#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 3.26 -0.39 3.49 2.20 -1.26 -4.28 119.74 122.77 2gtj s LYS 2 Ca 0.00 -0.58 -0.03 0.00 -0.36 0.00 0.00 55.97 55.01 2gtj s LYS 2 Cb 0.00 -2.91 0.00 0.00 -1.51 0.00 0.00 37.83 33.41 2gtj s LYS 2 CO 0.00 0.57 0.40 1.63 -0.36 0.00 0.00 175.35 177.58 2gtj n LYS 3 N 0.05 -0.95 -2.94 4.03 4.76 -1.26 -4.60 118.16 117.26 2gtj n LYS 3 Ca -0.07 1.19 -0.05 0.00 -2.87 0.00 0.00 58.31 56.52 2gtj n LYS 3 Cb 0.52 -4.01 0.01 0.00 -1.84 0.00 0.00 35.03 29.70 2gtj n LYS 3 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2gtj n GLU 4 N -1.17 -1.93 -2.41 1.97 4.71 -1.26 -4.98 120.64 115.56 2gtj n GLU 4 Ca 0.02 1.86 -0.39 0.00 -0.01 0.00 0.00 57.16 58.64 2gtj n GLU 4 Cb 0.44 -5.71 -0.03 0.00 -1.01 0.00 0.00 31.44 25.12 2gtj n GLU 4 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 177.13 176.08 2gtj s GLN 5 N -2.77 4.34 -0.19 3.49 0.74 -1.26 -5.02 119.66 118.99 2gtj s GLN 5 Ca 0.14 1.77 -0.19 0.00 0.05 0.00 0.00 55.36 57.14 2gtj s GLN 5 Cb -0.04 -2.88 -0.03 0.00 1.10 0.00 0.00 33.01 31.15 2gtj s GLN 5 CO 0.76 -0.05 0.53 0.15 -0.55 0.00 0.00 175.29 176.13 2gtj s LYS 6 N -1.96 4.21 -1.17 1.67 3.01 -1.26 -4.97 119.74 119.27 2gtj s LYS 6 Ca 0.51 0.44 -0.23 0.00 -1.01 0.00 0.00 55.97 55.68 2gtj s LYS 6 Cb -0.30 -3.55 -0.11 0.00 -1.01 0.00 0.00 37.83 32.86 2gtj s LYS 6 CO 0.38 -0.13 1.96 0.39 0.51 0.00 0.00 175.35 178.46 2gtj n GLU 7 N 4.70 1.37 -0.21 1.68 4.71 -1.26 -4.55 120.64 127.08 2gtj n GLU 7 Ca -0.05 -2.35 0.10 0.00 -0.01 0.00 0.00 57.16 54.85 2gtj n GLU 7 Cb 0.50 -3.76 0.26 0.00 -1.01 0.00 0.00 31.44 27.44 2gtj n GLU 7 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 2gtj n LYS 8 N 8.23 2.21 0.18 3.49 2.85 -1.26 -3.53 118.16 130.33 2gtj n LYS 8 Ca 0.44 -1.85 0.07 0.00 -1.05 0.00 0.00 58.31 55.92 2gtj n LYS 8 Cb 0.47 -1.44 0.10 0.00 -0.65 0.00 0.00 35.03 33.50 2gtj n LYS 8 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 2gtj h GLU 9 N 3.30 0.00 -5.95 -1.58 4.81 -2.02 -3.41 114.58 109.73 2gtj h GLU 9 Ca 0.00 0.00 -0.45 0.00 -0.13 0.00 0.00 59.36 58.78 2gtj h GLU 9 Cb 0.74 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.05 2gtj h GLU 9 CO 0.00 0.26 1.12 0.21 -0.73 0.00 0.00 179.01 179.86 2gtj s LYS 10 N -3.08 3.01 -0.05 1.92 2.47 -1.23 -4.66 119.74 118.12 2gtj s LYS 10 Ca 0.05 -0.49 0.07 0.00 -1.56 0.00 0.00 55.97 54.04 2gtj s LYS 10 Cb 0.06 -5.02 0.11 0.00 -1.46 0.00 0.00 37.83 31.53 2gtj s LYS 10 CO 0.71 -2.76 1.05 1.63 0.16 0.00 0.00 175.35 176.14 2gtj n LYS 11 N 8.95 2.31 -1.11 4.03 4.76 -1.26 -4.90 118.16 130.94 2gtj n LYS 11 Ca 0.32 -1.91 -0.36 0.00 -2.87 0.00 0.00 58.31 53.49 2gtj n LYS 11 Cb 0.49 -1.19 -0.03 0.00 -1.84 0.00 0.00 35.03 32.46 2gtj n LYS 11 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2gtj n GLU 12 N -0.86 2.08 0.06 1.97 4.71 -1.26 -4.23 120.64 123.11 2gtj n GLU 12 Ca 0.06 -1.86 0.04 0.00 -0.01 0.00 0.00 57.16 55.39 2gtj n GLU 12 Cb 0.40 -2.81 -0.06 0.00 -1.01 0.00 0.00 31.44 27.97 2gtj n GLU 12 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 2gtj n GLN 13 N 5.65 0.62 -0.06 3.49 0.00 -1.26 -4.01 117.38 121.81 2gtj n GLN 13 Ca 0.51 0.19 0.19 0.00 -0.00 0.00 0.00 57.00 57.88 2gtj n GLN 13 Cb 0.30 -1.81 0.63 0.00 0.00 0.00 0.00 30.24 29.35 2gtj n GLN 13 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2gtj h GLU 14 N 0.00 0.13 0.00 3.69 4.39 -1.98 -1.19 114.58 119.62 2gtj h GLU 14 Ca -0.11 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.50 2gtj h GLU 14 Cb 1.39 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.00 2gtj h GLU 14 CO 0.03 0.09 -0.38 -0.84 -1.16 0.00 0.00 179.01 176.75 2gtj h ILE 15 N 0.14 1.13 0.00 3.13 3.07 -1.91 -0.63 117.51 122.45 2gtj h ILE 15 Ca 0.29 -1.36 0.00 0.00 1.55 0.00 0.00 64.86 65.34 2gtj h ILE 15 Cb 0.97 1.76 0.00 0.00 -0.27 0.00 0.00 36.82 39.28 2gtj h ILE 15 CO -0.04 0.37 0.00 0.29 -1.05 0.00 0.00 178.15 177.72 2gtj n LYS 16 N -3.89 0.18 -0.09 0.16 5.02 -0.45 -0.48 118.16 118.60 2gtj n LYS 16 Ca -0.01 0.18 0.03 0.00 -2.02 0.00 0.00 58.31 56.49 2gtj n LYS 16 Cb 0.44 -1.72 0.08 0.00 -0.02 0.00 0.00 35.03 33.81 2gtj n LYS 16 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2gtj n LYS 17 N -2.03 2.65 0.05 1.97 5.02 -0.51 -3.87 118.16 121.43 2gtj n LYS 17 Ca 0.05 -1.73 0.00 0.00 -2.02 0.00 0.00 58.31 54.62 2gtj n LYS 17 Cb 0.37 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 2gtj n LYS 17 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2gtj n LYS 18 N 0.10 0.00 -0.01 1.97 3.00 -0.36 -4.81 118.16 118.06 2gtj n LYS 18 Ca 0.06 0.00 -0.05 0.00 -0.00 0.00 0.00 58.31 58.32 2gtj n LYS 18 Cb 0.33 -0.45 -0.12 0.00 0.00 0.00 0.00 35.03 34.79 2gtj n LYS 18 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2gtj n PHE 19 N -3.41 0.86 -2.39 5.64 -0.00 0.36 -4.72 117.46 113.80 2gtj n PHE 19 Ca 0.00 0.30 -0.00 0.00 -0.00 0.00 0.00 57.45 57.75 2gtj n PHE 19 Cb 0.00 -1.12 -0.00 0.00 -0.00 0.00 0.00 39.48 38.36 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 -2.94 -2.58 0.00 -4.13 4.81 -0.90 -4.59 118.16 107.84 2gtj n LYS 20 Ca -0.16 2.19 0.11 0.00 -0.87 0.00 0.00 58.31 59.58 2gtj n LYS 20 Cb 0.98 -4.21 -0.12 0.00 0.02 0.00 0.00 35.03 31.70 2gtj n LYS 20 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2gtj n LEU 21 N 0.52 0.46 0.00 3.14 7.99 -1.26 -4.98 117.00 122.86 2gtj n LEU 21 Ca -0.00 -0.16 0.00 0.00 -0.01 0.00 0.00 56.01 55.84 2gtj n LEU 21 Cb 0.00 -0.02 0.00 0.00 -0.11 0.00 0.00 43.42 43.29 2gtj n LEU 21 CO 0.33 0.08 0.00 0.35 -1.51 0.00 0.00 177.39 176.64 2gtj n THR 22 N -1.97 0.00 -1.57 -5.08 -2.24 -1.26 -4.69 114.28 97.47 2gtj n THR 22 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2gtj n THR 22 Cb 0.47 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 2gtj n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gtj n GLY 23 N 0.00 5.40 3.92 3.38 0.00 -1.26 -5.16 105.19 111.47 2gtj n GLY 23 Ca 0.00 -1.26 -0.29 0.00 0.00 0.00 0.00 46.02 44.48 2gtj n GLY 23 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2gtj s PRO 24 N 2.64 1.44 -0.28 1.61 0.04 -1.26 -5.10 135.00 134.08 2gtj s PRO 24 Ca 0.00 -0.20 -0.16 0.00 0.04 0.00 0.00 61.00 60.68 2gtj s PRO 24 Cb 0.00 -1.95 0.08 0.00 0.04 0.00 0.00 34.50 32.67 2gtj s PRO 24 CO 0.00 -1.89 0.70 -1.50 0.04 0.00 0.00 177.00 174.35 2gtj s ILE 25 N -3.65 0.00 0.79 0.56 1.10 -1.26 -5.10 121.20 113.64 2gtj s ILE 25 Ca 0.67 0.00 -0.12 0.00 -0.51 0.00 0.00 60.65 60.69 2gtj s ILE 25 Cb -0.08 -1.00 0.07 0.00 0.15 0.00 0.00 42.46 41.60 2gtj s ILE 25 CO 0.50 0.00 1.16 0.00 -2.11 0.00 0.00 174.94 174.49 2gtj s GLN 26 N 1.59 2.11 0.11 3.50 -2.07 -1.26 -4.99 119.66 118.66 2gtj s GLN 26 Ca -0.10 0.22 -0.30 0.00 -1.82 0.00 0.00 55.36 53.36 2gtj s GLN 26 Cb -0.05 -1.96 -0.06 0.00 -1.09 0.00 0.00 33.01 29.85 2gtj s GLN 26 CO -0.19 -1.51 0.96 0.54 -1.32 0.00 0.00 175.29 173.77 2gtj s VAL 27 N -3.50 4.49 -0.11 3.63 0.11 -1.26 -4.60 120.40 119.16 2gtj s VAL 27 Ca 0.61 2.07 -0.05 0.00 -2.93 0.00 0.00 61.98 61.69 2gtj s VAL 27 Cb -0.11 -4.32 -0.26 0.00 -1.53 0.00 0.00 36.38 30.15 2gtj s VAL 27 CO 0.50 0.32 0.40 -0.38 -3.33 0.00 0.00 175.10 172.62 2gtj n ILE 28 N 2.75 1.77 -3.64 7.04 2.08 0.12 -4.98 119.36 124.49 2gtj n ILE 28 Ca 0.02 -0.67 -0.09 0.00 0.56 0.00 0.00 62.75 62.57 2gtj n ILE 28 Cb 0.49 -1.66 -0.02 0.00 -0.75 0.00 0.00 39.64 37.71 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 -2.56 -0.33 -0.22 1.39 3.76 -1.16 -5.01 115.29 111.15 2gtj s HIS 29 Ca -0.20 0.03 -0.08 0.00 -0.15 0.00 0.00 55.06 54.65 2gtj s HIS 29 Cb 0.07 0.62 -0.04 0.00 1.11 0.00 0.00 32.58 34.34 2gtj s HIS 29 CO 0.78 -0.96 0.09 -0.51 -0.85 0.00 0.00 174.74 173.29 2gtj s LEU 30 N -2.81 3.75 0.23 0.89 1.02 -1.26 -0.20 118.68 120.30 2gtj s LEU 30 Ca 0.07 -0.02 0.04 0.00 0.02 0.00 0.00 54.13 54.23 2gtj s LEU 30 Cb -0.03 -1.99 -0.03 0.00 0.02 0.00 0.00 46.19 44.16 2gtj s LEU 30 CO -0.03 0.06 0.37 0.00 0.02 0.00 0.00 176.35 176.77 2gtj s ALA 31 N 1.05 3.91 -0.20 4.21 0.00 0.22 -0.41 121.76 130.54 2gtj s ALA 31 Ca 0.05 -1.15 -0.06 0.00 0.00 0.00 0.00 51.96 50.80 2gtj s ALA 31 Cb -0.14 -1.79 -0.03 0.00 0.00 0.00 0.00 23.12 21.17 2gtj s ALA 31 CO 0.03 0.28 0.03 0.21 0.00 0.00 0.00 175.76 176.31 2gtj s LYS 32 N -3.85 3.72 -0.28 0.00 2.20 0.10 0.31 119.74 121.94 2gtj s LYS 32 Ca 0.35 -0.47 -0.28 0.00 -0.36 0.00 0.00 55.97 55.21 2gtj s LYS 32 Cb -0.09 -3.15 -0.03 0.00 -1.51 0.00 0.00 37.83 33.05 2gtj s LYS 32 CO 0.30 0.06 1.98 0.00 -0.36 0.00 0.00 175.35 177.33 2gtj s ALA 33 N 0.90 2.80 -0.39 3.13 0.00 -1.26 -0.66 121.76 126.28 2gtj s ALA 33 Ca 0.02 0.48 0.23 0.00 0.00 0.00 0.00 51.96 52.69 2gtj s ALA 33 Cb -0.14 -4.04 0.24 0.00 0.00 0.00 0.00 23.12 19.17 2gtj s ALA 33 CO 0.02 -2.71 1.37 0.00 0.00 0.00 0.00 175.76 174.44 2gtj s ASP 36 N -0.62 6.39 0.14 0.00 -1.08 -1.26 -3.89 116.67 116.35 2gtj s ASP 36 Ca -0.07 -0.12 0.09 0.00 -0.52 0.00 0.00 52.55 51.93 2gtj s ASP 36 Cb -0.04 -2.50 -0.04 0.00 -1.46 0.00 0.00 42.92 38.88 2gtj s ASP 36 CO 0.01 -1.37 -0.17 0.54 0.52 0.00 0.00 175.17 174.70 2gtj s VAL 37 N 4.51 2.86 -0.56 1.11 0.11 -0.45 -4.89 120.40 123.08 2gtj s VAL 37 Ca 0.37 -1.59 0.07 0.00 -2.93 0.00 0.00 61.98 57.89 2gtj s VAL 37 Cb -0.10 -2.34 0.28 0.00 -1.53 0.00 0.00 36.38 32.69 2gtj s VAL 37 CO 0.22 0.03 0.76 2.29 -3.33 0.00 0.00 175.10 175.07 2gtj n LYS 38 N 0.59 2.28 -2.13 1.54 0.00 -1.26 -1.01 118.16 118.16 2gtj n LYS 38 Ca -0.14 -4.37 -0.05 0.00 -0.00 0.00 0.00 58.31 53.74 2gtj n LYS 38 Cb 0.54 -2.03 0.02 0.00 -0.00 0.00 0.00 35.03 33.56 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 0.63 0.20 3.53 2.58 0.00 -0.64 -4.85 105.19 106.63 2gtj n GLY 39 Ca 0.28 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.16 1.37 -0.77 -0.02 0.00 -1.26 -4.16 107.32 99.32 2gtj s GLY 40 Ca 0.14 -1.19 -0.00 0.00 0.00 0.00 0.00 44.72 43.67 2gtj s GLY 40 CO 0.25 2.11 0.70 0.28 0.00 0.00 0.00 173.10 176.44 2gtj n LYS 41 N 7.59 -1.38 -2.96 2.90 5.02 -1.26 -4.27 118.16 123.79 2gtj n LYS 41 Ca 0.03 1.36 -0.10 0.00 -2.02 0.00 0.00 58.31 57.57 2gtj n LYS 41 Cb 0.48 -5.26 0.01 0.00 -0.02 0.00 0.00 35.03 30.24 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 -1.95 -7.42 -2.09 4.39 3.02 -1.26 -5.00 115.26 104.95 2gtj n ASN 42 Ca -0.05 0.66 -0.08 0.00 -0.03 0.00 0.00 54.58 55.08 2gtj n ASN 42 Cb 0.53 -4.34 -0.01 0.00 -0.61 0.00 0.00 39.78 35.34 2gtj n ASN 42 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2gtj n GLU 43 N 0.17 0.41 -3.81 3.52 2.13 -1.26 -4.46 120.64 117.34 2gtj n GLU 43 Ca 0.04 -1.52 -0.22 0.00 0.66 0.00 0.00 57.16 56.12 2gtj n GLU 43 Cb 0.37 1.49 -0.02 0.00 0.27 0.00 0.00 31.44 33.56 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 4.24 -0.29 4.31 0.20 -1.23 -4.21 118.68 121.70 2gtj s LEU 44 Ca 0.15 0.18 -0.11 0.00 0.69 0.00 0.00 54.13 55.05 2gtj s LEU 44 Cb -0.01 -2.99 -0.04 0.00 -0.43 0.00 0.00 46.19 42.73 2gtj s LEU 44 CO 0.11 -0.12 0.18 -0.44 -0.29 0.00 0.00 176.35 175.79 2gtj s SER 45 N -3.93 5.84 0.18 3.68 0.01 -1.26 -1.63 113.70 116.59 2gtj s SER 45 Ca 0.36 -0.17 -0.17 0.00 1.31 0.00 0.00 55.95 57.28 2gtj s SER 45 Cb -0.09 -2.08 0.03 0.00 0.21 0.00 0.00 66.02 64.09 2gtj s SER 45 CO 0.31 -0.10 0.49 0.72 0.41 0.00 0.00 173.24 175.07 2gtj s PHE 46 N 1.72 -0.11 0.22 2.43 -0.12 -0.18 -4.98 117.98 116.94 2gtj s PHE 46 Ca 0.06 -0.22 0.11 0.00 -0.05 0.00 0.00 56.93 56.83 2gtj s PHE 46 Cb -0.16 0.35 -0.04 0.00 -0.63 0.00 0.00 43.02 42.53 2gtj s PHE 46 CO 0.09 -0.87 -0.17 0.15 -0.05 0.00 0.00 175.22 174.38 2gtj s LYS 47 N -3.86 1.79 -0.26 1.99 1.02 -1.26 -1.34 119.74 117.81 2gtj s LYS 47 Ca 0.08 -1.50 -0.37 0.00 0.02 0.00 0.00 55.97 54.21 2gtj s LYS 47 Cb -0.00 -1.95 -0.13 0.00 -0.52 0.00 0.00 37.83 35.23 2gtj s LYS 47 CO -0.05 0.39 1.96 0.94 -0.92 0.00 0.00 175.35 177.67 2gtj n GLN 48 N -0.12 1.37 -0.30 1.68 0.00 -1.25 -1.56 117.38 117.20 2gtj n GLN 48 Ca -0.10 0.46 0.00 0.00 -0.00 0.00 0.00 57.00 57.37 2gtj n GLN 48 Cb 0.57 -2.37 0.00 0.00 0.00 0.00 0.00 30.24 28.44 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 5.19 0.82 0.19 1.69 0.00 0.49 -4.95 105.19 108.62 2gtj n GLY 49 Ca 0.31 -0.25 0.08 0.00 0.00 0.00 0.00 46.02 46.17 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 0.75 0.00 -3.14 1.61 4.39 -1.51 -3.47 114.58 113.21 2gtj h GLU 50 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2gtj h GLU 50 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2gtj h GLU 50 CO 0.00 0.18 -0.41 0.94 -1.16 0.00 0.00 179.01 178.56 2gtj n GLN 51 N -3.13 -2.07 -4.34 2.33 7.27 -1.26 -4.96 117.38 111.22 2gtj n GLN 51 Ca 0.03 1.80 -0.25 0.00 0.07 0.00 0.00 57.00 58.66 2gtj n GLN 51 Cb 0.61 -2.23 -0.09 0.00 2.41 0.00 0.00 30.24 30.94 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 -0.24 2.57 -0.06 1.69 1.01 0.15 -4.73 121.20 121.59 2gtj s ILE 52 Ca -0.01 -1.96 0.04 0.00 0.00 0.00 0.00 60.65 58.73 2gtj s ILE 52 Cb 0.00 -2.82 -0.02 0.00 0.01 0.00 0.00 42.46 39.63 2gtj s ILE 52 CO 0.02 -0.18 -0.19 -1.61 0.00 0.00 0.00 174.94 172.99 2gtj s GLU 53 N -3.73 2.62 -0.28 2.79 2.02 -0.09 0.72 118.70 122.75 2gtj s GLU 53 Ca 0.35 -0.79 -0.12 0.00 0.02 0.00 0.00 54.97 54.43 2gtj s GLU 53 Cb 0.01 -2.31 -0.04 0.00 0.10 0.00 0.00 34.13 31.88 2gtj s GLU 53 CO 0.19 0.47 0.25 -1.50 0.02 0.00 0.00 175.26 174.70 2gtj s ILE 54 N -0.35 5.26 -0.20 -1.63 1.10 0.72 -0.72 121.20 125.38 2gtj s ILE 54 Ca 0.03 0.28 -0.13 0.00 -0.51 0.00 0.00 60.65 60.32 2gtj s ILE 54 Cb -0.12 -3.60 -0.08 0.00 0.15 0.00 0.00 42.46 38.80 2gtj s ILE 54 CO 0.02 0.20 -0.30 2.30 -2.11 0.00 0.00 174.94 175.06 2gtj n ILE 55 N 5.08 1.33 -4.45 2.00 -0.00 -0.48 0.11 119.36 122.95 2gtj n ILE 55 Ca -0.12 -0.16 -0.31 0.00 -0.00 0.00 0.00 62.75 62.16 2gtj n ILE 55 Cb 0.51 -1.95 -0.16 0.00 -0.00 0.00 0.00 39.64 38.04 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 -2.53 2.64 -0.03 6.28 6.06 -1.21 -4.47 118.95 125.69 2gtj s ARG 56 Ca -0.30 -0.71 0.07 0.00 -2.50 0.00 0.00 55.73 52.29 2gtj s ARG 56 Cb 0.10 -2.21 -0.10 0.00 0.06 0.00 0.00 34.95 32.79 2gtj s ARG 56 CO 0.39 -0.08 0.10 0.44 -2.50 0.00 0.00 175.30 173.65 2gtj n ILE 57 N 4.27 0.17 -3.40 4.11 -0.00 -1.26 -0.81 119.36 122.43 2gtj n ILE 57 Ca -0.19 -0.20 -0.32 0.00 -0.00 0.00 0.00 62.75 62.04 2gtj n ILE 57 Cb 0.51 -0.10 -0.05 0.00 -0.00 0.00 0.00 39.64 40.00 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 -2.36 4.94 -1.11 7.28 -4.23 -1.26 -4.28 115.64 114.61 2gtj s THR 58 Ca -0.03 0.45 -0.03 0.00 -1.18 0.00 0.00 61.69 60.90 2gtj s THR 58 Cb 0.03 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.21 2gtj s THR 58 CO 0.28 -0.09 0.95 -0.67 -0.54 0.00 0.00 174.62 174.55 2gtj n ASP 59 N -0.20 -4.46 -4.48 3.99 -0.08 -1.26 -4.97 116.55 105.09 2gtj n ASP 59 Ca 0.00 -0.66 -0.43 0.00 -1.51 0.00 0.00 54.79 52.19 2gtj n ASP 59 Cb 0.52 -5.15 -0.08 0.00 2.34 0.00 0.00 41.12 38.75 2gtj n ASP 59 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2gtj s ASN 60 N -3.84 6.22 0.05 1.67 4.22 -1.26 -4.87 114.94 117.12 2gtj s ASN 60 Ca 0.24 -0.69 -0.35 0.00 -2.14 0.00 0.00 52.86 49.93 2gtj s ASN 60 Cb -0.03 -2.24 -0.19 0.00 1.28 0.00 0.00 41.25 40.06 2gtj s ASN 60 CO 0.73 -0.65 1.44 -0.65 -2.04 0.00 0.00 177.10 175.92 2gtj h PRO 61 N 8.79 -1.20 0.00 3.55 0.11 -1.84 -3.20 132.00 138.20 2gtj h PRO 61 Ca -0.26 0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.93 2gtj h PRO 61 Cb 1.11 0.27 0.00 0.00 0.11 0.00 0.00 31.00 32.49 2gtj h PRO 61 CO 0.84 -0.80 0.00 0.93 -0.21 0.00 0.00 178.00 178.75 2gtj h GLU 62 N -1.33 0.00 0.00 1.05 3.07 -1.94 -3.46 114.58 111.97 2gtj h GLU 62 Ca -0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 2gtj h GLU 62 Cb 0.96 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.87 2gtj h GLU 62 CO 0.21 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.23 2gtj n GLY 63 N 0.99 0.84 3.83 -3.84 0.00 -1.21 -5.08 105.19 100.72 2gtj n GLY 63 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.89 2.96 0.69 1.61 -2.85 -1.26 -4.75 119.74 115.24 2gtj s LYS 64 Ca 0.00 -1.01 -0.02 0.00 -1.00 0.00 0.00 55.97 53.94 2gtj s LYS 64 Cb 0.00 -2.59 0.10 0.00 -2.06 0.00 0.00 37.83 33.27 2gtj s LYS 64 CO 0.00 0.41 0.96 -1.58 0.10 0.00 0.00 175.35 175.24 2gtj s TRP 65 N -2.08 2.15 -0.32 1.78 0.51 0.14 -4.74 118.94 116.38 2gtj s TRP 65 Ca 0.33 -0.05 -0.04 0.00 -2.12 0.00 0.00 56.10 54.22 2gtj s TRP 65 Cb -0.08 -3.03 0.05 0.00 -0.81 0.00 0.00 33.47 29.59 2gtj s TRP 65 CO 0.25 -1.49 0.05 -1.17 -0.51 0.00 0.00 176.95 174.08 2gtj s LEU 66 N -5.10 4.13 0.19 2.99 2.96 0.01 -0.61 118.68 123.25 2gtj s LEU 66 Ca 0.63 -1.27 0.09 0.00 -0.22 0.00 0.00 54.13 53.36 2gtj s LEU 66 Cb -0.07 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.80 2gtj s LEU 66 CO 0.43 -0.30 -0.08 -0.83 -1.32 0.00 0.00 176.35 174.25 2gtj s GLY 67 N 1.35 1.72 0.04 7.98 0.00 -1.21 -1.39 107.32 115.82 2gtj s GLY 67 Ca -0.03 -1.49 0.03 0.00 0.00 0.00 0.00 44.72 43.23 2gtj s GLY 67 CO 0.00 -1.52 -0.10 -1.60 0.00 0.00 0.00 173.10 169.89 2gtj s ARG 68 N -2.94 0.64 0.31 2.90 3.52 0.10 -1.13 118.95 122.35 2gtj s ARG 68 Ca 0.26 -0.67 0.07 0.00 -0.13 0.00 0.00 55.73 55.25 2gtj s ARG 68 Cb -0.08 -0.53 -0.02 0.00 -1.56 0.00 0.00 34.95 32.75 2gtj s ARG 68 CO 0.16 0.12 0.32 -0.08 -0.81 0.00 0.00 175.30 175.01 2gtj s THR 69 N -1.00 3.95 0.55 4.11 -1.32 -0.92 -0.91 115.64 120.09 2gtj s THR 69 Ca -0.04 -1.26 0.30 0.00 -1.21 0.00 0.00 61.69 59.49 2gtj s THR 69 Cb -0.08 -3.33 0.45 0.00 -1.51 0.00 0.00 72.50 68.03 2gtj s THR 69 CO 0.01 -0.21 1.89 0.00 -2.21 0.00 0.00 174.62 174.10 2gtj h ALA 70 N 1.20 2.66 0.00 11.08 0.00 -1.92 0.37 119.26 132.65 2gtj h ALA 70 Ca -0.46 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 2gtj h ALA 70 Cb 1.25 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2gtj h ALA 70 CO 0.58 -0.98 -0.08 -0.09 0.00 0.00 0.00 179.25 178.68 2gtj h ARG 71 N 0.00 0.00 -1.87 0.00 1.12 -2.00 -3.48 114.38 108.14 2gtj h ARG 71 Ca 0.36 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.23 2gtj h ARG 71 Cb 1.53 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.49 2gtj h ARG 71 CO -0.00 0.08 0.00 0.41 -3.11 0.00 0.00 179.97 177.35 2gtj n GLY 72 N 0.72 -1.69 3.30 2.80 0.00 0.13 -4.97 105.19 105.48 2gtj n GLY 72 Ca 0.02 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.06 -0.45 -0.84 1.61 0.01 -1.25 -4.89 113.70 107.83 2gtj s SER 73 Ca 0.00 0.99 -0.02 0.00 1.31 0.00 0.00 55.95 58.23 2gtj s SER 73 Cb 0.00 1.09 0.21 0.00 0.21 0.00 0.00 66.02 67.53 2gtj s SER 73 CO 0.00 -0.21 0.71 -0.31 0.41 0.00 0.00 173.24 173.84 2gtj s TYR 74 N 1.97 3.79 -0.63 2.43 1.51 -1.26 -2.17 117.35 123.00 2gtj s TYR 74 Ca -0.06 -2.94 -0.16 0.00 -1.01 0.00 0.00 57.07 52.90 2gtj s TYR 74 Cb -0.10 -3.25 0.14 0.00 -0.11 0.00 0.00 41.96 38.64 2gtj s TYR 74 CO -0.13 -0.77 0.63 0.20 -1.11 0.00 0.00 175.55 174.37 2gtj s GLY 75 N 0.10 2.14 -0.92 0.71 0.00 -0.29 -4.83 107.32 104.22 2gtj s GLY 75 Ca 0.25 -2.65 -0.19 0.00 0.00 0.00 0.00 44.72 42.13 2gtj s GLY 75 CO -0.10 1.33 2.37 1.58 0.00 0.00 0.00 173.10 178.27 2gtj n TYR 76 N 5.26 0.46 -2.31 1.90 0.18 -1.26 -3.29 117.16 118.11 2gtj n TYR 76 Ca -0.06 0.11 -0.40 0.00 1.88 0.00 0.00 57.90 59.43 2gtj n TYR 76 Cb 0.42 -1.54 -0.03 0.00 -0.38 0.00 0.00 39.34 37.81 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 5.89 3.13 -0.22 -3.48 -4.36 0.22 -4.25 121.20 118.14 2gtj s ILE 77 Ca 1.24 1.14 -0.29 0.00 -0.26 0.00 0.00 60.65 62.48 2gtj s ILE 77 Cb -0.79 -3.73 -0.01 0.00 1.25 0.00 0.00 42.46 39.18 2gtj s ILE 77 CO 0.45 0.27 1.26 -1.59 0.24 0.00 0.00 174.94 175.57 2gtj s LYS 78 N -1.58 4.11 0.29 0.37 -2.85 -1.26 0.23 119.74 119.05 2gtj s LYS 78 Ca 0.47 1.47 0.18 0.00 -1.00 0.00 0.00 55.97 57.09 2gtj s LYS 78 Cb -0.36 -3.80 1.05 0.00 -2.06 0.00 0.00 37.83 32.66 2gtj s LYS 78 CO 0.46 -0.87 1.19 0.25 0.10 0.00 0.00 175.35 176.49 2gtj n THR 79 N 5.70 -0.29 0.85 3.79 -2.24 -1.26 0.39 114.28 121.22 2gtj n THR 79 Ca 0.14 1.50 0.09 0.00 -2.27 0.00 0.00 64.05 63.51 2gtj n THR 79 Cb 0.46 -2.44 0.45 0.00 -2.10 0.00 0.00 70.33 66.70 2gtj n THR 79 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2gtj n THR 80 N -4.59 0.47 1.00 4.28 5.66 -1.26 -2.50 114.28 117.34 2gtj n THR 80 Ca 0.29 0.12 0.11 0.00 -3.05 0.00 0.00 64.05 61.52 2gtj n THR 80 Cb 1.03 -0.82 0.04 0.00 -1.55 0.00 0.00 70.33 69.03 2gtj n THR 80 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2gtj n ALA 81 N -1.29 3.06 -2.21 1.79 0.00 0.16 -4.83 120.51 117.20 2gtj n ALA 81 Ca 0.08 -0.67 -0.12 0.00 0.00 0.00 0.00 53.44 52.74 2gtj n ALA 81 Cb 0.15 -0.80 -0.10 0.00 0.00 0.00 0.00 19.45 18.70 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 -2.26 0.85 -0.30 0.00 -7.23 -1.04 -0.03 120.40 110.39 2gtj s VAL 82 Ca 0.23 -1.97 0.01 0.00 -1.81 0.00 0.00 61.98 58.44 2gtj s VAL 82 Cb 0.19 -1.73 0.09 0.00 0.56 0.00 0.00 36.38 35.49 2gtj s VAL 82 CO 0.45 -0.82 0.04 -1.61 -0.31 0.00 0.00 175.10 172.84 2gtj s GLU 83 N -3.77 1.24 0.53 4.82 2.02 0.16 -4.79 118.70 118.91 2gtj s GLU 83 Ca 0.13 -1.33 -0.20 0.00 0.02 0.00 0.00 54.97 53.59 2gtj s GLU 83 Cb 0.04 -2.59 -0.06 0.00 0.10 0.00 0.00 34.13 31.62 2gtj s GLU 83 CO -0.03 -0.86 1.15 0.96 0.02 0.00 0.00 175.26 176.50 2gtj s ILE 84 N 1.30 3.08 -0.45 -1.63 -5.25 -1.26 0.03 121.20 117.02 2gtj s ILE 84 Ca 0.06 0.70 -0.27 0.00 -0.99 0.00 0.00 60.65 60.15 2gtj s ILE 84 Cb -0.18 -3.30 -0.04 0.00 2.95 0.00 0.00 42.46 41.89 2gtj s ILE 84 CO -0.14 -0.12 2.09 -1.81 -1.79 0.00 0.00 174.94 173.18 2gtj s ASP 85 N -1.66 5.15 -0.22 4.36 1.01 0.45 -4.84 116.67 120.93 2gtj s ASP 85 Ca 0.71 1.05 -0.29 0.00 0.71 0.00 0.00 52.55 54.73 2gtj s ASP 85 Cb -0.26 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.14 2gtj s ASP 85 CO 0.29 -2.34 1.52 -0.31 0.21 0.00 0.00 175.17 174.54 2gtj s TYR 86 N 9.54 2.29 -0.40 4.23 2.02 -1.26 -4.77 117.35 129.00 2gtj s TYR 86 Ca 0.85 0.63 -0.28 0.00 -0.37 0.00 0.00 57.07 57.91 2gtj s TYR 86 Cb -0.19 -3.92 -0.07 0.00 -0.40 0.00 0.00 41.96 37.37 2gtj s TYR 86 CO 0.28 -2.62 2.34 -3.47 -1.57 0.00 0.00 175.55 170.50 2gtj n ASP 87 N 8.00 2.56 -3.58 2.29 2.03 -1.26 -4.90 116.55 121.69 2gtj n ASP 87 Ca 0.17 -0.12 -0.29 0.00 0.52 0.00 0.00 54.79 55.07 2gtj n ASP 87 Cb 0.45 -1.51 -0.14 0.00 -0.72 0.00 0.00 41.12 39.20 2gtj n ASP 87 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2gtj s SER 88 N 10.14 3.56 -0.27 1.67 0.01 -1.26 -5.08 113.70 122.47 2gtj s SER 88 Ca 1.02 -1.60 0.03 0.00 1.31 0.00 0.00 55.95 56.71 2gtj s SER 88 Cb -0.35 -0.51 0.07 0.00 0.21 0.00 0.00 66.02 65.43 2gtj s SER 88 CO 0.33 -0.40 -0.07 -0.22 0.41 0.00 0.00 173.24 173.28 2gtj s LEU 89 N 1.71 3.41 -0.56 2.44 2.96 -1.26 -4.82 118.68 122.56 2gtj s LEU 89 Ca 0.11 -1.45 -0.00 0.00 -0.22 0.00 0.00 54.13 52.57 2gtj s LEU 89 Cb -0.18 -1.47 -0.00 0.00 0.50 0.00 0.00 46.19 45.04 2gtj s LEU 89 CO -0.26 -0.23 0.53 0.29 -1.32 0.00 0.00 176.35 175.37 2gtj n LYS 90 N 4.47 -1.01 -4.48 1.98 5.02 -1.26 -5.08 118.16 117.80 2gtj n LYS 90 Ca -0.11 1.25 -0.23 0.00 -2.02 0.00 0.00 58.31 57.20 2gtj n LYS 90 Cb 0.42 -4.74 -0.11 0.00 -0.02 0.00 0.00 35.03 30.59 2gtj n LYS 90 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2gtj s LEU 91 N -3.53 2.47 -0.15 -0.35 2.01 -1.26 -5.09 118.68 112.77 2gtj s LEU 91 Ca 0.00 -1.29 -0.11 0.00 0.01 0.00 0.00 54.13 52.75 2gtj s LEU 91 Cb -0.00 -0.62 -0.04 0.00 0.01 0.00 0.00 46.19 45.55 2gtj s LEU 91 CO 0.57 -0.45 -0.21 0.29 1.01 0.00 0.00 176.35 177.56 2gtj n LYS 92 N -0.71 0.46 -4.08 1.70 4.76 -1.26 -4.99 118.16 114.04 2gtj n LYS 92 Ca -0.04 0.47 -0.10 0.00 -2.87 0.00 0.00 58.31 55.77 2gtj n LYS 92 Cb 0.65 -1.64 -0.11 0.00 -1.84 0.00 0.00 35.03 32.09 2gtj n LYS 92 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2gtj s LYS 93 N -2.35 0.60 -0.47 1.97 3.01 -1.26 -5.09 119.74 116.15 2gtj s LYS 93 Ca -0.17 -1.00 0.06 0.00 -1.01 0.00 0.00 55.97 53.84 2gtj s LYS 93 Cb 0.02 -0.09 0.20 0.00 -1.01 0.00 0.00 37.83 36.96 2gtj s LYS 93 CO 0.25 -0.02 0.46 -3.47 0.51 0.00 0.00 175.35 173.08 2gtj n ASP 94 N 0.75 0.65 -0.05 2.83 2.03 -1.26 -4.81 116.55 116.69 2gtj n ASP 94 Ca -0.18 -2.70 -0.06 0.00 0.52 0.00 0.00 54.79 52.37 2gtj n ASP 94 Cb 0.58 -0.62 -0.08 0.00 -0.72 0.00 0.00 41.12 40.28 2gtj n ASP 94 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2gtj n LEU 95 N 2.08 0.64 0.00 -2.67 7.94 -1.26 -5.24 117.00 118.48 2gtj n LEU 95 Ca 0.26 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 55.14 2gtj n LEU 95 Cb 0.47 0.10 0.00 0.00 0.53 0.00 0.00 43.42 44.52 2gtj n LEU 95 CO 0.17 0.35 0.00 1.21 -1.11 0.00 0.00 177.39 178.01