#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gjx n LEU 2 N 0.00 -1.60 -3.96 0.00 4.32 -1.14 -4.42 117.00 110.20 1gjx n LEU 2 Ca 0.00 -0.36 -0.09 0.00 -0.02 0.00 0.00 56.01 55.53 1gjx n LEU 2 Cb 0.00 -0.91 -0.10 0.00 -1.62 0.00 0.00 43.42 40.79 1gjx n LEU 2 CO 0.00 -3.43 -0.29 -0.69 -1.22 0.00 0.00 177.39 171.77 1gjx s VAL 3 N -2.16 0.13 -0.31 4.08 1.01 0.10 -4.83 120.40 118.42 1gjx s VAL 3 Ca 0.51 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1gjx s VAL 3 Cb -0.11 -0.66 0.10 0.00 0.00 0.00 0.00 36.38 35.71 1gjx s VAL 3 CO 0.52 -0.58 0.07 -1.61 0.00 0.00 0.00 175.10 173.50 1gjx s GLU 4 N -2.15 0.97 0.84 2.72 2.02 -1.26 0.59 118.70 122.43 1gjx s GLU 4 Ca -0.09 -1.28 -0.12 0.00 0.02 0.00 0.00 54.97 53.50 1gjx s GLU 4 Cb -0.04 -2.36 0.10 0.00 0.10 0.00 0.00 34.13 31.93 1gjx s GLU 4 CO -0.03 -0.94 1.18 -0.51 0.02 0.00 0.00 175.26 174.97 1gjx s LEU 5 N 1.41 3.04 -0.01 1.80 1.43 0.39 -4.90 118.68 121.84 1gjx s LEU 5 Ca 0.09 2.28 -0.03 0.00 -1.03 0.00 0.00 54.13 55.44 1gjx s LEU 5 Cb -0.18 -4.58 -0.00 0.00 0.03 0.00 0.00 46.19 41.46 1gjx s LEU 5 CO -0.19 -2.79 0.06 -0.54 0.23 0.00 0.00 176.35 173.12 1gjx s LYS 6 N -4.35 0.24 0.31 1.70 1.02 -1.26 -1.89 119.74 115.51 1gjx s LYS 6 Ca 0.70 -0.21 -0.27 0.00 0.02 0.00 0.00 55.97 56.22 1gjx s LYS 6 Cb -0.26 0.10 -0.14 0.00 -0.52 0.00 0.00 37.83 37.01 1gjx s LYS 6 CO 0.53 -0.05 0.87 0.28 -0.92 0.00 0.00 175.35 176.06 1gjx n VAL 7 N 2.27 2.01 -0.26 3.17 0.31 -1.26 -4.69 118.33 119.88 1gjx n VAL 7 Ca -0.18 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 1gjx n VAL 7 Cb 0.57 -0.80 0.00 0.00 -0.91 0.00 0.00 33.84 32.71 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 0.68 -0.29 0.02 5.55 -0.04 -1.26 -3.09 135.00 136.57 1gjx n PRO 8 Ca 0.11 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.68 1gjx n PRO 8 Cb 0.33 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 33.88 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 -1.82 0.63 -2.45 3.54 8.00 -1.26 -3.81 116.55 119.38 1gjx n ASP 9 Ca 0.00 -0.23 -0.10 0.00 0.71 0.00 0.00 54.79 55.17 1gjx n ASP 9 Cb 0.00 0.57 -0.02 0.00 -0.02 0.00 0.00 41.12 41.65 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 -1.83 0.00 -2.47 0.53 -6.64 -1.26 -1.30 119.36 106.39 1gjx n ILE 10 Ca 0.03 0.00 -0.06 0.00 -1.77 0.00 0.00 62.75 60.95 1gjx n ILE 10 Cb 0.40 -0.11 -0.01 0.00 -1.44 0.00 0.00 39.64 38.48 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 -0.52 -0.40 0.00 3.28 0.00 -1.26 -4.49 105.19 101.79 1gjx n GLY 11 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.51 4.91 0.00 -0.02 0.00 -0.42 -4.77 105.19 104.38 1gjx n GLY 12 Ca 0.02 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 0.00 -0.90 1.61 1.44 -1.26 -5.07 115.22 111.04 1gjx n HIS 13 Ca 0.00 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.41 1gjx n HIS 13 Cb 0.00 0.00 0.25 0.00 0.12 0.00 0.00 29.99 30.36 1gjx n HIS 13 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1gjx n GLU 14 N 0.00 -3.43 -3.03 -1.40 1.02 -1.26 -4.66 120.64 107.88 1gjx n GLU 14 Ca 0.00 -1.67 -0.01 0.00 -0.02 0.00 0.00 57.16 55.46 1gjx n GLU 14 Cb 0.00 -1.66 -0.01 0.00 -0.02 0.00 0.00 31.44 29.76 1gjx n GLU 14 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1gjx n ASN 15 N -5.01 -6.48 -3.77 1.62 6.94 -1.21 -4.94 115.26 102.40 1gjx n ASN 15 Ca 0.15 0.85 -0.13 0.00 -0.02 0.00 0.00 54.58 55.43 1gjx n ASN 15 Cb 0.58 -2.32 -0.12 0.00 -2.36 0.00 0.00 39.78 35.56 1gjx n ASN 15 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1gjx s VAL 16 N -0.59 -0.01 0.01 3.53 -7.23 0.52 -4.89 120.40 111.75 1gjx s VAL 16 Ca -0.03 0.04 -0.30 0.00 -1.81 0.00 0.00 61.98 59.88 1gjx s VAL 16 Cb 0.00 -0.35 -0.05 0.00 0.56 0.00 0.00 36.38 36.54 1gjx s VAL 16 CO 0.16 0.02 1.33 -0.62 -0.31 0.00 0.00 175.10 175.68 1gjx s ASP 17 N 0.45 6.92 1.07 4.85 2.15 -1.22 0.17 116.67 131.05 1gjx s ASP 17 Ca -0.03 2.06 -0.14 0.00 0.43 0.00 0.00 52.55 54.87 1gjx s ASP 17 Cb -0.04 -2.56 0.15 0.00 -0.30 0.00 0.00 42.92 40.16 1gjx s ASP 17 CO -0.02 -0.66 0.58 -0.38 -0.17 0.00 0.00 175.17 174.52 1gjx n ILE 18 N 4.50 0.00 -1.04 4.11 5.41 -1.08 -3.47 119.36 127.78 1gjx n ILE 18 Ca 0.12 -0.27 0.00 0.00 1.00 0.00 0.00 62.75 63.60 1gjx n ILE 18 Cb 0.44 -0.79 0.00 0.00 -0.71 0.00 0.00 39.64 38.59 1gjx n ILE 18 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1gjx n ILE 19 N -4.38 0.00 -3.64 1.39 -6.64 0.10 -4.71 119.36 101.48 1gjx n ILE 19 Ca 0.05 0.00 -0.03 0.00 -1.77 0.00 0.00 62.75 61.00 1gjx n ILE 19 Cb 0.56 0.96 -0.05 0.00 -1.44 0.00 0.00 39.64 39.67 1gjx n ILE 19 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1gjx s ALA 20 N 0.00 -2.14 -0.04 -1.28 0.00 -1.03 -4.62 121.76 112.64 1gjx s ALA 20 Ca 0.00 1.80 -0.01 0.00 0.00 0.00 0.00 51.96 53.76 1gjx s ALA 20 Cb 0.00 -1.56 0.03 0.00 0.00 0.00 0.00 23.12 21.59 1gjx s ALA 20 CO 0.00 -0.20 0.02 0.54 0.00 0.00 0.00 175.76 176.12 1gjx s VAL 21 N -0.65 0.15 -0.27 0.00 0.11 -1.26 -3.66 120.40 114.82 1gjx s VAL 21 Ca 0.08 0.19 0.18 0.00 -2.93 0.00 0.00 61.98 59.50 1gjx s VAL 21 Cb -0.02 -0.31 0.45 0.00 -1.53 0.00 0.00 36.38 34.97 1gjx s VAL 21 CO -0.10 0.19 1.29 -0.62 -3.33 0.00 0.00 175.10 172.52 1gjx n GLU 22 N 4.74 1.44 -4.08 1.54 -0.58 0.72 -4.96 120.64 119.46 1gjx n GLU 22 Ca -0.15 -2.42 -0.32 0.00 -0.42 0.00 0.00 57.16 53.85 1gjx n GLU 22 Cb 0.50 -0.63 -0.15 0.00 -0.57 0.00 0.00 31.44 30.58 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 -1.90 2.13 -0.37 2.62 -7.23 -1.26 -4.79 120.40 109.59 1gjx s VAL 23 Ca 0.19 -1.44 0.03 0.00 -1.81 0.00 0.00 61.98 58.95 1gjx s VAL 23 Cb 0.36 -2.16 0.11 0.00 0.56 0.00 0.00 36.38 35.25 1gjx s VAL 23 CO -0.08 0.13 0.11 0.20 -0.31 0.00 0.00 175.10 175.14 1gjx s ASN 24 N 1.16 4.48 -0.48 4.85 -0.87 -1.26 -4.98 114.94 117.84 1gjx s ASN 24 Ca -0.05 -2.24 -0.42 0.00 -1.57 0.00 0.00 52.86 48.57 1gjx s ASN 24 Cb -0.18 -1.45 -0.18 0.00 -0.02 0.00 0.00 41.25 39.41 1gjx s ASN 24 CO -0.07 -0.35 1.95 1.33 -2.57 0.00 0.00 177.10 177.38 1gjx n VAL 25 N 4.11 0.00 0.00 1.60 0.24 -1.26 -2.38 118.33 120.65 1gjx n VAL 25 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 1gjx n VAL 25 Cb 0.40 -0.48 0.00 0.00 -1.47 0.00 0.00 33.84 32.29 1gjx n VAL 25 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1gjx n GLY 26 N 6.55 1.86 3.26 7.63 0.00 0.21 -4.88 105.19 119.82 1gjx n GLY 26 Ca 0.48 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.23 1gjx n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gjx s ASP 27 N -2.00 2.57 0.05 1.61 1.01 -1.00 -4.92 116.67 113.99 1gjx s ASP 27 Ca 0.00 -0.48 -0.31 0.00 0.71 0.00 0.00 52.55 52.47 1gjx s ASP 27 Cb 0.00 -0.24 -0.07 0.00 1.01 0.00 0.00 42.92 43.62 1gjx s ASP 27 CO 0.00 0.21 1.41 -0.89 0.21 0.00 0.00 175.17 176.11 1gjx s THR 28 N -0.70 3.53 0.41 -1.27 2.01 -1.26 -2.48 115.64 115.89 1gjx s THR 28 Ca 0.08 1.01 0.08 0.00 0.31 0.00 0.00 61.69 63.17 1gjx s THR 28 Cb -0.09 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 1gjx s THR 28 CO 0.01 0.03 0.33 0.27 -0.69 0.00 0.00 174.62 174.57 1gjx s ILE 29 N 1.90 2.69 0.34 1.82 -4.36 0.42 -4.94 121.20 119.07 1gjx s ILE 29 Ca 0.65 -1.41 0.05 0.00 -0.26 0.00 0.00 60.65 59.67 1gjx s ILE 29 Cb -0.34 -3.01 -0.02 0.00 1.25 0.00 0.00 42.46 40.34 1gjx s ILE 29 CO 0.28 -0.02 0.17 0.00 0.24 0.00 0.00 174.94 175.61 1gjx n ALA 30 N -1.47 0.56 -0.76 2.27 0.00 -1.24 -2.31 120.51 117.56 1gjx n ALA 30 Ca 0.02 -1.81 -0.20 0.00 0.00 0.00 0.00 53.44 51.45 1gjx n ALA 30 Cb 0.62 1.31 0.11 0.00 0.00 0.00 0.00 19.45 21.48 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 -0.73 2.77 0.00 0.00 0.31 -1.24 -3.11 118.33 116.33 1gjx n VAL 31 Ca -0.01 -1.65 0.00 0.00 -0.01 0.00 0.00 64.34 62.67 1gjx n VAL 31 Cb 0.54 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 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 -0.54 0.00 -3.58 4.52 5.75 -0.62 -4.67 116.55 117.41 1gjx n ASP 32 Ca 0.44 0.00 -0.25 0.00 -0.01 0.00 0.00 54.79 54.97 1gjx n ASP 32 Cb 1.11 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 41.05 1gjx n ASP 32 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 1gjx s ASP 33 N 0.00 2.35 -0.31 -1.12 -4.77 0.33 -4.92 116.67 108.23 1gjx s ASP 33 Ca 0.00 -0.65 -0.39 0.00 -3.30 0.00 0.00 52.55 48.21 1gjx s ASP 33 Cb 0.00 -0.15 -0.14 0.00 -1.09 0.00 0.00 42.92 41.54 1gjx s ASP 33 CO 0.00 -0.36 1.92 0.35 0.70 0.00 0.00 175.17 177.78 1gjx n THR 34 N 5.28 0.27 -0.08 2.11 -2.24 -1.25 -2.13 114.28 116.23 1gjx n THR 34 Ca -0.07 -0.12 -0.22 0.00 -2.27 0.00 0.00 64.05 61.38 1gjx n THR 34 Cb 0.48 -1.34 -0.12 0.00 -2.10 0.00 0.00 70.33 67.25 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 7.00 2.41 0.00 3.22 4.77 0.46 -4.90 117.00 129.97 1gjx n LEU 35 Ca 0.33 0.19 -0.06 0.00 -0.03 0.00 0.00 56.01 56.45 1gjx n LEU 35 Cb 0.16 -0.97 -0.01 0.00 -2.33 0.00 0.00 43.42 40.26 1gjx n LEU 35 CO 0.80 0.69 0.09 2.30 -1.33 0.00 0.00 177.39 179.93 1gjx n ILE 36 N -3.80 0.00 -3.39 -0.08 -6.64 -1.24 -0.20 119.36 104.01 1gjx n ILE 36 Ca -0.40 -0.70 -0.13 0.00 -1.77 0.00 0.00 62.75 59.75 1gjx n ILE 36 Cb 0.92 0.45 -0.09 0.00 -1.44 0.00 0.00 39.64 39.47 1gjx n ILE 36 CO 0.00 0.00 0.00 -0.89 -1.77 0.00 0.00 176.55 173.89 1gjx s THR 37 N -2.60 -0.50 0.23 7.28 2.01 -1.24 -1.83 115.64 118.99 1gjx s THR 37 Ca 0.11 -0.16 -0.07 0.00 0.31 0.00 0.00 61.69 61.88 1gjx s THR 37 Cb -0.01 -0.82 -0.06 0.00 0.01 0.00 0.00 72.50 71.62 1gjx s THR 37 CO 0.08 -0.21 0.52 -0.76 -0.69 0.00 0.00 174.62 173.56 1gjx s LEU 38 N 2.46 4.15 -0.03 4.42 2.01 0.43 0.01 118.68 132.13 1gjx s LEU 38 Ca 0.10 0.79 -0.24 0.00 0.01 0.00 0.00 54.13 54.79 1gjx s LEU 38 Cb -0.15 -3.56 0.05 0.00 0.01 0.00 0.00 46.19 42.54 1gjx s LEU 38 CO -0.19 -0.09 0.52 -0.70 1.01 0.00 0.00 176.35 176.91 1gjx s GLU 39 N -3.02 0.89 -0.01 1.70 2.12 -1.23 0.16 118.70 119.32 1gjx s GLU 39 Ca 0.45 0.06 -0.06 0.00 0.36 0.00 0.00 54.97 55.78 1gjx s GLU 39 Cb -0.11 0.41 -0.02 0.00 0.26 0.00 0.00 34.13 34.67 1gjx s GLU 39 CO 0.25 -0.27 -0.12 0.25 -0.54 0.00 0.00 175.26 174.83 1gjx n THR 40 N 1.05 1.16 0.00 -1.70 -2.24 -1.12 -3.46 114.28 107.97 1gjx n THR 40 Ca -0.20 0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1gjx n THR 40 Cb 0.57 -1.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.00 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 -3.69 0.00 -2.13 3.42 -0.08 -1.26 -4.85 116.55 107.97 1gjx n ASP 41 Ca -0.05 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.15 1gjx n ASP 41 Cb 0.18 0.04 0.05 0.00 2.34 0.00 0.00 41.12 43.73 1gjx n ASP 41 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1gjx n LYS 42 N -1.24 2.25 -3.18 -0.67 3.00 -1.26 -5.01 118.16 112.04 1gjx n LYS 42 Ca 0.00 -3.57 0.04 0.00 -0.00 0.00 0.00 58.31 54.78 1gjx n LYS 42 Cb 0.00 -1.69 -0.04 0.00 0.00 0.00 0.00 35.03 33.30 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 -3.24 -3.34 -0.22 3.14 0.00 -1.26 -5.00 121.76 111.85 1gjx s ALA 43 Ca 0.38 1.74 -0.03 0.00 0.00 0.00 0.00 51.96 54.05 1gjx s ALA 43 Cb 0.37 -2.32 -0.00 0.00 0.00 0.00 0.00 23.12 21.16 1gjx s ALA 43 CO -0.03 -1.03 -0.06 0.95 0.00 0.00 0.00 175.76 175.59 1gjx s THR 44 N 2.16 3.19 0.14 0.00 -4.23 -1.26 -2.81 115.64 112.84 1gjx s THR 44 Ca -0.01 -0.56 0.05 0.00 -1.18 0.00 0.00 61.69 59.99 1gjx s THR 44 Cb -0.02 -2.44 -0.04 0.00 1.34 0.00 0.00 72.50 71.34 1gjx s THR 44 CO -0.15 0.44 0.11 -0.04 -0.54 0.00 0.00 174.62 174.43 1gjx s MET 45 N 1.45 2.86 0.02 3.99 -1.94 0.43 -4.94 119.30 121.17 1gjx s MET 45 Ca 0.06 -0.84 0.03 0.00 -1.71 0.00 0.00 55.69 53.23 1gjx s MET 45 Cb -0.14 -2.65 -0.01 0.00 2.01 0.00 0.00 34.83 34.04 1gjx s MET 45 CO -0.05 0.50 -0.10 0.16 -0.01 0.00 0.00 175.02 175.53 1gjx s ASP 46 N -2.90 1.15 -0.39 3.03 1.47 -1.26 0.16 116.67 117.94 1gjx s ASP 46 Ca 0.30 -0.33 -0.10 0.00 1.18 0.00 0.00 52.55 53.61 1gjx s ASP 46 Cb -0.11 -0.08 0.05 0.00 -0.34 0.00 0.00 42.92 42.45 1gjx s ASP 46 CO 0.23 0.01 0.22 -0.69 0.68 0.00 0.00 175.17 175.62 1gjx s VAL 47 N -0.64 4.35 -0.25 2.11 1.01 -0.76 -4.97 120.40 121.25 1gjx s VAL 47 Ca -0.00 -1.10 -0.00 0.00 0.00 0.00 0.00 61.98 60.88 1gjx s VAL 47 Cb -0.06 -3.52 0.20 0.00 0.00 0.00 0.00 36.38 33.00 1gjx s VAL 47 CO 0.00 -0.34 1.87 -0.81 0.00 0.00 0.00 175.10 175.83 1gjx n PRO 48 N 4.95 1.64 -3.02 2.72 -0.04 -1.26 0.17 135.00 140.16 1gjx n PRO 48 Ca -0.11 -1.30 -0.01 0.00 -0.04 0.00 0.00 63.50 62.04 1gjx n PRO 48 Cb 0.45 -1.51 -0.01 0.00 -0.04 0.00 0.00 33.50 32.39 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 0.37 -1.97 -1.51 0.55 0.00 -0.91 0.12 120.51 117.17 1gjx n ALA 49 Ca 0.25 0.37 -0.29 0.00 0.00 0.00 0.00 53.44 53.78 1gjx n ALA 49 Cb 0.66 -1.11 -0.06 0.00 0.00 0.00 0.00 19.45 18.93 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 1.80 3.04 0.00 0.00 1.02 -1.26 -1.58 120.64 123.65 1gjx n GLU 50 Ca -0.06 -2.36 0.00 0.00 -0.02 0.00 0.00 57.16 54.72 1gjx n GLU 50 Cb 0.26 -2.31 0.00 0.00 -0.02 0.00 0.00 31.44 29.37 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 1.69 0.00 -0.54 2.62 3.14 -1.18 -4.96 118.33 119.10 1gjx n VAL 51 Ca 0.54 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.92 1gjx n VAL 51 Cb 0.51 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.29 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 -0.91 0.00 0.00 1.55 0.00 -1.23 -3.63 120.51 116.29 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 0.40 3.07 0.00 0.00 -0.98 -3.13 105.19 109.55 1gjx n GLY 53 Ca 0.00 -1.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.09 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 -0.01 0.41 1.61 1.01 -1.26 0.16 120.40 122.32 1gjx s VAL 54 Ca 0.00 0.02 -0.23 0.00 0.00 0.00 0.00 61.98 61.77 1gjx s VAL 54 Cb 0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 36.38 36.00 1gjx s VAL 54 CO 0.00 0.01 1.02 -0.69 0.00 0.00 0.00 175.10 175.44 1gjx s VAL 55 N 0.25 3.86 -0.00 2.92 1.01 -1.03 0.17 120.40 127.58 1gjx s VAL 55 Ca -0.01 1.36 -0.00 0.00 0.00 0.00 0.00 61.98 63.32 1gjx s VAL 55 Cb -0.03 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.69 1gjx s VAL 55 CO -0.01 -0.06 -0.00 0.29 0.00 0.00 0.00 175.10 175.32 1gjx n LYS 56 N -0.22 0.01 -3.80 2.72 4.76 0.40 0.68 118.16 122.70 1gjx n LYS 56 Ca 0.06 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.27 1gjx n LYS 56 Cb 0.51 -0.62 -0.04 0.00 -1.84 0.00 0.00 35.03 33.04 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 -2.01 2.37 -0.28 1.97 2.02 -1.00 -4.68 118.70 117.10 1gjx s GLU 57 Ca -0.01 -1.75 -0.23 0.00 0.02 0.00 0.00 54.97 53.00 1gjx s GLU 57 Cb 0.00 -2.19 0.10 0.00 0.10 0.00 0.00 34.13 32.14 1gjx s GLU 57 CO 0.01 -0.29 0.88 0.54 0.02 0.00 0.00 175.26 176.41 1gjx s VAL 58 N -2.59 0.00 -0.45 2.63 0.11 -1.25 -3.28 120.40 115.56 1gjx s VAL 58 Ca 0.42 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.55 1gjx s VAL 58 Cb -0.01 -1.00 0.26 0.00 -1.53 0.00 0.00 36.38 34.10 1gjx s VAL 58 CO 0.25 0.00 0.79 0.29 -3.33 0.00 0.00 175.10 173.10 1gjx n LYS 59 N 2.76 0.80 -3.57 1.54 4.01 0.81 -4.94 118.16 119.57 1gjx n LYS 59 Ca -0.14 -2.34 -0.09 0.00 -0.51 0.00 0.00 58.31 55.22 1gjx n LYS 59 Cb 0.56 -1.35 -0.04 0.00 -0.51 0.00 0.00 35.03 33.68 1gjx n LYS 59 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1gjx s VAL 60 N -0.18 0.00 0.00 -0.18 0.11 -1.26 -4.66 120.40 114.23 1gjx s VAL 60 Ca 0.32 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.37 1gjx s VAL 60 Cb 0.23 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 34.08 1gjx s VAL 60 CO -0.17 0.00 0.00 0.29 -3.33 0.00 0.00 175.10 171.89 1gjx n LYS 61 N 0.50 0.00 -3.45 1.54 4.76 -1.26 -4.98 118.16 115.26 1gjx n LYS 61 Ca -0.09 0.00 -0.44 0.00 -2.87 0.00 0.00 58.31 54.92 1gjx n LYS 61 Cb 0.59 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.73 1gjx n LYS 61 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1gjx s VAL 62 N -2.41 5.01 0.00 -0.18 1.01 -1.26 -4.33 120.40 118.24 1gjx s VAL 62 Ca 0.00 -2.58 0.00 0.00 0.00 0.00 0.00 61.98 59.40 1gjx s VAL 62 Cb 0.00 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.24 1gjx s VAL 62 CO 0.00 -0.97 0.00 0.61 0.00 0.00 0.00 175.10 174.74 1gjx n GLY 63 N 3.87 0.33 3.99 4.51 0.00 -1.26 -5.09 105.19 111.54 1gjx n GLY 63 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 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 5.78 -0.16 1.61 -4.77 -1.26 -4.98 116.67 112.89 1gjx s ASP 64 Ca 0.00 -0.20 -0.08 0.00 -3.30 0.00 0.00 52.55 48.98 1gjx s ASP 64 Cb 0.00 -1.03 -0.04 0.00 -1.09 0.00 0.00 42.92 40.75 1gjx s ASP 64 CO 0.00 -0.64 0.10 -0.54 0.70 0.00 0.00 175.17 174.79 1gjx s LYS 65 N -4.33 3.75 0.23 2.11 3.01 -1.26 -2.65 119.74 120.59 1gjx s LYS 65 Ca 0.50 -0.23 0.06 0.00 -1.01 0.00 0.00 55.97 55.29 1gjx s LYS 65 Cb -0.10 -3.23 -0.05 0.00 -1.01 0.00 0.00 37.83 33.44 1gjx s LYS 65 CO 0.33 0.51 -0.08 -1.50 0.51 0.00 0.00 175.35 175.12 1gjx s ILE 66 N -0.27 1.48 -0.04 2.17 1.10 0.46 -4.79 121.20 121.31 1gjx s ILE 66 Ca 0.10 -2.12 -0.08 0.00 -0.51 0.00 0.00 60.65 58.03 1gjx s ILE 66 Cb -0.12 -2.22 0.01 0.00 0.15 0.00 0.00 42.46 40.29 1gjx s ILE 66 CO 0.01 -0.46 0.20 -0.44 -2.11 0.00 0.00 174.94 172.14 1gjx s SER 67 N -3.34 -0.13 -0.66 4.50 0.01 -1.26 0.20 113.70 113.01 1gjx s SER 67 Ca 0.25 0.16 -0.39 0.00 1.31 0.00 0.00 55.95 57.29 1gjx s SER 67 Cb 0.03 0.34 -0.19 0.00 0.21 0.00 0.00 66.02 66.40 1gjx s SER 67 CO 0.08 -0.22 2.34 -1.84 0.41 0.00 0.00 173.24 174.01 1gjx n GLU 68 N 2.24 0.09 -0.43 12.44 -0.00 -1.25 -3.04 120.64 130.69 1gjx n GLU 68 Ca -0.17 0.02 0.00 0.00 -0.00 0.00 0.00 57.16 57.01 1gjx n GLU 68 Cb 0.57 -1.60 0.00 0.00 -0.00 0.00 0.00 31.44 30.41 1gjx n GLU 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1gjx n GLY 69 N 7.07 0.48 0.48 -1.84 0.00 -1.18 -4.86 105.19 105.34 1gjx n GLY 69 Ca 0.58 -0.58 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.28 1.79 3.78 -0.02 0.00 -1.17 -4.88 105.19 104.42 1gjx n GLY 70 Ca 0.00 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.36 -2.20 0.00 0.99 7.94 -1.24 -4.92 117.00 117.22 1gjx n LEU 71 Ca 0.05 -1.09 0.00 0.00 -1.11 0.00 0.00 56.01 53.86 1gjx n LEU 71 Cb 0.72 -2.20 0.00 0.00 0.53 0.00 0.00 43.42 42.47 1gjx n LEU 71 CO -0.00 0.56 0.34 -0.38 -1.11 0.00 0.00 177.39 176.79 1gjx n ILE 72 N -4.40 0.00 -4.25 1.96 5.41 -0.79 -4.62 119.36 112.67 1gjx n ILE 72 Ca -0.10 1.18 -0.20 0.00 1.00 0.00 0.00 62.75 64.63 1gjx n ILE 72 Cb 0.59 -1.99 -0.12 0.00 -0.71 0.00 0.00 39.64 37.41 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 -1.71 1.18 -0.09 1.39 -7.23 -1.26 -0.14 120.40 112.55 1gjx s VAL 73 Ca 0.00 -1.23 0.02 0.00 -1.81 0.00 0.00 61.98 58.96 1gjx s VAL 73 Cb 0.00 -1.10 -0.02 0.00 0.56 0.00 0.00 36.38 35.82 1gjx s VAL 73 CO 0.00 -0.13 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.82 1gjx s VAL 74 N -1.12 2.89 0.49 1.32 1.01 -1.21 0.15 120.40 123.93 1gjx s VAL 74 Ca 0.00 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1gjx s VAL 74 Cb -0.09 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 1gjx s VAL 74 CO 0.02 0.56 0.03 0.68 0.00 0.00 0.00 175.10 176.38 1gjx s VAL 75 N -0.10 1.11 0.04 2.92 -7.23 0.20 0.15 120.40 117.48 1gjx s VAL 75 Ca -0.02 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.15 1gjx s VAL 75 Cb -0.14 -2.24 -0.26 0.00 0.56 0.00 0.00 36.38 34.30 1gjx s VAL 75 CO 0.04 0.00 1.01 -0.08 -0.31 0.00 0.00 175.10 175.76 1gjx h GLU 76 N 1.46 0.17 -1.45 4.82 4.81 0.15 0.30 114.58 124.83 1gjx h GLU 76 Ca -0.42 -0.29 -0.21 0.00 -0.13 0.00 0.00 59.36 58.32 1gjx h GLU 76 Cb 1.30 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.78 1gjx h GLU 76 CO 0.71 1.05 -0.26 0.00 -0.73 0.00 0.00 179.01 179.78 1gjx n ALA 77 N -2.54 -0.30 0.00 2.92 0.00 -1.18 -2.88 120.51 116.53 1gjx n ALA 77 Ca -0.10 0.08 -0.04 0.00 0.00 0.00 0.00 53.44 53.38 1gjx n ALA 77 Cb 1.01 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 19.10 1gjx n ALA 77 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1gjx h GLU 78 N 0.00 -0.17 -6.07 0.00 4.81 -1.86 -3.42 114.58 107.87 1gjx h GLU 78 Ca -0.24 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1gjx h GLU 78 Cb 1.17 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1gjx h GLU 78 CO 0.29 -0.11 -0.85 0.41 -0.73 0.00 0.00 179.01 178.01 1gjx n GLY 79 N -1.12 -0.95 3.00 1.92 0.00 -1.26 -4.79 105.19 101.98 1gjx n GLY 79 Ca -0.02 0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1gjx n GLY 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1gjx s THR 80 N -0.91 2.26 -1.93 2.61 -4.23 -1.26 -4.97 115.64 107.21 1gjx s THR 80 Ca -0.01 -2.46 0.15 0.00 -1.18 0.00 0.00 61.69 58.19 1gjx s THR 80 Cb 0.00 -2.66 0.12 0.00 1.34 0.00 0.00 72.50 71.30 1gjx s THR 80 CO 0.16 -0.63 0.99 0.00 -0.54 0.00 0.00 174.62 174.60