#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 5.28 0.12 -5.08 -4.23 -1.26 -4.47 115.64 106.00 2aw0 s THR 2 Ca 0.00 -0.71 0.03 0.00 -1.18 0.00 0.00 61.69 59.83 2aw0 s THR 2 Cb 0.00 -3.78 -0.04 0.00 1.34 0.00 0.00 72.50 70.02 2aw0 s THR 2 CO 0.00 -0.18 -0.09 -1.10 -0.54 0.00 0.00 174.62 172.71 2aw0 s GLN 3 N -3.49 0.94 0.04 3.99 -1.52 -0.31 -5.00 119.66 114.31 2aw0 s GLN 3 Ca 0.35 -1.37 0.06 0.00 -1.95 0.00 0.00 55.36 52.45 2aw0 s GLN 3 Cb -0.10 -0.44 -0.03 0.00 -0.22 0.00 0.00 33.01 32.22 2aw0 s GLN 3 CO 0.29 0.04 -0.13 -2.00 -0.25 0.00 0.00 175.29 173.24 2aw0 s GLU 4 N -3.69 2.24 0.04 2.91 2.12 -1.26 -1.06 118.70 120.00 2aw0 s GLU 4 Ca 0.13 -0.90 -0.00 0.00 0.36 0.00 0.00 54.97 54.56 2aw0 s GLU 4 Cb 0.03 -2.31 -0.03 0.00 0.26 0.00 0.00 34.13 32.08 2aw0 s GLU 4 CO -0.02 0.56 -0.04 -0.08 -0.54 0.00 0.00 175.26 175.14 2aw0 s THR 5 N -0.99 0.24 -0.09 -1.70 -1.32 -0.45 -5.01 115.64 106.32 2aw0 s THR 5 Ca 0.16 -1.42 0.04 0.00 -1.21 0.00 0.00 61.69 59.27 2aw0 s THR 5 Cb -0.11 -0.98 -0.00 0.00 -1.51 0.00 0.00 72.50 69.90 2aw0 s THR 5 CO 0.07 -0.75 -0.24 -0.69 -2.21 0.00 0.00 174.62 170.81 2aw0 s VAL 6 N -2.74 2.03 -0.12 5.08 1.01 -1.26 -1.08 120.40 123.32 2aw0 s VAL 6 Ca -0.03 -1.02 -0.00 0.00 0.00 0.00 0.00 61.98 60.93 2aw0 s VAL 6 Cb -0.01 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.65 2aw0 s VAL 6 CO -0.05 0.56 -0.09 -0.63 0.00 0.00 0.00 175.10 174.88 2aw0 s ILE 7 N 0.22 1.13 0.15 2.22 1.01 -0.43 -0.80 121.20 124.71 2aw0 s ILE 7 Ca -0.15 -0.36 -0.30 0.00 0.00 0.00 0.00 60.65 59.84 2aw0 s ILE 7 Cb -0.17 -1.13 -0.07 0.00 0.01 0.00 0.00 42.46 41.10 2aw0 s ILE 7 CO 0.08 0.39 1.14 0.20 0.00 0.00 0.00 174.94 176.74 2aw0 s ASN 8 N 1.64 7.19 -0.23 3.58 0.01 0.45 -0.65 114.94 126.94 2aw0 s ASN 8 Ca 0.05 2.09 0.01 0.00 -0.71 0.00 0.00 52.86 54.30 2aw0 s ASN 8 Cb -0.13 -2.60 0.06 0.00 0.41 0.00 0.00 41.25 38.99 2aw0 s ASN 8 CO -0.08 -0.30 -0.06 -0.63 -1.51 0.00 0.00 177.10 174.51 2aw0 s ILE 9 N 0.09 1.52 0.12 0.60 1.01 -0.35 -1.22 121.20 122.97 2aw0 s ILE 9 Ca 0.52 -1.17 0.01 0.00 0.00 0.00 0.00 60.65 60.01 2aw0 s ILE 9 Cb -0.30 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 2aw0 s ILE 9 CO 0.34 -0.06 0.27 -0.62 0.00 0.00 0.00 174.94 174.88 2aw0 s ASP 10 N 1.41 6.36 0.00 3.58 2.15 -0.37 -4.26 116.67 125.53 2aw0 s ASP 10 Ca -0.05 0.25 0.00 0.00 0.43 0.00 0.00 52.55 53.18 2aw0 s ASP 10 Cb -0.18 -1.95 0.00 0.00 -0.30 0.00 0.00 42.92 40.49 2aw0 s ASP 10 CO -0.06 0.08 0.00 0.61 -0.17 0.00 0.00 175.17 175.63 2aw0 n GLY 11 N -0.23 0.66 3.57 2.66 0.00 -1.26 -1.05 105.19 109.53 2aw0 n GLY 11 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.82 3.33 0.06 1.61 -1.94 -1.26 -4.87 119.30 115.41 2aw0 s MET 12 Ca 0.00 0.08 0.10 0.00 -1.71 0.00 0.00 55.69 54.16 2aw0 s MET 12 Cb 0.00 -4.11 -0.21 0.00 2.01 0.00 0.00 34.83 32.53 2aw0 s MET 12 CO 0.00 -1.93 1.02 0.00 -0.01 0.00 0.00 175.02 174.10 2aw0 h THR 13 N 6.15 1.30 -3.08 2.05 1.03 -1.98 -3.49 112.91 114.89 2aw0 h THR 13 Ca -0.26 -3.05 -0.04 0.00 -0.01 0.00 0.00 66.41 63.04 2aw0 h THR 13 Cb 1.06 2.64 -0.00 0.00 -1.07 0.00 0.00 68.15 70.78 2aw0 h THR 13 CO 1.23 0.74 0.24 0.00 -0.01 0.00 0.00 175.52 177.72 2aw0 h ASN 15 N 2.01 0.00 -0.94 0.00 2.35 -2.00 -1.70 115.58 115.29 2aw0 h ASN 15 Ca -0.32 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.51 2aw0 h ASN 15 Cb 1.25 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.55 2aw0 h ASN 15 CO 0.41 0.00 0.59 0.28 -1.65 0.00 0.00 177.43 177.05 2aw0 h SER 16 N 0.00 0.90 0.16 5.81 0.02 -1.99 -0.56 113.55 117.89 2aw0 h SER 16 Ca 0.02 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 2aw0 h SER 16 Cb 0.11 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.49 2aw0 h SER 16 CO -0.00 0.53 -0.08 0.00 -1.14 0.00 0.00 176.83 176.15 2aw0 h VAL 18 N -0.37 0.26 0.22 0.00 2.07 -1.50 -0.62 116.25 116.32 2aw0 h VAL 18 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2aw0 h VAL 18 Cb 0.29 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 2aw0 h VAL 18 CO 0.04 0.00 -0.22 -0.61 0.02 0.00 0.00 177.57 176.80 2aw0 h GLN 19 N -0.35 -0.45 0.13 1.57 4.15 -1.08 -1.23 115.11 117.85 2aw0 h GLN 19 Ca 0.12 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.57 2aw0 h GLN 19 Cb 0.54 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.34 2aw0 h GLN 19 CO -0.42 -0.30 -0.06 0.66 -1.93 0.00 0.00 178.83 176.78 2aw0 h SER 20 N -0.47 -0.14 0.22 -0.69 4.64 -0.96 -1.00 113.55 115.16 2aw0 h SER 20 Ca -0.00 -0.02 0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2aw0 h SER 20 Cb 0.43 0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.54 2aw0 h SER 20 CO -0.05 -0.08 -0.28 0.40 -0.87 0.00 0.00 176.83 175.95 2aw0 h ILE 21 N -0.19 0.39 -0.15 0.95 2.04 -1.10 -0.79 117.51 118.66 2aw0 h ILE 21 Ca -0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.89 2aw0 h ILE 21 Cb 0.15 0.39 -0.06 0.00 -0.74 0.00 0.00 36.82 36.57 2aw0 h ILE 21 CO 0.03 0.00 -0.22 -0.08 0.00 0.00 0.00 178.15 177.87 2aw0 h GLU 22 N -0.56 -0.27 0.41 2.37 4.81 -1.11 -0.64 114.58 119.60 2aw0 h GLU 22 Ca 0.00 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 2aw0 h GLU 22 Cb 0.54 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 2aw0 h GLU 22 CO -0.10 -0.18 -0.29 0.78 -0.73 0.00 0.00 179.01 178.50 2aw0 h GLY 23 N -0.28 -0.73 0.93 1.92 0.00 -1.06 -2.16 103.07 101.69 2aw0 h GLY 23 Ca 0.11 0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.74 2aw0 h GLY 23 CO -0.31 -0.27 -0.15 -2.08 0.00 0.00 0.00 176.54 173.73 2aw0 h VAL 24 N -0.69 0.72 -0.11 4.60 2.07 -0.97 -3.02 116.25 118.85 2aw0 h VAL 24 Ca -0.04 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 2aw0 h VAL 24 Cb 0.58 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 2aw0 h VAL 24 CO 0.02 0.03 -0.11 0.40 0.02 0.00 0.00 177.57 177.93 2aw0 h ILE 25 N -0.48 1.14 -0.33 4.57 1.08 -1.17 -1.99 117.51 120.33 2aw0 h ILE 25 Ca -0.04 -0.63 0.10 0.00 -0.39 0.00 0.00 64.86 63.90 2aw0 h ILE 25 Cb 0.36 1.18 -0.01 0.00 -3.07 0.00 0.00 36.82 35.28 2aw0 h ILE 25 CO 0.07 0.19 0.35 -1.28 -0.69 0.00 0.00 178.15 176.79 2aw0 h SER 26 N 0.16 0.00 0.27 1.72 0.87 -1.25 -1.75 113.55 113.58 2aw0 h SER 26 Ca 0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2aw0 h SER 26 Cb 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2aw0 h SER 26 CO 0.02 0.00 -0.25 0.29 -0.53 0.00 0.00 176.83 176.36 2aw0 n LYS 27 N -3.81 0.77 -2.36 2.24 4.76 -0.75 -4.67 118.16 114.35 2aw0 n LYS 27 Ca 0.05 -0.43 -0.38 0.00 -2.87 0.00 0.00 58.31 54.68 2aw0 n LYS 27 Cb 0.51 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 32.18 2aw0 n LYS 27 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2aw0 s LYS 28 N -2.53 4.10 0.13 1.97 -0.14 -0.66 -4.95 119.74 117.67 2aw0 s LYS 28 Ca 0.24 1.76 -0.31 0.00 -1.36 0.00 0.00 55.97 56.30 2aw0 s LYS 28 Cb 0.19 -2.67 -0.09 0.00 -1.68 0.00 0.00 37.83 33.58 2aw0 s LYS 28 CO 0.52 -0.25 1.61 -1.25 -0.76 0.00 0.00 175.35 175.22 2aw0 s PRO 29 N -2.30 4.21 0.00 -1.68 0.04 -1.26 -2.03 135.00 131.97 2aw0 s PRO 29 Ca 0.57 2.36 0.00 0.00 0.04 0.00 0.00 61.00 63.97 2aw0 s PRO 29 Cb -0.29 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 30.93 2aw0 s PRO 29 CO 0.36 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 177.15 2aw0 n GLY 30 N 3.86 2.81 3.76 0.56 0.00 -1.26 -3.93 105.19 111.00 2aw0 n GLY 30 Ca 0.15 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.12 2.97 0.00 1.61 1.01 -0.86 -1.44 120.40 121.57 2aw0 s VAL 31 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 61.98 62.94 2aw0 s VAL 31 Cb 0.00 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.77 2aw0 s VAL 31 CO 0.00 0.22 0.00 0.29 0.00 0.00 0.00 175.10 175.61 2aw0 n LYS 32 N 1.10 0.00 -3.09 2.72 5.02 -0.35 -4.85 118.16 118.71 2aw0 n LYS 32 Ca 0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.95 2aw0 n LYS 32 Cb 0.43 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.37 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 0.94 6.93 -0.15 4.39 1.04 -1.26 -4.91 113.70 120.68 2aw0 s SER 33 Ca 0.00 1.39 -0.10 0.00 0.48 0.00 0.00 55.95 57.71 2aw0 s SER 33 Cb 0.00 -2.41 0.05 0.00 0.10 0.00 0.00 66.02 63.76 2aw0 s SER 33 CO 0.00 -0.11 0.37 -0.51 0.98 0.00 0.00 173.24 173.97 2aw0 s ILE 34 N -1.78 -0.02 -0.21 -1.02 2.07 -1.26 -1.17 121.20 117.80 2aw0 s ILE 34 Ca 0.50 0.06 -0.02 0.00 -1.41 0.00 0.00 60.65 59.78 2aw0 s ILE 34 Cb -0.13 -0.54 0.06 0.00 0.13 0.00 0.00 42.46 41.98 2aw0 s ILE 34 CO 0.19 0.02 0.02 -0.13 -1.91 0.00 0.00 174.94 173.13 2aw0 s ARG 35 N 0.83 0.86 0.02 3.50 1.81 -0.36 -5.02 118.95 120.59 2aw0 s ARG 35 Ca -0.05 -0.59 0.00 0.00 -1.72 0.00 0.00 55.73 53.37 2aw0 s ARG 35 Cb -0.06 -2.20 -0.04 0.00 -0.45 0.00 0.00 34.95 32.20 2aw0 s ARG 35 CO -0.06 -0.66 0.11 0.08 -0.68 0.00 0.00 175.30 174.08 2aw0 s VAL 36 N 1.74 4.83 -0.03 3.52 1.01 -1.26 -1.29 120.40 128.92 2aw0 s VAL 36 Ca -0.01 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 2aw0 s VAL 36 Cb -0.17 -3.26 0.03 0.00 0.00 0.00 0.00 36.38 32.98 2aw0 s VAL 36 CO -0.09 0.27 0.06 -0.55 0.00 0.00 0.00 175.10 174.79 2aw0 s SER 37 N -2.00 0.26 -0.01 3.32 0.15 -0.44 -4.99 113.70 109.99 2aw0 s SER 37 Ca 0.26 0.10 -0.25 0.00 0.70 0.00 0.00 55.95 56.76 2aw0 s SER 37 Cb -0.12 -0.03 -0.19 0.00 -1.71 0.00 0.00 66.02 63.96 2aw0 s SER 37 CO 0.18 -0.16 1.30 0.25 1.20 0.00 0.00 173.24 176.01 2aw0 h LEU 38 N 7.53 0.05 -0.58 3.45 5.85 -1.94 -0.44 115.31 129.23 2aw0 h LEU 38 Ca -0.38 -0.47 0.10 0.00 0.84 0.00 0.00 57.88 57.97 2aw0 h LEU 38 Cb 1.12 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.06 2aw0 h LEU 38 CO 0.40 0.51 0.18 0.00 -0.34 0.00 0.00 178.44 179.19 2aw0 h ALA 39 N 0.55 0.73 0.00 1.25 0.00 -1.97 -1.16 119.26 118.66 2aw0 h ALA 39 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2aw0 h ALA 39 Cb 0.49 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2aw0 h ALA 39 CO 0.00 -0.24 -0.55 0.09 0.00 0.00 0.00 179.25 178.56 2aw0 n ASN 40 N -5.04 0.54 -3.64 0.00 4.13 -1.25 -4.99 115.26 105.01 2aw0 n ASN 40 Ca 0.08 -0.12 -0.23 0.00 1.68 0.00 0.00 54.58 55.99 2aw0 n ASN 40 Cb 0.28 0.23 0.04 0.00 -1.54 0.00 0.00 39.78 38.79 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 -1.70 -3.08 -3.55 6.41 7.64 -0.23 -4.92 113.62 114.19 2aw0 n SER 41 Ca 0.05 -0.87 -0.08 0.00 1.01 0.00 0.00 58.87 58.98 2aw0 n SER 41 Cb 0.37 -4.00 -0.01 0.00 -1.01 0.00 0.00 64.21 59.56 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 -3.97 -0.12 -0.08 6.43 2.20 -0.85 -1.22 114.94 117.33 2aw0 s ASN 42 Ca 0.20 -0.84 -0.01 0.00 -0.94 0.00 0.00 52.86 51.27 2aw0 s ASN 42 Cb -0.06 0.75 0.03 0.00 -2.00 0.00 0.00 41.25 39.98 2aw0 s ASN 42 CO 0.82 -1.44 0.01 -0.83 -2.94 0.00 0.00 177.10 172.72 2aw0 s GLY 43 N -2.99 0.48 -0.31 0.45 0.00 0.18 -1.33 107.32 103.80 2aw0 s GLY 43 Ca 0.14 -0.16 -0.12 0.00 0.00 0.00 0.00 44.72 44.58 2aw0 s GLY 43 CO 0.09 1.17 0.23 -1.59 0.00 0.00 0.00 173.10 173.00 2aw0 s THR 44 N 1.97 5.28 -0.10 0.90 2.01 -0.42 -1.31 115.64 123.98 2aw0 s THR 44 Ca 0.05 0.02 0.03 0.00 0.31 0.00 0.00 61.69 62.10 2aw0 s THR 44 Cb -0.13 -3.63 0.01 0.00 0.01 0.00 0.00 72.50 68.76 2aw0 s THR 44 CO -0.05 0.12 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.10 2aw0 s VAL 45 N 1.78 1.80 -0.19 3.82 1.01 -0.24 -1.22 120.40 127.16 2aw0 s VAL 45 Ca 0.07 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 61.05 2aw0 s VAL 45 Cb -0.17 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 2aw0 s VAL 45 CO 0.11 0.50 0.34 -0.70 0.00 0.00 0.00 175.10 175.35 2aw0 s GLU 46 N 0.56 4.20 0.17 2.72 2.56 -0.32 -1.35 118.70 127.24 2aw0 s GLU 46 Ca -0.15 0.13 -0.12 0.00 0.00 0.00 0.00 54.97 54.83 2aw0 s GLU 46 Cb -0.17 -3.49 0.00 0.00 2.00 0.00 0.00 34.13 32.47 2aw0 s GLU 46 CO 0.05 0.08 0.36 1.52 -0.56 0.00 0.00 175.26 176.70 2aw0 s TYR 47 N 0.96 0.21 -0.34 5.30 1.13 -0.22 -1.21 117.35 123.17 2aw0 s TYR 47 Ca 0.17 -0.57 -0.14 0.00 -1.41 0.00 0.00 57.07 55.12 2aw0 s TYR 47 Cb -0.14 0.09 -0.01 0.00 -1.10 0.00 0.00 41.96 40.80 2aw0 s TYR 47 CO 0.06 -0.77 0.29 0.34 -2.51 0.00 0.00 175.55 172.96 2aw0 s ASP 48 N -2.93 6.11 0.31 -0.18 2.15 -0.52 -1.16 116.67 120.45 2aw0 s ASP 48 Ca 0.14 -0.36 0.07 0.00 0.43 0.00 0.00 52.55 52.83 2aw0 s ASP 48 Cb 0.02 -2.16 0.86 0.00 -0.30 0.00 0.00 42.92 41.34 2aw0 s ASP 48 CO -0.02 -0.29 1.65 -0.65 -0.17 0.00 0.00 175.17 175.70 2aw0 h PRO 49 N 8.48 0.24 0.00 4.34 0.11 -1.78 -1.27 132.00 142.12 2aw0 h PRO 49 Ca -0.31 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.72 2aw0 h PRO 49 Cb 1.15 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2aw0 h PRO 49 CO 0.66 0.16 -0.33 -0.07 -0.21 0.00 0.00 178.00 178.21 2aw0 h LEU 50 N 0.24 0.00 0.00 2.35 3.38 -1.95 -3.25 115.31 116.09 2aw0 h LEU 50 Ca 0.63 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 58.23 2aw0 h LEU 50 Cb 1.34 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.02 2aw0 h LEU 50 CO -0.65 0.33 -2.38 0.18 0.09 0.00 0.00 178.44 176.02 2aw0 n LEU 51 N -3.85 0.38 -3.77 1.67 4.77 -0.79 -5.03 117.00 110.38 2aw0 n LEU 51 Ca -0.01 -0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.87 2aw0 n LEU 51 Cb 0.41 0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 41.77 2aw0 n LEU 51 CO 0.37 0.55 0.18 0.28 -1.33 0.00 0.00 177.39 177.44 2aw0 s THR 52 N -2.50 0.04 0.20 -5.08 -1.32 -0.55 -4.77 115.64 101.67 2aw0 s THR 52 Ca -0.13 -0.88 0.04 0.00 -1.21 0.00 0.00 61.69 59.51 2aw0 s THR 52 Cb 0.06 -1.56 -0.05 0.00 -1.51 0.00 0.00 72.50 69.45 2aw0 s THR 52 CO 0.80 -0.20 -0.04 -0.94 -2.21 0.00 0.00 174.62 172.02 2aw0 s SER 53 N -2.88 1.83 0.30 8.08 1.04 -1.26 -3.65 113.70 117.15 2aw0 s SER 53 Ca 0.10 -1.13 0.05 0.00 0.48 0.00 0.00 55.95 55.44 2aw0 s SER 53 Cb 0.01 -0.00 0.69 0.00 0.10 0.00 0.00 66.02 66.82 2aw0 s SER 53 CO -0.04 -0.43 1.79 -0.65 0.98 0.00 0.00 173.24 174.88 2aw0 h PRO 54 N 2.59 0.78 -0.56 4.02 0.11 -1.99 -1.21 132.00 135.74 2aw0 h PRO 54 Ca -0.38 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.58 2aw0 h PRO 54 Cb 1.21 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 2aw0 h PRO 54 CO 0.64 0.52 -0.06 0.93 -0.21 0.00 0.00 178.00 179.82 2aw0 h GLU 55 N 0.80 1.03 -0.16 1.05 5.08 -1.98 -0.16 114.58 120.24 2aw0 h GLU 55 Ca 0.56 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 2aw0 h GLU 55 Cb 0.81 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2aw0 h GLU 55 CO -0.36 1.05 0.08 1.15 -1.00 0.00 0.00 179.01 179.93 2aw0 h THR 56 N 0.92 1.13 -0.21 1.13 2.02 -1.75 -0.74 112.91 115.40 2aw0 h THR 56 Ca 0.15 -0.36 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 2aw0 h THR 56 Cb 0.62 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 2aw0 h THR 56 CO 0.04 0.12 0.12 -0.07 0.37 0.00 0.00 175.52 176.10 2aw0 h LEU 57 N 0.14 0.26 -0.36 2.58 3.38 -1.14 -0.25 115.31 119.91 2aw0 h LEU 57 Ca 0.06 -0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.03 2aw0 h LEU 57 Cb 0.12 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.73 2aw0 h LEU 57 CO -0.01 0.25 -0.15 -0.09 0.09 0.00 0.00 178.44 178.54 2aw0 h ARG 58 N 0.25 -0.08 -0.50 1.13 2.43 -0.99 -1.06 114.38 115.57 2aw0 h ARG 58 Ca 0.08 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.31 2aw0 h ARG 58 Cb 0.05 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.56 2aw0 h ARG 58 CO -0.01 -0.05 0.20 0.78 -1.51 0.00 0.00 179.97 179.38 2aw0 h GLY 59 N -0.08 0.68 0.89 2.80 0.00 -0.63 -0.16 103.07 106.57 2aw0 h GLY 59 Ca 0.18 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 2aw0 h GLY 59 CO -0.42 0.04 -0.03 0.00 0.00 0.00 0.00 176.54 176.14 2aw0 h ALA 60 N 1.31 -0.07 -0.31 3.60 0.00 -0.58 -0.43 119.26 122.78 2aw0 h ALA 60 Ca 0.23 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.10 2aw0 h ALA 60 Cb 0.22 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2aw0 h ALA 60 CO -0.21 -0.49 0.16 0.82 0.00 0.00 0.00 179.25 179.53 2aw0 h ILE 61 N -0.18 0.99 -0.32 0.00 2.04 -1.03 -2.01 117.51 116.99 2aw0 h ILE 61 Ca -0.01 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 65.79 2aw0 h ILE 61 Cb 0.16 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 2aw0 h ILE 61 CO 0.01 0.06 0.02 -0.08 0.00 0.00 0.00 178.15 178.16 2aw0 h GLU 62 N 0.33 0.11 -0.87 2.37 4.81 -0.91 -2.65 114.58 117.77 2aw0 h GLU 62 Ca 0.13 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.39 2aw0 h GLU 62 Cb 0.04 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 2aw0 h GLU 62 CO -0.09 0.07 0.57 0.22 -0.73 0.00 0.00 179.01 179.06 2aw0 h ASP 63 N 0.11 0.92 -0.85 1.04 3.58 -0.67 -1.26 116.42 119.29 2aw0 h ASP 63 Ca 0.15 -0.01 0.10 0.00 0.42 0.00 0.00 57.03 57.69 2aw0 h ASP 63 Cb 0.20 -0.21 -0.06 0.00 1.72 0.00 0.00 39.33 40.98 2aw0 h ASP 63 CO -0.24 0.62 0.55 0.24 -2.88 0.00 0.00 179.24 177.53 2aw0 h MET 64 N 1.06 0.79 0.00 0.28 2.86 -1.00 -3.45 114.93 115.47 2aw0 h MET 64 Ca 0.35 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 2aw0 h MET 64 Cb 0.06 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.54 2aw0 h MET 64 CO -0.11 0.53 0.00 0.41 1.06 0.00 0.00 176.91 178.80 2aw0 n GLY 65 N -1.42 0.04 3.25 8.32 0.00 -0.52 -5.14 105.19 109.72 2aw0 n GLY 65 Ca 0.14 -0.23 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 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 1.38 -0.74 1.61 0.08 -0.96 -4.99 117.98 114.36 2aw0 s PHE 66 Ca 0.00 -1.48 -0.06 0.00 0.12 0.00 0.00 56.93 55.52 2aw0 s PHE 66 Cb 0.00 -0.60 0.19 0.00 -0.57 0.00 0.00 43.02 42.04 2aw0 s PHE 66 CO 0.00 -0.75 0.61 -0.51 -0.10 0.00 0.00 175.22 174.47 2aw0 s ASP 67 N -3.24 5.82 -0.12 1.36 1.01 -0.22 -4.41 116.67 116.86 2aw0 s ASP 67 Ca 0.39 -2.99 -0.08 0.00 0.71 0.00 0.00 52.55 50.58 2aw0 s ASP 67 Cb 0.05 -1.97 -0.04 0.00 1.01 0.00 0.00 42.92 41.97 2aw0 s ASP 67 CO 0.18 -0.39 0.16 0.00 0.21 0.00 0.00 175.17 175.34 2aw0 s ALA 68 N -0.27 3.84 -0.03 5.23 0.00 -1.26 -1.24 121.76 128.02 2aw0 s ALA 68 Ca 0.19 -0.61 -0.14 0.00 0.00 0.00 0.00 51.96 51.40 2aw0 s ALA 68 Cb -0.15 -2.03 0.02 0.00 0.00 0.00 0.00 23.12 20.96 2aw0 s ALA 68 CO -0.06 0.54 0.31 -0.08 0.00 0.00 0.00 175.76 176.47 2aw0 s THR 69 N -0.83 0.05 0.65 0.00 -1.32 -0.36 -4.94 115.64 108.89 2aw0 s THR 69 Ca 0.15 -0.39 -0.17 0.00 -1.21 0.00 0.00 61.69 60.07 2aw0 s THR 69 Cb -0.12 -0.59 -0.01 0.00 -1.51 0.00 0.00 72.50 70.28 2aw0 s THR 69 CO 0.04 -0.21 1.19 -0.76 -2.21 0.00 0.00 174.62 172.66 2aw0 s LEU 70 N -1.05 3.51 -0.22 9.08 1.43 -1.26 -0.41 118.68 129.76 2aw0 s LEU 70 Ca -0.11 2.30 0.23 0.00 -1.03 0.00 0.00 54.13 55.51 2aw0 s LEU 70 Cb -0.05 -4.59 0.50 0.00 0.03 0.00 0.00 46.19 42.08 2aw0 s LEU 70 CO 0.04 -1.80 1.12 -0.24 0.23 0.00 0.00 176.35 175.70 2aw0 n SER 71 N -2.09 1.61 0.00 2.29 2.88 0.02 -4.57 113.62 113.76 2aw0 n SER 71 Ca 0.13 -2.09 0.00 0.00 -1.33 0.00 0.00 58.87 55.58 2aw0 n SER 71 Cb 0.50 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 2aw0 n SER 71 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14