#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 3.29 -0.01 3.44 2.36 -1.26 -4.66 119.74 122.90 2gtj s LYS 2 Ca 0.00 -1.47 -0.05 0.00 -2.55 0.00 0.00 55.97 51.90 2gtj s LYS 2 Cb 0.00 -4.47 -0.02 0.00 -1.05 0.00 0.00 37.83 32.29 2gtj s LYS 2 CO 0.00 -1.65 -0.09 1.17 1.55 0.00 0.00 175.35 176.33 2gtj n LYS 3 N 6.45 0.14 0.00 4.03 4.81 -1.26 -5.13 118.16 127.21 2gtj n LYS 3 Ca 0.04 0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 2gtj n LYS 3 Cb 0.46 -0.65 0.00 0.00 0.02 0.00 0.00 35.03 34.86 2gtj n LYS 3 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2gtj n GLU 4 N -3.42 0.00 -1.73 1.64 0.28 -1.26 -5.13 120.64 111.01 2gtj n GLU 4 Ca -0.04 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.54 2gtj n GLU 4 Cb 0.14 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.99 2gtj n GLU 4 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 2gtj n GLN 5 N -0.48 2.55 -0.34 3.44 7.27 -1.26 -4.88 117.38 123.68 2gtj n GLN 5 Ca 0.00 0.91 0.21 0.00 0.07 0.00 0.00 57.00 58.19 2gtj n GLN 5 Cb 0.00 -2.66 0.46 0.00 2.41 0.00 0.00 30.24 30.44 2gtj n GLN 5 CO 0.00 0.00 0.00 1.57 0.07 0.00 0.00 177.06 178.70 2gtj h LYS 6 N 4.68 0.45 -2.04 3.69 2.10 -2.02 -3.35 116.57 120.07 2gtj h LYS 6 Ca -0.46 -0.03 -0.26 0.00 -2.00 0.00 0.00 60.65 57.90 2gtj h LYS 6 Cb 1.24 -0.10 -0.32 0.00 -0.90 0.00 0.00 32.23 32.15 2gtj h LYS 6 CO 0.79 0.30 -0.58 -2.00 -2.00 0.00 0.00 179.45 175.95 2gtj s GLU 7 N -5.62 0.33 0.00 0.07 2.12 -1.26 -5.03 118.70 109.31 2gtj s GLU 7 Ca -0.10 0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.34 2gtj s GLU 7 Cb 0.27 -0.61 0.00 0.00 0.26 0.00 0.00 34.13 34.04 2gtj s GLU 7 CO 0.80 -0.90 0.00 1.63 -0.54 0.00 0.00 175.26 176.24 2gtj n LYS 8 N 5.33 0.00 -2.58 4.30 5.02 -1.26 -4.97 118.16 124.00 2gtj n LYS 8 Ca -0.02 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.14 2gtj n LYS 8 Cb 0.48 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.49 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 -0.97 -2.49 -3.62 1.97 1.02 -1.26 -4.88 120.64 110.39 2gtj n GLU 9 Ca 0.00 0.53 -0.28 0.00 -0.02 0.00 0.00 57.16 57.39 2gtj n GLU 9 Cb 0.00 -5.14 -0.11 0.00 -0.02 0.00 0.00 31.44 26.18 2gtj n GLU 9 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2gtj s LYS 10 N -5.17 1.61 -0.20 3.49 2.36 -1.26 -5.08 119.74 115.50 2gtj s LYS 10 Ca 0.06 -2.67 -0.24 0.00 -2.55 0.00 0.00 55.97 50.57 2gtj s LYS 10 Cb -0.03 -2.33 -0.02 0.00 -1.05 0.00 0.00 37.83 34.40 2gtj s LYS 10 CO 0.07 -1.34 0.76 0.15 1.55 0.00 0.00 175.35 176.54 2gtj s LYS 11 N -0.62 4.24 -0.42 4.03 1.02 -1.26 -4.94 119.74 121.79 2gtj s LYS 11 Ca 0.29 0.86 0.11 0.00 0.02 0.00 0.00 55.97 57.25 2gtj s LYS 11 Cb -0.00 -3.59 0.38 0.00 -0.52 0.00 0.00 37.83 34.09 2gtj s LYS 11 CO -0.18 -0.34 0.87 -1.91 -0.92 0.00 0.00 175.35 172.86 2gtj n GLU 12 N 5.35 1.82 0.09 1.68 2.13 -1.26 -4.87 120.64 125.57 2gtj n GLU 12 Ca 0.03 -3.83 0.12 0.00 0.66 0.00 0.00 57.16 54.13 2gtj n GLU 12 Cb 0.49 -1.80 0.45 0.00 0.27 0.00 0.00 31.44 30.85 2gtj n GLU 12 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 2gtj n GLN 13 N 0.00 0.17 0.23 5.31 7.27 -1.26 -2.97 117.38 126.13 2gtj n GLN 13 Ca 0.25 0.27 0.09 0.00 0.07 0.00 0.00 57.00 57.68 2gtj n GLN 13 Cb 0.63 -1.75 0.65 0.00 2.41 0.00 0.00 30.24 32.18 2gtj n GLN 13 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 2gtj h GLU 14 N 0.00 0.00 -0.04 3.69 3.07 -1.99 -1.92 114.58 117.39 2gtj h GLU 14 Ca 0.00 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.78 2gtj h GLU 14 Cb 0.50 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 2gtj h GLU 14 CO 0.00 0.00 -0.36 -0.84 -1.40 0.00 0.00 179.01 176.41 2gtj h ILE 15 N 0.00 1.27 0.00 3.13 -0.00 -1.87 -0.69 117.51 119.36 2gtj h ILE 15 Ca 0.03 -1.29 -0.13 0.00 -0.00 0.00 0.00 64.86 63.47 2gtj h ILE 15 Cb 0.12 1.64 -0.02 0.00 -0.00 0.00 0.00 36.82 38.56 2gtj h ILE 15 CO -0.00 0.38 -0.60 0.11 -0.00 0.00 0.00 178.15 178.03 2gtj h LYS 16 N 0.07 0.00 -0.00 0.16 1.57 -1.57 -1.73 116.57 115.07 2gtj h LYS 16 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2gtj h LYS 16 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2gtj h LYS 16 CO 0.05 0.60 -0.61 1.17 -0.57 0.00 0.00 179.45 180.09 2gtj n LYS 17 N -3.44 0.20 -0.03 3.15 4.81 -0.84 -3.64 118.16 118.38 2gtj n LYS 17 Ca 0.00 -0.14 -0.03 0.00 -0.87 0.00 0.00 58.31 57.28 2gtj n LYS 17 Cb 0.70 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 34.24 2gtj n LYS 17 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2gtj n LYS 18 N -1.28 0.16 0.08 1.64 3.00 -0.32 -4.72 118.16 116.72 2gtj n LYS 18 Ca 0.06 0.07 -0.11 0.00 -0.00 0.00 0.00 58.31 58.34 2gtj n LYS 18 Cb 0.35 -0.79 -0.10 0.00 0.00 0.00 0.00 35.03 34.49 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 -0.30 0.26 -3.45 5.64 3.04 -1.57 -3.45 116.94 117.11 2gtj h PHE 19 Ca 0.00 -0.18 0.00 0.00 3.98 0.00 0.00 57.97 61.77 2gtj h PHE 19 Cb 0.29 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.78 2gtj h PHE 19 CO -0.13 1.10 -0.24 1.63 -2.02 0.00 0.00 178.31 178.66 2gtj n LYS 20 N -3.49 -0.80 -0.12 1.11 5.02 -1.24 -4.21 118.16 114.42 2gtj n LYS 20 Ca -0.04 1.02 -0.25 0.00 -2.02 0.00 0.00 58.31 57.02 2gtj n LYS 20 Cb 0.94 -1.93 -0.11 0.00 -0.02 0.00 0.00 35.03 33.91 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 0.19 2.30 -1.64 -0.35 7.99 -1.26 -4.88 117.00 119.36 2gtj n LEU 21 Ca -0.02 0.19 -0.18 0.00 -0.01 0.00 0.00 56.01 56.00 2gtj n LEU 21 Cb 0.03 -0.88 -0.07 0.00 -0.11 0.00 0.00 43.42 42.39 2gtj n LEU 21 CO 0.09 0.68 -0.18 0.35 -1.51 0.00 0.00 177.39 176.82 2gtj n THR 22 N -3.92 -0.12 -3.63 -5.08 -2.24 -1.26 -4.89 114.28 93.14 2gtj n THR 22 Ca -0.48 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.24 2gtj n THR 22 Cb 0.91 -1.81 -0.06 0.00 -2.10 0.00 0.00 70.33 67.27 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 -2.44 0.05 -0.78 3.38 0.00 -1.26 -5.10 107.32 101.18 2gtj s GLY 23 Ca 0.00 2.89 -0.26 0.00 0.00 0.00 0.00 44.72 47.35 2gtj s GLY 23 CO 0.00 1.59 1.52 -4.14 0.00 0.00 0.00 173.10 172.08 2gtj s PRO 24 N -0.31 3.07 0.32 2.90 0.02 -1.26 -4.97 135.00 134.76 2gtj s PRO 24 Ca 0.05 -0.21 0.09 0.00 0.02 0.00 0.00 61.00 60.95 2gtj s PRO 24 Cb -0.03 -4.55 -0.05 0.00 0.02 0.00 0.00 34.50 29.88 2gtj s PRO 24 CO -0.08 -2.43 0.03 0.96 -0.33 0.00 0.00 177.00 175.15 2gtj s ILE 25 N 6.85 2.88 0.13 2.83 -5.25 -1.26 -5.15 121.20 122.23 2gtj s ILE 25 Ca 0.49 -1.91 0.00 0.00 -0.99 0.00 0.00 60.65 58.24 2gtj s ILE 25 Cb -0.07 -2.83 -0.00 0.00 2.95 0.00 0.00 42.46 42.51 2gtj s ILE 25 CO 0.10 -0.24 0.02 0.00 -1.79 0.00 0.00 174.94 173.03 2gtj n GLN 26 N -0.98 1.31 -1.66 0.37 10.64 -1.26 -5.05 117.38 120.75 2gtj n GLN 26 Ca -0.04 -1.01 -0.46 0.00 -1.83 0.00 0.00 57.00 53.66 2gtj n GLN 26 Cb 0.61 0.39 -0.03 0.00 -0.86 0.00 0.00 30.24 30.35 2gtj n GLN 26 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.06 176.78 2gtj n VAL 27 N -0.31 0.74 -0.08 -0.39 3.14 -1.26 -4.56 118.33 115.60 2gtj n VAL 27 Ca -0.04 -0.18 -0.11 0.00 -2.96 0.00 0.00 64.34 61.04 2gtj n VAL 27 Cb 0.18 -1.39 -0.15 0.00 -1.06 0.00 0.00 33.84 31.41 2gtj n VAL 27 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 2gtj n ILE 28 N 2.15 1.47 -3.46 1.55 -0.00 0.12 -4.97 119.36 116.21 2gtj n ILE 28 Ca 0.13 -0.79 -0.13 0.00 -0.00 0.00 0.00 62.75 61.95 2gtj n ILE 28 Cb 0.30 -0.78 -0.03 0.00 -0.00 0.00 0.00 39.64 39.13 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 -2.52 -0.55 -0.33 1.39 3.76 -1.23 -5.01 115.29 110.81 2gtj s HIS 29 Ca -0.13 0.54 -0.16 0.00 -0.15 0.00 0.00 55.06 55.16 2gtj s HIS 29 Cb 0.07 0.51 -0.01 0.00 1.11 0.00 0.00 32.58 34.26 2gtj s HIS 29 CO 0.79 -0.74 0.39 -0.51 -0.85 0.00 0.00 174.74 173.83 2gtj s LEU 30 N -2.26 4.35 0.17 0.89 2.01 -1.26 -1.07 118.68 121.52 2gtj s LEU 30 Ca -0.02 -0.10 -0.05 0.00 0.01 0.00 0.00 54.13 53.97 2gtj s LEU 30 Cb -0.01 -2.40 -0.06 0.00 0.01 0.00 0.00 46.19 43.74 2gtj s LEU 30 CO -0.06 -0.34 0.42 0.00 1.01 0.00 0.00 176.35 177.38 2gtj s ALA 31 N 2.10 3.75 -0.18 4.21 0.00 0.25 -0.54 121.76 131.34 2gtj s ALA 31 Ca 0.14 -0.54 -0.06 0.00 0.00 0.00 0.00 51.96 51.50 2gtj s ALA 31 Cb -0.16 -2.18 -0.03 0.00 0.00 0.00 0.00 23.12 20.75 2gtj s ALA 31 CO 0.12 0.59 0.01 0.21 0.00 0.00 0.00 175.76 176.69 2gtj s LYS 32 N -2.82 3.77 -0.11 0.00 2.20 0.15 0.57 119.74 123.49 2gtj s LYS 32 Ca 0.42 -0.45 -0.29 0.00 -0.36 0.00 0.00 55.97 55.29 2gtj s LYS 32 Cb -0.12 -3.08 -0.06 0.00 -1.51 0.00 0.00 37.83 33.06 2gtj s LYS 32 CO 0.25 0.18 1.89 0.00 -0.36 0.00 0.00 175.35 177.31 2gtj s ALA 33 N 0.57 3.28 -0.49 3.13 0.00 -1.26 -0.62 121.76 126.37 2gtj s ALA 33 Ca 0.00 0.89 0.24 0.00 0.00 0.00 0.00 51.96 53.09 2gtj s ALA 33 Cb -0.14 -3.89 0.40 0.00 0.00 0.00 0.00 23.12 19.49 2gtj s ALA 33 CO 0.02 -1.97 1.55 0.00 0.00 0.00 0.00 175.76 175.37 2gtj s ASP 36 N -2.30 6.21 0.17 0.00 -4.77 -1.26 -3.33 116.67 111.38 2gtj s ASP 36 Ca -0.02 -1.03 0.08 0.00 -3.30 0.00 0.00 52.55 48.27 2gtj s ASP 36 Cb 0.01 -2.35 -0.04 0.00 -1.09 0.00 0.00 42.92 39.44 2gtj s ASP 36 CO -0.06 -1.18 -0.07 0.54 0.70 0.00 0.00 175.17 175.10 2gtj s VAL 37 N 3.28 3.36 -2.15 2.11 0.11 -0.28 -4.92 120.40 121.90 2gtj s VAL 37 Ca 0.18 -1.54 0.21 0.00 -2.93 0.00 0.00 61.98 57.91 2gtj s VAL 37 Cb -0.19 -2.65 0.54 0.00 -1.53 0.00 0.00 36.38 32.54 2gtj s VAL 37 CO 0.10 -0.07 1.47 2.29 -3.33 0.00 0.00 175.10 175.56 2gtj n LYS 38 N 0.10 2.51 -1.09 1.54 0.00 -1.26 -1.46 118.16 118.50 2gtj n LYS 38 Ca -0.11 -2.32 0.00 0.00 -0.00 0.00 0.00 58.31 55.88 2gtj n LYS 38 Cb 0.55 -1.51 0.00 0.00 -0.00 0.00 0.00 35.03 34.06 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 1.53 0.91 3.85 2.58 0.00 -1.17 -4.53 105.19 108.36 2gtj n GLY 39 Ca 0.21 -0.43 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.71 2.41 -1.36 -0.02 0.00 -1.26 -3.51 107.32 100.87 2gtj s GLY 40 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.46 2gtj s GLY 40 CO 0.00 0.01 0.00 1.17 0.00 0.00 0.00 173.10 174.28 2gtj n LYS 41 N 1.10 -1.25 -2.56 2.90 4.81 -1.26 -3.77 118.16 118.13 2gtj n LYS 41 Ca -0.09 0.77 -0.02 0.00 -0.87 0.00 0.00 58.31 58.11 2gtj n LYS 41 Cb 0.52 -5.14 0.00 0.00 0.02 0.00 0.00 35.03 30.43 2gtj n LYS 41 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2gtj n ASN 42 N -0.99 -7.09 -1.81 3.14 4.05 -1.25 -5.09 115.26 106.22 2gtj n ASN 42 Ca -0.19 0.99 -0.07 0.00 0.45 0.00 0.00 54.58 55.77 2gtj n ASN 42 Cb 0.64 -4.69 -0.03 0.00 1.23 0.00 0.00 39.78 36.93 2gtj n ASN 42 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 177.26 175.42 2gtj n GLU 43 N 0.32 0.17 -3.67 1.20 2.13 -1.23 -4.62 120.64 114.93 2gtj n GLU 43 Ca 0.03 -1.20 -0.34 0.00 0.66 0.00 0.00 57.16 56.31 2gtj n GLU 43 Cb 0.12 1.01 -0.05 0.00 0.27 0.00 0.00 31.44 32.79 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 4.35 -0.25 4.31 0.20 -1.25 -4.51 118.68 121.53 2gtj s LEU 44 Ca 0.14 0.65 -0.14 0.00 0.69 0.00 0.00 54.13 55.47 2gtj s LEU 44 Cb 0.01 -2.88 -0.04 0.00 -0.43 0.00 0.00 46.19 42.84 2gtj s LEU 44 CO 0.10 0.19 0.35 -0.44 -0.29 0.00 0.00 176.35 176.26 2gtj s SER 45 N -1.83 6.28 0.32 3.68 0.01 -1.26 -3.05 113.70 117.85 2gtj s SER 45 Ca 0.31 0.32 -0.12 0.00 1.31 0.00 0.00 55.95 57.78 2gtj s SER 45 Cb -0.13 -2.20 0.02 0.00 0.21 0.00 0.00 66.02 63.91 2gtj s SER 45 CO 0.18 -0.11 0.60 0.72 0.41 0.00 0.00 173.24 175.04 2gtj s PHE 46 N 1.70 0.41 0.07 2.43 -0.12 -0.53 -4.95 117.98 116.99 2gtj s PHE 46 Ca 0.15 -0.84 0.07 0.00 -0.05 0.00 0.00 56.93 56.26 2gtj s PHE 46 Cb -0.15 0.37 -0.03 0.00 -0.63 0.00 0.00 43.02 42.58 2gtj s PHE 46 CO 0.09 -1.23 -0.18 0.15 -0.05 0.00 0.00 175.22 174.00 2gtj s LYS 47 N -3.25 1.07 -0.00 1.99 1.02 -1.26 -1.12 119.74 118.19 2gtj s LYS 47 Ca 0.21 -0.97 -0.36 0.00 0.02 0.00 0.00 55.97 54.87 2gtj s LYS 47 Cb -0.03 -1.19 -0.14 0.00 -0.52 0.00 0.00 37.83 35.95 2gtj s LYS 47 CO 0.13 0.29 1.62 0.94 -0.92 0.00 0.00 175.35 177.40 2gtj n GLN 48 N 1.50 1.70 -0.66 1.68 0.00 -1.21 -1.08 117.38 119.31 2gtj n GLN 48 Ca -0.19 0.62 0.00 0.00 -0.00 0.00 0.00 57.00 57.43 2gtj n GLN 48 Cb 0.54 -2.36 0.00 0.00 0.00 0.00 0.00 30.24 28.42 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 3.57 0.75 0.24 1.69 0.00 -0.38 -4.92 105.19 106.14 2gtj n GLY 49 Ca 0.21 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.27 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 2.82 0.11 -2.90 1.61 4.22 -1.37 -3.46 114.58 115.61 2gtj h GLU 50 Ca 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.42 2gtj h GLU 50 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2gtj h GLU 50 CO 0.00 0.23 -0.34 1.04 -2.18 0.00 0.00 179.01 177.76 2gtj n GLN 51 N -4.35 -1.80 -4.34 1.92 6.02 -1.26 -4.99 117.38 108.59 2gtj n GLN 51 Ca -0.02 1.63 -0.25 0.00 -0.01 0.00 0.00 57.00 58.35 2gtj n GLN 51 Cb 0.22 -1.94 -0.09 0.00 1.02 0.00 0.00 30.24 29.45 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 -0.21 3.02 -0.13 5.09 1.01 0.19 -4.63 121.20 125.56 2gtj s ILE 52 Ca 0.00 -1.90 -0.00 0.00 0.00 0.00 0.00 60.65 58.74 2gtj s ILE 52 Cb 0.00 -2.54 -0.02 0.00 0.01 0.00 0.00 42.46 39.91 2gtj s ILE 52 CO 0.00 -0.23 -0.11 -1.61 0.00 0.00 0.00 174.94 172.99 2gtj s GLU 53 N -3.15 3.34 -0.33 2.79 2.02 0.85 0.86 118.70 125.09 2gtj s GLU 53 Ca 0.27 -0.65 -0.24 0.00 0.02 0.00 0.00 54.97 54.37 2gtj s GLU 53 Cb -0.07 -2.66 0.01 0.00 0.10 0.00 0.00 34.13 31.50 2gtj s GLU 53 CO 0.16 0.27 0.81 -1.50 0.02 0.00 0.00 175.26 175.02 2gtj s ILE 54 N 0.22 4.74 -0.18 -1.63 1.10 -0.23 -0.83 121.20 124.39 2gtj s ILE 54 Ca -0.07 1.10 0.12 0.00 -0.51 0.00 0.00 60.65 61.28 2gtj s ILE 54 Cb -0.15 -4.20 -0.19 0.00 0.15 0.00 0.00 42.46 38.07 2gtj s ILE 54 CO 0.05 -0.36 -0.01 2.30 -2.11 0.00 0.00 174.94 174.81 2gtj n ILE 55 N 5.69 1.18 -3.74 2.00 -0.00 -0.80 0.12 119.36 123.81 2gtj n ILE 55 Ca 0.04 -0.65 -0.27 0.00 -0.00 0.00 0.00 62.75 61.87 2gtj n ILE 55 Cb 0.48 -0.73 -0.17 0.00 -0.00 0.00 0.00 39.64 39.22 2gtj n ILE 55 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 2gtj s ARG 56 N -2.41 0.63 -0.01 6.28 1.81 -1.09 -4.75 118.95 119.41 2gtj s ARG 56 Ca -0.14 -0.29 0.10 0.00 -1.72 0.00 0.00 55.73 53.69 2gtj s ARG 56 Cb 0.06 -1.84 -0.16 0.00 -0.45 0.00 0.00 34.95 32.56 2gtj s ARG 56 CO 0.64 -0.56 0.24 0.44 -0.68 0.00 0.00 175.30 175.38 2gtj n ILE 57 N 5.08 0.00 -3.83 1.52 -0.00 -1.26 -0.42 119.36 120.45 2gtj n ILE 57 Ca -0.08 -0.24 -0.36 0.00 -0.00 0.00 0.00 62.75 62.07 2gtj n ILE 57 Cb 0.48 0.32 -0.06 0.00 -0.00 0.00 0.00 39.64 40.38 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 -2.66 5.42 -0.43 7.28 -4.23 -1.26 -4.24 115.64 115.52 2gtj s THR 58 Ca -0.03 0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.66 2gtj s THR 58 Cb 0.07 -3.48 0.00 0.00 1.34 0.00 0.00 72.50 70.42 2gtj s THR 58 CO 0.43 0.52 0.00 -0.67 -0.54 0.00 0.00 174.62 174.35 2gtj n ASP 59 N 1.62 -2.65 -4.69 3.99 -0.08 -1.26 -4.98 116.55 108.49 2gtj n ASP 59 Ca -0.16 0.04 -0.42 0.00 -1.51 0.00 0.00 54.79 52.74 2gtj n ASP 59 Cb 0.54 -1.46 -0.03 0.00 2.34 0.00 0.00 41.12 42.51 2gtj n ASP 59 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2gtj s ASN 60 N -2.86 6.66 -0.07 1.67 2.20 -1.26 -4.69 114.94 116.59 2gtj s ASN 60 Ca 0.00 2.43 -0.22 0.00 -0.94 0.00 0.00 52.86 54.13 2gtj s ASN 60 Cb 0.00 -2.57 -0.30 0.00 -2.00 0.00 0.00 41.25 36.38 2gtj s ASN 60 CO 0.00 -0.83 0.81 1.55 -2.94 0.00 0.00 177.10 175.68 2gtj h PRO 61 N 7.95 0.25 -0.01 3.55 0.13 -1.82 -3.37 132.00 138.66 2gtj h PRO 61 Ca -0.42 -0.42 0.00 0.00 -0.87 0.00 0.00 66.00 64.29 2gtj h PRO 61 Cb 1.20 0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2gtj h PRO 61 CO 0.92 1.20 -0.53 0.39 -0.23 0.00 0.00 178.00 179.75 2gtj n GLU 62 N -4.16 1.02 0.00 0.86 -0.58 -1.26 -4.91 120.64 111.61 2gtj n GLU 62 Ca -0.16 -0.83 0.00 0.00 -0.42 0.00 0.00 57.16 55.75 2gtj n GLU 62 Cb 0.79 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 30.18 2gtj n GLU 62 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2gtj n GLY 63 N 1.43 3.37 3.78 0.62 0.00 -1.26 -5.04 105.19 108.08 2gtj n GLY 63 Ca 0.09 0.00 -0.31 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 -0.75 2.26 0.54 1.61 -2.85 -1.26 -4.84 119.74 114.45 2gtj s LYS 64 Ca 0.00 0.98 0.09 0.00 -1.00 0.00 0.00 55.97 56.03 2gtj s LYS 64 Cb 0.00 -1.91 0.07 0.00 -2.06 0.00 0.00 37.83 33.93 2gtj s LYS 64 CO 0.00 -1.58 0.75 -1.58 0.10 0.00 0.00 175.35 173.04 2gtj s TRP 65 N -2.98 1.77 -0.22 1.78 0.51 0.31 -4.62 118.94 115.48 2gtj s TRP 65 Ca 0.61 -0.61 0.02 0.00 -2.12 0.00 0.00 56.10 53.99 2gtj s TRP 65 Cb -0.16 -2.30 0.04 0.00 -0.81 0.00 0.00 33.47 30.25 2gtj s TRP 65 CO 0.56 -1.00 -0.14 -1.17 -0.51 0.00 0.00 176.95 174.68 2gtj s LEU 66 N -4.62 2.83 0.21 2.99 2.96 0.44 -0.69 118.68 122.81 2gtj s LEU 66 Ca 0.60 -1.06 0.09 0.00 -0.22 0.00 0.00 54.13 53.54 2gtj s LEU 66 Cb -0.07 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 2gtj s LEU 66 CO 0.38 -0.11 -0.07 -0.83 -1.32 0.00 0.00 176.35 174.40 2gtj s GLY 67 N 1.20 1.72 0.02 7.98 0.00 -1.16 -1.90 107.32 115.18 2gtj s GLY 67 Ca -0.03 -1.53 0.01 0.00 0.00 0.00 0.00 44.72 43.16 2gtj s GLY 67 CO -0.08 -1.57 -0.04 -1.60 0.00 0.00 0.00 173.10 169.81 2gtj s ARG 68 N -3.09 0.34 0.35 2.90 3.52 -0.01 -1.82 118.95 121.14 2gtj s ARG 68 Ca 0.27 -0.59 0.07 0.00 -0.13 0.00 0.00 55.73 55.34 2gtj s ARG 68 Cb -0.08 0.00 -0.01 0.00 -1.56 0.00 0.00 34.95 33.31 2gtj s ARG 68 CO 0.17 -0.02 0.49 0.95 -0.81 0.00 0.00 175.30 176.08 2gtj s THR 69 N -1.31 3.91 0.53 4.11 -4.23 -1.02 -0.10 115.64 117.53 2gtj s THR 69 Ca -0.13 -0.98 0.27 0.00 -1.18 0.00 0.00 61.69 59.67 2gtj s THR 69 Cb -0.09 -3.35 0.42 0.00 1.34 0.00 0.00 72.50 70.82 2gtj s THR 69 CO -0.01 -0.14 1.97 0.00 -0.54 0.00 0.00 174.62 175.90 2gtj h ALA 70 N 0.84 2.59 -0.02 3.99 0.00 -1.93 0.52 119.26 125.24 2gtj h ALA 70 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2gtj h ALA 70 Cb 1.26 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2gtj h ALA 70 CO 0.52 -0.77 -0.00 2.89 0.00 0.00 0.00 179.25 181.89 2gtj n ARG 71 N -4.35 1.95 -1.03 0.00 -4.01 -1.26 -5.00 116.66 102.96 2gtj n ARG 71 Ca 0.12 -1.39 0.00 0.00 -1.04 0.00 0.00 57.85 55.54 2gtj n ARG 71 Cb 0.70 -1.47 0.00 0.00 -3.04 0.00 0.00 32.46 28.65 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 1.26 -2.00 3.33 2.89 0.00 0.18 -5.10 105.19 105.74 2gtj n GLY 72 Ca 0.17 -0.43 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.50 -0.62 1.61 0.01 -1.26 -4.92 113.70 108.02 2gtj s SER 73 Ca 0.00 1.02 0.03 0.00 1.31 0.00 0.00 55.95 58.31 2gtj s SER 73 Cb 0.00 1.10 0.15 0.00 0.21 0.00 0.00 66.02 67.49 2gtj s SER 73 CO 0.00 -0.21 0.40 -0.31 0.41 0.00 0.00 173.24 173.53 2gtj s TYR 74 N 1.91 3.38 -0.49 2.43 1.51 -1.26 -2.42 117.35 122.42 2gtj s TYR 74 Ca -0.07 -3.13 -0.13 0.00 -1.01 0.00 0.00 57.07 52.74 2gtj s TYR 74 Cb -0.09 -2.90 0.11 0.00 -0.11 0.00 0.00 41.96 38.97 2gtj s TYR 74 CO -0.14 -0.71 0.40 0.20 -1.11 0.00 0.00 175.55 174.19 2gtj s GLY 75 N -0.41 2.05 -0.76 0.71 0.00 -0.76 -4.82 107.32 103.33 2gtj s GLY 75 Ca 0.20 -2.40 -0.29 0.00 0.00 0.00 0.00 44.72 42.23 2gtj s GLY 75 CO -0.06 1.11 2.56 1.58 0.00 0.00 0.00 173.10 178.29 2gtj n TYR 76 N 5.08 0.97 -2.83 1.90 0.18 -1.26 -2.99 117.16 118.21 2gtj n TYR 76 Ca -0.11 0.27 -0.34 0.00 1.88 0.00 0.00 57.90 59.59 2gtj n TYR 76 Cb 0.41 -2.50 -0.07 0.00 -0.38 0.00 0.00 39.34 36.81 2gtj n TYR 76 CO 0.00 0.00 0.00 0.96 -2.08 0.00 0.00 176.86 175.74 2gtj s ILE 77 N 10.35 4.36 -0.21 -3.48 -4.36 0.14 -4.29 121.20 123.71 2gtj s ILE 77 Ca 1.19 1.55 -0.29 0.00 -0.26 0.00 0.00 60.65 62.84 2gtj s ILE 77 Cb -0.78 -3.72 -0.00 0.00 1.25 0.00 0.00 42.46 39.20 2gtj s ILE 77 CO 0.39 -0.17 1.17 -1.59 0.24 0.00 0.00 174.94 174.98 2gtj s LYS 78 N -2.83 4.22 0.32 0.37 -2.85 -1.26 -0.53 119.74 117.18 2gtj s LYS 78 Ca 0.58 1.49 0.20 0.00 -1.00 0.00 0.00 55.97 57.24 2gtj s LYS 78 Cb -0.12 -3.72 1.13 0.00 -2.06 0.00 0.00 37.83 33.07 2gtj s LYS 78 CO 0.16 -0.71 1.27 0.25 0.10 0.00 0.00 175.35 176.43 2gtj n THR 79 N 5.42 -0.29 0.45 3.79 -2.24 -1.26 0.29 114.28 120.44 2gtj n THR 79 Ca 0.13 1.58 0.12 0.00 -2.27 0.00 0.00 64.05 63.60 2gtj n THR 79 Cb 0.45 -2.57 0.47 0.00 -2.10 0.00 0.00 70.33 66.58 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 -4.64 0.79 0.90 4.28 5.66 -1.26 -2.70 114.28 117.30 2gtj n THR 80 Ca 0.31 0.15 0.13 0.00 -3.05 0.00 0.00 64.05 61.59 2gtj n THR 80 Cb 1.13 -1.04 0.43 0.00 -1.55 0.00 0.00 70.33 69.29 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 -1.75 2.76 -2.39 1.79 0.00 0.14 -4.83 120.51 116.24 2gtj n ALA 81 Ca 0.03 -0.18 -0.19 0.00 0.00 0.00 0.00 53.44 53.09 2gtj n ALA 81 Cb 0.26 -1.33 -0.10 0.00 0.00 0.00 0.00 19.45 18.27 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 -3.03 1.16 -0.20 0.00 -7.23 -1.10 -0.38 120.40 109.62 2gtj s VAL 82 Ca 0.12 -2.03 -0.01 0.00 -1.81 0.00 0.00 61.98 58.24 2gtj s VAL 82 Cb 0.17 -2.55 0.06 0.00 0.56 0.00 0.00 36.38 34.62 2gtj s VAL 82 CO 0.61 -0.18 0.00 -1.61 -0.31 0.00 0.00 175.10 173.62 2gtj s GLU 83 N -3.86 1.02 0.67 4.82 2.02 0.21 -4.73 118.70 118.84 2gtj s GLU 83 Ca 0.32 -0.60 -0.11 0.00 0.02 0.00 0.00 54.97 54.60 2gtj s GLU 83 Cb 0.07 -2.24 -0.00 0.00 0.10 0.00 0.00 34.13 32.05 2gtj s GLU 83 CO 0.12 -0.61 1.05 0.96 0.02 0.00 0.00 175.26 176.81 2gtj s ILE 84 N 1.70 4.12 -0.60 -1.63 -4.36 -1.26 0.31 121.20 119.48 2gtj s ILE 84 Ca -0.02 0.72 -0.22 0.00 -0.26 0.00 0.00 60.65 60.87 2gtj s ILE 84 Cb -0.17 -3.47 0.07 0.00 1.25 0.00 0.00 42.46 40.13 2gtj s ILE 84 CO -0.07 -0.87 0.85 -0.62 0.24 0.00 0.00 174.94 174.46 2gtj s ASP 85 N -3.76 6.22 0.68 4.36 2.15 0.29 -4.83 116.67 121.77 2gtj s ASP 85 Ca 0.58 -0.94 -0.06 0.00 0.43 0.00 0.00 52.55 52.56 2gtj s ASP 85 Cb -0.14 -2.38 0.05 0.00 -0.30 0.00 0.00 42.92 40.16 2gtj s ASP 85 CO 0.53 -1.24 0.98 -0.31 -0.17 0.00 0.00 175.17 174.97 2gtj s TYR 86 N 3.51 2.95 -0.90 -5.34 2.02 -1.26 -4.64 117.35 113.68 2gtj s TYR 86 Ca 0.20 0.43 -0.11 0.00 -0.37 0.00 0.00 57.07 57.23 2gtj s TYR 86 Cb -0.18 -3.11 0.23 0.00 -0.40 0.00 0.00 41.96 38.50 2gtj s TYR 86 CO 0.11 -1.30 0.84 0.34 -1.57 0.00 0.00 175.55 173.97 2gtj s ASP 87 N -4.49 6.73 0.00 2.29 2.15 -1.26 -4.81 116.67 117.28 2gtj s ASP 87 Ca 0.59 -3.06 0.24 0.00 0.43 0.00 0.00 52.55 50.75 2gtj s ASP 87 Cb -0.11 -2.15 0.30 0.00 -0.30 0.00 0.00 42.92 40.66 2gtj s ASP 87 CO 0.44 -0.44 1.29 -1.20 -0.17 0.00 0.00 175.17 175.10 2gtj n SER 88 N 3.42 1.90 0.00 -0.34 7.64 -1.26 -4.98 113.62 119.99 2gtj n SER 88 Ca 0.17 -1.44 0.00 0.00 1.01 0.00 0.00 58.87 58.61 2gtj n SER 88 Cb 0.43 0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.91 2gtj n SER 88 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2gtj n LEU 89 N 0.06 0.00 -1.39 -3.43 4.32 -1.26 -4.59 117.00 110.71 2gtj n LEU 89 Ca 0.12 0.00 -0.15 0.00 -0.02 0.00 0.00 56.01 55.95 2gtj n LEU 89 Cb 0.45 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.21 2gtj n LEU 89 CO 0.25 0.00 -0.16 0.29 -1.22 0.00 0.00 177.39 176.54 2gtj n LYS 90 N 0.00 -1.11 -3.95 3.23 5.02 -1.26 -4.97 118.16 115.11 2gtj n LYS 90 Ca 0.00 0.91 -0.29 0.00 -2.02 0.00 0.00 58.31 56.90 2gtj n LYS 90 Cb 0.00 -5.13 -0.16 0.00 -0.02 0.00 0.00 35.03 29.72 2gtj n LYS 90 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2gtj s LEU 91 N -3.81 1.96 -1.29 -0.35 2.96 -1.26 -5.05 118.68 111.84 2gtj s LEU 91 Ca 0.00 -0.77 -0.18 0.00 -0.22 0.00 0.00 54.13 52.96 2gtj s LEU 91 Cb 0.00 -1.09 0.06 0.00 0.50 0.00 0.00 46.19 45.66 2gtj s LEU 91 CO 0.00 -0.16 1.76 0.29 -1.32 0.00 0.00 176.35 176.92 2gtj n LYS 92 N 4.77 3.10 -3.12 1.98 5.02 -1.26 -4.57 118.16 124.08 2gtj n LYS 92 Ca -0.14 -3.22 -0.15 0.00 -2.02 0.00 0.00 58.31 52.78 2gtj n LYS 92 Cb 0.47 -3.51 -0.05 0.00 -0.02 0.00 0.00 35.03 31.92 2gtj n LYS 92 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2gtj s LYS 93 N 4.35 0.93 0.30 1.97 2.20 -1.26 -5.15 119.74 123.07 2gtj s LYS 93 Ca 0.55 -1.39 0.03 0.00 -0.36 0.00 0.00 55.97 54.80 2gtj s LYS 93 Cb 0.04 -0.67 0.03 0.00 -1.51 0.00 0.00 37.83 35.72 2gtj s LYS 93 CO 0.08 -1.32 0.28 -0.40 -0.36 0.00 0.00 175.35 173.63 2gtj n ASP 94 N 3.19 1.69 -4.56 1.43 5.75 -1.26 -5.02 116.55 117.77 2gtj n ASP 94 Ca 0.21 -1.95 -0.39 0.00 -0.01 0.00 0.00 54.79 52.65 2gtj n ASP 94 Cb 0.51 -0.08 -0.03 0.00 -1.03 0.00 0.00 41.12 40.49 2gtj n ASP 94 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2gtj s LEU 95 N 0.00 3.33 0.00 -2.12 1.43 -1.26 -5.28 118.68 114.78 2gtj s LEU 95 Ca 0.21 0.50 0.22 0.00 -1.03 0.00 0.00 54.13 54.04 2gtj s LEU 95 Cb -0.02 -2.70 1.33 0.00 0.03 0.00 0.00 46.19 44.83 2gtj s LEU 95 CO 0.13 -2.26 1.71 -0.62 0.23 0.00 0.00 176.35 175.54