#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gtj n LYS 2 N 0.00 1.56 -3.89 3.49 5.02 -1.26 -4.84 118.16 118.23 2gtj n LYS 2 Ca 0.00 -0.81 -0.09 0.00 -2.02 0.00 0.00 58.31 55.39 2gtj n LYS 2 Cb 0.00 -1.47 -0.08 0.00 -0.02 0.00 0.00 35.03 33.46 2gtj n LYS 2 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2gtj s LYS 3 N -1.98 0.76 0.57 1.97 -2.85 -1.26 -5.16 119.74 111.79 2gtj s LYS 3 Ca 0.39 -0.91 0.01 0.00 -1.00 0.00 0.00 55.97 54.46 2gtj s LYS 3 Cb 0.21 0.30 0.05 0.00 -2.06 0.00 0.00 37.83 36.33 2gtj s LYS 3 CO 0.33 -0.22 0.80 -1.21 0.10 0.00 0.00 175.35 175.15 2gtj s GLU 4 N -3.49 2.42 0.26 1.78 8.01 -1.26 -5.11 118.70 121.31 2gtj s GLU 4 Ca 0.02 -0.86 0.12 0.00 0.01 0.00 0.00 54.97 54.26 2gtj s GLU 4 Cb 0.04 -2.48 -0.05 0.00 -4.31 0.00 0.00 34.13 27.33 2gtj s GLU 4 CO -0.09 -0.81 -0.19 -0.65 0.01 0.00 0.00 175.26 173.53 2gtj s GLN 5 N -4.81 1.71 -0.81 1.61 -0.21 -1.26 -5.06 119.66 110.84 2gtj s GLN 5 Ca 0.59 -1.70 -0.20 0.00 0.02 0.00 0.00 55.36 54.07 2gtj s GLN 5 Cb -0.09 -1.82 0.11 0.00 1.00 0.00 0.00 33.01 32.21 2gtj s GLN 5 CO 0.39 0.34 1.03 0.15 -2.12 0.00 0.00 175.29 175.08 2gtj s LYS 6 N -3.39 3.38 -0.12 2.91 -0.14 -1.26 -4.77 119.74 116.35 2gtj s LYS 6 Ca 0.29 -1.43 -0.12 0.00 -1.36 0.00 0.00 55.97 53.35 2gtj s LYS 6 Cb -0.06 -4.62 -0.04 0.00 -1.68 0.00 0.00 37.83 31.43 2gtj s LYS 6 CO 0.15 -1.76 -0.23 0.39 -0.76 0.00 0.00 175.35 173.14 2gtj n GLU 7 N 6.86 0.36 0.00 1.68 1.02 -1.26 -5.03 120.64 124.27 2gtj n GLU 7 Ca 0.11 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 2gtj n GLU 7 Cb 0.47 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.72 2gtj n GLU 7 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2gtj n LYS 8 N -3.86 0.00 0.00 3.49 3.00 -1.26 -5.07 118.16 114.46 2gtj n LYS 8 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.22 2gtj n LYS 8 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.37 2gtj n LYS 8 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2gtj n GLU 9 N -1.69 0.00 -4.55 1.64 2.13 -1.26 -4.55 120.64 112.37 2gtj n GLU 9 Ca 0.00 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.55 2gtj n GLU 9 Cb 0.00 0.00 -0.17 0.00 0.27 0.00 0.00 31.44 31.54 2gtj n GLU 9 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2gtj s LYS 10 N 0.00 2.08 -0.06 5.31 2.36 -1.26 -5.10 119.74 123.07 2gtj s LYS 10 Ca 0.00 -0.52 -0.30 0.00 -2.55 0.00 0.00 55.97 52.60 2gtj s LYS 10 Cb 0.00 -1.74 -0.03 0.00 -1.05 0.00 0.00 37.83 35.01 2gtj s LYS 10 CO 0.00 -0.02 1.13 0.21 1.55 0.00 0.00 175.35 178.22 2gtj s LYS 11 N 0.85 4.40 0.15 4.03 2.20 -1.26 -5.03 119.74 125.07 2gtj s LYS 11 Ca -0.10 1.58 0.02 0.00 -0.36 0.00 0.00 55.97 57.10 2gtj s LYS 11 Cb -0.15 -3.53 0.02 0.00 -1.51 0.00 0.00 37.83 32.66 2gtj s LYS 11 CO 0.01 -0.36 0.14 0.39 -0.36 0.00 0.00 175.35 175.17 2gtj n GLU 12 N 4.93 1.17 0.00 4.03 -0.58 -1.26 -4.98 120.64 123.95 2gtj n GLU 12 Ca 0.10 -0.90 0.16 0.00 -0.42 0.00 0.00 57.16 56.09 2gtj n GLU 12 Cb 0.47 0.06 0.88 0.00 -0.57 0.00 0.00 31.44 32.28 2gtj n GLU 12 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2gtj n GLN 13 N -0.98 0.80 -1.58 3.49 7.27 -1.26 -4.84 117.38 120.28 2gtj n GLN 13 Ca 0.01 -0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2gtj n GLN 13 Cb 0.17 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.32 2gtj n GLN 13 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 2gtj n GLU 14 N -1.10 0.00 -0.00 3.69 1.02 -1.26 -4.99 120.64 118.00 2gtj n GLU 14 Ca 0.21 0.02 -0.12 0.00 -0.02 0.00 0.00 57.16 57.25 2gtj n GLU 14 Cb 0.16 -2.87 -0.14 0.00 -0.02 0.00 0.00 31.44 28.57 2gtj n GLU 14 CO 0.00 0.00 0.00 -0.84 1.18 0.00 0.00 177.13 177.47 2gtj h ILE 15 N 0.00 0.91 -0.00 -3.67 3.07 -1.92 -2.82 117.51 113.09 2gtj h ILE 15 Ca 0.00 -2.71 0.00 0.00 1.55 0.00 0.00 64.86 63.70 2gtj h ILE 15 Cb 0.77 2.51 0.00 0.00 -0.27 0.00 0.00 36.82 39.83 2gtj h ILE 15 CO 0.00 0.63 -0.53 2.29 -1.05 0.00 0.00 178.15 179.49 2gtj n LYS 16 N -3.19 0.10 0.03 0.16 2.85 -1.26 -0.12 118.16 116.72 2gtj n LYS 16 Ca -0.18 -0.06 0.03 0.00 -1.05 0.00 0.00 58.31 57.05 2gtj n LYS 16 Cb 1.04 -1.50 -0.09 0.00 -0.65 0.00 0.00 35.03 33.83 2gtj n LYS 16 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2gtj n LYS 17 N -1.40 0.63 -0.06 -1.58 0.00 -1.25 -2.76 118.16 111.74 2gtj n LYS 17 Ca 0.06 0.10 -0.03 0.00 0.00 0.00 0.00 58.31 58.44 2gtj n LYS 17 Cb 0.34 -1.73 -0.02 0.00 0.00 0.00 0.00 35.03 33.61 2gtj n LYS 17 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2gtj h LYS 18 N 0.00 0.00 0.04 1.64 1.63 -1.20 -3.40 116.57 115.28 2gtj h LYS 18 Ca -0.14 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 59.32 2gtj h LYS 18 Cb 1.43 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 33.01 2gtj h LYS 18 CO 0.03 0.16 -1.97 0.34 -3.45 0.00 0.00 179.45 174.56 2gtj n PHE 19 N -4.71 0.85 -1.79 1.91 -0.00 0.83 -4.74 117.46 109.81 2gtj n PHE 19 Ca -0.04 0.25 -0.01 0.00 -0.00 0.00 0.00 57.45 57.65 2gtj n PHE 19 Cb 0.14 -1.14 -0.00 0.00 -0.00 0.00 0.00 39.48 38.48 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 -3.16 -0.96 -0.09 -4.13 4.81 -1.11 -4.59 118.16 108.93 2gtj n LYS 20 Ca -0.26 1.13 -0.07 0.00 -0.87 0.00 0.00 58.31 58.23 2gtj n LYS 20 Cb 1.06 -2.06 -0.16 0.00 0.02 0.00 0.00 35.03 33.89 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 0.26 0.00 0.00 3.14 7.99 -1.26 -4.94 117.00 122.19 2gtj n LEU 21 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.96 2gtj n LEU 21 Cb 0.06 0.44 0.00 0.00 -0.11 0.00 0.00 43.42 43.81 2gtj n LEU 21 CO 0.11 0.44 0.00 0.35 -1.51 0.00 0.00 177.39 176.78 2gtj n THR 22 N -2.69 0.00 -4.25 -5.08 -2.24 -1.26 -4.81 114.28 93.95 2gtj n THR 22 Ca -0.29 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.35 2gtj n THR 22 Cb 1.09 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 69.22 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 1.16 -0.09 3.38 0.00 -1.26 -5.10 107.32 105.42 2gtj s GLY 23 Ca 0.00 -1.55 -0.29 0.00 0.00 0.00 0.00 44.72 42.88 2gtj s GLY 23 CO 0.00 -1.57 1.83 -4.14 0.00 0.00 0.00 173.10 169.22 2gtj s PRO 24 N -3.83 3.93 -0.06 2.90 0.02 -1.26 -4.98 135.00 131.71 2gtj s PRO 24 Ca 0.20 2.18 0.01 0.00 0.02 0.00 0.00 61.00 63.41 2gtj s PRO 24 Cb 0.05 -4.11 -0.03 0.00 0.02 0.00 0.00 34.50 30.42 2gtj s PRO 24 CO 0.02 -1.16 -0.06 -1.50 -0.33 0.00 0.00 177.00 173.97 2gtj s ILE 25 N 5.05 3.79 0.57 2.83 1.10 -1.26 -5.12 121.20 128.16 2gtj s ILE 25 Ca 0.82 -0.49 0.07 0.00 -0.51 0.00 0.00 60.65 60.53 2gtj s ILE 25 Cb -0.34 -2.57 0.07 0.00 0.15 0.00 0.00 42.46 39.77 2gtj s ILE 25 CO 0.34 0.57 0.78 0.00 -2.11 0.00 0.00 174.94 174.52 2gtj s GLN 26 N -0.92 2.32 0.14 3.50 -2.07 -1.26 -5.02 119.66 116.34 2gtj s GLN 26 Ca 0.13 -1.40 -0.30 0.00 -1.82 0.00 0.00 55.36 51.97 2gtj s GLN 26 Cb -0.11 -2.60 -0.07 0.00 -1.09 0.00 0.00 33.01 29.14 2gtj s GLN 26 CO 0.03 -0.83 1.16 0.08 -1.32 0.00 0.00 175.29 174.40 2gtj s VAL 27 N -2.69 3.86 -0.19 3.63 1.01 -1.26 -4.53 120.40 120.23 2gtj s VAL 27 Ca 0.61 1.49 0.14 0.00 0.00 0.00 0.00 61.98 64.22 2gtj s VAL 27 Cb -0.07 -3.95 -0.23 0.00 0.00 0.00 0.00 36.38 32.12 2gtj s VAL 27 CO 0.39 0.20 0.10 -0.38 0.00 0.00 0.00 175.10 175.41 2gtj n ILE 28 N 2.96 1.45 -3.67 2.22 5.41 0.66 -5.00 119.36 123.39 2gtj n ILE 28 Ca 0.05 -0.80 -0.08 0.00 1.00 0.00 0.00 62.75 62.93 2gtj n ILE 28 Cb 0.46 -0.74 -0.02 0.00 -0.71 0.00 0.00 39.64 38.63 2gtj n ILE 28 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 2gtj s HIS 29 N -2.51 -0.29 -0.28 1.39 3.76 -1.22 -5.00 115.29 111.13 2gtj s HIS 29 Ca -0.14 -0.02 -0.07 0.00 -0.15 0.00 0.00 55.06 54.68 2gtj s HIS 29 Cb 0.07 0.63 -0.00 0.00 1.11 0.00 0.00 32.58 34.38 2gtj s HIS 29 CO 0.79 -0.94 0.07 -0.51 -0.85 0.00 0.00 174.74 173.30 2gtj s LEU 30 N -2.81 3.70 0.15 0.89 1.02 -1.26 -0.46 118.68 119.91 2gtj s LEU 30 Ca 0.08 -0.56 -0.04 0.00 0.02 0.00 0.00 54.13 53.62 2gtj s LEU 30 Cb -0.03 -1.89 -0.05 0.00 0.02 0.00 0.00 46.19 44.24 2gtj s LEU 30 CO -0.02 -0.14 0.38 0.00 0.02 0.00 0.00 176.35 176.59 2gtj s ALA 31 N 1.53 3.80 -0.13 4.21 0.00 0.10 -0.39 121.76 130.88 2gtj s ALA 31 Ca 0.04 -0.59 -0.04 0.00 0.00 0.00 0.00 51.96 51.37 2gtj s ALA 31 Cb -0.16 -2.11 -0.03 0.00 0.00 0.00 0.00 23.12 20.81 2gtj s ALA 31 CO 0.02 0.64 -0.01 0.21 0.00 0.00 0.00 175.76 176.63 2gtj s LYS 32 N -2.74 3.48 -0.10 0.00 2.20 0.14 0.87 119.74 123.59 2gtj s LYS 32 Ca 0.41 -0.45 -0.29 0.00 -0.36 0.00 0.00 55.97 55.28 2gtj s LYS 32 Cb -0.12 -2.92 -0.06 0.00 -1.51 0.00 0.00 37.83 33.22 2gtj s LYS 32 CO 0.25 0.42 1.84 0.00 -0.36 0.00 0.00 175.35 177.50 2gtj s ALA 33 N -0.09 3.37 -0.54 3.13 0.00 -1.26 -0.74 121.76 125.63 2gtj s ALA 33 Ca 0.04 0.91 0.24 0.00 0.00 0.00 0.00 51.96 53.15 2gtj s ALA 33 Cb -0.13 -3.86 0.53 0.00 0.00 0.00 0.00 23.12 19.66 2gtj s ALA 33 CO 0.02 -1.83 1.68 0.00 0.00 0.00 0.00 175.76 175.63 2gtj s ASP 36 N -2.83 6.25 0.15 0.00 -4.77 -1.26 -3.54 116.67 110.67 2gtj s ASP 36 Ca 0.05 -0.56 0.08 0.00 -3.30 0.00 0.00 52.55 48.81 2gtj s ASP 36 Cb 0.02 -2.27 -0.04 0.00 -1.09 0.00 0.00 42.92 39.54 2gtj s ASP 36 CO -0.10 -0.69 -0.08 0.54 0.70 0.00 0.00 175.17 175.54 2gtj s VAL 37 N 2.46 3.34 -2.07 2.11 0.11 -0.19 -4.90 120.40 121.26 2gtj s VAL 37 Ca 0.17 -1.48 0.17 0.00 -2.93 0.00 0.00 61.98 57.90 2gtj s VAL 37 Cb -0.16 -2.63 0.45 0.00 -1.53 0.00 0.00 36.38 32.51 2gtj s VAL 37 CO 0.16 -0.03 1.40 2.29 -3.33 0.00 0.00 175.10 175.58 2gtj n LYS 38 N 0.24 2.18 -2.70 1.54 2.85 -1.26 -1.50 118.16 119.50 2gtj n LYS 38 Ca -0.12 -1.82 -0.10 0.00 -1.05 0.00 0.00 58.31 55.22 2gtj n LYS 38 Cb 0.54 -1.41 0.05 0.00 -0.65 0.00 0.00 35.03 33.56 2gtj n LYS 38 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2gtj n GLY 39 N 1.32 -0.39 3.85 2.58 0.00 -1.14 -4.56 105.19 106.86 2gtj n GLY 39 Ca 0.17 0.22 -0.21 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.37 1.55 -1.52 -0.02 0.00 -1.26 -4.05 107.32 98.65 2gtj s GLY 40 Ca 0.25 -1.50 -0.05 0.00 0.00 0.00 0.00 44.72 43.42 2gtj s GLY 40 CO 0.48 -1.49 0.48 0.28 0.00 0.00 0.00 173.10 172.86 2gtj n LYS 41 N -1.29 -4.12 -2.95 2.90 4.76 -1.26 -2.19 118.16 114.01 2gtj n LYS 41 Ca -0.05 0.84 -0.12 0.00 -2.87 0.00 0.00 58.31 56.11 2gtj n LYS 41 Cb 0.59 -5.64 0.06 0.00 -1.84 0.00 0.00 35.03 28.20 2gtj n LYS 41 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2gtj n ASN 42 N -2.39 -2.61 -4.91 4.39 3.02 -1.26 -5.07 115.26 106.43 2gtj n ASN 42 Ca -0.12 -0.45 -0.27 0.00 -0.03 0.00 0.00 54.58 53.72 2gtj n ASN 42 Cb 0.62 -3.75 -0.00 0.00 -0.61 0.00 0.00 39.78 36.03 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 -4.77 2.24 0.12 3.52 8.01 -0.93 -4.16 118.70 122.73 2gtj s GLU 43 Ca 0.06 -2.06 -0.02 0.00 0.01 0.00 0.00 54.97 52.96 2gtj s GLU 43 Cb -0.01 -2.07 -0.05 0.00 -4.31 0.00 0.00 34.13 27.69 2gtj s GLU 43 CO 0.51 -0.66 0.31 -1.17 0.01 0.00 0.00 175.26 174.26 2gtj s LEU 44 N -4.30 4.30 -0.19 1.80 0.20 -1.23 -4.47 118.68 114.80 2gtj s LEU 44 Ca 0.32 0.40 -0.15 0.00 0.69 0.00 0.00 54.13 55.39 2gtj s LEU 44 Cb -0.02 -3.13 -0.04 0.00 -0.43 0.00 0.00 46.19 42.57 2gtj s LEU 44 CO 0.20 0.08 0.37 -0.44 -0.29 0.00 0.00 176.35 176.27 2gtj s SER 45 N -2.67 6.44 0.19 3.68 0.01 -1.26 -2.88 113.70 117.21 2gtj s SER 45 Ca 0.38 0.51 -0.21 0.00 1.31 0.00 0.00 55.95 57.94 2gtj s SER 45 Cb -0.12 -2.22 0.05 0.00 0.21 0.00 0.00 66.02 63.94 2gtj s SER 45 CO 0.27 -0.03 0.59 0.72 0.41 0.00 0.00 173.24 175.21 2gtj s PHE 46 N 1.08 -0.34 0.07 2.43 -0.12 -0.56 -4.92 117.98 115.60 2gtj s PHE 46 Ca 0.18 0.04 0.05 0.00 -0.05 0.00 0.00 56.93 57.15 2gtj s PHE 46 Cb -0.14 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 42.74 2gtj s PHE 46 CO 0.07 -0.94 -0.05 0.15 -0.05 0.00 0.00 175.22 174.40 2gtj s LYS 47 N -3.82 2.41 -0.18 1.99 -0.14 -1.26 -1.03 119.74 117.72 2gtj s LYS 47 Ca 0.05 -0.86 -0.37 0.00 -1.36 0.00 0.00 55.97 53.43 2gtj s LYS 47 Cb -0.02 -2.46 -0.13 0.00 -1.68 0.00 0.00 37.83 33.54 2gtj s LYS 47 CO -0.06 0.55 1.84 0.94 -0.76 0.00 0.00 175.35 177.85 2gtj n GLN 48 N 0.90 1.73 -0.72 1.68 0.00 -1.23 -0.25 117.38 119.49 2gtj n GLN 48 Ca -0.13 0.63 0.00 0.00 -0.00 0.00 0.00 57.00 57.50 2gtj n GLN 48 Cb 0.52 -2.42 0.00 0.00 0.00 0.00 0.00 30.24 28.34 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 4.38 0.61 0.25 1.69 0.00 -0.20 -4.93 105.19 106.99 2gtj n GLY 49 Ca 0.25 -0.29 0.03 0.00 0.00 0.00 0.00 46.02 46.01 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 1.16 0.24 -3.24 1.61 4.57 -0.88 -3.46 114.58 114.58 2gtj h GLU 50 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2gtj h GLU 50 Cb 0.00 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.53 2gtj h GLU 50 CO 0.00 0.32 -0.19 1.04 -1.18 0.00 0.00 179.01 179.00 2gtj n GLN 51 N -4.34 -0.55 -3.83 1.92 6.02 -1.26 -4.99 117.38 110.35 2gtj n GLN 51 Ca -0.01 0.85 -0.21 0.00 -0.01 0.00 0.00 57.00 57.62 2gtj n GLN 51 Cb 0.21 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.94 2gtj n GLN 51 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2gtj s ILE 52 N -0.09 3.45 -0.03 5.09 1.01 0.25 -4.66 121.20 126.22 2gtj s ILE 52 Ca -0.03 -1.40 0.04 0.00 0.00 0.00 0.00 60.65 59.26 2gtj s ILE 52 Cb 0.00 -3.16 -0.00 0.00 0.01 0.00 0.00 42.46 39.31 2gtj s ILE 52 CO 0.10 -0.17 -0.15 -1.61 0.00 0.00 0.00 174.94 173.11 2gtj s GLU 53 N -3.99 1.50 -0.12 2.79 2.02 0.41 0.01 118.70 121.33 2gtj s GLU 53 Ca 0.41 -0.54 -0.17 0.00 0.02 0.00 0.00 54.97 54.69 2gtj s GLU 53 Cb -0.05 -1.35 -0.04 0.00 0.10 0.00 0.00 34.13 32.78 2gtj s GLU 53 CO 0.26 0.24 0.42 -1.50 0.02 0.00 0.00 175.26 174.70 2gtj s ILE 54 N -0.03 5.21 -0.06 -1.63 1.10 0.39 -0.18 121.20 126.01 2gtj s ILE 54 Ca -0.01 0.82 0.01 0.00 -0.51 0.00 0.00 60.65 60.96 2gtj s ILE 54 Cb -0.10 -3.75 -0.05 0.00 0.15 0.00 0.00 42.46 38.71 2gtj s ILE 54 CO 0.01 0.36 -0.04 2.30 -2.11 0.00 0.00 174.94 175.46 2gtj n ILE 55 N 3.52 0.36 -3.97 2.00 -0.00 -0.78 -0.24 119.36 120.25 2gtj n ILE 55 Ca -0.09 -0.15 -0.16 0.00 -0.00 0.00 0.00 62.75 62.35 2gtj n ILE 55 Cb 0.52 -0.76 -0.15 0.00 -0.00 0.00 0.00 39.64 39.25 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 -2.13 0.26 0.00 6.28 6.06 -1.16 -4.77 118.95 123.49 2gtj s ARG 56 Ca -0.07 -0.01 0.00 0.00 -2.50 0.00 0.00 55.73 53.15 2gtj s ARG 56 Cb 0.02 -0.35 0.00 0.00 0.06 0.00 0.00 34.95 34.68 2gtj s ARG 56 CO 0.16 -0.04 0.00 0.44 -2.50 0.00 0.00 175.30 173.36 2gtj n ILE 57 N 3.60 0.00 -4.39 4.11 -0.00 -1.26 -0.18 119.36 121.23 2gtj n ILE 57 Ca -0.20 -0.21 -0.24 0.00 -0.00 0.00 0.00 62.75 62.10 2gtj n ILE 57 Cb 0.54 0.77 -0.09 0.00 -0.00 0.00 0.00 39.64 40.86 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 -0.82 2.86 -0.74 7.28 -4.23 -1.26 -4.79 115.64 113.94 2gtj s THR 58 Ca 0.00 -2.15 -0.02 0.00 -1.18 0.00 0.00 61.69 58.35 2gtj s THR 58 Cb 0.00 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.35 2gtj s THR 58 CO 0.00 -0.34 0.67 -0.67 -0.54 0.00 0.00 174.62 173.74 2gtj n ASP 59 N -0.58 -7.10 -4.13 3.99 2.03 -1.26 -5.03 116.55 104.46 2gtj n ASP 59 Ca -0.07 -0.24 -0.24 0.00 0.52 0.00 0.00 54.79 54.77 2gtj n ASP 59 Cb 0.59 -4.42 -0.15 0.00 -0.72 0.00 0.00 41.12 36.42 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 -2.95 1.87 0.00 1.67 2.20 -1.26 -4.75 114.94 111.73 2gtj s ASN 60 Ca 0.02 -0.29 -0.24 0.00 -0.94 0.00 0.00 52.86 51.41 2gtj s ASN 60 Cb -0.00 -0.26 -0.18 0.00 -2.00 0.00 0.00 41.25 38.81 2gtj s ASN 60 CO 0.79 0.19 1.34 -0.65 -2.94 0.00 0.00 177.10 175.82 2gtj h PRO 61 N 5.83 0.08 0.00 3.55 0.11 -1.85 -3.34 132.00 136.38 2gtj h PRO 61 Ca -0.35 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.63 2gtj h PRO 61 Cb 1.16 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2gtj h PRO 61 CO 0.48 0.49 -0.96 0.93 -0.21 0.00 0.00 178.00 178.73 2gtj h GLU 62 N -0.33 0.00 0.00 1.05 5.08 -1.97 -3.47 114.58 114.94 2gtj h GLU 62 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2gtj h GLU 62 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2gtj h GLU 62 CO 0.01 0.23 0.00 0.41 -1.00 0.00 0.00 179.01 178.65 2gtj n GLY 63 N 1.27 0.84 3.92 -3.84 0.00 -1.25 -5.06 105.19 101.07 2gtj n GLY 63 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.76 3.26 0.66 1.61 -2.85 -1.26 -4.82 119.74 115.58 2gtj s LYS 64 Ca 0.00 -0.08 0.02 0.00 -1.00 0.00 0.00 55.97 54.91 2gtj s LYS 64 Cb 0.00 -2.43 0.10 0.00 -2.06 0.00 0.00 37.83 33.44 2gtj s LYS 64 CO 0.00 -0.30 0.91 -1.58 0.10 0.00 0.00 175.35 174.48 2gtj s TRP 65 N -2.71 1.79 -0.23 1.78 0.51 0.12 -4.86 118.94 115.35 2gtj s TRP 65 Ca 0.48 -0.32 0.02 0.00 -2.12 0.00 0.00 56.10 54.17 2gtj s TRP 65 Cb -0.10 -2.79 0.05 0.00 -0.81 0.00 0.00 33.47 29.81 2gtj s TRP 65 CO 0.42 -1.44 -0.12 -1.17 -0.51 0.00 0.00 176.95 174.13 2gtj s LEU 66 N -4.97 2.94 0.23 2.99 2.96 0.74 -0.18 118.68 123.39 2gtj s LEU 66 Ca 0.64 -1.16 0.09 0.00 -0.22 0.00 0.00 54.13 53.48 2gtj s LEU 66 Cb -0.06 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 2gtj s LEU 66 CO 0.42 -0.15 -0.06 -0.83 -1.32 0.00 0.00 176.35 174.41 2gtj s GLY 67 N 1.21 1.71 0.08 7.98 0.00 -1.18 -1.86 107.32 115.26 2gtj s GLY 67 Ca -0.05 -1.60 0.03 0.00 0.00 0.00 0.00 44.72 43.11 2gtj s GLY 67 CO -0.07 -1.65 -0.10 -1.60 0.00 0.00 0.00 173.10 169.68 2gtj s ARG 68 N -3.32 0.77 0.13 2.90 3.52 0.74 -1.75 118.95 121.94 2gtj s ARG 68 Ca 0.29 -1.05 0.02 0.00 -0.13 0.00 0.00 55.73 54.85 2gtj s ARG 68 Cb -0.07 -0.50 -0.04 0.00 -1.56 0.00 0.00 34.95 32.78 2gtj s ARG 68 CO 0.18 0.08 0.27 0.99 -0.81 0.00 0.00 175.30 176.01 2gtj s THR 69 N -2.12 5.34 0.54 4.11 2.01 -0.72 -0.44 115.64 124.35 2gtj s THR 69 Ca 0.01 -0.62 0.32 0.00 0.31 0.00 0.00 61.69 61.72 2gtj s THR 69 Cb -0.05 -3.72 0.49 0.00 0.01 0.00 0.00 72.50 69.24 2gtj s THR 69 CO 0.00 -0.04 1.88 0.00 -0.69 0.00 0.00 174.62 175.77 2gtj h ALA 70 N 2.35 2.88 0.00 7.40 0.00 -1.92 0.32 119.26 130.29 2gtj h ALA 70 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2gtj h ALA 70 Cb 1.19 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2gtj h ALA 70 CO 0.70 -1.15 -0.10 2.89 0.00 0.00 0.00 179.25 181.59 2gtj n ARG 71 N -4.26 0.12 -0.48 0.00 1.85 -1.26 -4.97 116.66 107.66 2gtj n ARG 71 Ca 0.19 0.08 0.00 0.00 -1.00 0.00 0.00 57.85 57.13 2gtj n ARG 71 Cb 1.00 -1.62 0.00 0.00 -1.05 0.00 0.00 32.46 30.79 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 1.42 -0.99 3.27 2.89 0.00 0.11 -5.11 105.19 106.78 2gtj n GLY 72 Ca 0.06 -0.61 -0.07 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 -0.39 -0.50 1.61 0.01 -1.25 -4.90 113.70 108.29 2gtj s SER 73 Ca 0.00 0.97 -0.01 0.00 1.31 0.00 0.00 55.95 58.22 2gtj s SER 73 Cb 0.00 1.52 0.13 0.00 0.21 0.00 0.00 66.02 67.88 2gtj s SER 73 CO 0.00 -0.24 0.29 -0.31 0.41 0.00 0.00 173.24 173.38 2gtj s TYR 74 N 2.66 3.48 -0.39 2.43 1.51 -1.26 -1.76 117.35 124.03 2gtj s TYR 74 Ca 0.01 -2.70 -0.05 0.00 -1.01 0.00 0.00 57.07 53.32 2gtj s TYR 74 Cb -0.13 -3.13 0.09 0.00 -0.11 0.00 0.00 41.96 38.69 2gtj s TYR 74 CO -0.15 -0.89 0.19 0.20 -1.11 0.00 0.00 175.55 173.79 2gtj s GLY 75 N 0.99 1.94 -0.83 0.71 0.00 -0.72 -4.86 107.32 104.55 2gtj s GLY 75 Ca 0.13 -2.27 -0.30 0.00 0.00 0.00 0.00 44.72 42.28 2gtj s GLY 75 CO -0.04 0.95 2.60 -1.72 0.00 0.00 0.00 173.10 174.89 2gtj n TYR 76 N 4.71 0.83 -2.84 1.90 4.01 -1.26 -3.10 117.16 121.41 2gtj n TYR 76 Ca -0.07 0.32 -0.38 0.00 -0.16 0.00 0.00 57.90 57.61 2gtj n TYR 76 Cb 0.42 -2.45 -0.06 0.00 -0.31 0.00 0.00 39.34 36.94 2gtj n TYR 76 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 2gtj s ILE 77 N 9.73 4.23 -0.25 -0.72 -4.36 0.74 -3.82 121.20 126.75 2gtj s ILE 77 Ca 1.25 1.84 -0.29 0.00 -0.26 0.00 0.00 60.65 63.19 2gtj s ILE 77 Cb -0.97 -4.13 0.01 0.00 1.25 0.00 0.00 42.46 38.62 2gtj s ILE 77 CO 0.43 0.35 1.08 -1.59 0.24 0.00 0.00 174.94 175.46 2gtj s LYS 78 N -1.56 4.20 0.31 0.37 -2.85 -1.26 0.16 119.74 119.10 2gtj s LYS 78 Ca 0.43 1.33 0.18 0.00 -1.00 0.00 0.00 55.97 56.91 2gtj s LYS 78 Cb -0.22 -3.69 1.10 0.00 -2.06 0.00 0.00 37.83 32.97 2gtj s LYS 78 CO 0.27 -0.72 1.27 0.25 0.10 0.00 0.00 175.35 176.52 2gtj n THR 79 N 5.48 -0.32 0.36 3.79 -2.24 -1.26 0.28 114.28 120.37 2gtj n THR 79 Ca 0.12 1.61 0.10 0.00 -2.27 0.00 0.00 64.05 63.61 2gtj n THR 79 Cb 0.46 -2.62 0.43 0.00 -2.10 0.00 0.00 70.33 66.50 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 -4.75 0.97 1.05 4.28 5.66 -1.26 -2.12 114.28 118.11 2gtj n THR 80 Ca 0.31 0.33 0.12 0.00 -3.05 0.00 0.00 64.05 61.76 2gtj n THR 80 Cb 1.07 -1.23 0.28 0.00 -1.55 0.00 0.00 70.33 68.90 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 -1.70 3.44 -2.29 1.79 0.00 0.14 -4.84 120.51 117.04 2gtj n ALA 81 Ca 0.02 -0.35 -0.16 0.00 0.00 0.00 0.00 53.44 52.95 2gtj n ALA 81 Cb 0.17 -1.13 -0.10 0.00 0.00 0.00 0.00 19.45 18.39 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 -2.91 0.69 -0.18 0.00 -7.23 -0.90 -0.25 120.40 109.62 2gtj s VAL 82 Ca 0.14 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.29 2gtj s VAL 82 Cb 0.18 -2.40 0.05 0.00 0.56 0.00 0.00 36.38 34.77 2gtj s VAL 82 CO 0.66 -0.23 0.01 -1.61 -0.31 0.00 0.00 175.10 173.63 2gtj s GLU 83 N -3.96 0.86 0.97 4.82 2.02 0.08 -4.72 118.70 118.77 2gtj s GLU 83 Ca 0.31 -0.45 -0.14 0.00 0.02 0.00 0.00 54.97 54.70 2gtj s GLU 83 Cb 0.07 -2.05 0.18 0.00 0.10 0.00 0.00 34.13 32.42 2gtj s GLU 83 CO 0.09 -0.58 1.18 0.96 0.02 0.00 0.00 175.26 176.93 2gtj s ILE 84 N 1.78 1.93 -0.74 -1.63 -4.36 -1.26 0.28 121.20 117.20 2gtj s ILE 84 Ca -0.01 0.00 -0.26 0.00 -0.26 0.00 0.00 60.65 60.12 2gtj s ILE 84 Cb -0.17 -2.77 0.02 0.00 1.25 0.00 0.00 42.46 40.79 2gtj s ILE 84 CO -0.07 0.00 1.45 -0.62 0.24 0.00 0.00 174.94 175.94 2gtj s ASP 85 N -4.22 5.95 0.28 4.36 2.15 0.48 -4.74 116.67 120.93 2gtj s ASP 85 Ca 0.67 -0.36 -0.14 0.00 0.43 0.00 0.00 52.55 53.15 2gtj s ASP 85 Cb -0.11 -2.55 -0.08 0.00 -0.30 0.00 0.00 42.92 39.87 2gtj s ASP 85 CO 0.54 -1.97 0.68 -0.31 -0.17 0.00 0.00 175.17 173.94 2gtj s TYR 86 N 6.59 3.42 -0.49 -5.34 2.02 -1.26 -4.79 117.35 117.50 2gtj s TYR 86 Ca 0.45 1.14 0.03 0.00 -0.37 0.00 0.00 57.07 58.32 2gtj s TYR 86 Cb -0.08 -2.47 0.14 0.00 -0.40 0.00 0.00 41.96 39.15 2gtj s TYR 86 CO 0.14 0.17 0.29 0.34 -1.57 0.00 0.00 175.55 174.92 2gtj s ASP 87 N -2.21 3.80 -0.01 2.29 -1.08 -1.26 -4.92 116.67 113.27 2gtj s ASP 87 Ca 0.51 -2.93 0.09 0.00 -0.52 0.00 0.00 52.55 49.70 2gtj s ASP 87 Cb -0.11 -1.21 -0.14 0.00 -1.46 0.00 0.00 42.92 39.99 2gtj s ASP 87 CO 0.19 -0.22 0.20 -1.20 0.52 0.00 0.00 175.17 174.65 2gtj n SER 88 N 3.16 2.88 -3.46 -0.34 7.64 -1.26 -4.90 113.62 117.33 2gtj n SER 88 Ca 0.11 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.81 2gtj n SER 88 Cb 0.35 1.41 -0.12 0.00 -1.01 0.00 0.00 64.21 64.84 2gtj n SER 88 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2gtj s LEU 89 N -3.67 -0.15 0.15 -3.43 2.96 -1.26 -5.02 118.68 108.26 2gtj s LEU 89 Ca -0.03 -0.36 -0.08 0.00 -0.22 0.00 0.00 54.13 53.44 2gtj s LEU 89 Cb 0.06 0.44 0.00 0.00 0.50 0.00 0.00 46.19 47.19 2gtj s LEU 89 CO 0.39 -0.34 1.45 0.50 -1.32 0.00 0.00 176.35 177.02 2gtj h LYS 90 N 8.29 0.73 -4.19 1.98 1.63 -2.00 -3.38 116.57 119.64 2gtj h LYS 90 Ca -0.17 -0.47 -0.70 0.00 -0.85 0.00 0.00 60.65 58.46 2gtj h LYS 90 Cb 1.13 0.06 -0.34 0.00 -0.60 0.00 0.00 32.23 32.48 2gtj h LYS 90 CO 0.30 1.09 -0.45 -0.51 -3.45 0.00 0.00 179.45 176.43 2gtj s LEU 91 N -8.53 5.37 -0.10 5.20 1.02 -1.26 -5.07 118.68 115.31 2gtj s LEU 91 Ca -0.09 -2.25 -0.24 0.00 0.02 0.00 0.00 54.13 51.56 2gtj s LEU 91 Cb 0.11 -1.88 -0.03 0.00 0.02 0.00 0.00 46.19 44.41 2gtj s LEU 91 CO 0.87 -0.52 0.76 -0.54 0.02 0.00 0.00 176.35 176.94 2gtj s LYS 92 N 0.83 4.39 -0.56 1.70 1.02 -1.26 -5.00 119.74 120.85 2gtj s LYS 92 Ca 0.10 0.96 -0.19 0.00 0.02 0.00 0.00 55.97 56.86 2gtj s LYS 92 Cb -0.22 -3.50 0.08 0.00 -0.52 0.00 0.00 37.83 33.67 2gtj s LYS 92 CO -0.03 -0.09 0.69 0.15 -0.92 0.00 0.00 175.35 175.15 2gtj s LYS 93 N 1.32 3.08 0.00 1.68 1.02 -1.26 -4.65 119.74 120.92 2gtj s LYS 93 Ca 0.39 -1.12 0.00 0.00 0.02 0.00 0.00 55.97 55.26 2gtj s LYS 93 Cb -0.18 -4.20 0.00 0.00 -0.52 0.00 0.00 37.83 32.94 2gtj s LYS 93 CO 0.17 -1.44 0.37 -0.40 -0.92 0.00 0.00 175.35 173.13 2gtj n ASP 94 N 6.37 0.01 -4.61 2.83 5.75 -1.26 -5.05 116.55 120.57 2gtj n ASP 94 Ca -0.08 -1.00 -0.34 0.00 -0.01 0.00 0.00 54.79 53.35 2gtj n ASP 94 Cb 0.44 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.43 2gtj n ASP 94 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 2gtj s LEU 95 N -0.00 3.72 0.00 -2.12 2.96 -1.26 -5.36 118.68 116.61 2gtj s LEU 95 Ca 0.00 0.05 0.31 0.00 -0.22 0.00 0.00 54.13 54.27 2gtj s LEU 95 Cb 0.00 -1.93 1.72 0.00 0.50 0.00 0.00 46.19 46.48 2gtj s LEU 95 CO 0.00 0.18 2.12 -0.62 -1.32 0.00 0.00 176.35 176.71