#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 3.62 -0.08 3.44 -0.14 -1.26 -4.54 119.74 120.79 2gtj s LYS 2 Ca 0.00 -1.42 0.22 0.00 -1.36 0.00 0.00 55.97 53.40 2gtj s LYS 2 Cb 0.00 -5.20 0.43 0.00 -1.68 0.00 0.00 37.83 31.38 2gtj s LYS 2 CO 0.00 -2.04 1.18 1.63 -0.76 0.00 0.00 175.35 175.35 2gtj n LYS 3 N 7.94 0.62 -0.66 1.68 4.76 -1.26 -5.10 118.16 126.15 2gtj n LYS 3 Ca 0.30 -2.49 0.00 0.00 -2.87 0.00 0.00 58.31 53.25 2gtj n LYS 3 Cb 0.50 -0.58 0.00 0.00 -1.84 0.00 0.00 35.03 33.11 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 -0.01 -1.88 0.00 1.97 1.02 -1.26 -4.81 120.64 115.68 2gtj n GLU 4 Ca 0.10 1.41 0.00 0.00 -0.02 0.00 0.00 57.16 58.65 2gtj n GLU 4 Cb 1.01 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.84 2gtj n GLU 4 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2gtj n GLN 5 N -1.03 0.00 -2.01 3.49 6.02 -1.26 -4.68 117.38 117.92 2gtj n GLN 5 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 2gtj n GLN 5 Cb 0.01 -0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.25 2gtj n GLN 5 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2gtj n LYS 6 N 0.00 -2.83 -1.91 -1.09 5.02 -1.26 -4.88 118.16 111.20 2gtj n LYS 6 Ca 0.00 2.31 -0.42 0.00 -2.02 0.00 0.00 58.31 58.17 2gtj n LYS 6 Cb 0.00 -3.23 -0.03 0.00 -0.02 0.00 0.00 35.03 31.75 2gtj n LYS 6 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2gtj s GLU 7 N -0.95 4.02 0.00 1.97 -1.05 -1.26 -4.01 118.70 117.42 2gtj s GLU 7 Ca -0.11 2.19 0.00 0.00 -0.15 0.00 0.00 54.97 56.90 2gtj s GLU 7 Cb 0.01 -4.07 0.00 0.00 -0.44 0.00 0.00 34.13 29.63 2gtj s GLU 7 CO 0.29 -1.05 0.00 1.63 0.95 0.00 0.00 175.26 177.09 2gtj n LYS 8 N 7.45 0.00 0.00 -4.83 4.76 -1.26 -4.20 118.16 120.08 2gtj n LYS 8 Ca 0.19 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.63 2gtj n LYS 8 Cb 0.43 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.62 2gtj n LYS 8 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2gtj n GLU 9 N 0.00 0.00 -2.72 1.97 2.13 -1.26 -4.96 120.64 115.80 2gtj n GLU 9 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 2gtj n GLU 9 Cb 0.00 0.00 0.10 0.00 0.27 0.00 0.00 31.44 31.81 2gtj n GLU 9 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2gtj n LYS 10 N 0.00 1.42 -1.94 5.31 -0.00 -1.26 -4.99 118.16 116.70 2gtj n LYS 10 Ca 0.00 -2.17 -0.42 0.00 -0.00 0.00 0.00 58.31 55.71 2gtj n LYS 10 Cb 0.00 -0.40 -0.03 0.00 -0.00 0.00 0.00 35.03 34.61 2gtj n LYS 10 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2gtj s LYS 11 N -1.31 4.00 -0.59 -1.58 2.20 -1.26 -4.87 119.74 116.33 2gtj s LYS 11 Ca 0.18 2.13 -0.01 0.00 -0.36 0.00 0.00 55.97 57.91 2gtj s LYS 11 Cb 0.41 -4.06 0.42 0.00 -1.51 0.00 0.00 37.83 33.09 2gtj s LYS 11 CO -0.08 -1.07 2.02 -0.85 -0.36 0.00 0.00 175.35 175.01 2gtj n GLU 12 N 7.46 2.49 -0.11 4.03 0.00 -1.26 -4.64 120.64 128.61 2gtj n GLU 12 Ca 0.19 -2.94 0.05 0.00 0.00 0.00 0.00 57.16 54.46 2gtj n GLU 12 Cb 0.43 -2.15 0.38 0.00 0.00 0.00 0.00 31.44 30.10 2gtj n GLU 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.13 176.57 2gtj h GLN 13 N 1.82 0.66 0.00 3.44 3.07 -2.01 -1.26 115.11 120.82 2gtj h GLN 13 Ca 0.55 -0.04 -0.02 0.00 0.09 0.00 0.00 58.65 59.23 2gtj h GLN 13 Cb 0.98 -0.15 -0.00 0.00 0.08 0.00 0.00 27.48 28.39 2gtj h GLN 13 CO 1.40 0.44 -0.11 0.93 0.09 0.00 0.00 178.83 181.58 2gtj h GLU 14 N 0.68 0.00 0.00 0.06 3.07 -2.00 -2.88 114.58 113.50 2gtj h GLU 14 Ca 0.24 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.03 2gtj h GLU 14 Cb 0.11 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 2gtj h GLU 14 CO -0.07 0.11 -0.44 -0.84 -1.40 0.00 0.00 179.01 176.37 2gtj h ILE 15 N 0.00 0.52 -0.00 3.13 3.07 -1.57 -2.95 117.51 119.71 2gtj h ILE 15 Ca -0.00 -1.75 0.00 0.00 1.55 0.00 0.00 64.86 64.66 2gtj h ILE 15 Cb 0.36 2.21 0.00 0.00 -0.27 0.00 0.00 36.82 39.12 2gtj h ILE 15 CO 0.01 0.30 -0.10 0.29 -1.05 0.00 0.00 178.15 177.60 2gtj n LYS 16 N -3.13 0.11 -0.00 0.16 5.02 -1.09 -0.55 118.16 118.67 2gtj n LYS 16 Ca 0.02 -0.02 0.06 0.00 -2.02 0.00 0.00 58.31 56.35 2gtj n LYS 16 Cb 0.67 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 34.23 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 -1.43 0.80 0.00 1.97 5.02 -1.12 -3.87 118.16 119.54 2gtj n LYS 17 Ca 0.08 -1.27 -0.04 0.00 -2.02 0.00 0.00 58.31 55.06 2gtj n LYS 17 Cb 0.32 -1.25 -0.01 0.00 -0.02 0.00 0.00 35.03 34.07 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 0.73 0.16 0.03 1.97 3.00 -0.65 -4.77 118.16 118.63 2gtj n LYS 18 Ca 0.08 0.06 -0.13 0.00 -0.00 0.00 0.00 58.31 58.32 2gtj n LYS 18 Cb 0.32 -0.77 -0.14 0.00 0.00 0.00 0.00 35.03 34.44 2gtj n LYS 18 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.40 177.75 2gtj h PHE 19 N -0.29 0.24 -4.37 5.64 3.04 -1.11 -3.44 116.94 116.66 2gtj h PHE 19 Ca -0.03 -0.18 0.00 0.00 3.98 0.00 0.00 57.97 61.74 2gtj h PHE 19 Cb 0.42 -0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.89 2gtj h PHE 19 CO -0.11 1.24 -0.84 1.63 -2.02 0.00 0.00 178.31 178.21 2gtj n LYS 20 N -3.31 -2.65 -0.05 1.11 5.02 -1.19 -4.48 118.16 112.60 2gtj n LYS 20 Ca -0.15 2.22 -0.05 0.00 -2.02 0.00 0.00 58.31 58.32 2gtj n LYS 20 Cb 1.03 -3.83 -0.02 0.00 -0.02 0.00 0.00 35.03 32.19 2gtj n LYS 20 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2gtj n LEU 21 N 0.75 1.00 -2.87 -0.35 7.99 -1.26 -4.86 117.00 117.40 2gtj n LEU 21 Ca -0.12 0.18 -0.08 0.00 -0.01 0.00 0.00 56.01 55.97 2gtj n LEU 21 Cb 0.19 -0.63 0.01 0.00 -0.11 0.00 0.00 43.42 42.88 2gtj n LEU 21 CO 0.29 -0.38 -0.11 0.41 -1.51 0.00 0.00 177.39 176.08 2gtj n THR 22 N -3.51-10.71 0.00 -5.08 -1.04 -1.26 -4.98 114.28 87.70 2gtj n THR 22 Ca -0.07 1.06 0.00 0.00 -2.04 0.00 0.00 64.05 63.00 2gtj n THR 22 Cb 0.26 -6.91 0.00 0.00 -1.82 0.00 0.00 70.33 61.87 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 -0.03 3.11 3.61 3.41 0.00 -1.26 -5.08 105.19 108.95 2gtj n GLY 23 Ca 0.08 -0.90 -0.46 0.00 0.00 0.00 0.00 46.02 44.74 2gtj n GLY 23 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2gtj n PRO 24 N 0.00 1.47 -4.23 1.61 -0.02 -1.26 -5.00 135.00 127.57 2gtj n PRO 24 Ca 0.00 0.52 -0.21 0.00 -2.02 0.00 0.00 63.50 61.79 2gtj n PRO 24 Cb 0.00 -1.98 -0.12 0.00 -0.02 0.00 0.00 33.50 31.37 2gtj n PRO 24 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 2gtj s ILE 25 N -0.66 1.42 0.54 4.25 2.07 -1.26 -5.15 121.20 122.41 2gtj s ILE 25 Ca 0.64 -1.47 0.08 0.00 -1.41 0.00 0.00 60.65 58.49 2gtj s ILE 25 Cb -0.72 -1.36 0.07 0.00 0.13 0.00 0.00 42.46 40.58 2gtj s ILE 25 CO 0.56 -0.17 0.74 0.00 -1.91 0.00 0.00 174.94 174.16 2gtj s GLN 26 N -1.94 2.43 0.10 3.50 -2.07 -1.26 -5.03 119.66 115.39 2gtj s GLN 26 Ca 0.03 -1.47 -0.30 0.00 -1.82 0.00 0.00 55.36 51.80 2gtj s GLN 26 Cb -0.09 -2.66 -0.06 0.00 -1.09 0.00 0.00 33.01 29.11 2gtj s GLN 26 CO 0.03 -0.72 1.16 0.08 -1.32 0.00 0.00 175.29 174.53 2gtj s VAL 27 N -2.60 4.00 -0.12 3.63 1.01 -1.26 -4.46 120.40 120.60 2gtj s VAL 27 Ca 0.60 1.52 0.08 0.00 0.00 0.00 0.00 61.98 64.19 2gtj s VAL 27 Cb -0.07 -3.98 -0.24 0.00 0.00 0.00 0.00 36.38 32.10 2gtj s VAL 27 CO 0.38 0.17 0.37 -0.38 0.00 0.00 0.00 175.10 175.63 2gtj n ILE 28 N 3.38 1.59 -3.64 2.22 2.08 0.13 -4.98 119.36 120.13 2gtj n ILE 28 Ca 0.07 -0.76 -0.06 0.00 0.56 0.00 0.00 62.75 62.56 2gtj n ILE 28 Cb 0.46 -1.10 -0.02 0.00 -0.75 0.00 0.00 39.64 38.24 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 -0.23 -0.29 1.39 3.76 -1.17 -5.01 115.29 111.19 2gtj s HIS 29 Ca -0.13 -0.01 -0.07 0.00 -0.15 0.00 0.00 55.06 54.70 2gtj s HIS 29 Cb 0.07 0.60 0.00 0.00 1.11 0.00 0.00 32.58 34.36 2gtj s HIS 29 CO 0.79 -0.71 0.08 -0.51 -0.85 0.00 0.00 174.74 173.54 2gtj s LEU 30 N -2.75 3.77 0.36 0.89 1.02 -1.26 -0.07 118.68 120.63 2gtj s LEU 30 Ca 0.09 -0.59 -0.01 0.00 0.02 0.00 0.00 54.13 53.64 2gtj s LEU 30 Cb -0.01 -1.90 -0.04 0.00 0.02 0.00 0.00 46.19 44.27 2gtj s LEU 30 CO -0.03 -0.16 0.58 0.00 0.02 0.00 0.00 176.35 176.76 2gtj s ALA 31 N 1.53 3.65 -0.18 4.21 0.00 0.15 -1.38 121.76 129.74 2gtj s ALA 31 Ca 0.04 -0.82 -0.05 0.00 0.00 0.00 0.00 51.96 51.13 2gtj s ALA 31 Cb -0.17 -2.19 -0.03 0.00 0.00 0.00 0.00 23.12 20.73 2gtj s ALA 31 CO 0.03 -0.03 0.00 0.21 0.00 0.00 0.00 175.76 175.97 2gtj s LYS 32 N -4.28 3.73 -0.36 0.00 2.20 0.17 0.56 119.74 121.76 2gtj s LYS 32 Ca 0.41 -0.47 -0.28 0.00 -0.36 0.00 0.00 55.97 55.27 2gtj s LYS 32 Cb -0.10 -3.06 -0.04 0.00 -1.51 0.00 0.00 37.83 33.13 2gtj s LYS 32 CO 0.36 0.16 2.04 0.00 -0.36 0.00 0.00 175.35 177.56 2gtj s ALA 33 N 0.61 2.53 -0.26 3.13 0.00 -1.26 -0.99 121.76 125.52 2gtj s ALA 33 Ca -0.00 0.27 0.28 0.00 0.00 0.00 0.00 51.96 52.50 2gtj s ALA 33 Cb -0.14 -4.13 0.84 0.00 0.00 0.00 0.00 23.12 19.69 2gtj s ALA 33 CO 0.02 -3.15 1.78 0.00 0.00 0.00 0.00 175.76 174.41 2gtj s ASP 36 N -2.74 6.39 0.15 0.00 1.47 -1.26 -3.55 116.67 117.12 2gtj s ASP 36 Ca 0.02 -0.20 0.09 0.00 1.18 0.00 0.00 52.55 53.64 2gtj s ASP 36 Cb 0.02 -2.40 -0.04 0.00 -0.34 0.00 0.00 42.92 40.16 2gtj s ASP 36 CO -0.11 -1.01 -0.15 0.54 0.68 0.00 0.00 175.17 175.12 2gtj s VAL 37 N 3.47 2.97 -1.83 2.11 0.11 -0.05 -4.88 120.40 122.29 2gtj s VAL 37 Ca 0.30 -1.63 0.20 0.00 -2.93 0.00 0.00 61.98 57.92 2gtj s VAL 37 Cb -0.12 -2.42 0.52 0.00 -1.53 0.00 0.00 36.38 32.82 2gtj s VAL 37 CO 0.21 -0.02 1.43 2.29 -3.33 0.00 0.00 175.10 175.69 2gtj n LYS 38 N 0.38 2.66 -1.20 1.54 0.00 -1.26 -1.26 118.16 119.01 2gtj n LYS 38 Ca -0.13 -2.43 0.00 0.00 -0.00 0.00 0.00 58.31 55.76 2gtj n LYS 38 Cb 0.54 -1.49 0.00 0.00 -0.00 0.00 0.00 35.03 34.09 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 1.36 0.90 3.57 2.58 0.00 -1.17 -4.42 105.19 108.01 2gtj n GLY 39 Ca 0.20 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.78 1.67 -0.26 -0.02 0.00 -1.26 -4.41 107.32 100.25 2gtj s GLY 40 Ca 0.00 -2.94 -0.08 0.00 0.00 0.00 0.00 44.72 41.71 2gtj s GLY 40 CO 0.00 2.70 0.28 0.28 0.00 0.00 0.00 173.10 176.36 2gtj n LYS 41 N 8.28 -1.81 -0.86 2.90 5.02 -1.26 -4.59 118.16 125.84 2gtj n LYS 41 Ca 0.48 1.72 0.00 0.00 -2.02 0.00 0.00 58.31 58.49 2gtj n LYS 41 Cb 0.46 -4.18 0.00 0.00 -0.02 0.00 0.00 35.03 31.29 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 -0.12 -0.95 -4.66 4.39 3.02 -1.26 -5.09 115.26 110.58 2gtj n ASN 42 Ca 0.06 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.30 2gtj n ASN 42 Cb 0.22 -0.27 -0.09 0.00 -0.61 0.00 0.00 39.78 39.03 2gtj n ASN 42 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2gtj s GLU 43 N -2.01 2.07 0.09 3.52 8.01 -1.17 -4.53 118.70 124.67 2gtj s GLU 43 Ca 0.00 -2.26 -0.05 0.00 0.01 0.00 0.00 54.97 52.67 2gtj s GLU 43 Cb 0.00 -1.50 -0.05 0.00 -4.31 0.00 0.00 34.13 28.27 2gtj s GLU 43 CO 0.00 -0.24 0.33 -1.17 0.01 0.00 0.00 175.26 174.19 2gtj s LEU 44 N -3.78 4.32 -0.25 1.80 2.96 -0.94 -4.54 118.68 118.24 2gtj s LEU 44 Ca 0.19 0.57 -0.14 0.00 -0.22 0.00 0.00 54.13 54.53 2gtj s LEU 44 Cb 0.05 -3.05 -0.04 0.00 0.50 0.00 0.00 46.19 43.64 2gtj s LEU 44 CO 0.10 0.14 0.31 -0.94 -1.32 0.00 0.00 176.35 174.64 2gtj s SER 45 N -2.16 6.22 0.14 3.68 1.04 -1.26 -3.07 113.70 118.29 2gtj s SER 45 Ca 0.36 0.25 -0.18 0.00 0.48 0.00 0.00 55.95 56.85 2gtj s SER 45 Cb -0.13 -2.18 0.05 0.00 0.10 0.00 0.00 66.02 63.86 2gtj s SER 45 CO 0.22 -0.10 0.46 0.72 0.98 0.00 0.00 173.24 175.52 2gtj s PHE 46 N 1.71 -0.31 0.13 5.02 -0.12 -0.39 -4.95 117.98 119.07 2gtj s PHE 46 Ca 0.13 0.02 0.06 0.00 -0.05 0.00 0.00 56.93 57.09 2gtj s PHE 46 Cb -0.15 0.35 -0.04 0.00 -0.63 0.00 0.00 43.02 42.55 2gtj s PHE 46 CO 0.09 -0.75 0.02 0.15 -0.05 0.00 0.00 175.22 174.68 2gtj s LYS 47 N -3.79 2.56 -0.07 1.99 -0.14 -1.26 -0.87 119.74 118.16 2gtj s LYS 47 Ca 0.02 -0.93 -0.29 0.00 -1.36 0.00 0.00 55.97 53.41 2gtj s LYS 47 Cb 0.01 -2.50 -0.07 0.00 -1.68 0.00 0.00 37.83 33.59 2gtj s LYS 47 CO -0.12 0.50 1.93 -1.14 -0.76 0.00 0.00 175.35 175.76 2gtj s GLN 48 N -2.66 3.88 0.00 1.68 -0.44 -1.23 -1.50 119.66 119.38 2gtj s GLN 48 Ca 0.27 2.29 0.00 0.00 -2.50 0.00 0.00 55.36 55.43 2gtj s GLN 48 Cb -0.11 -4.17 0.00 0.00 -1.64 0.00 0.00 33.01 27.10 2gtj s GLN 48 CO 0.19 -1.24 0.00 0.41 0.50 0.00 0.00 175.29 175.15 2gtj n GLY 49 N 4.77 0.90 0.08 2.59 0.00 -0.24 -4.91 105.19 108.37 2gtj n GLY 49 Ca 0.22 -0.53 0.01 0.00 0.00 0.00 0.00 46.02 45.72 2gtj n GLY 49 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gtj n GLU 50 N -1.80 0.65 -0.67 1.61 -0.58 -0.56 -4.94 120.64 114.35 2gtj n GLU 50 Ca 0.00 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 2gtj n GLU 50 Cb 0.13 -1.67 0.00 0.00 -0.57 0.00 0.00 31.44 29.33 2gtj n GLU 50 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2gtj n GLN 51 N -2.69 -1.89 -4.42 3.49 7.27 -1.26 -4.94 117.38 112.94 2gtj n GLN 51 Ca -0.14 1.38 -0.20 0.00 0.07 0.00 0.00 57.00 58.12 2gtj n GLN 51 Cb 0.84 -1.54 -0.11 0.00 2.41 0.00 0.00 30.24 31.85 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 -1.89 1.04 -0.06 1.69 1.01 0.19 -4.83 121.20 118.35 2gtj s ILE 52 Ca 0.00 -2.00 0.06 0.00 0.00 0.00 0.00 60.65 58.70 2gtj s ILE 52 Cb 0.00 -2.75 -0.01 0.00 0.01 0.00 0.00 42.46 39.71 2gtj s ILE 52 CO 0.00 -0.01 -0.23 -1.61 0.00 0.00 0.00 174.94 173.09 2gtj s GLU 53 N -3.92 2.59 -0.17 2.79 2.02 0.12 0.33 118.70 122.46 2gtj s GLU 53 Ca 0.37 -0.87 -0.17 0.00 0.02 0.00 0.00 54.97 54.31 2gtj s GLU 53 Cb 0.08 -2.21 -0.04 0.00 0.10 0.00 0.00 34.13 32.07 2gtj s GLU 53 CO 0.15 0.40 0.44 -1.50 0.02 0.00 0.00 175.26 174.77 2gtj s ILE 54 N -0.19 5.19 -0.06 -1.63 1.10 0.90 -0.29 121.20 126.21 2gtj s ILE 54 Ca -0.02 0.82 -0.08 0.00 -0.51 0.00 0.00 60.65 60.86 2gtj s ILE 54 Cb -0.14 -3.77 -0.04 0.00 0.15 0.00 0.00 42.46 38.67 2gtj s ILE 54 CO 0.03 0.27 -0.16 2.30 -2.11 0.00 0.00 174.94 175.28 2gtj n ILE 55 N 4.09 1.15 -5.17 2.00 -0.00 -0.67 0.19 119.36 120.96 2gtj n ILE 55 Ca -0.07 0.14 -0.32 0.00 -0.00 0.00 0.00 62.75 62.50 2gtj n ILE 55 Cb 0.51 -1.85 -0.16 0.00 -0.00 0.00 0.00 39.64 38.13 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 2.93 -0.03 6.28 3.52 -1.19 -4.52 118.95 123.57 2gtj s ARG 56 Ca -0.15 -0.86 0.02 0.00 -0.13 0.00 0.00 55.73 54.62 2gtj s ARG 56 Cb 0.03 -2.30 -0.04 0.00 -1.56 0.00 0.00 34.95 31.09 2gtj s ARG 56 CO 0.20 0.26 -0.00 0.44 -0.81 0.00 0.00 175.30 175.39 2gtj n ILE 57 N 3.31 0.22 -4.09 4.11 -0.00 -1.26 0.11 119.36 121.76 2gtj n ILE 57 Ca -0.18 -0.12 -0.22 0.00 -0.00 0.00 0.00 62.75 62.22 2gtj n ILE 57 Cb 0.53 -0.85 -0.05 0.00 -0.00 0.00 0.00 39.64 39.27 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 -2.08 4.06 -0.58 7.28 -4.23 -1.26 -4.79 115.64 114.04 2gtj s THR 58 Ca -0.03 -1.50 -0.00 0.00 -1.18 0.00 0.00 61.69 58.98 2gtj s THR 58 Cb 0.01 -3.25 -0.00 0.00 1.34 0.00 0.00 72.50 70.59 2gtj s THR 58 CO 0.12 -0.32 0.55 -0.67 -0.54 0.00 0.00 174.62 173.76 2gtj n ASP 59 N -1.16 -6.35 -3.98 3.99 2.03 -1.26 -5.08 116.55 104.74 2gtj n ASP 59 Ca -0.06 -0.09 -0.09 0.00 0.52 0.00 0.00 54.79 55.06 2gtj n ASP 59 Cb 0.59 -4.27 -0.08 0.00 -0.72 0.00 0.00 41.12 36.64 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 -2.81 0.16 -0.02 1.67 2.20 -1.26 -4.78 114.94 110.10 2gtj s ASN 60 Ca 0.03 -0.89 0.17 0.00 -0.94 0.00 0.00 52.86 51.23 2gtj s ASN 60 Cb -0.00 0.36 0.53 0.00 -2.00 0.00 0.00 41.25 40.13 2gtj s ASN 60 CO 0.57 -0.79 1.44 -0.81 -2.94 0.00 0.00 177.10 174.57 2gtj n PRO 61 N -0.12 2.52 0.00 3.55 -0.04 -1.26 -4.43 135.00 135.22 2gtj n PRO 61 Ca -0.10 -2.15 0.00 0.00 -0.04 0.00 0.00 63.50 61.21 2gtj n PRO 61 Cb 0.63 -1.52 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 2gtj n PRO 61 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2gtj n GLU 62 N 1.15 3.38 -0.09 0.54 4.07 -1.26 -5.00 120.64 123.43 2gtj n GLU 62 Ca 0.20 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.30 2gtj n GLU 62 Cb 0.54 -0.93 0.00 0.00 -0.06 0.00 0.00 31.44 31.00 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 2.62 0.71 3.94 8.31 0.00 -1.26 -5.07 105.19 114.45 2gtj n GLY 63 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.91 3.19 0.41 1.61 -2.85 -1.26 -4.77 119.74 115.15 2gtj s LYS 64 Ca 0.00 -0.36 0.08 0.00 -1.00 0.00 0.00 55.97 54.69 2gtj s LYS 64 Cb 0.00 -2.55 -0.00 0.00 -2.06 0.00 0.00 37.83 33.22 2gtj s LYS 64 CO 0.00 -0.20 0.51 -1.58 0.10 0.00 0.00 175.35 174.17 2gtj s TRP 65 N -2.55 2.81 -0.33 1.78 0.51 0.36 -4.90 118.94 116.62 2gtj s TRP 65 Ca 0.47 -0.41 -0.06 0.00 -2.12 0.00 0.00 56.10 53.98 2gtj s TRP 65 Cb -0.10 -2.29 0.04 0.00 -0.81 0.00 0.00 33.47 30.31 2gtj s TRP 65 CO 0.39 -0.30 0.10 -1.17 -0.51 0.00 0.00 176.95 175.45 2gtj s LEU 66 N -4.27 4.25 -0.01 2.99 2.96 0.12 -0.53 118.68 124.19 2gtj s LEU 66 Ca 0.52 -1.10 0.04 0.00 -0.22 0.00 0.00 54.13 53.37 2gtj s LEU 66 Cb -0.08 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.71 2gtj s LEU 66 CO 0.31 -0.31 -0.11 -0.83 -1.32 0.00 0.00 176.35 174.09 2gtj s GLY 67 N 1.41 1.65 0.17 7.98 0.00 -1.26 -1.67 107.32 115.59 2gtj s GLY 67 Ca -0.01 -1.03 0.09 0.00 0.00 0.00 0.00 44.72 43.77 2gtj s GLY 67 CO 0.03 -0.87 -0.19 -1.60 0.00 0.00 0.00 173.10 170.47 2gtj s ARG 68 N -1.18 1.31 0.30 2.90 3.52 0.60 -1.54 118.95 124.86 2gtj s ARG 68 Ca 0.15 -1.42 0.09 0.00 -0.13 0.00 0.00 55.73 54.42 2gtj s ARG 68 Cb -0.11 -1.40 -0.05 0.00 -1.56 0.00 0.00 34.95 31.83 2gtj s ARG 68 CO 0.05 0.29 0.02 0.99 -0.81 0.00 0.00 175.30 175.84 2gtj s THR 69 N -1.98 3.16 0.55 4.11 2.01 -0.51 -0.70 115.64 122.29 2gtj s THR 69 Ca 0.16 -1.89 0.32 0.00 0.31 0.00 0.00 61.69 60.59 2gtj s THR 69 Cb -0.06 -2.84 0.48 0.00 0.01 0.00 0.00 72.50 70.09 2gtj s THR 69 CO 0.07 -0.30 1.84 0.00 -0.69 0.00 0.00 174.62 175.54 2gtj h ALA 70 N 1.81 2.80 0.00 7.40 0.00 -1.92 0.39 119.26 129.75 2gtj h ALA 70 Ca -0.44 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 2gtj h ALA 70 Cb 1.25 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2gtj h ALA 70 CO 0.62 -1.16 -0.43 -0.09 0.00 0.00 0.00 179.25 178.19 2gtj h ARG 71 N 0.00 0.00 -0.59 0.00 9.65 -2.04 -3.47 114.38 117.94 2gtj h ARG 71 Ca 0.43 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.31 2gtj h ARG 71 Cb 1.82 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.40 2gtj h ARG 71 CO -0.00 0.43 0.00 0.41 2.80 0.00 0.00 179.97 183.60 2gtj n GLY 72 N -0.08 0.63 2.73 2.80 0.00 0.14 -4.97 105.19 106.43 2gtj n GLY 72 Ca -0.01 -0.64 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.02 1.83 -0.33 1.61 0.01 -1.23 -4.84 113.70 108.73 2gtj s SER 73 Ca 0.00 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.02 2gtj s SER 73 Cb 0.00 -0.39 0.08 0.00 0.21 0.00 0.00 66.02 65.91 2gtj s SER 73 CO 0.00 -0.24 0.04 -0.31 0.41 0.00 0.00 173.24 173.14 2gtj s TYR 74 N 2.00 3.47 -2.51 2.43 1.51 -1.26 -1.42 117.35 121.58 2gtj s TYR 74 Ca 0.04 -2.38 0.21 0.00 -1.01 0.00 0.00 57.07 53.92 2gtj s TYR 74 Cb -0.13 -2.55 0.19 0.00 -0.11 0.00 0.00 41.96 39.36 2gtj s TYR 74 CO -0.06 -0.90 1.18 0.41 -1.11 0.00 0.00 175.55 175.07 2gtj n GLY 75 N 4.48 0.79 3.14 0.71 0.00 -0.59 -4.89 105.19 108.83 2gtj n GLY 75 Ca -0.06 -0.60 -0.21 0.00 0.00 0.00 0.00 46.02 45.15 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 1.17 -3.11 -2.20 1.61 4.11 -1.26 -2.21 117.16 115.29 2gtj n TYR 76 Ca 0.13 1.27 -0.39 0.00 -0.00 0.00 0.00 57.90 58.91 2gtj n TYR 76 Cb 0.52 -3.05 -0.02 0.00 -0.00 0.00 0.00 39.34 36.80 2gtj n TYR 76 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.86 177.82 2gtj s ILE 77 N -2.07 2.92 -0.34 -3.48 -4.36 0.31 -4.13 121.20 110.05 2gtj s ILE 77 Ca 0.30 0.84 -0.29 0.00 -0.26 0.00 0.00 60.65 61.24 2gtj s ILE 77 Cb -0.05 -3.50 0.02 0.00 1.25 0.00 0.00 42.46 40.17 2gtj s ILE 77 CO 0.80 0.14 1.06 -1.59 0.24 0.00 0.00 174.94 175.59 2gtj s LYS 78 N -2.06 4.00 0.30 0.37 -2.85 -1.26 -0.49 119.74 117.75 2gtj s LYS 78 Ca 0.54 0.96 0.19 0.00 -1.00 0.00 0.00 55.97 56.66 2gtj s LYS 78 Cb -0.35 -3.76 1.06 0.00 -2.06 0.00 0.00 37.83 32.71 2gtj s LYS 78 CO 0.46 -0.96 1.18 0.25 0.10 0.00 0.00 175.35 176.38 2gtj n THR 79 N 5.99 -0.26 0.58 3.79 -2.24 -1.26 0.17 114.28 121.04 2gtj n THR 79 Ca 0.11 1.45 0.07 0.00 -2.27 0.00 0.00 64.05 63.41 2gtj n THR 79 Cb 0.47 -2.36 0.32 0.00 -2.10 0.00 0.00 70.33 66.66 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 -4.48 0.78 1.09 4.28 5.66 -1.26 -1.74 114.28 118.62 2gtj n THR 80 Ca 0.29 0.20 0.12 0.00 -3.05 0.00 0.00 64.05 61.61 2gtj n THR 80 Cb 1.06 -0.97 0.17 0.00 -1.55 0.00 0.00 70.33 69.04 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 -1.35 3.59 -2.23 1.79 0.00 0.13 -4.86 120.51 117.57 2gtj n ALA 81 Ca 0.05 -0.49 -0.13 0.00 0.00 0.00 0.00 53.44 52.88 2gtj n ALA 81 Cb 0.12 -0.98 -0.10 0.00 0.00 0.00 0.00 19.45 18.49 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 -2.69 0.30 -0.12 0.00 -7.23 -0.71 -0.32 120.40 109.63 2gtj s VAL 82 Ca 0.17 -1.98 -0.02 0.00 -1.81 0.00 0.00 61.98 58.34 2gtj s VAL 82 Cb 0.18 -2.36 0.04 0.00 0.56 0.00 0.00 36.38 34.80 2gtj s VAL 82 CO 0.63 -0.20 0.02 -1.61 -0.31 0.00 0.00 175.10 173.64 2gtj s GLU 83 N -4.05 0.55 0.71 4.82 2.02 -0.16 -4.77 118.70 117.81 2gtj s GLU 83 Ca 0.32 -0.08 -0.11 0.00 0.02 0.00 0.00 54.97 55.12 2gtj s GLU 83 Cb 0.07 -1.43 0.02 0.00 0.10 0.00 0.00 34.13 32.89 2gtj s GLU 83 CO 0.09 -0.46 1.08 0.96 0.02 0.00 0.00 175.26 176.95 2gtj s ILE 84 N 1.96 3.68 -0.29 -1.63 -4.36 -1.26 0.41 121.20 119.71 2gtj s ILE 84 Ca 0.03 0.55 -0.15 0.00 -0.26 0.00 0.00 60.65 60.81 2gtj s ILE 84 Cb -0.14 -3.43 -0.03 0.00 1.25 0.00 0.00 42.46 40.11 2gtj s ILE 84 CO -0.06 -0.71 0.38 -0.62 0.24 0.00 0.00 174.94 174.16 2gtj s ASP 85 N -4.11 6.24 0.45 4.36 2.15 -0.48 -4.83 116.67 120.44 2gtj s ASP 85 Ca 0.58 0.16 -0.10 0.00 0.43 0.00 0.00 52.55 53.62 2gtj s ASP 85 Cb -0.12 -2.21 -0.06 0.00 -0.30 0.00 0.00 42.92 40.23 2gtj s ASP 85 CO 0.53 -0.23 0.81 -0.31 -0.17 0.00 0.00 175.17 175.80 2gtj s TYR 86 N 2.08 3.50 -0.14 -5.34 1.51 -1.26 -4.47 117.35 113.23 2gtj s TYR 86 Ca 0.14 1.06 -0.00 0.00 -1.01 0.00 0.00 57.07 57.26 2gtj s TYR 86 Cb -0.16 -2.47 0.03 0.00 -0.11 0.00 0.00 41.96 39.25 2gtj s TYR 86 CO 0.11 -0.21 -0.07 0.34 -1.11 0.00 0.00 175.55 174.61 2gtj s ASP 87 N -3.40 2.54 0.19 2.29 2.15 -1.26 -5.12 116.67 114.06 2gtj s ASP 87 Ca 0.52 -0.50 -0.22 0.00 0.43 0.00 0.00 52.55 52.78 2gtj s ASP 87 Cb -0.10 -0.90 -0.08 0.00 -0.30 0.00 0.00 42.92 41.54 2gtj s ASP 87 CO 0.35 -0.15 0.74 -0.44 -0.17 0.00 0.00 175.17 175.51 2gtj s SER 88 N 1.66 7.21 -1.05 -0.34 0.01 -1.26 -5.00 113.70 114.93 2gtj s SER 88 Ca 0.03 1.52 -0.14 0.00 1.31 0.00 0.00 55.95 58.67 2gtj s SER 88 Cb -0.14 -2.45 0.20 0.00 0.21 0.00 0.00 66.02 63.84 2gtj s SER 88 CO -0.08 0.13 1.15 -0.76 0.41 0.00 0.00 173.24 174.08 2gtj s LEU 89 N -1.55 5.76 0.26 2.44 2.01 -1.26 -4.75 118.68 121.59 2gtj s LEU 89 Ca 0.39 -2.91 0.25 0.00 0.01 0.00 0.00 54.13 51.87 2gtj s LEU 89 Cb -0.20 -2.31 0.51 0.00 0.01 0.00 0.00 46.19 44.21 2gtj s LEU 89 CO 0.23 -0.65 1.58 0.07 1.01 0.00 0.00 176.35 178.59 2gtj h LYS 90 N 7.49 0.00 -0.43 1.70 2.10 -2.04 -3.09 116.57 122.30 2gtj h LYS 90 Ca 0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.85 2gtj h LYS 90 Cb 0.94 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 2gtj h LYS 90 CO 1.05 0.00 0.00 1.28 -2.00 0.00 0.00 179.45 179.78 2gtj n LEU 91 N -2.53 2.74 -3.84 7.07 4.77 -1.26 -4.67 117.00 119.27 2gtj n LEU 91 Ca 0.04 -1.29 -0.30 0.00 -0.03 0.00 0.00 56.01 54.43 2gtj n LEU 91 Cb 0.47 -0.28 -0.15 0.00 -2.33 0.00 0.00 43.42 41.13 2gtj n LEU 91 CO 0.33 0.65 -0.31 -0.75 -1.33 0.00 0.00 177.39 175.98 2gtj s LYS 92 N -1.43 1.12 -0.42 3.23 2.20 -1.17 -4.96 119.74 118.31 2gtj s LYS 92 Ca 0.36 -1.56 0.01 0.00 -0.36 0.00 0.00 55.97 54.42 2gtj s LYS 92 Cb 0.19 -2.53 0.24 0.00 -1.51 0.00 0.00 37.83 34.22 2gtj s LYS 92 CO 0.26 -1.00 1.01 0.36 -0.36 0.00 0.00 175.35 175.62 2gtj n LYS 93 N 4.38 0.40 -2.42 4.03 0.00 -1.26 -4.90 118.16 118.39 2gtj n LYS 93 Ca 0.02 -1.28 -0.43 0.00 -0.00 0.00 0.00 58.31 56.62 2gtj n LYS 93 Cb 0.40 -0.78 0.00 0.00 -0.00 0.00 0.00 35.03 34.65 2gtj n LYS 93 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2gtj n ASP 94 N 2.01 4.74 -3.30 -5.58 2.03 -1.26 -4.71 116.55 110.48 2gtj n ASP 94 Ca 0.09 -2.92 -0.25 0.00 0.52 0.00 0.00 54.79 52.22 2gtj n ASP 94 Cb 0.65 -1.69 -0.08 0.00 -0.72 0.00 0.00 41.12 39.28 2gtj n ASP 94 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2gtj n LEU 95 N 7.23 0.94 -0.05 -2.67 4.32 -1.26 -5.34 117.00 120.17 2gtj n LEU 95 Ca 0.48 -4.82 0.01 0.00 -0.02 0.00 0.00 56.01 51.65 2gtj n LEU 95 Cb 0.43 0.29 0.01 0.00 -1.62 0.00 0.00 43.42 42.53 2gtj n LEU 95 CO 0.78 2.02 0.27 -0.62 -1.22 0.00 0.00 177.39 178.62