#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q3g s MET 1 N 0.00 0.26 -0.15 1.43 1.00 -1.26 -1.00 119.30 119.59 2q3g s MET 1 Ca 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 55.69 55.28 2q3g s MET 1 Cb 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 34.83 34.75 2q3g s MET 1 CO 0.00 0.00 -0.09 -0.51 0.00 0.00 0.00 175.02 174.42 2q3g s ASP 2 N -0.85 4.31 0.12 3.03 1.01 0.05 -4.89 116.67 119.46 2q3g s ASP 2 Ca -0.08 -0.27 -0.09 0.00 0.71 0.00 0.00 52.55 52.83 2q3g s ASP 2 Cb -0.06 -1.68 -0.06 0.00 1.01 0.00 0.00 42.92 42.13 2q3g s ASP 2 CO -0.00 0.15 0.43 -0.94 0.21 0.00 0.00 175.17 175.01 2q3g s SER 3 N 0.46 6.61 0.29 0.27 1.04 -1.26 -0.81 113.70 120.31 2q3g s SER 3 Ca -0.07 0.78 -0.21 0.00 0.48 0.00 0.00 55.95 56.94 2q3g s SER 3 Cb -0.15 -2.17 0.02 0.00 0.10 0.00 0.00 66.02 63.82 2q3g s SER 3 CO 0.04 0.10 0.73 0.72 0.98 0.00 0.00 173.24 175.81 2q3g s PHE 4 N -1.53 -0.16 -0.01 5.02 -0.12 -0.37 -4.98 117.98 115.82 2q3g s PHE 4 Ca 0.38 -0.32 0.04 0.00 -0.05 0.00 0.00 56.93 56.98 2q3g s PHE 4 Cb -0.13 0.72 -0.01 0.00 -0.63 0.00 0.00 43.02 42.97 2q3g s PHE 4 CO 0.20 -1.26 -0.12 0.21 -0.05 0.00 0.00 175.22 174.20 2q3g s LYS 5 N -3.77 0.96 0.15 1.99 2.36 -1.26 -0.64 119.74 119.53 2q3g s LYS 5 Ca 0.11 -0.43 0.07 0.00 -2.55 0.00 0.00 55.97 53.17 2q3g s LYS 5 Cb -0.06 -0.93 -0.04 0.00 -1.05 0.00 0.00 37.83 35.75 2q3g s LYS 5 CO 0.07 0.26 -0.15 0.14 1.55 0.00 0.00 175.35 177.22 2q3g s VAL 6 N -0.29 1.51 -0.13 4.02 -7.23 -0.55 -5.02 120.40 112.71 2q3g s VAL 6 Ca 0.05 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 2q3g s VAL 6 Cb -0.05 -1.70 0.02 0.00 0.56 0.00 0.00 36.38 35.22 2q3g s VAL 6 CO -0.00 -0.43 -0.13 -0.69 -0.31 0.00 0.00 175.10 173.54 2q3g s VAL 7 N -2.28 1.41 -0.04 1.32 1.01 -1.26 -0.83 120.40 119.74 2q3g s VAL 7 Ca 0.13 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.48 2q3g s VAL 7 Cb -0.04 -1.34 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 2q3g s VAL 7 CO 0.04 0.43 0.26 -0.76 0.00 0.00 0.00 175.10 175.08 2q3g s LEU 8 N 1.47 4.41 -0.24 3.92 1.43 0.42 -4.93 118.68 125.16 2q3g s LEU 8 Ca 0.03 0.64 -0.08 0.00 -1.03 0.00 0.00 54.13 53.70 2q3g s LEU 8 Cb -0.13 -2.44 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 2q3g s LEU 8 CO -0.09 0.33 0.09 -1.61 0.23 0.00 0.00 176.35 175.30 2q3g s GLU 9 N -1.31 3.80 1.16 1.70 2.02 -1.26 -1.24 118.70 123.57 2q3g s GLU 9 Ca 0.22 -0.41 -0.20 0.00 0.02 0.00 0.00 54.97 54.61 2q3g s GLU 9 Cb -0.14 -3.36 0.28 0.00 0.10 0.00 0.00 34.13 31.02 2q3g s GLU 9 CO 0.11 -0.06 1.16 0.41 0.02 0.00 0.00 175.26 176.90 2q3g n GLY 10 N 4.56 -2.42 3.83 -1.39 0.00 0.74 -4.86 105.19 105.64 2q3g n GLY 10 Ca -0.16 -1.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.00 2q3g n GLY 10 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2q3g s PRO 11 N -5.60 2.91 0.74 1.61 0.04 -1.26 -5.03 135.00 128.40 2q3g s PRO 11 Ca 0.72 0.87 -0.17 0.00 0.04 0.00 0.00 61.00 62.46 2q3g s PRO 11 Cb -0.06 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 2q3g s PRO 11 CO 0.54 -1.10 0.06 0.00 0.04 0.00 0.00 177.00 176.54 2q3g n ALA 12 N -3.12 -2.85 -1.83 8.56 0.00 -1.26 -4.75 120.51 115.27 2q3g n ALA 12 Ca 0.07 -0.31 -0.33 0.00 0.00 0.00 0.00 53.44 52.88 2q3g n ALA 12 Cb 0.54 -1.58 -0.05 0.00 0.00 0.00 0.00 19.45 18.36 2q3g n ALA 12 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2q3g s PRO 13 N -2.19 4.08 0.13 0.00 0.04 -1.26 -5.12 135.00 130.68 2q3g s PRO 13 Ca 0.57 1.06 0.20 0.00 0.04 0.00 0.00 61.00 62.87 2q3g s PRO 13 Cb -0.34 -2.16 -0.08 0.00 0.04 0.00 0.00 34.50 31.97 2q3g s PRO 13 CO 0.66 -0.16 0.91 0.91 0.04 0.00 0.00 177.00 179.36 2q3g n TRP 14 N -1.08 0.93 -1.21 0.56 7.02 -1.26 -4.67 117.44 117.73 2q3g n TRP 14 Ca 0.07 0.29 0.00 0.00 -1.02 0.00 0.00 57.50 56.84 2q3g n TRP 14 Cb 0.54 -1.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.43 2q3g n TRP 14 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2q3g n GLY 15 N 1.28 0.99 3.38 6.99 0.00 -1.26 -1.08 105.19 115.49 2q3g n GLY 15 Ca -0.05 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.48 -0.16 0.06 1.61 -0.12 -1.26 -1.21 117.98 114.42 2q3g s PHE 16 Ca 0.00 -0.16 0.09 0.00 -0.05 0.00 0.00 56.93 56.81 2q3g s PHE 16 Cb 0.00 0.29 -0.03 0.00 -0.63 0.00 0.00 43.02 42.65 2q3g s PHE 16 CO 0.00 -0.77 -0.25 0.50 -0.05 0.00 0.00 175.22 174.65 2q3g s ARG 17 N -3.83 1.59 0.22 1.99 3.52 -0.53 -5.00 118.95 116.92 2q3g s ARG 17 Ca 0.05 -1.12 0.01 0.00 -0.13 0.00 0.00 55.73 54.54 2q3g s ARG 17 Cb 0.01 -1.82 -0.04 0.00 -1.56 0.00 0.00 34.95 31.54 2q3g s ARG 17 CO -0.09 0.46 0.39 -0.51 -0.81 0.00 0.00 175.30 174.74 2q3g s LEU 18 N -1.42 4.23 0.09 -0.88 1.43 -1.26 -0.89 118.68 119.97 2q3g s LEU 18 Ca 0.11 0.32 0.02 0.00 -1.03 0.00 0.00 54.13 53.56 2q3g s LEU 18 Cb -0.10 -3.10 -0.04 0.00 0.03 0.00 0.00 46.19 42.98 2q3g s LEU 18 CO 0.03 -0.07 -0.08 0.00 0.23 0.00 0.00 176.35 176.46 2q3g s GLN 19 N -3.56 0.79 1.08 1.70 -2.07 -0.16 -4.71 119.66 112.73 2q3g s GLN 19 Ca 0.37 -1.18 0.00 0.00 -1.82 0.00 0.00 55.36 52.74 2q3g s GLN 19 Cb -0.10 -0.33 0.00 0.00 -1.09 0.00 0.00 33.01 31.49 2q3g s GLN 19 CO 0.30 0.03 0.00 0.41 -1.32 0.00 0.00 175.29 174.71 2q3g n GLY 20 N 0.41 -1.81 0.00 2.60 0.00 -1.26 -1.08 105.19 104.04 2q3g n GLY 20 Ca -0.15 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 2.76 0.25 -0.02 0.00 -0.68 -4.07 105.19 103.44 2q3g n GLY 21 Ca 0.00 -1.95 0.12 0.00 0.00 0.00 0.00 46.02 44.19 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 0.00 1.61 2.10 -1.65 -0.05 116.57 118.58 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 0.15 0.00 -0.40 -2.00 0.00 0.00 179.45 177.20 2q3g n ASP 23 N -3.53 0.00 -4.95 7.07 5.75 -1.26 -4.84 116.55 114.79 2q3g n ASP 23 Ca -0.01 0.37 -0.23 0.00 -0.01 0.00 0.00 54.79 54.91 2q3g n ASP 23 Cb 0.30 -0.46 0.02 0.00 -1.03 0.00 0.00 41.12 39.95 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 -2.91 1.62 -1.76 2.11 0.08 -0.03 -5.04 117.98 112.03 2q3g s PHE 24 Ca 0.16 -0.77 0.20 0.00 0.12 0.00 0.00 56.93 56.64 2q3g s PHE 24 Cb 0.19 -2.05 0.61 0.00 -0.57 0.00 0.00 43.02 41.20 2q3g s PHE 24 CO 0.50 -0.72 1.51 0.09 -0.10 0.00 0.00 175.22 176.51 2q3g n ASN 25 N -1.94 3.84 -4.07 1.36 3.02 -1.26 -4.79 115.26 111.42 2q3g n ASN 25 Ca 0.05 -2.12 -0.14 0.00 -0.03 0.00 0.00 54.58 52.34 2q3g n ASN 25 Cb 0.63 -0.48 -0.12 0.00 -0.61 0.00 0.00 39.78 39.20 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 -1.31 0.64 0.97 2.41 -7.23 -1.26 -5.10 120.40 109.52 2q3g s VAL 26 Ca 0.46 -1.03 -0.13 0.00 -1.81 0.00 0.00 61.98 59.47 2q3g s VAL 26 Cb 0.25 -0.67 0.17 0.00 0.56 0.00 0.00 36.38 36.69 2q3g s VAL 26 CO 0.28 -0.29 1.13 -2.84 -0.31 0.00 0.00 175.10 173.08 2q3g s PRO 27 N -1.44 0.70 0.27 4.82 0.02 -1.26 -1.69 135.00 136.42 2q3g s PRO 27 Ca -0.07 0.27 -0.29 0.00 0.02 0.00 0.00 61.00 60.92 2q3g s PRO 27 Cb -0.09 -1.79 -0.10 0.00 0.02 0.00 0.00 34.50 32.54 2q3g s PRO 27 CO 0.01 -2.49 1.26 -1.17 -0.33 0.00 0.00 177.00 174.27 2q3g s LEU 28 N -6.22 4.45 0.18 -5.54 2.96 -1.26 -4.01 118.68 109.24 2q3g s LEU 28 Ca 0.65 2.48 -0.12 0.00 -0.22 0.00 0.00 54.13 56.93 2q3g s LEU 28 Cb -0.15 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.92 2q3g s LEU 28 CO 0.55 -0.44 0.38 -0.94 -1.32 0.00 0.00 176.35 174.57 2q3g s SER 29 N -0.26 -0.07 -0.26 3.68 1.04 -0.24 -1.08 113.70 116.50 2q3g s SER 29 Ca 0.51 -0.73 -0.27 0.00 0.48 0.00 0.00 55.95 55.94 2q3g s SER 29 Cb -0.37 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.25 2q3g s SER 29 CO 0.45 -0.96 0.97 -0.63 0.98 0.00 0.00 173.24 174.05 2q3g s ILE 30 N -3.93 4.69 -0.06 -1.02 -1.09 -0.05 -0.98 121.20 118.75 2q3g s ILE 30 Ca 0.14 1.76 0.21 0.00 -2.23 0.00 0.00 60.65 60.54 2q3g s ILE 30 Cb 0.02 -4.27 -0.32 0.00 -1.58 0.00 0.00 42.46 36.30 2q3g s ILE 30 CO -0.01 -0.23 0.44 -1.54 -1.23 0.00 0.00 174.94 172.37 2q3g n SER 31 N 6.36 0.02 -3.66 3.58 3.41 -0.07 -0.34 113.62 122.92 2q3g n SER 31 Ca 0.10 0.01 -0.15 0.00 -0.26 0.00 0.00 58.87 58.57 2q3g n SER 31 Cb 0.47 1.84 -0.08 0.00 -0.26 0.00 0.00 64.21 66.18 2q3g n SER 31 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2q3g s ARG 32 N -3.39 0.76 -0.02 4.33 3.52 -1.22 -4.87 118.95 118.06 2q3g s ARG 32 Ca -0.08 0.42 0.04 0.00 -0.13 0.00 0.00 55.73 55.98 2q3g s ARG 32 Cb 0.13 0.36 -0.01 0.00 -1.56 0.00 0.00 34.95 33.87 2q3g s ARG 32 CO 0.90 -0.17 -0.13 -0.51 -0.81 0.00 0.00 175.30 174.58 2q3g s LEU 33 N -0.46 1.93 -0.12 -0.88 1.43 -1.26 -1.45 118.68 117.87 2q3g s LEU 33 Ca -0.06 -0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 52.49 2q3g s LEU 33 Cb -0.03 -0.73 -0.03 0.00 0.03 0.00 0.00 46.19 45.43 2q3g s LEU 33 CO 0.04 0.14 1.38 -0.89 0.23 0.00 0.00 176.35 177.24 2q3g s THR 34 N -0.10 4.06 0.20 5.49 2.01 -0.35 -4.97 115.64 121.98 2q3g s THR 34 Ca 0.01 1.29 -0.33 0.00 0.31 0.00 0.00 61.69 62.98 2q3g s THR 34 Cb -0.08 -3.83 -0.13 0.00 0.01 0.00 0.00 72.50 68.47 2q3g s THR 34 CO 0.00 -0.11 1.65 -2.65 -0.69 0.00 0.00 174.62 172.82 2q3g n PRO 35 N 6.66 2.49 -0.70 4.92 -0.02 -1.26 -1.21 135.00 145.88 2q3g n PRO 35 Ca 0.15 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 2q3g n PRO 35 Cb 0.44 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 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 3.57 1.30 3.81 -1.23 0.00 -1.26 -5.01 105.19 106.37 2q3g n GLY 36 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 1.70 0.13 -0.02 0.00 -0.35 -4.75 107.32 102.03 2q3g s GLY 37 Ca 0.00 -1.08 -0.15 0.00 0.00 0.00 0.00 44.72 43.49 2q3g s GLY 37 CO 0.00 -0.28 1.61 0.50 0.00 0.00 0.00 173.10 174.93 2q3g h LYS 38 N -1.95 0.70 -0.27 2.90 1.57 -1.79 -0.29 116.57 117.44 2q3g h LYS 38 Ca -0.45 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.14 2q3g h LYS 38 Cb 1.26 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 2q3g h LYS 38 CO 0.38 0.74 0.14 0.00 -0.57 0.00 0.00 179.45 180.13 2q3g h ALA 39 N 0.94 0.35 -0.58 3.86 0.00 -1.36 -1.21 119.26 121.25 2q3g h ALA 39 Ca 0.13 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2q3g h ALA 39 Cb 0.37 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2q3g h ALA 39 CO 0.01 -0.10 0.37 0.00 0.00 0.00 0.00 179.25 179.53 2q3g h ALA 40 N 1.00 0.74 0.00 0.00 0.00 -1.75 -2.10 119.26 117.16 2q3g h ALA 40 Ca 0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2q3g h ALA 40 Cb 0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2q3g h ALA 40 CO -0.01 0.14 -0.21 1.96 0.00 0.00 0.00 179.25 181.12 2q3g h GLN 41 N 0.75 0.00 0.00 0.00 1.08 -0.82 -1.78 115.11 114.34 2q3g h GLN 41 Ca 0.22 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 2q3g h GLN 41 Cb -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 2q3g h GLN 41 CO -0.06 0.21 0.00 0.00 -0.95 0.00 0.00 178.83 178.03 2q3g n ALA 42 N -2.41 2.22 0.00 3.87 0.00 -0.48 -4.91 120.51 118.80 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 0.29 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 1.14 1.01 3.79 0.00 0.00 -0.67 -4.98 105.19 105.48 2q3g n GLY 43 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 3.49 0.06 1.61 1.01 -0.84 -5.03 120.40 118.70 2q3g s VAL 44 Ca 0.00 0.89 0.05 0.00 0.00 0.00 0.00 61.98 62.92 2q3g s VAL 44 Cb 0.00 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 2q3g s VAL 44 CO 0.00 -0.23 -0.14 0.00 0.00 0.00 0.00 175.10 174.72 2q3g s ALA 45 N -1.95 1.17 0.19 5.51 0.00 -1.26 -4.55 121.76 120.87 2q3g s ALA 45 Ca 0.69 -0.93 -0.33 0.00 0.00 0.00 0.00 51.96 51.40 2q3g s ALA 45 Cb -0.20 -0.13 -0.14 0.00 0.00 0.00 0.00 23.12 22.65 2q3g s ALA 45 CO 0.26 0.19 1.48 0.28 0.00 0.00 0.00 175.76 177.96 2q3g n VAL 46 N 1.53 0.47 0.00 0.00 0.31 -1.26 -1.87 118.33 117.51 2q3g n VAL 46 Ca -0.20 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 2q3g n VAL 46 Cb 0.54 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.02 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 2.74 1.22 3.74 2.92 0.00 0.54 -5.01 105.19 111.33 2q3g n GLY 47 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.70 6.44 0.35 1.61 1.01 -0.78 -4.71 116.67 118.89 2q3g s ASP 48 Ca 0.00 2.85 -0.26 0.00 0.71 0.00 0.00 52.55 55.85 2q3g s ASP 48 Cb 0.00 -2.62 -0.09 0.00 1.01 0.00 0.00 42.92 41.22 2q3g s ASP 48 CO 0.00 -0.89 1.05 0.26 0.21 0.00 0.00 175.17 175.80 2q3g s TRP 49 N 0.46 3.43 -0.40 4.23 0.52 0.32 -0.87 118.94 126.62 2q3g s TRP 49 Ca 0.67 1.68 -0.16 0.00 0.02 0.00 0.00 56.10 58.31 2q3g s TRP 49 Cb -0.47 -3.16 0.01 0.00 -1.15 0.00 0.00 33.47 28.71 2q3g s TRP 49 CO 0.41 -0.50 0.39 0.08 0.02 0.00 0.00 176.95 177.35 2q3g s VAL 50 N -1.47 5.15 -0.05 4.03 1.01 -0.24 -1.24 120.40 127.59 2q3g s VAL 50 Ca 0.52 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.18 2q3g s VAL 50 Cb -0.25 -3.96 -0.25 0.00 0.00 0.00 0.00 36.38 31.91 2q3g s VAL 50 CO 0.32 -0.32 0.64 -0.07 0.00 0.00 0.00 175.10 175.67 2q3g h LEU 51 N 8.89 0.25 -7.32 3.92 3.38 -0.75 -3.43 115.31 120.25 2q3g h LEU 51 Ca -0.27 -0.47 -0.09 0.00 0.09 0.00 0.00 57.88 57.13 2q3g h LEU 51 Cb 1.12 -0.08 -0.19 0.00 0.09 0.00 0.00 40.66 41.59 2q3g h LEU 51 CO 0.76 1.42 -0.10 -0.94 0.09 0.00 0.00 178.44 179.66 2q3g s SER 52 N -6.68 -0.36 -0.15 -0.43 1.04 -0.93 -0.72 113.70 105.46 2q3g s SER 52 Ca -0.12 0.29 -0.02 0.00 0.48 0.00 0.00 55.95 56.59 2q3g s SER 52 Cb 0.07 0.40 0.05 0.00 0.10 0.00 0.00 66.02 66.64 2q3g s SER 52 CO 0.82 -0.53 -0.00 -0.63 0.98 0.00 0.00 173.24 173.87 2q3g s ILE 53 N -1.41 0.70 -1.65 -1.02 1.01 -0.41 -1.44 121.20 116.99 2q3g s ILE 53 Ca -0.12 -0.42 -0.16 0.00 0.00 0.00 0.00 60.65 59.95 2q3g s ILE 53 Cb -0.03 -1.00 0.13 0.00 0.01 0.00 0.00 42.46 41.57 2q3g s ILE 53 CO 0.05 0.02 0.78 0.47 0.00 0.00 0.00 174.94 176.27 2q3g n ASP 54 N 5.01 -3.24 0.00 3.58 8.00 0.18 -1.12 116.55 128.97 2q3g n ASP 54 Ca -0.09 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.43 2q3g n ASP 54 Cb 0.48 -2.96 0.00 0.00 -0.02 0.00 0.00 41.12 38.62 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 -1.50 2.70 3.74 0.44 0.00 -1.26 -5.02 105.19 104.29 2q3g n GLY 55 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.47 4.60 -0.09 1.61 2.12 -0.27 -4.97 118.70 121.22 2q3g s GLU 56 Ca 0.00 1.26 -0.29 0.00 0.36 0.00 0.00 54.97 56.30 2q3g s GLU 56 Cb 0.00 -3.37 -0.05 0.00 0.26 0.00 0.00 34.13 30.98 2q3g s GLU 56 CO 0.00 0.26 1.64 1.21 -0.54 0.00 0.00 175.26 177.83 2q3g s ASN 57 N -0.07 6.60 0.54 -1.70 3.84 -1.26 -1.28 114.94 121.61 2q3g s ASN 57 Ca 0.43 2.10 0.32 0.00 0.21 0.00 0.00 52.86 55.92 2q3g s ASN 57 Cb -0.22 -2.53 1.31 0.00 -0.55 0.00 0.00 41.25 39.26 2q3g s ASN 57 CO 0.26 -1.00 1.97 0.00 -2.79 0.00 0.00 177.10 175.54 2q3g h ALA 58 N 9.81 1.01 0.00 1.71 0.00 -1.19 -2.66 119.26 127.93 2q3g h ALA 58 Ca -0.38 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2q3g h ALA 58 Cb 1.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2q3g h ALA 58 CO 0.96 0.04 0.00 0.78 0.00 0.00 0.00 179.25 181.03 2q3g h GLY 59 N 2.04 0.00 -1.63 0.00 0.00 -1.84 -2.02 103.07 99.62 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 -2.44 2.61 -4.59 0.19 3.41 -1.00 -4.76 113.62 107.03 2q3g n SER 60 Ca 0.00 -1.88 -0.34 0.00 -0.26 0.00 0.00 58.87 56.39 2q3g n SER 60 Cb 0.16 -0.20 -0.11 0.00 -0.26 0.00 0.00 64.21 63.81 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 -1.47 3.26 0.96 1.04 1.43 -0.76 -5.01 118.68 118.14 2q3g s LEU 61 Ca 0.35 -0.00 -0.12 0.00 -1.03 0.00 0.00 54.13 53.33 2q3g s LEU 61 Cb 0.20 -1.73 0.17 0.00 0.03 0.00 0.00 46.19 44.86 2q3g s LEU 61 CO 0.28 0.34 1.09 0.42 0.23 0.00 0.00 176.35 178.71 2q3g s THR 62 N -0.65 2.38 0.16 5.49 -4.23 -1.26 -1.84 115.64 115.68 2q3g s THR 62 Ca 0.10 0.12 -0.19 0.00 -1.18 0.00 0.00 61.69 60.54 2q3g s THR 62 Cb -0.12 -2.54 0.07 0.00 1.34 0.00 0.00 72.50 71.26 2q3g s THR 62 CO 0.02 -0.16 1.65 -0.74 -0.54 0.00 0.00 174.62 174.85 2q3g h HIS 63 N -1.80 -0.42 -0.46 3.99 2.76 -1.88 -1.04 115.15 116.30 2q3g h HIS 63 Ca -0.52 0.04 -0.12 0.00 -2.20 0.00 0.00 60.37 57.57 2q3g h HIS 63 Cb 1.30 0.24 -0.02 0.00 1.55 0.00 0.00 27.41 30.49 2q3g h HIS 63 CO 0.37 -0.25 -0.18 0.82 -1.30 0.00 0.00 177.93 177.40 2q3g h ILE 64 N -0.11 1.27 -0.80 6.26 2.04 -1.92 -1.42 117.51 122.82 2q3g h ILE 64 Ca 0.18 -1.31 0.01 0.00 1.00 0.00 0.00 64.86 64.74 2q3g h ILE 64 Cb 0.38 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 2q3g h ILE 64 CO -0.42 0.45 0.53 -0.33 0.00 0.00 0.00 178.15 178.38 2q3g h GLU 65 N 0.79 1.03 -0.35 2.37 5.08 -1.81 0.73 114.58 122.43 2q3g h GLU 65 Ca 0.11 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 2q3g h GLU 65 Cb 0.72 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2q3g h GLU 65 CO 0.06 0.68 -0.01 0.00 -1.00 0.00 0.00 179.01 178.74 2q3g h ALA 66 N 1.51 0.47 -0.64 3.43 0.00 -0.86 -0.95 119.26 122.22 2q3g h ALA 66 Ca 0.30 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2q3g h ALA 66 Cb -0.09 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 2q3g h ALA 66 CO -0.07 0.24 0.39 1.96 0.00 0.00 0.00 179.25 181.77 2q3g h GLN 67 N 0.43 0.74 -0.82 0.00 4.20 -0.66 -2.11 115.11 116.89 2q3g h GLN 67 Ca 0.10 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 2q3g h GLN 67 Cb 0.47 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 28.04 2q3g h GLN 67 CO 0.02 0.49 0.37 -0.91 -0.67 0.00 0.00 178.83 178.13 2q3g h ASN 68 N 0.76 1.09 -0.66 1.46 2.35 -0.70 0.11 115.58 119.98 2q3g h ASN 68 Ca 0.26 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2q3g h ASN 68 Cb 0.04 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.10 2q3g h ASN 68 CO -0.11 0.93 0.40 0.50 -1.65 0.00 0.00 177.43 177.49 2q3g h LYS 69 N 1.18 0.91 -0.01 0.81 1.63 -0.66 0.17 116.57 120.58 2q3g h LYS 69 Ca 0.28 -0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 59.99 2q3g h LYS 69 Cb 0.15 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.58 2q3g h LYS 69 CO -0.03 0.64 -0.04 0.82 -3.45 0.00 0.00 179.45 177.39 2q3g h ILE 70 N 0.92 1.47 0.00 2.00 2.04 -1.05 -3.14 117.51 119.76 2q3g h ILE 70 Ca 0.24 -1.45 -0.05 0.00 1.00 0.00 0.00 64.86 64.61 2q3g h ILE 70 Cb -0.03 2.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 2q3g h ILE 70 CO -0.04 0.38 -0.23 0.03 0.00 0.00 0.00 178.15 178.29 2q3g h ARG 71 N -0.53 0.00 -0.65 2.37 3.08 -0.59 -2.50 114.38 115.55 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 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 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 -2.45 3.20 1.22 0.04 0.00 0.01 -4.62 120.51 117.91 2q3g n ALA 72 Ca -0.02 -1.55 0.14 0.00 0.00 0.00 0.00 53.44 52.01 2q3g n ALA 72 Cb 0.29 -1.04 0.69 0.00 0.00 0.00 0.00 19.45 19.39 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 1.38 0.85 0.12 0.00 0.00 -1.26 -4.26 105.19 102.02 2q3g n GLY 74 Ca 0.11 -0.82 -0.02 0.00 0.00 0.00 0.00 46.02 45.30 2q3g n GLY 74 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2q3g h GLU 75 N 0.00 0.00 -5.06 1.61 4.81 -1.96 -3.45 114.58 110.52 2q3g h GLU 75 Ca 0.00 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.88 2q3g h GLU 75 Cb 0.00 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 29.19 2q3g h GLU 75 CO 0.00 0.67 -0.75 1.03 -0.73 0.00 0.00 179.01 179.24 2q3g s ARG 76 N -3.34 0.84 -0.21 1.92 0.52 -1.26 -0.19 118.95 117.23 2q3g s ARG 76 Ca -0.00 -1.09 0.00 0.00 -0.52 0.00 0.00 55.73 54.12 2q3g s ARG 76 Cb 0.11 -0.62 0.05 0.00 0.52 0.00 0.00 34.95 35.02 2q3g s ARG 76 CO 0.77 0.11 -0.06 -1.17 0.02 0.00 0.00 175.30 174.97 2q3g s LEU 77 N -2.23 2.16 -0.21 2.53 2.96 -0.37 -4.89 118.68 118.63 2q3g s LEU 77 Ca 0.03 -0.95 -0.13 0.00 -0.22 0.00 0.00 54.13 52.85 2q3g s LEU 77 Cb -0.05 -1.08 -0.04 0.00 0.50 0.00 0.00 46.19 45.51 2q3g s LEU 77 CO 0.01 -0.21 0.29 -0.94 -1.32 0.00 0.00 176.35 174.18 2q3g s SER 78 N 1.49 6.31 -0.15 3.68 1.04 -1.26 -0.44 113.70 124.37 2q3g s SER 78 Ca -0.03 0.35 0.02 0.00 0.48 0.00 0.00 55.95 56.77 2q3g s SER 78 Cb -0.17 -2.17 0.02 0.00 0.10 0.00 0.00 66.02 63.79 2q3g s SER 78 CO -0.07 0.00 -0.19 -0.76 0.98 0.00 0.00 173.24 173.20 2q3g s LEU 79 N 1.10 1.98 -0.15 2.42 1.43 -0.01 -0.64 118.68 124.81 2q3g s LEU 79 Ca 0.14 -0.57 -0.19 0.00 -1.03 0.00 0.00 54.13 52.48 2q3g s LEU 79 Cb -0.14 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 2q3g s LEU 79 CO 0.06 0.02 0.52 -0.83 0.23 0.00 0.00 176.35 176.35 2q3g s GLY 80 N 1.09 2.28 0.21 -3.19 0.00 -0.52 -1.47 107.32 105.71 2q3g s GLY 80 Ca -0.01 -0.24 0.04 0.00 0.00 0.00 0.00 44.72 44.51 2q3g s GLY 80 CO -0.07 0.95 -0.04 1.08 0.00 0.00 0.00 173.10 175.02 2q3g s LEU 81 N 1.08 2.34 -0.02 0.66 1.43 0.19 -0.02 118.68 124.34 2q3g s LEU 81 Ca 0.26 -1.15 -0.06 0.00 -1.03 0.00 0.00 54.13 52.16 2q3g s LEU 81 Cb -0.15 -0.36 0.01 0.00 0.03 0.00 0.00 46.19 45.71 2q3g s LEU 81 CO 0.11 -0.42 0.13 -0.55 0.23 0.00 0.00 176.35 175.85 2q3g s SER 82 N -3.29 -0.05 -0.07 2.29 0.15 -0.37 -1.24 113.70 111.13 2q3g s SER 82 Ca 0.25 0.02 0.04 0.00 0.70 0.00 0.00 55.95 56.96 2q3g s SER 82 Cb 0.04 0.25 -0.00 0.00 -1.71 0.00 0.00 66.02 64.60 2q3g s SER 82 CO 0.07 -0.22 -0.21 -0.60 1.20 0.00 0.00 173.24 173.49 2q3g s ARG 83 N -0.69 2.42 0.33 5.44 3.52 0.01 -0.53 118.95 129.46 2q3g s ARG 83 Ca -0.08 -0.74 -0.28 0.00 -0.13 0.00 0.00 55.73 54.49 2q3g s ARG 83 Cb -0.05 -1.95 -0.12 0.00 -1.56 0.00 0.00 34.95 31.27 2q3g s ARG 83 CO 0.01 0.21 1.34 0.00 -0.81 0.00 0.00 175.30 176.05 2q3g n ALA 84 N 3.36 1.47 -3.16 6.12 0.00 -1.26 -0.77 120.51 126.27 2q3g n ALA 84 Ca -0.19 0.37 -0.45 0.00 0.00 0.00 0.00 53.44 53.16 2q3g n ALA 84 Cb 0.53 -2.29 -0.04 0.00 0.00 0.00 0.00 19.45 17.65 2q3g n ALA 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2q3g s ILE 85 N -0.91 5.04 -1.04 0.00 1.01 -0.17 -4.83 121.20 120.30 2q3g s ILE 85 Ca 0.57 -1.50 -0.19 0.00 0.00 0.00 0.00 60.65 59.53 2q3g s ILE 85 Cb -0.56 -4.51 0.12 0.00 0.01 0.00 0.00 42.46 37.51 2q3g s ILE 85 CO 0.60 -1.13 1.32 -0.89 0.00 0.00 0.00 174.94 174.84 2q3g s THR 86 N 1.95 4.56 -0.03 2.92 2.01 -1.26 -4.56 115.64 121.22 2q3g s THR 86 Ca 0.15 -1.66 -0.30 0.00 0.31 0.00 0.00 61.69 60.20 2q3g s THR 86 Cb -0.19 -4.91 -0.03 0.00 0.01 0.00 0.00 72.50 67.38 2q3g s THR 86 CO -0.00 -1.68 1.16 -0.44 -0.69 0.00 0.00 174.62 172.96 2q3g s SER 87 N 3.82 7.11 0.00 3.53 0.01 -1.26 -5.22 113.70 121.69 2q3g s SER 87 Ca 0.40 1.81 0.18 0.00 1.31 0.00 0.00 55.95 59.65 2q3g s SER 87 Cb -0.02 -2.56 0.14 0.00 0.21 0.00 0.00 66.02 63.78 2q3g s SER 87 CO -0.06 -0.51 1.07 0.18 0.41 0.00 0.00 173.24 174.33