#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 3.20 -0.34 3.44 2.20 -1.26 -4.88 119.74 122.10 2gtj s LYS 2 Ca 0.00 -0.65 0.08 0.00 -0.36 0.00 0.00 55.97 55.04 2gtj s LYS 2 Cb 0.00 -4.06 0.61 0.00 -1.51 0.00 0.00 37.83 32.87 2gtj s LYS 2 CO 0.00 -1.25 1.68 1.17 -0.36 0.00 0.00 175.35 176.59 2gtj n LYS 3 N 6.49 2.47 -2.40 4.03 3.00 -1.26 -4.78 118.16 125.70 2gtj n LYS 3 Ca -0.04 -3.08 -0.41 0.00 -0.00 0.00 0.00 58.31 54.78 2gtj n LYS 3 Cb 0.46 -2.02 0.01 0.00 0.00 0.00 0.00 35.03 33.48 2gtj n LYS 3 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2gtj n GLU 4 N -0.88 4.63 -3.64 1.64 1.02 -1.26 -4.80 120.64 117.36 2gtj n GLU 4 Ca 0.42 -3.99 -0.09 0.00 -0.02 0.00 0.00 57.16 53.49 2gtj n GLU 4 Cb 1.30 -2.62 -0.07 0.00 -0.02 0.00 0.00 31.44 30.03 2gtj n GLU 4 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2gtj s GLN 5 N -2.02 0.63 -0.05 3.49 -2.07 -1.26 -5.04 119.66 113.34 2gtj s GLN 5 Ca 0.43 0.89 0.03 0.00 -1.82 0.00 0.00 55.36 54.89 2gtj s GLN 5 Cb 0.15 0.23 -0.05 0.00 -1.09 0.00 0.00 33.01 32.25 2gtj s GLN 5 CO -0.05 -0.10 -0.01 1.63 -1.32 0.00 0.00 175.29 175.44 2gtj n LYS 6 N 3.18 2.09 -4.20 9.60 5.02 -1.26 -5.07 118.16 127.53 2gtj n LYS 6 Ca -0.16 0.01 -0.18 0.00 -2.02 0.00 0.00 58.31 55.97 2gtj n LYS 6 Cb 0.57 -1.12 -0.06 0.00 -0.02 0.00 0.00 35.03 34.39 2gtj n LYS 6 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2gtj s GLU 7 N -2.12 1.85 0.00 1.97 0.41 -1.26 -5.01 118.70 114.54 2gtj s GLU 7 Ca -0.05 -1.92 0.24 0.00 -0.41 0.00 0.00 54.97 52.84 2gtj s GLU 7 Cb 0.02 0.38 0.25 0.00 -1.78 0.00 0.00 34.13 33.00 2gtj s GLU 7 CO 0.18 -0.73 1.29 1.63 -0.49 0.00 0.00 175.26 177.14 2gtj n LYS 8 N -0.61 2.16 -2.28 1.61 4.01 -1.26 -5.00 118.16 116.79 2gtj n LYS 8 Ca 0.05 -1.76 -0.02 0.00 -0.51 0.00 0.00 58.31 56.07 2gtj n LYS 8 Cb 0.62 -1.46 0.00 0.00 -0.51 0.00 0.00 35.03 33.68 2gtj n LYS 8 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2gtj n GLU 9 N 1.11 -1.80 -0.63 1.97 1.02 -1.26 -4.97 120.64 116.09 2gtj n GLU 9 Ca 0.14 1.70 0.01 0.00 -0.02 0.00 0.00 57.16 58.99 2gtj n GLU 9 Cb 0.57 -3.87 0.21 0.00 -0.02 0.00 0.00 31.44 28.32 2gtj n GLU 9 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2gtj n LYS 10 N 0.02 2.07 -0.11 3.49 4.81 -1.26 -4.48 118.16 122.71 2gtj n LYS 10 Ca 0.04 -3.04 0.10 0.00 -0.87 0.00 0.00 58.31 54.54 2gtj n LYS 10 Cb 0.14 -1.78 0.33 0.00 0.02 0.00 0.00 35.03 33.73 2gtj n LYS 10 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2gtj n LYS 11 N -0.98 1.90 -0.99 1.64 3.00 -1.26 -4.36 118.16 117.10 2gtj n LYS 11 Ca 0.28 -1.35 -0.14 0.00 -0.00 0.00 0.00 58.31 57.10 2gtj n LYS 11 Cb 0.94 -1.41 -0.08 0.00 0.00 0.00 0.00 35.03 34.48 2gtj n LYS 11 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2gtj n GLU 12 N 0.58 1.86 0.26 1.64 -0.00 -1.26 -4.63 120.64 119.08 2gtj n GLU 12 Ca 0.16 -1.18 0.08 0.00 -0.00 0.00 0.00 57.16 56.23 2gtj n GLU 12 Cb 0.38 -1.77 0.63 0.00 -0.00 0.00 0.00 31.44 30.68 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 2.38 0.00 0.00 3.44 4.20 -1.98 -0.15 115.11 123.01 2gtj h GLN 13 Ca 0.21 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.84 2gtj h GLN 13 Cb 1.15 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.91 2gtj h GLN 13 CO 0.40 0.03 -0.39 0.93 -0.67 0.00 0.00 178.83 179.14 2gtj h GLU 14 N 0.00 0.00 0.00 1.46 4.39 -1.97 -2.97 114.58 115.49 2gtj h GLU 14 Ca -0.00 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 2gtj h GLU 14 Cb 0.06 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 2gtj h GLU 14 CO 0.00 0.39 -0.77 -0.84 -1.16 0.00 0.00 179.01 176.63 2gtj h ILE 15 N 0.00 1.44 -0.32 3.13 -0.00 -1.34 -2.20 117.51 118.22 2gtj h ILE 15 Ca -0.00 -2.76 -0.14 0.00 -0.00 0.00 0.00 64.86 61.95 2gtj h ILE 15 Cb 0.73 2.54 -0.00 0.00 -0.00 0.00 0.00 36.82 40.08 2gtj h ILE 15 CO 0.05 0.76 -0.35 0.11 -0.00 0.00 0.00 178.15 178.72 2gtj h LYS 16 N 0.00 0.80 0.00 0.16 1.57 -1.50 -1.37 116.57 116.24 2gtj h LYS 16 Ca -0.01 -0.43 -0.06 0.00 -1.87 0.00 0.00 60.65 58.27 2gtj h LYS 16 Cb 1.48 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.80 2gtj h LYS 16 CO 0.10 1.07 -0.72 -0.22 -0.57 0.00 0.00 179.45 179.11 2gtj h LYS 17 N 0.57 0.00 0.00 3.15 3.11 -1.56 -1.37 116.57 120.48 2gtj h LYS 17 Ca 0.05 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.85 2gtj h LYS 17 Cb 0.93 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.17 2gtj h LYS 17 CO 0.09 0.19 -0.15 -0.22 -2.81 0.00 0.00 179.45 176.54 2gtj h LYS 18 N 0.00 0.10 0.00 1.90 1.63 -1.01 -3.34 116.57 115.84 2gtj h LYS 18 Ca -0.04 -0.11 -0.21 0.00 -0.85 0.00 0.00 60.65 59.44 2gtj h LYS 18 Cb 1.22 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.85 2gtj h LYS 18 CO 0.03 0.89 -1.81 0.34 -3.45 0.00 0.00 179.45 175.45 2gtj n PHE 19 N -4.58 0.56 -2.05 1.91 -0.00 -0.55 -4.90 117.46 107.85 2gtj n PHE 19 Ca -0.10 0.19 -0.00 0.00 -0.00 0.00 0.00 57.45 57.54 2gtj n PHE 19 Cb 0.47 -0.98 -0.00 0.00 -0.00 0.00 0.00 39.48 38.96 2gtj n PHE 19 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 2gtj n LYS 20 N -2.77 -1.66 -0.13 -4.13 0.00 -0.52 -4.43 118.16 104.51 2gtj n LYS 20 Ca -0.16 1.59 -0.23 0.00 0.00 0.00 0.00 58.31 59.50 2gtj n LYS 20 Cb 0.91 -3.00 -0.11 0.00 0.00 0.00 0.00 35.03 32.84 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 0.37 2.45 0.00 3.14 7.99 -1.18 -5.00 117.00 124.77 2gtj n LEU 21 Ca -0.02 0.10 0.00 0.00 -0.01 0.00 0.00 56.01 56.08 2gtj n LEU 21 Cb 0.03 -0.85 0.00 0.00 -0.11 0.00 0.00 43.42 42.50 2gtj n LEU 21 CO 0.20 0.75 0.00 0.35 -1.51 0.00 0.00 177.39 177.18 2gtj n THR 22 N -3.73 0.00 -3.86 -5.08 -2.24 -1.26 -4.65 114.28 93.47 2gtj n THR 22 Ca -0.49 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 60.93 2gtj n THR 22 Cb 0.93 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 69.03 2gtj n THR 22 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2gtj s GLY 23 N 0.00 1.80 0.32 3.38 0.00 -1.26 -5.08 107.32 106.48 2gtj s GLY 23 Ca 0.00 -1.85 -0.29 0.00 0.00 0.00 0.00 44.72 42.58 2gtj s GLY 23 CO 0.00 0.75 1.27 2.56 0.00 0.00 0.00 173.10 177.68 2gtj s PRO 24 N 1.27 4.40 0.07 2.90 0.04 -1.26 -5.03 135.00 137.39 2gtj s PRO 24 Ca -0.03 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.16 2gtj s PRO 24 Cb -0.20 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.25 2gtj s PRO 24 CO -0.01 -0.12 0.02 0.44 0.04 0.00 0.00 177.00 177.37 2gtj n ILE 25 N 0.94 0.00 -2.81 0.56 -5.35 -1.26 -5.14 119.36 106.29 2gtj n ILE 25 Ca 0.00 -0.30 -0.20 0.00 -0.27 0.00 0.00 62.75 61.99 2gtj n ILE 25 Cb 0.42 -0.15 0.02 0.00 -1.74 0.00 0.00 39.64 38.20 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 -2.26 2.68 0.25 6.28 -2.07 -1.26 -5.03 119.66 118.26 2gtj s GLN 26 Ca 0.02 -0.95 -0.31 0.00 -1.82 0.00 0.00 55.36 52.29 2gtj s GLN 26 Cb -0.00 -2.60 -0.13 0.00 -1.09 0.00 0.00 33.01 29.19 2gtj s GLN 26 CO 0.01 -0.51 1.53 1.55 -1.32 0.00 0.00 175.29 176.55 2gtj n VAL 27 N -2.13 0.81 0.02 3.63 3.14 -1.26 -4.79 118.33 117.75 2gtj n VAL 27 Ca 0.08 -0.20 -0.19 0.00 -2.96 0.00 0.00 64.34 61.06 2gtj n VAL 27 Cb 0.59 -1.72 -0.14 0.00 -1.06 0.00 0.00 33.84 31.51 2gtj n VAL 27 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 2gtj h ILE 28 N 3.29 0.73 -2.50 1.55 1.08 -0.78 -3.49 117.51 117.39 2gtj h ILE 28 Ca -0.46 -2.45 0.00 0.00 -0.39 0.00 0.00 64.86 61.57 2gtj h ILE 28 Cb 1.25 2.55 -0.15 0.00 -3.07 0.00 0.00 36.82 37.39 2gtj h ILE 28 CO 0.80 0.83 0.28 -1.00 -0.69 0.00 0.00 178.15 178.38 2gtj s HIS 29 N -2.57 -0.52 -0.31 1.37 3.76 -1.21 -4.90 115.29 110.90 2gtj s HIS 29 Ca -0.18 0.54 -0.12 0.00 -0.15 0.00 0.00 55.06 55.15 2gtj s HIS 29 Cb 0.07 0.51 -0.03 0.00 1.11 0.00 0.00 32.58 34.24 2gtj s HIS 29 CO 0.80 -0.69 0.21 -0.51 -0.85 0.00 0.00 174.74 173.69 2gtj s LEU 30 N -2.17 4.28 0.31 0.89 1.02 -1.26 -0.19 118.68 121.55 2gtj s LEU 30 Ca -0.02 -0.29 -0.04 0.00 0.02 0.00 0.00 54.13 53.81 2gtj s LEU 30 Cb -0.01 -2.11 -0.05 0.00 0.02 0.00 0.00 46.19 44.04 2gtj s LEU 30 CO -0.05 -0.16 0.56 0.00 0.02 0.00 0.00 176.35 176.72 2gtj s ALA 31 N 1.72 3.63 -0.16 4.21 0.00 0.22 -1.06 121.76 130.32 2gtj s ALA 31 Ca 0.06 -0.62 -0.05 0.00 0.00 0.00 0.00 51.96 51.36 2gtj s ALA 31 Cb -0.17 -2.28 -0.03 0.00 0.00 0.00 0.00 23.12 20.64 2gtj s ALA 31 CO 0.10 0.17 -0.00 0.21 0.00 0.00 0.00 175.76 176.24 2gtj s LYS 32 N -3.74 3.69 -0.13 0.00 2.20 0.14 0.75 119.74 122.64 2gtj s LYS 32 Ca 0.43 -0.45 -0.29 0.00 -0.36 0.00 0.00 55.97 55.30 2gtj s LYS 32 Cb -0.10 -2.99 -0.05 0.00 -1.51 0.00 0.00 37.83 33.17 2gtj s LYS 32 CO 0.32 0.31 1.86 0.00 -0.36 0.00 0.00 175.35 177.47 2gtj s ALA 33 N 0.21 3.26 -0.88 3.13 0.00 -1.26 -0.90 121.76 125.33 2gtj s ALA 33 Ca 0.00 0.83 0.27 0.00 0.00 0.00 0.00 51.96 53.06 2gtj s ALA 33 Cb -0.13 -3.89 1.04 0.00 0.00 0.00 0.00 23.12 20.13 2gtj s ALA 33 CO 0.02 -1.99 1.85 0.00 0.00 0.00 0.00 175.76 175.64 2gtj s ASP 36 N -2.97 5.72 0.25 0.00 -4.77 -1.26 -2.64 116.67 111.00 2gtj s ASP 36 Ca 0.14 -1.48 0.10 0.00 -3.30 0.00 0.00 52.55 48.01 2gtj s ASP 36 Cb -0.05 -2.02 -0.04 0.00 -1.09 0.00 0.00 42.92 39.72 2gtj s ASP 36 CO 0.08 -0.56 -0.07 0.54 0.70 0.00 0.00 175.17 175.87 2gtj s VAL 37 N 1.46 3.16 -0.31 2.11 0.11 -0.03 -4.92 120.40 121.97 2gtj s VAL 37 Ca 0.03 -1.99 0.15 0.00 -2.93 0.00 0.00 61.98 57.24 2gtj s VAL 37 Cb -0.23 -2.66 0.42 0.00 -1.53 0.00 0.00 36.38 32.38 2gtj s VAL 37 CO 0.03 -0.33 1.33 2.29 -3.33 0.00 0.00 175.10 175.08 2gtj n LYS 38 N -0.66 2.68 -1.26 1.54 0.00 -1.26 -0.92 118.16 118.28 2gtj n LYS 38 Ca -0.07 -2.57 0.00 0.00 -0.00 0.00 0.00 58.31 55.67 2gtj n LYS 38 Cb 0.59 -1.63 0.00 0.00 -0.00 0.00 0.00 35.03 33.98 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 -0.44 0.91 3.90 2.58 0.00 -1.12 -4.46 105.19 106.57 2gtj n GLY 39 Ca 0.17 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.84 2.18 -1.32 -0.02 0.00 -1.26 -3.97 107.32 100.09 2gtj s GLY 40 Ca 0.00 -0.76 -0.03 0.00 0.00 0.00 0.00 44.72 43.93 2gtj s GLY 40 CO 0.00 -0.64 0.41 0.28 0.00 0.00 0.00 173.10 173.15 2gtj n LYS 41 N 0.98 -3.56 -2.50 2.90 5.02 -1.26 -3.63 118.16 116.11 2gtj n LYS 41 Ca -0.11 0.77 -0.05 0.00 -2.02 0.00 0.00 58.31 56.90 2gtj n LYS 41 Cb 0.53 -5.28 0.01 0.00 -0.02 0.00 0.00 35.03 30.26 2gtj n LYS 41 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2gtj n ASN 42 N -1.67 -6.57 -2.56 4.39 5.03 -1.26 -5.09 115.26 107.54 2gtj n ASN 42 Ca -0.11 0.59 -0.13 0.00 0.87 0.00 0.00 54.58 55.79 2gtj n ASN 42 Cb 0.61 -4.35 -0.05 0.00 -1.02 0.00 0.00 39.78 34.97 2gtj n ASN 42 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 2gtj n GLU 43 N -0.12 0.31 -3.66 3.52 2.13 -1.22 -4.79 120.64 116.81 2gtj n GLU 43 Ca 0.07 -2.32 -0.34 0.00 0.66 0.00 0.00 57.16 55.23 2gtj n GLU 43 Cb 0.26 1.93 -0.05 0.00 0.27 0.00 0.00 31.44 33.85 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 4.35 -0.27 4.31 2.96 -0.74 -4.47 118.68 124.82 2gtj s LEU 44 Ca 0.27 0.68 -0.16 0.00 -0.22 0.00 0.00 54.13 54.71 2gtj s LEU 44 Cb 0.01 -2.87 -0.03 0.00 0.50 0.00 0.00 46.19 43.80 2gtj s LEU 44 CO 0.19 0.20 0.41 -0.44 -1.32 0.00 0.00 176.35 175.39 2gtj s SER 45 N -1.77 6.29 0.09 3.68 0.01 -1.26 -2.80 113.70 117.94 2gtj s SER 45 Ca 0.31 0.30 -0.17 0.00 1.31 0.00 0.00 55.95 57.71 2gtj s SER 45 Cb -0.14 -2.23 0.03 0.00 0.21 0.00 0.00 66.02 63.90 2gtj s SER 45 CO 0.18 -0.22 0.40 0.72 0.41 0.00 0.00 173.24 174.72 2gtj s PHE 46 N 2.13 -0.22 0.03 2.43 -0.12 -0.10 -4.94 117.98 117.20 2gtj s PHE 46 Ca 0.16 0.01 0.03 0.00 -0.05 0.00 0.00 56.93 57.08 2gtj s PHE 46 Cb -0.16 0.23 -0.04 0.00 -0.63 0.00 0.00 43.02 42.43 2gtj s PHE 46 CO 0.10 -0.64 0.01 0.15 -0.05 0.00 0.00 175.22 174.78 2gtj s LYS 47 N -3.26 2.72 -0.28 1.99 -0.14 -1.26 -0.85 119.74 118.65 2gtj s LYS 47 Ca -0.00 -0.69 -0.39 0.00 -1.36 0.00 0.00 55.97 53.53 2gtj s LYS 47 Cb 0.01 -2.63 -0.15 0.00 -1.68 0.00 0.00 37.83 33.38 2gtj s LYS 47 CO -0.08 0.59 1.82 0.94 -0.76 0.00 0.00 175.35 177.87 2gtj n GLN 48 N 1.06 1.21 -0.96 1.68 0.00 -1.08 -0.46 117.38 118.82 2gtj n GLN 48 Ca -0.13 0.43 0.00 0.00 -0.00 0.00 0.00 57.00 57.30 2gtj n GLN 48 Cb 0.52 -2.18 0.00 0.00 0.00 0.00 0.00 30.24 28.58 2gtj n GLN 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2gtj n GLY 49 N 4.60 0.45 0.20 1.69 0.00 0.82 -4.93 105.19 108.02 2gtj n GLY 49 Ca 0.29 -0.61 -0.03 0.00 0.00 0.00 0.00 46.02 45.66 2gtj n GLY 49 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2gtj h GLU 50 N 0.47 0.30 -0.79 1.61 4.81 -0.99 -3.45 114.58 116.53 2gtj h GLU 50 Ca 0.00 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 2gtj h GLU 50 Cb 0.00 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2gtj h GLU 50 CO 0.00 0.66 0.00 0.94 -0.73 0.00 0.00 179.01 179.88 2gtj n GLN 51 N -4.03 0.00 -4.39 1.92 7.27 -1.26 -4.95 117.38 111.94 2gtj n GLN 51 Ca -0.01 0.40 -0.20 0.00 0.07 0.00 0.00 57.00 57.25 2gtj n GLN 51 Cb 0.48 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 33.03 2gtj n GLN 51 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2gtj s ILE 52 N -0.20 1.74 -0.08 1.69 1.01 0.23 -4.61 121.20 120.97 2gtj s ILE 52 Ca 0.00 -2.19 0.03 0.00 0.00 0.00 0.00 60.65 58.50 2gtj s ILE 52 Cb 0.00 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 2gtj s ILE 52 CO 0.00 -0.45 -0.18 -1.61 0.00 0.00 0.00 174.94 172.70 2gtj s GLU 53 N -3.67 2.81 -0.17 2.79 2.02 0.14 0.70 118.70 123.33 2gtj s GLU 53 Ca 0.26 -0.78 -0.17 0.00 0.02 0.00 0.00 54.97 54.30 2gtj s GLU 53 Cb 0.01 -2.37 -0.04 0.00 0.10 0.00 0.00 34.13 31.83 2gtj s GLU 53 CO 0.10 0.39 0.44 -1.50 0.02 0.00 0.00 175.26 174.71 2gtj s ILE 54 N -0.15 5.18 -0.06 -1.63 1.10 0.73 -0.13 121.20 126.24 2gtj s ILE 54 Ca -0.02 0.83 -0.08 0.00 -0.51 0.00 0.00 60.65 60.88 2gtj s ILE 54 Cb -0.14 -3.78 -0.04 0.00 0.15 0.00 0.00 42.46 38.66 2gtj s ILE 54 CO 0.04 0.27 -0.16 2.30 -2.11 0.00 0.00 174.94 175.28 2gtj n ILE 55 N 4.08 1.14 -4.20 2.00 -0.00 -0.28 -0.11 119.36 121.98 2gtj n ILE 55 Ca -0.07 0.13 -0.34 0.00 -0.00 0.00 0.00 62.75 62.47 2gtj n ILE 55 Cb 0.51 -1.85 -0.15 0.00 -0.00 0.00 0.00 39.64 38.15 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 -2.36 3.19 -0.01 6.28 6.06 -1.22 -4.66 118.95 126.24 2gtj s ARG 56 Ca -0.15 -0.74 0.01 0.00 -2.50 0.00 0.00 55.73 52.36 2gtj s ARG 56 Cb 0.04 -2.73 -0.02 0.00 0.06 0.00 0.00 34.95 32.30 2gtj s ARG 56 CO 0.21 -0.12 0.01 0.44 -2.50 0.00 0.00 175.30 173.34 2gtj n ILE 57 N 4.47 0.06 -3.03 4.11 -0.00 -1.26 -0.90 119.36 122.81 2gtj n ILE 57 Ca -0.19 -0.05 -0.40 0.00 -0.00 0.00 0.00 62.75 62.11 2gtj n ILE 57 Cb 0.51 -0.52 -0.05 0.00 -0.00 0.00 0.00 39.64 39.58 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 -2.05 4.66 -1.04 7.28 -4.23 -1.26 -3.84 115.64 115.16 2gtj s THR 58 Ca -0.01 1.57 -0.02 0.00 -1.18 0.00 0.00 61.69 62.06 2gtj s THR 58 Cb 0.01 -4.08 0.00 0.00 1.34 0.00 0.00 72.50 69.76 2gtj s THR 58 CO 0.05 0.42 0.27 -0.67 -0.54 0.00 0.00 174.62 174.16 2gtj n ASP 59 N 2.42 -4.38 -4.71 3.99 2.03 -1.26 -4.97 116.55 109.67 2gtj n ASP 59 Ca -0.04 -0.13 -0.42 0.00 0.52 0.00 0.00 54.79 54.72 2gtj n ASP 59 Cb 0.50 -3.35 -0.03 0.00 -0.72 0.00 0.00 41.12 37.52 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 -2.69 6.72 0.14 1.67 2.20 -1.25 -4.92 114.94 116.81 2gtj s ASN 60 Ca 0.13 2.41 0.12 0.00 -0.94 0.00 0.00 52.86 54.58 2gtj s ASN 60 Cb -0.06 -2.58 -0.11 0.00 -2.00 0.00 0.00 41.25 36.50 2gtj s ASN 60 CO 0.17 -0.75 1.15 1.55 -2.94 0.00 0.00 177.10 176.28 2gtj h PRO 61 N 7.18 0.00 -0.01 3.55 0.13 -1.87 -3.37 132.00 137.62 2gtj h PRO 61 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2gtj h PRO 61 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2gtj h PRO 61 CO 0.89 0.63 -0.33 0.39 -0.23 0.00 0.00 178.00 179.35 2gtj n GLU 62 N -3.18 2.26 0.00 0.86 -0.58 -1.26 -4.96 120.64 113.78 2gtj n GLU 62 Ca -0.04 -0.50 0.00 0.00 -0.42 0.00 0.00 57.16 56.20 2gtj n GLU 62 Cb 0.87 -1.12 0.00 0.00 -0.57 0.00 0.00 31.44 30.62 2gtj n GLU 62 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2gtj n GLY 63 N 1.06 3.04 3.91 0.62 0.00 -1.26 -5.05 105.19 107.51 2gtj n GLY 63 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.96 3.37 0.33 1.61 -2.85 -1.26 -4.75 119.74 115.22 2gtj s LYS 64 Ca 0.00 0.19 0.05 0.00 -1.00 0.00 0.00 55.97 55.21 2gtj s LYS 64 Cb 0.00 -2.32 -0.01 0.00 -2.06 0.00 0.00 37.83 33.44 2gtj s LYS 64 CO 0.00 -0.38 0.48 -1.58 0.10 0.00 0.00 175.35 173.97 2gtj s TRP 65 N -2.86 3.24 -0.39 1.78 0.51 0.63 -4.78 118.94 117.06 2gtj s TRP 65 Ca 0.50 -0.05 -0.11 0.00 -2.12 0.00 0.00 56.10 54.31 2gtj s TRP 65 Cb -0.10 -1.94 0.04 0.00 -0.81 0.00 0.00 33.47 30.66 2gtj s TRP 65 CO 0.46 0.05 0.24 -1.17 -0.51 0.00 0.00 176.95 176.02 2gtj s LEU 66 N -4.20 4.90 0.03 2.99 2.96 -0.08 -0.19 118.68 125.10 2gtj s LEU 66 Ca 0.43 -1.10 0.06 0.00 -0.22 0.00 0.00 54.13 53.29 2gtj s LEU 66 Cb -0.09 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 2gtj s LEU 66 CO 0.32 -0.44 -0.14 -0.83 -1.32 0.00 0.00 176.35 173.94 2gtj s GLY 67 N 1.73 1.63 0.10 7.98 0.00 -1.26 -1.13 107.32 116.38 2gtj s GLY 67 Ca 0.02 -1.13 0.08 0.00 0.00 0.00 0.00 44.72 43.69 2gtj s GLY 67 CO 0.06 -1.02 -0.17 -1.60 0.00 0.00 0.00 173.10 170.38 2gtj s ARG 68 N -1.44 1.87 0.21 2.90 3.52 0.82 -1.98 118.95 124.85 2gtj s ARG 68 Ca 0.16 -1.13 0.02 0.00 -0.13 0.00 0.00 55.73 54.64 2gtj s ARG 68 Cb -0.11 -2.15 -0.04 0.00 -1.56 0.00 0.00 34.95 31.09 2gtj s ARG 68 CO 0.06 0.49 0.37 0.99 -0.81 0.00 0.00 175.30 176.41 2gtj s THR 69 N -1.12 5.24 0.45 4.11 2.01 -0.27 -0.68 115.64 125.38 2gtj s THR 69 Ca 0.18 -0.61 0.24 0.00 0.31 0.00 0.00 61.69 61.81 2gtj s THR 69 Cb -0.11 -3.78 0.44 0.00 0.01 0.00 0.00 72.50 69.06 2gtj s THR 69 CO 0.10 -0.23 1.82 0.00 -0.69 0.00 0.00 174.62 175.62 2gtj h ALA 70 N 1.71 2.50 0.00 7.40 0.00 -1.91 0.40 119.26 129.36 2gtj h ALA 70 Ca -0.49 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2gtj h ALA 70 Cb 1.20 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2gtj h ALA 70 CO 0.66 -0.85 0.00 2.89 0.00 0.00 0.00 179.25 181.95 2gtj n ARG 71 N -4.45 0.81 -1.68 0.00 1.85 -1.26 -4.94 116.66 106.98 2gtj n ARG 71 Ca 0.23 0.00 -0.00 0.00 -1.00 0.00 0.00 57.85 57.08 2gtj n ARG 71 Cb 0.92 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.83 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 1.05 -2.17 3.31 2.89 0.00 0.14 -5.08 105.19 105.34 2gtj n GLY 72 Ca 0.21 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.62 -0.50 -0.38 1.61 0.01 -1.25 -4.90 113.70 107.67 2gtj s SER 73 Ca 0.01 0.99 -0.00 0.00 1.31 0.00 0.00 55.95 58.26 2gtj s SER 73 Cb -0.00 1.01 0.11 0.00 0.21 0.00 0.00 66.02 67.35 2gtj s SER 73 CO 0.11 -0.21 0.15 -0.31 0.41 0.00 0.00 173.24 173.39 2gtj s TYR 74 N 1.77 3.65 -2.21 2.43 1.51 -1.26 -1.11 117.35 122.14 2gtj s TYR 74 Ca -0.07 -2.63 0.21 0.00 -1.01 0.00 0.00 57.07 53.57 2gtj s TYR 74 Cb -0.09 -3.11 0.38 0.00 -0.11 0.00 0.00 41.96 39.03 2gtj s TYR 74 CO -0.14 -0.96 1.33 0.41 -1.11 0.00 0.00 175.55 175.08 2gtj n GLY 75 N 4.47 1.65 3.45 0.71 0.00 -0.84 -4.82 105.19 109.81 2gtj n GLY 75 Ca -0.00 -0.67 -0.24 0.00 0.00 0.00 0.00 46.02 45.11 2gtj n GLY 75 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2gtj n TYR 76 N 1.32 -2.63 -1.87 1.61 0.18 -1.26 -1.79 117.16 112.72 2gtj n TYR 76 Ca 0.17 1.07 -0.40 0.00 1.88 0.00 0.00 57.90 60.62 2gtj n TYR 76 Cb 0.56 -2.79 0.00 0.00 -0.38 0.00 0.00 39.34 36.73 2gtj n TYR 76 CO 0.00 0.00 0.00 0.96 -2.08 0.00 0.00 176.86 175.74 2gtj s ILE 77 N -2.37 2.21 -0.33 -3.48 -4.36 0.74 -4.59 121.20 109.01 2gtj s ILE 77 Ca 0.18 0.20 -0.29 0.00 -0.26 0.00 0.00 60.65 60.48 2gtj s ILE 77 Cb -0.03 -3.12 0.01 0.00 1.25 0.00 0.00 42.46 40.58 2gtj s ILE 77 CO 0.85 0.04 1.21 -1.59 0.24 0.00 0.00 174.94 175.69 2gtj s LYS 78 N -2.21 3.94 0.31 0.37 -2.85 -1.26 -0.27 119.74 117.76 2gtj s LYS 78 Ca 0.56 1.10 0.19 0.00 -1.00 0.00 0.00 55.97 56.82 2gtj s LYS 78 Cb -0.44 -3.84 1.09 0.00 -2.06 0.00 0.00 37.83 32.58 2gtj s LYS 78 CO 0.58 -1.09 1.23 0.25 0.10 0.00 0.00 175.35 176.41 2gtj n THR 79 N 6.19 -0.29 0.30 3.79 -2.24 -1.26 0.38 114.28 121.16 2gtj n THR 79 Ca 0.14 1.53 0.19 0.00 -2.27 0.00 0.00 64.05 63.63 2gtj n THR 79 Cb 0.47 -2.49 0.87 0.00 -2.10 0.00 0.00 70.33 67.08 2gtj n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gtj h THR 80 N 0.00 0.00 -0.00 4.28 1.03 -1.97 -2.54 112.91 113.71 2gtj h THR 80 Ca 0.67 -0.33 0.00 0.00 -0.01 0.00 0.00 66.41 66.74 2gtj h THR 80 Cb 1.90 1.32 0.00 0.00 -1.07 0.00 0.00 68.15 70.29 2gtj h THR 80 CO -0.53 0.00 -0.19 0.00 -0.01 0.00 0.00 175.52 174.79 2gtj n ALA 81 N -2.08 2.91 -2.26 0.00 0.00 0.16 -4.85 120.51 114.40 2gtj n ALA 81 Ca -0.01 -0.30 -0.14 0.00 0.00 0.00 0.00 53.44 52.99 2gtj n ALA 81 Cb 0.22 -1.26 -0.10 0.00 0.00 0.00 0.00 19.45 18.31 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 -2.59 0.48 -0.13 0.00 -7.23 -0.96 -0.20 120.40 109.79 2gtj s VAL 82 Ca 0.24 -1.99 -0.02 0.00 -1.81 0.00 0.00 61.98 58.41 2gtj s VAL 82 Cb 0.19 -2.41 0.04 0.00 0.56 0.00 0.00 36.38 34.77 2gtj s VAL 82 CO 0.52 -0.19 -0.00 -1.61 -0.31 0.00 0.00 175.10 173.51 2gtj s GLU 83 N -4.02 0.80 0.28 4.82 2.02 -0.07 -4.73 118.70 117.80 2gtj s GLU 83 Ca 0.32 -0.17 -0.25 0.00 0.02 0.00 0.00 54.97 54.90 2gtj s GLU 83 Cb 0.07 -1.52 -0.09 0.00 0.10 0.00 0.00 34.13 32.69 2gtj s GLU 83 CO 0.09 -0.43 0.88 0.96 0.02 0.00 0.00 175.26 176.79 2gtj s ILE 84 N 1.87 4.29 -0.17 -1.63 -5.25 -1.26 0.23 121.20 119.28 2gtj s ILE 84 Ca 0.03 1.73 -0.29 0.00 -0.99 0.00 0.00 60.65 61.12 2gtj s ILE 84 Cb -0.14 -4.02 -0.03 0.00 2.95 0.00 0.00 42.46 41.22 2gtj s ILE 84 CO -0.07 0.22 1.52 -0.62 -1.79 0.00 0.00 174.94 174.20 2gtj s ASP 85 N -1.55 6.61 0.53 4.36 2.15 -0.23 -4.89 116.67 123.65 2gtj s ASP 85 Ca 0.47 1.77 -0.17 0.00 0.43 0.00 0.00 52.55 55.05 2gtj s ASP 85 Cb -0.19 -2.53 -0.07 0.00 -0.30 0.00 0.00 42.92 39.83 2gtj s ASP 85 CO 0.24 -1.04 1.01 -0.31 -0.17 0.00 0.00 175.17 174.90 2gtj s TYR 86 N 4.44 3.22 0.00 -5.34 2.02 -1.26 -4.51 117.35 115.92 2gtj s TYR 86 Ca 0.67 1.51 0.00 0.00 -0.37 0.00 0.00 57.07 58.88 2gtj s TYR 86 Cb -0.26 -2.91 0.00 0.00 -0.40 0.00 0.00 41.96 38.40 2gtj s TYR 86 CO 0.26 -0.67 0.00 -3.47 -1.57 0.00 0.00 175.55 170.10 2gtj n ASP 87 N -1.59 0.00 0.00 2.29 -0.08 -1.26 -4.85 116.55 111.06 2gtj n ASP 87 Ca 0.08 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 2gtj n ASP 87 Cb 0.53 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.99 2gtj n ASP 87 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2gtj n SER 88 N 4.38 0.00 0.11 1.67 2.88 -1.26 -4.72 113.62 116.68 2gtj n SER 88 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2gtj n SER 88 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2gtj n SER 88 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2gtj n LEU 89 N 0.00 -1.49 -3.09 2.46 4.77 -1.26 -4.93 117.00 113.46 2gtj n LEU 89 Ca 0.00 0.40 -0.17 0.00 -0.03 0.00 0.00 56.01 56.20 2gtj n LEU 89 Cb 0.00 1.58 -0.04 0.00 -2.33 0.00 0.00 43.42 42.62 2gtj n LEU 89 CO 0.00 -0.28 -0.12 0.29 -1.33 0.00 0.00 177.39 175.95 2gtj n LYS 90 N -2.99 0.44 0.17 3.23 5.02 -1.26 -4.95 118.16 117.82 2gtj n LYS 90 Ca 0.00 -2.67 0.03 0.00 -2.02 0.00 0.00 58.31 53.65 2gtj n LYS 90 Cb 0.00 -1.51 0.31 0.00 -0.02 0.00 0.00 35.03 33.80 2gtj n LYS 90 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 2gtj h LEU 91 N 5.00 0.00 -8.19 -0.35 5.85 -1.93 -3.34 115.31 112.35 2gtj h LEU 91 Ca 0.13 0.00 -0.75 0.00 0.84 0.00 0.00 57.88 58.10 2gtj h LEU 91 Cb 0.98 0.00 -0.23 0.00 0.37 0.00 0.00 40.66 41.78 2gtj h LEU 91 CO 0.27 0.44 -0.28 -0.75 -0.34 0.00 0.00 178.44 177.78 2gtj s LYS 92 N -3.80 2.96 -0.49 1.25 2.20 -1.26 -5.00 119.74 115.61 2gtj s LYS 92 Ca -0.01 -1.53 0.03 0.00 -0.36 0.00 0.00 55.97 54.10 2gtj s LYS 92 Cb 0.13 -4.20 0.13 0.00 -1.51 0.00 0.00 37.83 32.38 2gtj s LYS 92 CO 0.72 -1.17 0.26 -1.59 -0.36 0.00 0.00 175.35 173.21 2gtj s LYS 93 N 1.61 1.69 -0.25 4.03 -2.85 -1.25 -4.91 119.74 117.81 2gtj s LYS 93 Ca 0.04 -2.38 0.02 0.00 -1.00 0.00 0.00 55.97 52.65 2gtj s LYS 93 Cb -0.27 -2.88 0.38 0.00 -2.06 0.00 0.00 37.83 33.00 2gtj s LYS 93 CO 0.05 -1.14 1.50 -0.25 0.10 0.00 0.00 175.35 175.61 2gtj n ASP 94 N 3.25 3.43 -1.12 0.03 9.92 -1.26 -4.80 116.55 126.01 2gtj n ASP 94 Ca 0.07 -2.89 -0.11 0.00 -0.53 0.00 0.00 54.79 51.34 2gtj n ASP 94 Cb 0.33 -0.69 -0.02 0.00 -0.64 0.00 0.00 41.12 40.11 2gtj n ASP 94 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2gtj n LEU 95 N -0.39 -1.29 -0.68 0.64 7.99 -1.26 -5.33 117.00 116.68 2gtj n LEU 95 Ca 0.33 0.07 0.13 0.00 -0.01 0.00 0.00 56.01 56.53 2gtj n LEU 95 Cb 1.15 -1.75 0.34 0.00 -0.11 0.00 0.00 43.42 43.05 2gtj n LEU 95 CO 0.34 -0.24 0.77 -0.62 -1.51 0.00 0.00 177.39 176.12