#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a2y s THR 2 N 0.00 4.70 0.15 2.03 -4.23 -1.26 -4.59 115.64 112.44 2a2y s THR 2 Ca 0.00 0.43 0.00 0.00 -1.18 0.00 0.00 61.69 60.94 2a2y s THR 2 Cb 0.00 -4.28 0.00 0.00 1.34 0.00 0.00 72.50 69.56 2a2y s THR 2 CO 0.00 -0.65 0.00 1.21 -0.54 0.00 0.00 174.62 174.64 2a2y n GLU 3 N 6.57 0.00 -2.75 3.99 2.13 -1.26 -4.88 120.64 124.45 2a2y n GLU 3 Ca 0.01 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.74 2a2y n GLU 3 Cb 0.48 0.00 0.09 0.00 0.27 0.00 0.00 31.44 32.28 2a2y n GLU 3 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2a2y n LYS 4 N -2.77 1.06 -2.31 5.31 2.85 -1.26 -2.56 118.16 118.48 2a2y n LYS 4 Ca 0.00 -2.00 -0.02 0.00 -1.05 0.00 0.00 58.31 55.23 2a2y n LYS 4 Cb 0.00 -0.85 0.00 0.00 -0.65 0.00 0.00 35.03 33.53 2a2y n LYS 4 CO 0.00 0.00 0.00 1.47 -0.05 0.00 0.00 177.40 178.82 2a2y n LEU 5 N 0.14 -0.84 -4.57 -5.58 -0.00 -1.25 -4.50 117.00 100.40 2a2y n LEU 5 Ca 0.05 -1.70 -0.42 0.00 -0.00 0.00 0.00 56.01 53.94 2a2y n LEU 5 Cb 0.73 0.82 -0.07 0.00 -0.00 0.00 0.00 43.42 44.90 2a2y n LEU 5 CO 0.03 1.16 0.36 0.21 -0.00 0.00 0.00 177.39 179.14 2a2y s ASN 6 N -0.22 6.41 -0.30 1.45 2.47 -1.12 -4.98 114.94 118.65 2a2y s ASN 6 Ca 0.03 0.15 -0.18 0.00 0.42 0.00 0.00 52.86 53.29 2a2y s ASN 6 Cb 0.08 -2.32 -0.02 0.00 -1.45 0.00 0.00 41.25 37.55 2a2y s ASN 6 CO -0.02 -0.56 0.51 -1.83 -3.72 0.00 0.00 177.10 171.49 2a2y s GLU 7 N 2.63 3.86 0.01 0.43 -1.05 -1.26 -2.06 118.70 121.27 2a2y s GLU 7 Ca 0.23 0.09 0.08 0.00 -0.15 0.00 0.00 54.97 55.22 2a2y s GLU 7 Cb -0.15 -3.73 -0.03 0.00 -0.44 0.00 0.00 34.13 29.79 2a2y s GLU 7 CO 0.14 -0.49 -0.24 0.42 0.95 0.00 0.00 175.26 176.04 2a2y s ILE 8 N 2.36 2.26 -0.16 1.83 1.01 0.18 -4.89 121.20 123.79 2a2y s ILE 8 Ca 0.20 -1.20 -0.04 0.00 0.00 0.00 0.00 60.65 59.61 2a2y s ILE 8 Cb -0.15 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 2a2y s ILE 8 CO 0.11 0.47 -0.03 -0.69 0.00 0.00 0.00 174.94 174.80 2a2y s VAL 9 N -0.73 3.89 0.52 2.92 1.01 -1.26 -1.68 120.40 125.06 2a2y s VAL 9 Ca 0.11 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 2a2y s VAL 9 Cb -0.10 -2.72 -0.00 0.00 0.00 0.00 0.00 36.38 33.56 2a2y s VAL 9 CO 0.01 0.48 0.79 0.54 0.00 0.00 0.00 175.10 176.92 2a2y s VAL 10 N 0.50 3.93 0.26 2.92 0.11 -0.20 -4.85 120.40 123.08 2a2y s VAL 10 Ca -0.03 -0.18 0.02 0.00 -2.93 0.00 0.00 61.98 58.86 2a2y s VAL 10 Cb -0.14 -3.51 -0.04 0.00 -1.53 0.00 0.00 36.38 31.16 2a2y s VAL 10 CO 0.03 -0.45 0.18 -0.13 -3.33 0.00 0.00 175.10 171.39 2a2y s ARG 11 N -4.78 1.45 0.00 1.54 0.52 -1.26 -4.70 118.95 111.72 2a2y s ARG 11 Ca 0.51 -1.81 0.24 0.00 -0.52 0.00 0.00 55.73 54.15 2a2y s ARG 11 Cb -0.10 0.17 0.34 0.00 0.52 0.00 0.00 34.95 35.89 2a2y s ARG 11 CO 0.42 -0.47 1.30 0.36 0.02 0.00 0.00 175.30 176.93 2a2y n LYS 12 N -0.45 0.17 0.00 3.54 2.85 -1.26 -3.56 118.16 119.45 2a2y n LYS 12 Ca 0.03 -0.12 0.14 0.00 -1.05 0.00 0.00 58.31 57.31 2a2y n LYS 12 Cb 0.65 -1.50 0.46 0.00 -0.65 0.00 0.00 35.03 33.99 2a2y n LYS 12 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2a2y n THR 13 N -1.31 0.00 -5.13 0.58 -2.24 -1.26 -4.77 114.28 100.14 2a2y n THR 13 Ca 0.06 -0.27 -0.32 0.00 -2.27 0.00 0.00 64.05 61.25 2a2y n THR 13 Cb 0.34 0.62 -0.16 0.00 -2.10 0.00 0.00 70.33 69.04 2a2y n THR 13 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2a2y s LYS 14 N -2.03 2.77 1.15 -0.78 3.01 -1.23 -5.12 119.74 117.50 2a2y s LYS 14 Ca 0.36 -0.84 -0.17 0.00 -1.01 0.00 0.00 55.97 54.31 2a2y s LYS 14 Cb 0.21 -2.29 0.26 0.00 -1.01 0.00 0.00 37.83 35.00 2a2y s LYS 14 CO 0.34 0.35 1.11 -0.80 0.51 0.00 0.00 175.35 176.86 2a2y s ASN 15 N -0.07 1.36 0.31 2.83 0.01 -1.26 -4.74 114.94 113.39 2a2y s ASN 15 Ca -0.05 0.77 0.08 0.00 -0.71 0.00 0.00 52.86 52.94 2a2y s ASN 15 Cb -0.14 -1.12 0.52 0.00 0.41 0.00 0.00 41.25 40.91 2a2y s ASN 15 CO 0.04 -3.87 1.73 -0.37 -1.51 0.00 0.00 177.10 173.13 2a2y h VAL 16 N -2.40 1.30 -0.01 1.60 -1.51 -1.94 -2.45 116.25 110.85 2a2y h VAL 16 Ca -0.48 -1.46 -0.17 0.00 -1.23 0.00 0.00 66.70 63.37 2a2y h VAL 16 Cb 1.30 1.68 -0.02 0.00 -2.13 0.00 0.00 31.29 32.12 2a2y h VAL 16 CO 0.41 0.43 -0.76 1.05 -1.23 0.00 0.00 177.57 177.47 2a2y h GLU 17 N 0.16 0.08 -0.49 5.19 4.11 -1.96 -2.30 114.58 119.36 2a2y h GLU 17 Ca 0.02 -0.08 0.05 0.00 0.07 0.00 0.00 59.36 59.41 2a2y h GLU 17 Cb 0.77 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 2a2y h GLU 17 CO 0.06 0.80 0.33 0.22 0.07 0.00 0.00 179.01 180.49 2a2y h ASP 18 N 0.05 0.42 0.41 3.06 3.58 -1.77 0.69 116.42 122.87 2a2y h ASP 18 Ca -0.02 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2a2y h ASP 18 Cb 1.33 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.29 2a2y h ASP 18 CO 0.11 0.28 -1.52 1.41 -2.88 0.00 0.00 179.24 176.64 2a2y n HIS 19 N -4.48 0.39 0.01 0.28 8.25 -1.20 -2.10 115.22 116.38 2a2y n HIS 19 Ca 0.06 0.11 -0.12 0.00 -0.26 0.00 0.00 57.72 57.52 2a2y n HIS 19 Cb 0.20 -0.66 0.01 0.00 1.12 0.00 0.00 29.99 30.66 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 1.33 0.08 1.59 3.04 -0.72 0.64 116.25 122.20 2a2y h VAL 20 Ca 0.00 -1.97 -0.00 0.00 -1.01 0.00 0.00 66.70 63.72 2a2y h VAL 20 Cb 0.97 1.94 0.00 0.00 -2.01 0.00 0.00 31.29 32.19 2a2y h VAL 20 CO 0.00 0.61 -0.04 -0.07 -1.01 0.00 0.00 177.57 177.06 2a2y h LEU 21 N 0.41 -0.09 -1.14 3.16 3.38 0.27 -0.12 115.31 121.18 2a2y h LEU 21 Ca -0.02 -0.35 -0.08 0.00 0.09 0.00 0.00 57.88 57.51 2a2y h LEU 21 Cb 1.25 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 2a2y h LEU 21 CO 0.13 0.32 -0.32 -0.78 0.09 0.00 0.00 178.44 177.88 2a2y h ASP 22 N -0.51 0.19 0.15 -0.43 1.82 -1.36 -1.76 116.42 114.51 2a2y h ASP 22 Ca -0.01 -0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.56 2a2y h ASP 22 Cb 0.44 -0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.40 2a2y h ASP 22 CO 0.02 0.50 -0.07 0.58 -1.61 0.00 0.00 179.24 178.66 2a2y h VAL 23 N 0.16 0.99 0.00 2.25 2.07 0.39 -2.23 116.25 119.89 2a2y h VAL 23 Ca 0.02 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 2a2y h VAL 23 Cb 0.65 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2a2y h VAL 23 CO 0.05 0.19 -0.02 -0.29 0.02 0.00 0.00 177.57 177.53 2a2y h ILE 24 N -0.63 0.25 -0.17 4.57 2.10 -0.93 -1.45 117.51 121.25 2a2y h ILE 24 Ca -0.02 -0.10 -0.18 0.00 1.08 0.00 0.00 64.86 65.64 2a2y h ILE 24 Cb 0.47 1.08 0.01 0.00 -1.09 0.00 0.00 36.82 37.29 2a2y h ILE 24 CO 0.03 0.02 -0.58 0.58 -1.08 0.00 0.00 178.15 177.12 2a2y h VAL 25 N 0.00 1.31 -0.37 2.19 2.07 -0.98 -2.83 116.25 117.64 2a2y h VAL 25 Ca -0.00 -1.81 -0.11 0.00 0.82 0.00 0.00 66.70 65.59 2a2y h VAL 25 Cb 0.08 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 2a2y h VAL 25 CO 0.00 0.57 -0.23 -0.07 0.02 0.00 0.00 177.57 177.86 2a2y h LEU 26 N 0.39 0.76 -2.05 2.57 3.38 -0.68 -1.66 115.31 118.02 2a2y h LEU 26 Ca -0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 2a2y h LEU 26 Cb 1.20 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 2a2y h LEU 26 CO 0.12 0.97 -0.05 0.15 0.09 0.00 0.00 178.44 179.73 2a2y h PHE 27 N 0.65 0.00 0.00 1.13 3.57 -1.43 0.24 116.94 121.10 2a2y h PHE 27 Ca 0.09 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 2a2y h PHE 27 Cb 0.74 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.48 2a2y h PHE 27 CO 0.04 0.05 -0.02 -0.97 -2.23 0.00 0.00 178.31 175.17 2a2y h ASN 28 N 0.00 0.00 0.47 0.41 -0.00 -1.04 0.29 115.58 115.71 2a2y h ASN 28 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2a2y h ASN 28 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.41 2a2y h ASN 28 CO 0.01 0.02 -0.46 0.00 -0.00 0.00 0.00 177.43 176.99 2a2y n GLN 29 N -3.89 0.11 0.00 6.67 6.02 0.79 -4.89 117.38 122.18 2a2y n GLN 29 Ca -0.03 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 2a2y n GLN 29 Cb 0.10 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.86 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 1.48 1.47 3.59 1.08 0.00 0.10 -4.92 105.19 107.99 2a2y n GLY 30 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.00 3.85 -0.13 -0.61 -1.09 -0.96 -4.37 121.20 115.90 2a2y s ILE 31 Ca 0.00 0.80 -0.01 0.00 -2.23 0.00 0.00 60.65 59.21 2a2y s ILE 31 Cb 0.00 -4.32 -0.24 0.00 -1.58 0.00 0.00 42.46 36.32 2a2y s ILE 31 CO 0.00 -0.96 0.33 0.47 -1.23 0.00 0.00 174.94 173.55 2a2y n ASP 32 N 9.22 1.78 -4.86 3.58 9.92 -1.06 -4.02 116.55 131.11 2a2y n ASP 32 Ca 0.15 0.19 -0.37 0.00 -0.53 0.00 0.00 54.79 54.22 2a2y n ASP 32 Cb 0.49 -0.57 -0.06 0.00 -0.64 0.00 0.00 41.12 40.34 2a2y n ASP 32 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2a2y s GLU 33 N -2.56 3.67 -0.15 -1.24 0.41 -1.26 -1.23 118.70 116.34 2a2y s GLU 33 Ca -0.20 0.12 -0.11 0.00 -0.41 0.00 0.00 54.97 54.36 2a2y s GLU 33 Cb 0.07 -3.21 0.04 0.00 -1.78 0.00 0.00 34.13 29.26 2a2y s GLU 33 CO 0.76 0.74 0.37 0.54 -0.49 0.00 0.00 175.26 177.18 2a2y s VAL 34 N -1.04 -0.01 -0.16 2.63 0.11 -0.18 -2.78 120.40 118.98 2a2y s VAL 34 Ca 0.19 0.04 -0.00 0.00 -2.93 0.00 0.00 61.98 59.27 2a2y s VAL 34 Cb -0.14 -0.54 -0.00 0.00 -1.53 0.00 0.00 36.38 34.17 2a2y s VAL 34 CO 0.08 0.01 -0.14 -0.63 -3.33 0.00 0.00 175.10 171.09 2a2y s ILE 35 N 0.59 2.70 -0.30 7.04 1.01 -0.87 -0.44 121.20 130.93 2a2y s ILE 35 Ca -0.03 -0.75 -0.09 0.00 0.00 0.00 0.00 60.65 59.77 2a2y s ILE 35 Cb -0.05 -2.15 -0.01 0.00 0.01 0.00 0.00 42.46 40.26 2a2y s ILE 35 CO -0.04 0.51 0.14 -0.76 0.00 0.00 0.00 174.94 174.79 2a2y s LEU 36 N 0.89 3.99 -0.21 2.97 1.02 0.22 0.49 118.68 128.05 2a2y s LEU 36 Ca -0.04 -0.44 -0.09 0.00 0.02 0.00 0.00 54.13 53.59 2a2y s LEU 36 Cb -0.15 -2.00 -0.04 0.00 0.02 0.00 0.00 46.19 44.02 2a2y s LEU 36 CO -0.01 -0.16 0.10 -0.54 0.02 0.00 0.00 176.35 175.76 2a2y s LYS 37 N 1.62 3.99 0.05 1.70 -0.14 -0.68 -1.69 119.74 124.59 2a2y s LYS 37 Ca 0.05 -0.33 -0.04 0.00 -1.36 0.00 0.00 55.97 54.29 2a2y s LYS 37 Cb -0.17 -3.34 -0.02 0.00 -1.68 0.00 0.00 37.83 32.62 2a2y s LYS 37 CO 0.06 0.16 0.06 0.20 -0.76 0.00 0.00 175.35 175.06 2a2y s GLY 38 N 0.72 0.28 0.01 -3.33 0.00 -0.95 -1.04 107.32 103.01 2a2y s GLY 38 Ca 0.05 -0.83 -0.02 0.00 0.00 0.00 0.00 44.72 43.92 2a2y s GLY 38 CO 0.02 -0.96 0.03 -0.51 0.00 0.00 0.00 173.10 171.68 2a2y s THR 39 N -3.32 0.08 0.00 0.90 -4.23 -1.26 -1.10 115.64 106.71 2a2y s THR 39 Ca 0.01 -0.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.88 2a2y s THR 39 Cb 0.03 -0.27 0.00 0.00 1.34 0.00 0.00 72.50 73.61 2a2y s THR 39 CO -0.08 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.26 2a2y n GLY 40 N 1.89 0.34 0.08 3.99 0.00 -0.85 0.43 105.19 111.07 2a2y n GLY 40 Ca -0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 1.61 3.08 -1.96 -3.30 114.38 113.82 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 0.82 -0.00 0.93 -1.07 0.00 0.00 179.97 180.65 2a2y h GLU 42 N -1.00 0.00 -0.77 0.04 5.08 -0.32 -1.88 114.58 115.74 2a2y h GLU 42 Ca -0.08 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.44 2a2y h GLU 42 Cb 0.91 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.11 2a2y h GLU 42 CO -0.05 0.00 0.51 0.97 -1.00 0.00 0.00 179.01 179.45 2a2y h ILE 43 N 0.00 0.76 0.00 3.13 2.10 -1.46 0.12 117.51 122.16 2a2y h ILE 43 Ca -0.00 -0.12 -0.08 0.00 1.08 0.00 0.00 64.86 65.74 2a2y h ILE 43 Cb 0.03 0.37 -0.01 0.00 -1.09 0.00 0.00 36.82 36.12 2a2y h ILE 43 CO 0.00 0.07 -0.62 -1.28 -1.08 0.00 0.00 178.15 175.23 2a2y h SER 44 N 0.36 0.00 0.06 2.19 0.87 -1.52 -3.20 113.55 112.31 2a2y h SER 44 Ca 0.38 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.94 2a2y h SER 44 Cb 0.95 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 2a2y h SER 44 CO -0.11 0.35 -0.03 0.11 -0.53 0.00 0.00 176.83 176.61 2a2y h LYS 45 N 0.00 -0.08 -0.72 2.24 1.79 -0.87 -1.26 116.57 117.68 2a2y h LYS 45 Ca -0.03 0.01 0.20 0.00 -2.18 0.00 0.00 60.65 58.64 2a2y h LYS 45 Cb 1.29 0.02 -0.13 0.00 -1.58 0.00 0.00 32.23 31.83 2a2y h LYS 45 CO 0.04 -0.05 0.02 0.00 -1.08 0.00 0.00 179.45 178.38 2a2y n ALA 46 N -2.06 0.37 0.14 3.86 0.00 -0.83 -0.30 120.51 121.70 2a2y n ALA 46 Ca -0.01 0.77 -0.06 0.00 0.00 0.00 0.00 53.44 54.14 2a2y n ALA 46 Cb 0.03 -0.56 -0.03 0.00 0.00 0.00 0.00 19.45 18.89 2a2y n ALA 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2a2y h VAL 47 N 0.00 0.00 -0.89 0.00 2.07 -1.53 -2.49 116.25 113.42 2a2y h VAL 47 Ca 0.44 -0.06 0.24 0.00 0.82 0.00 0.00 66.70 68.14 2a2y h VAL 47 Cb 0.91 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.53 2a2y h VAL 47 CO -0.67 0.00 0.20 -0.78 0.02 0.00 0.00 177.57 176.34 2a2y h ASP 48 N -0.43 -0.08 -0.23 0.57 1.82 0.29 0.25 116.42 118.63 2a2y h ASP 48 Ca -0.04 0.21 0.06 0.00 -0.39 0.00 0.00 57.03 56.87 2a2y h ASP 48 Cb 0.28 0.30 -0.07 0.00 0.68 0.00 0.00 39.33 40.52 2a2y h ASP 48 CO 0.06 -0.19 -0.34 0.58 -1.61 0.00 0.00 179.24 177.74 2a2y h VAL 49 N 0.17 0.24 0.83 2.25 2.07 -0.57 0.81 116.25 122.04 2a2y h VAL 49 Ca 0.56 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 68.04 2a2y h VAL 49 Cb 1.13 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2a2y h VAL 49 CO -0.69 0.00 -0.47 0.22 0.02 0.00 0.00 177.57 176.64 2a2y h TYR 50 N -0.36 -1.25 -0.42 1.57 3.20 -0.06 1.96 116.97 121.61 2a2y h TYR 50 Ca 0.12 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.06 2a2y h TYR 50 Cb 0.55 0.44 -0.09 0.00 1.54 0.00 0.00 36.73 39.17 2a2y h TYR 50 CO -0.47 -0.72 -0.24 -0.97 -1.64 0.00 0.00 178.16 174.12 2a2y h ASN 51 N -1.21 -0.82 -0.78 -2.11 -0.73 -1.03 2.36 115.58 111.27 2a2y h ASN 51 Ca -0.11 0.17 -0.03 0.00 1.87 0.00 0.00 56.30 58.20 2a2y h ASN 51 Cb 0.95 0.42 -0.04 0.00 0.27 0.00 0.00 38.32 39.93 2a2y h ASN 51 CO 0.14 -0.26 0.38 0.28 -0.37 0.00 0.00 177.43 177.59 2a2y h SER 52 N -0.16 1.02 1.03 1.15 0.02 0.88 0.69 113.55 118.18 2a2y h SER 52 Ca 0.20 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 60.98 2a2y h SER 52 Cb 0.48 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 2a2y h SER 52 CO -0.52 0.85 -0.26 0.25 -1.14 0.00 0.00 176.83 176.01 2a2y h LEU 53 N 1.12 0.00 0.24 5.07 5.85 0.68 -2.86 115.31 125.40 2a2y h LEU 53 Ca 0.27 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.65 2a2y h LEU 53 Cb 0.10 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.17 2a2y h LEU 53 CO -0.04 0.26 -1.55 0.50 -0.34 0.00 0.00 178.44 177.28 2a2y h LYS 54 N 0.00 0.51 0.00 1.25 3.11 0.51 -2.92 116.57 119.02 2a2y h LYS 54 Ca -0.00 -0.86 0.00 0.00 -2.81 0.00 0.00 60.65 56.97 2a2y h LYS 54 Cb 0.85 0.32 0.00 0.00 -1.00 0.00 0.00 32.23 32.40 2a2y h LYS 54 CO 0.03 1.41 0.27 -0.25 -2.81 0.00 0.00 179.45 178.10 2a2y n ASP 55 N -3.68 0.34 0.10 4.20 8.00 0.23 -0.57 116.55 125.17 2a2y n ASP 55 Ca -0.19 0.56 -0.12 0.00 0.71 0.00 0.00 54.79 55.75 2a2y n ASP 55 Cb 1.10 -0.52 -0.05 0.00 -0.02 0.00 0.00 41.12 41.63 2a2y n ASP 55 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2a2y h ARG 56 N 0.00 -0.37 0.00 -1.24 2.47 -1.39 -3.42 114.38 110.42 2a2y h ARG 56 Ca 0.00 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2a2y h ARG 56 Cb 0.53 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 2a2y h ARG 56 CO 0.00 -0.25 0.00 -0.11 0.56 0.00 0.00 179.97 180.17 2a2y n LEU 57 N -5.34 0.00 0.00 3.04 7.94 -0.51 -5.01 117.00 117.12 2a2y n LEU 57 Ca -0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 2a2y n LEU 57 Cb 0.25 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.20 2a2y n LEU 57 CO 0.26 0.14 0.00 0.61 -1.11 0.00 0.00 177.39 177.29 2a2y n GLY 58 N 0.00 0.34 0.21 -3.96 0.00 0.27 -4.18 105.19 97.88 2a2y n GLY 58 Ca 0.00 -0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.83 -0.32 1.61 3.58 -1.95 -3.05 116.42 117.13 2a2y h ASP 59 Ca 0.00 -0.57 -0.11 0.00 0.42 0.00 0.00 57.03 56.77 2a2y h ASP 59 Cb 0.00 -0.24 -0.07 0.00 1.72 0.00 0.00 39.33 40.74 2a2y h ASP 59 CO 0.00 1.25 0.14 0.61 -2.88 0.00 0.00 179.24 178.36 2a2y n GLY 60 N 0.47 2.57 3.44 -0.78 0.00 -1.26 -4.23 105.19 105.41 2a2y n GLY 60 Ca -0.06 -0.40 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.50 -0.01 0.04 1.61 1.01 -1.15 -3.78 120.40 116.62 2a2y s VAL 61 Ca 0.22 0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 2a2y s VAL 61 Cb 0.18 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 2a2y s VAL 61 CO 0.05 0.01 -0.03 -1.10 0.00 0.00 0.00 175.10 174.04 2a2y s GLN 62 N 1.07 0.52 -0.30 2.72 -1.52 1.00 -4.68 119.66 118.47 2a2y s GLN 62 Ca -0.06 -1.02 -0.14 0.00 -1.95 0.00 0.00 55.36 52.18 2a2y s GLN 62 Cb -0.06 0.18 -0.03 0.00 -0.22 0.00 0.00 33.01 32.88 2a2y s GLN 62 CO -0.10 -0.09 0.33 -1.17 -0.25 0.00 0.00 175.29 174.01 2a2y s LEU 63 N -2.46 4.17 -0.01 2.90 0.20 -1.26 0.28 118.68 122.49 2a2y s LEU 63 Ca -0.00 0.05 0.13 0.00 0.69 0.00 0.00 54.13 55.00 2a2y s LEU 63 Cb 0.02 -2.33 -0.18 0.00 -0.43 0.00 0.00 46.19 43.27 2a2y s LEU 63 CO -0.07 -0.21 0.35 1.33 -0.29 0.00 0.00 176.35 177.46 2a2y n VAL 64 N 5.15 0.00 -3.61 1.68 0.24 -1.26 -4.85 118.33 115.67 2a2y n VAL 64 Ca -0.10 -0.27 -0.05 0.00 -2.04 0.00 0.00 64.34 61.89 2a2y n VAL 64 Cb 0.51 0.44 -0.04 0.00 -1.47 0.00 0.00 33.84 33.27 2a2y n VAL 64 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2a2y s ASN 65 N -3.09 -0.14 -0.27 -1.34 0.02 -1.26 -5.00 114.94 103.85 2a2y s ASN 65 Ca -0.02 0.11 -0.19 0.00 -1.02 0.00 0.00 52.86 51.74 2a2y s ASN 65 Cb 0.08 0.13 0.07 0.00 0.02 0.00 0.00 41.25 41.56 2a2y s ASN 65 CO 0.52 -0.16 0.68 -0.69 0.02 0.00 0.00 177.10 177.47 2a2y s VAL 66 N -1.50 -0.00 0.12 1.60 1.01 -1.26 0.58 120.40 120.94 2a2y s VAL 66 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 61.98 62.00 2a2y s VAL 66 Cb -0.01 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 2a2y s VAL 66 CO -0.05 0.00 0.15 -1.58 0.00 0.00 0.00 175.10 173.62 2a2y s GLN 67 N 1.15 0.92 0.08 2.72 0.74 0.33 -4.98 119.66 120.63 2a2y s GLN 67 Ca -0.06 -1.20 0.01 0.00 0.05 0.00 0.00 55.36 54.16 2a2y s GLN 67 Cb -0.05 0.30 -0.04 0.00 1.10 0.00 0.00 33.01 34.33 2a2y s GLN 67 CO -0.12 -0.29 -0.06 0.95 -0.55 0.00 0.00 175.29 175.22 2a2y s THR 68 N -3.95 0.58 -0.26 -0.34 -4.23 -1.26 0.27 115.64 106.43 2a2y s THR 68 Ca 0.14 -1.67 -0.27 0.00 -1.18 0.00 0.00 61.69 58.71 2a2y s THR 68 Cb 0.06 -1.35 0.17 0.00 1.34 0.00 0.00 72.50 72.72 2a2y s THR 68 CO -0.04 -0.75 1.26 -0.83 -0.54 0.00 0.00 174.62 173.72 2a2y s GLY 69 N -2.61 0.07 0.34 3.99 0.00 -0.26 -4.93 107.32 103.91 2a2y s GLY 69 Ca 0.05 2.88 0.01 0.00 0.00 0.00 0.00 44.72 47.65 2a2y s GLY 69 CO -0.04 1.48 0.53 -1.35 0.00 0.00 0.00 173.10 173.72 2a2y s SER 70 N -0.49 6.29 0.33 1.64 1.04 -1.26 -1.00 113.70 120.24 2a2y s SER 70 Ca 0.05 0.40 -0.18 0.00 0.48 0.00 0.00 55.95 56.71 2a2y s SER 70 Cb -0.03 -2.00 0.05 0.00 0.10 0.00 0.00 66.02 64.14 2a2y s SER 70 CO -0.08 -0.28 0.81 -1.83 0.98 0.00 0.00 173.24 172.84 2a2y s GLU 71 N -4.28 2.01 -0.08 4.02 -1.05 0.72 -4.88 118.70 115.15 2a2y s GLU 71 Ca 0.39 -1.25 -0.20 0.00 -0.15 0.00 0.00 54.97 53.76 2a2y s GLU 71 Cb -0.10 0.59 -0.04 0.00 -0.44 0.00 0.00 34.13 34.14 2a2y s GLU 71 CO 0.35 -0.94 0.54 0.08 0.95 0.00 0.00 175.26 176.25 2a2y s VAL 72 N -2.67 5.10 -0.27 1.83 1.01 -1.26 0.33 120.40 124.48 2a2y s VAL 72 Ca 0.15 1.11 -0.01 0.00 0.00 0.00 0.00 61.98 63.23 2a2y s VAL 72 Cb -0.05 -3.88 0.14 0.00 0.00 0.00 0.00 36.38 32.59 2a2y s VAL 72 CO 0.09 0.34 0.33 -0.60 0.00 0.00 0.00 175.10 175.26 2a2y s ARG 73 N 0.43 0.33 0.00 2.72 3.52 0.88 -4.88 118.95 121.96 2a2y s ARG 73 Ca 0.29 0.08 0.00 0.00 -0.13 0.00 0.00 55.73 55.97 2a2y s ARG 73 Cb -0.16 -0.62 0.00 0.00 -1.56 0.00 0.00 34.95 32.61 2a2y s ARG 73 CO 0.13 -0.92 0.00 -3.47 -0.81 0.00 0.00 175.30 170.24 2a2y n ASP 74 N 5.33 -1.06 -2.08 -2.12 -0.08 -1.26 -3.96 116.55 111.32 2a2y n ASP 74 Ca -0.02 0.00 -0.16 0.00 -1.51 0.00 0.00 54.79 53.10 2a2y n ASP 74 Cb 0.48 -0.32 0.02 0.00 2.34 0.00 0.00 41.12 43.64 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 -0.56 -2.83 -3.52 -0.67 3.00 -1.26 -4.99 116.66 105.84 2a2y n ARG 75 Ca 0.00 0.69 -0.14 0.00 -0.01 0.00 0.00 57.85 58.38 2a2y n ARG 75 Cb 0.32 -5.03 -0.04 0.00 0.00 0.00 0.00 32.46 27.71 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 -5.18 1.12 0.09 5.56 3.52 -1.25 -5.14 118.95 117.66 2a2y s ARG 76 Ca 0.15 -0.19 -0.23 0.00 -0.13 0.00 0.00 55.73 55.33 2a2y s ARG 76 Cb -0.07 0.51 -0.07 0.00 -1.56 0.00 0.00 34.95 33.77 2a2y s ARG 76 CO 0.19 -0.42 0.70 0.50 -0.81 0.00 0.00 175.30 175.46 2a2y s ARG 77 N -2.55 4.43 0.05 5.12 3.52 -1.26 -0.08 118.95 128.18 2a2y s ARG 77 Ca -0.05 0.99 -0.04 0.00 -0.13 0.00 0.00 55.73 56.50 2a2y s ARG 77 Cb -0.01 -3.29 -0.02 0.00 -1.56 0.00 0.00 34.95 30.07 2a2y s ARG 77 CO -0.02 0.49 0.05 -1.50 -0.81 0.00 0.00 175.30 173.50 2a2y s ILE 78 N -0.74 0.17 0.33 4.11 2.07 0.15 -4.89 121.20 122.40 2a2y s ILE 78 Ca 0.34 -1.36 -0.12 0.00 -1.41 0.00 0.00 60.65 58.10 2a2y s ILE 78 Cb -0.21 -1.12 -0.08 0.00 0.13 0.00 0.00 42.46 41.18 2a2y s ILE 78 CO 0.23 -0.75 0.71 -0.55 -1.91 0.00 0.00 174.94 172.66 2a2y s SER 79 N -2.45 6.66 -0.01 4.50 0.15 -1.26 -0.20 113.70 121.08 2a2y s SER 79 Ca -0.00 1.15 0.02 0.00 0.70 0.00 0.00 55.95 57.81 2a2y s SER 79 Cb 0.02 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 62.01 2a2y s SER 79 CO -0.07 -0.24 -0.05 -0.47 1.20 0.00 0.00 173.24 173.61 2a2y s TYR 80 N -2.07 0.53 -0.11 3.44 6.14 -0.17 -2.01 117.35 123.09 2a2y s TYR 80 Ca 0.52 -0.11 0.02 0.00 0.64 0.00 0.00 57.07 58.14 2a2y s TYR 80 Cb -0.10 -0.39 -0.01 0.00 0.42 0.00 0.00 41.96 41.87 2a2y s TYR 80 CO 0.23 -0.05 -0.18 -1.50 0.64 0.00 0.00 175.55 174.69 2a2y s ILE 81 N 0.16 2.62 -0.22 3.14 2.07 -0.26 -1.10 121.20 127.60 2a2y s ILE 81 Ca -0.02 -0.82 -0.05 0.00 -1.41 0.00 0.00 60.65 58.35 2a2y s ILE 81 Cb -0.06 -2.06 -0.01 0.00 0.13 0.00 0.00 42.46 40.46 2a2y s ILE 81 CO -0.00 0.54 -0.01 -0.76 -1.91 0.00 0.00 174.94 172.80 2a2y s LEU 82 N 0.30 3.06 -0.08 8.50 1.43 0.75 -2.24 118.68 130.41 2a2y s LEU 82 Ca -0.14 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 52.66 2a2y s LEU 82 Cb -0.17 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.28 2a2y s LEU 82 CO 0.07 -0.01 -0.13 -0.22 0.23 0.00 0.00 176.35 176.28 2a2y s LEU 83 N 1.46 1.65 0.44 1.79 0.20 -0.68 0.12 118.68 123.67 2a2y s LEU 83 Ca 0.05 -0.34 0.08 0.00 0.69 0.00 0.00 54.13 54.61 2a2y s LEU 83 Cb -0.14 -0.92 0.02 0.00 -0.43 0.00 0.00 46.19 44.71 2a2y s LEU 83 CO -0.01 0.03 0.57 -0.60 -0.29 0.00 0.00 176.35 176.05 2a2y s ARG 84 N 0.79 2.70 -0.24 1.98 3.52 0.20 0.69 118.95 128.58 2a2y s ARG 84 Ca -0.12 -1.36 -0.26 0.00 -0.13 0.00 0.00 55.73 53.86 2a2y s ARG 84 Cb -0.16 -2.67 0.09 0.00 -1.56 0.00 0.00 34.95 30.65 2a2y s ARG 84 CO 0.02 -0.35 0.81 -0.51 -0.81 0.00 0.00 175.30 174.46 2a2y s LEU 85 N -4.36 -0.64 0.08 -0.88 1.43 0.42 -4.42 118.68 110.31 2a2y s LEU 85 Ca 0.55 1.14 0.07 0.00 -1.03 0.00 0.00 54.13 54.86 2a2y s LEU 85 Cb -0.08 2.30 -0.03 0.00 0.03 0.00 0.00 46.19 48.40 2a2y s LEU 85 CO 0.33 -0.28 -0.19 -0.75 0.23 0.00 0.00 176.35 175.69 2a2y s LYS 86 N 0.04 1.07 -0.08 1.70 2.36 0.80 -1.01 119.74 124.62 2a2y s LYS 86 Ca -0.01 -1.07 -0.01 0.00 -2.55 0.00 0.00 55.97 52.34 2a2y s LYS 86 Cb -0.04 -1.24 -0.03 0.00 -1.05 0.00 0.00 37.83 35.46 2a2y s LYS 86 CO 0.00 0.29 -0.02 1.03 1.55 0.00 0.00 175.35 178.21 2a2y s ARG 87 N -1.74 2.90 0.00 4.03 1.81 -0.37 0.33 118.95 125.92 2a2y s ARG 87 Ca 0.04 -0.45 0.06 0.00 -1.72 0.00 0.00 55.73 53.66 2a2y s ARG 87 Cb -0.10 -2.73 -0.02 0.00 -0.45 0.00 0.00 34.95 31.66 2a2y s ARG 87 CO 0.03 0.69 0.41 0.28 -0.68 0.00 0.00 175.30 176.03 2a2y n VAL 88 N 2.17 0.00 -1.57 3.52 0.31 -1.25 -4.90 118.33 116.61 2a2y n VAL 88 Ca -0.18 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.72 2a2y n VAL 88 Cb 0.53 1.05 0.00 0.00 -0.91 0.00 0.00 33.84 34.51 2a2y n VAL 88 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51