#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q3g s ASP 2 N 0.00 5.20 -0.02 7.83 1.01 0.10 -4.90 116.67 125.90 2q3g s ASP 2 Ca 0.00 -0.16 -0.08 0.00 0.71 0.00 0.00 52.55 53.02 2q3g s ASP 2 Cb 0.00 -1.92 -0.05 0.00 1.01 0.00 0.00 42.92 41.96 2q3g s ASP 2 CO 0.00 0.01 0.27 -0.94 0.21 0.00 0.00 175.17 174.72 2q3g s SER 3 N 1.35 6.53 0.25 0.27 1.04 -1.26 -0.88 113.70 121.00 2q3g s SER 3 Ca 0.05 0.61 -0.22 0.00 0.48 0.00 0.00 55.95 56.88 2q3g s SER 3 Cb -0.15 -2.11 0.03 0.00 0.10 0.00 0.00 66.02 63.89 2q3g s SER 3 CO 0.03 0.29 0.71 0.72 0.98 0.00 0.00 173.24 175.98 2q3g s PHE 4 N -1.21 -0.26 -0.00 5.02 -0.12 -0.30 -4.99 117.98 116.12 2q3g s PHE 4 Ca 0.24 -0.14 0.06 0.00 -0.05 0.00 0.00 56.93 57.04 2q3g s PHE 4 Cb -0.14 0.67 -0.02 0.00 -0.63 0.00 0.00 43.02 42.91 2q3g s PHE 4 CO 0.13 -1.13 -0.18 0.21 -0.05 0.00 0.00 175.22 174.20 2q3g s LYS 5 N -3.84 1.37 0.15 1.99 2.20 -1.26 -0.49 119.74 119.86 2q3g s LYS 5 Ca 0.09 -0.68 0.07 0.00 -0.36 0.00 0.00 55.97 55.09 2q3g s LYS 5 Cb -0.05 -1.36 -0.04 0.00 -1.51 0.00 0.00 37.83 34.88 2q3g s LYS 5 CO 0.03 0.37 -0.16 0.14 -0.36 0.00 0.00 175.35 175.36 2q3g s VAL 6 N -0.50 1.59 -0.11 4.02 -7.23 -0.50 -5.01 120.40 112.65 2q3g s VAL 6 Ca 0.06 -1.83 0.01 0.00 -1.81 0.00 0.00 61.98 58.41 2q3g s VAL 6 Cb -0.07 -1.71 0.02 0.00 0.56 0.00 0.00 36.38 35.18 2q3g s VAL 6 CO -0.00 -0.37 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.59 2q3g s VAL 7 N -2.12 1.41 -0.09 1.32 1.01 -1.26 -0.87 120.40 119.80 2q3g s VAL 7 Ca 0.13 -0.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.46 2q3g s VAL 7 Cb -0.05 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 2q3g s VAL 7 CO 0.05 0.43 0.16 -0.76 0.00 0.00 0.00 175.10 174.98 2q3g s LEU 8 N 1.13 4.39 -0.24 3.92 1.43 0.60 -4.93 118.68 124.97 2q3g s LEU 8 Ca -0.04 0.48 -0.09 0.00 -1.03 0.00 0.00 54.13 53.45 2q3g s LEU 8 Cb -0.14 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 2q3g s LEU 8 CO -0.03 0.38 0.12 -1.61 0.23 0.00 0.00 176.35 175.44 2q3g s GLU 9 N -1.19 3.88 1.17 1.70 2.02 -1.26 -1.33 118.70 123.69 2q3g s GLU 9 Ca 0.18 -0.37 -0.20 0.00 0.02 0.00 0.00 54.97 54.60 2q3g s GLU 9 Cb -0.12 -3.44 0.28 0.00 0.10 0.00 0.00 34.13 30.95 2q3g s GLU 9 CO 0.07 -0.05 1.18 0.20 0.02 0.00 0.00 175.26 176.68 2q3g s GLY 10 N 1.32 1.65 0.69 -1.39 0.00 0.76 -4.86 107.32 105.50 2q3g s GLY 10 Ca 0.06 -1.14 -0.11 0.00 0.00 0.00 0.00 44.72 43.53 2q3g s GLY 10 CO 0.05 -0.23 1.06 2.56 0.00 0.00 0.00 173.10 176.54 2q3g s PRO 11 N -5.63 2.97 0.81 2.90 0.04 -1.26 -5.04 135.00 129.79 2q3g s PRO 11 Ca 0.73 0.89 -0.15 0.00 0.04 0.00 0.00 61.00 62.51 2q3g s PRO 11 Cb -0.06 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 2q3g s PRO 11 CO 0.55 -1.06 0.37 0.00 0.04 0.00 0.00 177.00 176.91 2q3g n ALA 12 N -3.09 -2.20 -1.77 8.56 0.00 -1.26 -4.71 120.51 116.03 2q3g n ALA 12 Ca 0.07 -0.39 -0.40 0.00 0.00 0.00 0.00 53.44 52.72 2q3g n ALA 12 Cb 0.54 -1.77 0.01 0.00 0.00 0.00 0.00 19.45 18.22 2q3g n ALA 12 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2q3g s PRO 13 N -2.94 3.91 0.27 0.00 0.02 -1.26 -5.12 135.00 129.88 2q3g s PRO 13 Ca 0.61 2.48 0.22 0.00 0.02 0.00 0.00 61.00 64.33 2q3g s PRO 13 Cb -0.30 -2.81 0.10 0.00 0.02 0.00 0.00 34.50 31.51 2q3g s PRO 13 CO 0.63 -0.66 1.21 -1.49 -0.33 0.00 0.00 177.00 176.36 2q3g h TRP 14 N 2.67 0.00 -0.59 6.54 4.06 -1.99 -3.43 115.95 123.21 2q3g h TRP 14 Ca -0.51 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.44 2q3g h TRP 14 Cb 1.25 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.41 2q3g h TRP 14 CO 0.52 0.03 0.00 0.41 -3.56 0.00 0.00 178.44 175.83 2q3g n GLY 15 N 1.16 0.93 3.38 1.49 0.00 -1.26 -1.28 105.19 109.62 2q3g n GLY 15 Ca 0.01 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 2q3g n GLY 15 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2q3g s PHE 16 N -2.59 0.21 0.11 1.61 -0.12 -1.26 -1.14 117.98 114.79 2q3g s PHE 16 Ca 0.00 -0.58 0.08 0.00 -0.05 0.00 0.00 56.93 56.39 2q3g s PHE 16 Cb 0.00 0.08 -0.04 0.00 -0.63 0.00 0.00 43.02 42.44 2q3g s PHE 16 CO 0.00 -0.77 -0.21 0.50 -0.05 0.00 0.00 175.22 174.70 2q3g s ARG 17 N -3.93 1.14 0.17 1.99 3.52 -0.58 -4.98 118.95 116.29 2q3g s ARG 17 Ca 0.14 -1.19 0.05 0.00 -0.13 0.00 0.00 55.73 54.61 2q3g s ARG 17 Cb 0.02 -1.38 -0.04 0.00 -1.56 0.00 0.00 34.95 32.00 2q3g s ARG 17 CO -0.02 0.32 0.13 -0.51 -0.81 0.00 0.00 175.30 174.41 2q3g s LEU 18 N -1.98 3.76 0.15 -0.88 1.43 -1.26 -0.72 118.68 119.17 2q3g s LEU 18 Ca 0.07 -0.17 0.04 0.00 -1.03 0.00 0.00 54.13 53.04 2q3g s LEU 18 Cb -0.10 -2.36 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 2q3g s LEU 18 CO 0.04 0.06 -0.09 0.00 0.23 0.00 0.00 176.35 176.60 2q3g s GLN 19 N -3.16 1.04 0.96 1.70 -2.07 -0.34 -4.68 119.66 113.12 2q3g s GLN 19 Ca 0.31 -1.45 0.00 0.00 -1.82 0.00 0.00 55.36 52.40 2q3g s GLN 19 Cb -0.10 -0.54 0.00 0.00 -1.09 0.00 0.00 33.01 31.28 2q3g s GLN 19 CO 0.23 0.04 0.00 0.41 -1.32 0.00 0.00 175.29 174.65 2q3g n GLY 20 N -0.19 -2.07 0.00 2.60 0.00 -1.26 -1.21 105.19 103.05 2q3g n GLY 20 Ca -0.10 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.46 2q3g n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q3g n GLY 21 N 0.00 2.67 0.26 -0.02 0.00 -0.76 -4.08 105.19 103.26 2q3g n GLY 21 Ca 0.00 -1.82 0.17 0.00 0.00 0.00 0.00 46.02 44.37 2q3g n GLY 21 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2q3g h LYS 22 N 0.00 0.00 -0.07 1.61 2.10 -1.67 -1.26 116.57 117.28 2q3g h LYS 22 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2q3g h LYS 22 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2q3g h LYS 22 CO 0.00 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.05 2q3g n ASP 23 N -2.92 1.13 -4.75 7.07 5.75 -1.26 -4.89 116.55 116.68 2q3g n ASP 23 Ca 0.00 -1.51 -0.31 0.00 -0.01 0.00 0.00 54.79 52.96 2q3g n ASP 23 Cb 0.25 -0.04 -0.08 0.00 -1.03 0.00 0.00 41.12 40.22 2q3g n ASP 23 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 2q3g s PHE 24 N -1.91 2.04 -2.19 2.11 0.08 -0.47 -5.05 117.98 112.58 2q3g s PHE 24 Ca 0.35 -0.85 0.19 0.00 0.12 0.00 0.00 56.93 56.74 2q3g s PHE 24 Cb 0.18 -1.71 0.53 0.00 -0.57 0.00 0.00 43.02 41.45 2q3g s PHE 24 CO 0.29 0.20 1.43 0.09 -0.10 0.00 0.00 175.22 177.13 2q3g n ASN 25 N -1.25 2.62 -4.01 1.36 3.02 -1.26 -4.77 115.26 110.97 2q3g n ASN 25 Ca -0.13 -1.92 -0.16 0.00 -0.03 0.00 0.00 54.58 52.34 2q3g n ASN 25 Cb 0.67 -0.26 -0.14 0.00 -0.61 0.00 0.00 39.78 39.44 2q3g n ASN 25 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2q3g s VAL 26 N -1.49 0.57 0.91 2.41 -7.23 -1.26 -5.10 120.40 109.21 2q3g s VAL 26 Ca 0.35 -0.50 -0.10 0.00 -1.81 0.00 0.00 61.98 59.92 2q3g s VAL 26 Cb 0.19 -0.52 0.14 0.00 0.56 0.00 0.00 36.38 36.75 2q3g s VAL 26 CO 0.26 0.03 1.11 -0.81 -0.31 0.00 0.00 175.10 175.38 2q3g n PRO 27 N 2.55 -0.40 -1.78 4.82 -0.04 -1.26 -1.83 135.00 137.05 2q3g n PRO 27 Ca -0.15 -0.05 -0.42 0.00 -0.04 0.00 0.00 63.50 62.84 2q3g n PRO 27 Cb 0.57 -2.35 -0.03 0.00 -0.04 0.00 0.00 33.50 31.65 2q3g n PRO 27 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2q3g s LEU 28 N -6.19 4.36 0.18 1.53 2.96 -1.26 -4.13 118.68 116.14 2q3g s LEU 28 Ca 0.67 2.85 -0.14 0.00 -0.22 0.00 0.00 54.13 57.28 2q3g s LEU 28 Cb -0.23 -3.61 0.01 0.00 0.50 0.00 0.00 46.19 42.86 2q3g s LEU 28 CO 0.58 -0.93 0.43 -0.94 -1.32 0.00 0.00 176.35 174.18 2q3g s SER 29 N 0.97 -0.14 -0.21 3.68 1.04 -0.35 -1.37 113.70 117.31 2q3g s SER 29 Ca 0.70 -0.63 -0.29 0.00 0.48 0.00 0.00 55.95 56.21 2q3g s SER 29 Cb -0.48 0.52 -0.00 0.00 0.10 0.00 0.00 66.02 66.16 2q3g s SER 29 CO 0.36 -0.99 1.19 -0.63 0.98 0.00 0.00 173.24 174.16 2q3g s ILE 30 N -3.91 4.39 -0.13 -1.02 -1.09 -0.15 -1.19 121.20 118.10 2q3g s ILE 30 Ca 0.12 1.66 0.09 0.00 -2.23 0.00 0.00 60.65 60.29 2q3g s ILE 30 Cb 0.01 -4.13 -0.23 0.00 -1.58 0.00 0.00 42.46 36.52 2q3g s ILE 30 CO -0.02 -0.21 0.33 -1.54 -1.23 0.00 0.00 174.94 172.27 2q3g n SER 31 N 6.67 1.03 -3.84 3.58 3.41 0.10 -0.34 113.62 124.24 2q3g n SER 31 Ca 0.13 0.19 -0.11 0.00 -0.26 0.00 0.00 58.87 58.82 2q3g n SER 31 Cb 0.45 0.02 -0.09 0.00 -0.26 0.00 0.00 64.21 64.33 2q3g n SER 31 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2q3g s ARG 32 N -2.55 0.62 -0.03 4.33 0.52 -1.19 -4.84 118.95 115.81 2q3g s ARG 32 Ca -0.14 -0.48 0.02 0.00 -0.52 0.00 0.00 55.73 54.62 2q3g s ARG 32 Cb 0.07 0.26 0.01 0.00 0.52 0.00 0.00 34.95 35.81 2q3g s ARG 32 CO 0.79 -0.17 -0.10 -0.51 0.02 0.00 0.00 175.30 175.33 2q3g s LEU 33 N -1.73 1.74 -0.08 2.53 1.43 -1.26 -1.52 118.68 119.78 2q3g s LEU 33 Ca -0.10 -0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 52.50 2q3g s LEU 33 Cb -0.04 -0.61 -0.03 0.00 0.03 0.00 0.00 46.19 45.54 2q3g s LEU 33 CO -0.01 0.06 1.24 -0.89 0.23 0.00 0.00 176.35 176.98 2q3g s THR 34 N 0.30 4.22 0.21 5.49 2.01 -0.29 -4.98 115.64 122.59 2q3g s THR 34 Ca -0.05 1.53 -0.32 0.00 0.31 0.00 0.00 61.69 63.15 2q3g s THR 34 Cb -0.10 -3.98 -0.13 0.00 0.01 0.00 0.00 72.50 68.29 2q3g s THR 34 CO 0.01 -0.04 1.60 -2.65 -0.69 0.00 0.00 174.62 172.85 2q3g n PRO 35 N 5.63 2.40 -0.53 4.92 -0.02 -1.26 -1.28 135.00 144.85 2q3g n PRO 35 Ca 0.12 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 2q3g n PRO 35 Cb 0.46 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 2q3g n PRO 35 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2q3g n GLY 36 N 3.21 1.47 3.79 -1.23 0.00 -1.26 -5.01 105.19 106.16 2q3g n GLY 36 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2q3g n GLY 36 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2q3g s GLY 37 N -2.00 1.69 0.13 -0.02 0.00 -0.41 -4.76 107.32 101.95 2q3g s GLY 37 Ca 0.00 -1.06 -0.14 0.00 0.00 0.00 0.00 44.72 43.52 2q3g s GLY 37 CO 0.00 -0.26 1.57 0.50 0.00 0.00 0.00 173.10 174.91 2q3g h LYS 38 N -2.00 0.74 -0.39 2.90 1.57 -1.79 -0.76 116.57 116.84 2q3g h LYS 38 Ca -0.45 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.06 2q3g h LYS 38 Cb 1.26 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 2q3g h LYS 38 CO 0.38 0.83 0.13 0.00 -0.57 0.00 0.00 179.45 180.22 2q3g h ALA 39 N 0.88 0.51 -0.60 3.86 0.00 -1.43 -1.56 119.26 120.93 2q3g h ALA 39 Ca 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2q3g h ALA 39 Cb 0.51 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2q3g h ALA 39 CO 0.02 0.15 0.33 0.00 0.00 0.00 0.00 179.25 179.76 2q3g h ALA 40 N 0.98 0.76 0.00 0.00 0.00 -1.75 -2.24 119.26 117.01 2q3g h ALA 40 Ca 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2q3g h ALA 40 Cb 0.24 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2q3g h ALA 40 CO -0.01 0.27 -0.15 1.96 0.00 0.00 0.00 179.25 181.33 2q3g h GLN 41 N 0.81 0.00 0.00 0.00 1.08 -0.95 -1.73 115.11 114.32 2q3g h GLN 41 Ca 0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 2q3g h GLN 41 Cb 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 2q3g h GLN 41 CO -0.04 0.15 0.00 0.00 -0.95 0.00 0.00 178.83 178.00 2q3g n ALA 42 N -2.45 2.25 -0.20 3.87 0.00 -0.60 -4.91 120.51 118.46 2q3g n ALA 42 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2q3g n ALA 42 Cb 0.23 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.24 2q3g n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2q3g n GLY 43 N 1.22 0.89 3.77 0.00 0.00 -0.65 -4.99 105.19 105.43 2q3g n GLY 43 Ca 0.08 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 2q3g n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2q3g s VAL 44 N -2.00 3.08 0.06 1.61 1.01 -0.93 -5.04 120.40 118.20 2q3g s VAL 44 Ca 0.00 0.61 0.06 0.00 0.00 0.00 0.00 61.98 62.65 2q3g s VAL 44 Cb 0.00 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 2q3g s VAL 44 CO 0.00 -0.21 -0.16 0.00 0.00 0.00 0.00 175.10 174.74 2q3g s ALA 45 N -1.94 1.31 0.30 5.51 0.00 -1.26 -4.62 121.76 121.06 2q3g s ALA 45 Ca 0.72 -0.98 -0.29 0.00 0.00 0.00 0.00 51.96 51.40 2q3g s ALA 45 Cb -0.24 -0.16 -0.12 0.00 0.00 0.00 0.00 23.12 22.59 2q3g s ALA 45 CO 0.33 0.23 1.43 0.28 0.00 0.00 0.00 175.76 178.03 2q3g n VAL 46 N 1.50 1.43 0.00 0.00 0.31 -1.26 -1.72 118.33 118.59 2q3g n VAL 46 Ca -0.20 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 63.78 2q3g n VAL 46 Cb 0.54 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 2q3g n VAL 46 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2q3g n GLY 47 N 1.51 1.51 3.75 2.92 0.00 0.54 -5.00 105.19 110.42 2q3g n GLY 47 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2q3g n GLY 47 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2q3g s ASP 48 N -2.31 6.44 0.29 1.61 1.01 -0.70 -4.70 116.67 118.32 2q3g s ASP 48 Ca 0.00 2.87 -0.29 0.00 0.71 0.00 0.00 52.55 55.84 2q3g s ASP 48 Cb 0.00 -2.63 -0.10 0.00 1.01 0.00 0.00 42.92 41.21 2q3g s ASP 48 CO 0.00 -0.87 1.10 0.26 0.21 0.00 0.00 175.17 175.87 2q3g s TRP 49 N 0.10 3.53 -0.40 4.23 0.52 0.35 -0.98 118.94 126.30 2q3g s TRP 49 Ca 0.63 1.69 -0.18 0.00 0.02 0.00 0.00 56.10 58.26 2q3g s TRP 49 Cb -0.46 -3.29 0.01 0.00 -1.15 0.00 0.00 33.47 28.58 2q3g s TRP 49 CO 0.45 -0.61 0.46 0.08 0.02 0.00 0.00 176.95 177.36 2q3g s VAL 50 N -1.20 5.05 -0.03 4.03 1.01 -0.47 -1.20 120.40 127.59 2q3g s VAL 50 Ca 0.46 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 62.35 2q3g s VAL 50 Cb -0.31 -4.02 -0.25 0.00 0.00 0.00 0.00 36.38 31.80 2q3g s VAL 50 CO 0.40 -0.36 0.71 -0.07 0.00 0.00 0.00 175.10 175.78 2q3g h LEU 51 N 9.10 0.19 -7.24 3.92 3.38 -0.65 -3.43 115.31 120.58 2q3g h LEU 51 Ca -0.27 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 57.28 2q3g h LEU 51 Cb 1.12 -0.06 -0.18 0.00 0.09 0.00 0.00 40.66 41.63 2q3g h LEU 51 CO 0.79 1.30 -0.01 -0.94 0.09 0.00 0.00 178.44 179.67 2q3g s SER 52 N -6.59 -0.43 -0.12 -0.43 1.04 -1.00 -0.84 113.70 105.33 2q3g s SER 52 Ca -0.09 0.28 -0.02 0.00 0.48 0.00 0.00 55.95 56.60 2q3g s SER 52 Cb 0.08 0.46 0.04 0.00 0.10 0.00 0.00 66.02 66.69 2q3g s SER 52 CO 0.82 -0.63 0.01 -0.63 0.98 0.00 0.00 173.24 173.80 2q3g s ILE 53 N -1.88 0.46 -1.61 -1.02 1.01 -0.47 -1.41 121.20 116.28 2q3g s ILE 53 Ca -0.09 -0.15 -0.13 0.00 0.00 0.00 0.00 60.65 60.28 2q3g s ILE 53 Cb -0.01 -0.75 0.11 0.00 0.01 0.00 0.00 42.46 41.82 2q3g s ILE 53 CO 0.03 0.09 0.68 0.47 0.00 0.00 0.00 174.94 176.20 2q3g n ASP 54 N 5.10 -2.46 0.00 3.58 8.00 0.08 -1.03 116.55 129.82 2q3g n ASP 54 Ca -0.08 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.41 2q3g n ASP 54 Cb 0.49 -2.85 0.00 0.00 -0.02 0.00 0.00 41.12 38.74 2q3g n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2q3g n GLY 55 N -1.61 2.57 3.73 0.44 0.00 -1.26 -5.02 105.19 104.04 2q3g n GLY 55 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 2q3g n GLY 55 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2q3g s GLU 56 N -0.34 4.50 0.01 1.61 2.56 -0.20 -4.98 118.70 121.87 2q3g s GLU 56 Ca 0.00 1.11 -0.30 0.00 0.00 0.00 0.00 54.97 55.78 2q3g s GLU 56 Cb 0.00 -3.41 -0.07 0.00 2.00 0.00 0.00 34.13 32.64 2q3g s GLU 56 CO 0.00 0.13 1.74 1.21 -0.56 0.00 0.00 175.26 177.78 2q3g s ASN 57 N 0.48 6.58 0.27 -1.70 3.84 -1.26 -1.37 114.94 121.79 2q3g s ASN 57 Ca 0.42 2.45 0.25 0.00 0.21 0.00 0.00 52.86 56.19 2q3g s ASN 57 Cb -0.20 -2.54 0.91 0.00 -0.55 0.00 0.00 41.25 38.87 2q3g s ASN 57 CO 0.23 -0.95 1.75 0.00 -2.79 0.00 0.00 177.10 175.34 2q3g h ALA 58 N 9.42 1.00 0.00 1.71 0.00 -1.26 -3.15 119.26 126.98 2q3g h ALA 58 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2q3g h ALA 58 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2q3g h ALA 58 CO 0.94 0.00 0.00 0.78 0.00 0.00 0.00 179.25 180.97 2q3g h GLY 59 N 3.27 0.00 -2.52 0.00 0.00 -1.85 -2.06 103.07 99.91 2q3g h GLY 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2q3g h GLY 59 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.40 2q3g n SER 60 N -2.59 3.69 -4.68 0.19 3.41 -1.19 -4.75 113.62 107.70 2q3g n SER 60 Ca 0.00 -2.00 -0.35 0.00 -0.26 0.00 0.00 58.87 56.27 2q3g n SER 60 Cb 0.19 -0.44 -0.09 0.00 -0.26 0.00 0.00 64.21 63.61 2q3g n SER 60 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2q3g s LEU 61 N -1.06 3.64 0.98 1.04 1.43 -0.77 -5.00 118.68 118.94 2q3g s LEU 61 Ca 0.46 0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 53.58 2q3g s LEU 61 Cb 0.24 -1.85 0.18 0.00 0.03 0.00 0.00 46.19 44.79 2q3g s LEU 61 CO 0.32 0.34 1.08 0.42 0.23 0.00 0.00 176.35 178.74 2q3g s THR 62 N -0.65 2.35 0.16 5.49 -4.23 -1.26 -1.90 115.64 115.60 2q3g s THR 62 Ca 0.11 0.11 -0.19 0.00 -1.18 0.00 0.00 61.69 60.54 2q3g s THR 62 Cb -0.12 -2.45 0.06 0.00 1.34 0.00 0.00 72.50 71.33 2q3g s THR 62 CO 0.02 -0.15 1.66 -0.74 -0.54 0.00 0.00 174.62 174.88 2q3g h HIS 63 N -1.89 -0.30 -0.38 3.99 2.76 -1.88 -0.77 115.15 116.68 2q3g h HIS 63 Ca -0.52 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 57.55 2q3g h HIS 63 Cb 1.30 0.19 -0.01 0.00 1.55 0.00 0.00 27.41 30.43 2q3g h HIS 63 CO 0.38 -0.20 -0.30 0.82 -1.30 0.00 0.00 177.93 177.33 2q3g h ILE 64 N -0.07 1.28 -0.74 6.26 2.04 -1.92 -1.37 117.51 122.99 2q3g h ILE 64 Ca 0.17 -1.44 0.03 0.00 1.00 0.00 0.00 64.86 64.61 2q3g h ILE 64 Cb 0.32 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 2q3g h ILE 64 CO -0.38 0.48 0.49 -0.33 0.00 0.00 0.00 178.15 178.41 2q3g h GLU 65 N 0.69 0.90 -0.37 2.37 5.08 -1.81 0.62 114.58 122.06 2q3g h GLU 65 Ca 0.08 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 2q3g h GLU 65 Cb 0.84 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2q3g h GLU 65 CO 0.07 0.60 -0.01 0.00 -1.00 0.00 0.00 179.01 178.67 2q3g h ALA 66 N 1.56 0.51 -0.70 3.43 0.00 -0.74 -1.16 119.26 122.15 2q3g h ALA 66 Ca 0.29 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2q3g h ALA 66 Cb 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2q3g h ALA 66 CO -0.08 0.29 0.43 1.96 0.00 0.00 0.00 179.25 181.85 2q3g h GLN 67 N 0.49 0.82 -0.70 0.00 4.20 -0.69 -2.27 115.11 116.95 2q3g h GLN 67 Ca 0.10 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 2q3g h GLN 67 Cb 0.48 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 2q3g h GLN 67 CO 0.02 0.54 0.23 -0.91 -0.67 0.00 0.00 178.83 178.05 2q3g h ASN 68 N 0.85 0.99 -0.42 1.46 2.35 -0.71 0.13 115.58 120.22 2q3g h ASN 68 Ca 0.28 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 2q3g h ASN 68 Cb 0.03 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 2q3g h ASN 68 CO -0.11 0.91 0.21 0.50 -1.65 0.00 0.00 177.43 177.29 2q3g h LYS 69 N 1.03 0.65 -0.01 0.81 1.63 -0.69 0.47 116.57 120.46 2q3g h LYS 69 Ca 0.23 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 2q3g h LYS 69 Cb 0.27 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 2q3g h LYS 69 CO -0.01 0.52 -0.05 0.82 -3.45 0.00 0.00 179.45 177.28 2q3g h ILE 70 N 0.65 1.53 0.00 2.00 2.04 -1.04 -3.16 117.51 119.54 2q3g h ILE 70 Ca 0.16 -1.64 -0.05 0.00 1.00 0.00 0.00 64.86 64.34 2q3g h ILE 70 Cb 0.10 2.60 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 2q3g h ILE 70 CO -0.02 0.43 -0.23 0.03 0.00 0.00 0.00 178.15 178.36 2q3g h ARG 71 N -0.61 0.00 -0.64 2.37 3.08 -0.57 -2.47 114.38 115.54 2q3g h ARG 71 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2q3g h ARG 71 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 2q3g h ARG 71 CO 0.01 0.23 0.00 0.00 -1.07 0.00 0.00 179.97 179.14 2q3g n ALA 72 N -2.48 3.12 1.17 0.04 0.00 0.12 -4.62 120.51 117.86 2q3g n ALA 72 Ca -0.02 -1.41 0.14 0.00 0.00 0.00 0.00 53.44 52.16 2q3g n ALA 72 Cb 0.29 -1.04 0.67 0.00 0.00 0.00 0.00 19.45 19.37 2q3g n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2q3g n GLY 74 N 1.42 1.17 0.19 0.00 0.00 -1.26 -4.22 105.19 102.48 2q3g n GLY 74 Ca 0.10 -0.72 0.09 0.00 0.00 0.00 0.00 46.02 45.48 2q3g n GLY 74 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2q3g h GLU 75 N 0.00 0.00 -4.83 1.61 3.07 -1.96 -3.45 114.58 109.03 2q3g h GLU 75 Ca 0.00 0.00 -0.35 0.00 -0.50 0.00 0.00 59.36 58.51 2q3g h GLU 75 Cb 0.00 0.00 -0.23 0.00 -0.84 0.00 0.00 28.75 27.68 2q3g h GLU 75 CO 0.00 0.20 -0.76 1.03 -1.40 0.00 0.00 179.01 178.08 2q3g s ARG 76 N -3.15 0.66 -0.18 2.33 0.52 -1.26 -0.17 118.95 117.70 2q3g s ARG 76 Ca 0.05 -0.69 0.00 0.00 -0.52 0.00 0.00 55.73 54.58 2q3g s ARG 76 Cb 0.06 -0.56 0.04 0.00 0.52 0.00 0.00 34.95 35.01 2q3g s ARG 76 CO 0.69 0.13 -0.10 -1.17 0.02 0.00 0.00 175.30 174.87 2q3g s LEU 77 N -1.25 1.98 -0.18 2.53 2.96 -0.44 -4.91 118.68 119.37 2q3g s LEU 77 Ca -0.04 -0.73 -0.10 0.00 -0.22 0.00 0.00 54.13 53.04 2q3g s LEU 77 Cb -0.08 -1.14 -0.05 0.00 0.50 0.00 0.00 46.19 45.42 2q3g s LEU 77 CO 0.01 -0.13 0.16 -0.94 -1.32 0.00 0.00 176.35 174.13 2q3g s SER 78 N 1.47 6.28 -0.11 3.68 1.04 -1.26 -0.29 113.70 124.51 2q3g s SER 78 Ca 0.01 0.32 0.02 0.00 0.48 0.00 0.00 55.95 56.78 2q3g s SER 78 Cb -0.15 -2.10 0.01 0.00 0.10 0.00 0.00 66.02 63.88 2q3g s SER 78 CO -0.09 0.21 -0.16 -0.76 0.98 0.00 0.00 173.24 173.42 2q3g s LEU 79 N 0.13 1.75 -0.14 2.42 1.43 -0.05 -0.75 118.68 123.47 2q3g s LEU 79 Ca 0.11 -0.44 -0.16 0.00 -1.03 0.00 0.00 54.13 52.60 2q3g s LEU 79 Cb -0.12 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 2q3g s LEU 79 CO 0.00 0.02 0.39 -0.83 0.23 0.00 0.00 176.35 176.16 2q3g s GLY 80 N 1.00 2.29 0.17 -3.19 0.00 -0.50 -1.41 107.32 105.69 2q3g s GLY 80 Ca -0.06 -0.33 0.05 0.00 0.00 0.00 0.00 44.72 44.38 2q3g s GLY 80 CO -0.02 0.62 -0.10 1.08 0.00 0.00 0.00 173.10 174.68 2q3g s LEU 81 N 0.59 2.49 -0.02 0.66 1.43 0.36 0.10 118.68 124.30 2q3g s LEU 81 Ca 0.21 -1.04 -0.00 0.00 -1.03 0.00 0.00 54.13 52.27 2q3g s LEU 81 Cb -0.14 -0.39 0.02 0.00 0.03 0.00 0.00 46.19 45.71 2q3g s LEU 81 CO 0.07 -0.33 0.03 -0.55 0.23 0.00 0.00 176.35 175.80 2q3g s SER 82 N -3.21 0.02 -0.10 2.29 0.15 -0.34 -1.15 113.70 111.35 2q3g s SER 82 Ca 0.19 0.05 0.03 0.00 0.70 0.00 0.00 55.95 56.92 2q3g s SER 82 Cb 0.02 -0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.33 2q3g s SER 82 CO 0.02 -0.08 -0.21 -0.60 1.20 0.00 0.00 173.24 173.58 2q3g s ARG 83 N 0.61 2.79 0.08 5.44 3.52 -0.06 -0.49 118.95 130.84 2q3g s ARG 83 Ca -0.05 -0.78 -0.31 0.00 -0.13 0.00 0.00 55.73 54.46 2q3g s ARG 83 Cb -0.07 -2.17 -0.09 0.00 -1.56 0.00 0.00 34.95 31.06 2q3g s ARG 83 CO -0.02 0.10 1.74 0.00 -0.81 0.00 0.00 175.30 176.32 2q3g s ALA 84 N 0.53 3.70 -0.96 6.12 0.00 -1.26 -0.72 121.76 129.17 2q3g s ALA 84 Ca -0.15 1.29 -0.03 0.00 0.00 0.00 0.00 51.96 53.06 2q3g s ALA 84 Cb -0.17 -3.74 0.24 0.00 0.00 0.00 0.00 23.12 19.46 2q3g s ALA 84 CO 0.05 -1.21 0.93 -0.89 0.00 0.00 0.00 175.76 174.64 2q3g n ILE 85 N 4.86 3.57 -3.81 0.00 2.08 -1.26 -4.92 119.36 119.88 2q3g n ILE 85 Ca 0.17 -5.26 -0.33 0.00 0.56 0.00 0.00 62.75 57.90 2q3g n ILE 85 Cb 0.40 -2.39 -0.05 0.00 -0.75 0.00 0.00 39.64 36.85 2q3g n ILE 85 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 2q3g s THR 86 N -1.53 5.32 0.29 1.39 -4.23 -1.26 -4.90 115.64 110.72 2q3g s THR 86 Ca 0.29 -0.06 -0.17 0.00 -1.18 0.00 0.00 61.69 60.57 2q3g s THR 86 Cb -0.06 -3.59 -0.09 0.00 1.34 0.00 0.00 72.50 70.10 2q3g s THR 86 CO -0.09 0.23 0.75 -0.55 -0.54 0.00 0.00 174.62 174.41 2q3g s SER 87 N -2.12 6.90 0.00 3.99 0.15 -1.26 -5.25 113.70 116.11 2q3g s SER 87 Ca 0.32 1.37 0.26 0.00 0.70 0.00 0.00 55.95 58.61 2q3g s SER 87 Cb -0.13 -2.40 1.58 0.00 -1.71 0.00 0.00 66.02 63.36 2q3g s SER 87 CO 0.22 -0.13 1.93 0.18 1.20 0.00 0.00 173.24 176.64