#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gtj s LYS 2 N 0.00 0.80 0.56 5.31 -0.14 -1.26 -5.14 119.74 119.88 2gtj s LYS 2 Ca 0.00 -1.22 -0.19 0.00 -1.36 0.00 0.00 55.97 53.20 2gtj s LYS 2 Cb 0.00 -0.30 -0.05 0.00 -1.68 0.00 0.00 37.83 35.80 2gtj s LYS 2 CO 0.00 0.01 1.12 0.15 -0.76 0.00 0.00 175.35 175.88 2gtj s LYS 3 N -3.30 3.28 -0.19 1.68 1.02 -1.26 -4.98 119.74 115.98 2gtj s LYS 3 Ca 0.08 1.56 -0.20 0.00 0.02 0.00 0.00 55.97 57.43 2gtj s LYS 3 Cb 0.01 -2.00 -0.17 0.00 -0.52 0.00 0.00 37.83 35.16 2gtj s LYS 3 CO -0.03 -0.90 0.18 0.93 -0.92 0.00 0.00 175.35 174.61 2gtj h GLU 4 N 1.00 0.00 -6.19 1.68 5.08 -2.09 -3.48 114.58 110.57 2gtj h GLU 4 Ca -0.49 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.53 2gtj h GLU 4 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2gtj h GLU 4 CO 0.56 0.82 -0.76 0.00 -1.00 0.00 0.00 179.01 178.63 2gtj n GLN 5 N -4.48 -1.06 -2.91 2.33 0.00 -1.26 -4.81 117.38 105.19 2gtj n GLN 5 Ca -0.26 0.51 -0.43 0.00 0.00 0.00 0.00 57.00 56.82 2gtj n GLN 5 Cb 0.59 -1.50 -0.05 0.00 0.00 0.00 0.00 30.24 29.28 2gtj n GLN 5 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2gtj s LYS 6 N -3.99 3.42 -0.54 2.61 1.02 -1.26 -4.97 119.74 116.03 2gtj s LYS 6 Ca 0.00 -0.07 -0.00 0.00 0.02 0.00 0.00 55.97 55.92 2gtj s LYS 6 Cb -0.00 -3.96 0.14 0.00 -0.52 0.00 0.00 37.83 33.49 2gtj s LYS 6 CO 0.61 -1.21 0.32 -2.00 -0.92 0.00 0.00 175.35 172.15 2gtj s GLU 7 N 3.52 2.23 0.00 1.68 2.12 -1.26 -4.74 118.70 122.24 2gtj s GLU 7 Ca 0.32 -2.40 0.00 0.00 0.36 0.00 0.00 54.97 53.25 2gtj s GLU 7 Cb -0.12 -3.55 0.00 0.00 0.26 0.00 0.00 34.13 30.72 2gtj s GLU 7 CO 0.23 -1.12 0.32 1.63 -0.54 0.00 0.00 175.26 175.78 2gtj n LYS 8 N 3.61 0.02 -4.06 4.30 5.02 -1.26 -5.03 118.16 120.76 2gtj n LYS 8 Ca 0.05 -0.32 -0.09 0.00 -2.02 0.00 0.00 58.31 55.93 2gtj n LYS 8 Cb 0.37 -0.80 -0.11 0.00 -0.02 0.00 0.00 35.03 34.47 2gtj n LYS 8 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2gtj s GLU 9 N -0.09 0.53 -0.15 1.97 2.56 -1.26 -5.03 118.70 117.22 2gtj s GLU 9 Ca 0.00 -0.95 0.15 0.00 0.00 0.00 0.00 54.97 54.17 2gtj s GLU 9 Cb 0.00 0.03 0.33 0.00 2.00 0.00 0.00 34.13 36.49 2gtj s GLU 9 CO 0.00 -0.05 1.17 1.63 -0.56 0.00 0.00 175.26 177.45 2gtj n LYS 10 N 0.83 1.29 -0.74 4.30 5.02 -1.26 -5.05 118.16 122.54 2gtj n LYS 10 Ca -0.19 -2.77 0.00 0.00 -2.02 0.00 0.00 58.31 53.33 2gtj n LYS 10 Cb 0.58 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 2gtj n LYS 10 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2gtj n LYS 11 N -1.17 -2.04 -0.68 1.97 5.02 -1.26 -4.89 118.16 115.11 2gtj n LYS 11 Ca 0.16 1.48 0.08 0.00 -2.02 0.00 0.00 58.31 58.01 2gtj n LYS 11 Cb 0.68 -1.62 0.34 0.00 -0.02 0.00 0.00 35.03 34.41 2gtj n LYS 11 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2gtj n GLU 12 N -0.07 4.00 0.22 1.97 -0.00 -1.26 -4.44 120.64 121.06 2gtj n GLU 12 Ca 0.00 -2.97 0.06 0.00 -0.00 0.00 0.00 57.16 54.25 2gtj n GLU 12 Cb 0.00 -2.03 0.54 0.00 -0.00 0.00 0.00 31.44 29.96 2gtj n GLU 12 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 2gtj h GLN 13 N 3.24 0.03 -0.92 3.44 1.08 -2.02 0.30 115.11 120.26 2gtj h GLN 13 Ca 0.00 -0.00 0.22 0.00 -1.45 0.00 0.00 58.65 57.41 2gtj h GLN 13 Cb 1.67 -0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 29.02 2gtj h GLN 13 CO 0.34 0.13 0.61 0.93 -0.95 0.00 0.00 178.83 179.90 2gtj h GLU 14 N 0.03 0.36 -0.10 1.46 4.39 -1.95 -1.80 114.58 116.96 2gtj h GLU 14 Ca 0.01 -0.02 -0.15 0.00 0.34 0.00 0.00 59.36 59.53 2gtj h GLU 14 Cb 0.20 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 2gtj h GLU 14 CO 0.01 0.24 -0.60 -0.84 -1.16 0.00 0.00 179.01 176.66 2gtj h ILE 15 N 0.37 1.36 -0.01 3.13 -0.00 -1.25 -0.26 117.51 120.86 2gtj h ILE 15 Ca 0.48 -1.93 -0.17 0.00 -0.00 0.00 0.00 64.86 63.24 2gtj h ILE 15 Cb 1.26 1.94 -0.02 0.00 -0.00 0.00 0.00 36.82 40.01 2gtj h ILE 15 CO -0.18 0.58 -0.76 0.11 -0.00 0.00 0.00 178.15 177.90 2gtj h LYS 16 N 0.26 0.07 0.00 0.16 6.56 -1.42 -2.43 116.57 119.77 2gtj h LYS 16 Ca -0.00 -0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.52 2gtj h LYS 16 Cb 1.12 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.80 2gtj h LYS 16 CO 0.10 0.80 -1.03 1.17 -2.06 0.00 0.00 179.45 178.43 2gtj n LYS 17 N -3.68 0.58 0.02 3.15 4.81 -1.11 -2.05 118.16 119.88 2gtj n LYS 17 Ca -0.02 0.10 -0.04 0.00 -0.87 0.00 0.00 58.31 57.49 2gtj n LYS 17 Cb 0.73 -1.80 -0.03 0.00 0.02 0.00 0.00 35.03 33.96 2gtj n LYS 17 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2gtj h LYS 18 N 0.00 -0.16 0.00 1.64 1.63 -0.89 -3.33 116.57 115.47 2gtj h LYS 18 Ca 0.00 0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.75 2gtj h LYS 18 Cb 0.98 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.63 2gtj h LYS 18 CO 0.00 0.00 -0.39 0.35 -3.45 0.00 0.00 179.45 175.96 2gtj h PHE 19 N -1.03 0.00 -4.04 1.91 3.04 -1.64 -3.49 116.94 111.70 2gtj h PHE 19 Ca -0.02 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.93 2gtj h PHE 19 Cb 0.23 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.74 2gtj h PHE 19 CO 0.03 0.28 -0.52 1.17 -2.02 0.00 0.00 178.31 177.25 2gtj n LYS 20 N -3.12 -1.78 -0.02 1.11 0.00 -1.02 -4.85 118.16 108.47 2gtj n LYS 20 Ca 0.02 1.66 -0.02 0.00 0.00 0.00 0.00 58.31 59.97 2gtj n LYS 20 Cb 0.65 -3.14 -0.01 0.00 0.00 0.00 0.00 35.03 32.53 2gtj n LYS 20 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2gtj n LEU 21 N 0.39 0.49 -3.16 3.14 7.99 -0.87 -5.03 117.00 119.96 2gtj n LEU 21 Ca -0.02 0.10 -0.14 0.00 -0.01 0.00 0.00 56.01 55.93 2gtj n LEU 21 Cb 0.03 -0.56 0.07 0.00 -0.11 0.00 0.00 43.42 42.85 2gtj n LEU 21 CO 0.22 -0.44 0.05 0.41 -1.51 0.00 0.00 177.39 176.11 2gtj n THR 22 N -2.99 -7.85 0.00 -5.08 -1.04 -1.26 -4.93 114.28 91.13 2gtj n THR 22 Ca -0.03 -1.06 0.00 0.00 -2.04 0.00 0.00 64.05 60.92 2gtj n THR 22 Cb 0.13 -5.92 0.00 0.00 -1.82 0.00 0.00 70.33 62.72 2gtj n THR 22 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2gtj n GLY 23 N -1.22 0.56 3.59 3.41 0.00 -1.26 -5.07 105.19 105.20 2gtj n GLY 23 Ca -0.12 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 2gtj n GLY 23 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2gtj s PRO 24 N -1.81 3.45 0.38 1.61 0.02 -1.26 -4.99 135.00 132.40 2gtj s PRO 24 Ca 0.00 0.85 0.06 0.00 0.02 0.00 0.00 61.00 61.93 2gtj s PRO 24 Cb 0.00 -4.08 0.06 0.00 0.02 0.00 0.00 34.50 30.50 2gtj s PRO 24 CO 0.00 -1.73 0.47 0.44 -0.33 0.00 0.00 177.00 175.85 2gtj n ILE 25 N 7.07 0.00 -4.03 2.83 -5.35 -1.26 -5.14 119.36 113.47 2gtj n ILE 25 Ca 0.16 -1.34 -0.10 0.00 -0.27 0.00 0.00 62.75 61.21 2gtj n ILE 25 Cb 0.48 -0.55 -0.06 0.00 -1.74 0.00 0.00 39.64 37.77 2gtj n ILE 25 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2gtj s GLN 26 N -3.70 1.53 -0.05 6.28 -2.07 -1.26 -5.11 119.66 115.27 2gtj s GLN 26 Ca 0.36 -1.34 -0.30 0.00 -1.82 0.00 0.00 55.36 52.26 2gtj s GLN 26 Cb -0.03 0.44 -0.02 0.00 -1.09 0.00 0.00 33.01 32.31 2gtj s GLN 26 CO 0.23 -0.62 1.02 0.08 -1.32 0.00 0.00 175.29 174.68 2gtj s VAL 27 N -3.96 4.74 -0.10 3.63 1.01 -1.26 -4.34 120.40 120.11 2gtj s VAL 27 Ca 0.25 1.99 -0.01 0.00 0.00 0.00 0.00 61.98 64.21 2gtj s VAL 27 Cb 0.00 -4.27 -0.25 0.00 0.00 0.00 0.00 36.38 31.86 2gtj s VAL 27 CO 0.10 0.07 0.44 -0.38 0.00 0.00 0.00 175.10 175.33 2gtj n ILE 28 N 4.29 1.73 -3.73 2.22 2.08 0.10 -4.99 119.36 121.06 2gtj n ILE 28 Ca 0.08 -0.70 -0.02 0.00 0.56 0.00 0.00 62.75 62.67 2gtj n ILE 28 Cb 0.49 -1.54 -0.01 0.00 -0.75 0.00 0.00 39.64 37.84 2gtj n ILE 28 CO 0.00 0.00 0.00 -1.00 0.56 0.00 0.00 176.55 176.11 2gtj s HIS 29 N -2.57 -0.09 -0.16 1.39 3.76 -1.16 -5.01 115.29 111.45 2gtj s HIS 29 Ca -0.18 -0.17 -0.03 0.00 -0.15 0.00 0.00 55.06 54.54 2gtj s HIS 29 Cb 0.07 0.62 -0.02 0.00 1.11 0.00 0.00 32.58 34.36 2gtj s HIS 29 CO 0.78 -0.70 -0.07 -0.51 -0.85 0.00 0.00 174.74 173.39 2gtj s LEU 30 N -2.99 2.99 0.23 0.89 1.02 -1.26 -0.26 118.68 119.31 2gtj s LEU 30 Ca 0.13 -0.26 0.05 0.00 0.02 0.00 0.00 54.13 54.08 2gtj s LEU 30 Cb 0.00 -1.72 -0.03 0.00 0.02 0.00 0.00 46.19 44.46 2gtj s LEU 30 CO 0.01 0.12 0.34 0.00 0.02 0.00 0.00 176.35 176.84 2gtj s ALA 31 N 0.66 3.91 -0.15 4.21 0.00 0.17 -0.30 121.76 130.25 2gtj s ALA 31 Ca -0.04 -1.23 -0.05 0.00 0.00 0.00 0.00 51.96 50.64 2gtj s ALA 31 Cb -0.15 -1.70 -0.03 0.00 0.00 0.00 0.00 23.12 21.24 2gtj s ALA 31 CO 0.02 0.26 0.00 0.21 0.00 0.00 0.00 175.76 176.26 2gtj s LYS 32 N -3.92 3.68 -0.36 0.00 2.20 0.14 0.69 119.74 122.18 2gtj s LYS 32 Ca 0.34 -0.44 -0.28 0.00 -0.36 0.00 0.00 55.97 55.23 2gtj s LYS 32 Cb -0.09 -3.00 -0.04 0.00 -1.51 0.00 0.00 37.83 33.19 2gtj s LYS 32 CO 0.29 0.32 2.03 0.00 -0.36 0.00 0.00 175.35 177.63 2gtj s ALA 33 N 0.18 2.53 -1.66 3.13 0.00 -1.26 -0.99 121.76 123.69 2gtj s ALA 33 Ca 0.01 0.25 0.26 0.00 0.00 0.00 0.00 51.96 52.47 2gtj s ALA 33 Cb -0.13 -4.13 0.63 0.00 0.00 0.00 0.00 23.12 19.49 2gtj s ALA 33 CO 0.02 -3.16 1.48 0.00 0.00 0.00 0.00 175.76 174.11 2gtj s ASP 36 N -0.97 6.22 0.22 0.00 -4.77 -1.26 -3.38 116.67 112.72 2gtj s ASP 36 Ca -0.11 -1.01 0.09 0.00 -3.30 0.00 0.00 52.55 48.23 2gtj s ASP 36 Cb -0.05 -2.32 -0.04 0.00 -1.09 0.00 0.00 42.92 39.42 2gtj s ASP 36 CO 0.02 -1.03 -0.08 0.54 0.70 0.00 0.00 175.17 175.32 2gtj s VAL 37 N 2.89 3.18 -0.23 2.11 0.11 -0.20 -4.90 120.40 123.36 2gtj s VAL 37 Ca 0.16 -1.82 0.11 0.00 -2.93 0.00 0.00 61.98 57.50 2gtj s VAL 37 Cb -0.20 -2.62 0.44 0.00 -1.53 0.00 0.00 36.38 32.47 2gtj s VAL 37 CO 0.11 -0.22 1.20 2.29 -3.33 0.00 0.00 175.10 175.15 2gtj n LYS 38 N -0.31 2.20 -0.01 1.54 0.00 -1.26 -1.96 118.16 118.35 2gtj n LYS 38 Ca -0.09 -3.53 0.00 0.00 -0.00 0.00 0.00 58.31 54.70 2gtj n LYS 38 Cb 0.57 -1.73 0.00 0.00 -0.00 0.00 0.00 35.03 33.87 2gtj n LYS 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2gtj n GLY 39 N -0.83 0.90 3.55 2.58 0.00 -1.21 -4.81 105.19 105.39 2gtj n GLY 39 Ca 0.26 -0.82 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 2gtj n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gtj s GLY 40 N -2.00 0.78 -0.48 -0.02 0.00 -1.26 -4.04 107.32 100.29 2gtj s GLY 40 Ca 0.00 -1.53 -0.16 0.00 0.00 0.00 0.00 44.72 43.03 2gtj s GLY 40 CO 0.00 2.91 0.62 1.17 0.00 0.00 0.00 173.10 177.81 2gtj n LYS 41 N 9.13 -2.17 -3.34 2.90 4.81 -1.26 -4.33 118.16 123.90 2gtj n LYS 41 Ca 0.20 1.93 -0.12 0.00 -0.87 0.00 0.00 58.31 59.45 2gtj n LYS 41 Cb 0.50 -5.19 0.00 0.00 0.02 0.00 0.00 35.03 30.36 2gtj n LYS 41 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2gtj n ASN 42 N -0.53 -6.58 -2.30 3.14 4.05 -1.26 -5.00 115.26 106.77 2gtj n ASN 42 Ca 0.07 -0.34 -0.09 0.00 0.45 0.00 0.00 54.58 54.66 2gtj n ASN 42 Cb 0.50 -3.74 -0.03 0.00 1.23 0.00 0.00 39.78 37.74 2gtj n ASN 42 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 2gtj n GLU 43 N -1.83 0.65 -3.75 1.20 2.13 -1.26 -4.43 120.64 113.35 2gtj n GLU 43 Ca -0.11 -1.35 -0.30 0.00 0.66 0.00 0.00 57.16 56.05 2gtj n GLU 43 Cb 0.58 0.82 -0.04 0.00 0.27 0.00 0.00 31.44 33.07 2gtj n GLU 43 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2gtj s LEU 44 N 0.00 4.29 -0.23 4.31 0.20 -1.23 -4.56 118.68 121.46 2gtj s LEU 44 Ca 0.10 0.45 -0.12 0.00 0.69 0.00 0.00 54.13 55.24 2gtj s LEU 44 Cb 0.00 -3.17 -0.05 0.00 -0.43 0.00 0.00 46.19 42.54 2gtj s LEU 44 CO 0.07 0.06 0.25 -0.44 -0.29 0.00 0.00 176.35 176.00 2gtj s SER 45 N -2.63 6.22 0.17 3.68 0.01 -1.26 -3.29 113.70 116.60 2gtj s SER 45 Ca 0.39 0.25 -0.22 0.00 1.31 0.00 0.00 55.95 57.67 2gtj s SER 45 Cb -0.12 -2.15 0.06 0.00 0.21 0.00 0.00 66.02 64.02 2gtj s SER 45 CO 0.27 0.00 0.60 0.72 0.41 0.00 0.00 173.24 175.24 2gtj s PHE 46 N 1.21 -0.49 0.14 2.43 -0.12 -0.83 -5.02 117.98 115.31 2gtj s PHE 46 Ca 0.12 0.25 0.10 0.00 -0.05 0.00 0.00 56.93 57.34 2gtj s PHE 46 Cb -0.14 0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 42.77 2gtj s PHE 46 CO 0.06 -0.88 -0.20 0.15 -0.05 0.00 0.00 175.22 174.30 2gtj s LYS 47 N -3.77 1.68 -0.05 1.99 1.02 -1.26 -1.03 119.74 118.33 2gtj s LYS 47 Ca 0.02 -1.29 -0.35 0.00 0.02 0.00 0.00 55.97 54.36 2gtj s LYS 47 Cb -0.01 -2.02 -0.13 0.00 -0.52 0.00 0.00 37.83 35.14 2gtj s LYS 47 CO -0.11 0.45 1.74 0.94 -0.92 0.00 0.00 175.35 177.46 2gtj n GLN 48 N 0.62 1.92 -0.46 1.68 7.27 -1.22 -1.55 117.38 125.64 2gtj n GLN 48 Ca -0.15 0.70 0.00 0.00 0.07 0.00 0.00 57.00 57.62 2gtj n GLN 48 Cb 0.54 -2.48 0.00 0.00 2.41 0.00 0.00 30.24 30.70 2gtj n GLN 48 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2gtj n GLY 49 N 3.98 0.73 0.08 1.69 0.00 0.59 -4.96 105.19 107.30 2gtj n GLY 49 Ca 0.22 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 2gtj n GLY 49 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2gtj h GLU 50 N 0.73 0.02 -1.06 1.61 5.08 -1.50 -3.47 114.58 115.99 2gtj h GLU 50 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2gtj h GLU 50 Cb 0.00 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2gtj h GLU 50 CO 0.00 0.65 -0.23 1.04 -1.00 0.00 0.00 179.01 179.47 2gtj n GLN 51 N -3.14 -1.25 -4.36 2.33 3.00 -1.26 -4.93 117.38 107.76 2gtj n GLN 51 Ca -0.14 0.94 -0.19 0.00 -0.01 0.00 0.00 57.00 57.60 2gtj n GLN 51 Cb 1.03 -0.99 -0.10 0.00 0.00 0.00 0.00 30.24 30.18 2gtj n GLN 51 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2gtj s ILE 52 N -1.12 1.27 -0.01 5.09 1.01 0.22 -4.77 121.20 122.88 2gtj s ILE 52 Ca 0.00 -2.07 0.05 0.00 0.00 0.00 0.00 60.65 58.63 2gtj s ILE 52 Cb 0.00 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 2gtj s ILE 52 CO 0.00 -0.33 -0.15 -1.61 0.00 0.00 0.00 174.94 172.85 2gtj s GLU 53 N -3.81 2.35 -0.24 2.79 2.02 0.35 0.45 118.70 122.61 2gtj s GLU 53 Ca 0.28 -0.80 -0.10 0.00 0.02 0.00 0.00 54.97 54.37 2gtj s GLU 53 Cb 0.05 -2.32 -0.05 0.00 0.10 0.00 0.00 34.13 31.92 2gtj s GLU 53 CO 0.10 0.59 0.15 -1.50 0.02 0.00 0.00 175.26 174.62 2gtj s ILE 54 N -0.82 5.24 -0.12 -1.63 1.10 0.65 -0.33 121.20 125.28 2gtj s ILE 54 Ca 0.13 0.14 0.00 0.00 -0.51 0.00 0.00 60.65 60.41 2gtj s ILE 54 Cb -0.11 -3.45 -0.08 0.00 0.15 0.00 0.00 42.46 38.98 2gtj s ILE 54 CO 0.03 0.34 -0.11 2.30 -2.11 0.00 0.00 174.94 175.38 2gtj n ILE 55 N 4.40 0.71 -4.22 2.00 -0.00 -0.62 0.01 119.36 121.63 2gtj n ILE 55 Ca -0.15 -0.26 -0.18 0.00 -0.00 0.00 0.00 62.75 62.16 2gtj n ILE 55 Cb 0.52 -0.99 -0.15 0.00 -0.00 0.00 0.00 39.64 39.02 2gtj n ILE 55 CO 0.00 0.00 0.00 -0.60 -0.00 0.00 0.00 176.55 175.95 2gtj s ARG 56 N -2.25 0.61 0.00 6.28 3.52 -1.22 -4.42 118.95 121.48 2gtj s ARG 56 Ca -0.17 -0.20 0.00 0.00 -0.13 0.00 0.00 55.73 55.24 2gtj s ARG 56 Cb 0.04 -0.61 0.00 0.00 -1.56 0.00 0.00 34.95 32.83 2gtj s ARG 56 CO 0.28 0.08 0.00 0.44 -0.81 0.00 0.00 175.30 175.29 2gtj n ILE 57 N 3.25 0.00 -3.68 4.11 -0.00 -1.26 -0.76 119.36 121.02 2gtj n ILE 57 Ca -0.17 0.00 -0.27 0.00 -0.00 0.00 0.00 62.75 62.31 2gtj n ILE 57 Cb 0.56 -0.36 -0.03 0.00 -0.00 0.00 0.00 39.64 39.81 2gtj n ILE 57 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 2gtj s THR 58 N -1.55 5.20 -0.73 7.28 -4.23 -1.26 -4.49 115.64 115.86 2gtj s THR 58 Ca 0.00 -0.37 -0.01 0.00 -1.18 0.00 0.00 61.69 60.13 2gtj s THR 58 Cb 0.00 -3.74 -0.01 0.00 1.34 0.00 0.00 72.50 70.09 2gtj s THR 58 CO 0.00 -0.19 0.67 -0.67 -0.54 0.00 0.00 174.62 173.89 2gtj n ASP 59 N -0.72 -7.03 -3.77 3.99 2.03 -1.26 -5.05 116.55 104.74 2gtj n ASP 59 Ca -0.05 -0.19 -0.26 0.00 0.52 0.00 0.00 54.79 54.82 2gtj n ASP 59 Cb 0.54 -4.87 -0.17 0.00 -0.72 0.00 0.00 41.12 35.90 2gtj n ASP 59 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2gtj s ASN 60 N -3.00 2.26 0.37 1.67 4.22 -1.26 -4.96 114.94 114.25 2gtj s ASN 60 Ca 0.09 -0.45 0.15 0.00 -2.14 0.00 0.00 52.86 50.51 2gtj s ASN 60 Cb -0.01 -0.56 0.73 0.00 1.28 0.00 0.00 41.25 42.69 2gtj s ASN 60 CO 0.68 -0.24 1.80 1.55 -2.04 0.00 0.00 177.10 178.85 2gtj h PRO 61 N 8.27 0.00 0.00 3.55 0.13 -1.89 -3.00 132.00 139.06 2gtj h PRO 61 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 2gtj h PRO 61 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2gtj h PRO 61 CO 0.31 0.39 -1.17 -1.91 -0.23 0.00 0.00 178.00 175.39 2gtj n GLU 62 N -3.89 0.35 -0.60 0.86 4.07 -1.26 -4.93 120.64 115.23 2gtj n GLU 62 Ca -0.01 -0.02 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 2gtj n GLU 62 Cb 0.44 -1.59 0.00 0.00 -0.06 0.00 0.00 31.44 30.23 2gtj n GLU 62 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2gtj n GLY 63 N 1.35 0.80 3.95 8.31 0.00 -1.13 -5.03 105.19 113.43 2gtj n GLY 63 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 2gtj n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gtj s LYS 64 N -0.40 3.33 0.57 1.61 -2.85 -1.26 -4.77 119.74 115.97 2gtj s LYS 64 Ca 0.00 -0.47 0.07 0.00 -1.00 0.00 0.00 55.97 54.56 2gtj s LYS 64 Cb 0.00 -2.67 0.08 0.00 -2.06 0.00 0.00 37.83 33.18 2gtj s LYS 64 CO 0.00 0.05 0.79 -1.58 0.10 0.00 0.00 175.35 174.71 2gtj s TRP 65 N -2.34 1.83 -0.31 1.78 0.51 0.15 -4.88 118.94 115.69 2gtj s TRP 65 Ca 0.42 -0.51 -0.01 0.00 -2.12 0.00 0.00 56.10 53.88 2gtj s TRP 65 Cb -0.10 -2.45 0.06 0.00 -0.81 0.00 0.00 33.47 30.17 2gtj s TRP 65 CO 0.35 -1.10 0.00 -1.17 -0.51 0.00 0.00 176.95 174.52 2gtj s LEU 66 N -4.71 3.98 0.21 2.99 2.96 0.06 -0.43 118.68 123.74 2gtj s LEU 66 Ca 0.61 -1.39 0.08 0.00 -0.22 0.00 0.00 54.13 53.21 2gtj s LEU 66 Cb -0.07 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 2gtj s LEU 66 CO 0.39 -0.28 0.00 -0.83 -1.32 0.00 0.00 176.35 174.31 2gtj s GLY 67 N 1.27 1.68 0.04 7.98 0.00 -1.19 -1.59 107.32 115.50 2gtj s GLY 67 Ca -0.04 -1.46 0.03 0.00 0.00 0.00 0.00 44.72 43.24 2gtj s GLY 67 CO -0.02 -1.50 -0.09 -1.60 0.00 0.00 0.00 173.10 169.89 2gtj s ARG 68 N -3.21 0.59 0.28 2.90 3.52 0.56 -1.39 118.95 122.20 2gtj s ARG 68 Ca 0.29 -0.67 0.06 0.00 -0.13 0.00 0.00 55.73 55.27 2gtj s ARG 68 Cb -0.08 -0.46 -0.02 0.00 -1.56 0.00 0.00 34.95 32.82 2gtj s ARG 68 CO 0.19 0.10 0.38 0.99 -0.81 0.00 0.00 175.30 176.16 2gtj s THR 69 N -1.06 4.69 0.56 4.11 2.01 -0.40 -0.49 115.64 125.06 2gtj s THR 69 Ca -0.05 -1.04 0.29 0.00 0.31 0.00 0.00 61.69 61.19 2gtj s THR 69 Cb -0.08 -3.63 0.42 0.00 0.01 0.00 0.00 72.50 69.21 2gtj s THR 69 CO 0.01 -0.26 1.92 0.00 -0.69 0.00 0.00 174.62 175.59 2gtj h ALA 70 N 1.10 2.44 -0.12 7.40 0.00 -1.91 0.19 119.26 128.36 2gtj h ALA 70 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2gtj h ALA 70 Cb 1.24 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2gtj h ALA 70 CO 0.58 -0.81 0.00 2.89 0.00 0.00 0.00 179.25 181.91 2gtj n ARG 71 N -4.02 1.67 -1.71 0.00 1.85 -1.26 -4.96 116.66 108.23 2gtj n ARG 71 Ca 0.12 -0.99 -0.00 0.00 -1.00 0.00 0.00 57.85 55.97 2gtj n ARG 71 Cb 0.74 -1.41 0.00 0.00 -1.05 0.00 0.00 32.46 30.73 2gtj n ARG 71 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2gtj n GLY 72 N 1.12 -2.59 3.21 2.89 0.00 0.65 -5.07 105.19 105.41 2gtj n GLY 72 Ca 0.17 -0.08 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 2gtj n GLY 72 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2gtj s SER 73 N -0.49 -0.22 -0.57 1.61 0.01 -1.25 -4.90 113.70 107.89 2gtj s SER 73 Ca 0.01 0.86 -0.00 0.00 1.31 0.00 0.00 55.95 58.12 2gtj s SER 73 Cb -0.00 1.36 0.15 0.00 0.21 0.00 0.00 66.02 67.73 2gtj s SER 73 CO 0.13 -0.25 0.35 -0.31 0.41 0.00 0.00 173.24 173.58 2gtj s TYR 74 N 2.62 3.37 -0.44 2.43 1.51 -1.25 -1.27 117.35 124.31 2gtj s TYR 74 Ca 0.02 -2.86 -0.08 0.00 -1.01 0.00 0.00 57.07 53.14 2gtj s TYR 74 Cb -0.13 -3.07 0.10 0.00 -0.11 0.00 0.00 41.96 38.75 2gtj s TYR 74 CO -0.14 -0.82 0.29 0.20 -1.11 0.00 0.00 175.55 173.97 2gtj s GLY 75 N 0.46 2.00 -0.89 0.71 0.00 -0.49 -4.83 107.32 104.27 2gtj s GLY 75 Ca 0.16 -2.34 -0.32 0.00 0.00 0.00 0.00 44.72 42.23 2gtj s GLY 75 CO -0.03 1.03 2.61 -1.72 0.00 0.00 0.00 173.10 174.99 2gtj n TYR 76 N 4.88 0.72 -3.09 1.90 4.02 -1.26 -3.14 117.16 121.20 2gtj n TYR 76 Ca -0.09 0.39 -0.35 0.00 -0.01 0.00 0.00 57.90 57.84 2gtj n TYR 76 Cb 0.42 -2.40 -0.06 0.00 -0.02 0.00 0.00 39.34 37.28 2gtj n TYR 76 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 2gtj s ILE 77 N 9.00 4.57 -0.17 -0.72 -4.36 0.42 -4.12 121.20 125.83 2gtj s ILE 77 Ca 1.30 1.24 -0.28 0.00 -0.26 0.00 0.00 60.65 62.65 2gtj s ILE 77 Cb -1.17 -3.81 -0.00 0.00 1.25 0.00 0.00 42.46 38.73 2gtj s ILE 77 CO 0.48 0.11 0.98 -1.59 0.24 0.00 0.00 174.94 175.17 2gtj s LYS 78 N -2.21 4.33 0.45 0.37 -2.85 -1.26 0.35 119.74 118.91 2gtj s LYS 78 Ca 0.46 1.30 0.40 0.00 -1.00 0.00 0.00 55.97 57.13 2gtj s LYS 78 Cb -0.15 -3.59 1.42 0.00 -2.06 0.00 0.00 37.83 33.45 2gtj s LYS 78 CO 0.20 -0.45 1.29 0.25 0.10 0.00 0.00 175.35 176.75 2gtj n THR 79 N 4.91 -0.02 0.10 3.79 -2.24 -1.26 -0.51 114.28 119.04 2gtj n THR 79 Ca 0.09 1.27 0.02 0.00 -2.27 0.00 0.00 64.05 63.16 2gtj n THR 79 Cb 0.48 -2.11 0.39 0.00 -2.10 0.00 0.00 70.33 66.99 2gtj n THR 79 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2gtj h THR 80 N 0.00 1.17 -0.00 4.28 1.35 -1.98 -2.69 112.91 115.03 2gtj h THR 80 Ca 0.78 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.94 2gtj h THR 80 Cb 3.05 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 70.58 2gtj h THR 80 CO -0.05 0.22 -0.16 0.00 -0.25 0.00 0.00 175.52 175.28 2gtj n ALA 81 N -2.49 2.86 -2.24 6.62 0.00 0.33 -4.76 120.51 120.83 2gtj n ALA 81 Ca -0.00 -0.31 -0.12 0.00 0.00 0.00 0.00 53.44 53.00 2gtj n ALA 81 Cb 0.24 -1.27 -0.10 0.00 0.00 0.00 0.00 19.45 18.32 2gtj n ALA 81 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2gtj s VAL 82 N -2.49 0.89 -0.15 0.00 -7.23 -1.02 0.12 120.40 110.53 2gtj s VAL 82 Ca 0.27 -1.94 -0.00 0.00 -1.81 0.00 0.00 61.98 58.50 2gtj s VAL 82 Cb 0.20 -1.69 0.03 0.00 0.56 0.00 0.00 36.38 35.48 2gtj s VAL 82 CO 0.49 -0.79 -0.08 -1.61 -0.31 0.00 0.00 175.10 172.80 2gtj s GLU 83 N -3.66 1.66 0.65 4.82 2.02 -0.16 -4.78 118.70 119.25 2gtj s GLU 83 Ca 0.13 -0.47 -0.11 0.00 0.02 0.00 0.00 54.97 54.54 2gtj s GLU 83 Cb 0.03 -1.92 -0.02 0.00 0.10 0.00 0.00 34.13 32.31 2gtj s GLU 83 CO -0.02 -0.35 1.04 0.96 0.02 0.00 0.00 175.26 176.91 2gtj s ILE 84 N 1.61 4.47 -0.17 -1.63 -4.36 -1.26 0.26 121.20 120.12 2gtj s ILE 84 Ca 0.03 0.80 -0.26 0.00 -0.26 0.00 0.00 60.65 60.96 2gtj s ILE 84 Cb -0.14 -3.71 -0.01 0.00 1.25 0.00 0.00 42.46 39.84 2gtj s ILE 84 CO -0.08 -1.05 0.86 -0.62 0.24 0.00 0.00 174.94 174.29 2gtj s ASP 85 N -4.06 6.99 0.34 4.36 2.15 0.59 -4.84 116.67 122.20 2gtj s ASP 85 Ca 0.56 1.22 0.03 0.00 0.43 0.00 0.00 52.55 54.78 2gtj s ASP 85 Cb -0.12 -2.47 0.63 0.00 -0.30 0.00 0.00 42.92 40.66 2gtj s ASP 85 CO 0.54 -0.42 1.97 1.88 -0.17 0.00 0.00 175.17 178.98 2gtj h TYR 86 N 7.31 0.86 0.00 -5.34 0.05 -1.94 -3.42 116.97 114.49 2gtj h TYR 86 Ca -0.29 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.51 2gtj h TYR 86 Cb 1.13 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 38.58 2gtj h TYR 86 CO 0.72 0.50 0.00 -3.47 -1.05 0.00 0.00 178.16 174.86 2gtj n ASP 87 N -4.45 0.00 0.00 3.88 2.03 -1.26 -5.10 116.55 111.65 2gtj n ASP 87 Ca 0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.40 2gtj n ASP 87 Cb 0.12 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 2gtj n ASP 87 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2gtj n SER 88 N -0.28 0.00 -4.39 1.67 2.88 -1.26 -4.80 113.62 107.43 2gtj n SER 88 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 2gtj n SER 88 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 2gtj n SER 88 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2gtj s LEU 89 N 0.00 2.19 -0.20 2.46 2.01 -1.26 -5.02 118.68 118.86 2gtj s LEU 89 Ca 0.00 -1.50 0.09 0.00 0.01 0.00 0.00 54.13 52.73 2gtj s LEU 89 Cb 0.00 -0.38 -0.18 0.00 0.01 0.00 0.00 46.19 45.64 2gtj s LEU 89 CO 0.00 -0.73 -0.06 1.17 1.01 0.00 0.00 176.35 177.74 2gtj n LYS 90 N -0.85 0.88 -3.03 1.70 4.81 -1.26 -4.77 118.16 115.64 2gtj n LYS 90 Ca -0.06 0.05 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 2gtj n LYS 90 Cb 0.66 -1.45 -0.05 0.00 0.02 0.00 0.00 35.03 34.21 2gtj n LYS 90 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2gtj s LEU 91 N -5.76 4.58 0.00 3.14 2.96 -1.26 -4.89 118.68 117.45 2gtj s LEU 91 Ca -0.19 -0.62 0.12 0.00 -0.22 0.00 0.00 54.13 53.22 2gtj s LEU 91 Cb 0.06 -2.63 0.69 0.00 0.50 0.00 0.00 46.19 44.81 2gtj s LEU 91 CO 0.62 -1.00 1.45 1.17 -1.32 0.00 0.00 176.35 177.27 2gtj n LYS 92 N 6.67 1.07 0.23 1.98 4.81 -1.26 -2.43 118.16 129.23 2gtj n LYS 92 Ca -0.03 -0.10 0.13 0.00 -0.87 0.00 0.00 58.31 57.44 2gtj n LYS 92 Cb 0.46 -1.20 0.30 0.00 0.02 0.00 0.00 35.03 34.62 2gtj n LYS 92 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2gtj h LYS 93 N 0.19 0.00 -4.67 1.64 3.11 -1.98 -3.49 116.57 111.37 2gtj h LYS 93 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2gtj h LYS 93 Cb 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.27 2gtj h LYS 93 CO 0.00 0.02 -0.62 -0.25 -2.81 0.00 0.00 179.45 175.78 2gtj n ASP 94 N -3.10 -6.60 0.13 4.20 9.92 -1.02 -5.01 116.55 115.06 2gtj n ASP 94 Ca 0.03 0.85 0.00 0.00 -0.53 0.00 0.00 54.79 55.14 2gtj n ASP 94 Cb 0.48 -4.35 0.00 0.00 -0.64 0.00 0.00 41.12 36.61 2gtj n ASP 94 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2gtj n LEU 95 N 0.22 -2.29 0.00 0.64 7.94 -1.26 -5.19 117.00 117.06 2gtj n LEU 95 Ca 0.03 0.50 0.00 0.00 -1.11 0.00 0.00 56.01 55.43 2gtj n LEU 95 Cb 0.13 2.35 0.00 0.00 0.53 0.00 0.00 43.42 46.43 2gtj n LEU 95 CO 0.35 -0.05 0.00 -0.62 -1.11 0.00 0.00 177.39 175.97