#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gjx s LEU 2 N 0.00 0.08 0.11 0.00 1.02 -1.26 -4.57 118.68 114.07 1gjx s LEU 2 Ca 0.00 1.15 0.02 0.00 0.02 0.00 0.00 54.13 55.33 1gjx s LEU 2 Cb 0.00 -2.87 -0.04 0.00 0.02 0.00 0.00 46.19 43.30 1gjx s LEU 2 CO 0.00 -4.60 -0.07 -0.69 0.02 0.00 0.00 176.35 171.01 1gjx s VAL 3 N -2.47 0.81 -0.27 -1.59 1.01 -1.13 -4.94 120.40 111.82 1gjx s VAL 3 Ca 0.68 -1.97 -0.02 0.00 0.00 0.00 0.00 61.98 60.68 1gjx s VAL 3 Cb -0.19 -1.75 0.08 0.00 0.00 0.00 0.00 36.38 34.52 1gjx s VAL 3 CO 0.61 -0.82 0.07 -1.61 0.00 0.00 0.00 175.10 173.35 1gjx s GLU 4 N -3.82 0.71 0.88 2.72 8.01 -1.26 -2.07 118.70 123.88 1gjx s GLU 4 Ca 0.14 -0.81 -0.11 0.00 0.01 0.00 0.00 54.97 54.20 1gjx s GLU 4 Cb 0.05 -2.01 0.13 0.00 -4.31 0.00 0.00 34.13 27.99 1gjx s GLU 4 CO -0.03 -0.85 1.16 -0.51 0.01 0.00 0.00 175.26 175.04 1gjx s LEU 5 N 1.72 2.93 -0.06 1.80 2.01 0.48 -4.92 118.68 122.64 1gjx s LEU 5 Ca 0.05 2.21 -0.12 0.00 0.01 0.00 0.00 54.13 56.28 1gjx s LEU 5 Cb -0.17 -4.57 0.02 0.00 0.01 0.00 0.00 46.19 41.48 1gjx s LEU 5 CO -0.19 -2.95 0.30 -0.54 1.01 0.00 0.00 176.35 173.97 1gjx s LYS 6 N -4.54 0.50 0.28 1.70 1.02 -1.26 -2.37 119.74 115.07 1gjx s LYS 6 Ca 0.68 0.10 -0.28 0.00 0.02 0.00 0.00 55.97 56.49 1gjx s LYS 6 Cb -0.24 0.23 -0.14 0.00 -0.52 0.00 0.00 37.83 37.16 1gjx s LYS 6 CO 0.56 -0.11 0.89 0.28 -0.92 0.00 0.00 175.35 176.05 1gjx n VAL 7 N 2.10 2.00 -0.82 3.17 0.31 -1.26 -4.72 118.33 119.10 1gjx n VAL 7 Ca -0.17 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.66 1gjx n VAL 7 Cb 0.57 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.72 1gjx n VAL 7 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1gjx n PRO 8 N 0.75 -0.27 -2.64 5.55 -0.04 -1.26 -3.62 135.00 133.46 1gjx n PRO 8 Ca 0.11 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.15 1gjx n PRO 8 Cb 0.31 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.76 1gjx n PRO 8 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1gjx s ASP 9 N -1.15 6.73 -0.99 3.54 1.01 -1.26 -4.50 116.67 120.05 1gjx s ASP 9 Ca 0.00 -2.12 -0.01 0.00 0.71 0.00 0.00 52.55 51.13 1gjx s ASP 9 Cb 0.00 -2.54 0.31 0.00 1.01 0.00 0.00 42.92 41.70 1gjx s ASP 9 CO 0.00 -1.24 1.47 2.30 0.21 0.00 0.00 175.17 177.91 1gjx n ILE 10 N 6.31 5.11 -0.55 0.77 -6.64 -1.26 -4.54 119.36 118.55 1gjx n ILE 10 Ca 0.40 -5.86 0.00 0.00 -1.77 0.00 0.00 62.75 55.52 1gjx n ILE 10 Cb 0.48 -1.89 0.00 0.00 -1.44 0.00 0.00 39.64 36.79 1gjx n ILE 10 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1gjx n GLY 11 N 0.77 0.72 2.56 3.28 0.00 -1.26 -4.01 105.19 107.24 1gjx n GLY 11 Ca 0.33 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 46.12 1gjx n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gjx n GLY 12 N -2.55 1.35 2.16 -0.02 0.00 -1.26 -4.93 105.19 99.94 1gjx n GLY 12 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1gjx n GLY 12 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1gjx n HIS 13 N -2.13 0.52 -3.49 1.61 -0.00 -1.26 -5.06 115.22 105.41 1gjx n HIS 13 Ca -0.14 -1.55 -0.23 0.00 -0.00 0.00 0.00 57.72 55.81 1gjx n HIS 13 Cb 0.58 -0.14 0.01 0.00 -0.00 0.00 0.00 29.99 30.44 1gjx n HIS 13 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1gjx s GLU 14 N -3.06 2.35 -0.07 -1.40 8.01 -1.26 -3.83 118.70 119.44 1gjx s GLU 14 Ca 0.04 -1.77 -0.02 0.00 0.01 0.00 0.00 54.97 53.23 1gjx s GLU 14 Cb 0.00 -2.37 0.01 0.00 -4.31 0.00 0.00 34.13 27.46 1gjx s GLU 14 CO 0.03 -0.61 0.04 0.27 0.01 0.00 0.00 175.26 174.99 1gjx n ASN 15 N -1.90 -6.30 -2.54 -0.19 6.94 0.19 -4.90 115.26 106.57 1gjx n ASN 15 Ca 0.06 0.88 -0.13 0.00 -0.02 0.00 0.00 54.58 55.37 1gjx n ASN 15 Cb 0.63 -2.57 -0.04 0.00 -2.36 0.00 0.00 39.78 35.43 1gjx n ASN 15 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1gjx n VAL 16 N 1.73 0.00 -4.05 3.53 0.24 0.43 -4.82 118.33 115.39 1gjx n VAL 16 Ca -0.06 -1.42 -0.34 0.00 -2.04 0.00 0.00 64.34 60.48 1gjx n VAL 16 Cb 0.27 0.63 -0.15 0.00 -1.47 0.00 0.00 33.84 33.12 1gjx n VAL 16 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1gjx s ASP 17 N -2.41 3.66 0.78 -1.34 1.11 -1.23 -1.65 116.67 115.59 1gjx s ASP 17 Ca 0.19 -0.53 -0.11 0.00 0.18 0.00 0.00 52.55 52.28 1gjx s ASP 17 Cb 0.01 -1.60 0.07 0.00 1.07 0.00 0.00 42.92 42.47 1gjx s ASP 17 CO 0.13 -0.00 1.10 -0.63 1.18 0.00 0.00 175.17 176.95 1gjx s ILE 18 N 1.34 3.10 0.00 0.77 1.01 -1.20 -3.30 121.20 122.92 1gjx s ILE 18 Ca 0.05 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.07 1gjx s ILE 18 Cb -0.14 -2.79 0.00 0.00 0.01 0.00 0.00 42.46 39.54 1gjx s ILE 18 CO -0.08 -0.45 0.00 2.30 0.00 0.00 0.00 174.94 176.71 1gjx n ILE 19 N -3.53 0.00 -3.77 2.92 -5.35 -1.26 -3.27 119.36 105.10 1gjx n ILE 19 Ca 0.10 -0.14 -0.13 0.00 -0.27 0.00 0.00 62.75 62.30 1gjx n ILE 19 Cb 0.53 0.62 -0.09 0.00 -1.74 0.00 0.00 39.64 38.96 1gjx n ILE 19 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gjx s ALA 20 N -1.09 -0.72 -0.03 -1.28 0.00 -1.26 -4.82 121.76 112.56 1gjx s ALA 20 Ca 0.00 0.24 -0.01 0.00 0.00 0.00 0.00 51.96 52.18 1gjx s ALA 20 Cb 0.00 0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.26 1gjx s ALA 20 CO 0.00 -0.27 0.05 0.54 0.00 0.00 0.00 175.76 176.09 1gjx s VAL 21 N -1.46 -0.09 -0.17 0.00 0.11 -1.26 -3.93 120.40 113.60 1gjx s VAL 21 Ca -0.13 0.34 0.18 0.00 -2.93 0.00 0.00 61.98 59.44 1gjx s VAL 21 Cb -0.05 -0.13 0.46 0.00 -1.53 0.00 0.00 36.38 35.13 1gjx s VAL 21 CO 0.03 0.14 1.17 -0.62 -3.33 0.00 0.00 175.10 172.49 1gjx n GLU 22 N 4.84 1.50 -3.80 1.54 -0.58 0.13 -4.96 120.64 119.30 1gjx n GLU 22 Ca -0.14 -3.11 -0.26 0.00 -0.42 0.00 0.00 57.16 53.24 1gjx n GLU 22 Cb 0.50 -1.22 -0.17 0.00 -0.57 0.00 0.00 31.44 29.98 1gjx n GLU 22 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1gjx s VAL 23 N -2.61 0.68 -0.34 2.62 -7.23 -1.26 -4.88 120.40 107.37 1gjx s VAL 23 Ca 0.36 -0.36 0.12 0.00 -1.81 0.00 0.00 61.98 60.29 1gjx s VAL 23 Cb 0.37 -0.96 0.30 0.00 0.56 0.00 0.00 36.38 36.65 1gjx s VAL 23 CO -0.07 0.07 1.23 -3.20 -0.31 0.00 0.00 175.10 172.81 1gjx n ASN 24 N 5.02 2.88 -2.01 4.85 5.15 -1.26 -5.02 115.26 124.87 1gjx n ASN 24 Ca -0.09 -2.52 0.00 0.00 -0.60 0.00 0.00 54.58 51.37 1gjx n ASN 24 Cb 0.48 -0.31 0.00 0.00 -0.53 0.00 0.00 39.78 39.42 1gjx n ASN 24 CO 0.00 0.00 0.00 0.55 1.40 0.00 0.00 177.26 179.21 1gjx n VAL 25 N -0.40-12.76 -0.66 3.44 3.14 -1.26 -4.80 118.33 105.03 1gjx n VAL 25 Ca 0.13 3.15 0.00 0.00 -2.96 0.00 0.00 64.34 64.65 1gjx n VAL 25 Cb 0.57 -5.42 0.00 0.00 -1.06 0.00 0.00 33.84 27.93 1gjx n VAL 25 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1gjx n GLY 26 N 1.75 0.86 3.70 7.55 0.00 0.25 -4.93 105.19 114.38 1gjx n GLY 26 Ca 0.00 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 1gjx n GLY 26 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1gjx s ASP 27 N -2.49 5.15 0.24 1.61 2.15 -1.26 -4.78 116.67 117.28 1gjx s ASP 27 Ca 0.00 -0.08 -0.30 0.00 0.43 0.00 0.00 52.55 52.60 1gjx s ASP 27 Cb 0.00 -1.30 -0.09 0.00 -0.30 0.00 0.00 42.92 41.23 1gjx s ASP 27 CO 0.00 0.21 1.29 -0.89 -0.17 0.00 0.00 175.17 175.61 1gjx s THR 28 N -1.24 3.12 0.21 1.71 2.01 -1.26 -1.93 115.64 118.25 1gjx s THR 28 Ca 0.24 0.98 0.07 0.00 0.31 0.00 0.00 61.69 63.30 1gjx s THR 28 Cb -0.12 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.72 1gjx s THR 28 CO 0.16 0.18 -0.14 0.27 -0.69 0.00 0.00 174.62 174.40 1gjx s ILE 29 N -0.29 1.69 0.26 1.82 -4.36 0.45 -4.95 121.20 115.82 1gjx s ILE 29 Ca 0.54 -2.20 0.03 0.00 -0.26 0.00 0.00 60.65 58.76 1gjx s ILE 29 Cb -0.37 -2.06 -0.01 0.00 1.25 0.00 0.00 42.46 41.27 1gjx s ILE 29 CO 0.42 -0.59 0.11 0.00 0.24 0.00 0.00 174.94 175.12 1gjx n ALA 30 N -0.38 0.39 -1.05 2.27 0.00 -1.22 -1.18 120.51 119.34 1gjx n ALA 30 Ca -0.08 -1.33 -0.21 0.00 0.00 0.00 0.00 53.44 51.82 1gjx n ALA 30 Cb 0.61 0.93 0.03 0.00 0.00 0.00 0.00 19.45 21.02 1gjx n ALA 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1gjx n VAL 31 N -0.57 3.00 0.00 0.00 0.31 -1.25 -3.07 118.33 116.75 1gjx n VAL 31 Ca -0.02 -2.05 0.00 0.00 -0.01 0.00 0.00 64.34 62.25 1gjx n VAL 31 Cb 0.40 -1.34 0.00 0.00 -0.91 0.00 0.00 33.84 31.99 1gjx n VAL 31 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1gjx n ASP 32 N 0.18 0.00 -3.67 4.52 5.68 -1.16 -4.71 116.55 117.40 1gjx n ASP 32 Ca 0.38 0.00 -0.15 0.00 -0.50 0.00 0.00 54.79 54.52 1gjx n ASP 32 Cb 0.58 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.42 1gjx n ASP 32 CO 0.00 0.00 0.00 1.51 -1.33 0.00 0.00 177.20 177.38 1gjx s ASP 33 N 0.00 0.48 -0.16 -1.12 1.47 0.42 -4.93 116.67 112.83 1gjx s ASP 33 Ca 0.00 0.50 -0.34 0.00 1.18 0.00 0.00 52.55 53.89 1gjx s ASP 33 Cb 0.00 0.54 -0.11 0.00 -0.34 0.00 0.00 42.92 43.01 1gjx s ASP 33 CO 0.00 -0.24 1.97 0.35 0.68 0.00 0.00 175.17 177.93 1gjx n THR 34 N 5.31 0.47 -0.03 2.11 -2.24 -1.25 -1.49 114.28 117.15 1gjx n THR 34 Ca -0.06 -0.17 -0.16 0.00 -2.27 0.00 0.00 64.05 61.38 1gjx n THR 34 Cb 0.50 -1.89 -0.14 0.00 -2.10 0.00 0.00 70.33 66.70 1gjx n THR 34 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1gjx n LEU 35 N 7.77 1.97 0.00 3.22 4.77 0.41 -4.77 117.00 130.36 1gjx n LEU 35 Ca 0.27 0.19 -0.06 0.00 -0.03 0.00 0.00 56.01 56.39 1gjx n LEU 35 Cb 0.29 -0.59 0.02 0.00 -2.33 0.00 0.00 43.42 40.81 1gjx n LEU 35 CO 0.73 0.71 0.32 2.30 -1.33 0.00 0.00 177.39 180.12 1gjx n ILE 36 N -3.26 0.00 -2.72 -0.08 -0.00 -1.24 0.20 119.36 112.26 1gjx n ILE 36 Ca -0.30 -0.67 -0.05 0.00 -0.00 0.00 0.00 62.75 61.73 1gjx n ILE 36 Cb 1.05 0.64 0.06 0.00 -0.00 0.00 0.00 39.64 41.39 1gjx n ILE 36 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.55 176.96 1gjx n THR 37 N -0.34 0.86 -0.98 7.28 -1.04 -1.25 -2.61 114.28 116.18 1gjx n THR 37 Ca -0.05 -2.61 -0.37 0.00 -2.04 0.00 0.00 64.05 58.98 1gjx n THR 37 Cb 0.38 0.95 0.03 0.00 -1.82 0.00 0.00 70.33 69.88 1gjx n THR 37 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1gjx n LEU 38 N -0.45 -4.26 -3.61 -4.42 4.32 0.45 -4.13 117.00 104.89 1gjx n LEU 38 Ca 0.04 0.08 -0.02 0.00 -0.02 0.00 0.00 56.01 56.09 1gjx n LEU 38 Cb 0.82 -0.60 -0.01 0.00 -1.62 0.00 0.00 43.42 42.01 1gjx n LEU 38 CO 0.12 -3.98 1.00 -0.70 -1.22 0.00 0.00 177.39 172.61 1gjx s GLU 39 N -1.97 0.41 0.00 3.23 2.12 -1.21 0.16 118.70 121.44 1gjx s GLU 39 Ca 0.37 -0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.51 1gjx s GLU 39 Cb -0.02 0.16 0.00 0.00 0.26 0.00 0.00 34.13 34.54 1gjx s GLU 39 CO 0.72 -0.18 0.00 0.25 -0.54 0.00 0.00 175.26 175.51 1gjx n THR 40 N -0.28 0.00 0.27 -1.70 -2.24 0.33 -3.53 114.28 107.13 1gjx n THR 40 Ca -0.04 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.89 1gjx n THR 40 Cb 0.60 0.00 0.75 0.00 -2.10 0.00 0.00 70.33 69.58 1gjx n THR 40 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1gjx h ASP 41 N 0.00 0.00 0.00 3.42 3.58 -1.96 -3.35 116.42 118.11 1gjx h ASP 41 Ca 0.00 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.24 1gjx h ASP 41 Cb 0.00 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 40.91 1gjx h ASP 41 CO 0.00 0.09 -0.31 1.17 -2.88 0.00 0.00 179.24 177.32 1gjx n LYS 42 N -3.40 0.96 -3.16 0.28 3.00 -1.26 -5.10 118.16 109.47 1gjx n LYS 42 Ca -0.01 -1.68 0.05 0.00 -0.00 0.00 0.00 58.31 56.67 1gjx n LYS 42 Cb 0.26 -0.44 -0.03 0.00 0.00 0.00 0.00 35.03 34.82 1gjx n LYS 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1gjx s ALA 43 N 0.20 -3.71 -0.07 3.14 0.00 -1.26 -5.03 121.76 115.04 1gjx s ALA 43 Ca 0.20 1.44 -0.07 0.00 0.00 0.00 0.00 51.96 53.53 1gjx s ALA 43 Cb 0.32 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 1gjx s ALA 43 CO -0.08 -1.33 0.20 0.95 0.00 0.00 0.00 175.76 175.49 1gjx s THR 44 N 2.69 5.41 -0.06 0.00 -4.23 -1.26 0.12 115.64 118.31 1gjx s THR 44 Ca -0.07 0.21 -0.03 0.00 -1.18 0.00 0.00 61.69 60.62 1gjx s THR 44 Cb -0.06 -3.48 0.03 0.00 1.34 0.00 0.00 72.50 70.33 1gjx s THR 44 CO -0.10 0.52 0.14 -0.32 -0.54 0.00 0.00 174.62 174.32 1gjx s MET 45 N -1.31 0.09 0.45 3.99 1.75 0.43 -4.90 119.30 119.80 1gjx s MET 45 Ca 0.20 0.34 0.04 0.00 -1.25 0.00 0.00 55.69 55.02 1gjx s MET 45 Cb -0.13 -0.15 -0.05 0.00 2.84 0.00 0.00 34.83 37.34 1gjx s MET 45 CO 0.09 -0.15 0.01 0.16 -0.65 0.00 0.00 175.02 174.49 1gjx s ASP 46 N 1.02 3.92 -0.12 1.11 1.47 -1.26 0.17 116.67 122.98 1gjx s ASP 46 Ca -0.08 -1.49 -0.04 0.00 1.18 0.00 0.00 52.55 52.12 1gjx s ASP 46 Cb -0.10 0.00 0.06 0.00 -0.34 0.00 0.00 42.92 42.54 1gjx s ASP 46 CO -0.05 -0.63 0.17 -0.69 0.68 0.00 0.00 175.17 174.66 1gjx s VAL 47 N -2.80 -0.27 -0.33 2.11 1.01 -1.07 -4.90 120.40 114.15 1gjx s VAL 47 Ca 0.23 0.20 -0.00 0.00 0.00 0.00 0.00 61.98 62.40 1gjx s VAL 47 Cb 0.06 -0.42 0.28 0.00 0.00 0.00 0.00 36.38 36.31 1gjx s VAL 47 CO 0.12 0.03 1.86 -0.81 0.00 0.00 0.00 175.10 176.29 1gjx n PRO 48 N 5.32 1.85 -1.38 2.72 -0.04 -1.26 0.15 135.00 142.36 1gjx n PRO 48 Ca -0.05 -1.75 0.16 0.00 -0.04 0.00 0.00 63.50 61.82 1gjx n PRO 48 Cb 0.50 -1.69 -0.09 0.00 -0.04 0.00 0.00 33.50 32.18 1gjx n PRO 48 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gjx n ALA 49 N -0.01 -3.62 -2.66 0.55 0.00 -0.56 0.16 120.51 114.38 1gjx n ALA 49 Ca 0.34 0.85 0.01 0.00 0.00 0.00 0.00 53.44 54.65 1gjx n ALA 49 Cb 0.76 -1.51 0.04 0.00 0.00 0.00 0.00 19.45 18.75 1gjx n ALA 49 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1gjx n GLU 50 N -4.25 1.02 0.00 0.00 1.02 -1.26 -4.21 120.64 112.95 1gjx n GLU 50 Ca -0.08 -2.87 0.00 0.00 -0.02 0.00 0.00 57.16 54.19 1gjx n GLU 50 Cb 0.64 -0.93 0.00 0.00 -0.02 0.00 0.00 31.44 31.13 1gjx n GLU 50 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1gjx n VAL 51 N -0.13 0.00 -1.08 2.62 3.14 -1.17 -4.94 118.33 116.77 1gjx n VAL 51 Ca 0.07 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 1gjx n VAL 51 Cb 0.95 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.73 1gjx n VAL 51 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1gjx n ALA 52 N -0.74 0.00 0.00 1.55 0.00 -1.22 -3.42 120.51 116.68 1gjx n ALA 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1gjx n ALA 52 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1gjx n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gjx n GLY 53 N 5.00 -0.32 2.88 0.00 0.00 -0.32 -3.25 105.19 109.17 1gjx n GLY 53 Ca 0.00 -2.11 -0.17 0.00 0.00 0.00 0.00 46.02 43.74 1gjx n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gjx s VAL 54 N 0.00 0.31 0.45 1.61 1.01 -1.26 0.17 120.40 122.69 1gjx s VAL 54 Ca 0.00 -0.06 -0.24 0.00 0.00 0.00 0.00 61.98 61.68 1gjx s VAL 54 Cb 0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 36.38 35.98 1gjx s VAL 54 CO 0.00 0.14 1.21 -0.69 0.00 0.00 0.00 175.10 175.75 1gjx s VAL 55 N 0.53 2.94 -0.02 2.92 1.01 -0.81 0.34 120.40 127.30 1gjx s VAL 55 Ca -0.06 0.74 -0.00 0.00 0.00 0.00 0.00 61.98 62.66 1gjx s VAL 55 Cb -0.09 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 1gjx s VAL 55 CO -0.01 0.02 -0.03 0.29 0.00 0.00 0.00 175.10 175.38 1gjx n LYS 56 N -0.34 0.05 -4.02 2.72 4.76 0.46 0.88 118.16 122.67 1gjx n LYS 56 Ca 0.06 0.02 -0.26 0.00 -2.87 0.00 0.00 58.31 55.26 1gjx n LYS 56 Cb 0.47 -0.84 -0.04 0.00 -1.84 0.00 0.00 35.03 32.78 1gjx n LYS 56 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1gjx s GLU 57 N -2.05 2.28 -0.29 1.97 0.41 -1.14 -4.69 118.70 115.18 1gjx s GLU 57 Ca -0.03 -1.94 -0.23 0.00 -0.41 0.00 0.00 54.97 52.36 1gjx s GLU 57 Cb 0.01 -2.04 0.16 0.00 -1.78 0.00 0.00 34.13 30.49 1gjx s GLU 57 CO 0.05 -0.37 1.23 0.54 -0.49 0.00 0.00 175.26 176.21 1gjx s VAL 58 N -2.69 0.00 -0.38 2.63 0.11 -1.25 -3.33 120.40 115.50 1gjx s VAL 58 Ca 0.35 0.00 0.12 0.00 -2.93 0.00 0.00 61.98 59.52 1gjx s VAL 58 Cb 0.00 -1.00 0.41 0.00 -1.53 0.00 0.00 36.38 34.26 1gjx s VAL 58 CO 0.20 0.00 1.20 0.29 -3.33 0.00 0.00 175.10 173.46 1gjx n LYS 59 N 2.20 1.16 -3.74 1.54 4.01 -0.76 -4.96 118.16 117.61 1gjx n LYS 59 Ca -0.13 -2.32 -0.10 0.00 -0.51 0.00 0.00 58.31 55.25 1gjx n LYS 59 Cb 0.57 -0.53 -0.04 0.00 -0.51 0.00 0.00 35.03 34.51 1gjx n LYS 59 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 1gjx s VAL 60 N -0.91 0.03 -0.23 -0.18 -7.23 -1.26 -4.84 120.40 105.78 1gjx s VAL 60 Ca 0.24 -0.79 -0.28 0.00 -1.81 0.00 0.00 61.98 59.35 1gjx s VAL 60 Cb 0.41 -1.56 0.14 0.00 0.56 0.00 0.00 36.38 35.93 1gjx s VAL 60 CO -0.05 -0.14 1.10 -0.75 -0.31 0.00 0.00 175.10 174.95 1gjx s LYS 61 N -3.87 0.45 -0.85 4.82 2.47 -1.26 -5.03 119.74 116.47 1gjx s LYS 61 Ca 0.09 0.27 -0.22 0.00 -1.56 0.00 0.00 55.97 54.54 1gjx s LYS 61 Cb -0.01 0.21 -0.18 0.00 -1.46 0.00 0.00 37.83 36.39 1gjx s LYS 61 CO -0.03 -0.11 2.18 1.55 0.16 0.00 0.00 175.35 179.10 1gjx n VAL 62 N 1.26 0.00 0.00 4.02 3.14 -1.26 -3.03 118.33 122.46 1gjx n VAL 62 Ca -0.10 -0.34 0.00 0.00 -2.96 0.00 0.00 64.34 60.94 1gjx n VAL 62 Cb 0.57 -1.60 0.00 0.00 -1.06 0.00 0.00 33.84 31.75 1gjx n VAL 62 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1gjx n GLY 63 N 6.27 0.34 3.63 7.55 0.00 -1.20 -4.90 105.19 116.87 1gjx n GLY 63 Ca 0.44 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 1gjx n GLY 63 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1gjx s ASP 64 N 0.00 0.52 -0.38 1.61 1.47 -1.17 -4.93 116.67 113.79 1gjx s ASP 64 Ca 0.00 -1.33 -0.18 0.00 1.18 0.00 0.00 52.55 52.22 1gjx s ASP 64 Cb 0.00 0.75 0.01 0.00 -0.34 0.00 0.00 42.92 43.33 1gjx s ASP 64 CO 0.00 -1.47 0.49 -0.54 0.68 0.00 0.00 175.17 174.32 1gjx s LYS 65 N -2.73 3.42 0.29 2.11 3.01 -1.24 -3.25 119.74 121.33 1gjx s LYS 65 Ca 0.24 -0.40 0.06 0.00 -1.01 0.00 0.00 55.97 54.86 1gjx s LYS 65 Cb -0.03 -3.87 -0.06 0.00 -1.01 0.00 0.00 37.83 32.86 1gjx s LYS 65 CO 0.16 -0.73 -0.04 -1.50 0.51 0.00 0.00 175.35 173.75 1gjx s ILE 66 N 2.32 1.58 -0.09 2.17 1.10 -0.66 -4.79 121.20 122.84 1gjx s ILE 66 Ca 0.16 -2.10 -0.10 0.00 -0.51 0.00 0.00 60.65 58.10 1gjx s ILE 66 Cb -0.16 -2.50 0.02 0.00 0.15 0.00 0.00 42.46 39.98 1gjx s ILE 66 CO 0.14 -0.26 0.27 -0.94 -2.11 0.00 0.00 174.94 172.04 1gjx s SER 67 N -3.45 -0.26 -0.50 4.50 1.04 -1.26 0.16 113.70 113.93 1gjx s SER 67 Ca 0.30 0.48 -0.41 0.00 0.48 0.00 0.00 55.95 56.81 1gjx s SER 67 Cb 0.04 0.52 -0.17 0.00 0.10 0.00 0.00 66.02 66.52 1gjx s SER 67 CO 0.12 -0.13 2.20 -0.62 0.98 0.00 0.00 173.24 175.79 1gjx n GLU 68 N 2.76 0.29 -1.21 4.02 1.02 -1.25 -2.76 120.64 123.50 1gjx n GLU 68 Ca -0.14 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1gjx n GLU 68 Cb 0.58 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 1gjx n GLU 68 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1gjx n GLY 69 N 7.17 -0.10 0.01 0.62 0.00 -1.24 -4.86 105.19 106.79 1gjx n GLY 69 Ca 0.52 -0.30 0.01 0.00 0.00 0.00 0.00 46.02 46.25 1gjx n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gjx n GLY 70 N -0.79 2.50 3.40 -0.02 0.00 -1.11 -4.89 105.19 104.27 1gjx n GLY 70 Ca 0.00 -0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 1gjx n GLY 70 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1gjx n LEU 71 N -0.51 -3.89 0.00 0.99 7.94 -1.24 -4.96 117.00 115.32 1gjx n LEU 71 Ca 0.01 -0.59 0.00 0.00 -1.11 0.00 0.00 56.01 54.32 1gjx n LEU 71 Cb 0.31 -3.05 0.00 0.00 0.53 0.00 0.00 43.42 41.21 1gjx n LEU 71 CO 0.00 0.41 0.16 -0.38 -1.11 0.00 0.00 177.39 176.47 1gjx n ILE 72 N -4.19 0.00 -4.42 1.96 5.41 -1.00 -4.69 119.36 112.43 1gjx n ILE 72 Ca -0.24 0.82 -0.24 0.00 1.00 0.00 0.00 62.75 64.09 1gjx n ILE 72 Cb 0.65 -1.49 -0.10 0.00 -0.71 0.00 0.00 39.64 37.99 1gjx n ILE 72 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 1gjx s VAL 73 N -0.64 2.69 -0.00 1.39 -7.23 -1.26 -1.83 120.40 113.52 1gjx s VAL 73 Ca 0.00 -2.24 0.04 0.00 -1.81 0.00 0.00 61.98 57.97 1gjx s VAL 73 Cb 0.00 -2.40 -0.01 0.00 0.56 0.00 0.00 36.38 34.53 1gjx s VAL 73 CO 0.00 -0.35 -0.11 -0.69 -0.31 0.00 0.00 175.10 173.63 1gjx s VAL 74 N -2.35 0.90 0.44 1.32 1.01 -1.21 0.18 120.40 120.69 1gjx s VAL 74 Ca 0.29 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.71 1gjx s VAL 74 Cb -0.06 -0.77 -0.00 0.00 0.00 0.00 0.00 36.38 35.55 1gjx s VAL 74 CO 0.15 0.20 0.02 1.33 0.00 0.00 0.00 175.10 176.80 1gjx n VAL 75 N 2.64 0.00 -0.04 2.92 0.24 -0.88 0.17 118.33 123.39 1gjx n VAL 75 Ca -0.15 -2.13 -0.04 0.00 -2.04 0.00 0.00 64.34 59.99 1gjx n VAL 75 Cb 0.56 0.49 -0.14 0.00 -1.47 0.00 0.00 33.84 33.28 1gjx n VAL 75 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1gjx n GLU 76 N -1.07 0.66 -2.10 7.34 2.13 0.15 -2.84 120.64 124.92 1gjx n GLU 76 Ca -0.16 0.08 -0.01 0.00 0.66 0.00 0.00 57.16 57.73 1gjx n GLU 76 Cb 0.57 -1.65 -0.01 0.00 0.27 0.00 0.00 31.44 30.62 1gjx n GLU 76 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1gjx n ALA 77 N -2.55 -2.57 -3.93 4.31 0.00 -1.20 -3.98 120.51 110.59 1gjx n ALA 77 Ca -0.19 0.74 -0.32 0.00 0.00 0.00 0.00 53.44 53.67 1gjx n ALA 77 Cb 0.97 -1.74 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 1gjx n ALA 77 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1gjx n GLU 78 N 1.36 -3.34 0.00 0.00 2.13 -1.23 -4.27 120.64 115.29 1gjx n GLU 78 Ca -0.08 0.40 0.00 0.00 0.66 0.00 0.00 57.16 58.14 1gjx n GLU 78 Cb 0.12 -5.13 0.00 0.00 0.27 0.00 0.00 31.44 26.70 1gjx n GLU 78 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1gjx n GLY 79 N -1.32 0.30 0.04 8.31 0.00 -1.26 -0.81 105.19 110.46 1gjx n GLY 79 Ca 0.05 0.67 -0.01 0.00 0.00 0.00 0.00 46.02 46.73 1gjx n GLY 79 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1gjx n THR 80 N 0.00 0.51 1.67 2.61 5.66 -1.26 -4.83 114.28 118.64 1gjx n THR 80 Ca 0.00 -0.46 0.13 0.00 -3.05 0.00 0.00 64.05 60.68 1gjx n THR 80 Cb 0.00 -0.29 0.79 0.00 -1.55 0.00 0.00 70.33 69.28 1gjx n THR 80 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02