#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 0.00 0.00 2.03 -2.24 -1.26 -4.91 114.28 107.90 2a2y n THR 2 Ca 0.00 0.39 0.00 0.00 -2.27 0.00 0.00 64.05 62.17 2a2y n THR 2 Cb 0.00 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 66.87 2a2y n THR 2 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2a2y n GLU 3 N -2.18 0.00 -2.74 -0.78 2.13 -1.26 -4.27 120.64 111.54 2a2y n GLU 3 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 2a2y n GLU 3 Cb 0.00 -0.47 0.09 0.00 0.27 0.00 0.00 31.44 31.33 2a2y n GLU 3 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2a2y n LYS 4 N 0.00 1.13 -3.51 5.31 5.02 -1.26 -3.00 118.16 121.84 2a2y n LYS 4 Ca 0.00 -2.15 -0.16 0.00 -2.02 0.00 0.00 58.31 53.98 2a2y n LYS 4 Cb 0.00 -0.59 -0.05 0.00 -0.02 0.00 0.00 35.03 34.37 2a2y n LYS 4 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2a2y s LEU 5 N -2.88 -0.60 0.00 -0.35 0.20 -1.25 -4.29 118.68 109.51 2a2y s LEU 5 Ca 0.24 0.56 0.00 0.00 0.69 0.00 0.00 54.13 55.62 2a2y s LEU 5 Cb 0.37 2.45 0.00 0.00 -0.43 0.00 0.00 46.19 48.58 2a2y s LEU 5 CO -0.06 -0.62 0.00 -3.20 -0.29 0.00 0.00 176.35 172.18 2a2y n ASN 6 N 0.68 0.00 -4.55 3.68 2.85 -1.08 -4.82 115.26 112.03 2a2y n ASN 6 Ca -0.17 0.00 -0.42 0.00 -0.11 0.00 0.00 54.58 53.87 2a2y n ASN 6 Cb 0.58 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.54 2a2y n ASN 6 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 2a2y s GLU 7 N 0.00 3.53 0.09 1.20 -1.05 -1.26 -1.39 118.70 119.81 2a2y s GLU 7 Ca 0.00 -0.04 0.08 0.00 -0.15 0.00 0.00 54.97 54.86 2a2y s GLU 7 Cb 0.00 -3.88 -0.03 0.00 -0.44 0.00 0.00 34.13 29.78 2a2y s GLU 7 CO 0.00 -0.92 -0.21 0.42 0.95 0.00 0.00 175.26 175.50 2a2y s ILE 8 N 2.97 1.69 -0.14 1.83 -1.09 0.89 -4.92 121.20 122.43 2a2y s ILE 8 Ca 0.27 -1.46 -0.02 0.00 -2.23 0.00 0.00 60.65 57.21 2a2y s ILE 8 Cb -0.13 -1.52 -0.02 0.00 -1.58 0.00 0.00 42.46 39.20 2a2y s ILE 8 CO 0.18 -0.01 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.11 2a2y s VAL 9 N -1.08 3.41 0.52 2.92 1.01 -1.26 -1.81 120.40 124.10 2a2y s VAL 9 Ca 0.06 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.47 2a2y s VAL 9 Cb -0.10 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 2a2y s VAL 9 CO 0.04 0.51 0.81 0.54 0.00 0.00 0.00 175.10 176.99 2a2y s VAL 10 N 0.37 4.20 0.25 2.92 0.11 -0.53 -4.82 120.40 122.90 2a2y s VAL 10 Ca -0.08 -0.04 0.03 0.00 -2.93 0.00 0.00 61.98 58.96 2a2y s VAL 10 Cb -0.15 -3.61 -0.05 0.00 -1.53 0.00 0.00 36.38 31.03 2a2y s VAL 10 CO 0.04 -0.58 0.03 -0.13 -3.33 0.00 0.00 175.10 171.14 2a2y s ARG 11 N -4.80 1.39 0.16 1.54 0.52 -1.26 -4.74 118.95 111.75 2a2y s ARG 11 Ca 0.50 -1.72 0.24 0.00 -0.52 0.00 0.00 55.73 54.23 2a2y s ARG 11 Cb -0.10 -0.55 0.29 0.00 0.52 0.00 0.00 34.95 35.10 2a2y s ARG 11 CO 0.43 -0.16 1.29 1.57 0.02 0.00 0.00 175.30 178.46 2a2y h LYS 12 N 2.41 0.00 0.07 3.54 2.10 -1.90 -3.36 116.57 119.43 2a2y h LYS 12 Ca -0.39 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.26 2a2y h LYS 12 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 2a2y h LYS 12 CO 0.64 0.00 -0.03 1.79 -2.00 0.00 0.00 179.45 179.85 2a2y h THR 13 N 0.00 0.00 -3.74 0.07 1.35 -1.99 -3.45 112.91 105.15 2a2y h THR 13 Ca 0.00 -0.18 -0.56 0.00 -0.55 0.00 0.00 66.41 65.12 2a2y h THR 13 Cb 0.82 0.00 0.13 0.00 -1.73 0.00 0.00 68.15 67.36 2a2y h THR 13 CO 0.00 0.00 0.55 0.29 -0.25 0.00 0.00 175.52 176.11 2a2y n LYS 14 N -2.76 1.95 -1.29 4.72 5.02 -1.26 -4.98 118.16 119.56 2a2y n LYS 14 Ca -0.01 0.70 -0.30 0.00 -2.02 0.00 0.00 58.31 56.67 2a2y n LYS 14 Cb 0.04 -2.47 0.23 0.00 -0.02 0.00 0.00 35.03 32.80 2a2y n LYS 14 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2a2y s ASN 15 N -0.60 1.40 0.24 4.39 -0.87 -1.26 -4.72 114.94 113.53 2a2y s ASN 15 Ca 0.63 0.53 0.06 0.00 -1.57 0.00 0.00 52.86 52.51 2a2y s ASN 15 Cb -0.47 -0.71 0.26 0.00 -0.02 0.00 0.00 41.25 40.31 2a2y s ASN 15 CO 0.56 -3.81 1.56 -0.37 -2.57 0.00 0.00 177.10 172.47 2a2y h VAL 16 N -2.37 1.42 -0.01 1.60 -1.51 -1.92 -2.93 116.25 110.52 2a2y h VAL 16 Ca -0.44 -2.09 -0.15 0.00 -1.23 0.00 0.00 66.70 62.78 2a2y h VAL 16 Cb 1.28 2.10 -0.02 0.00 -2.13 0.00 0.00 31.29 32.51 2a2y h VAL 16 CO 0.34 0.61 -0.70 1.05 -1.23 0.00 0.00 177.57 177.65 2a2y h GLU 17 N 0.11 0.06 -0.05 5.19 4.11 -1.95 -2.21 114.58 119.84 2a2y h GLU 17 Ca -0.01 -0.05 -0.00 0.00 0.07 0.00 0.00 59.36 59.36 2a2y h GLU 17 Cb 1.14 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 2a2y h GLU 17 CO 0.09 0.73 0.01 0.22 0.07 0.00 0.00 179.01 180.14 2a2y h ASP 18 N 0.04 0.06 0.46 3.06 1.82 -1.86 0.55 116.42 120.55 2a2y h ASP 18 Ca -0.01 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2a2y h ASP 18 Cb 1.24 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.23 2a2y h ASP 18 CO 0.10 0.06 -1.51 1.41 -1.61 0.00 0.00 179.24 177.68 2a2y n HIS 19 N -4.51 0.45 0.04 0.28 8.25 -1.16 -2.10 115.22 116.47 2a2y n HIS 19 Ca -0.02 0.13 -0.11 0.00 -0.26 0.00 0.00 57.72 57.46 2a2y n HIS 19 Cb 0.10 -0.70 0.01 0.00 1.12 0.00 0.00 29.99 30.52 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 0.14 1.59 3.04 -0.65 0.46 116.25 122.20 2a2y h VAL 20 Ca 0.00 -2.15 -0.01 0.00 -1.01 0.00 0.00 66.70 63.53 2a2y h VAL 20 Cb 0.99 2.13 0.00 0.00 -2.01 0.00 0.00 31.29 32.40 2a2y h VAL 20 CO 0.00 0.65 -0.07 -0.07 -1.01 0.00 0.00 177.57 177.07 2a2y h LEU 21 N 0.30 -0.16 -1.56 3.16 3.38 -0.02 -0.53 115.31 119.88 2a2y h LEU 21 Ca -0.04 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.55 2a2y h LEU 21 Cb 1.34 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 2a2y h LEU 21 CO 0.13 0.28 -0.22 -0.78 0.09 0.00 0.00 178.44 177.95 2a2y h ASP 22 N -0.64 0.00 0.10 -0.43 1.82 -1.39 -2.31 116.42 113.57 2a2y h ASP 22 Ca -0.02 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.62 2a2y h ASP 22 Cb 0.48 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.49 2a2y h ASP 22 CO 0.03 0.22 -0.05 0.58 -1.61 0.00 0.00 179.24 178.41 2a2y h VAL 23 N 0.00 1.06 -0.21 2.25 2.07 0.03 -2.97 116.25 118.48 2a2y h VAL 23 Ca -0.00 -1.31 0.06 0.00 0.82 0.00 0.00 66.70 66.27 2a2y h VAL 23 Cb 0.51 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 2a2y h VAL 23 CO 0.03 0.28 0.28 -0.29 0.02 0.00 0.00 177.57 177.89 2a2y h ILE 24 N -0.82 0.35 -0.39 4.57 2.10 -0.97 0.16 117.51 122.51 2a2y h ILE 24 Ca -0.01 0.00 -0.14 0.00 1.08 0.00 0.00 64.86 65.79 2a2y h ILE 24 Cb 0.57 0.77 -0.01 0.00 -1.09 0.00 0.00 36.82 37.06 2a2y h ILE 24 CO 0.02 0.00 -0.30 0.58 -1.08 0.00 0.00 178.15 177.37 2a2y h VAL 25 N 0.00 1.28 -0.53 2.19 2.07 -1.26 -2.52 116.25 117.48 2a2y h VAL 25 Ca 0.10 -1.47 -0.08 0.00 0.82 0.00 0.00 66.70 66.07 2a2y h VAL 25 Cb 0.65 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 2a2y h VAL 25 CO -0.00 0.49 0.01 -0.07 0.02 0.00 0.00 177.57 178.02 2a2y h LEU 26 N 0.70 0.86 -1.93 2.57 3.38 -0.58 -0.89 115.31 119.43 2a2y h LEU 26 Ca 0.07 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2a2y h LEU 26 Cb 0.89 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 2a2y h LEU 26 CO 0.08 0.92 -0.08 0.15 0.09 0.00 0.00 178.44 179.60 2a2y h PHE 27 N 0.83 0.00 -0.31 1.13 3.57 -1.37 0.14 116.94 120.94 2a2y h PHE 27 Ca 0.16 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.75 2a2y h PHE 27 Cb 0.49 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 2a2y h PHE 27 CO 0.03 0.08 0.25 -0.97 -2.23 0.00 0.00 178.31 175.47 2a2y h ASN 28 N 0.00 0.00 0.88 0.41 -1.24 -0.71 0.29 115.58 115.22 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 0.16 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.21 2a2y h ASN 28 CO 0.01 0.00 -0.96 0.00 -1.29 0.00 0.00 177.43 175.19 2a2y n GLN 29 N -4.20 0.51 0.00 6.67 6.02 0.45 -4.93 117.38 121.90 2a2y n GLN 29 Ca 0.04 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 2a2y n GLN 29 Cb 0.41 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 29.91 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 1.23 1.62 3.62 1.08 0.00 0.10 -4.95 105.19 107.90 2a2y n GLY 30 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 3.99 -0.13 -0.61 -1.09 -0.99 -4.32 121.20 116.04 2a2y s ILE 31 Ca 0.00 1.09 0.06 0.00 -2.23 0.00 0.00 60.65 59.57 2a2y s ILE 31 Cb 0.00 -4.06 -0.23 0.00 -1.58 0.00 0.00 42.46 36.59 2a2y s ILE 31 CO 0.00 -0.49 0.34 0.47 -1.23 0.00 0.00 174.94 174.03 2a2y n ASP 32 N 8.07 1.28 -4.77 3.58 9.92 -1.23 -4.25 116.55 129.16 2a2y n ASP 32 Ca 0.16 0.20 -0.36 0.00 -0.53 0.00 0.00 54.79 54.26 2a2y n ASP 32 Cb 0.47 -0.18 -0.08 0.00 -0.64 0.00 0.00 41.12 40.69 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 3.64 -0.11 -1.24 2.02 -1.26 -0.97 118.70 118.22 2a2y s GLU 33 Ca -0.16 -0.23 -0.12 0.00 0.02 0.00 0.00 54.97 54.48 2a2y s GLU 33 Cb 0.07 -3.18 0.03 0.00 0.10 0.00 0.00 34.13 31.15 2a2y s GLU 33 CO 0.78 0.57 0.34 0.54 0.02 0.00 0.00 175.26 177.50 2a2y s VAL 34 N -0.44 0.01 -0.13 2.63 0.11 -0.84 -2.62 120.40 119.13 2a2y s VAL 34 Ca 0.11 -0.09 0.02 0.00 -2.93 0.00 0.00 61.98 59.09 2a2y s VAL 34 Cb -0.12 -0.51 0.01 0.00 -1.53 0.00 0.00 36.38 34.24 2a2y s VAL 34 CO 0.02 -0.05 -0.19 -0.63 -3.33 0.00 0.00 175.10 170.92 2a2y s ILE 35 N -0.11 1.81 -0.22 7.04 1.01 -0.49 -0.91 121.20 129.33 2a2y s ILE 35 Ca -0.03 -0.83 -0.07 0.00 0.00 0.00 0.00 60.65 59.73 2a2y s ILE 35 Cb -0.03 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 2a2y s ILE 35 CO 0.01 0.50 0.05 -0.76 0.00 0.00 0.00 174.94 174.74 2a2y s LEU 36 N 0.92 3.45 -0.23 2.97 1.02 0.34 -0.08 118.68 127.07 2a2y s LEU 36 Ca -0.06 -0.15 -0.11 0.00 0.02 0.00 0.00 54.13 53.83 2a2y s LEU 36 Cb -0.15 -1.90 -0.05 0.00 0.02 0.00 0.00 46.19 44.11 2a2y s LEU 36 CO -0.02 0.03 0.17 -0.75 0.02 0.00 0.00 176.35 175.79 2a2y s LYS 37 N 1.22 4.09 0.01 1.70 2.20 -0.75 -2.33 119.74 125.88 2a2y s LYS 37 Ca 0.04 -0.24 0.04 0.00 -0.36 0.00 0.00 55.97 55.45 2a2y s LYS 37 Cb -0.14 -3.52 -0.01 0.00 -1.51 0.00 0.00 37.83 32.64 2a2y s LYS 37 CO 0.03 0.09 -0.13 0.20 -0.36 0.00 0.00 175.35 175.18 2a2y s GLY 38 N 0.96 0.69 -0.04 5.54 0.00 -0.91 -1.45 107.32 112.11 2a2y s GLY 38 Ca 0.08 -0.66 0.04 0.00 0.00 0.00 0.00 44.72 44.18 2a2y s GLY 38 CO 0.04 -0.60 -0.17 -0.51 0.00 0.00 0.00 173.10 171.86 2a2y s THR 39 N -0.52 1.40 0.00 0.90 -4.23 -1.26 -0.87 115.64 111.05 2a2y s THR 39 Ca 0.03 -0.70 0.00 0.00 -1.18 0.00 0.00 61.69 59.84 2a2y s THR 39 Cb -0.06 -1.20 0.00 0.00 1.34 0.00 0.00 72.50 72.58 2a2y s THR 39 CO 0.00 0.40 0.00 0.61 -0.54 0.00 0.00 174.62 175.10 2a2y n GLY 40 N 3.11 0.33 0.07 3.99 0.00 0.27 -0.09 105.19 112.88 2a2y n GLY 40 Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.95 -3.18 114.38 113.94 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 0.06 0.93 -1.07 0.00 0.00 179.97 180.72 2a2y h GLU 42 N -1.00 0.00 -0.72 0.04 5.08 -0.78 -1.16 114.58 116.05 2a2y h GLU 42 Ca -0.00 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.50 2a2y h GLU 42 Cb 0.83 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.03 2a2y h GLU 42 CO -0.00 0.00 0.48 0.97 -1.00 0.00 0.00 179.01 179.46 2a2y h ILE 43 N 0.00 0.79 0.00 3.13 2.10 -1.43 0.16 117.51 122.27 2a2y h ILE 43 Ca 0.00 -0.12 -0.05 0.00 1.08 0.00 0.00 64.86 65.77 2a2y h ILE 43 Cb 0.13 0.40 -0.01 0.00 -1.09 0.00 0.00 36.82 36.25 2a2y h ILE 43 CO 0.00 0.07 -0.55 0.28 -1.08 0.00 0.00 178.15 176.87 2a2y h SER 44 N 0.36 0.00 0.00 2.19 0.02 -1.37 -3.29 113.55 111.46 2a2y h SER 44 Ca 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 2a2y h SER 44 Cb 0.85 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.39 2a2y h SER 44 CO -0.10 0.19 0.00 0.29 -1.14 0.00 0.00 176.83 176.07 2a2y n LYS 45 N -3.00 0.00 -0.17 3.45 4.76 0.51 -2.17 118.16 121.54 2a2y n LYS 45 Ca 0.01 0.48 0.02 0.00 -2.87 0.00 0.00 58.31 55.94 2a2y n LYS 45 Cb 0.62 -1.32 0.05 0.00 -1.84 0.00 0.00 35.03 32.54 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 -1.94 0.06 0.06 7.82 0.00 -0.79 -0.26 120.51 125.47 2a2y n ALA 46 Ca 0.00 0.50 -0.03 0.00 0.00 0.00 0.00 53.44 53.92 2a2y n ALA 46 Cb 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.78 0.00 2.07 -1.62 -1.98 116.25 113.94 2a2y h VAL 47 Ca 0.21 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.90 2a2y h VAL 47 Cb 0.32 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.96 2a2y h VAL 47 CO -0.48 0.00 -0.04 -0.78 0.02 0.00 0.00 177.57 176.29 2a2y h ASP 48 N -0.18 -0.44 -0.31 0.57 1.82 -0.12 0.64 116.42 118.41 2a2y h ASP 48 Ca -0.02 0.21 0.05 0.00 -0.39 0.00 0.00 57.03 56.89 2a2y h ASP 48 Cb 0.14 0.38 -0.08 0.00 0.68 0.00 0.00 39.33 40.46 2a2y h ASP 48 CO 0.02 -0.21 -0.50 0.58 -1.61 0.00 0.00 179.24 177.52 2a2y h VAL 49 N 0.07 0.05 0.42 2.25 2.07 -0.60 0.92 116.25 121.43 2a2y h VAL 49 Ca 0.42 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.92 2a2y h VAL 49 Cb 0.73 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2a2y h VAL 49 CO -0.71 0.00 -0.20 0.22 0.02 0.00 0.00 177.57 176.90 2a2y h TYR 50 N -0.43 -0.52 -0.43 1.57 3.20 -0.18 0.38 116.97 120.56 2a2y h TYR 50 Ca 0.09 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.02 2a2y h TYR 50 Cb 0.62 0.17 -0.06 0.00 1.54 0.00 0.00 36.73 39.00 2a2y h TYR 50 CO -0.63 -0.27 0.04 -2.95 -1.64 0.00 0.00 178.16 172.71 2a2y h ASN 51 N -0.65 -0.09 -0.62 -2.11 -1.07 -0.71 2.67 115.58 113.01 2a2y h ASN 51 Ca -0.06 0.09 0.02 0.00 0.07 0.00 0.00 56.30 56.42 2a2y h ASN 51 Cb 0.48 0.14 -0.03 0.00 -2.07 0.00 0.00 38.32 36.84 2a2y h ASN 51 CO 0.09 -0.01 0.41 0.77 0.07 0.00 0.00 177.43 178.76 2a2y h SER 52 N 0.16 0.67 1.71 6.14 4.64 0.11 2.34 113.55 129.31 2a2y h SER 52 Ca 0.21 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.48 2a2y h SER 52 Cb 0.29 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 2a2y h SER 52 CO -0.32 0.47 -0.20 0.25 -0.87 0.00 0.00 176.83 176.16 2a2y h LEU 53 N 0.78 0.00 0.16 5.97 5.85 0.41 -2.88 115.31 125.61 2a2y h LEU 53 Ca 0.24 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.75 2a2y h LEU 53 Cb -0.01 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.04 2a2y h LEU 53 CO -0.06 0.20 -0.90 0.50 -0.34 0.00 0.00 178.44 177.84 2a2y h LYS 54 N 0.00 0.33 0.00 1.25 3.11 0.76 -2.65 116.57 119.38 2a2y h LYS 54 Ca -0.00 -0.57 0.00 0.00 -2.81 0.00 0.00 60.65 57.27 2a2y h LYS 54 Cb 1.11 0.21 0.00 0.00 -1.00 0.00 0.00 32.23 32.55 2a2y h LYS 54 CO 0.03 1.27 0.09 -3.47 -2.81 0.00 0.00 179.45 174.56 2a2y n ASP 55 N -4.07 0.00 -0.02 4.20 2.03 0.76 0.32 116.55 119.76 2a2y n ASP 55 Ca -0.14 0.37 -0.13 0.00 0.52 0.00 0.00 54.79 55.41 2a2y n ASP 55 Cb 0.86 -0.37 -0.10 0.00 -0.72 0.00 0.00 41.12 40.79 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 0.06 0.00 -0.67 9.65 -1.25 -3.44 114.38 118.73 2a2y h ARG 56 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 2a2y h ARG 56 Cb 0.18 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.77 2a2y h ARG 56 CO 0.00 0.58 0.00 -0.11 2.80 0.00 0.00 179.97 183.24 2a2y n LEU 57 N -4.78 0.00 0.00 3.80 7.94 -0.20 -5.02 117.00 118.75 2a2y n LEU 57 Ca -0.08 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.82 2a2y n LEU 57 Cb 0.30 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.25 2a2y n LEU 57 CO 0.35 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.24 2a2y n GLY 58 N 0.00 0.25 0.23 -3.96 0.00 0.15 -3.89 105.19 97.97 2a2y n GLY 58 Ca 0.00 -0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 0.95 -0.12 1.61 3.58 -1.95 -2.80 116.42 117.69 2a2y h ASP 59 Ca 0.00 -0.61 -0.03 0.00 0.42 0.00 0.00 57.03 56.81 2a2y h ASP 59 Cb 0.00 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.75 2a2y h ASP 59 CO 0.00 1.41 0.04 0.61 -2.88 0.00 0.00 179.24 178.42 2a2y n GLY 60 N 0.65 1.99 3.43 -0.78 0.00 -1.25 -4.16 105.19 105.07 2a2y n GLY 60 Ca -0.07 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.03 -0.01 0.06 1.61 1.01 -1.06 -3.50 120.40 117.49 2a2y s VAL 61 Ca 0.09 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.12 2a2y s VAL 61 Cb 0.07 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 2a2y s VAL 61 CO 0.02 0.02 -0.05 -1.10 0.00 0.00 0.00 175.10 173.99 2a2y s GLN 62 N 1.30 0.63 -0.33 2.72 -1.52 1.08 -4.65 119.66 118.90 2a2y s GLN 62 Ca -0.08 -1.12 -0.17 0.00 -1.95 0.00 0.00 55.36 52.04 2a2y s GLN 62 Cb -0.06 -0.01 -0.01 0.00 -0.22 0.00 0.00 33.01 32.71 2a2y s GLN 62 CO -0.13 -0.05 0.46 -1.17 -0.25 0.00 0.00 175.29 174.15 2a2y s LEU 63 N -2.60 4.28 -0.03 2.90 0.20 -1.26 0.30 118.68 122.46 2a2y s LEU 63 Ca 0.03 0.05 0.16 0.00 0.69 0.00 0.00 54.13 55.06 2a2y s LEU 63 Cb 0.02 -2.52 -0.24 0.00 -0.43 0.00 0.00 46.19 43.02 2a2y s LEU 63 CO -0.06 -0.38 0.32 1.33 -0.29 0.00 0.00 176.35 177.27 2a2y n VAL 64 N 5.31 0.10 -3.61 1.68 0.24 -1.26 -4.83 118.33 115.96 2a2y n VAL 64 Ca -0.06 -0.39 -0.07 0.00 -2.04 0.00 0.00 64.34 61.77 2a2y n VAL 64 Cb 0.49 0.06 -0.05 0.00 -1.47 0.00 0.00 33.84 32.87 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 -3.94 -0.25 -0.24 -1.34 -0.87 -1.26 -5.00 114.94 102.03 2a2y s ASN 65 Ca -0.06 0.30 -0.17 0.00 -1.57 0.00 0.00 52.86 51.36 2a2y s ASN 65 Cb 0.10 0.25 0.07 0.00 -0.02 0.00 0.00 41.25 41.64 2a2y s ASN 65 CO 0.66 -0.21 0.62 -0.69 -2.57 0.00 0.00 177.10 174.92 2a2y s VAL 66 N -0.90 -0.00 0.08 1.60 1.01 -1.26 0.77 120.40 121.69 2a2y s VAL 66 Ca 0.03 0.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.96 2a2y s VAL 66 Cb -0.01 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 2a2y s VAL 66 CO -0.03 0.01 0.13 -1.58 0.00 0.00 0.00 175.10 173.62 2a2y s GLN 67 N 1.07 0.77 0.06 2.72 2.00 0.23 -4.98 119.66 121.52 2a2y s GLN 67 Ca -0.06 -1.03 0.02 0.00 -2.00 0.00 0.00 55.36 52.30 2a2y s GLN 67 Cb -0.05 0.30 -0.03 0.00 0.80 0.00 0.00 33.01 34.03 2a2y s GLN 67 CO -0.10 -0.22 -0.08 0.95 -0.50 0.00 0.00 175.29 175.34 2a2y s THR 68 N -3.85 0.62 -0.23 -0.34 -4.23 -1.26 0.22 115.64 106.57 2a2y s THR 68 Ca 0.05 -1.26 -0.34 0.00 -1.18 0.00 0.00 61.69 58.96 2a2y s THR 68 Cb 0.06 -0.84 0.15 0.00 1.34 0.00 0.00 72.50 73.21 2a2y s THR 68 CO -0.11 -0.46 1.26 -0.83 -0.54 0.00 0.00 174.62 173.95 2a2y s GLY 69 N -1.86 -0.19 0.27 3.99 0.00 -0.91 -4.96 107.32 103.66 2a2y s GLY 69 Ca -0.05 1.96 0.05 0.00 0.00 0.00 0.00 44.72 46.67 2a2y s GLY 69 CO -0.00 0.71 0.41 -1.35 0.00 0.00 0.00 173.10 172.86 2a2y s SER 70 N -1.83 6.23 0.33 1.64 1.04 -1.26 -1.52 113.70 118.34 2a2y s SER 70 Ca 0.09 0.05 -0.13 0.00 0.48 0.00 0.00 55.95 56.44 2a2y s SER 70 Cb -0.01 -1.73 0.03 0.00 0.10 0.00 0.00 66.02 64.41 2a2y s SER 70 CO -0.04 -0.18 0.65 -1.83 0.98 0.00 0.00 173.24 172.81 2a2y s GLU 71 N -4.06 1.97 -0.04 4.02 4.04 0.73 -4.90 118.70 120.45 2a2y s GLU 71 Ca 0.37 -1.41 -0.18 0.00 0.04 0.00 0.00 54.97 53.79 2a2y s GLU 71 Cb -0.09 0.55 -0.05 0.00 0.02 0.00 0.00 34.13 34.56 2a2y s GLU 71 CO 0.30 -0.88 0.51 0.14 -1.84 0.00 0.00 175.26 173.49 2a2y s VAL 72 N -3.05 5.03 -0.28 1.83 -7.23 -1.26 0.08 120.40 115.51 2a2y s VAL 72 Ca 0.19 1.04 -0.02 0.00 -1.81 0.00 0.00 61.98 61.39 2a2y s VAL 72 Cb -0.03 -3.84 0.12 0.00 0.56 0.00 0.00 36.38 33.19 2a2y s VAL 72 CO 0.12 0.43 0.26 -0.60 -0.31 0.00 0.00 175.10 175.00 2a2y s ARG 73 N -0.15 0.28 0.00 4.82 3.52 0.81 -4.85 118.95 123.38 2a2y s ARG 73 Ca 0.27 -0.16 0.00 0.00 -0.13 0.00 0.00 55.73 55.71 2a2y s ARG 73 Cb -0.17 -0.81 0.00 0.00 -1.56 0.00 0.00 34.95 32.41 2a2y s ARG 73 CO 0.14 -0.98 0.00 -3.47 -0.81 0.00 0.00 175.30 170.18 2a2y n ASP 74 N 5.30 -1.17 -2.16 -2.12 -0.08 -1.26 -3.85 116.55 111.22 2a2y n ASP 74 Ca -0.03 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.08 2a2y n ASP 74 Cb 0.46 -0.35 0.01 0.00 2.34 0.00 0.00 41.12 43.58 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 -0.57 -2.52 -3.74 -0.67 3.00 -1.26 -4.98 116.66 105.91 2a2y n ARG 75 Ca 0.00 0.78 -0.14 0.00 -0.01 0.00 0.00 57.85 58.48 2a2y n ARG 75 Cb 0.35 -5.23 -0.08 0.00 0.00 0.00 0.00 32.46 27.50 2a2y n ARG 75 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2a2y s ARG 76 N -5.12 0.70 0.09 5.56 1.81 -1.25 -5.14 118.95 115.60 2a2y s ARG 76 Ca 0.11 -0.14 -0.24 0.00 -1.72 0.00 0.00 55.73 53.75 2a2y s ARG 76 Cb -0.05 0.31 -0.07 0.00 -0.45 0.00 0.00 34.95 34.70 2a2y s ARG 76 CO 0.14 -0.20 0.72 0.50 -0.68 0.00 0.00 175.30 175.78 2a2y s ARG 77 N -1.29 4.45 0.05 3.54 3.52 -1.26 -0.13 118.95 127.82 2a2y s ARG 77 Ca -0.13 1.01 -0.04 0.00 -0.13 0.00 0.00 55.73 56.43 2a2y s ARG 77 Cb -0.05 -3.31 -0.02 0.00 -1.56 0.00 0.00 34.95 30.02 2a2y s ARG 77 CO 0.05 0.45 0.07 -1.50 -0.81 0.00 0.00 175.30 173.55 2a2y s ILE 78 N -0.62 0.16 0.39 4.11 2.07 0.11 -4.90 121.20 122.52 2a2y s ILE 78 Ca 0.35 -1.28 -0.08 0.00 -1.41 0.00 0.00 60.65 58.23 2a2y s ILE 78 Cb -0.21 -1.07 -0.06 0.00 0.13 0.00 0.00 42.46 41.25 2a2y s ILE 78 CO 0.23 -0.71 0.72 -0.55 -1.91 0.00 0.00 174.94 172.72 2a2y s SER 79 N -2.38 6.45 0.03 4.50 0.15 -1.26 -0.20 113.70 120.99 2a2y s SER 79 Ca -0.01 0.99 -0.09 0.00 0.70 0.00 0.00 55.95 57.53 2a2y s SER 79 Cb 0.01 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 2a2y s SER 79 CO -0.07 -0.38 0.19 -0.72 1.20 0.00 0.00 173.24 173.46 2a2y s TYR 80 N -2.37 0.04 -0.06 3.44 -0.85 -0.57 0.97 117.35 117.94 2a2y s TYR 80 Ca 0.49 -0.23 0.04 0.00 -0.52 0.00 0.00 57.07 56.85 2a2y s TYR 80 Cb -0.10 -0.03 0.00 0.00 0.38 0.00 0.00 41.96 42.21 2a2y s TYR 80 CO 0.34 -0.40 -0.17 -1.50 -1.52 0.00 0.00 175.55 172.29 2a2y s ILE 81 N -2.31 1.50 -0.24 -3.49 2.07 -0.05 -2.13 121.20 116.55 2a2y s ILE 81 Ca -0.07 -0.72 -0.07 0.00 -1.41 0.00 0.00 60.65 58.38 2a2y s ILE 81 Cb -0.02 -1.31 -0.03 0.00 0.13 0.00 0.00 42.46 41.23 2a2y s ILE 81 CO -0.03 0.43 0.05 -0.76 -1.91 0.00 0.00 174.94 172.73 2a2y s LEU 82 N 0.29 3.38 -0.09 8.50 1.43 0.59 -2.13 118.68 130.64 2a2y s LEU 82 Ca -0.10 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 2a2y s LEU 82 Cb -0.14 -1.90 0.02 0.00 0.03 0.00 0.00 46.19 44.20 2a2y s LEU 82 CO 0.04 -0.02 -0.10 -0.22 0.23 0.00 0.00 176.35 176.28 2a2y s LEU 83 N 1.51 1.43 0.45 1.79 0.20 -0.98 0.76 118.68 123.84 2a2y s LEU 83 Ca 0.06 -0.31 0.08 0.00 0.69 0.00 0.00 54.13 54.65 2a2y s LEU 83 Cb -0.15 -0.84 0.02 0.00 -0.43 0.00 0.00 46.19 44.79 2a2y s LEU 83 CO 0.03 -0.04 0.58 -0.60 -0.29 0.00 0.00 176.35 176.02 2a2y s ARG 84 N 1.20 2.66 -0.20 1.98 3.52 0.23 -0.51 118.95 127.83 2a2y s ARG 84 Ca -0.04 -1.39 -0.26 0.00 -0.13 0.00 0.00 55.73 53.90 2a2y s ARG 84 Cb -0.14 -2.66 0.07 0.00 -1.56 0.00 0.00 34.95 30.66 2a2y s ARG 84 CO -0.03 -0.39 0.69 -1.17 -0.81 0.00 0.00 175.30 173.59 2a2y s LEU 85 N -4.38 -0.64 0.01 -0.88 2.96 -0.08 -4.35 118.68 111.32 2a2y s LEU 85 Ca 0.55 1.19 0.08 0.00 -0.22 0.00 0.00 54.13 55.72 2a2y s LEU 85 Cb -0.08 2.42 -0.03 0.00 0.50 0.00 0.00 46.19 49.01 2a2y s LEU 85 CO 0.33 -0.35 -0.24 -0.75 -1.32 0.00 0.00 176.35 174.02 2a2y s LYS 86 N -0.11 2.03 -0.11 1.98 2.36 0.86 -1.99 119.74 124.77 2a2y s LYS 86 Ca -0.03 -0.98 -0.04 0.00 -2.55 0.00 0.00 55.97 52.36 2a2y s LYS 86 Cb -0.03 -2.08 -0.04 0.00 -1.05 0.00 0.00 37.83 34.63 2a2y s LYS 86 CO 0.04 0.55 0.06 0.50 1.55 0.00 0.00 175.35 178.04 2a2y s ARG 87 N -0.99 3.26 0.00 4.03 6.06 -0.15 0.35 118.95 131.51 2a2y s ARG 87 Ca 0.12 -0.30 0.02 0.00 -2.50 0.00 0.00 55.73 53.07 2a2y s ARG 87 Cb -0.10 -2.98 -0.01 0.00 0.06 0.00 0.00 34.95 31.92 2a2y s ARG 87 CO 0.01 0.68 0.23 0.28 -2.50 0.00 0.00 175.30 174.01 2a2y n VAL 88 N 2.25 0.00 -1.28 7.11 0.31 -1.23 -4.90 118.33 120.59 2a2y n VAL 88 Ca -0.19 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 2a2y n VAL 88 Cb 0.54 1.02 0.00 0.00 -0.91 0.00 0.00 33.84 34.48 2a2y n VAL 88 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51