1aw0 h SER 20 Cb 0.34 -0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 62.37 1aw0 h SER 20 CO 0.06 0.07 -0.40 0.40 -0.87 0.00 0.00 176.83 176.09 1aw0 h ILE 21 N 0.08 0.19 -0.17 0.95 2.04 -1.09 -0.83 117.51 118.67 1aw0 h ILE 21 Ca 0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.93 1aw0 h ILE 21 Cb 0.00 0.19 -0.06 0.00 -0.74 0.00 0.00 36.82 36.21 1aw0 h ILE 21 CO -0.00 0.00 -0.19 -0.08 0.00 0.00 0.00 178.15 177.88 1aw0 h GLU 22 N -0.67 -0.21 0.22 2.37 4.81 -1.04 -0.43 114.58 119.63 1aw0 h GLU 22 Ca 0.01 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1aw0 h GLU 22 Cb 0.67 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 1aw0 h GLU 22 CO -0.20 -0.14 -0.23 0.78 -0.73 0.00 0.00 179.01 178.48 1aw0 h GLY 23 N -0.22 -0.50 0.95 1.92 0.00 -1.12 -1.94 103.07 102.16 1aw0 h GLY 23 Ca 0.11 0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.69 1aw0 h GLY 23 CO -0.30 -0.22 -0.22 -2.08 0.00 0.00 0.00 176.54 173.73 1aw0 h VAL 24 N -0.49 0.55 -0.42 4.60 2.07 -0.92 -3.11 116.25 118.53 1aw0 h VAL 24 Ca 0.00 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1aw0 h VAL 24 Cb 0.46 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1aw0 h VAL 24 CO -0.06 0.02 0.18 0.40 0.02 0.00 0.00 177.57 178.13 1aw0 h ILE 25 N -0.67 1.16 0.00 4.57 1.08 -1.11 -2.22 117.51 120.32 1aw0 h ILE 25 Ca -0.06 -0.47 0.00 0.00 -0.39 0.00 0.00 64.86 63.94 1aw0 h ILE 25 Cb 0.50 0.64 0.00 0.00 -3.07 0.00 0.00 36.82 34.89 1aw0 h ILE 25 CO 0.10 0.19 0.30 -1.28 -0.69 0.00 0.00 178.15 176.77 1aw0 h SER 26 N 0.60 0.00 0.68 1.72 0.87 -1.27 -1.87 113.55 114.28 1aw0 h SER 26 Ca 0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1aw0 h SER 26 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1aw0 h SER 26 CO -0.02 0.00 -0.59 0.29 -0.53 0.00 0.00 176.83 175.99 1aw0 n LYS 27 N -2.82 0.16 -2.50 2.24 5.02 -0.83 -4.86 118.16 114.57 1aw0 n LYS 27 Ca -0.02 0.04 -0.38 0.00 -2.02 0.00 0.00 58.31 55.93 1aw0 n LYS 27 Cb 0.35 -1.59 -0.04 0.00 -0.02 0.00 0.00 35.03 33.73 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 -3.09 4.34 0.16 1.97 3.01 -0.70 -4.96 119.74 120.46 1aw0 s LYS 28 Ca 0.08 1.64 -0.31 0.00 -1.01 0.00 0.00 55.97 56.37 1aw0 s LYS 28 Cb 0.15 -2.80 -0.10 0.00 -1.01 0.00 0.00 37.83 34.08 1aw0 s LYS 28 CO 0.71 -0.02 1.53 -1.25 0.51 0.00 0.00 175.35 176.83 1aw0 s PRO 29 N -2.07 4.24 0.00 -1.68 0.04 -1.26 -2.21 135.00 132.05 1aw0 s PRO 29 Ca 0.53 2.30 0.00 0.00 0.04 0.00 0.00 61.00 63.87 1aw0 s PRO 29 Cb -0.26 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1aw0 s PRO 29 CO 0.33 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 177.22 1aw0 n GLY 30 N 3.60 3.06 3.68 0.56 0.00 -1.26 -4.19 105.19 110.64 1aw0 n GLY 30 Ca 0.13 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.76 3.33 0.00 1.61 1.01 -0.94 -1.47 120.40 123.18 1aw0 s VAL 31 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1aw0 s VAL 31 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1aw0 s VAL 31 CO 0.00 -0.02 0.00 0.29 0.00 0.00 0.00 175.10 175.37 1aw0 n LYS 32 N 5.99 0.00 -3.12 2.72 4.76 -0.08 -4.84 118.16 123.59 1aw0 n LYS 32 Ca 0.16 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.31 1aw0 n LYS 32 Cb 0.42 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.58 1aw0 n LYS 32 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1aw0 s SER 33 N -1.00 6.42 -0.13 4.39 1.04 -1.25 -4.96 113.70 118.21 1aw0 s SER 33 Ca 0.00 0.82 -0.13 0.00 0.48 0.00 0.00 55.95 57.12 1aw0 s SER 33 Cb 0.00 -2.19 0.04 0.00 0.10 0.00 0.00 66.02 63.96 1aw0 s SER 33 CO 0.00 -0.31 0.37 -0.51 0.98 0.00 0.00 173.24 173.77 1aw0 s ILE 34 N -2.27 0.01 -0.03 -1.02 2.07 -1.26 -1.19 121.20 117.50 1aw0 s ILE 34 Ca 0.46 -0.05 0.01 0.00 -1.41 0.00 0.00 60.65 59.66 1aw0 s ILE 34 Cb -0.10 -0.53 0.02 0.00 0.13 0.00 0.00 42.46 41.97 1aw0 s ILE 34 CO 0.33 -0.03 -0.04 -0.13 -1.91 0.00 0.00 174.94 173.17 1aw0 s ARG 35 N 0.03 0.62 -0.09 3.50 1.81 -0.59 -5.03 118.95 119.20 1aw0 s ARG 35 Ca -0.01 -0.08 0.02 0.00 -1.72 0.00 0.00 55.73 53.94 1aw0 s ARG 35 Cb -0.03 -0.66 -0.02 0.00 -0.45 0.00 0.00 34.95 33.79 1aw0 s ARG 35 CO 0.01 -0.05 -0.17 0.08 -0.68 0.00 0.00 175.30 174.49 1aw0 s VAL 36 N 0.73 2.77 -0.11 3.52 1.01 -1.26 -0.90 120.40 126.15 1aw0 s VAL 36 Ca -0.09 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1aw0 s VAL 36 Cb -0.12 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 1aw0 s VAL 36 CO -0.00 0.55 -0.11 -0.55 0.00 0.00 0.00 175.10 175.00 1aw0 s SER 37 N -0.04 4.27 -0.03 3.32 0.15 -0.39 -4.93 113.70 116.03 1aw0 s SER 37 Ca -0.04 -0.22 -0.20 0.00 0.70 0.00 0.00 55.95 56.19 1aw0 s SER 37 Cb -0.14 -1.43 -0.13 0.00 -1.71 0.00 0.00 66.02 62.61 1aw0 s SER 37 CO 0.04 0.23 0.86 0.25 1.20 0.00 0.00 173.24 175.82 1aw0 h LEU 38 N 6.21 -0.34 -0.55 3.45 7.12 -1.93 -1.92 115.31 127.34 1aw0 h LEU 38 Ca -0.34 -0.17 0.11 0.00 0.13 0.00 0.00 57.88 57.60 1aw0 h LEU 38 Cb 1.19 0.09 -0.09 0.00 -0.53 0.00 0.00 40.66 41.32 1aw0 h LEU 38 CO 0.55 0.13 0.05 0.00 -0.13 0.00 0.00 178.44 179.05 1aw0 h ALA 39 N -0.63 0.58 0.00 1.25 0.00 -1.96 -1.02 119.26 117.48 1aw0 h ALA 39 Ca -0.04 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1aw0 h ALA 39 Cb 0.49 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1aw0 h ALA 39 CO 0.07 -0.35 -0.48 0.09 0.00 0.00 0.00 179.25 178.58 1aw0 n ASN 40 N -5.19 0.48 -3.66 0.00 3.02 -1.26 -4.98 115.26 103.66 1aw0 n ASN 40 Ca 0.07 -0.17 -0.26 0.00 -0.03 0.00 0.00 54.58 54.19 1aw0 n ASN 40 Cb 0.30 0.20 0.04 0.00 -0.61 0.00 0.00 39.78 39.70 1aw0 n ASN 40 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1aw0 n SER 41 N -1.54 -3.86 -3.70 6.41 7.64 -0.39 -4.90 113.62 113.27 1aw0 n SER 41 Ca 0.05 -0.93 -0.10 0.00 1.01 0.00 0.00 58.87 58.91 1aw0 n SER 41 Cb 0.34 -3.75 -0.03 0.00 -1.01 0.00 0.00 64.21 59.76 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 -3.79 -0.30 -0.23 6.43 2.20 -1.06 -1.28 114.94 116.91 1aw0 s ASN 42 Ca 0.30 -0.43 0.02 0.00 -0.94 0.00 0.00 52.86 51.81 1aw0 s ASN 42 Cb -0.09 0.59 0.05 0.00 -2.00 0.00 0.00 41.25 39.79 1aw0 s ASN 42 CO 0.84 -1.06 -0.13 -0.83 -2.94 0.00 0.00 177.10 172.97 1aw0 s GLY 43 N -2.86 1.52 -0.44 0.45 0.00 0.08 -1.26 107.32 104.81 1aw0 s GLY 43 Ca 0.08 -1.52 -0.16 0.00 0.00 0.00 0.00 44.72 43.13 1aw0 s GLY 43 CO -0.04 0.53 0.37 -1.59 0.00 0.00 0.00 173.10 172.38 1aw0 s THR 44 N 1.20 5.21 -0.11 0.90 2.01 -0.08 -1.51 115.64 123.27 1aw0 s THR 44 Ca -0.04 -0.78 0.02 0.00 0.31 0.00 0.00 61.69 61.20 1aw0 s THR 44 Cb -0.17 -4.04 -0.01 0.00 0.01 0.00 0.00 72.50 68.29 1aw0 s THR 44 CO -0.08 -0.45 -0.19 -0.69 -0.69 0.00 0.00 174.62 172.52 1aw0 s VAL 45 N 1.76 2.51 -0.17 3.82 1.01 -0.30 -1.54 120.40 127.49 1aw0 s VAL 45 Ca 0.06 -0.86 -0.16 0.00 0.00 0.00 0.00 61.98 61.01 1aw0 s VAL 45 Cb -0.21 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1aw0 s VAL 45 CO 0.09 0.54 0.41 -1.61 0.00 0.00 0.00 175.10 174.54 1aw0 s GLU 46 N 0.32 4.25 0.05 2.72 0.41 -0.33 -1.40 118.70 124.72 1aw0 s GLU 46 Ca -0.15 0.28 -0.12 0.00 -0.41 0.00 0.00 54.97 54.57 1aw0 s GLU 46 Cb -0.17 -3.48 0.01 0.00 -1.78 0.00 0.00 34.13 28.71 1aw0 s GLU 46 CO 0.07 0.07 0.27 1.52 -0.49 0.00 0.00 175.26 176.71 1aw0 s TYR 47 N 0.94 -0.05 -0.34 1.61 1.13 -0.31 -0.90 117.35 119.43 1aw0 s TYR 47 Ca 0.21 -0.14 -0.17 0.00 -1.41 0.00 0.00 57.07 55.57 1aw0 s TYR 47 Cb -0.15 0.06 -0.01 0.00 -1.10 0.00 0.00 41.96 40.77 1aw0 s TYR 47 CO 0.08 -0.50 0.45 0.34 -2.51 0.00 0.00 175.55 173.41 1aw0 s ASP 48 N -2.16 6.26 0.41 -0.18 2.15 -0.54 -0.77 116.67 121.84 1aw0 s ASP 48 Ca -0.04 -0.10 0.23 0.00 0.43 0.00 0.00 52.55 53.07 1aw0 s ASP 48 Cb -0.00 -2.24 1.22 0.00 -0.30 0.00 0.00 42.92 41.60 1aw0 s ASP 48 CO -0.04 -0.41 1.71 -0.65 -0.17 0.00 0.00 175.17 175.60 1aw0 h PRO 49 N 8.45 0.27 0.00 4.34 0.11 -1.81 -0.68 132.00 142.68 1aw0 h PRO 49 Ca -0.29 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.75 1aw0 h PRO 49 Cb 1.13 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1aw0 h PRO 49 CO 0.74 0.18 -0.28 -0.07 -0.21 0.00 0.00 178.00 178.35 1aw0 h LEU 50 N 0.27 0.00 0.00 2.35 3.38 -1.93 -3.33 115.31 116.05 1aw0 h LEU 50 Ca 0.68 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.44 1aw0 h LEU 50 Cb 1.91 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.62 1aw0 h LEU 50 CO -0.36 0.28 -1.80 0.18 0.09 0.00 0.00 178.44 176.84 1aw0 n LEU 51 N -4.10 0.98 0.00 1.67 4.77 -0.60 -5.07 117.00 114.64 1aw0 n LEU 51 Ca -0.02 -0.03 -0.16 0.00 -0.03 0.00 0.00 56.01 55.78 1aw0 n LEU 51 Cb 0.34 0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.41 1aw0 n LEU 51 CO 0.37 0.43 0.13 1.07 -1.33 0.00 0.00 177.39 178.07 1aw0 n THR 52 N -2.59 0.00 -3.82 -5.08 5.66 -0.36 -4.74 114.28 103.35 1aw0 n THR 52 Ca -0.21 -1.92 -0.09 0.00 -3.05 0.00 0.00 64.05 58.78 1aw0 n THR 52 Cb 0.84 1.14 -0.06 0.00 -1.55 0.00 0.00 70.33 70.70 1aw0 n THR 52 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1aw0 s SER 53 N -3.24 -0.03 0.30 1.09 1.04 -1.26 -3.74 113.70 107.85 1aw0 s SER 53 Ca 0.31 -0.61 0.05 0.00 0.48 0.00 0.00 55.95 56.18 1aw0 s SER 53 Cb -0.01 0.43 0.70 0.00 0.10 0.00 0.00 66.02 67.24 1aw0 s SER 53 CO 0.22 -0.85 1.79 -0.65 0.98 0.00 0.00 173.24 174.74 1aw0 h PRO 54 N 2.53 0.79 -0.22 4.02 0.11 -1.98 -0.99 132.00 136.26 1aw0 h PRO 54 Ca -0.33 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.71 1aw0 h PRO 54 Cb 1.23 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1aw0 h PRO 54 CO 0.49 0.52 0.04 0.93 -0.21 0.00 0.00 178.00 179.78 1aw0 h GLU 55 N 0.81 0.35 -0.27 1.05 5.08 -1.98 -0.21 114.58 119.41 1aw0 h GLU 55 Ca 0.56 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 1aw0 h GLU 55 Cb 0.82 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1aw0 h GLU 55 CO -0.36 0.48 0.18 1.15 -1.00 0.00 0.00 179.01 179.46 1aw0 h THR 56 N 0.16 1.07 0.04 1.13 2.02 -1.81 -0.57 112.91 114.95 1aw0 h THR 56 Ca 0.07 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 1aw0 h THR 56 Cb 0.30 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1aw0 h THR 56 CO 0.00 0.07 -0.02 -0.07 0.37 0.00 0.00 175.52 175.87 1aw0 h LEU 57 N 0.37 -0.05 -0.64 2.58 3.38 -1.12 -0.45 115.31 119.38 1aw0 h LEU 57 Ca 0.10 -0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.15 1aw0 h LEU 57 Cb -0.04 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.63 1aw0 h LEU 57 CO -0.02 0.01 0.12 -0.09 0.09 0.00 0.00 178.44 178.55 1aw0 h ARG 58 N -0.11 0.23 -0.47 1.13 2.43 -0.93 -0.81 114.38 115.85 1aw0 h ARG 58 Ca -0.01 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.21 1aw0 h ARG 58 Cb 0.09 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.54 1aw0 h ARG 58 CO 0.01 0.15 0.17 0.78 -1.51 0.00 0.00 179.97 179.57 1aw0 h GLY 59 N 0.24 0.62 0.93 2.80 0.00 -0.58 -0.60 103.07 106.48 1aw0 h GLY 59 Ca 0.34 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 1aw0 h GLY 59 CO -0.45 0.02 0.13 0.00 0.00 0.00 0.00 176.54 176.24 1aw0 h ALA 60 N 1.31 0.33 -0.59 3.60 0.00 0.09 0.56 119.26 124.56 1aw0 h ALA 60 Ca 0.22 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1aw0 h ALA 60 Cb 0.22 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1aw0 h ALA 60 CO -0.22 -0.11 0.35 0.82 0.00 0.00 0.00 179.25 180.09 1aw0 h ILE 61 N 0.29 1.06 -0.65 0.00 1.08 -1.03 -0.89 117.51 117.37 1aw0 h ILE 61 Ca 0.09 -0.24 -0.05 0.00 -0.39 0.00 0.00 64.86 64.27 1aw0 h ILE 61 Cb 0.11 0.30 -0.03 0.00 -3.07 0.00 0.00 36.82 34.13 1aw0 h ILE 61 CO -0.01 0.13 0.21 -0.08 -0.69 0.00 0.00 178.15 177.71 1aw0 h GLU 62 N 0.70 0.99 -0.47 2.37 4.57 -0.79 -0.88 114.58 121.07 1aw0 h GLU 62 Ca 0.24 -0.19 -0.04 0.00 -1.18 0.00 0.00 59.36 58.19 1aw0 h GLU 62 Cb 0.04 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.45 1aw0 h GLU 62 CO -0.11 0.84 0.13 0.22 -1.18 0.00 0.00 179.01 178.92 1aw0 h ASP 63 N 0.96 0.69 -0.87 1.04 3.58 -0.44 -2.58 116.42 118.79 1aw0 h ASP 63 Ca 0.21 -0.22 0.03 0.00 0.42 0.00 0.00 57.03 57.47 1aw0 h ASP 63 Cb 0.26 -0.18 -0.05 0.00 1.72 0.00 0.00 39.33 41.08 1aw0 h ASP 63 CO -0.01 0.73 0.57 0.24 -2.88 0.00 0.00 179.24 177.89 1aw0 h MET 64 N 0.62 1.08 0.00 0.28 2.86 -0.84 -3.47 114.93 115.47 1aw0 h MET 64 Ca 0.15 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1aw0 h MET 64 Cb 0.29 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1aw0 h MET 64 CO -0.00 0.72 0.00 0.41 1.06 0.00 0.00 176.91 179.10 1aw0 n GLY 65 N -1.34 0.54 2.88 8.32 0.00 -0.37 -5.11 105.19 110.11 1aw0 n GLY 65 Ca 0.11 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.01 -0.77 1.61 0.08 -0.99 -5.01 117.98 112.89 1aw0 s PHE 66 Ca 0.00 0.03 -0.26 0.00 0.12 0.00 0.00 56.93 56.82 1aw0 s PHE 66 Cb 0.00 -0.00 -0.00 0.00 -0.57 0.00 0.00 43.02 42.45 1aw0 s PHE 66 CO 0.00 -0.01 1.66 -0.51 -0.10 0.00 0.00 175.22 176.27 1aw0 s ASP 67 N 0.03 5.66 -0.18 1.36 1.01 -0.56 -3.67 116.67 120.32 1aw0 s ASP 67 Ca -0.00 -0.36 -0.09 0.00 0.71 0.00 0.00 52.55 52.81 1aw0 s ASP 67 Cb -0.00 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.33 1aw0 s ASP 67 CO -0.00 -2.18 0.13 0.00 0.21 0.00 0.00 175.17 173.33 1aw0 s ALA 68 N 7.80 3.74 -0.01 5.23 0.00 -1.26 -1.83 121.76 135.42 1aw0 s ALA 68 Ca 0.56 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.85 1aw0 s ALA 68 Cb -0.08 -2.12 0.01 0.00 0.00 0.00 0.00 23.12 20.93 1aw0 s ALA 68 CO 0.10 0.28 -0.01 0.95 0.00 0.00 0.00 175.76 177.08 1aw0 s THR 69 N -0.02 0.15 0.16 0.00 -4.23 -0.10 -4.99 115.64 106.62 1aw0 s THR 69 Ca 0.10 0.01 -0.31 0.00 -1.18 0.00 0.00 61.69 60.31 1aw0 s THR 69 Cb -0.11 -0.19 -0.08 0.00 1.34 0.00 0.00 72.50 73.45 1aw0 s THR 69 CO -0.00 0.09 1.35 -0.76 -0.54 0.00 0.00 174.62 174.76 1aw0 s LEU 70 N 0.49 4.39 -0.25 4.79 1.43 -1.26 -0.37 118.68 127.90 1aw0 s LEU 70 Ca -0.05 2.38 -0.16 0.00 -1.03 0.00 0.00 54.13 55.28 1aw0 s LEU 70 Cb -0.07 -3.60 -0.12 0.00 0.03 0.00 0.00 46.19 42.42 1aw0 s LEU 70 CO -0.01 -0.59 -0.23 -1.20 0.23 0.00 0.00 176.35 174.55 1aw0 n SER 71 N 3.19 1.93 0.00 2.29 7.64 -0.10 -4.81 113.62 123.75 1aw0 n SER 71 Ca 0.08 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.33 1aw0 n SER 71 Cb 0.42 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 1aw0 n SER 71 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13