#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 1.76 0.21 3.49 -2.85 -1.26 -5.14 119.74 115.96 2gtj s LYS 2 Ca 0.00 -1.98 -0.05 0.00 -1.00 0.00 0.00 55.97 52.94 2gtj s LYS 2 Cb 0.00 -1.19 -0.06 0.00 -2.06 0.00 0.00 37.83 34.53 2gtj s LYS 2 CO 0.00 -0.12 0.46 0.21 0.10 0.00 0.00 175.35 176.01 2gtj s LYS 3 N -3.81 3.64 0.00 1.78 2.20 -1.26 -4.96 119.74 117.33 2gtj s LYS 3 Ca 0.35 -0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.93 2gtj s LYS 3 Cb 0.09 -2.75 0.00 0.00 -1.51 0.00 0.00 37.83 33.66 2gtj s LYS 3 CO 0.16 0.36 0.75 -0.85 -0.36 0.00 0.00 175.35 175.40 2gtj n GLU 4 N -0.37 0.84 -2.21 4.03 0.28 -1.26 -4.66 120.64 117.29 2gtj n GLU 4 Ca -0.02 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.67 2gtj n GLU 4 Cb 0.53 -1.09 -0.04 0.00 1.43 0.00 0.00 31.44 32.26 2gtj n GLU 4 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 2gtj s GLN 5 N -1.78 2.88 -0.01 3.44 2.00 -1.26 -4.58 119.66 120.35 2gtj s GLN 5 Ca 0.00 -0.67 0.13 0.00 -2.00 0.00 0.00 55.36 52.81 2gtj s GLN 5 Cb 0.00 -5.18 -0.17 0.00 0.80 0.00 0.00 33.01 28.46 2gtj s GLN 5 CO 0.00 -3.09 0.41 0.36 -0.50 0.00 0.00 175.29 172.47 2gtj n LYS 6 N 8.78 1.54 -2.92 1.67 -0.00 -1.26 -4.73 118.16 121.24 2gtj n LYS 6 Ca 0.39 -0.06 -0.44 0.00 -0.00 0.00 0.00 58.31 58.20 2gtj n LYS 6 Cb 0.48 -1.21 0.00 0.00 -0.00 0.00 0.00 35.03 34.30 2gtj n LYS 6 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2gtj n GLU 7 N -1.65 3.53 -0.02 -1.58 1.02 -1.26 -4.53 120.64 116.15 2gtj n GLU 7 Ca -0.00 -3.96 -0.04 0.00 -0.02 0.00 0.00 57.16 53.13 2gtj n GLU 7 Cb 0.27 -2.88 -0.01 0.00 -0.02 0.00 0.00 31.44 28.79 2gtj n GLU 7 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2gtj n LYS 8 N 4.41 0.26 -2.32 3.49 5.02 -1.26 -5.07 118.16 122.69 2gtj n LYS 8 Ca 0.34 0.10 -0.10 0.00 -2.02 0.00 0.00 58.31 56.64 2gtj n LYS 8 Cb 0.40 -0.93 0.00 0.00 -0.02 0.00 0.00 35.03 34.48 2gtj n LYS 8 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2gtj n GLU 9 N -3.89 1.16 -0.87 1.97 -0.58 -1.26 -4.99 120.64 112.17 2gtj n GLU 9 Ca -0.07 -1.29 -0.16 0.00 -0.42 0.00 0.00 57.16 55.23 2gtj n GLU 9 Cb 0.25 0.12 0.04 0.00 -0.57 0.00 0.00 31.44 31.28 2gtj n GLU 9 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2gtj n LYS 10 N -1.03 1.76 -2.49 3.49 4.81 -1.26 -4.78 118.16 118.67 2gtj n LYS 10 Ca -0.00 -1.49 -0.09 0.00 -0.87 0.00 0.00 58.31 55.86 2gtj n LYS 10 Cb 0.24 -1.58 -0.00 0.00 0.02 0.00 0.00 35.03 33.70 2gtj n LYS 10 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2gtj n LYS 11 N 0.40 -2.50 -3.79 1.64 2.85 -1.26 -1.85 118.16 113.64 2gtj n LYS 11 Ca 0.29 0.40 -0.27 0.00 -1.05 0.00 0.00 58.31 57.67 2gtj n LYS 11 Cb 0.58 -4.97 0.04 0.00 -0.65 0.00 0.00 35.03 30.03 2gtj n LYS 11 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2gtj n GLU 12 N -2.73 -6.05 0.07 -1.58 4.71 -1.26 -4.89 120.64 108.91 2gtj n GLU 12 Ca -0.09 0.66 -0.08 0.00 -0.01 0.00 0.00 57.16 57.64 2gtj n GLU 12 Cb 0.57 -5.55 -0.12 0.00 -1.01 0.00 0.00 31.44 25.33 2gtj n GLU 12 CO 0.00 0.00 0.00 0.37 0.09 0.00 0.00 177.13 177.59 2gtj h GLN 13 N -2.19 0.04 -0.73 3.49 4.15 -1.79 -3.31 115.11 114.77 2gtj h GLN 13 Ca -0.58 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 58.74 2gtj h GLN 13 Cb 1.37 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 29.05 2gtj h GLN 13 CO 0.62 1.03 0.37 1.05 -1.93 0.00 0.00 178.83 179.98 2gtj h GLU 14 N 0.01 1.03 0.00 1.69 4.11 -1.90 -2.99 114.58 116.53 2gtj h GLU 14 Ca -0.03 -0.13 -0.02 0.00 0.07 0.00 0.00 59.36 59.25 2gtj h GLU 14 Cb 1.80 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.85 2gtj h GLU 14 CO 0.14 0.78 -0.09 -0.84 0.07 0.00 0.00 179.01 179.07 2gtj h ILE 15 N 1.03 0.47 0.38 -1.06 -0.00 -1.89 -3.11 117.51 113.32 2gtj h ILE 15 Ca 0.25 -0.45 -0.00 0.00 -0.00 0.00 0.00 64.86 64.66 2gtj h ILE 15 Cb 0.07 1.30 -0.03 0.00 -0.00 0.00 0.00 36.82 38.17 2gtj h ILE 15 CO -0.04 0.09 -0.46 0.11 -0.00 0.00 0.00 178.15 177.85 2gtj h LYS 16 N 0.00 -0.84 -0.13 0.16 6.56 -1.72 -1.57 116.57 119.03 2gtj h LYS 16 Ca -0.00 0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.65 2gtj h LYS 16 Cb 0.30 0.19 0.00 0.00 -0.57 0.00 0.00 32.23 32.15 2gtj h LYS 16 CO 0.01 -0.56 0.00 1.63 -2.06 0.00 0.00 179.45 178.47 2gtj n LYS 17 N -5.52 1.32 -0.06 3.15 5.02 -1.18 -1.66 118.16 119.23 2gtj n LYS 17 Ca -0.10 -0.49 -0.05 0.00 -2.02 0.00 0.00 58.31 55.64 2gtj n LYS 17 Cb 0.43 -1.15 -0.02 0.00 -0.02 0.00 0.00 35.03 34.27 2gtj n LYS 17 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2gtj n LYS 18 N -0.14 0.40 0.12 1.97 4.76 -0.66 -4.51 118.16 120.12 2gtj n LYS 18 Ca 0.07 0.43 0.08 0.00 -2.87 0.00 0.00 58.31 56.02 2gtj n LYS 18 Cb 0.13 -1.51 0.03 0.00 -1.84 0.00 0.00 35.03 31.83 2gtj n LYS 18 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 2gtj h PHE 19 N -0.87 0.00 -3.94 2.13 3.04 -1.49 -3.45 116.94 112.36 2gtj h PHE 19 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2gtj h PHE 19 Cb 0.53 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.04 2gtj h PHE 19 CO -0.23 0.16 -0.28 1.17 -2.02 0.00 0.00 178.31 177.11 2gtj n LYS 20 N -2.88 -1.18 -0.04 1.11 4.81 -0.66 -4.35 118.16 114.97 2gtj n LYS 20 Ca -0.01 1.29 -0.04 0.00 -0.87 0.00 0.00 58.31 58.68 2gtj n LYS 20 Cb 0.62 -3.13 -0.01 0.00 0.02 0.00 0.00 35.03 32.52 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 -0.17 0.96 -3.35 3.14 7.99 -1.19 -4.98 117.00 119.40 2gtj n LEU 21 Ca 0.03 0.20 -0.28 0.00 -0.01 0.00 0.00 56.01 55.96 2gtj n LEU 21 Cb 0.13 -0.63 0.02 0.00 -0.11 0.00 0.00 43.42 42.83 2gtj n LEU 21 CO 0.20 -0.40 -0.23 1.07 -1.51 0.00 0.00 177.39 176.52 2gtj n THR 22 N -3.47 -3.00 0.00 -5.08 5.66 -1.26 -4.92 114.28 102.20 2gtj n THR 22 Ca -0.07 0.03 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 2gtj n THR 22 Cb 0.24 -2.71 0.00 0.00 -1.55 0.00 0.00 70.33 66.31 2gtj n THR 22 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2gtj n GLY 23 N -0.76 2.39 3.73 1.09 0.00 -1.26 -5.11 105.19 105.28 2gtj n GLY 23 Ca -0.17 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 2gtj n GLY 23 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2gtj s PRO 24 N -1.99 4.30 -0.06 1.61 0.02 -1.26 -5.02 135.00 132.61 2gtj s PRO 24 Ca 0.00 2.19 -0.12 0.00 0.02 0.00 0.00 61.00 63.09 2gtj s PRO 24 Cb 0.00 -3.17 0.02 0.00 0.02 0.00 0.00 34.50 31.37 2gtj s PRO 24 CO 0.00 -0.41 0.29 -1.50 -0.33 0.00 0.00 177.00 175.05 2gtj s ILE 25 N 0.51 0.03 0.38 2.83 1.10 -1.26 -5.17 121.20 119.62 2gtj s ILE 25 Ca 0.62 -0.27 0.03 0.00 -0.51 0.00 0.00 60.65 60.52 2gtj s ILE 25 Cb -0.40 -0.51 -0.04 0.00 0.15 0.00 0.00 42.46 41.66 2gtj s ILE 25 CO 0.36 -0.15 0.10 0.00 -2.11 0.00 0.00 174.94 173.14 2gtj s GLN 26 N -0.63 1.82 0.16 3.50 -2.07 -1.26 -5.10 119.66 116.07 2gtj s GLN 26 Ca -0.07 -2.08 -0.31 0.00 -1.82 0.00 0.00 55.36 51.08 2gtj s GLN 26 Cb -0.04 -0.72 -0.09 0.00 -1.09 0.00 0.00 33.01 31.07 2gtj s GLN 26 CO 0.02 -0.36 1.40 0.08 -1.32 0.00 0.00 175.29 175.11 2gtj s VAL 27 N -3.25 3.10 -0.17 3.63 1.01 -1.26 -4.51 120.40 118.95 2gtj s VAL 27 Ca 0.28 0.83 0.10 0.00 0.00 0.00 0.00 61.98 63.19 2gtj s VAL 27 Cb 0.05 -3.53 -0.23 0.00 0.00 0.00 0.00 36.38 32.67 2gtj s VAL 27 CO 0.14 0.09 0.17 -0.38 0.00 0.00 0.00 175.10 175.12 2gtj n ILE 28 N 3.40 1.51 -3.81 2.22 2.08 0.11 -4.98 119.36 119.88 2gtj n ILE 28 Ca 0.10 -0.75 -0.05 0.00 0.56 0.00 0.00 62.75 62.61 2gtj n ILE 28 Cb 0.42 -0.97 0.00 0.00 -0.75 0.00 0.00 39.64 38.34 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 -0.04 -0.25 1.39 3.76 -1.21 -5.01 115.29 111.41 2gtj s HIS 29 Ca -0.16 -0.38 -0.03 0.00 -0.15 0.00 0.00 55.06 54.34 2gtj s HIS 29 Cb 0.07 0.70 0.01 0.00 1.11 0.00 0.00 32.58 34.48 2gtj s HIS 29 CO 0.77 -1.04 -0.03 -0.51 -0.85 0.00 0.00 174.74 173.09 2gtj s LEU 30 N -3.09 3.23 0.22 0.89 2.01 -1.26 -1.12 118.68 119.56 2gtj s LEU 30 Ca 0.15 -0.70 0.00 0.00 0.01 0.00 0.00 54.13 53.60 2gtj s LEU 30 Cb -0.03 -1.73 -0.04 0.00 0.01 0.00 0.00 46.19 44.40 2gtj s LEU 30 CO 0.05 -0.11 0.40 0.00 1.01 0.00 0.00 176.35 177.71 2gtj s ALA 31 N 1.41 3.83 -0.21 4.21 0.00 0.26 -1.12 121.76 130.14 2gtj s ALA 31 Ca 0.02 -0.90 -0.06 0.00 0.00 0.00 0.00 51.96 51.02 2gtj s ALA 31 Cb -0.16 -1.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.97 2gtj s ALA 31 CO -0.03 0.35 0.03 0.21 0.00 0.00 0.00 175.76 176.33 2gtj s LYS 32 N -3.54 3.68 -0.39 0.00 2.20 0.10 0.43 119.74 122.22 2gtj s LYS 32 Ca 0.38 -0.48 -0.28 0.00 -0.36 0.00 0.00 55.97 55.23 2gtj s LYS 32 Cb -0.11 -3.17 -0.03 0.00 -1.51 0.00 0.00 37.83 33.01 2gtj s LYS 32 CO 0.30 -0.01 2.01 0.00 -0.36 0.00 0.00 175.35 177.28 2gtj s ALA 33 N 1.10 2.48 -1.22 3.13 0.00 -1.26 -1.06 121.76 124.93 2gtj s ALA 33 Ca 0.03 0.14 0.27 0.00 0.00 0.00 0.00 51.96 52.40 2gtj s ALA 33 Cb -0.14 -4.14 0.80 0.00 0.00 0.00 0.00 23.12 19.63 2gtj s ALA 33 CO 0.02 -3.25 1.61 0.00 0.00 0.00 0.00 175.76 174.14 2gtj s ASP 36 N 1.13 5.92 0.31 0.00 -4.77 -1.26 -4.17 116.67 113.84 2gtj s ASP 36 Ca -0.09 -0.28 0.09 0.00 -3.30 0.00 0.00 52.55 48.97 2gtj s ASP 36 Cb -0.10 -2.55 -0.05 0.00 -1.09 0.00 0.00 42.92 39.13 2gtj s ASP 36 CO -0.06 -1.99 0.04 0.54 0.70 0.00 0.00 175.17 174.40 2gtj s VAL 37 N 6.67 3.01 -0.13 2.11 0.11 -0.15 -4.92 120.40 127.10 2gtj s VAL 37 Ca 0.44 -1.88 0.15 0.00 -2.93 0.00 0.00 61.98 57.76 2gtj s VAL 37 Cb -0.09 -2.86 0.33 0.00 -1.53 0.00 0.00 36.38 32.24 2gtj s VAL 37 CO 0.15 -0.26 1.17 2.29 -3.33 0.00 0.00 175.10 175.12 2gtj n LYS 38 N -0.99 1.12 -0.00 1.54 0.00 -1.26 -2.53 118.16 116.03 2gtj n LYS 38 Ca -0.05 -2.65 0.00 0.00 -0.00 0.00 0.00 58.31 55.62 2gtj n LYS 38 Cb 0.61 -1.26 0.00 0.00 -0.00 0.00 0.00 35.03 34.37 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 -0.92 0.91 3.56 2.58 0.00 -1.20 -4.74 105.19 105.38 2gtj n GLY 39 Ca 0.14 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.00 0.56 -0.61 -0.02 0.00 -1.26 -3.88 107.32 100.10 2gtj s GLY 40 Ca 0.00 -1.64 -0.03 0.00 0.00 0.00 0.00 44.72 43.05 2gtj s GLY 40 CO 0.00 3.19 0.61 1.17 0.00 0.00 0.00 173.10 178.07 2gtj n LYS 41 N 8.93 -1.40 -2.90 2.90 4.81 -1.26 -4.37 118.16 124.88 2gtj n LYS 41 Ca 0.34 1.52 -0.10 0.00 -0.87 0.00 0.00 58.31 59.20 2gtj n LYS 41 Cb 0.49 -5.34 0.01 0.00 0.02 0.00 0.00 35.03 30.21 2gtj n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2gtj n ASN 42 N -1.41 -7.78 -2.28 3.14 4.13 -1.25 -5.05 115.26 104.75 2gtj n ASN 42 Ca 0.02 0.50 -0.10 0.00 1.68 0.00 0.00 54.58 56.68 2gtj n ASN 42 Cb 0.48 -5.12 -0.03 0.00 -1.54 0.00 0.00 39.78 33.57 2gtj n ASN 42 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2gtj n GLU 43 N -0.28 0.36 -3.72 3.52 2.13 -1.22 -4.78 120.64 116.65 2gtj n GLU 43 Ca 0.10 -1.85 -0.32 0.00 0.66 0.00 0.00 57.16 55.76 2gtj n GLU 43 Cb 0.47 1.66 -0.05 0.00 0.27 0.00 0.00 31.44 33.80 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 4.29 -0.34 4.31 0.20 -0.90 -4.44 118.68 121.80 2gtj s LEU 44 Ca 0.21 0.53 -0.14 0.00 0.69 0.00 0.00 54.13 55.41 2gtj s LEU 44 Cb 0.00 -3.20 -0.01 0.00 -0.43 0.00 0.00 46.19 42.54 2gtj s LEU 44 CO 0.15 0.09 0.32 -0.44 -0.29 0.00 0.00 176.35 176.17 2gtj s SER 45 N -2.39 6.14 0.10 3.68 0.01 -1.26 -3.25 113.70 116.72 2gtj s SER 45 Ca 0.39 -0.31 -0.06 0.00 1.31 0.00 0.00 55.95 57.29 2gtj s SER 45 Cb -0.12 -2.18 -0.02 0.00 0.21 0.00 0.00 66.02 63.91 2gtj s SER 45 CO 0.25 -0.30 0.14 0.72 0.41 0.00 0.00 173.24 174.45 2gtj s PHE 46 N 1.91 0.37 0.19 2.43 -0.12 -1.05 -5.00 117.98 116.71 2gtj s PHE 46 Ca 0.10 -0.81 0.09 0.00 -0.05 0.00 0.00 56.93 56.25 2gtj s PHE 46 Cb -0.17 -0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 41.99 2gtj s PHE 46 CO 0.11 -0.53 -0.11 0.15 -0.05 0.00 0.00 175.22 174.79 2gtj s LYS 47 N -3.92 2.02 0.04 1.99 -0.14 -1.26 -0.98 119.74 117.49 2gtj s LYS 47 Ca 0.10 -1.31 -0.35 0.00 -1.36 0.00 0.00 55.97 53.06 2gtj s LYS 47 Cb 0.06 -2.13 -0.14 0.00 -1.68 0.00 0.00 37.83 33.94 2gtj s LYS 47 CO -0.07 0.43 1.65 1.04 -0.76 0.00 0.00 175.35 177.63 2gtj n GLN 48 N 0.01 1.91 -1.15 1.68 6.02 -1.26 -1.80 117.38 122.79 2gtj n GLN 48 Ca -0.11 0.69 -0.03 0.00 -0.01 0.00 0.00 57.00 57.55 2gtj n GLN 48 Cb 0.56 -2.46 -0.01 0.00 1.02 0.00 0.00 30.24 29.35 2gtj n GLN 48 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2gtj n GLY 49 N 3.64 0.57 0.12 1.08 0.00 0.08 -4.93 105.19 105.74 2gtj n GLY 49 Ca 0.20 -0.94 -0.04 0.00 0.00 0.00 0.00 46.02 45.24 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 0.03 -2.02 1.61 4.39 -1.58 -3.47 114.58 113.54 2gtj h GLU 50 Ca -0.06 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.62 2gtj h GLU 50 Cb 0.25 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2gtj h GLU 50 CO 0.08 0.76 -0.22 0.94 -1.16 0.00 0.00 179.01 179.41 2gtj n GLN 51 N -3.67 -1.25 -4.38 2.33 0.00 -1.26 -4.96 117.38 104.18 2gtj n GLN 51 Ca -0.01 1.28 -0.27 0.00 -0.00 0.00 0.00 57.00 58.00 2gtj n GLN 51 Cb 0.72 -1.12 -0.11 0.00 0.00 0.00 0.00 30.24 29.74 2gtj n GLN 51 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2gtj s ILE 52 N -0.12 2.62 -0.07 1.69 1.01 0.17 -4.71 121.20 121.78 2gtj s ILE 52 Ca 0.00 -1.93 0.02 0.00 0.00 0.00 0.00 60.65 58.73 2gtj s ILE 52 Cb 0.00 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.17 2gtj s ILE 52 CO 0.00 -0.13 -0.10 -1.61 0.00 0.00 0.00 174.94 173.11 2gtj s GLU 53 N -2.76 2.73 -0.18 2.79 2.02 -0.26 0.91 118.70 123.95 2gtj s GLU 53 Ca 0.22 -0.60 -0.15 0.00 0.02 0.00 0.00 54.97 54.46 2gtj s GLU 53 Cb -0.08 -2.53 -0.04 0.00 0.10 0.00 0.00 34.13 31.58 2gtj s GLU 53 CO 0.12 0.61 0.37 -1.50 0.02 0.00 0.00 175.26 174.88 2gtj s ILE 54 N -0.68 5.23 -0.18 -1.63 1.10 -0.27 -0.75 121.20 124.02 2gtj s ILE 54 Ca 0.10 0.67 -0.07 0.00 -0.51 0.00 0.00 60.65 60.85 2gtj s ILE 54 Cb -0.11 -3.71 -0.09 0.00 0.15 0.00 0.00 42.46 38.71 2gtj s ILE 54 CO 0.01 0.30 -0.22 2.30 -2.11 0.00 0.00 174.94 175.22 2gtj n ILE 55 N 4.09 1.01 -4.50 2.00 -0.00 -0.42 0.05 119.36 121.59 2gtj n ILE 55 Ca -0.09 -0.29 -0.22 0.00 -0.00 0.00 0.00 62.75 62.15 2gtj n ILE 55 Cb 0.51 -1.59 -0.16 0.00 -0.00 0.00 0.00 39.64 38.40 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 -2.34 1.28 0.00 6.28 3.52 -1.18 -4.57 118.95 121.94 2gtj s ARG 56 Ca -0.25 -0.36 0.00 0.00 -0.13 0.00 0.00 55.73 54.98 2gtj s ARG 56 Cb 0.09 -1.14 0.00 0.00 -1.56 0.00 0.00 34.95 32.34 2gtj s ARG 56 CO 0.34 0.09 0.00 0.44 -0.81 0.00 0.00 175.30 175.37 2gtj n ILE 57 N 3.48 0.00 -3.92 4.11 -0.00 -1.26 -0.87 119.36 120.89 2gtj n ILE 57 Ca -0.20 0.00 -0.31 0.00 -0.00 0.00 0.00 62.75 62.24 2gtj n ILE 57 Cb 0.53 -0.60 -0.04 0.00 -0.00 0.00 0.00 39.64 39.53 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 -1.75 5.39 -0.67 7.28 -4.23 -1.26 -4.47 115.64 115.92 2gtj s THR 58 Ca 0.00 -0.40 -0.00 0.00 -1.18 0.00 0.00 61.69 60.11 2gtj s THR 58 Cb 0.00 -3.63 -0.00 0.00 1.34 0.00 0.00 72.50 70.20 2gtj s THR 58 CO 0.00 0.13 0.63 -0.67 -0.54 0.00 0.00 174.62 174.18 2gtj n ASP 59 N 0.27 -7.06 -4.51 3.99 2.03 -1.26 -5.05 116.55 104.96 2gtj n ASP 59 Ca -0.05 -0.10 -0.33 0.00 0.52 0.00 0.00 54.79 54.82 2gtj n ASP 59 Cb 0.51 -4.81 -0.12 0.00 -0.72 0.00 0.00 41.12 35.98 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 -2.92 4.26 -0.05 1.67 2.20 -1.26 -4.87 114.94 113.97 2gtj s ASN 60 Ca 0.03 -0.14 -0.14 0.00 -0.94 0.00 0.00 52.86 51.67 2gtj s ASN 60 Cb -0.00 -1.01 -0.09 0.00 -2.00 0.00 0.00 41.25 38.15 2gtj s ASN 60 CO 0.66 0.34 0.58 -0.65 -2.94 0.00 0.00 177.10 175.09 2gtj h PRO 61 N 5.39 -0.37 0.05 3.55 0.11 -1.87 -3.39 132.00 135.47 2gtj h PRO 61 Ca -0.46 0.03 -0.21 0.00 0.11 0.00 0.00 66.00 65.47 2gtj h PRO 61 Cb 1.16 0.08 0.02 0.00 0.11 0.00 0.00 31.00 32.38 2gtj h PRO 61 CO 0.51 -0.16 -0.84 1.49 -0.21 0.00 0.00 178.00 178.80 2gtj h GLU 62 N -1.06 0.49 0.00 1.05 4.57 -1.95 -3.47 114.58 114.20 2gtj h GLU 62 Ca -0.04 -0.59 0.00 0.00 -1.18 0.00 0.00 59.36 57.55 2gtj h GLU 62 Cb 0.38 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 2gtj h GLU 62 CO 0.06 1.22 0.00 0.41 -1.18 0.00 0.00 179.01 179.53 2gtj n GLY 63 N 1.23 1.77 3.57 1.92 0.00 -1.26 -5.13 105.19 107.30 2gtj n GLY 63 Ca -0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 1.96 0.50 1.61 -2.85 -1.26 -4.74 119.74 114.96 2gtj s LYS 64 Ca 0.00 -1.72 0.05 0.00 -1.00 0.00 0.00 55.97 53.30 2gtj s LYS 64 Cb 0.00 -1.89 0.03 0.00 -2.06 0.00 0.00 37.83 33.91 2gtj s LYS 64 CO 0.00 0.24 0.69 -1.58 0.10 0.00 0.00 175.35 174.79 2gtj s TRP 65 N -2.49 2.60 -0.36 1.78 0.51 0.92 -4.81 118.94 117.09 2gtj s TRP 65 Ca 0.32 -0.29 -0.04 0.00 -2.12 0.00 0.00 56.10 53.97 2gtj s TRP 65 Cb -0.02 -2.53 0.07 0.00 -0.81 0.00 0.00 33.47 30.18 2gtj s TRP 65 CO 0.18 -0.73 0.12 -1.17 -0.51 0.00 0.00 176.95 174.84 2gtj s LEU 66 N -4.57 4.61 0.28 2.99 2.96 -0.05 -0.37 118.68 124.52 2gtj s LEU 66 Ca 0.57 -1.54 0.09 0.00 -0.22 0.00 0.00 54.13 53.04 2gtj s LEU 66 Cb -0.09 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 2gtj s LEU 66 CO 0.36 -0.41 0.01 -0.83 -1.32 0.00 0.00 176.35 174.16 2gtj s GLY 67 N 1.59 1.73 0.04 7.98 0.00 -1.26 -1.30 107.32 116.11 2gtj s GLY 67 Ca 0.01 -1.71 0.00 0.00 0.00 0.00 0.00 44.72 43.02 2gtj s GLY 67 CO -0.01 -1.75 -0.04 -1.60 0.00 0.00 0.00 173.10 169.70 2gtj s ARG 68 N -3.69 0.48 0.14 2.90 3.52 0.08 -3.09 118.95 119.29 2gtj s ARG 68 Ca 0.32 -0.87 0.02 0.00 -0.13 0.00 0.00 55.73 55.08 2gtj s ARG 68 Cb -0.05 0.03 -0.04 0.00 -1.56 0.00 0.00 34.95 33.33 2gtj s ARG 68 CO 0.20 -0.04 0.28 0.99 -0.81 0.00 0.00 175.30 175.92 2gtj s THR 69 N -2.31 5.33 0.45 4.11 2.01 -1.01 -1.10 115.64 123.12 2gtj s THR 69 Ca -0.06 -0.67 0.17 0.00 0.31 0.00 0.00 61.69 61.44 2gtj s THR 69 Cb -0.04 -3.74 0.36 0.00 0.01 0.00 0.00 72.50 69.10 2gtj s THR 69 CO -0.03 -0.08 1.94 0.00 -0.69 0.00 0.00 174.62 175.76 2gtj h ALA 70 N 2.19 2.18 0.00 7.40 0.00 -1.93 0.42 119.26 129.52 2gtj h ALA 70 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2gtj h ALA 70 Cb 1.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2gtj h ALA 70 CO 0.69 -0.36 0.00 2.89 0.00 0.00 0.00 179.25 182.47 2gtj n ARG 71 N -4.45 0.69 -1.04 0.00 -4.01 -1.26 -4.94 116.66 101.64 2gtj n ARG 71 Ca 0.13 0.01 0.00 0.00 -1.04 0.00 0.00 57.85 56.94 2gtj n ARG 71 Cb 0.52 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 28.44 2gtj n ARG 71 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2gtj n GLY 72 N 1.02 -1.98 3.40 2.89 0.00 0.15 -5.10 105.19 105.57 2gtj n GLY 72 Ca 0.18 -0.49 -0.06 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.56 -0.48 1.61 0.01 -1.25 -4.88 113.70 108.15 2gtj s SER 73 Ca 0.00 1.18 0.02 0.00 1.31 0.00 0.00 55.95 58.46 2gtj s SER 73 Cb 0.00 1.63 0.13 0.00 0.21 0.00 0.00 66.02 67.98 2gtj s SER 73 CO 0.00 -0.23 0.23 -0.31 0.41 0.00 0.00 173.24 173.34 2gtj s TYR 74 N 2.63 3.45 -0.88 2.43 1.51 -1.26 -2.39 117.35 122.83 2gtj s TYR 74 Ca -0.04 -2.92 0.13 0.00 -1.01 0.00 0.00 57.07 53.23 2gtj s TYR 74 Cb -0.12 -2.99 0.39 0.00 -0.11 0.00 0.00 41.96 39.13 2gtj s TYR 74 CO -0.15 -0.85 1.32 0.41 -1.11 0.00 0.00 175.55 175.17 2gtj n GLY 75 N 3.71 2.96 3.03 0.71 0.00 -1.18 -4.86 105.19 109.56 2gtj n GLY 75 Ca 0.04 -0.54 -0.01 0.00 0.00 0.00 0.00 46.02 45.51 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 0.45 -1.51 -2.29 1.61 4.11 -1.26 -2.12 117.16 116.15 2gtj n TYR 76 Ca 0.15 0.67 -0.40 0.00 -0.00 0.00 0.00 57.90 58.31 2gtj n TYR 76 Cb 0.54 -2.12 -0.03 0.00 -0.00 0.00 0.00 39.34 37.73 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 -1.25 3.09 -0.27 -3.48 -4.36 0.50 -4.42 121.20 111.02 2gtj s ILE 77 Ca 0.01 1.09 -0.29 0.00 -0.26 0.00 0.00 60.65 61.20 2gtj s ILE 77 Cb -0.00 -3.68 0.01 0.00 1.25 0.00 0.00 42.46 40.04 2gtj s ILE 77 CO 0.30 0.25 1.05 -1.59 0.24 0.00 0.00 174.94 175.19 2gtj s LYS 78 N -1.69 4.18 0.38 0.37 -2.85 -1.26 -0.06 119.74 118.80 2gtj s LYS 78 Ca 0.48 1.24 0.31 0.00 -1.00 0.00 0.00 55.97 57.00 2gtj s LYS 78 Cb -0.35 -3.68 1.22 0.00 -2.06 0.00 0.00 37.83 32.95 2gtj s LYS 78 CO 0.46 -0.74 1.18 0.25 0.10 0.00 0.00 175.35 176.60 2gtj n THR 79 N 5.54 -0.10 0.74 3.79 -2.24 -1.26 0.39 114.28 121.14 2gtj n THR 79 Ca 0.12 1.24 0.12 0.00 -2.27 0.00 0.00 64.05 63.26 2gtj n THR 79 Cb 0.46 -2.05 0.49 0.00 -2.10 0.00 0.00 70.33 67.13 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 -3.82 0.44 1.21 4.28 5.66 -1.26 -2.93 114.28 117.86 2gtj n THR 80 Ca 0.32 -0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.44 2gtj n THR 80 Cb 1.35 -0.69 0.29 0.00 -1.55 0.00 0.00 70.33 69.74 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 -1.61 3.07 -2.34 1.79 0.00 0.16 -4.86 120.51 116.72 2gtj n ALA 81 Ca 0.05 -0.49 -0.18 0.00 0.00 0.00 0.00 53.44 52.83 2gtj n ALA 81 Cb 0.32 -1.03 -0.10 0.00 0.00 0.00 0.00 19.45 18.63 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 -2.38 0.67 -0.22 0.00 -7.23 -1.15 -0.13 120.40 109.96 2gtj s VAL 82 Ca 0.25 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.40 2gtj s VAL 82 Cb 0.19 -2.66 0.07 0.00 0.56 0.00 0.00 36.38 34.54 2gtj s VAL 82 CO 0.49 0.00 0.06 -1.61 -0.31 0.00 0.00 175.10 173.73 2gtj s GLU 83 N -4.00 0.54 0.71 4.82 2.02 -0.22 -4.76 118.70 117.80 2gtj s GLU 83 Ca 0.37 -0.48 -0.11 0.00 0.02 0.00 0.00 54.97 54.77 2gtj s GLU 83 Cb 0.08 -1.96 0.03 0.00 0.10 0.00 0.00 34.13 32.37 2gtj s GLU 83 CO 0.14 -0.73 1.09 0.96 0.02 0.00 0.00 175.26 176.74 2gtj s ILE 84 N 1.88 3.22 -0.64 -1.63 -4.36 -1.26 0.02 121.20 118.43 2gtj s ILE 84 Ca 0.02 0.33 -0.28 0.00 -0.26 0.00 0.00 60.65 60.46 2gtj s ILE 84 Cb -0.17 -3.38 0.03 0.00 1.25 0.00 0.00 42.46 40.19 2gtj s ILE 84 CO -0.14 -0.49 1.29 -0.62 0.24 0.00 0.00 174.94 175.23 2gtj s ASP 85 N -4.40 6.24 -0.16 4.36 2.15 -0.28 -4.81 116.67 119.77 2gtj s ASP 85 Ca 0.58 -0.08 -0.14 0.00 0.43 0.00 0.00 52.55 53.35 2gtj s ASP 85 Cb -0.11 -2.55 -0.10 0.00 -0.30 0.00 0.00 42.92 39.85 2gtj s ASP 85 CO 0.50 -1.70 0.05 1.88 -0.17 0.00 0.00 175.17 175.73 2gtj h TYR 86 N 10.19 0.00 -2.27 -5.34 0.05 -1.93 -3.43 116.97 114.24 2gtj h TYR 86 Ca -0.27 0.00 -0.65 0.00 0.05 0.00 0.00 58.73 57.87 2gtj h TYR 86 Cb 1.06 0.00 -0.15 0.00 1.01 0.00 0.00 36.73 38.66 2gtj h TYR 86 CO 1.07 0.63 0.86 0.34 -1.05 0.00 0.00 178.16 180.01 2gtj s ASP 87 N -6.17 6.43 0.15 3.88 2.15 -1.26 -4.99 116.67 116.86 2gtj s ASP 87 Ca -0.19 -1.50 -0.31 0.00 0.43 0.00 0.00 52.55 50.98 2gtj s ASP 87 Cb 0.03 -2.44 -0.09 0.00 -0.30 0.00 0.00 42.92 40.12 2gtj s ASP 87 CO 0.37 -1.31 1.40 -0.44 -0.17 0.00 0.00 175.17 175.02 2gtj s SER 88 N 3.88 6.79 -0.52 -0.34 0.01 -1.26 -3.66 113.70 118.60 2gtj s SER 88 Ca 0.31 2.41 -0.08 0.00 1.31 0.00 0.00 55.95 59.90 2gtj s SER 88 Cb -0.08 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.56 2gtj s SER 88 CO -0.02 -0.65 0.59 0.18 0.41 0.00 0.00 173.24 173.75 2gtj n LEU 89 N 3.55 -7.04 -4.57 2.44 4.77 -1.26 -4.85 117.00 110.05 2gtj n LEU 89 Ca 0.10 0.26 -0.39 0.00 -0.03 0.00 0.00 56.01 55.95 2gtj n LEU 89 Cb 0.42 -3.18 -0.03 0.00 -2.33 0.00 0.00 43.42 38.30 2gtj n LEU 89 CO 0.59 -1.70 1.80 -0.75 -1.33 0.00 0.00 177.39 176.00 2gtj s LYS 90 N -2.70 2.64 0.15 3.23 2.20 -1.24 -4.83 119.74 119.19 2gtj s LYS 90 Ca 0.13 1.34 0.04 0.00 -0.36 0.00 0.00 55.97 57.12 2gtj s LYS 90 Cb -0.04 -4.43 -0.08 0.00 -1.51 0.00 0.00 37.83 31.77 2gtj s LYS 90 CO 0.70 -2.67 1.33 -0.07 -0.36 0.00 0.00 175.35 174.29 2gtj h LEU 91 N 16.92 0.15 -9.77 5.43 3.38 -1.91 -3.43 115.31 126.08 2gtj h LEU 91 Ca -0.30 -0.14 -0.54 0.00 0.09 0.00 0.00 57.88 57.00 2gtj h LEU 91 Cb 1.22 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 2gtj h LEU 91 CO 1.11 1.01 0.09 -0.54 0.09 0.00 0.00 178.44 180.20 2gtj s LYS 92 N -2.99 4.35 -0.49 1.13 3.01 -1.26 -5.02 119.74 118.47 2gtj s LYS 92 Ca -0.01 0.93 0.03 0.00 -1.01 0.00 0.00 55.97 55.91 2gtj s LYS 92 Cb 0.10 -3.12 0.13 0.00 -1.01 0.00 0.00 37.83 33.93 2gtj s LYS 92 CO 0.82 0.53 0.25 0.21 0.51 0.00 0.00 175.35 177.67 2gtj s LYS 93 N -1.44 1.76 -0.29 1.68 2.20 -1.26 -4.96 119.74 117.42 2gtj s LYS 93 Ca 0.36 -2.42 0.02 0.00 -0.36 0.00 0.00 55.97 53.58 2gtj s LYS 93 Cb -0.20 -3.02 0.19 0.00 -1.51 0.00 0.00 37.83 33.30 2gtj s LYS 93 CO 0.22 -1.12 0.61 0.34 -0.36 0.00 0.00 175.35 175.04 2gtj s ASP 94 N -0.07 -1.49 -0.12 1.43 2.15 -1.26 -5.02 116.67 112.29 2gtj s ASP 94 Ca 0.17 0.50 -0.05 0.00 0.43 0.00 0.00 52.55 53.60 2gtj s ASP 94 Cb -0.25 2.07 0.02 0.00 -0.30 0.00 0.00 42.92 44.46 2gtj s ASP 94 CO -0.00 -0.27 0.10 -0.11 -0.17 0.00 0.00 175.17 174.71 2gtj n LEU 95 N 5.42 -4.53 0.00 -1.34 7.94 -1.26 -5.23 117.00 118.00 2gtj n LEU 95 Ca 0.02 1.10 0.12 0.00 -1.11 0.00 0.00 56.01 56.15 2gtj n LEU 95 Cb 0.53 -2.24 0.72 0.00 0.53 0.00 0.00 43.42 42.96 2gtj n LEU 95 CO -0.02 -2.05 0.90 -0.62 -1.11 0.00 0.00 177.39 174.49