#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 4.32 0.24 -5.08 -4.23 -1.26 -4.46 115.64 105.16 2aw0 s THR 2 Ca 0.00 -0.95 0.01 0.00 -1.18 0.00 0.00 61.69 59.56 2aw0 s THR 2 Cb 0.00 -3.51 -0.04 0.00 1.34 0.00 0.00 72.50 70.29 2aw0 s THR 2 CO 0.00 -0.21 0.13 -1.10 -0.54 0.00 0.00 174.62 172.90 2aw0 s GLN 3 N -4.16 1.34 0.15 3.99 -0.21 -0.32 -5.00 119.66 115.45 2aw0 s GLN 3 Ca 0.43 -1.72 0.09 0.00 0.02 0.00 0.00 55.36 54.18 2aw0 s GLN 3 Cb -0.09 0.06 -0.04 0.00 1.00 0.00 0.00 33.01 33.93 2aw0 s GLN 3 CO 0.31 -0.38 -0.20 -1.21 -2.12 0.00 0.00 175.29 171.69 2aw0 s GLU 4 N -4.05 1.27 -0.10 2.91 2.02 -1.26 -1.11 118.70 118.38 2aw0 s GLU 4 Ca 0.38 -1.35 -0.08 0.00 0.02 0.00 0.00 54.97 53.94 2aw0 s GLU 4 Cb 0.07 -1.44 0.03 0.00 0.10 0.00 0.00 34.13 32.89 2aw0 s GLU 4 CO 0.14 0.31 0.26 -0.08 0.02 0.00 0.00 175.26 175.90 2aw0 s THR 5 N -1.71 -0.01 -0.33 3.63 -1.32 -0.27 -5.01 115.64 110.62 2aw0 s THR 5 Ca 0.14 0.02 -0.09 0.00 -1.21 0.00 0.00 61.69 60.55 2aw0 s THR 5 Cb -0.07 -0.37 0.01 0.00 -1.51 0.00 0.00 72.50 70.56 2aw0 s THR 5 CO 0.06 0.01 0.15 -0.69 -2.21 0.00 0.00 174.62 171.94 2aw0 s VAL 6 N 0.31 4.35 -0.16 5.08 1.01 -1.26 -1.18 120.40 128.54 2aw0 s VAL 6 Ca -0.01 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 2aw0 s VAL 6 Cb -0.03 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 2aw0 s VAL 6 CO -0.01 -0.06 -0.10 -0.63 0.00 0.00 0.00 175.10 174.31 2aw0 s ILE 7 N 1.54 3.17 0.23 2.22 1.01 -0.44 -1.48 121.20 127.44 2aw0 s ILE 7 Ca 0.03 -0.60 -0.30 0.00 0.00 0.00 0.00 60.65 59.78 2aw0 s ILE 7 Cb -0.18 -2.38 -0.09 0.00 0.01 0.00 0.00 42.46 39.83 2aw0 s ILE 7 CO 0.05 0.49 1.23 0.20 0.00 0.00 0.00 174.94 176.91 2aw0 s ASN 8 N 0.76 7.01 -0.42 3.58 0.01 0.66 -0.55 114.94 126.00 2aw0 s ASN 8 Ca -0.04 2.36 0.02 0.00 -0.71 0.00 0.00 52.86 54.49 2aw0 s ASN 8 Cb -0.15 -2.62 0.13 0.00 0.41 0.00 0.00 41.25 39.02 2aw0 s ASN 8 CO 0.01 -0.41 0.22 -0.63 -1.51 0.00 0.00 177.10 174.78 2aw0 s ILE 9 N -0.33 1.34 0.14 0.60 1.01 -0.31 -2.25 121.20 121.39 2aw0 s ILE 9 Ca 0.52 -2.41 0.01 0.00 0.00 0.00 0.00 60.65 58.78 2aw0 s ILE 9 Cb -0.35 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 2aw0 s ILE 9 CO 0.40 -0.87 0.29 -0.62 0.00 0.00 0.00 174.94 174.14 2aw0 s ASP 10 N 0.51 6.35 -0.19 3.58 2.15 -0.64 -3.93 116.67 124.51 2aw0 s ASP 10 Ca 0.17 0.23 -0.01 0.00 0.43 0.00 0.00 52.55 53.37 2aw0 s ASP 10 Cb -0.24 -1.94 0.00 0.00 -0.30 0.00 0.00 42.92 40.45 2aw0 s ASP 10 CO -0.02 0.06 0.16 0.61 -0.17 0.00 0.00 175.17 175.81 2aw0 n GLY 11 N -0.39 0.53 3.84 2.66 0.00 -1.26 -1.17 105.19 109.39 2aw0 n GLY 11 Ca -0.06 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 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 -4.69 3.99 -0.16 1.61 -1.94 -1.26 -4.75 119.30 112.09 2aw0 s MET 12 Ca 0.04 1.00 -0.20 0.00 -1.71 0.00 0.00 55.69 54.82 2aw0 s MET 12 Cb -0.02 -2.14 -0.18 0.00 2.01 0.00 0.00 34.83 34.50 2aw0 s MET 12 CO 0.11 -0.24 0.37 1.15 -0.01 0.00 0.00 175.02 176.40 2aw0 h THR 13 N 1.12 1.06 -2.64 2.05 2.02 -1.97 -3.50 112.91 111.05 2aw0 h THR 13 Ca -0.47 -1.97 0.05 0.00 0.77 0.00 0.00 66.41 64.78 2aw0 h THR 13 Cb 1.18 2.18 -0.01 0.00 -1.74 0.00 0.00 68.15 69.77 2aw0 h THR 13 CO 0.61 0.36 0.35 0.00 0.37 0.00 0.00 175.52 177.21 2aw0 h ASN 15 N 1.66 0.00 -0.84 0.00 -0.73 -2.02 -2.01 115.58 111.64 2aw0 h ASN 15 Ca -0.26 0.00 0.13 0.00 1.87 0.00 0.00 56.30 58.04 2aw0 h ASN 15 Cb 1.02 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 39.55 2aw0 h ASN 15 CO 0.33 0.02 0.55 0.28 -0.37 0.00 0.00 177.43 178.24 2aw0 h SER 16 N 0.00 0.61 -0.80 1.15 0.02 -2.00 -1.56 113.55 110.96 2aw0 h SER 16 Ca -0.00 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 2aw0 h SER 16 Cb 0.04 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 2aw0 h SER 16 CO 0.00 0.32 0.45 0.00 -1.14 0.00 0.00 176.83 176.46 2aw0 h VAL 18 N 1.10 0.38 -0.45 0.00 2.07 -1.43 -0.28 116.25 117.64 2aw0 h VAL 18 Ca 0.28 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.81 2aw0 h VAL 18 Cb 0.01 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 2aw0 h VAL 18 CO -0.05 0.00 0.29 -0.61 0.02 0.00 0.00 177.57 177.22 2aw0 h GLN 19 N -0.40 0.57 0.17 1.57 5.75 -1.40 -2.49 115.11 118.88 2aw0 h GLN 19 Ca 0.07 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2aw0 h GLN 19 Cb 0.50 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.92 2aw0 h GLN 19 CO -0.26 0.38 -0.12 0.77 -2.65 0.00 0.00 178.83 176.95 2aw0 h SER 20 N 0.59 -0.30 -0.07 -0.69 0.02 -0.69 -0.67 113.55 111.74 2aw0 h SER 20 Ca 0.17 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.16 2aw0 h SER 20 Cb -0.05 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 2aw0 h SER 20 CO -0.04 -0.19 -0.08 0.40 -1.14 0.00 0.00 176.83 175.77 2aw0 h ILE 21 N -0.29 0.76 0.17 3.27 2.04 -1.03 -0.83 117.51 121.61 2aw0 h ILE 21 Ca -0.01 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.86 2aw0 h ILE 21 Cb 0.25 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 2aw0 h ILE 21 CO 0.01 0.00 -0.34 -0.33 0.00 0.00 0.00 178.15 177.48 2aw0 h GLU 22 N -0.11 -0.58 0.10 2.37 5.08 -1.34 -1.13 114.58 118.97 2aw0 h GLU 22 Ca 0.06 0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 2aw0 h GLU 22 Cb 0.19 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 2aw0 h GLU 22 CO -0.14 -0.39 -0.36 0.78 -1.00 0.00 0.00 179.01 177.90 2aw0 h GLY 23 N -0.60 -0.70 1.01 -3.84 0.00 -0.87 -0.81 103.07 97.26 2aw0 h GLY 23 Ca 0.02 0.43 -0.04 0.00 0.00 0.00 0.00 47.33 47.75 2aw0 h GLY 23 CO -0.17 -0.26 -0.35 -2.08 0.00 0.00 0.00 176.54 173.68 2aw0 h VAL 24 N -0.58 0.28 -0.10 4.60 2.07 -1.11 -3.28 116.25 118.13 2aw0 h VAL 24 Ca 0.03 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.42 2aw0 h VAL 24 Cb 0.62 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 2aw0 h VAL 24 CO -0.23 0.00 -0.51 0.40 0.02 0.00 0.00 177.57 177.25 2aw0 h ILE 25 N -0.99 1.35 -0.73 4.57 2.04 -1.17 -3.05 117.51 119.54 2aw0 h ILE 25 Ca -0.10 -1.77 0.20 0.00 1.00 0.00 0.00 64.86 64.19 2aw0 h ILE 25 Cb 0.76 1.85 -0.03 0.00 -0.74 0.00 0.00 36.82 38.65 2aw0 h ILE 25 CO 0.16 0.53 0.52 0.77 0.00 0.00 0.00 178.15 180.12 2aw0 h SER 26 N 0.20 0.06 0.31 1.72 4.64 -1.19 -1.35 113.55 117.95 2aw0 h SER 26 Ca 0.01 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2aw0 h SER 26 Cb 0.98 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 2aw0 h SER 26 CO 0.08 0.03 -0.27 0.29 -0.87 0.00 0.00 176.83 176.09 2aw0 n LYS 27 N -4.35 0.67 -2.54 4.77 5.02 -1.15 -4.55 118.16 116.02 2aw0 n LYS 27 Ca 0.14 -0.37 -0.35 0.00 -2.02 0.00 0.00 58.31 55.71 2aw0 n LYS 27 Cb 0.75 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 34.23 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 -2.58 4.00 -0.04 1.97 -0.14 -0.51 -4.94 119.74 117.50 2aw0 s LYS 28 Ca 0.23 1.45 -0.39 0.00 -1.36 0.00 0.00 55.97 55.89 2aw0 s LYS 28 Cb 0.19 -2.34 -0.18 0.00 -1.68 0.00 0.00 37.83 33.82 2aw0 s LYS 28 CO 0.54 -0.27 1.35 -2.30 -0.76 0.00 0.00 175.35 173.91 2aw0 n PRO 29 N -0.47 0.75 0.00 -1.68 -0.02 -1.26 -1.84 135.00 130.47 2aw0 n PRO 29 Ca 0.07 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 2aw0 n PRO 29 Cb 0.51 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 2aw0 n PRO 29 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aw0 n GLY 30 N 2.62 2.69 3.75 -1.23 0.00 -1.26 -4.10 105.19 107.65 2aw0 n GLY 30 Ca 0.21 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.46 3.14 0.00 1.61 1.01 -0.77 -1.41 120.40 122.52 2aw0 s VAL 31 Ca 0.00 1.01 0.00 0.00 0.00 0.00 0.00 61.98 62.99 2aw0 s VAL 31 Cb 0.00 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.73 2aw0 s VAL 31 CO 0.00 0.19 0.00 0.29 0.00 0.00 0.00 175.10 175.58 2aw0 n LYS 32 N 1.98 0.00 -2.77 2.72 5.02 -0.27 -4.80 118.16 120.04 2aw0 n LYS 32 Ca 0.04 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.00 2aw0 n LYS 32 Cb 0.43 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.38 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 0.57 6.79 -0.15 4.39 1.04 -1.26 -4.84 113.70 120.24 2aw0 s SER 33 Ca 0.00 1.54 -0.09 0.00 0.48 0.00 0.00 55.95 57.88 2aw0 s SER 33 Cb 0.00 -2.48 0.05 0.00 0.10 0.00 0.00 66.02 63.69 2aw0 s SER 33 CO 0.00 -0.40 0.37 -0.51 0.98 0.00 0.00 173.24 173.68 2aw0 s ILE 34 N -2.28 -0.02 -0.29 -1.02 2.07 -1.26 -0.99 121.20 117.40 2aw0 s ILE 34 Ca 0.59 0.09 -0.00 0.00 -1.41 0.00 0.00 60.65 59.92 2aw0 s ILE 34 Cb -0.10 -0.55 0.09 0.00 0.13 0.00 0.00 42.46 42.04 2aw0 s ILE 34 CO 0.20 0.04 0.07 -0.13 -1.91 0.00 0.00 174.94 173.21 2aw0 s ARG 35 N 1.20 0.85 0.06 3.50 0.52 -0.28 -4.96 118.95 119.84 2aw0 s ARG 35 Ca -0.08 -1.05 0.00 0.00 -0.52 0.00 0.00 55.73 54.08 2aw0 s ARG 35 Cb -0.08 -2.16 -0.04 0.00 0.52 0.00 0.00 34.95 33.19 2aw0 s ARG 35 CO -0.10 -0.91 0.19 0.08 0.02 0.00 0.00 175.30 174.59 2aw0 s VAL 36 N 1.57 5.28 -0.02 3.52 1.01 -1.26 -1.23 120.40 129.26 2aw0 s VAL 36 Ca 0.07 -0.43 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 2aw0 s VAL 36 Cb -0.17 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.67 2aw0 s VAL 36 CO -0.20 0.14 0.04 -0.55 0.00 0.00 0.00 175.10 174.53 2aw0 s SER 37 N -2.48 0.15 -0.02 3.32 0.15 -0.50 -5.00 113.70 109.32 2aw0 s SER 37 Ca 0.34 0.05 -0.25 0.00 0.70 0.00 0.00 55.95 56.79 2aw0 s SER 37 Cb -0.13 -0.07 -0.20 0.00 -1.71 0.00 0.00 66.02 63.91 2aw0 s SER 37 CO 0.27 -0.14 1.24 0.25 1.20 0.00 0.00 173.24 176.06 2aw0 h LEU 38 N 7.39 0.05 -0.52 3.45 5.85 -1.96 -0.49 115.31 129.08 2aw0 h LEU 38 Ca -0.43 -0.52 0.09 0.00 0.84 0.00 0.00 57.88 57.86 2aw0 h LEU 38 Cb 1.12 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.06 2aw0 h LEU 38 CO 0.45 0.56 0.08 0.00 -0.34 0.00 0.00 178.44 179.19 2aw0 h ALA 39 N 0.49 0.57 0.00 1.25 0.00 -1.97 -1.46 119.26 118.13 2aw0 h ALA 39 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2aw0 h ALA 39 Cb 0.55 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2aw0 h ALA 39 CO 0.01 -0.33 -0.56 0.09 0.00 0.00 0.00 179.25 178.45 2aw0 n ASN 40 N -5.15 0.55 -3.57 0.00 3.02 -1.25 -4.99 115.26 103.87 2aw0 n ASN 40 Ca 0.06 -0.10 -0.24 0.00 -0.03 0.00 0.00 54.58 54.28 2aw0 n ASN 40 Cb 0.27 0.23 0.05 0.00 -0.61 0.00 0.00 39.78 39.72 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 -1.73 -4.25 -3.85 6.41 7.64 -0.24 -4.92 113.62 112.69 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 0.38 -4.11 -0.03 0.00 -1.01 0.00 0.00 64.21 59.43 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 -3.76 -0.19 -0.10 6.43 4.22 -0.89 -1.16 114.94 119.49 2aw0 s ASN 42 Ca 0.31 -0.73 -0.02 0.00 -2.14 0.00 0.00 52.86 50.27 2aw0 s ASN 42 Cb -0.08 0.70 0.04 0.00 1.28 0.00 0.00 41.25 43.18 2aw0 s ASN 42 CO 0.81 -1.31 0.04 -0.83 -2.04 0.00 0.00 177.10 173.77 2aw0 s GLY 43 N -2.96 0.42 -0.47 0.45 0.00 0.29 -1.41 107.32 103.65 2aw0 s GLY 43 Ca 0.15 -0.18 -0.16 0.00 0.00 0.00 0.00 44.72 44.53 2aw0 s GLY 43 CO 0.08 1.37 0.40 -1.59 0.00 0.00 0.00 173.10 173.36 2aw0 s THR 44 N 2.03 5.21 -0.10 0.90 2.01 -0.36 -1.33 115.64 124.00 2aw0 s THR 44 Ca 0.03 -0.95 -0.01 0.00 0.31 0.00 0.00 61.69 61.07 2aw0 s THR 44 Cb -0.14 -4.11 -0.03 0.00 0.01 0.00 0.00 72.50 68.23 2aw0 s THR 44 CO -0.06 -0.56 -0.04 -0.69 -0.69 0.00 0.00 174.62 172.58 2aw0 s VAL 45 N 1.73 3.90 -0.17 3.82 1.01 -0.33 -1.12 120.40 129.24 2aw0 s VAL 45 Ca 0.05 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 2aw0 s VAL 45 Cb -0.23 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 2aw0 s VAL 45 CO 0.08 0.57 0.03 -0.70 0.00 0.00 0.00 175.10 175.08 2aw0 s GLU 46 N -0.51 3.87 0.17 2.72 2.12 -0.16 -1.12 118.70 125.80 2aw0 s GLU 46 Ca 0.08 -0.40 -0.12 0.00 0.36 0.00 0.00 54.97 54.89 2aw0 s GLU 46 Cb -0.12 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.17 2aw0 s GLU 46 CO 0.02 0.27 0.37 1.52 -0.54 0.00 0.00 175.26 176.89 2aw0 s TYR 47 N 0.35 0.21 -0.36 5.30 1.13 -0.26 -1.12 117.35 122.60 2aw0 s TYR 47 Ca 0.01 -0.57 -0.15 0.00 -1.41 0.00 0.00 57.07 54.95 2aw0 s TYR 47 Cb -0.13 0.10 -0.00 0.00 -1.10 0.00 0.00 41.96 40.83 2aw0 s TYR 47 CO 0.01 -0.79 0.34 0.34 -2.51 0.00 0.00 175.55 172.94 2aw0 s ASP 48 N -2.93 6.15 0.39 -0.18 2.15 -0.50 -1.18 116.67 120.57 2aw0 s ASP 48 Ca 0.14 -0.42 0.22 0.00 0.43 0.00 0.00 52.55 52.92 2aw0 s ASP 48 Cb 0.02 -2.18 1.23 0.00 -0.30 0.00 0.00 42.92 41.68 2aw0 s ASP 48 CO -0.01 -0.36 1.68 -0.65 -0.17 0.00 0.00 175.17 175.65 2aw0 h PRO 49 N 8.53 0.24 -0.32 4.34 0.11 -1.78 -1.12 132.00 141.99 2aw0 h PRO 49 Ca -0.29 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.76 2aw0 h PRO 49 Cb 1.14 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2aw0 h PRO 49 CO 0.70 0.16 -0.00 -0.07 -0.21 0.00 0.00 178.00 178.57 2aw0 h LEU 50 N 0.25 0.46 0.00 2.35 3.38 -1.94 -3.30 115.31 116.50 2aw0 h LEU 50 Ca 0.73 -0.08 -0.20 0.00 0.09 0.00 0.00 57.88 58.42 2aw0 h LEU 50 Cb 1.99 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 42.58 2aw0 h LEU 50 CO -0.45 0.53 -1.93 0.18 0.09 0.00 0.00 178.44 176.86 2aw0 n LEU 51 N -4.29 0.00 -4.00 1.67 4.77 -0.68 -5.05 117.00 109.42 2aw0 n LEU 51 Ca 0.01 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.87 2aw0 n LEU 51 Cb 0.24 0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 2aw0 n LEU 51 CO 0.39 0.27 0.24 0.28 -1.33 0.00 0.00 177.39 177.24 2aw0 s THR 52 N -2.53 0.00 0.15 -5.08 -1.32 -0.51 -4.75 115.64 101.60 2aw0 s THR 52 Ca -0.07 -1.41 -0.11 0.00 -1.21 0.00 0.00 61.69 58.90 2aw0 s THR 52 Cb 0.06 -2.58 0.00 0.00 -1.51 0.00 0.00 72.50 68.47 2aw0 s THR 52 CO 0.61 0.00 0.30 -0.94 -2.21 0.00 0.00 174.62 172.38 2aw0 s SER 53 N -3.14 -0.00 0.38 8.08 1.04 -1.26 -3.69 113.70 115.10 2aw0 s SER 53 Ca 0.25 -0.72 0.12 0.00 0.48 0.00 0.00 55.95 56.08 2aw0 s SER 53 Cb -0.02 0.43 0.91 0.00 0.10 0.00 0.00 66.02 67.45 2aw0 s SER 53 CO 0.15 -0.87 1.86 -0.65 0.98 0.00 0.00 173.24 174.71 2aw0 h PRO 54 N 2.53 0.57 -0.27 4.02 0.11 -1.98 -0.74 132.00 136.23 2aw0 h PRO 54 Ca -0.32 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.68 2aw0 h PRO 54 Cb 1.23 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2aw0 h PRO 54 CO 0.49 0.38 -0.11 0.93 -0.21 0.00 0.00 178.00 179.48 2aw0 h GLU 55 N 0.59 0.55 -0.28 1.05 3.07 -1.98 0.00 114.58 117.58 2aw0 h GLU 55 Ca 0.46 -0.23 -0.01 0.00 -0.50 0.00 0.00 59.36 59.08 2aw0 h GLU 55 Cb 0.89 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.76 2aw0 h GLU 55 CO -0.21 0.79 0.15 1.15 -1.40 0.00 0.00 179.01 179.49 2aw0 h THR 56 N 0.29 1.12 -0.36 1.13 2.02 -1.78 -0.71 112.91 114.62 2aw0 h THR 56 Ca 0.06 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 2aw0 h THR 56 Cb 0.61 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 2aw0 h THR 56 CO 0.04 0.12 0.17 -0.07 0.37 0.00 0.00 175.52 176.15 2aw0 h LEU 57 N 0.34 0.47 -0.53 2.58 3.38 -1.11 -0.14 115.31 120.29 2aw0 h LEU 57 Ca 0.10 -0.12 0.09 0.00 0.09 0.00 0.00 57.88 58.03 2aw0 h LEU 57 Cb 0.06 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.62 2aw0 h LEU 57 CO -0.02 0.46 0.14 -0.09 0.09 0.00 0.00 178.44 179.03 2aw0 h ARG 58 N 0.44 0.29 -0.58 1.13 2.43 -0.90 -0.89 114.38 116.29 2aw0 h ARG 58 Ca 0.12 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.35 2aw0 h ARG 58 Cb 0.11 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.54 2aw0 h ARG 58 CO -0.02 0.19 0.26 0.78 -1.51 0.00 0.00 179.97 179.68 2aw0 h GLY 59 N 0.29 0.83 0.86 2.80 0.00 -0.46 -0.26 103.07 107.13 2aw0 h GLY 59 Ca 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 2aw0 h GLY 59 CO -0.32 0.06 0.04 0.00 0.00 0.00 0.00 176.54 176.32 2aw0 h ALA 60 N 1.35 0.15 -0.50 3.60 0.00 -0.31 -0.20 119.26 123.36 2aw0 h ALA 60 Ca 0.28 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.10 2aw0 h ALA 60 Cb 0.26 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2aw0 h ALA 60 CO -0.23 -0.26 0.32 0.82 0.00 0.00 0.00 179.25 179.91 2aw0 h ILE 61 N 0.02 1.11 -0.32 0.00 2.04 -1.00 -0.85 117.51 118.51 2aw0 h ILE 61 Ca 0.04 -0.23 0.03 0.00 1.00 0.00 0.00 64.86 65.71 2aw0 h ILE 61 Cb 0.18 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 2aw0 h ILE 61 CO -0.00 0.12 0.11 -0.08 0.00 0.00 0.00 178.15 178.30 2aw0 h GLU 62 N 0.66 0.25 -0.85 2.37 4.22 -0.92 -1.96 114.58 118.35 2aw0 h GLU 62 Ca 0.19 -0.01 0.02 0.00 0.08 0.00 0.00 59.36 59.63 2aw0 h GLU 62 Cb -0.05 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.10 2aw0 h GLU 62 CO -0.06 0.16 0.55 0.22 -2.18 0.00 0.00 179.01 177.71 2aw0 h ASP 63 N 0.26 0.95 -0.86 1.04 3.58 -0.50 -1.70 116.42 119.18 2aw0 h ASP 63 Ca 0.14 -0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.60 2aw0 h ASP 63 Cb 0.11 -0.23 -0.05 0.00 1.72 0.00 0.00 39.33 40.89 2aw0 h ASP 63 CO -0.14 0.67 0.56 0.24 -2.88 0.00 0.00 179.24 177.69 2aw0 h MET 64 N 1.11 1.08 0.00 0.28 2.86 -0.87 -3.47 114.93 115.93 2aw0 h MET 64 Ca 0.32 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 2aw0 h MET 64 Cb -0.08 -0.24 0.00 0.00 0.06 0.00 0.00 31.60 31.34 2aw0 h MET 64 CO -0.09 0.72 0.00 0.41 1.06 0.00 0.00 176.91 179.01 2aw0 n GLY 65 N -1.33 0.25 3.05 8.32 0.00 -0.64 -5.11 105.19 109.73 2aw0 n GLY 65 Ca 0.10 -0.71 -0.08 0.00 0.00 0.00 0.00 46.02 45.33 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 0.40 -0.78 1.61 0.08 -1.15 -4.97 117.98 113.17 2aw0 s PHE 66 Ca 0.00 -0.82 -0.26 0.00 0.12 0.00 0.00 56.93 55.97 2aw0 s PHE 66 Cb 0.00 -0.29 0.01 0.00 -0.57 0.00 0.00 43.02 42.16 2aw0 s PHE 66 CO 0.00 -0.31 1.60 0.34 -0.10 0.00 0.00 175.22 176.75 2aw0 s ASP 67 N -2.32 5.78 -0.24 1.36 2.15 -0.32 -4.11 116.67 118.97 2aw0 s ASP 67 Ca -0.02 -0.43 -0.11 0.00 0.43 0.00 0.00 52.55 52.42 2aw0 s ASP 67 Cb 0.01 -2.55 -0.05 0.00 -0.30 0.00 0.00 42.92 40.02 2aw0 s ASP 67 CO -0.06 -2.09 0.17 0.00 -0.17 0.00 0.00 175.17 173.02 2aw0 s ALA 68 N 7.35 3.60 0.06 3.66 0.00 -1.26 -1.62 121.76 133.55 2aw0 s ALA 68 Ca 0.53 -0.90 -0.14 0.00 0.00 0.00 0.00 51.96 51.45 2aw0 s ALA 68 Cb -0.08 -2.36 0.02 0.00 0.00 0.00 0.00 23.12 20.71 2aw0 s ALA 68 CO 0.09 -0.24 0.31 -0.08 0.00 0.00 0.00 175.76 175.84 2aw0 s THR 69 N 1.16 0.09 0.42 0.00 -1.32 -0.96 -4.96 115.64 110.07 2aw0 s THR 69 Ca 0.08 -0.73 -0.14 0.00 -1.21 0.00 0.00 61.69 59.70 2aw0 s THR 69 Cb -0.14 -1.04 -0.08 0.00 -1.51 0.00 0.00 72.50 69.74 2aw0 s THR 69 CO 0.05 -0.40 0.83 -0.76 -2.21 0.00 0.00 174.62 172.13 2aw0 s LEU 70 N -2.31 3.84 -0.38 9.08 1.43 -1.26 -0.24 118.68 128.83 2aw0 s LEU 70 Ca -0.02 1.30 0.11 0.00 -1.03 0.00 0.00 54.13 54.49 2aw0 s LEU 70 Cb 0.01 -4.18 0.34 0.00 0.03 0.00 0.00 46.19 42.39 2aw0 s LEU 70 CO -0.06 -0.40 0.77 -1.20 0.23 0.00 0.00 176.35 175.69 2aw0 n SER 71 N -1.13 0.35 0.00 2.29 7.64 -0.55 -4.75 113.62 117.47 2aw0 n SER 71 Ca 0.04 -3.09 0.00 0.00 1.01 0.00 0.00 58.87 56.83 2aw0 n SER 71 Cb 0.54 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 2aw0 n SER 71 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13