#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 2.99 0.25 0.00 1.43 -1.22 -4.26 118.68 117.88 1gjx s LEU 2 Ca 0.00 -0.13 0.07 0.00 -1.03 0.00 0.00 54.13 53.05 1gjx s LEU 2 Cb 0.00 -2.34 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 1gjx s LEU 2 CO 0.00 -1.76 -0.10 -0.69 0.23 0.00 0.00 176.35 174.03 1gjx s VAL 3 N -3.15 1.74 -0.47 -1.59 1.01 0.40 -4.91 120.40 113.43 1gjx s VAL 3 Ca 0.64 -2.18 0.03 0.00 0.00 0.00 0.00 61.98 60.48 1gjx s VAL 3 Cb -0.07 -2.30 0.13 0.00 0.00 0.00 0.00 36.38 34.14 1gjx s VAL 3 CO 0.44 -0.41 0.24 -1.61 0.00 0.00 0.00 175.10 173.76 1gjx s GLU 4 N -3.68 1.57 0.67 2.72 2.02 -1.26 -1.86 118.70 118.87 1gjx s GLU 4 Ca 0.27 -2.25 -0.17 0.00 0.02 0.00 0.00 54.97 52.85 1gjx s GLU 4 Cb 0.02 -2.76 -0.05 0.00 0.10 0.00 0.00 34.13 31.44 1gjx s GLU 4 CO 0.10 -1.13 0.64 -0.11 0.02 0.00 0.00 175.26 174.78 1gjx n LEU 5 N 3.40 1.55 -3.99 1.80 -0.00 0.46 -4.88 117.00 115.33 1gjx n LEU 5 Ca 0.07 0.67 -0.09 0.00 -0.00 0.00 0.00 56.01 56.66 1gjx n LEU 5 Cb 0.34 -1.25 -0.11 0.00 -0.00 0.00 0.00 43.42 42.40 1gjx n LEU 5 CO 0.28 -2.80 -0.36 -0.54 -0.00 0.00 0.00 177.39 173.98 1gjx s LYS 6 N -2.66 0.36 0.35 1.96 1.02 -1.26 -2.26 119.74 117.25 1gjx s LYS 6 Ca 0.69 -0.70 -0.25 0.00 0.02 0.00 0.00 55.97 55.73 1gjx s LYS 6 Cb -0.38 0.13 -0.13 0.00 -0.52 0.00 0.00 37.83 36.92 1gjx s LYS 6 CO 0.54 -0.06 0.72 0.28 -0.92 0.00 0.00 175.35 175.91 1gjx n VAL 7 N 1.37 1.93 -0.40 3.17 0.31 -1.26 -4.90 118.33 118.55 1gjx n VAL 7 Ca -0.22 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.61 1gjx n VAL 7 Cb 0.56 -0.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 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 0.64 -0.43 -3.12 5.55 -0.04 -1.26 -4.46 135.00 131.87 1gjx n PRO 8 Ca 0.12 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.13 1gjx n PRO 8 Cb 0.35 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 1gjx n PRO 8 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1gjx n ASP 9 N -2.24 5.67 -3.46 3.54 8.00 -1.26 -4.79 116.55 122.02 1gjx n ASP 9 Ca 0.00 -3.13 -0.40 0.00 0.71 0.00 0.00 54.79 51.97 1gjx n ASP 9 Cb 0.00 -1.39 -0.01 0.00 -0.02 0.00 0.00 41.12 39.70 1gjx n ASP 9 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1gjx n ILE 10 N 2.70 5.02 -0.26 0.53 -6.64 -1.26 -4.77 119.36 114.67 1gjx n ILE 10 Ca 0.28 -3.96 -0.02 0.00 -1.77 0.00 0.00 62.75 57.27 1gjx n ILE 10 Cb 0.38 -2.20 -0.02 0.00 -1.44 0.00 0.00 39.64 36.36 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 2.15 -0.05 2.02 3.28 0.00 -1.26 -4.01 105.19 107.32 1gjx n GLY 11 Ca 0.65 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 1.06 -1.81 0.00 -0.02 0.00 -1.26 -4.88 105.19 98.28 1gjx n GLY 12 Ca 0.07 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 -3.21 0.00 -0.99 1.61 -0.00 -1.26 -5.02 115.22 106.36 1gjx n HIS 13 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.41 1gjx n HIS 13 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.96 1gjx n HIS 13 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 1gjx n GLU 14 N -0.53 2.11 -2.65 -1.40 0.00 -1.26 -3.70 120.64 113.21 1gjx n GLU 14 Ca 0.00 -1.72 -0.02 0.00 0.00 0.00 0.00 57.16 55.41 1gjx n GLU 14 Cb 0.00 -2.68 0.08 0.00 0.00 0.00 0.00 31.44 28.83 1gjx n GLU 14 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1gjx n ASN 15 N 5.26 -1.04 -3.64 -1.84 0.23 0.04 -4.40 115.26 109.87 1gjx n ASN 15 Ca 0.50 -1.56 -0.14 0.00 -0.53 0.00 0.00 54.58 52.85 1gjx n ASN 15 Cb 0.24 1.02 0.01 0.00 -2.08 0.00 0.00 39.78 38.98 1gjx n ASN 15 CO 0.00 0.00 0.00 1.33 -0.93 0.00 0.00 177.26 177.66 1gjx n VAL 16 N 0.22 0.00 -4.85 3.53 0.24 -1.15 -4.79 118.33 111.53 1gjx n VAL 16 Ca -0.14 -1.20 -0.28 0.00 -2.04 0.00 0.00 64.34 60.69 1gjx n VAL 16 Cb 0.73 -0.40 -0.17 0.00 -1.47 0.00 0.00 33.84 32.53 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 -2.92 2.31 0.86 -1.34 1.11 -1.18 -1.66 116.67 113.85 1gjx s ASP 17 Ca 0.24 -0.40 -0.11 0.00 0.18 0.00 0.00 52.55 52.46 1gjx s ASP 17 Cb -0.02 -1.01 0.11 0.00 1.07 0.00 0.00 42.92 43.07 1gjx s ASP 17 CO 0.15 0.09 1.11 -0.63 1.18 0.00 0.00 175.17 177.07 1gjx s ILE 18 N 0.47 2.74 0.00 0.77 1.01 -1.21 -3.28 121.20 121.70 1gjx s ILE 18 Ca -0.15 0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.74 1gjx s ILE 18 Cb -0.16 -2.54 0.00 0.00 0.01 0.00 0.00 42.46 39.76 1gjx s ILE 18 CO 0.05 -0.31 0.00 2.30 0.00 0.00 0.00 174.94 176.98 1gjx n ILE 19 N -3.89 0.00 -4.45 2.92 -5.35 -1.26 -4.17 119.36 103.17 1gjx n ILE 19 Ca 0.09 0.00 -0.26 0.00 -0.27 0.00 0.00 62.75 62.32 1gjx n ILE 19 Cb 0.53 -0.40 -0.10 0.00 -1.74 0.00 0.00 39.64 37.93 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 -1.67 3.13 -0.29 -1.28 0.00 -1.26 -4.83 121.76 115.56 1gjx s ALA 20 Ca 0.00 -2.08 -0.07 0.00 0.00 0.00 0.00 51.96 49.81 1gjx s ALA 20 Cb 0.00 -0.15 0.15 0.00 0.00 0.00 0.00 23.12 23.11 1gjx s ALA 20 CO 0.00 0.02 0.61 0.54 0.00 0.00 0.00 175.76 176.94 1gjx s VAL 21 N -2.59 -0.97 -0.42 0.00 0.11 -1.26 -4.30 120.40 110.97 1gjx s VAL 21 Ca 0.34 0.01 0.10 0.00 -2.93 0.00 0.00 61.98 59.50 1gjx s VAL 21 Cb 0.03 -0.98 0.33 0.00 -1.53 0.00 0.00 36.38 34.24 1gjx s VAL 21 CO 0.18 0.00 0.75 -0.62 -3.33 0.00 0.00 175.10 172.08 1gjx n GLU 22 N 5.44 1.42 -3.64 1.54 1.02 0.10 -4.97 120.64 121.54 1gjx n GLU 22 Ca -0.08 -3.68 -0.15 0.00 -0.02 0.00 0.00 57.16 53.22 1gjx n GLU 22 Cb 0.50 -1.77 -0.14 0.00 -0.02 0.00 0.00 31.44 30.00 1gjx n GLU 22 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1gjx s VAL 23 N -2.68 -0.34 -0.16 2.62 -7.23 -1.26 -4.80 120.40 106.55 1gjx s VAL 23 Ca 0.41 0.27 0.16 0.00 -1.81 0.00 0.00 61.98 61.01 1gjx s VAL 23 Cb 0.31 -0.41 0.34 0.00 0.56 0.00 0.00 36.38 37.18 1gjx s VAL 23 CO -0.09 0.09 1.18 -3.20 -0.31 0.00 0.00 175.10 172.77 1gjx n ASN 24 N 5.34 2.19 0.00 4.85 5.15 -1.26 -5.03 115.26 126.50 1gjx n ASN 24 Ca -0.05 -3.35 0.00 0.00 -0.60 0.00 0.00 54.58 50.58 1gjx n ASN 24 Cb 0.50 -0.47 0.00 0.00 -0.53 0.00 0.00 39.78 39.28 1gjx n ASN 24 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1gjx n VAL 25 N -1.32 0.00 -0.73 3.44 0.31 -1.26 -4.38 118.33 114.39 1gjx n VAL 25 Ca 0.17 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.26 1gjx n VAL 25 Cb 0.67 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.57 1gjx n VAL 25 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1gjx n GLY 26 N 0.00 2.81 3.42 2.92 0.00 -1.22 -2.35 105.19 110.78 1gjx n GLY 26 Ca 0.00 -0.83 -0.21 0.00 0.00 0.00 0.00 46.02 44.98 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 3.94 2.13 -0.14 1.61 -1.08 -1.26 -5.00 116.67 116.86 1gjx s ASP 27 Ca 0.39 -1.42 -0.08 0.00 -0.52 0.00 0.00 52.55 50.93 1gjx s ASP 27 Cb 0.10 0.05 -0.04 0.00 -1.46 0.00 0.00 42.92 41.57 1gjx s ASP 27 CO 0.00 -0.68 0.12 -0.89 0.52 0.00 0.00 175.17 174.25 1gjx s THR 28 N -3.40 5.36 0.09 1.71 2.01 -1.26 -3.36 115.64 116.78 1gjx s THR 28 Ca 0.35 0.16 0.04 0.00 0.31 0.00 0.00 61.69 62.55 1gjx s THR 28 Cb 0.08 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 69.19 1gjx s THR 28 CO 0.15 0.56 -0.11 0.27 -0.69 0.00 0.00 174.62 174.79 1gjx s ILE 29 N -0.53 1.00 0.29 1.82 -4.36 -0.82 -5.02 121.20 113.57 1gjx s ILE 29 Ca 0.12 -1.50 0.03 0.00 -0.26 0.00 0.00 60.65 59.04 1gjx s ILE 29 Cb -0.12 -1.22 -0.04 0.00 1.25 0.00 0.00 42.46 42.33 1gjx s ILE 29 CO 0.02 -0.43 0.17 0.00 0.24 0.00 0.00 174.94 174.94 1gjx s ALA 30 N -1.97 1.81 -0.72 2.27 0.00 -1.20 -2.85 121.76 119.10 1gjx s ALA 30 Ca 0.02 -1.79 -0.07 0.00 0.00 0.00 0.00 51.96 50.12 1gjx s ALA 30 Cb -0.06 1.23 -0.17 0.00 0.00 0.00 0.00 23.12 24.12 1gjx s ALA 30 CO 0.01 -0.54 3.12 0.28 0.00 0.00 0.00 175.76 178.64 1gjx n VAL 31 N -0.53 3.36 0.00 0.00 0.31 0.48 -3.68 118.33 118.27 1gjx n VAL 31 Ca 0.02 -1.86 0.00 0.00 -0.01 0.00 0.00 64.34 62.48 1gjx n VAL 31 Cb 0.65 -2.24 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 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 3.08 0.00 -3.67 4.52 5.68 -1.17 -4.88 116.55 120.12 1gjx n ASP 32 Ca 0.56 0.00 -0.08 0.00 -0.50 0.00 0.00 54.79 54.77 1gjx n ASP 32 Cb 0.55 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.44 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 -0.53 -0.04 -1.12 1.47 0.44 -4.95 116.67 111.95 1gjx s ASP 33 Ca 0.00 1.09 -0.30 0.00 1.18 0.00 0.00 52.55 54.52 1gjx s ASP 33 Cb 0.00 1.28 -0.08 0.00 -0.34 0.00 0.00 42.92 43.78 1gjx s ASP 33 CO 0.00 -0.22 2.04 0.35 0.68 0.00 0.00 175.17 178.02 1gjx n THR 34 N 4.91 0.65 -0.00 2.11 -2.24 -1.25 -0.05 114.28 118.40 1gjx n THR 34 Ca -0.15 -0.22 -0.21 0.00 -2.27 0.00 0.00 64.05 61.19 1gjx n THR 34 Cb 0.52 -2.35 -0.14 0.00 -2.10 0.00 0.00 70.33 66.26 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 8.58 2.59 0.00 3.22 4.77 0.38 -4.77 117.00 131.77 1gjx n LEU 35 Ca 0.23 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1gjx n LEU 35 Cb 0.41 -1.11 0.00 0.00 -2.33 0.00 0.00 43.42 40.39 1gjx n LEU 35 CO 0.68 0.81 0.00 2.30 -1.33 0.00 0.00 177.39 179.85 1gjx n ILE 36 N -3.55 0.00 -2.71 -0.08 -0.00 -1.24 0.02 119.36 111.80 1gjx n ILE 36 Ca -0.32 0.00 -0.08 0.00 -0.00 0.00 0.00 62.75 62.35 1gjx n ILE 36 Cb 1.02 0.00 0.10 0.00 -0.00 0.00 0.00 39.64 40.76 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 0.00 0.09 -0.96 7.28 -1.04 -1.25 -3.06 114.28 115.33 1gjx n THR 37 Ca 0.00 -1.71 -0.36 0.00 -2.04 0.00 0.00 64.05 59.93 1gjx n THR 37 Cb 0.00 1.03 0.05 0.00 -1.82 0.00 0.00 70.33 69.59 1gjx n THR 37 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1gjx n LEU 38 N -0.36 -4.35 -3.59 -4.42 7.94 0.16 -4.14 117.00 108.24 1gjx n LEU 38 Ca 0.00 0.12 -0.06 0.00 -1.11 0.00 0.00 56.01 54.96 1gjx n LEU 38 Cb 0.82 -0.73 -0.04 0.00 0.53 0.00 0.00 43.42 44.00 1gjx n LEU 38 CO -0.02 -4.54 0.92 -0.70 -1.11 0.00 0.00 177.39 171.94 1gjx s GLU 39 N -2.23 0.42 0.00 1.96 2.12 -1.20 0.15 118.70 119.91 1gjx s GLU 39 Ca 0.41 -0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.72 1gjx s GLU 39 Cb -0.09 0.20 0.00 0.00 0.26 0.00 0.00 34.13 34.50 1gjx s GLU 39 CO 0.75 -0.16 0.00 0.25 -0.54 0.00 0.00 175.26 175.57 1gjx n THR 40 N 0.30 0.00 -2.03 -1.70 -2.24 -1.18 -3.07 114.28 104.36 1gjx n THR 40 Ca -0.05 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1gjx n THR 40 Cb 0.59 -0.81 -0.00 0.00 -2.10 0.00 0.00 70.33 68.01 1gjx n THR 40 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1gjx n ASP 41 N -1.03 -0.01 0.00 3.42 2.03 -1.26 -4.72 116.55 114.97 1gjx n ASP 41 Ca 0.00 -1.53 0.00 0.00 0.52 0.00 0.00 54.79 53.78 1gjx n ASP 41 Cb 0.00 -0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 1gjx n ASP 41 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1gjx n LYS 42 N 0.03 0.00 -3.31 -0.67 4.81 -1.26 -5.10 118.16 112.66 1gjx n LYS 42 Ca -0.02 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 56.98 1gjx n LYS 42 Cb 0.63 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.61 1gjx n LYS 42 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1gjx s ALA 43 N -1.14 3.50 -0.35 3.14 0.00 -1.26 -5.04 121.76 120.61 1gjx s ALA 43 Ca 0.00 -1.96 -0.20 0.00 0.00 0.00 0.00 51.96 49.80 1gjx s ALA 43 Cb 0.00 -3.16 -0.00 0.00 0.00 0.00 0.00 23.12 19.96 1gjx s ALA 43 CO 0.00 -1.81 0.59 0.95 0.00 0.00 0.00 175.76 175.50 1gjx s THR 44 N 1.98 4.94 -0.05 0.00 -4.23 -1.26 -3.08 115.64 113.94 1gjx s THR 44 Ca 0.08 0.53 -0.13 0.00 -1.18 0.00 0.00 61.69 61.00 1gjx s THR 44 Cb -0.22 -4.03 -0.05 0.00 1.34 0.00 0.00 72.50 69.54 1gjx s THR 44 CO 0.09 -0.26 0.32 -0.32 -0.54 0.00 0.00 174.62 173.91 1gjx s MET 45 N 2.59 3.82 0.05 3.99 1.75 0.40 -4.94 119.30 126.96 1gjx s MET 45 Ca 0.23 0.23 0.09 0.00 -1.25 0.00 0.00 55.69 54.99 1gjx s MET 45 Cb -0.15 -3.23 -0.03 0.00 2.84 0.00 0.00 34.83 34.26 1gjx s MET 45 CO 0.14 0.67 -0.26 -0.51 -0.65 0.00 0.00 175.02 174.40 1gjx s ASP 46 N -0.89 3.19 -0.23 1.11 1.11 -1.26 0.39 116.67 120.09 1gjx s ASP 46 Ca 0.21 -0.59 0.02 0.00 0.18 0.00 0.00 52.55 52.37 1gjx s ASP 46 Cb -0.15 -0.30 0.05 0.00 1.07 0.00 0.00 42.92 43.59 1gjx s ASP 46 CO 0.10 0.26 -0.11 -0.69 1.18 0.00 0.00 175.17 175.90 1gjx s VAL 47 N -0.81 1.91 -0.24 -1.27 1.01 -1.17 -4.98 120.40 114.84 1gjx s VAL 47 Ca 0.12 -1.29 0.00 0.00 0.00 0.00 0.00 61.98 60.81 1gjx s VAL 47 Cb -0.10 -1.98 0.23 0.00 0.00 0.00 0.00 36.38 34.53 1gjx s VAL 47 CO 0.02 0.10 1.73 -0.81 0.00 0.00 0.00 175.10 176.14 1gjx n PRO 48 N 4.57 1.62 -1.20 2.72 -0.04 -1.26 0.14 135.00 141.56 1gjx n PRO 48 Ca -0.15 -1.33 0.13 0.00 -0.04 0.00 0.00 63.50 62.12 1gjx n PRO 48 Cb 0.45 -1.52 -0.05 0.00 -0.04 0.00 0.00 33.50 32.33 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 0.17 -3.28 -2.72 0.55 0.00 0.92 0.17 120.51 116.32 1gjx n ALA 49 Ca 0.26 0.54 -0.07 0.00 0.00 0.00 0.00 53.44 54.17 1gjx n ALA 49 Cb 0.76 -1.22 0.07 0.00 0.00 0.00 0.00 19.45 19.06 1gjx n ALA 49 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1gjx n GLU 50 N -3.73 0.60 -3.85 0.00 4.07 -1.26 -4.15 120.64 112.31 1gjx n GLU 50 Ca -0.04 -1.41 0.01 0.00 -0.06 0.00 0.00 57.16 55.66 1gjx n GLU 50 Cb 0.61 -0.99 0.01 0.00 -0.06 0.00 0.00 31.44 31.01 1gjx n GLU 50 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 1gjx s VAL 51 N 0.44 0.00 -0.41 6.31 -7.23 -1.24 -4.94 120.40 113.33 1gjx s VAL 51 Ca 0.28 -0.31 0.04 0.00 -1.81 0.00 0.00 61.98 60.19 1gjx s VAL 51 Cb 0.24 -2.63 0.18 0.00 0.56 0.00 0.00 36.38 34.72 1gjx s VAL 51 CO -0.17 0.00 0.36 0.00 -0.31 0.00 0.00 175.10 174.98 1gjx n ALA 52 N -0.72 2.83 -2.44 1.32 0.00 -1.26 -0.39 120.51 119.85 1gjx n ALA 52 Ca -0.02 -3.15 0.00 0.00 0.00 0.00 0.00 53.44 50.27 1gjx n ALA 52 Cb 0.60 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.29 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 2.68 2.58 3.06 0.00 0.00 -1.13 0.17 105.19 112.55 1gjx n GLY 53 Ca 0.29 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 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 0.31 0.93 0.37 1.61 1.01 -1.26 -1.95 120.40 121.41 1gjx s VAL 54 Ca 0.00 -0.49 -0.24 0.00 0.00 0.00 0.00 61.98 61.25 1gjx s VAL 54 Cb 0.00 -0.78 -0.10 0.00 0.00 0.00 0.00 36.38 35.50 1gjx s VAL 54 CO 0.00 0.27 0.96 -0.69 0.00 0.00 0.00 175.10 175.63 1gjx s VAL 55 N -0.18 4.22 -0.02 2.92 1.01 -0.99 0.11 120.40 127.47 1gjx s VAL 55 Ca 0.03 1.66 -0.00 0.00 0.00 0.00 0.00 61.98 63.67 1gjx s VAL 55 Cb -0.06 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 1gjx s VAL 55 CO -0.00 -0.03 -0.02 0.29 0.00 0.00 0.00 175.10 175.34 1gjx n LYS 56 N 0.08 0.04 -4.20 2.72 4.76 0.13 -3.37 118.16 118.32 1gjx n LYS 56 Ca 0.04 0.01 -0.24 0.00 -2.87 0.00 0.00 58.31 55.25 1gjx n LYS 56 Cb 0.51 -0.83 -0.06 0.00 -1.84 0.00 0.00 35.03 32.81 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 -2.04 2.54 -0.19 1.97 2.02 -1.23 -4.83 118.70 116.94 1gjx s GLU 57 Ca -0.03 -1.19 -0.06 0.00 0.02 0.00 0.00 54.97 53.72 1gjx s GLU 57 Cb 0.01 -2.36 0.09 0.00 0.10 0.00 0.00 34.13 31.96 1gjx s GLU 57 CO 0.04 0.41 0.40 0.54 0.02 0.00 0.00 175.26 176.67 1gjx s VAL 58 N -2.05 -0.62 -0.50 2.63 0.11 -1.25 -2.67 120.40 116.05 1gjx s VAL 58 Ca 0.31 0.17 0.07 0.00 -2.93 0.00 0.00 61.98 59.59 1gjx s VAL 58 Cb -0.08 -0.65 0.26 0.00 -1.53 0.00 0.00 36.38 34.38 1gjx s VAL 58 CO 0.21 0.06 0.65 0.29 -3.33 0.00 0.00 175.10 172.98 1gjx n LYS 59 N 5.38 1.58 -3.59 1.54 5.02 0.42 -4.96 118.16 123.56 1gjx n LYS 59 Ca -0.08 -3.89 -0.07 0.00 -2.02 0.00 0.00 58.31 52.25 1gjx n LYS 59 Cb 0.49 -1.71 -0.04 0.00 -0.02 0.00 0.00 35.03 33.76 1gjx n LYS 59 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1gjx s VAL 60 N -1.94 0.00 0.11 -0.18 0.11 -1.26 -4.41 120.40 112.82 1gjx s VAL 60 Ca 0.38 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 59.17 1gjx s VAL 60 Cb 0.18 -1.00 0.08 0.00 -1.53 0.00 0.00 36.38 34.11 1gjx s VAL 60 CO -0.07 0.00 1.05 -1.59 -3.33 0.00 0.00 175.10 171.16 1gjx s LYS 61 N -1.71 0.99 -1.05 1.54 0.00 -1.26 -5.04 119.74 113.22 1gjx s LYS 61 Ca 0.04 -0.56 -0.21 0.00 0.00 0.00 0.00 55.97 55.24 1gjx s LYS 61 Cb -0.01 0.33 0.07 0.00 0.00 0.00 0.00 37.83 38.23 1gjx s LYS 61 CO -0.04 -0.46 1.43 0.08 0.00 0.00 0.00 175.35 176.37 1gjx s VAL 62 N -2.98 4.13 0.00 1.79 1.01 -1.26 -3.88 120.40 119.21 1gjx s VAL 62 Ca 0.14 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1gjx s VAL 62 Cb 0.00 -5.02 0.00 0.00 0.00 0.00 0.00 36.38 31.36 1gjx s VAL 62 CO 0.01 -1.86 0.00 0.61 0.00 0.00 0.00 175.10 173.86 1gjx n GLY 63 N 6.36 0.54 3.27 4.51 0.00 -1.26 -5.04 105.19 113.56 1gjx n GLY 63 Ca 0.34 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.33 1.31 0.18 1.61 -4.77 -1.25 -5.02 116.67 108.39 1gjx s ASP 64 Ca 0.00 -1.65 0.05 0.00 -3.30 0.00 0.00 52.55 47.65 1gjx s ASP 64 Cb 0.00 0.50 -0.04 0.00 -1.09 0.00 0.00 42.92 42.29 1gjx s ASP 64 CO 0.00 -0.99 0.19 -0.75 0.70 0.00 0.00 175.17 174.32 1gjx s LYS 65 N -3.66 3.06 0.24 2.11 2.20 -1.26 -3.30 119.74 119.13 1gjx s LYS 65 Ca 0.40 -0.83 0.01 0.00 -0.36 0.00 0.00 55.97 55.18 1gjx s LYS 65 Cb 0.04 -2.72 -0.03 0.00 -1.51 0.00 0.00 37.83 33.60 1gjx s LYS 65 CO 0.23 0.48 0.19 0.42 -0.36 0.00 0.00 175.35 176.30 1gjx s ILE 66 N -1.83 0.00 -0.34 5.43 1.09 -0.66 -4.92 121.20 119.97 1gjx s ILE 66 Ca 0.32 -1.96 0.16 0.00 -1.10 0.00 0.00 60.65 58.07 1gjx s ILE 66 Cb -0.10 -2.49 0.44 0.00 -1.06 0.00 0.00 42.46 39.25 1gjx s ILE 66 CO 0.25 0.00 1.12 -1.54 -0.10 0.00 0.00 174.94 174.68 1gjx n SER 67 N -0.63 0.28 -4.20 3.58 3.41 -1.26 -0.78 113.62 114.02 1gjx n SER 67 Ca 0.03 -2.54 -0.40 0.00 -0.26 0.00 0.00 58.87 55.71 1gjx n SER 67 Cb 0.65 0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.57 1gjx n SER 67 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1gjx n GLU 68 N -0.36 -0.55 0.00 4.33 1.02 -1.26 -4.63 120.64 119.19 1gjx n GLU 68 Ca 0.04 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1gjx n GLU 68 Cb 0.83 -2.97 0.00 0.00 -0.02 0.00 0.00 31.44 29.28 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 -2.34 -0.02 0.72 0.62 0.00 -1.26 -4.76 105.19 98.15 1gjx n GLY 69 Ca -0.21 -0.16 0.04 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 5.05 3.82 -0.02 0.00 -1.26 -4.91 105.19 107.87 1gjx n GLY 70 Ca 0.00 -1.27 -0.32 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.13 -2.30 0.00 0.99 7.94 -1.26 -4.91 117.00 116.33 1gjx n LEU 71 Ca 0.23 -1.05 0.00 0.00 -1.11 0.00 0.00 56.01 54.07 1gjx n LEU 71 Cb 0.78 -2.23 0.00 0.00 0.53 0.00 0.00 43.42 42.50 1gjx n LEU 71 CO 0.03 0.51 0.18 -0.38 -1.11 0.00 0.00 177.39 176.61 1gjx n ILE 72 N -4.37 0.00 -4.43 1.96 5.41 -0.96 -4.39 119.36 112.57 1gjx n ILE 72 Ca -0.17 0.85 -0.22 0.00 1.00 0.00 0.00 62.75 64.21 1gjx n ILE 72 Cb 0.62 -1.50 -0.10 0.00 -0.71 0.00 0.00 39.64 37.95 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 -0.70 2.25 -0.11 1.39 -7.23 -1.26 0.16 120.40 114.89 1gjx s VAL 73 Ca 0.00 -2.34 -0.00 0.00 -1.81 0.00 0.00 61.98 57.82 1gjx s VAL 73 Cb 0.00 -2.23 0.02 0.00 0.56 0.00 0.00 36.38 34.73 1gjx s VAL 73 CO 0.00 -0.45 -0.09 -0.69 -0.31 0.00 0.00 175.10 173.56 1gjx s VAL 74 N -2.65 1.09 0.21 1.32 1.01 -1.09 0.17 120.40 120.46 1gjx s VAL 74 Ca 0.28 -0.34 0.08 0.00 0.00 0.00 0.00 61.98 62.01 1gjx s VAL 74 Cb -0.03 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 1gjx s VAL 74 CO 0.13 0.38 -0.02 0.68 0.00 0.00 0.00 175.10 176.27 1gjx s VAL 75 N 1.62 3.55 0.40 2.92 -7.23 -0.78 0.22 120.40 121.11 1gjx s VAL 75 Ca 0.04 -1.62 0.11 0.00 -1.81 0.00 0.00 61.98 58.70 1gjx s VAL 75 Cb -0.13 -2.82 0.15 0.00 0.56 0.00 0.00 36.38 34.14 1gjx s VAL 75 CO -0.08 -0.20 1.91 -0.08 -0.31 0.00 0.00 175.10 176.35 1gjx h GLU 76 N 2.46 0.12 -2.80 4.82 4.81 0.49 1.16 114.58 125.64 1gjx h GLU 76 Ca -0.46 -0.03 0.24 0.00 -0.13 0.00 0.00 59.36 58.98 1gjx h GLU 76 Cb 1.22 -0.02 -0.13 0.00 0.63 0.00 0.00 28.75 30.45 1gjx h GLU 76 CO 0.58 0.33 -0.90 0.00 -0.73 0.00 0.00 179.01 178.28 1gjx n ALA 77 N -2.49 -2.97 0.00 2.92 0.00 -1.24 -3.38 120.51 113.35 1gjx n ALA 77 Ca -0.01 0.66 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1gjx n ALA 77 Cb 0.29 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.47 1gjx n ALA 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1gjx n GLU 78 N -3.94 0.00 0.00 0.00 1.02 0.44 -4.42 120.64 113.74 1gjx n GLU 78 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1gjx n GLU 78 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 1gjx n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1gjx n GLY 79 N 0.00 -3.38 0.25 0.62 0.00 0.18 -4.70 105.19 98.17 1gjx n GLY 79 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.29 0.00 -1.28 2.61 5.66 -1.26 -5.07 114.28 114.64 1gjx n THR 80 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1gjx n THR 80 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1gjx n THR 80 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02