#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 2.01 0.09 1.96 -4.23 -1.26 -3.90 115.64 110.32 2aw0 s THR 2 Ca 0.00 -1.26 0.07 0.00 -1.18 0.00 0.00 61.69 59.32 2aw0 s THR 2 Cb 0.00 -2.01 -0.03 0.00 1.34 0.00 0.00 72.50 71.80 2aw0 s THR 2 CO 0.00 0.20 -0.19 -1.10 -0.54 0.00 0.00 174.62 172.99 2aw0 s GLN 3 N 1.23 1.06 0.11 3.99 -1.52 -0.43 -4.98 119.66 119.12 2aw0 s GLN 3 Ca -0.03 -1.11 0.11 0.00 -1.95 0.00 0.00 55.36 52.38 2aw0 s GLN 3 Cb -0.17 -1.26 -0.04 0.00 -0.22 0.00 0.00 33.01 31.32 2aw0 s GLN 3 CO -0.08 0.29 -0.26 -1.21 -0.25 0.00 0.00 175.29 173.78 2aw0 s GLU 4 N -1.86 1.49 -0.02 2.91 2.02 -1.26 -0.89 118.70 121.09 2aw0 s GLU 4 Ca 0.05 -1.30 -0.08 0.00 0.02 0.00 0.00 54.97 53.66 2aw0 s GLU 4 Cb -0.10 -1.93 0.01 0.00 0.10 0.00 0.00 34.13 32.21 2aw0 s GLU 4 CO 0.04 0.46 0.18 -0.08 0.02 0.00 0.00 175.26 175.88 2aw0 s THR 5 N -1.02 0.05 -0.17 3.63 -1.32 -0.60 -5.02 115.64 111.20 2aw0 s THR 5 Ca 0.14 -0.45 -0.02 0.00 -1.21 0.00 0.00 61.69 60.15 2aw0 s THR 5 Cb -0.10 -0.41 -0.01 0.00 -1.51 0.00 0.00 72.50 70.46 2aw0 s THR 5 CO 0.06 -0.25 -0.09 -0.69 -2.21 0.00 0.00 174.62 171.44 2aw0 s VAL 6 N -0.93 3.20 -0.09 5.08 1.01 -1.26 -1.32 120.40 126.10 2aw0 s VAL 6 Ca -0.10 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.34 2aw0 s VAL 6 Cb -0.05 -2.39 -0.00 0.00 0.00 0.00 0.00 36.38 33.93 2aw0 s VAL 6 CO 0.02 0.48 -0.24 -0.63 0.00 0.00 0.00 175.10 174.73 2aw0 s ILE 7 N 0.83 2.02 -0.17 2.22 1.01 -0.36 -0.82 121.20 125.94 2aw0 s ILE 7 Ca -0.03 -1.01 -0.29 0.00 0.00 0.00 0.00 60.65 59.32 2aw0 s ILE 7 Cb -0.15 -1.74 -0.00 0.00 0.01 0.00 0.00 42.46 40.58 2aw0 s ILE 7 CO 0.01 0.56 0.99 0.20 0.00 0.00 0.00 174.94 176.70 2aw0 s ASN 8 N 0.20 7.13 -0.54 3.58 0.02 0.33 -0.65 114.94 125.02 2aw0 s ASN 8 Ca -0.14 1.41 -0.06 0.00 -1.02 0.00 0.00 52.86 53.05 2aw0 s ASN 8 Cb -0.17 -2.53 0.14 0.00 0.02 0.00 0.00 41.25 38.71 2aw0 s ASN 8 CO 0.07 -0.53 0.38 -0.63 0.02 0.00 0.00 177.10 176.41 2aw0 s ILE 9 N 2.54 3.95 0.01 0.60 1.09 -0.63 -2.21 121.20 126.55 2aw0 s ILE 9 Ca 0.45 -2.32 -0.03 0.00 -1.10 0.00 0.00 60.65 57.64 2aw0 s ILE 9 Cb -0.17 -3.59 -0.04 0.00 -1.06 0.00 0.00 42.46 37.60 2aw0 s ILE 9 CO 0.12 -0.82 0.21 -0.62 -0.10 0.00 0.00 174.94 173.74 2aw0 s ASP 10 N 1.74 6.40 0.00 3.58 2.15 -0.63 -4.22 116.67 125.68 2aw0 s ASP 10 Ca 0.11 0.39 0.00 0.00 0.43 0.00 0.00 52.55 53.48 2aw0 s ASP 10 Cb -0.22 -2.02 0.00 0.00 -0.30 0.00 0.00 42.92 40.39 2aw0 s ASP 10 CO -0.03 0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.81 2aw0 n GLY 11 N 0.82 0.85 3.77 2.66 0.00 -1.26 -1.09 105.19 110.95 2aw0 n GLY 11 Ca -0.09 -0.47 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 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 -3.50 4.61 -0.07 1.61 -1.94 -1.26 -4.83 119.30 113.93 2aw0 s MET 12 Ca 0.00 1.39 -0.15 0.00 -1.71 0.00 0.00 55.69 55.22 2aw0 s MET 12 Cb 0.00 -2.89 -0.30 0.00 2.01 0.00 0.00 34.83 33.65 2aw0 s MET 12 CO 0.00 0.30 0.67 1.79 -0.01 0.00 0.00 175.02 177.77 2aw0 h THR 13 N 2.70 1.09 -2.79 2.05 1.35 -1.97 -3.50 112.91 111.84 2aw0 h THR 13 Ca -0.47 -2.48 0.05 0.00 -0.55 0.00 0.00 66.41 62.97 2aw0 h THR 13 Cb 1.20 2.82 -0.01 0.00 -1.73 0.00 0.00 68.15 70.43 2aw0 h THR 13 CO 0.65 0.76 0.40 0.00 -0.25 0.00 0.00 175.52 177.09 2aw0 h ASN 15 N 1.94 0.00 -0.85 0.00 -1.24 -2.01 -2.29 115.58 111.14 2aw0 h ASN 15 Ca -0.30 0.00 0.18 0.00 0.71 0.00 0.00 56.30 56.88 2aw0 h ASN 15 Cb 1.20 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 40.19 2aw0 h ASN 15 CO 0.39 0.07 0.56 0.28 -1.29 0.00 0.00 177.43 177.45 2aw0 h SER 16 N 0.00 0.44 -0.18 1.15 0.02 -2.00 -1.26 113.55 111.72 2aw0 h SER 16 Ca -0.00 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.00 2aw0 h SER 16 Cb 0.21 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 2aw0 h SER 16 CO 0.01 0.20 0.05 0.00 -1.14 0.00 0.00 176.83 175.95 2aw0 h VAL 18 N 0.13 0.46 0.22 0.00 2.07 -1.40 -0.09 116.25 117.64 2aw0 h VAL 18 Ca 0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.60 2aw0 h VAL 18 Cb 0.06 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 2aw0 h VAL 18 CO -0.09 0.00 -0.20 -0.61 0.02 0.00 0.00 177.57 176.69 2aw0 h GLN 19 N -0.11 -0.43 -0.48 1.57 -0.00 -1.27 -1.87 115.11 112.52 2aw0 h GLN 19 Ca 0.19 0.03 0.07 0.00 -0.00 0.00 0.00 58.65 58.94 2aw0 h GLN 19 Cb 0.40 0.10 -0.06 0.00 0.00 0.00 0.00 27.48 27.92 2aw0 h GLN 19 CO -0.45 -0.29 0.15 0.77 0.00 0.00 0.00 178.83 179.01 2aw0 h SER 20 N -0.45 0.13 0.91 -0.69 0.02 -0.67 0.49 113.55 113.29 2aw0 h SER 20 Ca -0.00 0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 2aw0 h SER 20 Cb 0.41 0.06 0.01 0.00 0.14 0.00 0.00 62.40 63.02 2aw0 h SER 20 CO -0.04 0.10 -0.44 0.40 -1.14 0.00 0.00 176.83 175.72 2aw0 h ILE 21 N 0.32 0.08 -0.55 3.27 2.04 -0.87 -1.42 117.51 120.38 2aw0 h ILE 21 Ca 0.23 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 66.05 2aw0 h ILE 21 Cb 0.26 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 2aw0 h ILE 21 CO -0.26 0.00 0.32 1.05 0.00 0.00 0.00 178.15 179.27 2aw0 h GLU 22 N -1.25 0.74 0.66 2.37 -0.00 -1.25 -0.98 114.58 114.87 2aw0 h GLU 22 Ca -0.12 -0.06 -0.03 0.00 -0.00 0.00 0.00 59.36 59.15 2aw0 h GLU 22 Cb 0.94 -0.16 -0.01 0.00 -0.00 0.00 0.00 28.75 29.52 2aw0 h GLU 22 CO 0.21 0.53 -0.49 0.78 -0.00 0.00 0.00 179.01 180.03 2aw0 h GLY 23 N 0.80 -1.30 0.77 1.06 0.00 -0.73 -0.37 103.07 103.30 2aw0 h GLY 23 Ca 0.20 0.56 -0.02 0.00 0.00 0.00 0.00 47.33 48.07 2aw0 h GLY 23 CO -0.04 -0.42 -0.41 -2.08 0.00 0.00 0.00 176.54 173.60 2aw0 h VAL 24 N -1.10 0.17 -0.87 4.60 2.07 -1.09 -3.26 116.25 116.77 2aw0 h VAL 24 Ca -0.09 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.44 2aw0 h VAL 24 Cb 0.91 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 2aw0 h VAL 24 CO 0.03 0.00 0.58 0.40 0.02 0.00 0.00 177.57 178.60 2aw0 h ILE 25 N -0.96 1.23 -0.60 4.57 2.04 -1.17 -1.59 117.51 121.02 2aw0 h ILE 25 Ca -0.07 -0.41 0.16 0.00 1.00 0.00 0.00 64.86 65.54 2aw0 h ILE 25 Cb 0.80 -0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 2aw0 h ILE 25 CO 0.04 0.22 0.42 0.77 0.00 0.00 0.00 178.15 179.61 2aw0 h SER 26 N 1.18 0.08 0.60 1.72 4.64 -1.10 -1.30 113.55 119.37 2aw0 h SER 26 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2aw0 h SER 26 Cb -0.13 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 2aw0 h SER 26 CO -0.07 0.04 -0.53 0.29 -0.87 0.00 0.00 176.83 175.69 2aw0 n LYS 27 N -4.39 0.08 -2.21 4.77 5.02 -0.61 -4.82 118.16 116.00 2aw0 n LYS 27 Ca 0.11 0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 56.02 2aw0 n LYS 27 Cb 0.62 -1.55 -0.02 0.00 -0.02 0.00 0.00 35.03 34.06 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 -3.05 4.28 0.17 1.97 1.02 -0.49 -4.95 119.74 118.69 2aw0 s LYS 28 Ca 0.10 2.05 -0.31 0.00 0.02 0.00 0.00 55.97 57.83 2aw0 s LYS 28 Cb 0.16 -2.96 -0.09 0.00 -0.52 0.00 0.00 37.83 34.42 2aw0 s LYS 28 CO 0.70 -0.19 1.48 -1.25 -0.92 0.00 0.00 175.35 175.17 2aw0 s PRO 29 N -1.91 4.26 0.00 -1.68 0.04 -1.26 -2.42 135.00 132.03 2aw0 s PRO 29 Ca 0.51 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.81 2aw0 s PRO 29 Cb -0.36 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.01 2aw0 s PRO 29 CO 0.47 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.42 2aw0 n GLY 30 N 3.29 2.61 3.76 0.56 0.00 -1.26 -3.92 105.19 110.23 2aw0 n GLY 30 Ca 0.11 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.95 2.78 0.00 1.61 1.01 -1.02 -1.19 120.40 121.65 2aw0 s VAL 31 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.74 2aw0 s VAL 31 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.90 2aw0 s VAL 31 CO 0.00 0.17 0.00 0.29 0.00 0.00 0.00 175.10 175.56 2aw0 n LYS 32 N 1.11 0.00 -2.79 2.72 5.02 -0.28 -4.94 118.16 119.00 2aw0 n LYS 32 Ca 0.01 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.93 2aw0 n LYS 32 Cb 0.42 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.36 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 1.00 7.30 -0.09 4.39 1.04 -1.26 -4.91 113.70 121.18 2aw0 s SER 33 Ca 0.00 1.82 -0.14 0.00 0.48 0.00 0.00 55.95 58.11 2aw0 s SER 33 Cb 0.00 -2.58 0.03 0.00 0.10 0.00 0.00 66.02 63.58 2aw0 s SER 33 CO 0.00 -0.09 0.36 -0.51 0.98 0.00 0.00 173.24 173.97 2aw0 s ILE 34 N -1.66 0.02 -0.02 -1.02 2.07 -1.26 -1.05 121.20 118.28 2aw0 s ILE 34 Ca 0.51 -0.18 -0.00 0.00 -1.41 0.00 0.00 60.65 59.57 2aw0 s ILE 34 Cb -0.18 -0.57 0.02 0.00 0.13 0.00 0.00 42.46 41.87 2aw0 s ILE 34 CO 0.23 -0.10 0.03 -0.60 -1.91 0.00 0.00 174.94 172.59 2aw0 s ARG 35 N -0.42 -0.02 0.06 3.50 6.06 -0.55 -5.04 118.95 122.54 2aw0 s ARG 35 Ca -0.05 0.17 0.08 0.00 -2.50 0.00 0.00 55.73 53.42 2aw0 s ARG 35 Cb -0.04 -0.20 -0.03 0.00 0.06 0.00 0.00 34.95 34.75 2aw0 s ARG 35 CO 0.02 -0.14 -0.22 0.08 -2.50 0.00 0.00 175.30 172.55 2aw0 s VAL 36 N 0.88 1.75 -0.02 7.11 1.01 -1.26 -0.82 120.40 129.05 2aw0 s VAL 36 Ca -0.07 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 60.61 2aw0 s VAL 36 Cb -0.10 -1.53 0.02 0.00 0.00 0.00 0.00 36.38 34.76 2aw0 s VAL 36 CO -0.03 0.18 0.01 -0.55 0.00 0.00 0.00 175.10 174.71 2aw0 s SER 37 N -1.33 0.18 -0.07 3.32 0.15 -0.47 -5.01 113.70 110.46 2aw0 s SER 37 Ca 0.08 0.01 -0.27 0.00 0.70 0.00 0.00 55.95 56.46 2aw0 s SER 37 Cb -0.09 -0.09 -0.23 0.00 -1.71 0.00 0.00 66.02 63.90 2aw0 s SER 37 CO 0.02 -0.08 1.04 0.25 1.20 0.00 0.00 173.24 175.68 2aw0 h LEU 38 N 6.95 0.00 -0.61 3.45 5.85 -1.96 -1.36 115.31 127.63 2aw0 h LEU 38 Ca -0.39 -0.72 0.11 0.00 0.84 0.00 0.00 57.88 57.72 2aw0 h LEU 38 Cb 1.15 -0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.10 2aw0 h LEU 38 CO 0.49 0.72 0.18 0.00 -0.34 0.00 0.00 178.44 179.49 2aw0 h ALA 39 N 0.28 0.77 0.00 1.25 0.00 -1.97 -0.88 119.26 118.71 2aw0 h ALA 39 Ca -0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2aw0 h ALA 39 Cb 0.72 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2aw0 h ALA 39 CO 0.00 -0.25 -0.58 0.09 0.00 0.00 0.00 179.25 178.51 2aw0 n ASN 40 N -5.06 0.57 -3.70 0.00 4.13 -1.26 -4.99 115.26 104.96 2aw0 n ASN 40 Ca 0.09 -0.10 -0.23 0.00 1.68 0.00 0.00 54.58 56.03 2aw0 n ASN 40 Cb 0.31 0.25 0.03 0.00 -1.54 0.00 0.00 39.78 38.83 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 -1.76 -1.99 -3.69 6.41 7.64 -0.34 -4.94 113.62 114.95 2aw0 n SER 41 Ca 0.04 -0.86 -0.09 0.00 1.01 0.00 0.00 58.87 58.97 2aw0 n SER 41 Cb 0.38 -3.93 -0.03 0.00 -1.01 0.00 0.00 64.21 59.62 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 -4.18 0.03 -0.12 6.43 4.22 -0.85 -1.61 114.94 118.86 2aw0 s ASN 42 Ca 0.10 -0.97 -0.04 0.00 -2.14 0.00 0.00 52.86 49.81 2aw0 s ASN 42 Cb -0.03 0.67 0.06 0.00 1.28 0.00 0.00 41.25 43.23 2aw0 s ASN 42 CO 0.82 -1.30 0.15 -0.83 -2.04 0.00 0.00 177.10 173.90 2aw0 s GLY 43 N -3.03 0.11 -0.34 0.45 0.00 0.18 -1.37 107.32 103.32 2aw0 s GLY 43 Ca 0.20 0.30 -0.13 0.00 0.00 0.00 0.00 44.72 45.09 2aw0 s GLY 43 CO 0.11 1.75 0.26 -1.59 0.00 0.00 0.00 173.10 173.62 2aw0 s THR 44 N 2.26 5.27 -0.07 0.90 2.01 -0.00 -1.22 115.64 124.78 2aw0 s THR 44 Ca 0.04 -0.16 0.02 0.00 0.31 0.00 0.00 61.69 61.90 2aw0 s THR 44 Cb -0.13 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.66 2aw0 s THR 44 CO -0.07 -0.01 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.03 2aw0 s VAL 45 N 1.77 1.19 -0.14 3.82 1.01 -0.43 -1.48 120.40 126.14 2aw0 s VAL 45 Ca 0.07 -0.50 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 2aw0 s VAL 45 Cb -0.17 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 2aw0 s VAL 45 CO 0.11 0.37 0.22 -0.70 0.00 0.00 0.00 175.10 175.10 2aw0 s GLU 46 N 0.74 4.00 0.20 2.72 2.12 -0.21 -1.56 118.70 126.71 2aw0 s GLU 46 Ca -0.13 -0.01 -0.12 0.00 0.36 0.00 0.00 54.97 55.07 2aw0 s GLU 46 Cb -0.16 -3.34 -0.00 0.00 0.26 0.00 0.00 34.13 30.89 2aw0 s GLU 46 CO 0.03 0.44 0.40 1.52 -0.54 0.00 0.00 175.26 177.11 2aw0 s TYR 47 N -0.11 0.31 -0.35 5.30 1.13 -0.07 -1.13 117.35 122.44 2aw0 s TYR 47 Ca 0.15 -0.66 -0.12 0.00 -1.41 0.00 0.00 57.07 55.02 2aw0 s TYR 47 Cb -0.13 0.11 -0.00 0.00 -1.10 0.00 0.00 41.96 40.84 2aw0 s TYR 47 CO 0.03 -0.86 0.23 0.34 -2.51 0.00 0.00 175.55 172.78 2aw0 s ASP 48 N -2.97 5.91 0.36 -0.18 -1.08 -0.33 -1.31 116.67 117.06 2aw0 s ASP 48 Ca 0.18 -0.60 0.17 0.00 -0.52 0.00 0.00 52.55 51.79 2aw0 s ASP 48 Cb 0.01 -2.10 1.18 0.00 -1.46 0.00 0.00 42.92 40.55 2aw0 s ASP 48 CO 0.03 -0.28 1.64 -0.65 0.52 0.00 0.00 175.17 176.43 2aw0 h PRO 49 N 8.48 0.22 -0.33 4.34 0.11 -1.81 -1.60 132.00 141.42 2aw0 h PRO 49 Ca -0.30 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.75 2aw0 h PRO 49 Cb 1.14 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 2aw0 h PRO 49 CO 0.65 0.14 -0.01 -0.07 -0.21 0.00 0.00 178.00 178.50 2aw0 h LEU 50 N 0.22 0.47 0.00 2.35 3.38 -1.94 -3.28 115.31 116.52 2aw0 h LEU 50 Ca 0.77 -0.09 -0.29 0.00 0.09 0.00 0.00 57.88 58.36 2aw0 h LEU 50 Cb 1.88 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 42.45 2aw0 h LEU 50 CO -0.64 0.55 -2.17 0.18 0.09 0.00 0.00 178.44 176.45 2aw0 n LEU 51 N -4.28 0.00 -3.86 1.67 4.77 -0.74 -5.03 117.00 109.53 2aw0 n LEU 51 Ca 0.01 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.90 2aw0 n LEU 51 Cb 0.25 0.40 -0.05 0.00 -2.33 0.00 0.00 43.42 41.68 2aw0 n LEU 51 CO 0.39 0.40 0.17 0.28 -1.33 0.00 0.00 177.39 177.30 2aw0 s THR 52 N -2.49 0.03 0.18 -5.08 -1.32 -0.68 -4.80 115.64 101.48 2aw0 s THR 52 Ca -0.08 -1.09 -0.00 0.00 -1.21 0.00 0.00 61.69 59.30 2aw0 s THR 52 Cb 0.06 -1.78 -0.04 0.00 -1.51 0.00 0.00 72.50 69.22 2aw0 s THR 52 CO 0.72 -0.15 0.08 -0.94 -2.21 0.00 0.00 174.62 172.12 2aw0 s SER 53 N -2.93 0.46 0.32 8.08 1.04 -1.26 -3.55 113.70 115.86 2aw0 s SER 53 Ca 0.14 -1.29 0.06 0.00 0.48 0.00 0.00 55.95 55.33 2aw0 s SER 53 Cb 0.00 0.29 0.71 0.00 0.10 0.00 0.00 66.02 67.12 2aw0 s SER 53 CO 0.00 -0.75 1.86 -0.65 0.98 0.00 0.00 173.24 174.68 2aw0 h PRO 54 N 2.70 0.80 -0.50 4.02 0.11 -1.99 -1.75 132.00 135.38 2aw0 h PRO 54 Ca -0.36 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.59 2aw0 h PRO 54 Cb 1.22 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 2aw0 h PRO 54 CO 0.57 0.53 -0.12 0.93 -0.21 0.00 0.00 178.00 179.70 2aw0 h GLU 55 N 0.82 0.93 -0.11 1.05 4.39 -1.98 -0.14 114.58 119.55 2aw0 h GLU 55 Ca 0.47 -0.34 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 2aw0 h GLU 55 Cb 0.61 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2aw0 h GLU 55 CO -0.23 1.00 0.05 1.15 -1.16 0.00 0.00 179.01 179.82 2aw0 h THR 56 N 0.83 1.12 0.26 1.13 2.02 -1.76 0.17 112.91 116.68 2aw0 h THR 56 Ca 0.13 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 2aw0 h THR 56 Cb 0.66 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 2aw0 h THR 56 CO 0.05 0.11 -0.17 -0.07 0.37 0.00 0.00 175.52 175.81 2aw0 h LEU 57 N 0.04 -0.42 -0.61 2.58 3.38 -1.26 -1.58 115.31 117.44 2aw0 h LEU 57 Ca 0.04 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.13 2aw0 h LEU 57 Cb 0.13 0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.93 2aw0 h LEU 57 CO -0.00 -0.27 0.20 -0.09 0.09 0.00 0.00 178.44 178.36 2aw0 h ARG 58 N -0.42 0.35 -0.19 1.13 2.43 -0.99 -1.51 114.38 115.18 2aw0 h ARG 58 Ca -0.02 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.15 2aw0 h ARG 58 Cb 0.35 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 2aw0 h ARG 58 CO 0.02 0.23 0.03 0.78 -1.51 0.00 0.00 179.97 179.53 2aw0 h GLY 59 N 0.36 0.21 0.97 2.80 0.00 -0.70 -0.40 103.07 106.32 2aw0 h GLY 59 Ca 0.31 -0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.63 2aw0 h GLY 59 CO -0.34 -0.00 0.18 0.00 0.00 0.00 0.00 176.54 176.38 2aw0 h ALA 60 N 1.14 0.39 -0.64 3.60 0.00 -0.83 -0.28 119.26 122.63 2aw0 h ALA 60 Ca 0.09 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2aw0 h ALA 60 Cb 0.08 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 2aw0 h ALA 60 CO -0.12 -0.10 0.37 0.82 0.00 0.00 0.00 179.25 180.21 2aw0 h ILE 61 N 0.38 1.00 -0.66 0.00 2.04 -1.11 -0.93 117.51 118.24 2aw0 h ILE 61 Ca 0.11 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 2aw0 h ILE 61 Cb 0.02 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.32 2aw0 h ILE 61 CO -0.02 0.13 0.37 -0.08 0.00 0.00 0.00 178.15 178.55 2aw0 h GLU 62 N 0.69 0.92 -0.81 2.37 4.57 -0.71 -2.79 114.58 118.82 2aw0 h GLU 62 Ca 0.28 -0.10 -0.03 0.00 -1.18 0.00 0.00 59.36 58.33 2aw0 h GLU 62 Cb 0.13 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 28.50 2aw0 h GLU 62 CO -0.16 0.68 0.40 0.22 -1.18 0.00 0.00 179.01 178.98 2aw0 h ASP 63 N 0.90 1.05 -0.36 1.04 3.58 -0.34 -2.38 116.42 119.91 2aw0 h ASP 63 Ca 0.23 -0.12 0.05 0.00 0.42 0.00 0.00 57.03 57.62 2aw0 h ASP 63 Cb 0.03 -0.27 -0.05 0.00 1.72 0.00 0.00 39.33 40.76 2aw0 h ASP 63 CO -0.04 0.88 0.08 0.24 -2.88 0.00 0.00 179.24 177.51 2aw0 h MET 64 N 1.15 0.20 0.00 0.28 2.86 -0.97 -3.47 114.93 114.98 2aw0 h MET 64 Ca 0.28 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 2aw0 h MET 64 Cb 0.10 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.71 2aw0 h MET 64 CO -0.04 0.13 0.00 0.41 1.06 0.00 0.00 176.91 178.47 2aw0 n GLY 65 N -1.23 0.16 3.01 8.32 0.00 -0.90 -5.12 105.19 109.43 2aw0 n GLY 65 Ca 0.02 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 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 0.32 -0.65 1.61 0.08 -1.18 -4.97 117.98 113.19 2aw0 s PHE 66 Ca 0.00 -0.66 -0.27 0.00 0.12 0.00 0.00 56.93 56.13 2aw0 s PHE 66 Cb 0.00 -0.24 -0.01 0.00 -0.57 0.00 0.00 43.02 42.21 2aw0 s PHE 66 CO 0.00 -0.24 1.69 0.34 -0.10 0.00 0.00 175.22 176.91 2aw0 s ASP 67 N -1.82 5.53 -0.26 1.36 2.15 -0.25 -4.13 116.67 119.25 2aw0 s ASP 67 Ca -0.10 0.11 -0.11 0.00 0.43 0.00 0.00 52.55 52.87 2aw0 s ASP 67 Cb -0.05 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 39.98 2aw0 s ASP 67 CO -0.03 -2.22 0.18 0.00 -0.17 0.00 0.00 175.17 172.93 2aw0 s ALA 68 N 8.11 3.57 -0.09 3.66 0.00 -1.26 -1.61 121.76 134.15 2aw0 s ALA 68 Ca 0.58 -0.99 -0.14 0.00 0.00 0.00 0.00 51.96 51.41 2aw0 s ALA 68 Cb -0.11 -2.42 0.03 0.00 0.00 0.00 0.00 23.12 20.62 2aw0 s ALA 68 CO 0.19 -0.39 0.35 -0.08 0.00 0.00 0.00 175.76 175.83 2aw0 s THR 69 N 1.45 0.02 0.23 0.00 -1.32 -0.94 -4.95 115.64 110.13 2aw0 s THR 69 Ca 0.08 -0.19 -0.30 0.00 -1.21 0.00 0.00 61.69 60.07 2aw0 s THR 69 Cb -0.15 -0.56 -0.10 0.00 -1.51 0.00 0.00 72.50 70.18 2aw0 s THR 69 CO 0.08 -0.10 1.40 -0.76 -2.21 0.00 0.00 174.62 173.03 2aw0 s LEU 70 N -0.44 4.39 -0.40 9.08 1.43 -1.26 -0.51 118.68 130.97 2aw0 s LEU 70 Ca -0.06 2.57 -0.03 0.00 -1.03 0.00 0.00 54.13 55.59 2aw0 s LEU 70 Cb -0.04 -3.62 0.13 0.00 0.03 0.00 0.00 46.19 42.70 2aw0 s LEU 70 CO 0.02 -0.65 2.47 -0.24 0.23 0.00 0.00 176.35 178.18 2aw0 n SER 71 N 2.51 6.49 0.00 2.29 2.88 0.00 -4.75 113.62 123.04 2aw0 n SER 71 Ca 0.07 -3.16 0.00 0.00 -1.33 0.00 0.00 58.87 54.45 2aw0 n SER 71 Cb 0.41 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 2aw0 n SER 71 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91