#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 -0.46 0.10 2.03 -2.24 -1.26 -4.93 114.28 107.51 2a2y n THR 2 Ca 0.00 -3.87 -0.04 0.00 -2.27 0.00 0.00 64.05 57.87 2a2y n THR 2 Cb 0.00 -1.04 0.01 0.00 -2.10 0.00 0.00 70.33 67.20 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 3.67 0.00 -1.28 -0.78 5.08 -1.92 -3.39 114.58 115.96 2a2y h GLU 3 Ca 0.05 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 58.02 2a2y h GLU 3 Cb 0.93 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 29.86 2a2y h GLU 3 CO 0.45 0.82 -0.95 0.36 -1.00 0.00 0.00 179.01 178.69 2a2y n LYS 4 N -3.51 1.00 -2.67 2.33 0.00 -1.26 -2.82 118.16 111.22 2a2y n LYS 4 Ca -0.00 -2.89 -0.05 0.00 -0.00 0.00 0.00 58.31 55.37 2a2y n LYS 4 Cb 0.80 -1.43 0.04 0.00 -0.00 0.00 0.00 35.03 34.44 2a2y n LYS 4 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2a2y n LEU 5 N 0.26 -1.38 -4.48 -5.58 7.94 -1.26 -4.59 117.00 107.91 2a2y n LEU 5 Ca 0.18 -2.26 -0.43 0.00 -1.11 0.00 0.00 56.01 52.39 2a2y n LEU 5 Cb 0.69 0.72 -0.04 0.00 0.53 0.00 0.00 43.42 45.31 2a2y n LEU 5 CO 0.15 1.43 0.67 0.21 -1.11 0.00 0.00 177.39 178.75 2a2y s ASN 6 N -0.46 6.25 -0.19 1.96 2.47 -1.21 -4.97 114.94 118.80 2a2y s ASN 6 Ca 0.11 -0.75 -0.19 0.00 0.42 0.00 0.00 52.86 52.46 2a2y s ASN 6 Cb 0.19 -2.40 -0.03 0.00 -1.45 0.00 0.00 41.25 37.55 2a2y s ASN 6 CO -0.07 -1.26 0.52 -1.83 -3.72 0.00 0.00 177.10 170.75 2a2y s GLU 7 N 3.73 4.21 0.06 0.43 -1.05 -1.26 -1.93 118.70 122.89 2a2y s GLU 7 Ca 0.24 0.44 0.01 0.00 -0.15 0.00 0.00 54.97 55.51 2a2y s GLU 7 Cb -0.16 -3.54 -0.03 0.00 -0.44 0.00 0.00 34.13 29.96 2a2y s GLU 7 CO 0.14 -0.11 -0.06 0.42 0.95 0.00 0.00 175.26 176.60 2a2y s ILE 8 N 1.51 0.47 -0.09 1.83 1.01 0.15 -4.90 121.20 121.18 2a2y s ILE 8 Ca 0.25 -1.41 -0.02 0.00 0.00 0.00 0.00 60.65 59.47 2a2y s ILE 8 Cb -0.15 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.28 2a2y s ILE 8 CO 0.10 -0.63 -0.01 -0.69 0.00 0.00 0.00 174.94 173.70 2a2y s VAL 9 N -2.42 4.19 0.47 2.92 1.01 -1.26 -1.61 120.40 123.71 2a2y s VAL 9 Ca -0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 2a2y s VAL 9 Cb -0.03 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 2a2y s VAL 9 CO -0.03 0.59 0.72 0.54 0.00 0.00 0.00 175.10 176.92 2a2y s VAL 10 N -0.70 4.15 0.22 2.92 0.11 0.29 -4.77 120.40 122.62 2a2y s VAL 10 Ca 0.11 -0.29 0.05 0.00 -2.93 0.00 0.00 61.98 58.91 2a2y s VAL 10 Cb -0.12 -3.56 -0.05 0.00 -1.53 0.00 0.00 36.38 31.12 2a2y s VAL 10 CO 0.02 -0.45 -0.05 -0.13 -3.33 0.00 0.00 175.10 171.16 2a2y s ARG 11 N -4.65 1.32 0.06 1.54 0.52 -1.26 -4.67 118.95 111.81 2a2y s ARG 11 Ca 0.49 -1.64 0.22 0.00 -0.52 0.00 0.00 55.73 54.28 2a2y s ARG 11 Cb -0.10 -0.78 -0.10 0.00 0.52 0.00 0.00 34.95 34.49 2a2y s ARG 11 CO 0.40 -0.00 0.86 0.36 0.02 0.00 0.00 175.30 176.93 2a2y n LYS 12 N -0.40 0.47 -0.03 3.54 -0.00 -1.26 -4.13 118.16 116.36 2a2y n LYS 12 Ca -0.07 -0.03 -0.16 0.00 -0.00 0.00 0.00 58.31 58.06 2a2y n LYS 12 Cb 0.63 -1.63 -0.09 0.00 -0.00 0.00 0.00 35.03 33.94 2a2y n LYS 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2a2y h THR 13 N 0.00 1.39 -3.97 0.58 1.03 -1.99 -3.44 112.91 106.52 2a2y h THR 13 Ca 0.00 -1.79 -0.48 0.00 -0.01 0.00 0.00 66.41 64.14 2a2y h THR 13 Cb 0.87 2.26 0.01 0.00 -1.07 0.00 0.00 68.15 70.23 2a2y h THR 13 CO 0.00 0.53 0.40 -0.75 -0.01 0.00 0.00 175.52 175.68 2a2y s LYS 14 N -3.65 4.19 1.20 0.00 2.20 -1.26 -5.04 119.74 117.38 2a2y s LYS 14 Ca -0.13 1.44 -0.20 0.00 -0.36 0.00 0.00 55.97 56.72 2a2y s LYS 14 Cb 0.05 -2.50 0.30 0.00 -1.51 0.00 0.00 37.83 34.17 2a2y s LYS 14 CO 0.80 -0.11 1.03 0.09 -0.36 0.00 0.00 175.35 176.81 2a2y n ASN 15 N -0.12 -2.23 -0.06 1.43 4.13 -1.26 -4.84 115.26 112.31 2a2y n ASN 15 Ca 0.05 -1.12 -0.14 0.00 1.68 0.00 0.00 54.58 55.06 2a2y n ASN 15 Cb 0.50 -0.97 -0.12 0.00 -1.54 0.00 0.00 39.78 37.65 2a2y n ASN 15 CO 0.00 0.00 0.00 -0.37 0.28 0.00 0.00 177.26 177.17 2a2y h VAL 16 N -2.76 1.71 0.00 2.41 -1.51 -1.93 -3.24 116.25 110.92 2a2y h VAL 16 Ca -0.39 -2.16 0.00 0.00 -1.23 0.00 0.00 66.70 62.91 2a2y h VAL 16 Cb 1.21 3.17 0.00 0.00 -2.13 0.00 0.00 31.29 33.54 2a2y h VAL 16 CO 0.26 0.56 0.10 1.05 -1.23 0.00 0.00 177.57 178.31 2a2y h GLU 17 N -0.93 0.00 -0.02 5.19 4.11 -1.96 0.16 114.58 121.13 2a2y h GLU 17 Ca -0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.34 2a2y h GLU 17 Cb 0.91 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 2a2y h GLU 17 CO 0.00 0.00 -0.42 0.22 0.07 0.00 0.00 179.01 178.88 2a2y h ASP 18 N 0.00 0.04 0.88 3.06 1.82 -1.92 0.31 116.42 120.61 2a2y h ASP 18 Ca 0.00 -0.02 -0.10 0.00 -0.39 0.00 0.00 57.03 56.52 2a2y h ASP 18 Cb 0.21 -0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.19 2a2y h ASP 18 CO 0.00 0.46 -1.18 0.45 -1.61 0.00 0.00 179.24 177.36 2a2y h HIS 19 N 0.03 0.00 0.00 0.28 3.86 -0.84 -2.21 115.15 116.27 2a2y h HIS 19 Ca -0.00 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.06 2a2y h HIS 19 Cb 0.77 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.21 2a2y h HIS 19 CO 0.00 0.36 -0.72 -0.24 0.86 0.00 0.00 177.93 178.19 2a2y h VAL 20 N 0.00 1.30 -0.00 2.45 3.04 -0.92 -0.89 116.25 121.22 2a2y h VAL 20 Ca -0.09 -2.66 -0.03 0.00 -1.01 0.00 0.00 66.70 62.91 2a2y h VAL 20 Cb 1.35 2.53 0.00 0.00 -2.01 0.00 0.00 31.29 33.17 2a2y h VAL 20 CO 0.03 0.70 -0.10 -0.07 -1.01 0.00 0.00 177.57 177.12 2a2y h LEU 21 N 0.00 0.10 -1.86 3.16 3.38 -0.44 -1.98 115.31 117.67 2a2y h LEU 21 Ca -0.01 -0.76 -0.01 0.00 0.09 0.00 0.00 57.88 57.19 2a2y h LEU 21 Cb 1.47 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.19 2a2y h LEU 21 CO 0.09 0.85 -0.07 -0.78 0.09 0.00 0.00 178.44 178.62 2a2y h ASP 22 N -0.64 0.00 0.03 -0.43 1.82 -1.40 -2.55 116.42 113.24 2a2y h ASP 22 Ca -0.01 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2a2y h ASP 22 Cb 0.86 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.87 2a2y h ASP 22 CO 0.02 0.07 -0.01 0.58 -1.61 0.00 0.00 179.24 178.29 2a2y h VAL 23 N 0.00 0.98 -0.36 2.25 2.07 -1.10 -2.57 116.25 117.51 2a2y h VAL 23 Ca -0.00 -1.65 0.11 0.00 0.82 0.00 0.00 66.70 65.98 2a2y h VAL 23 Cb 0.39 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 2a2y h VAL 23 CO 0.01 0.32 0.30 -0.29 0.02 0.00 0.00 177.57 177.93 2a2y h ILE 24 N -0.98 0.65 -0.12 4.57 2.10 -1.29 0.16 117.51 122.60 2a2y h ILE 24 Ca -0.00 0.00 -0.13 0.00 1.08 0.00 0.00 64.86 65.81 2a2y h ILE 24 Cb 0.55 0.78 0.00 0.00 -1.09 0.00 0.00 36.82 37.07 2a2y h ILE 24 CO 0.01 0.00 -0.42 0.58 -1.08 0.00 0.00 178.15 177.23 2a2y h VAL 25 N 0.00 1.37 -0.75 2.19 2.07 -1.50 -3.04 116.25 116.58 2a2y h VAL 25 Ca 0.17 -1.73 -0.06 0.00 0.82 0.00 0.00 66.70 65.91 2a2y h VAL 25 Cb 0.77 2.11 -0.03 0.00 -1.52 0.00 0.00 31.29 32.62 2a2y h VAL 25 CO -0.00 0.52 0.25 -0.07 0.02 0.00 0.00 177.57 178.28 2a2y h LEU 26 N 0.11 1.07 0.00 2.57 3.38 -0.37 -0.45 115.31 121.62 2a2y h LEU 26 Ca -0.02 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2a2y h LEU 26 Cb 1.05 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.52 2a2y h LEU 26 CO 0.09 0.98 0.00 0.33 0.09 0.00 0.00 178.44 179.93 2a2y n PHE 27 N -4.26 0.00 0.01 1.13 7.35 0.19 -1.30 117.46 120.58 2a2y n PHE 27 Ca 0.06 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.73 2a2y n PHE 27 Cb 0.22 -0.05 -0.10 0.00 0.35 0.00 0.00 39.48 39.90 2a2y n PHE 27 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2a2y n ASN 28 N -1.05 0.82 -0.38 -2.13 5.15 -0.18 -3.68 115.26 113.80 2a2y n ASN 28 Ca 0.11 0.37 0.10 0.00 -0.60 0.00 0.00 54.58 54.56 2a2y n ASN 28 Cb 0.06 0.18 0.44 0.00 -0.53 0.00 0.00 39.78 39.94 2a2y n ASN 28 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2a2y n GLN 29 N -2.90 1.51 0.00 1.20 6.02 -0.42 -4.84 117.38 117.95 2a2y n GLN 29 Ca -0.12 -0.76 0.00 0.00 -0.01 0.00 0.00 57.00 56.11 2a2y n GLN 29 Cb 0.89 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.78 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 1.04 1.01 3.55 1.08 0.00 -1.22 -4.95 105.19 105.70 2a2y n GLY 30 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 3.64 -0.03 -0.61 -1.09 -0.94 -4.29 121.20 115.88 2a2y s ILE 31 Ca 0.00 -0.09 0.03 0.00 -2.23 0.00 0.00 60.65 58.36 2a2y s ILE 31 Cb 0.00 -4.56 -0.25 0.00 -1.58 0.00 0.00 42.46 36.07 2a2y s ILE 31 CO 0.00 -1.49 0.72 0.44 -1.23 0.00 0.00 174.94 173.38 2a2y h ASP 32 N 11.35 0.21 -2.88 3.58 3.32 -1.88 -3.35 116.42 126.78 2a2y h ASP 32 Ca -0.08 -0.37 -0.63 0.00 0.02 0.00 0.00 57.03 55.97 2a2y h ASP 32 Cb 1.06 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 40.49 2a2y h ASP 32 CO 1.29 1.32 -0.47 -1.61 -1.72 0.00 0.00 179.24 178.05 2a2y s GLU 33 N -2.61 3.46 -0.06 3.56 2.02 -1.26 -1.07 118.70 122.75 2a2y s GLU 33 Ca -0.09 -0.33 -0.26 0.00 0.02 0.00 0.00 54.97 54.31 2a2y s GLU 33 Cb 0.07 -3.06 0.06 0.00 0.10 0.00 0.00 34.13 31.30 2a2y s GLU 33 CO 0.82 0.64 0.58 0.54 0.02 0.00 0.00 175.26 177.86 2a2y s VAL 34 N -1.41 0.01 -0.14 2.63 0.11 -1.03 -3.28 120.40 117.29 2a2y s VAL 34 Ca 0.31 -0.12 -0.01 0.00 -2.93 0.00 0.00 61.98 59.24 2a2y s VAL 34 Cb -0.13 -0.89 0.03 0.00 -1.53 0.00 0.00 36.38 33.87 2a2y s VAL 34 CO 0.22 -0.06 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.24 2a2y s ILE 35 N -1.08 1.03 -0.22 7.04 1.01 -0.81 -1.33 121.20 126.83 2a2y s ILE 35 Ca -0.11 -0.45 -0.10 0.00 0.00 0.00 0.00 60.65 59.99 2a2y s ILE 35 Cb -0.02 -1.15 -0.05 0.00 0.01 0.00 0.00 42.46 41.26 2a2y s ILE 35 CO 0.08 0.22 0.13 -0.76 0.00 0.00 0.00 174.94 174.61 2a2y s LEU 36 N 1.69 4.09 -0.04 2.97 1.02 0.89 0.32 118.68 129.60 2a2y s LEU 36 Ca 0.03 0.14 0.04 0.00 0.02 0.00 0.00 54.13 54.36 2a2y s LEU 36 Cb -0.14 -2.08 -0.02 0.00 0.02 0.00 0.00 46.19 43.97 2a2y s LEU 36 CO -0.08 0.11 -0.17 -0.54 0.02 0.00 0.00 176.35 175.70 2a2y s LYS 37 N 0.75 2.43 0.15 1.70 1.02 -0.63 -0.88 119.74 124.28 2a2y s LYS 37 Ca 0.07 -0.74 -0.09 0.00 0.02 0.00 0.00 55.97 55.23 2a2y s LYS 37 Cb -0.13 -2.31 -0.00 0.00 -0.52 0.00 0.00 37.83 34.87 2a2y s LYS 37 CO 0.02 0.61 0.27 0.20 -0.92 0.00 0.00 175.35 175.53 2a2y s GLY 38 N -0.70 0.36 0.03 -3.33 0.00 -1.01 0.10 107.32 102.77 2a2y s GLY 38 Ca 0.11 -0.79 0.01 0.00 0.00 0.00 0.00 44.72 44.06 2a2y s GLY 38 CO 0.00 -0.80 -0.06 -0.51 0.00 0.00 0.00 173.10 171.74 2a2y s THR 39 N -3.94 0.36 0.00 0.90 -4.23 -1.26 -1.97 115.64 105.50 2a2y s THR 39 Ca 0.14 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.80 2a2y s THR 39 Cb 0.03 -0.43 0.00 0.00 1.34 0.00 0.00 72.50 73.44 2a2y s THR 39 CO -0.03 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.33 2a2y n GLY 40 N 1.80 0.24 0.13 3.99 0.00 -0.17 0.67 105.19 111.84 2a2y n GLY 40 Ca -0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.59 2a2y n GLY 40 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2a2y h ARG 41 N 0.00 0.25 0.00 1.61 0.11 -1.95 -3.33 114.38 111.07 2a2y h ARG 41 Ca 0.00 -0.43 -0.01 0.00 0.10 0.00 0.00 59.98 59.64 2a2y h ARG 41 Cb 0.00 0.16 -0.00 0.00 1.11 0.00 0.00 29.97 31.24 2a2y h ARG 41 CO 0.00 1.21 -0.07 0.93 0.10 0.00 0.00 179.97 182.14 2a2y h GLU 42 N -0.22 0.00 -0.40 0.08 5.08 -0.06 -3.09 114.58 115.96 2a2y h GLU 42 Ca -0.34 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.10 2a2y h GLU 42 Cb 1.83 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.99 2a2y h GLU 42 CO 0.06 0.07 -0.32 0.97 -1.00 0.00 0.00 179.01 178.78 2a2y h ILE 43 N 0.00 0.23 0.00 3.13 2.10 -1.58 0.04 117.51 121.43 2a2y h ILE 43 Ca -0.00 0.00 -0.06 0.00 1.08 0.00 0.00 64.86 65.88 2a2y h ILE 43 Cb 0.33 0.23 -0.01 0.00 -1.09 0.00 0.00 36.82 36.28 2a2y h ILE 43 CO 0.01 0.00 -0.28 0.28 -1.08 0.00 0.00 178.15 177.08 2a2y h SER 44 N -0.25 0.00 -0.84 2.19 0.02 -1.76 -2.95 113.55 109.97 2a2y h SER 44 Ca 0.17 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2a2y h SER 44 Cb 0.54 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.04 2a2y h SER 44 CO -0.54 0.28 0.51 0.11 -1.14 0.00 0.00 176.83 176.05 2a2y h LYS 45 N 0.00 1.13 -0.88 3.45 6.56 -1.08 -1.52 116.57 124.24 2a2y h LYS 45 Ca -0.00 -0.10 0.01 0.00 -1.06 0.00 0.00 60.65 59.50 2a2y h LYS 45 Cb 0.65 -0.24 -0.04 0.00 -0.57 0.00 0.00 32.23 32.02 2a2y h LYS 45 CO 0.04 0.79 0.59 0.00 -2.06 0.00 0.00 179.45 178.80 2a2y h ALA 46 N 1.28 1.38 0.38 3.86 0.00 -1.30 -2.61 119.26 122.25 2a2y h ALA 46 Ca 0.30 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2a2y h ALA 46 Cb -0.05 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.39 2a2y h ALA 46 CO -0.06 0.57 -0.19 0.28 0.00 0.00 0.00 179.25 179.85 2a2y h VAL 47 N 1.19 0.00 -0.69 0.00 2.07 -1.34 -2.43 116.25 115.04 2a2y h VAL 47 Ca 0.33 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.97 2a2y h VAL 47 Cb -0.12 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.53 2a2y h VAL 47 CO -0.08 0.00 -0.33 -0.78 0.02 0.00 0.00 177.57 176.41 2a2y h ASP 48 N -0.52 -1.15 -0.53 0.57 1.82 -1.40 0.46 116.42 115.66 2a2y h ASP 48 Ca -0.05 0.24 0.09 0.00 -0.39 0.00 0.00 57.03 56.92 2a2y h ASP 48 Cb 0.40 0.60 -0.10 0.00 0.68 0.00 0.00 39.33 40.90 2a2y h ASP 48 CO 0.08 -0.29 -0.37 0.58 -1.61 0.00 0.00 179.24 177.62 2a2y h VAL 49 N -0.11 0.15 -0.38 2.25 2.07 -1.43 1.07 116.25 119.87 2a2y h VAL 49 Ca 0.27 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.75 2a2y h VAL 49 Cb 0.56 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 2a2y h VAL 49 CO -0.75 0.00 0.09 0.22 0.02 0.00 0.00 177.57 177.14 2a2y h TYR 50 N -0.22 0.64 -0.23 1.57 3.20 -0.41 0.33 116.97 121.84 2a2y h TYR 50 Ca 0.19 -0.08 0.02 0.00 3.14 0.00 0.00 58.73 62.01 2a2y h TYR 50 Cb 0.56 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 2a2y h TYR 50 CO -0.64 0.63 0.09 -0.97 -1.64 0.00 0.00 178.16 175.64 2a2y h ASN 51 N 0.47 0.12 0.40 -2.11 -1.24 0.14 1.10 115.58 114.47 2a2y h ASN 51 Ca 0.12 0.02 -0.07 0.00 0.71 0.00 0.00 56.30 57.08 2a2y h ASN 51 Cb 0.31 -0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.35 2a2y h ASN 51 CO 0.00 0.10 -0.34 0.77 -1.29 0.00 0.00 177.43 176.67 2a2y h SER 52 N 0.21 0.00 1.37 1.15 4.64 0.13 0.17 113.55 121.22 2a2y h SER 52 Ca 0.10 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.31 2a2y h SER 52 Cb 0.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 2a2y h SER 52 CO -0.09 0.34 -0.51 0.25 -0.87 0.00 0.00 176.83 175.96 2a2y h LEU 53 N 0.00 0.00 0.01 5.97 5.85 0.12 -2.88 115.31 124.37 2a2y h LEU 53 Ca -0.00 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 2a2y h LEU 53 Cb 0.64 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.67 2a2y h LEU 53 CO 0.04 0.51 -0.40 0.50 -0.34 0.00 0.00 178.44 178.75 2a2y h LYS 54 N 0.00 0.26 0.00 1.25 3.11 0.20 -2.58 116.57 118.80 2a2y h LYS 54 Ca -0.01 -0.29 0.00 0.00 -2.81 0.00 0.00 60.65 57.55 2a2y h LYS 54 Cb 1.33 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.64 2a2y h LYS 54 CO 0.07 1.01 0.04 -3.47 -2.81 0.00 0.00 179.45 174.29 2a2y n ASP 55 N -4.38 0.00 -0.01 4.20 2.03 0.52 -0.82 116.55 118.08 2a2y n ASP 55 Ca -0.10 0.31 -0.16 0.00 0.52 0.00 0.00 54.79 55.35 2a2y n ASP 55 Cb 0.58 -0.31 -0.12 0.00 -0.72 0.00 0.00 41.12 40.56 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 0.24 0.00 -0.67 9.65 -1.24 -3.45 114.38 118.91 2a2y h ARG 56 Ca 0.00 -0.27 0.00 0.00 -1.10 0.00 0.00 59.98 58.61 2a2y h ARG 56 Cb 0.08 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.74 2a2y h ARG 56 CO 0.00 1.00 0.00 -0.11 2.80 0.00 0.00 179.97 183.66 2a2y n LEU 57 N -4.40 0.00 0.00 3.80 7.94 -0.47 -5.01 117.00 118.86 2a2y n LEU 57 Ca -0.10 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.80 2a2y n LEU 57 Cb 0.58 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.53 2a2y n LEU 57 CO 0.42 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.31 2a2y n GLY 58 N -0.11 0.71 0.07 -3.96 0.00 -0.00 -4.26 105.19 97.63 2a2y n GLY 58 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 0.02 0.00 1.61 1.82 -1.95 -3.00 116.42 114.92 2a2y h ASP 59 Ca 0.00 -0.73 0.00 0.00 -0.39 0.00 0.00 57.03 55.91 2a2y h ASP 59 Cb 0.00 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.00 2a2y h ASP 59 CO 0.00 0.75 0.00 0.61 -1.61 0.00 0.00 179.24 178.99 2a2y n GLY 60 N 0.89 1.25 3.24 -0.78 0.00 -1.26 -4.09 105.19 104.44 2a2y n GLY 60 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.58 -0.00 -0.03 1.61 1.01 -1.13 -3.88 120.40 117.40 2a2y s VAL 61 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 2a2y s VAL 61 Cb 0.00 -0.50 0.01 0.00 0.00 0.00 0.00 36.38 35.89 2a2y s VAL 61 CO 0.00 0.00 0.11 -1.10 0.00 0.00 0.00 175.10 174.11 2a2y s GLN 62 N 0.24 0.21 -0.77 2.72 -1.52 0.80 -4.71 119.66 116.64 2a2y s GLN 62 Ca -0.00 0.01 -0.18 0.00 -1.95 0.00 0.00 55.36 53.24 2a2y s GLN 62 Cb -0.03 0.09 0.14 0.00 -0.22 0.00 0.00 33.01 32.99 2a2y s GLN 62 CO -0.00 -0.04 0.88 -1.17 -0.25 0.00 0.00 175.29 174.71 2a2y s LEU 63 N -0.29 5.55 0.08 2.90 0.20 -1.26 0.18 118.68 126.04 2a2y s LEU 63 Ca -0.04 -1.92 -0.05 0.00 0.69 0.00 0.00 54.13 52.82 2a2y s LEU 63 Cb -0.03 -2.32 -0.26 0.00 -0.43 0.00 0.00 46.19 43.16 2a2y s LEU 63 CO 0.00 -0.99 1.16 -0.37 -0.29 0.00 0.00 176.35 175.86 2a2y h VAL 64 N 5.62 1.47 -2.23 1.68 -1.51 -1.84 -3.48 116.25 115.96 2a2y h VAL 64 Ca -0.05 -2.94 0.08 0.00 -1.23 0.00 0.00 66.70 62.55 2a2y h VAL 64 Cb 1.05 2.87 -0.16 0.00 -2.13 0.00 0.00 31.29 32.92 2a2y h VAL 64 CO 1.03 0.86 0.44 0.20 -1.23 0.00 0.00 177.57 178.87 2a2y s ASN 65 N -7.17 -0.41 -0.14 4.19 0.01 -1.26 -5.03 114.94 105.13 2a2y s ASN 65 Ca -0.05 0.12 -0.26 0.00 -0.71 0.00 0.00 52.86 51.97 2a2y s ASN 65 Cb 0.07 0.41 0.06 0.00 0.41 0.00 0.00 41.25 42.20 2a2y s ASN 65 CO 0.89 -0.62 0.63 -0.69 -1.51 0.00 0.00 177.10 175.80 2a2y s VAL 66 N -2.73 0.01 0.17 1.60 1.01 -1.26 -0.21 120.40 118.99 2a2y s VAL 66 Ca 0.02 -0.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.86 2a2y s VAL 66 Cb -0.01 -0.92 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 2a2y s VAL 66 CO -0.06 -0.02 0.30 -1.58 0.00 0.00 0.00 175.10 173.73 2a2y s GLN 67 N -0.49 1.17 -0.12 2.72 0.74 0.12 -4.98 119.66 118.82 2a2y s GLN 67 Ca -0.06 -1.15 -0.06 0.00 0.05 0.00 0.00 55.36 54.14 2a2y s GLN 67 Cb -0.03 0.39 0.05 0.00 1.10 0.00 0.00 33.01 34.52 2a2y s GLN 67 CO 0.05 -0.43 0.27 0.95 -0.55 0.00 0.00 175.29 175.58 2a2y s THR 68 N -3.96 -0.05 0.27 -0.34 -4.23 -1.26 -0.22 115.64 105.84 2a2y s THR 68 Ca 0.17 0.14 -0.12 0.00 -1.18 0.00 0.00 61.69 60.70 2a2y s THR 68 Cb 0.03 -0.42 0.00 0.00 1.34 0.00 0.00 72.50 73.45 2a2y s THR 68 CO -0.00 0.06 0.51 -0.83 -0.54 0.00 0.00 174.62 173.82 2a2y s GLY 69 N 1.33 0.60 0.21 3.99 0.00 -0.61 -5.00 107.32 107.83 2a2y s GLY 69 Ca -0.09 -0.91 0.08 0.00 0.00 0.00 0.00 44.72 43.80 2a2y s GLY 69 CO -0.09 -0.62 -0.01 -1.35 0.00 0.00 0.00 173.10 171.03 2a2y s SER 70 N -3.04 4.62 0.33 1.64 1.04 -1.26 0.12 113.70 117.15 2a2y s SER 70 Ca 0.22 -0.51 -0.11 0.00 0.48 0.00 0.00 55.95 56.03 2a2y s SER 70 Cb -0.01 -0.91 0.02 0.00 0.10 0.00 0.00 66.02 65.21 2a2y s SER 70 CO 0.10 0.06 0.61 -1.83 0.98 0.00 0.00 173.24 173.17 2a2y s GLU 71 N -3.18 1.93 -0.03 4.02 4.04 -0.07 -4.92 118.70 120.49 2a2y s GLU 71 Ca 0.28 -1.46 -0.22 0.00 0.04 0.00 0.00 54.97 53.62 2a2y s GLU 71 Cb -0.08 0.53 -0.05 0.00 0.02 0.00 0.00 34.13 34.55 2a2y s GLU 71 CO 0.18 -0.85 0.63 0.08 -1.84 0.00 0.00 175.26 173.47 2a2y s VAL 72 N -3.10 4.96 -0.29 1.83 1.01 -1.26 -0.62 120.40 122.94 2a2y s VAL 72 Ca 0.21 1.32 -0.02 0.00 0.00 0.00 0.00 61.98 63.49 2a2y s VAL 72 Cb -0.03 -3.97 0.12 0.00 0.00 0.00 0.00 36.38 32.50 2a2y s VAL 72 CO 0.13 0.35 0.22 -0.60 0.00 0.00 0.00 175.10 175.20 2a2y s ARG 73 N 0.23 0.26 0.00 2.72 3.52 0.72 -4.85 118.95 121.55 2a2y s ARG 73 Ca 0.33 -0.32 0.00 0.00 -0.13 0.00 0.00 55.73 55.61 2a2y s ARG 73 Cb -0.18 -0.89 0.00 0.00 -1.56 0.00 0.00 34.95 32.32 2a2y s ARG 73 CO 0.17 -1.03 0.00 -3.47 -0.81 0.00 0.00 175.30 170.17 2a2y n ASP 74 N 5.28 -1.43 -3.27 -2.12 -0.08 -1.26 -3.92 116.55 109.74 2a2y n ASP 74 Ca -0.04 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.01 2a2y n ASP 74 Cb 0.44 -0.36 0.06 0.00 2.34 0.00 0.00 41.12 43.60 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 -0.36 -6.43 -3.63 -0.67 3.00 -1.26 -4.97 116.66 102.33 2a2y n ARG 75 Ca 0.00 0.86 -0.16 0.00 -0.01 0.00 0.00 57.85 58.54 2a2y n ARG 75 Cb 0.36 -5.79 -0.07 0.00 0.00 0.00 0.00 32.46 26.95 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 -6.00 0.87 0.20 5.56 6.06 -1.25 -5.14 118.95 119.24 2a2y s ARG 76 Ca 0.45 0.14 -0.26 0.00 -2.50 0.00 0.00 55.73 53.55 2a2y s ARG 76 Cb -0.20 0.40 -0.08 0.00 0.06 0.00 0.00 34.95 35.13 2a2y s ARG 76 CO 0.55 -0.25 0.82 0.50 -2.50 0.00 0.00 175.30 174.42 2a2y s ARG 77 N -1.10 4.60 0.05 5.12 6.06 -1.26 -0.20 118.95 132.22 2a2y s ARG 77 Ca -0.11 1.21 -0.06 0.00 -2.50 0.00 0.00 55.73 54.27 2a2y s ARG 77 Cb -0.02 -3.18 -0.01 0.00 0.06 0.00 0.00 34.95 31.79 2a2y s ARG 77 CO 0.07 0.52 0.11 -1.50 -2.50 0.00 0.00 175.30 172.00 2a2y s ILE 78 N -1.24 0.15 0.34 4.11 2.07 0.21 -4.88 121.20 121.96 2a2y s ILE 78 Ca 0.39 -1.20 -0.10 0.00 -1.41 0.00 0.00 60.65 58.32 2a2y s ILE 78 Cb -0.23 -1.11 -0.07 0.00 0.13 0.00 0.00 42.46 41.19 2a2y s ILE 78 CO 0.27 -0.66 0.69 -0.55 -1.91 0.00 0.00 174.94 172.77 2a2y s SER 79 N -2.43 6.59 0.01 4.50 0.15 -1.26 -0.90 113.70 120.36 2a2y s SER 79 Ca -0.01 1.06 -0.10 0.00 0.70 0.00 0.00 55.95 57.60 2a2y s SER 79 Cb 0.02 -2.29 0.01 0.00 -1.71 0.00 0.00 66.02 62.05 2a2y s SER 79 CO -0.07 -0.26 0.21 -0.72 1.20 0.00 0.00 173.24 173.59 2a2y s TYR 80 N -2.14 -0.01 -0.04 3.44 -0.85 0.12 -1.00 117.35 116.87 2a2y s TYR 80 Ca 0.50 -0.08 0.06 0.00 -0.52 0.00 0.00 57.07 57.03 2a2y s TYR 80 Cb -0.10 -0.00 -0.01 0.00 0.38 0.00 0.00 41.96 42.22 2a2y s TYR 80 CO 0.26 -0.37 -0.23 -1.50 -1.52 0.00 0.00 175.55 172.19 2a2y s ILE 81 N -1.83 1.87 -0.39 -3.49 2.07 -0.83 -1.58 121.20 117.02 2a2y s ILE 81 Ca -0.11 -0.99 -0.06 0.00 -1.41 0.00 0.00 60.65 58.09 2a2y s ILE 81 Cb -0.04 -1.57 0.08 0.00 0.13 0.00 0.00 42.46 41.05 2a2y s ILE 81 CO 0.00 0.53 0.19 -0.76 -1.91 0.00 0.00 174.94 172.98 2a2y s LEU 82 N -0.32 4.90 -0.24 8.50 1.43 0.69 -2.40 118.68 131.24 2a2y s LEU 82 Ca 0.02 -1.59 -0.07 0.00 -1.03 0.00 0.00 54.13 51.46 2a2y s LEU 82 Cb -0.11 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 2a2y s LEU 82 CO 0.01 -0.47 0.05 -0.22 0.23 0.00 0.00 176.35 175.95 2a2y s LEU 83 N 1.31 3.38 0.39 1.79 2.96 -0.05 0.16 118.68 128.61 2a2y s LEU 83 Ca 0.03 -0.22 0.08 0.00 -0.22 0.00 0.00 54.13 53.79 2a2y s LEU 83 Cb -0.22 -1.90 -0.01 0.00 0.50 0.00 0.00 46.19 44.56 2a2y s LEU 83 CO -0.00 -0.02 0.43 -0.60 -1.32 0.00 0.00 176.35 174.83 2a2y s ARG 84 N 1.54 2.75 0.15 1.98 3.52 0.71 -0.08 118.95 129.52 2a2y s ARG 84 Ca 0.06 -1.32 -0.23 0.00 -0.13 0.00 0.00 55.73 54.10 2a2y s ARG 84 Cb -0.15 -2.58 0.07 0.00 -1.56 0.00 0.00 34.95 30.74 2a2y s ARG 84 CO 0.03 -0.12 0.62 -1.17 -0.81 0.00 0.00 175.30 173.86 2a2y s LEU 85 N -4.17 -0.55 -0.01 -0.88 2.96 -0.44 -4.42 118.68 111.17 2a2y s LEU 85 Ca 0.48 -0.01 -0.03 0.00 -0.22 0.00 0.00 54.13 54.35 2a2y s LEU 85 Cb -0.07 2.56 -0.00 0.00 0.50 0.00 0.00 46.19 49.18 2a2y s LEU 85 CO 0.30 -0.95 0.06 -0.75 -1.32 0.00 0.00 176.35 173.69 2a2y s LYS 86 N -3.70 0.25 -0.12 1.98 2.36 0.47 -2.47 119.74 118.50 2a2y s LYS 86 Ca 0.01 -0.22 -0.04 0.00 -2.55 0.00 0.00 55.97 53.17 2a2y s LYS 86 Cb -0.01 0.10 -0.04 0.00 -1.05 0.00 0.00 37.83 36.83 2a2y s LYS 86 CO -0.12 -0.05 0.04 1.03 1.55 0.00 0.00 175.35 177.80 2a2y s ARG 87 N -0.73 3.37 0.00 4.03 1.81 -0.23 0.28 118.95 127.48 2a2y s ARG 87 Ca -0.08 -0.35 0.13 0.00 -1.72 0.00 0.00 55.73 53.71 2a2y s ARG 87 Cb -0.05 -2.98 -0.08 0.00 -0.45 0.00 0.00 34.95 31.39 2a2y s ARG 87 CO 0.00 0.57 0.66 0.28 -0.68 0.00 0.00 175.30 176.13 2a2y n VAL 88 N 2.58 0.00 -1.97 3.52 0.31 -1.25 -4.92 118.33 116.61 2a2y n VAL 88 Ca -0.18 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 2a2y n VAL 88 Cb 0.53 1.08 0.00 0.00 -0.91 0.00 0.00 33.84 34.54 2a2y n VAL 88 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51