#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 4.48 -0.83 3.49 1.02 -1.26 -4.96 119.74 121.68 2gtj s LYS 2 Ca 0.00 1.65 -0.04 0.00 0.02 0.00 0.00 55.97 57.60 2gtj s LYS 2 Cb 0.00 -3.38 0.21 0.00 -0.52 0.00 0.00 37.83 34.14 2gtj s LYS 2 CO 0.00 -0.18 0.71 0.21 -0.92 0.00 0.00 175.35 175.17 2gtj s LYS 3 N 1.00 3.18 0.10 1.68 2.20 -1.26 -5.05 119.74 121.59 2gtj s LYS 3 Ca 0.56 -2.99 0.10 0.00 -0.36 0.00 0.00 55.97 53.28 2gtj s LYS 3 Cb -0.27 -3.98 -0.04 0.00 -1.51 0.00 0.00 37.83 32.03 2gtj s LYS 3 CO 0.29 -1.24 -0.25 -2.00 -0.36 0.00 0.00 175.35 171.79 2gtj s GLU 4 N -0.84 1.60 -0.21 4.03 2.12 -1.26 -5.11 118.70 119.03 2gtj s GLU 4 Ca 0.24 -1.24 -0.08 0.00 0.36 0.00 0.00 54.97 54.24 2gtj s GLU 4 Cb -0.11 -1.97 -0.04 0.00 0.26 0.00 0.00 34.13 32.27 2gtj s GLU 4 CO -0.09 0.48 0.09 -0.65 -0.54 0.00 0.00 175.26 174.54 2gtj s GLN 5 N -1.82 3.93 0.16 4.30 -0.21 -1.26 -4.98 119.66 119.78 2gtj s GLN 5 Ca 0.14 -0.35 -0.07 0.00 0.02 0.00 0.00 55.36 55.09 2gtj s GLN 5 Cb -0.10 -3.32 0.01 0.00 1.00 0.00 0.00 33.01 30.60 2gtj s GLN 5 CO 0.05 0.12 1.45 0.87 -2.12 0.00 0.00 175.29 175.67 2gtj h LYS 6 N 7.22 0.72 -7.30 2.91 1.57 -2.00 -3.44 116.57 116.25 2gtj h LYS 6 Ca -0.37 -0.46 -0.50 0.00 -1.87 0.00 0.00 60.65 57.45 2gtj h LYS 6 Cb 1.17 0.06 0.06 0.00 0.08 0.00 0.00 32.23 33.60 2gtj h LYS 6 CO 0.66 1.08 0.39 -1.21 -0.57 0.00 0.00 179.45 179.81 2gtj s GLU 7 N -4.04 3.49 -0.04 3.15 2.02 -1.26 -4.96 118.70 117.05 2gtj s GLU 7 Ca -0.09 0.90 0.15 0.00 0.02 0.00 0.00 54.97 55.95 2gtj s GLU 7 Cb 0.11 -2.07 0.46 0.00 0.10 0.00 0.00 34.13 32.73 2gtj s GLU 7 CO 0.87 -0.66 1.38 1.63 0.02 0.00 0.00 175.26 178.51 2gtj n LYS 8 N -2.49 2.99 -2.03 1.61 5.02 -1.26 -4.96 118.16 117.04 2gtj n LYS 8 Ca 0.07 -2.40 -0.42 0.00 -2.02 0.00 0.00 58.31 53.54 2gtj n LYS 8 Cb 0.54 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.02 2gtj n LYS 8 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2gtj s GLU 9 N -1.40 4.25 -0.73 1.97 0.41 -1.26 -4.96 118.70 116.98 2gtj s GLU 9 Ca 0.34 2.23 -0.11 0.00 -0.41 0.00 0.00 54.97 57.03 2gtj s GLU 9 Cb 0.21 -3.34 0.19 0.00 -1.78 0.00 0.00 34.13 29.41 2gtj s GLU 9 CO 0.19 -0.59 0.64 0.15 -0.49 0.00 0.00 175.26 175.16 2gtj s LYS 10 N 1.64 3.23 0.36 1.61 1.02 -1.26 -5.03 119.74 121.32 2gtj s LYS 10 Ca 0.69 -2.37 0.08 0.00 0.02 0.00 0.00 55.97 54.39 2gtj s LYS 10 Cb -0.40 -4.22 -0.04 0.00 -0.52 0.00 0.00 37.83 32.65 2gtj s LYS 10 CO 0.31 -1.26 0.15 0.15 -0.92 0.00 0.00 175.35 173.78 2gtj s LYS 11 N 0.30 2.31 -0.44 1.68 1.02 -1.26 -4.86 119.74 118.49 2gtj s LYS 11 Ca 0.16 -1.64 -0.29 0.00 0.02 0.00 0.00 55.97 54.21 2gtj s LYS 11 Cb -0.15 -2.11 0.03 0.00 -0.52 0.00 0.00 37.83 35.07 2gtj s LYS 11 CO -0.06 0.04 1.12 -2.00 -0.92 0.00 0.00 175.35 173.53 2gtj s GLU 12 N -3.87 3.80 -0.20 1.68 2.56 -0.42 -4.88 118.70 117.37 2gtj s GLU 12 Ca 0.39 0.68 -0.19 0.00 0.00 0.00 0.00 54.97 55.85 2gtj s GLU 12 Cb -0.01 -3.87 -0.16 0.00 2.00 0.00 0.00 34.13 32.10 2gtj s GLU 12 CO 0.23 -1.27 0.11 0.94 -0.56 0.00 0.00 175.26 174.71 2gtj n GLN 13 N 7.61 0.55 0.00 4.30 0.00 -1.26 -4.47 117.38 124.11 2gtj n GLN 13 Ca 0.12 0.55 0.00 0.00 -0.00 0.00 0.00 57.00 57.67 2gtj n GLN 13 Cb 0.49 -1.72 0.00 0.00 0.00 0.00 0.00 30.24 29.00 2gtj n GLN 13 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 2gtj n GLU 14 N -4.45 0.77 0.06 3.69 1.02 -1.26 -3.48 120.64 116.99 2gtj n GLU 14 Ca -0.30 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 56.83 2gtj n GLU 14 Cb 0.63 -1.28 -0.07 0.00 -0.02 0.00 0.00 31.44 30.69 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 0.09 0.85 -0.62 -3.67 -0.00 -1.92 -3.25 117.51 108.98 2gtj h ILE 15 Ca 0.00 -2.40 0.08 0.00 -0.00 0.00 0.00 64.86 62.54 2gtj h ILE 15 Cb 0.53 2.33 -0.07 0.00 -0.00 0.00 0.00 36.82 39.61 2gtj h ILE 15 CO 0.00 0.48 0.28 0.11 -0.00 0.00 0.00 178.15 179.02 2gtj h LYS 16 N 0.00 0.48 -0.00 0.16 6.56 -1.91 -1.52 116.57 120.34 2gtj h LYS 16 Ca -0.12 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.45 2gtj h LYS 16 Cb 1.63 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 33.18 2gtj h LYS 16 CO 0.07 0.32 -0.81 1.17 -2.06 0.00 0.00 179.45 178.14 2gtj n LYS 17 N -4.93 0.14 0.00 3.15 4.81 -1.26 -2.22 118.16 117.86 2gtj n LYS 17 Ca 0.09 -0.11 -0.01 0.00 -0.87 0.00 0.00 58.31 57.41 2gtj n LYS 17 Cb 0.24 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 33.79 2gtj n LYS 17 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2gtj h LYS 18 N 0.26 -0.07 0.00 1.64 1.63 -1.31 -3.32 116.57 115.40 2gtj h LYS 18 Ca 0.00 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.71 2gtj h LYS 18 Cb 0.52 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.16 2gtj h LYS 18 CO 0.00 -0.05 -0.54 0.35 -3.45 0.00 0.00 179.45 175.76 2gtj h PHE 19 N -0.64 0.00 -4.43 1.91 3.04 -1.73 -3.49 116.94 111.60 2gtj h PHE 19 Ca -0.01 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.94 2gtj h PHE 19 Cb 0.06 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.57 2gtj h PHE 19 CO 0.01 0.45 -0.58 1.17 -2.02 0.00 0.00 178.31 177.33 2gtj n LYS 20 N -3.17 -2.16 -0.04 1.11 4.81 -1.16 -4.85 118.16 112.70 2gtj n LYS 20 Ca 0.01 1.92 -0.04 0.00 -0.87 0.00 0.00 58.31 59.34 2gtj n LYS 20 Cb 0.72 -3.98 -0.01 0.00 0.02 0.00 0.00 35.03 31.78 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 0.28 0.86 -3.16 3.14 7.99 -0.94 -5.01 117.00 120.16 2gtj n LEU 21 Ca 0.02 0.19 -0.22 0.00 -0.01 0.00 0.00 56.01 55.99 2gtj n LEU 21 Cb 0.07 -0.62 0.02 0.00 -0.11 0.00 0.00 43.42 42.78 2gtj n LEU 21 CO 0.30 -0.41 -0.14 0.35 -1.51 0.00 0.00 177.39 175.97 2gtj n THR 22 N -3.36 -7.54 -3.56 -5.08 -2.24 -1.26 -4.97 114.28 86.27 2gtj n THR 22 Ca -0.06 0.55 0.00 0.00 -2.27 0.00 0.00 64.05 62.28 2gtj n THR 22 Cb 0.21 -5.42 0.00 0.00 -2.10 0.00 0.00 70.33 63.02 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 -0.14 -0.77 3.51 3.38 0.00 -1.26 -5.06 105.19 104.85 2gtj n GLY 23 Ca 0.02 -1.26 -0.42 0.00 0.00 0.00 0.00 46.02 44.36 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 -2.00 3.20 0.21 1.61 0.05 -1.26 -5.01 135.00 131.79 2gtj s PRO 24 Ca 0.00 -0.44 0.09 0.00 0.05 0.00 0.00 61.00 60.69 2gtj s PRO 24 Cb 0.00 -4.17 -0.04 0.00 0.05 0.00 0.00 34.50 30.34 2gtj s PRO 24 CO 0.00 -1.91 -0.05 -1.50 0.05 0.00 0.00 177.00 173.59 2gtj s ILE 25 N 4.81 3.37 0.35 0.56 2.07 -1.26 -5.13 121.20 125.96 2gtj s ILE 25 Ca 0.30 -1.70 -0.06 0.00 -1.41 0.00 0.00 60.65 57.78 2gtj s ILE 25 Cb -0.12 -2.71 0.01 0.00 0.13 0.00 0.00 42.46 39.77 2gtj s ILE 25 CO 0.14 -0.19 0.55 0.00 -1.91 0.00 0.00 174.94 173.53 2gtj s GLN 26 N -3.11 1.96 0.13 3.50 -2.07 -1.26 -5.13 119.66 113.69 2gtj s GLN 26 Ca 0.27 -1.66 -0.30 0.00 -1.82 0.00 0.00 55.36 51.86 2gtj s GLN 26 Cb -0.08 0.49 -0.07 0.00 -1.09 0.00 0.00 33.01 32.26 2gtj s GLN 26 CO 0.17 -0.84 1.10 0.08 -1.32 0.00 0.00 175.29 174.48 2gtj s VAL 27 N -2.95 4.02 -0.19 3.63 1.01 -1.26 -4.40 120.40 120.26 2gtj s VAL 27 Ca 0.27 1.64 0.08 0.00 0.00 0.00 0.00 61.98 63.97 2gtj s VAL 27 Cb -0.01 -4.05 -0.22 0.00 0.00 0.00 0.00 36.38 32.09 2gtj s VAL 27 CO 0.18 0.24 0.08 -0.38 0.00 0.00 0.00 175.10 175.22 2gtj n ILE 28 N 2.85 1.52 -3.73 2.22 2.08 0.11 -4.98 119.36 119.42 2gtj n ILE 28 Ca 0.04 -0.71 -0.02 0.00 0.56 0.00 0.00 62.75 62.61 2gtj n ILE 28 Cb 0.47 -1.08 -0.01 0.00 -0.75 0.00 0.00 39.64 38.26 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 -2.53 -0.11 -0.23 1.39 3.76 -1.18 -5.01 115.29 111.38 2gtj s HIS 29 Ca -0.20 -0.16 -0.05 0.00 -0.15 0.00 0.00 55.06 54.50 2gtj s HIS 29 Cb 0.07 0.62 -0.01 0.00 1.11 0.00 0.00 32.58 34.38 2gtj s HIS 29 CO 0.73 -0.72 -0.01 -0.51 -0.85 0.00 0.00 174.74 173.38 2gtj s LEU 30 N -2.95 3.09 0.34 0.89 1.02 -1.26 -0.06 118.68 119.74 2gtj s LEU 30 Ca 0.13 -0.39 -0.02 0.00 0.02 0.00 0.00 54.13 53.87 2gtj s LEU 30 Cb -0.00 -1.79 -0.04 0.00 0.02 0.00 0.00 46.19 44.38 2gtj s LEU 30 CO 0.01 -0.04 0.57 0.00 0.02 0.00 0.00 176.35 176.91 2gtj s ALA 31 N 1.51 3.65 -0.18 4.21 0.00 0.20 -1.15 121.76 129.99 2gtj s ALA 31 Ca 0.06 -0.76 -0.05 0.00 0.00 0.00 0.00 51.96 51.20 2gtj s ALA 31 Cb -0.15 -2.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.73 2gtj s ALA 31 CO -0.01 0.04 0.01 0.21 0.00 0.00 0.00 175.76 176.01 2gtj s LYS 32 N -4.09 3.75 -0.41 0.00 2.20 0.65 0.75 119.74 122.60 2gtj s LYS 32 Ca 0.42 -0.46 -0.28 0.00 -0.36 0.00 0.00 55.97 55.29 2gtj s LYS 32 Cb -0.10 -3.08 -0.02 0.00 -1.51 0.00 0.00 37.83 33.11 2gtj s LYS 32 CO 0.35 0.16 1.87 0.00 -0.36 0.00 0.00 175.35 177.37 2gtj s ALA 33 N 0.62 2.61 -1.58 3.13 0.00 -1.26 -1.79 121.76 123.49 2gtj s ALA 33 Ca 0.00 0.04 0.29 0.00 0.00 0.00 0.00 51.96 52.29 2gtj s ALA 33 Cb -0.14 -4.11 1.28 0.00 0.00 0.00 0.00 23.12 20.16 2gtj s ALA 33 CO 0.02 -3.07 1.90 0.00 0.00 0.00 0.00 175.76 174.61 2gtj s ASP 36 N -0.14 6.53 0.31 0.00 2.15 -1.26 -3.78 116.67 120.49 2gtj s ASP 36 Ca -0.04 0.26 0.09 0.00 0.43 0.00 0.00 52.55 53.30 2gtj s ASP 36 Cb -0.03 -2.55 -0.05 0.00 -0.30 0.00 0.00 42.92 39.99 2gtj s ASP 36 CO 0.04 -1.37 0.01 0.54 -0.17 0.00 0.00 175.17 174.22 2gtj s VAL 37 N 4.70 2.93 -0.18 1.11 0.11 0.12 -4.87 120.40 124.31 2gtj s VAL 37 Ca 0.45 -1.94 0.15 0.00 -2.93 0.00 0.00 61.98 57.71 2gtj s VAL 37 Cb -0.07 -2.80 0.40 0.00 -1.53 0.00 0.00 36.38 32.38 2gtj s VAL 37 CO 0.28 -0.26 1.28 2.29 -3.33 0.00 0.00 175.10 175.35 2gtj n LYS 38 N -0.95 1.81 -0.88 1.54 2.85 -1.26 -2.43 118.16 118.85 2gtj n LYS 38 Ca -0.05 -2.87 0.00 0.00 -1.05 0.00 0.00 58.31 54.34 2gtj n LYS 38 Cb 0.61 -1.65 0.00 0.00 -0.65 0.00 0.00 35.03 33.34 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 -1.11 0.90 3.65 2.58 0.00 -1.07 -4.70 105.19 105.43 2gtj n GLY 39 Ca 0.20 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.58 1.75 -1.04 -0.02 0.00 -1.26 -3.78 107.32 100.40 2gtj s GLY 40 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 44.72 44.63 2gtj s GLY 40 CO 0.00 1.89 0.88 0.28 0.00 0.00 0.00 173.10 176.16 2gtj n LYS 41 N 6.06 -5.90 -2.55 2.90 4.01 -1.26 -4.07 118.16 117.35 2gtj n LYS 41 Ca 0.07 0.69 -0.03 0.00 -0.51 0.00 0.00 58.31 58.53 2gtj n LYS 41 Cb 0.47 -5.26 0.00 0.00 -0.51 0.00 0.00 35.03 29.73 2gtj n LYS 41 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2gtj n ASN 42 N -2.51 -6.98 -1.84 4.39 5.15 -1.25 -5.08 115.26 107.14 2gtj n ASN 42 Ca -0.13 0.89 -0.07 0.00 -0.60 0.00 0.00 54.58 54.67 2gtj n ASN 42 Cb 0.60 -4.62 -0.02 0.00 -0.53 0.00 0.00 39.78 35.21 2gtj n ASN 42 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2gtj n GLU 43 N 0.21 0.25 -3.59 1.20 2.13 -1.26 -4.61 120.64 114.97 2gtj n GLU 43 Ca 0.04 -1.21 -0.27 0.00 0.66 0.00 0.00 57.16 56.38 2gtj n GLU 43 Cb 0.15 1.10 -0.03 0.00 0.27 0.00 0.00 31.44 32.94 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 4.17 -0.32 4.31 0.20 -1.25 -4.50 118.68 121.29 2gtj s LEU 44 Ca 0.13 0.45 -0.11 0.00 0.69 0.00 0.00 54.13 55.29 2gtj s LEU 44 Cb 0.00 -3.25 -0.02 0.00 -0.43 0.00 0.00 46.19 42.50 2gtj s LEU 44 CO 0.09 -0.11 0.20 -0.44 -0.29 0.00 0.00 176.35 175.80 2gtj s SER 45 N -3.34 5.87 0.10 3.68 0.01 -1.26 -2.61 113.70 116.14 2gtj s SER 45 Ca 0.39 -0.41 -0.12 0.00 1.31 0.00 0.00 55.95 57.13 2gtj s SER 45 Cb -0.11 -2.09 0.01 0.00 0.21 0.00 0.00 66.02 64.05 2gtj s SER 45 CO 0.30 -0.20 0.28 0.72 0.41 0.00 0.00 173.24 174.75 2gtj s PHE 46 N 1.69 -0.01 0.21 2.43 -0.12 -1.02 -4.97 117.98 116.19 2gtj s PHE 46 Ca 0.06 -0.35 0.09 0.00 -0.05 0.00 0.00 56.93 56.68 2gtj s PHE 46 Cb -0.17 0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.25 2gtj s PHE 46 CO 0.09 -0.59 -0.04 0.15 -0.05 0.00 0.00 175.22 174.78 2gtj s LYS 47 N -3.67 2.24 0.15 1.99 1.02 -1.26 -0.70 119.74 119.50 2gtj s LYS 47 Ca 0.03 -1.28 -0.32 0.00 0.02 0.00 0.00 55.97 54.42 2gtj s LYS 47 Cb 0.03 -2.21 -0.12 0.00 -0.52 0.00 0.00 37.83 35.01 2gtj s LYS 47 CO -0.10 0.42 1.77 0.94 -0.92 0.00 0.00 175.35 177.45 2gtj n GLN 48 N -0.33 2.69 -1.01 1.68 7.27 -1.25 -1.63 117.38 124.81 2gtj n GLN 48 Ca -0.09 0.98 0.00 0.00 0.07 0.00 0.00 57.00 57.96 2gtj n GLN 48 Cb 0.57 -2.84 0.00 0.00 2.41 0.00 0.00 30.24 30.38 2gtj n GLN 48 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2gtj n GLY 49 N 4.05 0.45 0.11 1.69 0.00 0.11 -4.90 105.19 106.69 2gtj n GLY 49 Ca 0.17 -0.97 0.04 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 0.00 -1.98 1.61 4.39 -1.50 -3.48 114.58 113.62 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 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2gtj h GLU 50 CO 0.00 0.23 -0.46 0.94 -1.16 0.00 0.00 179.01 178.56 2gtj n GLN 51 N -2.88 -2.52 -4.36 2.33 7.27 -1.26 -4.94 117.38 111.03 2gtj n GLN 51 Ca -0.05 1.82 -0.19 0.00 0.07 0.00 0.00 57.00 58.65 2gtj n GLN 51 Cb 0.74 -2.00 -0.10 0.00 2.41 0.00 0.00 30.24 31.29 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 -1.47 1.55 -0.09 1.69 1.01 0.23 -4.83 121.20 119.29 2gtj s ILE 52 Ca 0.00 -2.15 0.01 0.00 0.00 0.00 0.00 60.65 58.51 2gtj s ILE 52 Cb 0.00 -2.18 -0.02 0.00 0.01 0.00 0.00 42.46 40.27 2gtj s ILE 52 CO 0.00 -0.49 -0.10 -1.61 0.00 0.00 0.00 174.94 172.73 2gtj s GLU 53 N -3.71 2.96 -0.23 2.79 2.02 -0.32 0.59 118.70 122.81 2gtj s GLU 53 Ca 0.25 -0.62 -0.16 0.00 0.02 0.00 0.00 54.97 54.45 2gtj s GLU 53 Cb 0.02 -2.58 -0.04 0.00 0.10 0.00 0.00 34.13 31.63 2gtj s GLU 53 CO 0.08 0.48 0.41 -1.50 0.02 0.00 0.00 175.26 174.75 2gtj s ILE 54 N -0.33 5.17 -0.10 -1.63 1.10 0.91 -0.94 121.20 125.38 2gtj s ILE 54 Ca 0.04 0.70 0.03 0.00 -0.51 0.00 0.00 60.65 60.92 2gtj s ILE 54 Cb -0.13 -3.74 -0.08 0.00 0.15 0.00 0.00 42.46 38.66 2gtj s ILE 54 CO 0.02 0.21 -0.05 2.30 -2.11 0.00 0.00 174.94 175.31 2gtj n ILE 55 N 4.63 0.60 -4.10 2.00 -0.00 -0.80 0.03 119.36 121.73 2gtj n ILE 55 Ca -0.08 -0.28 -0.19 0.00 -0.00 0.00 0.00 62.75 62.20 2gtj n ILE 55 Cb 0.51 -0.84 -0.16 0.00 -0.00 0.00 0.00 39.64 39.14 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 -2.21 0.65 0.00 6.28 6.06 -1.20 -4.58 118.95 123.95 2gtj s ARG 56 Ca -0.11 -0.05 0.00 0.00 -2.50 0.00 0.00 55.73 53.07 2gtj s ARG 56 Cb 0.03 -0.71 0.00 0.00 0.06 0.00 0.00 34.95 34.33 2gtj s ARG 56 CO 0.29 -0.09 0.37 0.44 -2.50 0.00 0.00 175.30 173.81 2gtj n ILE 57 N 4.03 0.13 -4.36 4.11 -0.00 -1.26 -1.15 119.36 120.86 2gtj n ILE 57 Ca -0.26 -0.30 -0.27 0.00 -0.00 0.00 0.00 62.75 61.93 2gtj n ILE 57 Cb 0.51 1.32 -0.11 0.00 -0.00 0.00 0.00 39.64 41.36 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 -0.13 2.73 -1.53 7.28 -4.23 -1.26 -4.66 115.64 113.84 2gtj s THR 58 Ca 0.00 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 2gtj s THR 58 Cb 0.00 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.51 2gtj s THR 58 CO 0.00 -0.11 0.00 -0.67 -0.54 0.00 0.00 174.62 173.30 2gtj n ASP 59 N 0.19 -4.99 -4.61 3.99 2.03 -1.26 -4.94 116.55 106.96 2gtj n ASP 59 Ca -0.12 0.36 -0.43 0.00 0.52 0.00 0.00 54.79 55.12 2gtj n ASP 59 Cb 0.56 -3.76 -0.02 0.00 -0.72 0.00 0.00 41.12 37.18 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 -2.74 6.56 0.01 1.67 4.22 -1.26 -4.94 114.94 118.46 2gtj s ASN 60 Ca 0.00 0.77 -0.25 0.00 -2.14 0.00 0.00 52.86 51.23 2gtj s ASN 60 Cb 0.00 -2.54 -0.15 0.00 1.28 0.00 0.00 41.25 39.84 2gtj s ASN 60 CO 0.00 -1.26 1.11 -0.65 -2.04 0.00 0.00 177.10 174.27 2gtj h PRO 61 N 9.66 -0.75 -0.03 3.55 0.11 -1.88 -3.20 132.00 139.45 2gtj h PRO 61 Ca -0.25 0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.84 2gtj h PRO 61 Cb 1.08 0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 2gtj h PRO 61 CO 1.09 -0.45 -0.31 1.49 -0.21 0.00 0.00 178.00 179.61 2gtj h GLU 62 N -1.10 0.06 0.00 1.05 4.81 -1.99 -3.46 114.58 113.95 2gtj h GLU 62 Ca -0.08 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2gtj h GLU 62 Cb 0.65 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.02 2gtj h GLU 62 CO 0.13 0.37 0.00 0.41 -0.73 0.00 0.00 179.01 179.19 2gtj n GLY 63 N -0.58 1.20 3.93 1.92 0.00 -1.21 -5.10 105.19 105.36 2gtj n GLY 63 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.80 2gtj n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gtj s LYS 64 N -0.52 3.16 0.61 1.61 -2.85 -1.26 -4.72 119.74 115.77 2gtj s LYS 64 Ca 0.00 -0.96 0.04 0.00 -1.00 0.00 0.00 55.97 54.06 2gtj s LYS 64 Cb 0.00 -2.76 0.09 0.00 -2.06 0.00 0.00 37.83 33.10 2gtj s LYS 64 CO 0.00 0.28 0.85 -1.58 0.10 0.00 0.00 175.35 174.99 2gtj s TRP 65 N -2.11 1.83 -0.24 1.78 0.51 0.16 -4.81 118.94 116.07 2gtj s TRP 65 Ca 0.38 -0.41 0.02 0.00 -2.12 0.00 0.00 56.10 53.96 2gtj s TRP 65 Cb -0.09 -2.62 0.04 0.00 -0.81 0.00 0.00 33.47 30.00 2gtj s TRP 65 CO 0.29 -1.26 -0.13 -1.17 -0.51 0.00 0.00 176.95 174.17 2gtj s LEU 66 N -4.84 3.03 0.23 2.99 2.96 -0.30 -0.57 118.68 122.18 2gtj s LEU 66 Ca 0.62 -1.10 0.10 0.00 -0.22 0.00 0.00 54.13 53.54 2gtj s LEU 66 Cb -0.07 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 45.03 2gtj s LEU 66 CO 0.40 -0.13 -0.14 -0.83 -1.32 0.00 0.00 176.35 174.34 2gtj s GLY 67 N 1.19 1.76 0.06 7.98 0.00 -1.06 -1.91 107.32 115.34 2gtj s GLY 67 Ca -0.03 -1.67 0.02 0.00 0.00 0.00 0.00 44.72 43.04 2gtj s GLY 67 CO -0.07 -1.72 -0.08 -1.60 0.00 0.00 0.00 173.10 169.63 2gtj s ARG 68 N -3.19 0.65 0.15 2.90 3.52 -0.12 -0.63 118.95 122.24 2gtj s ARG 68 Ca 0.27 -0.96 0.05 0.00 -0.13 0.00 0.00 55.73 54.96 2gtj s ARG 68 Cb -0.07 -0.30 -0.04 0.00 -1.56 0.00 0.00 34.95 32.98 2gtj s ARG 68 CO 0.15 0.04 0.13 0.99 -0.81 0.00 0.00 175.30 175.80 2gtj s THR 69 N -2.11 4.50 0.45 4.11 2.01 -0.66 -1.18 115.64 122.76 2gtj s THR 69 Ca -0.02 -1.04 0.24 0.00 0.31 0.00 0.00 61.69 61.18 2gtj s THR 69 Cb -0.05 -3.28 0.44 0.00 0.01 0.00 0.00 72.50 69.62 2gtj s THR 69 CO -0.01 -0.08 1.80 0.00 -0.69 0.00 0.00 174.62 175.64 2gtj h ALA 70 N 2.51 2.52 -0.79 7.40 0.00 -1.91 0.34 119.26 129.33 2gtj h ALA 70 Ca -0.48 0.02 0.11 0.00 0.00 0.00 0.00 54.91 54.57 2gtj h ALA 70 Cb 1.20 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 2gtj h ALA 70 CO 0.63 -0.89 0.42 -0.09 0.00 0.00 0.00 179.25 179.33 2gtj h ARG 71 N 0.25 0.65 0.00 0.00 2.43 -1.97 -3.47 114.38 112.27 2gtj h ARG 71 Ca 0.56 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.69 2gtj h ARG 71 Cb 1.69 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 31.10 2gtj h ARG 71 CO -0.18 0.43 0.00 0.41 -1.51 0.00 0.00 179.97 179.12 2gtj n GLY 72 N -1.32 0.52 3.25 2.80 0.00 0.12 -4.80 105.19 105.76 2gtj n GLY 72 Ca 0.14 -0.66 -0.09 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 -0.29 -0.56 1.61 0.01 -1.24 -1.30 113.70 111.92 2gtj s SER 73 Ca 0.00 0.93 -0.02 0.00 1.31 0.00 0.00 55.95 58.17 2gtj s SER 73 Cb 0.00 1.11 0.14 0.00 0.21 0.00 0.00 66.02 67.48 2gtj s SER 73 CO 0.00 -0.22 0.36 -0.31 0.41 0.00 0.00 173.24 173.48 2gtj s TYR 74 N 2.20 3.43 -0.48 2.43 1.51 -1.25 -1.65 117.35 123.53 2gtj s TYR 74 Ca -0.04 -2.73 -0.14 0.00 -1.01 0.00 0.00 57.07 53.15 2gtj s TYR 74 Cb -0.11 -3.15 0.09 0.00 -0.11 0.00 0.00 41.96 38.69 2gtj s TYR 74 CO -0.12 -0.86 0.39 0.20 -1.11 0.00 0.00 175.55 174.05 2gtj s GLY 75 N 0.79 2.04 -0.82 0.71 0.00 0.20 -4.84 107.32 105.40 2gtj s GLY 75 Ca 0.15 -2.28 -0.26 0.00 0.00 0.00 0.00 44.72 42.32 2gtj s GLY 75 CO -0.03 1.08 2.53 -1.72 0.00 0.00 0.00 173.10 174.96 2gtj n TYR 76 N 5.13 0.82 -3.06 1.90 4.02 -1.26 -2.57 117.16 122.13 2gtj n TYR 76 Ca -0.12 0.22 -0.37 0.00 -0.01 0.00 0.00 57.90 57.63 2gtj n TYR 76 Cb 0.42 -2.26 -0.06 0.00 -0.02 0.00 0.00 39.34 37.42 2gtj n TYR 76 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 2gtj s ILE 77 N 9.44 4.51 -0.24 -0.72 -4.36 0.26 -4.10 121.20 126.00 2gtj s ILE 77 Ca 1.20 1.40 -0.29 0.00 -0.26 0.00 0.00 60.65 62.70 2gtj s ILE 77 Cb -0.78 -3.92 0.00 0.00 1.25 0.00 0.00 42.46 39.01 2gtj s ILE 77 CO 0.40 0.28 1.17 -1.59 0.24 0.00 0.00 174.94 175.43 2gtj s LYS 78 N -1.79 4.15 0.30 0.37 -2.85 -1.26 0.40 119.74 119.06 2gtj s LYS 78 Ca 0.41 1.38 0.19 0.00 -1.00 0.00 0.00 55.97 56.96 2gtj s LYS 78 Cb -0.18 -3.75 1.08 0.00 -2.06 0.00 0.00 37.83 32.92 2gtj s LYS 78 CO 0.22 -0.80 1.20 0.25 0.10 0.00 0.00 175.35 176.32 2gtj n THR 79 N 5.62 -0.27 0.32 3.79 -2.24 -1.26 -0.04 114.28 120.19 2gtj n THR 79 Ca 0.13 1.49 0.13 0.00 -2.27 0.00 0.00 64.05 63.53 2gtj n THR 79 Cb 0.46 -2.43 0.57 0.00 -2.10 0.00 0.00 70.33 66.83 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 -2.49 112.91 113.76 2gtj h THR 80 Ca 0.66 -0.19 0.00 0.00 -0.01 0.00 0.00 66.41 66.87 2gtj h THR 80 Cb 1.90 0.90 0.00 0.00 -1.07 0.00 0.00 68.15 69.88 2gtj h THR 80 CO -0.50 0.00 -0.35 0.00 -0.01 0.00 0.00 175.52 174.66 2gtj n ALA 81 N -1.82 2.71 -2.28 0.00 0.00 0.94 -4.90 120.51 115.16 2gtj n ALA 81 Ca 0.01 -0.17 -0.16 0.00 0.00 0.00 0.00 53.44 53.12 2gtj n ALA 81 Cb 0.18 -1.29 -0.10 0.00 0.00 0.00 0.00 19.45 18.24 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 -3.11 0.26 -0.04 0.00 -7.23 -0.94 -1.29 120.40 108.05 2gtj s VAL 82 Ca 0.09 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.25 2gtj s VAL 82 Cb 0.14 -2.54 0.03 0.00 0.56 0.00 0.00 36.38 34.57 2gtj s VAL 82 CO 0.66 0.00 0.04 -1.61 -0.31 0.00 0.00 175.10 173.88 2gtj s GLU 83 N -3.96 0.12 0.88 4.82 2.02 -0.74 -4.86 118.70 116.98 2gtj s GLU 83 Ca 0.38 0.26 -0.13 0.00 0.02 0.00 0.00 54.97 55.49 2gtj s GLU 83 Cb 0.06 -0.56 0.13 0.00 0.10 0.00 0.00 34.13 33.86 2gtj s GLU 83 CO 0.15 -0.27 1.18 0.96 0.02 0.00 0.00 175.26 177.30 2gtj s ILE 84 N 1.81 1.99 -0.63 -1.63 -4.36 -1.26 -0.25 121.20 116.86 2gtj s ILE 84 Ca 0.01 0.00 -0.28 0.00 -0.26 0.00 0.00 60.65 60.12 2gtj s ILE 84 Cb -0.12 -2.88 0.03 0.00 1.25 0.00 0.00 42.46 40.73 2gtj s ILE 84 CO -0.03 0.00 1.28 -0.62 0.24 0.00 0.00 174.94 175.80 2gtj s ASP 85 N -4.36 6.27 -0.94 4.36 2.15 -0.30 -4.79 116.67 119.06 2gtj s ASP 85 Ca 0.64 -0.04 -0.22 0.00 0.43 0.00 0.00 52.55 53.37 2gtj s ASP 85 Cb -0.12 -2.55 0.08 0.00 -0.30 0.00 0.00 42.92 40.03 2gtj s ASP 85 CO 0.51 -1.66 1.29 -0.31 -0.17 0.00 0.00 175.17 174.83 2gtj s TYR 86 N 5.51 2.71 -0.92 -5.34 1.51 -1.26 -4.76 117.35 114.80 2gtj s TYR 86 Ca 0.43 -0.93 -0.23 0.00 -1.01 0.00 0.00 57.07 55.33 2gtj s TYR 86 Cb -0.08 -4.52 0.07 0.00 -0.11 0.00 0.00 41.96 37.31 2gtj s TYR 86 CO 0.22 -1.78 1.30 0.34 -1.11 0.00 0.00 175.55 174.52 2gtj s ASP 87 N 4.32 6.45 -0.30 2.29 2.15 -1.26 -4.80 116.67 125.53 2gtj s ASP 87 Ca 0.39 -1.40 -0.24 0.00 0.43 0.00 0.00 52.55 51.72 2gtj s ASP 87 Cb -0.04 -2.51 0.19 0.00 -0.30 0.00 0.00 42.92 40.26 2gtj s ASP 87 CO -0.06 -1.45 1.39 -0.55 -0.17 0.00 0.00 175.17 174.33 2gtj s SER 88 N 4.35 -0.09 0.00 -0.34 0.15 -1.26 -5.06 113.70 111.45 2gtj s SER 88 Ca 0.39 0.18 0.06 0.00 0.70 0.00 0.00 55.95 57.27 2gtj s SER 88 Cb -0.04 0.28 0.12 0.00 -1.71 0.00 0.00 66.02 64.67 2gtj s SER 88 CO -0.04 -0.03 0.98 0.18 1.20 0.00 0.00 173.24 175.52 2gtj n LEU 89 N 1.82 2.14 -3.78 3.45 4.77 -1.26 -4.97 117.00 119.17 2gtj n LEU 89 Ca -0.11 -1.63 -0.13 0.00 -0.03 0.00 0.00 56.01 54.11 2gtj n LEU 89 Cb 0.57 -0.08 -0.13 0.00 -2.33 0.00 0.00 43.42 41.45 2gtj n LEU 89 CO 0.02 0.51 -0.15 -0.75 -1.33 0.00 0.00 177.39 175.69 2gtj s LYS 90 N -0.82 0.20 0.22 3.23 2.20 -1.26 -5.12 119.74 118.39 2gtj s LYS 90 Ca 0.11 0.35 -0.31 0.00 -0.36 0.00 0.00 55.97 55.76 2gtj s LYS 90 Cb 0.06 0.01 -0.10 0.00 -1.51 0.00 0.00 37.83 36.29 2gtj s LYS 90 CO 0.08 -0.08 1.52 -1.17 -0.36 0.00 0.00 175.35 175.34 2gtj s LEU 91 N 0.53 4.37 -0.63 5.43 2.96 -1.26 -4.89 118.68 125.20 2gtj s LEU 91 Ca -0.04 2.69 -0.27 0.00 -0.22 0.00 0.00 54.13 56.30 2gtj s LEU 91 Cb -0.05 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.01 2gtj s LEU 91 CO -0.03 -0.79 1.80 -0.54 -1.32 0.00 0.00 176.35 175.48 2gtj s LYS 92 N 0.24 2.68 -0.06 1.98 1.02 -1.26 -4.64 119.74 119.71 2gtj s LYS 92 Ca 0.64 0.52 0.08 0.00 0.02 0.00 0.00 55.97 57.23 2gtj s LYS 92 Cb -0.44 -4.37 0.13 0.00 -0.52 0.00 0.00 37.83 32.63 2gtj s LYS 92 CO 0.39 -2.68 1.05 1.17 -0.92 0.00 0.00 175.35 174.36 2gtj n LYS 93 N 9.21 2.08 0.00 1.68 4.81 -1.26 -4.55 118.16 130.13 2gtj n LYS 93 Ca 0.19 -1.93 0.13 0.00 -0.87 0.00 0.00 58.31 55.83 2gtj n LYS 93 Cb 0.52 -1.19 0.53 0.00 0.02 0.00 0.00 35.03 34.90 2gtj n LYS 93 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2gtj n ASP 94 N -0.88 0.13 -4.93 3.14 5.75 -1.26 -4.79 116.55 113.71 2gtj n ASP 94 Ca 0.07 0.32 -0.28 0.00 -0.01 0.00 0.00 54.79 54.89 2gtj n ASP 94 Cb 0.44 -0.32 -0.03 0.00 -1.03 0.00 0.00 41.12 40.18 2gtj n ASP 94 CO 0.00 0.00 0.00 -1.48 -0.11 0.00 0.00 177.20 175.61 2gtj s LEU 95 N -3.03 4.24 0.00 -2.12 0.05 -1.26 -5.32 118.68 111.24 2gtj s LEU 95 Ca 0.13 0.40 0.00 0.00 0.05 0.00 0.00 54.13 54.71 2gtj s LEU 95 Cb 0.19 -3.16 0.00 0.00 -2.05 0.00 0.00 46.19 41.16 2gtj s LEU 95 CO 0.57 -0.02 0.10 -1.84 -0.55 0.00 0.00 176.35 174.61