#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a2y n THR 2 N 0.00 1.03 0.23 2.03 -2.24 -1.26 -4.82 114.28 109.25 2a2y n THR 2 Ca 0.00 -0.26 0.13 0.00 -2.27 0.00 0.00 64.05 61.65 2a2y n THR 2 Cb 0.00 -0.27 0.35 0.00 -2.10 0.00 0.00 70.33 68.31 2a2y n THR 2 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2a2y h GLU 3 N 2.35 0.00 -2.38 -0.78 5.08 -1.92 -3.45 114.58 113.48 2a2y h GLU 3 Ca -0.40 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 57.88 2a2y h GLU 3 Cb 1.41 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.46 2a2y h GLU 3 CO 0.63 0.04 0.01 -1.59 -1.00 0.00 0.00 179.01 177.11 2a2y s LYS 4 N -3.37 0.90 0.00 2.33 -2.85 -1.26 -2.84 119.74 112.65 2a2y s LYS 4 Ca 0.05 0.12 0.00 0.00 -1.00 0.00 0.00 55.97 55.14 2a2y s LYS 4 Cb 0.07 0.42 0.00 0.00 -2.06 0.00 0.00 37.83 36.26 2a2y s LYS 4 CO 0.63 -0.27 0.00 -0.11 0.10 0.00 0.00 175.35 175.70 2a2y n LEU 5 N 1.13 -1.07 -4.59 2.77 0.00 -1.24 -4.95 117.00 109.05 2a2y n LEU 5 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 56.01 55.40 2a2y n LEU 5 Cb 0.57 -0.27 -0.07 0.00 0.00 0.00 0.00 43.42 43.65 2a2y n LEU 5 CO 0.22 0.00 0.36 0.21 0.00 0.00 0.00 177.39 178.19 2a2y s ASN 6 N -2.08 6.46 -0.30 1.96 2.47 -1.09 -4.99 114.94 117.37 2a2y s ASN 6 Ca 0.00 0.33 -0.18 0.00 0.42 0.00 0.00 52.86 53.44 2a2y s ASN 6 Cb 0.00 -2.32 -0.02 0.00 -1.45 0.00 0.00 41.25 37.46 2a2y s ASN 6 CO 0.00 -0.49 0.50 -1.83 -3.72 0.00 0.00 177.10 171.56 2a2y s GLU 7 N 2.59 3.88 0.11 0.43 -1.05 -1.26 -1.72 118.70 121.67 2a2y s GLU 7 Ca 0.24 0.09 0.06 0.00 -0.15 0.00 0.00 54.97 55.21 2a2y s GLU 7 Cb -0.15 -3.72 -0.04 0.00 -0.44 0.00 0.00 34.13 29.79 2a2y s GLU 7 CO 0.12 -0.46 -0.15 0.42 0.95 0.00 0.00 175.26 176.14 2a2y s ILE 8 N 2.32 1.36 -0.13 1.83 1.01 0.12 -4.90 121.20 122.80 2a2y s ILE 8 Ca 0.19 -1.63 -0.01 0.00 0.00 0.00 0.00 60.65 59.21 2a2y s ILE 8 Cb -0.16 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.83 2a2y s ILE 8 CO 0.11 -0.33 -0.10 0.54 0.00 0.00 0.00 174.94 175.16 2a2y s VAL 9 N -1.85 3.35 0.54 2.92 0.11 -1.26 -1.82 120.40 122.40 2a2y s VAL 9 Ca 0.07 -0.56 -0.03 0.00 -2.93 0.00 0.00 61.98 58.52 2a2y s VAL 9 Cb -0.07 -2.42 0.01 0.00 -1.53 0.00 0.00 36.38 32.37 2a2y s VAL 9 CO 0.03 0.52 0.82 0.54 -3.33 0.00 0.00 175.10 173.69 2a2y s VAL 10 N 0.21 3.67 0.25 2.04 0.11 -0.08 -4.82 120.40 121.78 2a2y s VAL 10 Ca -0.06 -0.21 0.02 0.00 -2.93 0.00 0.00 61.98 58.80 2a2y s VAL 10 Cb -0.15 -3.42 -0.04 0.00 -1.53 0.00 0.00 36.38 31.24 2a2y s VAL 10 CO 0.04 -0.38 0.16 -0.13 -3.33 0.00 0.00 175.10 171.46 2a2y s ARG 11 N -4.84 1.40 0.00 1.54 0.52 -1.26 -4.71 118.95 111.60 2a2y s ARG 11 Ca 0.52 -1.77 0.24 0.00 -0.52 0.00 0.00 55.73 54.20 2a2y s ARG 11 Cb -0.10 0.13 0.17 0.00 0.52 0.00 0.00 34.95 35.66 2a2y s ARG 11 CO 0.42 -0.43 1.20 0.36 0.02 0.00 0.00 175.30 176.87 2a2y n LYS 12 N -0.42 1.27 -0.01 3.54 2.85 -1.26 -3.76 118.16 120.36 2a2y n LYS 12 Ca 0.02 -1.01 0.13 0.00 -1.05 0.00 0.00 58.31 56.41 2a2y n LYS 12 Cb 0.65 -1.48 0.35 0.00 -0.65 0.00 0.00 35.03 33.90 2a2y n LYS 12 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 2a2y n THR 13 N 0.01 0.02 -5.08 0.58 5.66 -1.26 -4.78 114.28 109.43 2a2y n THR 13 Ca 0.10 -0.36 -0.32 0.00 -3.05 0.00 0.00 64.05 60.42 2a2y n THR 13 Cb 0.46 0.88 -0.16 0.00 -1.55 0.00 0.00 70.33 69.96 2a2y n THR 13 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2a2y s LYS 14 N -1.98 3.05 1.13 1.09 3.01 -1.25 -5.12 119.74 119.68 2a2y s LYS 14 Ca 0.34 -0.82 -0.16 0.00 -1.01 0.00 0.00 55.97 54.33 2a2y s LYS 14 Cb 0.21 -2.38 0.25 0.00 -1.01 0.00 0.00 37.83 34.90 2a2y s LYS 14 CO 0.32 0.24 1.07 -0.80 0.51 0.00 0.00 175.35 176.69 2a2y s ASN 15 N 0.22 1.46 0.33 2.83 -0.87 -1.26 -4.79 114.94 112.86 2a2y s ASN 15 Ca -0.13 1.01 0.02 0.00 -1.57 0.00 0.00 52.86 52.19 2a2y s ASN 15 Cb -0.16 -1.53 0.58 0.00 -0.02 0.00 0.00 41.25 40.11 2a2y s ASN 15 CO 0.07 -3.83 1.91 -0.37 -2.57 0.00 0.00 177.10 172.31 2a2y h VAL 16 N -2.38 1.19 -0.39 1.60 -1.51 -1.94 -1.90 116.25 110.93 2a2y h VAL 16 Ca -0.52 -0.61 -0.16 0.00 -1.23 0.00 0.00 66.70 64.18 2a2y h VAL 16 Cb 1.32 0.64 -0.01 0.00 -2.13 0.00 0.00 31.29 31.11 2a2y h VAL 16 CO 0.47 0.23 -0.39 1.05 -1.23 0.00 0.00 177.57 177.71 2a2y h GLU 17 N 0.69 0.94 -1.03 5.19 4.11 -1.96 -2.13 114.58 120.37 2a2y h GLU 17 Ca 0.16 -0.49 0.26 0.00 0.07 0.00 0.00 59.36 59.36 2a2y h GLU 17 Cb 0.17 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.33 2a2y h GLU 17 CO -0.01 1.15 0.64 -0.44 0.07 0.00 0.00 179.01 180.42 2a2y h ASP 18 N 0.77 0.54 0.60 3.06 3.32 -1.66 1.30 116.42 124.34 2a2y h ASP 18 Ca 0.06 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.22 2a2y h ASP 18 Cb 0.98 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.56 2a2y h ASP 18 CO 0.10 0.08 -1.36 1.41 -1.72 0.00 0.00 179.24 177.75 2a2y n HIS 19 N -4.74 0.57 0.05 4.55 8.25 -1.17 -1.98 115.22 120.75 2a2y n HIS 19 Ca 0.26 0.17 -0.08 0.00 -0.26 0.00 0.00 57.72 57.81 2a2y n HIS 19 Cb 0.84 -0.76 0.06 0.00 1.12 0.00 0.00 29.99 31.25 2a2y n HIS 19 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 2a2y h VAL 20 N 0.00 1.37 0.32 1.59 3.04 0.05 0.54 116.25 123.16 2a2y h VAL 20 Ca 0.00 -2.04 -0.02 0.00 -1.01 0.00 0.00 66.70 63.63 2a2y h VAL 20 Cb 0.98 2.03 0.00 0.00 -2.01 0.00 0.00 31.29 32.29 2a2y h VAL 20 CO 0.00 0.61 -0.15 -0.07 -1.01 0.00 0.00 177.57 176.95 2a2y h LEU 21 N 0.27 -0.36 -1.74 3.16 3.38 0.15 -0.47 115.31 119.70 2a2y h LEU 21 Ca -0.02 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 2a2y h LEU 21 Cb 1.21 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 2a2y h LEU 21 CO 0.11 0.07 -0.13 -0.78 0.09 0.00 0.00 178.44 177.80 2a2y h ASP 22 N -0.88 0.00 0.24 -0.43 3.58 -1.35 -1.06 116.42 116.52 2a2y h ASP 22 Ca -0.04 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 2a2y h ASP 22 Cb 0.52 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.57 2a2y h ASP 22 CO 0.07 0.13 -0.11 0.58 -2.88 0.00 0.00 179.24 177.03 2a2y h VAL 23 N 0.00 0.73 0.00 2.25 2.07 0.19 -1.58 116.25 119.91 2a2y h VAL 23 Ca -0.00 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.63 2a2y h VAL 23 Cb 0.24 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 2a2y h VAL 23 CO 0.02 0.16 0.00 -0.29 0.02 0.00 0.00 177.57 177.48 2a2y h ILE 24 N -0.84 0.00 0.06 4.57 2.10 -0.86 -1.98 117.51 120.57 2a2y h ILE 24 Ca -0.03 -0.04 -0.12 0.00 1.08 0.00 0.00 64.86 65.75 2a2y h ILE 24 Cb 0.51 0.60 0.00 0.00 -1.09 0.00 0.00 36.82 36.85 2a2y h ILE 24 CO 0.05 0.00 -0.55 0.58 -1.08 0.00 0.00 178.15 177.15 2a2y h VAL 25 N 0.00 1.54 -0.33 2.19 2.07 -0.87 -3.19 116.25 117.67 2a2y h VAL 25 Ca 0.00 -2.41 -0.08 0.00 0.82 0.00 0.00 66.70 65.03 2a2y h VAL 25 Cb 0.07 3.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.98 2a2y h VAL 25 CO 0.00 0.64 -0.12 -0.07 0.02 0.00 0.00 177.57 178.03 2a2y h LEU 26 N -0.69 0.55 -2.30 2.57 3.38 -0.60 -0.45 115.31 117.77 2a2y h LEU 26 Ca -0.11 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2a2y h LEU 26 Cb 1.34 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 2a2y h LEU 26 CO 0.05 0.70 -0.05 0.15 0.09 0.00 0.00 178.44 179.38 2a2y h PHE 27 N 0.52 0.00 0.00 1.13 3.57 -1.50 0.89 116.94 121.55 2a2y h PHE 27 Ca 0.09 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 2a2y h PHE 27 Cb 0.52 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.26 2a2y h PHE 27 CO 0.02 0.05 -0.16 -0.97 -2.23 0.00 0.00 178.31 175.02 2a2y h ASN 28 N 0.00 0.00 0.90 0.41 -1.24 -1.05 -0.91 115.58 113.68 2a2y h ASN 28 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2a2y h ASN 28 Cb 0.15 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.20 2a2y h ASN 28 CO 0.01 0.16 -0.51 0.00 -1.29 0.00 0.00 177.43 175.79 2a2y n GLN 29 N -4.29 0.24 0.00 6.67 6.02 0.27 -4.89 117.38 121.40 2a2y n GLN 29 Ca -0.02 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 2a2y n GLN 29 Cb 0.23 -1.67 0.00 0.00 1.02 0.00 0.00 30.24 29.82 2a2y n GLN 29 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2a2y n GLY 30 N 1.36 1.11 3.55 1.08 0.00 -0.35 -4.95 105.19 106.99 2a2y n GLY 30 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 2a2y n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2a2y s ILE 31 N -1.63 3.56 -0.01 -0.61 -1.09 -0.97 -4.36 121.20 116.09 2a2y s ILE 31 Ca 0.00 0.21 0.01 0.00 -2.23 0.00 0.00 60.65 58.65 2a2y s ILE 31 Cb 0.00 -4.45 -0.26 0.00 -1.58 0.00 0.00 42.46 36.17 2a2y s ILE 31 CO 0.00 -1.40 0.79 0.44 -1.23 0.00 0.00 174.94 173.54 2a2y h ASP 32 N 12.25 0.26 -2.94 3.58 3.32 -1.89 -3.35 116.42 127.64 2a2y h ASP 32 Ca -0.22 -0.40 -0.67 0.00 0.02 0.00 0.00 57.03 55.75 2a2y h ASP 32 Cb 1.09 -0.08 -0.10 0.00 0.22 0.00 0.00 39.33 40.46 2a2y h ASP 32 CO 1.26 1.34 -0.54 -1.61 -1.72 0.00 0.00 179.24 177.97 2a2y s GLU 33 N -2.61 3.23 -0.10 3.56 2.02 -1.25 -1.16 118.70 122.39 2a2y s GLU 33 Ca -0.09 -0.29 -0.16 0.00 0.02 0.00 0.00 54.97 54.45 2a2y s GLU 33 Cb 0.07 -3.00 0.04 0.00 0.10 0.00 0.00 34.13 31.34 2a2y s GLU 33 CO 0.83 0.72 0.41 0.54 0.02 0.00 0.00 175.26 177.78 2a2y s VAL 34 N -1.04 0.02 -0.10 2.63 0.11 -0.72 -2.68 120.40 118.61 2a2y s VAL 34 Ca 0.17 -0.16 0.03 0.00 -2.93 0.00 0.00 61.98 59.10 2a2y s VAL 34 Cb -0.12 -0.64 0.01 0.00 -1.53 0.00 0.00 36.38 34.10 2a2y s VAL 34 CO 0.07 -0.09 -0.21 -0.63 -3.33 0.00 0.00 175.10 170.91 2a2y s ILE 35 N -0.41 1.89 -0.19 7.04 1.01 -0.70 -1.07 121.20 128.76 2a2y s ILE 35 Ca -0.05 -0.91 -0.03 0.00 0.00 0.00 0.00 60.65 59.66 2a2y s ILE 35 Cb -0.03 -1.65 -0.01 0.00 0.01 0.00 0.00 42.46 40.77 2a2y s ILE 35 CO 0.03 0.52 -0.06 -0.76 0.00 0.00 0.00 174.94 174.67 2a2y s LEU 36 N 0.54 2.93 -0.19 2.97 1.02 -0.01 0.13 118.68 126.06 2a2y s LEU 36 Ca -0.15 -0.33 -0.08 0.00 0.02 0.00 0.00 54.13 53.59 2a2y s LEU 36 Cb -0.17 -1.72 -0.04 0.00 0.02 0.00 0.00 46.19 44.27 2a2y s LEU 36 CO 0.05 0.05 0.08 -0.54 0.02 0.00 0.00 176.35 176.01 2a2y s LYS 37 N 1.08 4.00 0.04 1.70 1.02 -0.75 -2.18 119.74 124.64 2a2y s LYS 37 Ca 0.01 -0.32 -0.00 0.00 0.02 0.00 0.00 55.97 55.67 2a2y s LYS 37 Cb -0.15 -3.29 -0.03 0.00 -0.52 0.00 0.00 37.83 33.85 2a2y s LYS 37 CO -0.00 0.23 -0.04 0.20 -0.92 0.00 0.00 175.35 174.82 2a2y s GLY 38 N 0.52 0.37 0.00 -3.33 0.00 -0.94 -0.90 107.32 103.04 2a2y s GLY 38 Ca 0.04 -0.87 0.02 0.00 0.00 0.00 0.00 44.72 43.91 2a2y s GLY 38 CO 0.01 -0.95 -0.06 -0.51 0.00 0.00 0.00 173.10 171.59 2a2y s THR 39 N -2.45 0.44 0.00 0.90 -4.23 -1.26 -1.42 115.64 107.62 2a2y s THR 39 Ca -0.06 -0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.13 2a2y s THR 39 Cb -0.03 -0.39 0.00 0.00 1.34 0.00 0.00 72.50 73.42 2a2y s THR 39 CO -0.04 0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 2a2y n GLY 40 N 2.78 0.21 0.08 3.99 0.00 -0.29 -0.20 105.19 111.76 2a2y n GLY 40 Ca -0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.72 2a2y n GLY 40 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2a2y h ARG 41 N 0.00 0.00 -0.01 1.61 3.08 -1.95 -3.32 114.38 113.79 2a2y h ARG 41 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2a2y h ARG 41 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 2a2y h ARG 41 CO 0.00 0.89 0.01 0.93 -1.07 0.00 0.00 179.97 180.73 2a2y h GLU 42 N -1.00 0.00 -0.94 0.04 5.08 -0.86 -2.05 114.58 114.85 2a2y h GLU 42 Ca -0.15 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.40 2a2y h GLU 42 Cb 1.05 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.22 2a2y h GLU 42 CO -0.09 0.00 0.61 0.97 -1.00 0.00 0.00 179.01 179.49 2a2y h ILE 43 N 0.00 0.70 0.00 3.13 2.10 -1.58 0.14 117.51 121.99 2a2y h ILE 43 Ca 0.00 -0.19 -0.03 0.00 1.08 0.00 0.00 64.86 65.73 2a2y h ILE 43 Cb 0.03 0.11 -0.00 0.00 -1.09 0.00 0.00 36.82 35.86 2a2y h ILE 43 CO -0.00 0.10 -0.57 0.28 -1.08 0.00 0.00 178.15 176.88 2a2y h SER 44 N 0.54 0.00 0.00 2.19 0.02 -1.55 -3.31 113.55 111.45 2a2y h SER 44 Ca 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.45 2a2y h SER 44 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 2a2y h SER 44 CO -0.24 0.12 0.00 0.29 -1.14 0.00 0.00 176.83 175.86 2a2y n LYS 45 N -2.94 0.00 -0.22 3.45 4.76 0.45 -2.35 118.16 121.31 2a2y n LYS 45 Ca 0.01 0.42 0.12 0.00 -2.87 0.00 0.00 58.31 55.98 2a2y n LYS 45 Cb 0.59 -1.36 0.22 0.00 -1.84 0.00 0.00 35.03 32.64 2a2y n LYS 45 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2a2y n ALA 46 N -1.75 0.39 -0.01 7.82 0.00 -0.98 -0.94 120.51 125.04 2a2y n ALA 46 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 53.44 54.12 2a2y n ALA 46 Cb 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 19.45 18.92 2a2y n ALA 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2a2y n VAL 47 N -4.78 0.00 -0.31 0.00 0.31 -1.11 -2.60 118.33 109.85 2a2y n VAL 47 Ca 0.17 1.50 0.15 0.00 -0.01 0.00 0.00 64.34 66.14 2a2y n VAL 47 Cb 0.56 -2.42 0.32 0.00 -0.91 0.00 0.00 33.84 31.38 2a2y n VAL 47 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 2a2y h ASP 48 N 0.00 -0.02 -0.39 4.52 1.82 -0.65 0.13 116.42 121.83 2a2y h ASP 48 Ca 0.00 0.21 0.06 0.00 -0.39 0.00 0.00 57.03 56.91 2a2y h ASP 48 Cb 0.00 0.29 -0.09 0.00 0.68 0.00 0.00 39.33 40.21 2a2y h ASP 48 CO 0.00 -0.20 -0.47 0.58 -1.61 0.00 0.00 179.24 177.55 2a2y h VAL 49 N 0.18 0.08 0.09 2.25 2.07 -1.14 0.69 116.25 120.46 2a2y h VAL 49 Ca 0.58 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 68.10 2a2y h VAL 49 Cb 1.22 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2a2y h VAL 49 CO -0.69 0.00 -0.04 1.88 0.02 0.00 0.00 177.57 178.73 2a2y h TYR 50 N -0.36 -0.12 -0.56 1.57 0.05 -0.72 0.28 116.97 117.11 2a2y h TYR 50 Ca 0.12 -0.00 0.11 0.00 0.05 0.00 0.00 58.73 59.00 2a2y h TYR 50 Cb 0.59 0.04 -0.09 0.00 1.01 0.00 0.00 36.73 38.28 2a2y h TYR 50 CO -0.65 0.15 0.03 -2.95 -1.05 0.00 0.00 178.16 173.70 2a2y h ASN 51 N -0.38 -0.17 -0.09 3.88 7.08 -1.15 3.83 115.58 128.57 2a2y h ASN 51 Ca -0.01 0.13 -0.07 0.00 -3.08 0.00 0.00 56.30 53.27 2a2y h ASN 51 Cb 0.32 0.21 -0.01 0.00 -2.08 0.00 0.00 38.32 36.76 2a2y h ASN 51 CO 0.02 -0.06 -0.14 0.77 -2.08 0.00 0.00 177.43 175.94 2a2y h SER 52 N 0.15 0.41 1.26 6.14 4.64 -0.73 1.53 113.55 126.95 2a2y h SER 52 Ca 0.29 -0.10 -0.10 0.00 -0.47 0.00 0.00 61.79 61.40 2a2y h SER 52 Cb 0.45 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 2a2y h SER 52 CO -0.45 0.58 -0.78 0.25 -0.87 0.00 0.00 176.83 175.57 2a2y h LEU 53 N 0.40 0.00 0.03 5.97 5.85 0.35 -2.97 115.31 124.94 2a2y h LEU 53 Ca 0.07 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 2a2y h LEU 53 Cb 0.48 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2a2y h LEU 53 CO 0.03 0.42 -0.18 0.50 -0.34 0.00 0.00 178.44 178.87 2a2y h LYS 54 N 0.00 0.07 0.00 1.25 3.11 0.75 -2.72 116.57 119.03 2a2y h LYS 54 Ca -0.05 -0.11 0.00 0.00 -2.81 0.00 0.00 60.65 57.68 2a2y h LYS 54 Cb 1.36 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.63 2a2y h LYS 54 CO 0.05 1.05 0.32 -3.47 -2.81 0.00 0.00 179.45 174.59 2a2y n ASP 55 N -4.51 0.17 -0.07 4.20 2.03 0.52 0.11 116.55 119.01 2a2y n ASP 55 Ca -0.11 0.41 -0.11 0.00 0.52 0.00 0.00 54.79 55.50 2a2y n ASP 55 Cb 0.55 -0.36 -0.04 0.00 -0.72 0.00 0.00 41.12 40.55 2a2y n ASP 55 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2a2y h ARG 56 N 0.00 0.35 0.00 -0.67 9.65 -1.31 -3.42 114.38 118.98 2a2y h ARG 56 Ca 0.00 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 2a2y h ARG 56 Cb 0.64 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.18 2a2y h ARG 56 CO 0.00 0.47 0.00 -0.11 2.80 0.00 0.00 179.97 183.13 2a2y n LEU 57 N -4.75 0.00 0.00 3.80 7.94 0.54 -5.02 117.00 119.50 2a2y n LEU 57 Ca -0.04 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.86 2a2y n LEU 57 Cb 0.18 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.13 2a2y n LEU 57 CO 0.36 0.05 0.00 0.61 -1.11 0.00 0.00 177.39 177.30 2a2y n GLY 58 N 0.00 0.33 0.20 -3.96 0.00 0.31 -3.85 105.19 98.21 2a2y n GLY 58 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2a2y n GLY 58 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2a2y h ASP 59 N 0.00 0.57 -0.08 1.61 1.82 -1.96 -2.81 116.42 115.57 2a2y h ASP 59 Ca 0.00 -0.33 -0.00 0.00 -0.39 0.00 0.00 57.03 56.30 2a2y h ASP 59 Cb 0.00 -0.17 -0.00 0.00 0.68 0.00 0.00 39.33 39.84 2a2y h ASP 59 CO 0.00 1.05 0.00 0.61 -1.61 0.00 0.00 179.24 179.30 2a2y n GLY 60 N 0.37 1.74 3.41 -0.78 0.00 -1.25 -4.06 105.19 104.63 2a2y n GLY 60 Ca -0.04 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 2a2y n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a2y s VAL 61 N -1.20 -0.01 0.04 1.61 1.01 -1.06 -4.18 120.40 116.60 2a2y s VAL 61 Ca 0.08 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.11 2a2y s VAL 61 Cb 0.06 -0.75 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 2a2y s VAL 61 CO 0.02 0.02 -0.06 -1.10 0.00 0.00 0.00 175.10 173.98 2a2y s GLN 62 N 1.10 0.46 -0.45 2.72 -1.52 0.93 -4.72 119.66 118.17 2a2y s GLN 62 Ca -0.07 -0.74 -0.19 0.00 -1.95 0.00 0.00 55.36 52.41 2a2y s GLN 62 Cb -0.06 -0.13 0.03 0.00 -0.22 0.00 0.00 33.01 32.64 2a2y s GLN 62 CO -0.10 0.01 0.56 -1.17 -0.25 0.00 0.00 175.29 174.34 2a2y s LEU 63 N -1.64 4.77 -0.07 2.90 0.20 -1.26 0.26 118.68 123.84 2a2y s LEU 63 Ca -0.11 -0.63 0.18 0.00 0.69 0.00 0.00 54.13 54.26 2a2y s LEU 63 Cb -0.09 -2.52 -0.27 0.00 -0.43 0.00 0.00 46.19 42.88 2a2y s LEU 63 CO -0.01 -0.74 0.31 0.55 -0.29 0.00 0.00 176.35 176.17 2a2y n VAL 64 N 5.63 0.36 -3.50 1.68 3.14 -1.26 -4.88 118.33 119.49 2a2y n VAL 64 Ca -0.05 -0.52 -0.14 0.00 -2.96 0.00 0.00 64.34 60.67 2a2y n VAL 64 Cb 0.47 -0.11 -0.04 0.00 -1.06 0.00 0.00 33.84 33.09 2a2y n VAL 64 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 2a2y s ASN 65 N -4.45 -0.55 -0.28 6.55 3.84 -1.26 -5.03 114.94 113.76 2a2y s ASN 65 Ca -0.07 0.39 -0.16 0.00 0.21 0.00 0.00 52.86 53.23 2a2y s ASN 65 Cb 0.10 0.50 0.10 0.00 -0.55 0.00 0.00 41.25 41.39 2a2y s ASN 65 CO 0.76 -0.66 0.76 -0.69 -2.79 0.00 0.00 177.10 174.48 2a2y s VAL 66 N -2.07 -0.04 0.04 -5.21 1.01 -1.26 -0.34 120.40 112.53 2a2y s VAL 66 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 2a2y s VAL 66 Cb -0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 2a2y s VAL 66 CO 0.00 0.00 -0.00 -1.58 0.00 0.00 0.00 175.10 173.52 2a2y s GLN 67 N 1.62 0.55 0.01 2.72 0.74 0.14 -4.99 119.66 120.46 2a2y s GLN 67 Ca -0.10 -1.02 0.01 0.00 0.05 0.00 0.00 55.36 54.31 2a2y s GLN 67 Cb -0.05 0.20 -0.01 0.00 1.10 0.00 0.00 33.01 34.25 2a2y s GLN 67 CO -0.19 -0.11 -0.04 0.95 -0.55 0.00 0.00 175.29 175.35 2a2y s THR 68 N -3.21 0.31 -0.01 -0.34 -4.23 -1.26 0.18 115.64 107.08 2a2y s THR 68 Ca 0.00 -0.48 -0.29 0.00 -1.18 0.00 0.00 61.69 59.74 2a2y s THR 68 Cb 0.03 -0.33 0.10 0.00 1.34 0.00 0.00 72.50 73.64 2a2y s THR 68 CO -0.07 -0.12 0.89 -0.83 -0.54 0.00 0.00 174.62 173.95 2a2y s GLY 69 N -0.65 -0.46 0.29 3.99 0.00 -0.87 -4.96 107.32 104.66 2a2y s GLY 69 Ca -0.04 1.03 0.04 0.00 0.00 0.00 0.00 44.72 45.75 2a2y s GLY 69 CO -0.00 0.34 0.43 -1.35 0.00 0.00 0.00 173.10 172.53 2a2y s SER 70 N -2.47 6.23 0.33 1.64 1.04 -1.26 -1.39 113.70 117.83 2a2y s SER 70 Ca 0.05 0.11 -0.13 0.00 0.48 0.00 0.00 55.95 56.46 2a2y s SER 70 Cb -0.01 -1.77 0.03 0.00 0.10 0.00 0.00 66.02 64.37 2a2y s SER 70 CO -0.09 -0.21 0.66 -1.83 0.98 0.00 0.00 173.24 172.75 2a2y s GLU 71 N -4.11 1.97 -0.01 4.02 4.04 0.23 -4.87 118.70 119.96 2a2y s GLU 71 Ca 0.38 -1.39 -0.17 0.00 0.04 0.00 0.00 54.97 53.83 2a2y s GLU 71 Cb -0.09 0.56 -0.06 0.00 0.02 0.00 0.00 34.13 34.56 2a2y s GLU 71 CO 0.31 -0.88 0.48 0.08 -1.84 0.00 0.00 175.26 173.41 2a2y s VAL 72 N -3.06 4.98 -0.27 1.83 1.01 -1.26 -0.52 120.40 123.11 2a2y s VAL 72 Ca 0.19 0.99 -0.01 0.00 0.00 0.00 0.00 61.98 63.15 2a2y s VAL 72 Cb -0.04 -3.80 0.14 0.00 0.00 0.00 0.00 36.38 32.68 2a2y s VAL 72 CO 0.12 0.50 0.32 -0.60 0.00 0.00 0.00 175.10 175.44 2a2y s ARG 73 N -0.63 0.33 0.00 2.72 3.52 0.39 -4.86 118.95 120.41 2a2y s ARG 73 Ca 0.26 0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.90 2a2y s ARG 73 Cb -0.17 -0.63 0.00 0.00 -1.56 0.00 0.00 34.95 32.59 2a2y s ARG 73 CO 0.14 -0.93 0.00 -3.47 -0.81 0.00 0.00 175.30 170.23 2a2y n ASP 74 N 5.33 -0.91 -2.78 -2.12 -0.08 -1.26 -3.99 116.55 110.74 2a2y n ASP 74 Ca -0.02 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.07 2a2y n ASP 74 Cb 0.48 -0.30 0.05 0.00 2.34 0.00 0.00 41.12 43.68 2a2y n ASP 74 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2a2y n ARG 75 N -0.65 -5.32 -3.55 -0.67 3.00 -1.26 -4.99 116.66 103.23 2a2y n ARG 75 Ca 0.00 0.71 -0.15 0.00 -0.01 0.00 0.00 57.85 58.40 2a2y n ARG 75 Cb 0.30 -5.27 -0.05 0.00 0.00 0.00 0.00 32.46 27.43 2a2y n ARG 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2a2y s ARG 76 N -5.79 1.04 0.04 5.56 3.52 -1.26 -5.14 118.95 116.93 2a2y s ARG 76 Ca 0.37 -0.09 -0.23 0.00 -0.13 0.00 0.00 55.73 55.65 2a2y s ARG 76 Cb -0.16 0.48 -0.06 0.00 -1.56 0.00 0.00 34.95 33.65 2a2y s ARG 76 CO 0.45 -0.37 0.70 0.50 -0.81 0.00 0.00 175.30 175.78 2a2y s ARG 77 N -2.08 4.43 0.04 5.12 3.52 -1.26 -0.46 118.95 128.26 2a2y s ARG 77 Ca -0.07 0.94 -0.02 0.00 -0.13 0.00 0.00 55.73 56.45 2a2y s ARG 77 Cb -0.01 -3.35 -0.02 0.00 -1.56 0.00 0.00 34.95 30.01 2a2y s ARG 77 CO 0.02 0.34 0.01 -1.50 -0.81 0.00 0.00 175.30 173.36 2a2y s ILE 78 N -0.20 0.16 0.48 4.11 2.07 0.32 -4.90 121.20 123.23 2a2y s ILE 78 Ca 0.35 -1.28 -0.05 0.00 -1.41 0.00 0.00 60.65 58.26 2a2y s ILE 78 Cb -0.20 -0.91 -0.04 0.00 0.13 0.00 0.00 42.46 41.44 2a2y s ILE 78 CO 0.21 -0.71 0.78 -0.94 -1.91 0.00 0.00 174.94 172.37 2a2y s SER 79 N -2.19 6.26 0.03 4.50 1.04 -1.26 -0.60 113.70 121.47 2a2y s SER 79 Ca -0.04 0.92 -0.07 0.00 0.48 0.00 0.00 55.95 57.23 2a2y s SER 79 Cb -0.01 -2.24 -0.00 0.00 0.10 0.00 0.00 66.02 63.87 2a2y s SER 79 CO -0.05 -0.57 0.14 -0.72 0.98 0.00 0.00 173.24 173.02 2a2y s TYR 80 N -2.73 0.10 -0.06 5.02 -0.85 -0.48 -1.14 117.35 117.20 2a2y s TYR 80 Ca 0.47 -0.31 0.03 0.00 -0.52 0.00 0.00 57.07 56.75 2a2y s TYR 80 Cb -0.10 -0.07 0.00 0.00 0.38 0.00 0.00 41.96 42.17 2a2y s TYR 80 CO 0.45 -0.36 -0.16 -1.50 -1.52 0.00 0.00 175.55 172.45 2a2y s ILE 81 N -2.20 1.43 -0.21 -3.49 2.07 -0.51 -2.06 121.20 116.23 2a2y s ILE 81 Ca -0.08 -0.67 -0.05 0.00 -1.41 0.00 0.00 60.65 58.44 2a2y s ILE 81 Cb -0.03 -1.26 -0.02 0.00 0.13 0.00 0.00 42.46 41.28 2a2y s ILE 81 CO -0.02 0.42 -0.01 -0.76 -1.91 0.00 0.00 174.94 172.66 2a2y s LEU 82 N 0.38 3.14 -0.05 8.50 1.43 0.47 -2.21 118.68 130.34 2a2y s LEU 82 Ca -0.12 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 52.72 2a2y s LEU 82 Cb -0.15 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.29 2a2y s LEU 82 CO 0.04 0.02 -0.06 -0.22 0.23 0.00 0.00 176.35 176.36 2a2y s LEU 83 N 1.23 1.38 0.48 1.79 0.20 -0.93 0.27 118.68 123.10 2a2y s LEU 83 Ca 0.03 -0.17 0.08 0.00 0.69 0.00 0.00 54.13 54.76 2a2y s LEU 83 Cb -0.15 -0.55 0.03 0.00 -0.43 0.00 0.00 46.19 45.10 2a2y s LEU 83 CO 0.01 -0.04 0.65 -0.60 -0.29 0.00 0.00 176.35 176.08 2a2y s ARG 84 N 0.91 2.65 -0.23 1.98 3.52 0.54 -0.83 118.95 127.49 2a2y s ARG 84 Ca -0.11 -1.30 -0.20 0.00 -0.13 0.00 0.00 55.73 54.00 2a2y s ARG 84 Cb -0.15 -2.70 0.06 0.00 -1.56 0.00 0.00 34.95 30.61 2a2y s ARG 84 CO 0.01 -0.48 0.61 -1.17 -0.81 0.00 0.00 175.30 173.46 2a2y s LEU 85 N -4.48 -0.43 -0.01 -0.88 1.98 -0.23 -4.49 118.68 110.14 2a2y s LEU 85 Ca 0.57 1.26 0.06 0.00 -2.89 0.00 0.00 54.13 53.13 2a2y s LEU 85 Cb -0.09 2.10 -0.02 0.00 0.66 0.00 0.00 46.19 48.85 2a2y s LEU 85 CO 0.35 -0.22 -0.19 -0.75 -1.89 0.00 0.00 176.35 173.66 2a2y s LYS 86 N 0.60 1.47 -0.14 1.98 2.36 0.74 -1.76 119.74 124.99 2a2y s LYS 86 Ca -0.02 -0.69 -0.09 0.00 -2.55 0.00 0.00 55.97 52.62 2a2y s LYS 86 Cb -0.05 -1.44 -0.04 0.00 -1.05 0.00 0.00 37.83 35.25 2a2y s LYS 86 CO -0.03 0.39 0.16 1.03 1.55 0.00 0.00 175.35 178.45 2a2y s ARG 87 N -0.53 3.77 0.00 4.03 1.81 -0.31 0.31 118.95 128.03 2a2y s ARG 87 Ca 0.07 -0.12 0.08 0.00 -1.72 0.00 0.00 55.73 54.04 2a2y s ARG 87 Cb -0.07 -3.28 0.05 0.00 -0.45 0.00 0.00 34.95 31.19 2a2y s ARG 87 CO -0.00 0.58 0.70 0.28 -0.68 0.00 0.00 175.30 176.18 2a2y n VAL 88 N 2.59 0.00 -0.58 3.52 0.31 -1.26 -4.91 118.33 118.00 2a2y n VAL 88 Ca -0.18 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 2a2y n VAL 88 Cb 0.54 1.15 0.00 0.00 -0.91 0.00 0.00 33.84 34.61 2a2y n VAL 88 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51