#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 1.70 0.11 0.00 1.43 -1.26 -3.14 118.68 117.53 1gjx s LEU 2 Ca 0.00 -1.67 -0.25 0.00 -1.03 0.00 0.00 54.13 51.18 1gjx s LEU 2 Cb 0.00 0.38 0.08 0.00 0.03 0.00 0.00 46.19 46.68 1gjx s LEU 2 CO 0.00 -0.99 0.67 -0.69 0.23 0.00 0.00 176.35 175.57 1gjx s VAL 3 N -3.52 0.00 -0.35 -1.59 1.01 0.31 -4.58 120.40 111.67 1gjx s VAL 3 Ca 0.37 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.36 1gjx s VAL 3 Cb 0.03 -1.00 0.11 0.00 0.00 0.00 0.00 36.38 35.52 1gjx s VAL 3 CO 0.22 0.00 0.13 -1.61 0.00 0.00 0.00 175.10 173.84 1gjx s GLU 4 N -3.51 1.01 1.06 2.72 8.01 -1.26 0.43 118.70 127.15 1gjx s GLU 4 Ca 0.01 -1.47 -0.12 0.00 0.01 0.00 0.00 54.97 53.40 1gjx s GLU 4 Cb -0.01 -2.29 0.21 0.00 -4.31 0.00 0.00 34.13 27.73 1gjx s GLU 4 CO -0.11 -1.03 0.99 1.28 0.01 0.00 0.00 175.26 176.40 1gjx n LEU 5 N 4.38 0.57 -4.15 1.80 4.77 0.33 -4.88 117.00 119.81 1gjx n LEU 5 Ca 0.02 0.11 -0.13 0.00 -0.03 0.00 0.00 56.01 55.98 1gjx n LEU 5 Cb 0.40 -1.34 -0.08 0.00 -2.33 0.00 0.00 43.42 40.07 1gjx n LEU 5 CO 0.17 -2.83 -0.07 -0.54 -1.33 0.00 0.00 177.39 172.78 1gjx s LYS 6 N -4.41 1.45 0.29 3.23 1.02 -1.26 -2.20 119.74 117.86 1gjx s LYS 6 Ca 0.67 -1.61 -0.29 0.00 0.02 0.00 0.00 55.97 54.75 1gjx s LYS 6 Cb -0.24 0.35 -0.10 0.00 -0.52 0.00 0.00 37.83 37.32 1gjx s LYS 6 CO 0.62 -0.54 1.14 0.08 -0.92 0.00 0.00 175.35 175.74 1gjx s VAL 7 N -3.88 3.33 0.00 3.17 1.01 -1.26 -4.78 120.40 117.98 1gjx s VAL 7 Ca 0.34 1.34 0.00 0.00 0.00 0.00 0.00 61.98 63.66 1gjx s VAL 7 Cb 0.04 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1gjx s VAL 7 CO 0.15 0.32 0.00 -0.81 0.00 0.00 0.00 175.10 174.75 1gjx n PRO 8 N 1.10 -0.81 0.02 2.72 -0.04 -1.26 -3.14 135.00 133.60 1gjx n PRO 8 Ca -0.01 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.56 1gjx n PRO 8 Cb 0.44 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 33.97 1gjx n PRO 8 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1gjx n ASP 9 N -2.04 0.63 -2.51 3.54 2.03 -1.26 -3.60 116.55 113.34 1gjx n ASP 9 Ca 0.00 -0.25 -0.12 0.00 0.52 0.00 0.00 54.79 54.94 1gjx n ASP 9 Cb 0.00 0.64 -0.02 0.00 -0.72 0.00 0.00 41.12 41.02 1gjx n ASP 9 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1gjx n ILE 10 N -1.85 0.00 -3.32 5.18 -6.64 -1.26 -0.74 119.36 110.73 1gjx n ILE 10 Ca 0.03 0.00 -0.18 0.00 -1.77 0.00 0.00 62.75 60.83 1gjx n ILE 10 Cb 0.41 -0.13 -0.03 0.00 -1.44 0.00 0.00 39.64 38.44 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 -0.55 -0.45 0.00 3.28 0.00 -1.26 -4.46 105.19 101.74 1gjx n GLY 11 Ca 0.03 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.73 3.19 0.00 -0.02 0.00 0.08 -4.72 105.19 103.00 1gjx n GLY 12 Ca 0.05 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.43 1.61 1.44 -1.26 -5.11 115.22 107.47 1gjx n HIS 13 Ca 0.00 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.48 1gjx n HIS 13 Cb 0.00 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.03 1gjx n HIS 13 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 1gjx s GLU 14 N 0.00 1.82 -0.05 -1.40 2.02 -1.26 -4.09 118.70 115.73 1gjx s GLU 14 Ca 0.00 -2.08 -0.01 0.00 0.02 0.00 0.00 54.97 52.89 1gjx s GLU 14 Cb 0.00 -0.32 0.01 0.00 0.10 0.00 0.00 34.13 33.92 1gjx s GLU 14 CO 0.00 -0.50 0.03 0.27 0.02 0.00 0.00 175.26 175.08 1gjx n ASN 15 N -1.26 -6.46 -3.72 -0.19 6.94 -1.26 -4.95 115.26 104.37 1gjx n ASN 15 Ca -0.02 0.84 -0.13 0.00 -0.02 0.00 0.00 54.58 55.25 1gjx n ASN 15 Cb 0.64 -2.38 -0.09 0.00 -2.36 0.00 0.00 39.78 35.59 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 -0.64 0.00 -0.01 3.53 -7.23 0.48 -4.92 120.40 111.61 1gjx s VAL 16 Ca -0.03 -0.04 -0.28 0.00 -1.81 0.00 0.00 61.98 59.82 1gjx s VAL 16 Cb 0.00 -0.64 -0.03 0.00 0.56 0.00 0.00 36.38 36.27 1gjx s VAL 16 CO 0.17 -0.02 0.89 -1.81 -0.31 0.00 0.00 175.10 174.03 1gjx s ASP 17 N 0.08 7.26 1.01 4.85 1.01 -1.24 0.17 116.67 129.81 1gjx s ASP 17 Ca -0.01 1.52 -0.11 0.00 0.71 0.00 0.00 52.55 54.66 1gjx s ASP 17 Cb -0.03 -2.52 0.20 0.00 1.01 0.00 0.00 42.92 41.57 1gjx s ASP 17 CO 0.01 -0.20 1.09 -0.63 0.21 0.00 0.00 175.17 175.65 1gjx s ILE 18 N 0.88 2.18 0.00 0.77 1.01 -0.75 -3.41 121.20 121.87 1gjx s ILE 18 Ca 0.47 0.06 0.00 0.00 0.00 0.00 0.00 60.65 61.18 1gjx s ILE 18 Cb -0.20 -2.19 0.00 0.00 0.01 0.00 0.00 42.46 40.08 1gjx s ILE 18 CO 0.25 -0.08 0.00 2.30 0.00 0.00 0.00 174.94 177.41 1gjx n ILE 19 N -4.45 0.00 -3.85 2.92 -5.35 0.47 -3.98 119.36 105.13 1gjx n ILE 19 Ca 0.07 -0.22 -0.09 0.00 -0.27 0.00 0.00 62.75 62.24 1gjx n ILE 19 Cb 0.54 0.83 -0.08 0.00 -1.74 0.00 0.00 39.64 39.19 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 -0.74 -0.28 -0.14 -1.28 0.00 -0.11 -4.78 121.76 114.43 1gjx s ALA 20 Ca 0.00 -0.50 -0.06 0.00 0.00 0.00 0.00 51.96 51.40 1gjx s ALA 20 Cb 0.00 0.42 0.06 0.00 0.00 0.00 0.00 23.12 23.60 1gjx s ALA 20 CO 0.00 -0.46 0.32 0.54 0.00 0.00 0.00 175.76 176.15 1gjx s VAL 21 N -3.43 -0.32 -0.32 0.00 0.11 -1.26 -3.92 120.40 111.26 1gjx s VAL 21 Ca 0.02 0.20 0.16 0.00 -2.93 0.00 0.00 61.98 59.43 1gjx s VAL 21 Cb 0.03 -0.50 0.45 0.00 -1.53 0.00 0.00 36.38 34.82 1gjx s VAL 21 CO -0.09 0.08 1.23 -0.62 -3.33 0.00 0.00 175.10 172.38 1gjx n GLU 22 N 4.93 1.39 -3.78 1.54 1.02 -0.31 -4.97 120.64 120.45 1gjx n GLU 22 Ca -0.14 -2.53 -0.23 0.00 -0.02 0.00 0.00 57.16 54.25 1gjx n GLU 22 Cb 0.51 -0.69 -0.17 0.00 -0.02 0.00 0.00 31.44 31.07 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 -1.84 0.41 -0.01 2.62 -7.23 -1.26 -4.88 120.40 108.21 1gjx s VAL 23 Ca 0.21 0.10 0.01 0.00 -1.81 0.00 0.00 61.98 60.49 1gjx s VAL 23 Cb 0.40 -0.56 0.02 0.00 0.56 0.00 0.00 36.38 36.80 1gjx s VAL 23 CO -0.05 0.26 0.81 -3.20 -0.31 0.00 0.00 175.10 172.61 1gjx n ASN 24 N 5.12 1.12 -2.28 4.85 5.15 -1.26 -4.96 115.26 123.00 1gjx n ASN 24 Ca -0.08 -1.65 0.00 0.00 -0.60 0.00 0.00 54.58 52.25 1gjx n ASN 24 Cb 0.50 -0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.72 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 -0.33-13.03 0.00 3.44 0.31 -1.26 -4.88 118.33 102.58 1gjx n VAL 25 Ca 0.01 3.15 0.00 0.00 -0.01 0.00 0.00 64.34 67.49 1gjx n VAL 25 Cb 0.39 -5.77 0.00 0.00 -0.91 0.00 0.00 33.84 27.56 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 1.90 1.26 3.87 2.92 0.00 -1.13 -4.97 105.19 109.03 1gjx n GLY 26 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.88 6.60 0.03 1.61 2.15 -1.26 -4.90 116.67 120.03 1gjx s ASP 27 Ca 0.00 0.72 -0.30 0.00 0.43 0.00 0.00 52.55 53.39 1gjx s ASP 27 Cb 0.00 -2.15 -0.06 0.00 -0.30 0.00 0.00 42.92 40.41 1gjx s ASP 27 CO 0.00 0.28 1.29 -0.89 -0.17 0.00 0.00 175.17 175.69 1gjx s THR 28 N -1.21 3.85 0.17 1.71 2.01 -1.26 -3.47 115.64 117.43 1gjx s THR 28 Ca 0.25 1.28 0.06 0.00 0.31 0.00 0.00 61.69 63.60 1gjx s THR 28 Cb -0.14 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 1gjx s THR 28 CO 0.14 0.05 0.06 0.27 -0.69 0.00 0.00 174.62 174.45 1gjx s ILE 29 N 1.64 4.06 0.47 1.82 -5.25 0.95 -5.01 121.20 119.87 1gjx s ILE 29 Ca 0.61 -1.27 0.03 0.00 -0.99 0.00 0.00 60.65 59.03 1gjx s ILE 29 Cb -0.31 -3.06 -0.01 0.00 2.95 0.00 0.00 42.46 42.04 1gjx s ILE 29 CO 0.27 -0.11 0.09 0.00 -1.79 0.00 0.00 174.94 173.40 1gjx s ALA 30 N -1.74 3.54 -0.23 2.27 0.00 -1.26 -2.37 121.76 121.98 1gjx s ALA 30 Ca 0.29 -0.70 -0.04 0.00 0.00 0.00 0.00 51.96 51.50 1gjx s ALA 30 Cb -0.10 0.45 -0.05 0.00 0.00 0.00 0.00 23.12 23.42 1gjx s ALA 30 CO 0.21 -0.20 2.97 0.28 0.00 0.00 0.00 175.76 179.01 1gjx n VAL 31 N -1.10 3.04 0.00 0.00 0.31 0.13 -3.54 118.33 117.18 1gjx n VAL 31 Ca -0.13 -2.09 0.00 0.00 -0.01 0.00 0.00 64.34 62.11 1gjx n VAL 31 Cb 0.66 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 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 1.49 0.00 -3.22 4.52 5.68 -1.08 -4.85 116.55 119.09 1gjx n ASP 32 Ca 0.41 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.68 1gjx n ASP 32 Cb 0.69 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.65 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 -0.80 -0.37 -1.12 -4.77 0.14 -5.00 116.67 104.75 1gjx s ASP 33 Ca 0.00 -0.12 -0.42 0.00 -3.30 0.00 0.00 52.55 48.71 1gjx s ASP 33 Cb 0.00 1.65 -0.17 0.00 -1.09 0.00 0.00 42.92 43.31 1gjx s ASP 33 CO 0.00 -0.31 1.82 0.35 0.70 0.00 0.00 175.17 177.73 1gjx n THR 34 N 5.31 0.18 -0.05 2.11 -2.24 -1.25 -2.58 114.28 115.77 1gjx n THR 34 Ca 0.04 -0.06 -0.21 0.00 -2.27 0.00 0.00 64.05 61.54 1gjx n THR 34 Cb 0.52 -1.02 -0.13 0.00 -2.10 0.00 0.00 70.33 67.60 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 5.90 2.52 0.00 3.22 4.77 0.48 -4.89 117.00 129.00 1gjx n LEU 35 Ca 0.33 0.19 -0.08 0.00 -0.03 0.00 0.00 56.01 56.42 1gjx n LEU 35 Cb 0.08 -1.03 -0.02 0.00 -2.33 0.00 0.00 43.42 40.12 1gjx n LEU 35 CO 0.83 0.75 0.10 2.30 -1.33 0.00 0.00 177.39 180.04 1gjx n ILE 36 N -3.66 0.00 -3.68 -0.08 -6.64 -1.23 -1.17 119.36 102.89 1gjx n ILE 36 Ca -0.36 -0.98 -0.11 0.00 -1.77 0.00 0.00 62.75 59.52 1gjx n ILE 36 Cb 0.96 0.61 -0.12 0.00 -1.44 0.00 0.00 39.64 39.65 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 -2.64 -0.30 0.37 7.28 2.01 -1.25 -2.41 115.64 118.69 1gjx s THR 37 Ca 0.16 0.18 0.08 0.00 0.31 0.00 0.00 61.69 62.42 1gjx s THR 37 Cb -0.01 -0.53 -0.05 0.00 0.01 0.00 0.00 72.50 71.93 1gjx s THR 37 CO 0.12 0.07 0.14 -0.76 -0.69 0.00 0.00 174.62 173.50 1gjx s LEU 38 N 1.98 3.15 0.17 4.42 1.02 0.15 0.18 118.68 129.75 1gjx s LEU 38 Ca -0.04 -0.94 -0.24 0.00 0.02 0.00 0.00 54.13 52.93 1gjx s LEU 38 Cb -0.11 -1.55 0.06 0.00 0.02 0.00 0.00 46.19 44.61 1gjx s LEU 38 CO -0.11 -0.40 0.72 -0.70 0.02 0.00 0.00 176.35 175.89 1gjx s GLU 39 N -3.85 1.35 0.09 1.70 2.12 -1.22 0.17 118.70 119.05 1gjx s GLU 39 Ca 0.39 -0.62 0.00 0.00 0.36 0.00 0.00 54.97 55.10 1gjx s GLU 39 Cb 0.01 0.54 0.00 0.00 0.26 0.00 0.00 34.13 34.94 1gjx s GLU 39 CO 0.22 -0.60 0.00 0.25 -0.54 0.00 0.00 175.26 174.59 1gjx n THR 40 N -0.39 0.85 0.00 -1.70 -2.24 -0.85 -3.62 114.28 106.33 1gjx n THR 40 Ca -0.11 0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 1gjx n THR 40 Cb 0.62 -1.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.39 1gjx n THR 40 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1gjx n ASP 41 N -3.37 0.00 -0.00 3.42 9.92 -1.26 -4.90 116.55 120.36 1gjx n ASP 41 Ca 0.00 0.00 0.02 0.00 -0.53 0.00 0.00 54.79 54.28 1gjx n ASP 41 Cb 0.11 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.56 1gjx n ASP 41 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1gjx n LYS 42 N -0.56 0.51 -4.10 -1.24 5.02 -1.26 -5.04 118.16 111.49 1gjx n LYS 42 Ca 0.00 -0.03 -0.14 0.00 -2.02 0.00 0.00 58.31 56.12 1gjx n LYS 42 Cb 0.00 -1.06 -0.12 0.00 -0.02 0.00 0.00 35.03 33.83 1gjx n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1gjx s ALA 43 N -2.19 0.65 -0.02 7.82 0.00 -1.26 -5.11 121.76 121.64 1gjx s ALA 43 Ca -0.01 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.26 1gjx s ALA 43 Cb 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 23.12 23.14 1gjx s ALA 43 CO 0.15 0.03 -0.11 0.95 0.00 0.00 0.00 175.76 176.78 1gjx s THR 44 N -1.17 0.90 0.18 0.00 -4.23 -1.26 -2.00 115.64 108.06 1gjx s THR 44 Ca -0.07 -0.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.99 1gjx s THR 44 Cb -0.09 -0.77 -0.00 0.00 1.34 0.00 0.00 72.50 72.98 1gjx s THR 44 CO 0.01 0.26 0.01 0.23 -0.54 0.00 0.00 174.62 174.58 1gjx n MET 45 N 3.02 1.48 -3.52 3.99 2.81 0.45 -4.86 117.12 120.48 1gjx n MET 45 Ca -0.16 -1.35 -0.08 0.00 -1.81 0.00 0.00 57.70 54.31 1gjx n MET 45 Cb 0.55 0.39 -0.02 0.00 -0.71 0.00 0.00 33.22 33.43 1gjx n MET 45 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 1gjx s ASP 46 N -2.01 -0.32 -0.11 7.83 -4.77 -1.26 0.33 116.67 116.35 1gjx s ASP 46 Ca 0.01 0.03 0.02 0.00 -3.30 0.00 0.00 52.55 49.31 1gjx s ASP 46 Cb 0.00 0.34 0.01 0.00 -1.09 0.00 0.00 42.92 42.18 1gjx s ASP 46 CO 0.01 -0.53 -0.19 -0.69 0.70 0.00 0.00 175.17 174.47 1gjx s VAL 47 N -2.86 1.73 -0.26 2.11 1.01 -1.01 -4.86 120.40 116.26 1gjx s VAL 47 Ca 0.05 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1gjx s VAL 47 Cb -0.01 -1.54 0.28 0.00 0.00 0.00 0.00 36.38 35.10 1gjx s VAL 47 CO -0.08 0.49 1.68 -0.81 0.00 0.00 0.00 175.10 176.38 1gjx n PRO 48 N 3.99 1.69 0.00 2.72 -0.04 -1.26 0.18 135.00 142.28 1gjx n PRO 48 Ca -0.20 -1.50 0.00 0.00 -0.04 0.00 0.00 63.50 61.77 1gjx n PRO 48 Cb 0.52 -1.59 0.00 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 -0.03 0.00 -3.53 0.55 0.00 -1.06 0.26 120.51 116.69 1gjx n ALA 49 Ca 0.29 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.51 1gjx n ALA 49 Cb 0.86 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.37 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 0.00 -3.07 -1.70 0.00 4.07 -1.26 -4.86 120.64 113.82 1gjx n GLU 50 Ca 0.00 0.66 0.00 0.00 -0.06 0.00 0.00 57.16 57.76 1gjx n GLU 50 Cb 0.00 -5.11 0.00 0.00 -0.06 0.00 0.00 31.44 26.27 1gjx n GLU 50 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 1gjx n VAL 51 N -3.91 0.00 -2.82 6.31 0.24 -1.23 -4.99 118.33 111.93 1gjx n VAL 51 Ca -0.16 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.03 1gjx n VAL 51 Cb 0.63 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 33.05 1gjx n VAL 51 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1gjx n ALA 52 N -3.00 -0.55 -2.04 2.33 0.00 -1.26 0.23 120.51 116.22 1gjx n ALA 52 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 53.44 51.66 1gjx n ALA 52 Cb 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.26 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 1.09 3.59 3.16 0.00 0.00 -1.00 0.16 105.19 112.19 1gjx n GLY 53 Ca 0.10 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 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 0.07 1.53 0.39 1.61 1.01 -1.26 -0.04 120.40 123.72 1gjx s VAL 54 Ca 0.00 -0.78 -0.25 0.00 0.00 0.00 0.00 61.98 60.95 1gjx s VAL 54 Cb 0.00 -1.31 -0.09 0.00 0.00 0.00 0.00 36.38 34.99 1gjx s VAL 54 CO 0.00 0.44 1.13 -0.69 0.00 0.00 0.00 175.10 175.98 1gjx s VAL 55 N -0.02 3.32 -0.05 2.92 1.01 -1.23 0.11 120.40 126.46 1gjx s VAL 55 Ca -0.03 1.09 -0.02 0.00 0.00 0.00 0.00 61.98 63.02 1gjx s VAL 55 Cb -0.12 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1gjx s VAL 55 CO 0.02 0.08 -0.06 0.29 0.00 0.00 0.00 175.10 175.44 1gjx n LYS 56 N 0.09 0.11 -3.86 2.72 4.76 0.41 -2.82 118.16 119.56 1gjx n LYS 56 Ca 0.04 0.04 -0.24 0.00 -2.87 0.00 0.00 58.31 55.28 1gjx n LYS 56 Cb 0.47 -0.80 -0.04 0.00 -1.84 0.00 0.00 35.03 32.83 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 -2.09 2.34 -0.29 1.97 2.02 -1.18 -4.84 118.70 116.64 1gjx s GLU 57 Ca -0.07 -1.79 -0.15 0.00 0.02 0.00 0.00 54.97 52.98 1gjx s GLU 57 Cb 0.02 -2.15 0.12 0.00 0.10 0.00 0.00 34.13 32.22 1gjx s GLU 57 CO 0.09 -0.29 0.83 0.54 0.02 0.00 0.00 175.26 176.45 1gjx s VAL 58 N -2.61 -0.11 -0.43 2.63 0.11 -1.24 -3.24 120.40 115.50 1gjx s VAL 58 Ca 0.41 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.52 1gjx s VAL 58 Cb -0.00 -1.00 0.21 0.00 -1.53 0.00 0.00 36.38 34.05 1gjx s VAL 58 CO 0.24 0.00 0.53 0.29 -3.33 0.00 0.00 175.10 172.83 1gjx n LYS 59 N 4.18 0.47 -3.58 1.54 4.01 0.42 -4.95 118.16 120.26 1gjx n LYS 59 Ca -0.18 -2.80 -0.06 0.00 -0.51 0.00 0.00 58.31 54.75 1gjx n LYS 59 Cb 0.57 -1.47 -0.03 0.00 -0.51 0.00 0.00 35.03 33.58 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 -0.08 0.00 0.00 -0.18 0.11 -1.26 -4.50 120.40 114.49 1gjx s VAL 60 Ca 0.33 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.38 1gjx s VAL 60 Cb 0.10 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.95 1gjx s VAL 60 CO -0.15 0.00 0.00 1.17 -3.33 0.00 0.00 175.10 172.79 1gjx n LYS 61 N 0.20 0.00 -3.47 1.54 3.00 -1.26 -4.95 118.16 113.22 1gjx n LYS 61 Ca -0.04 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.91 1gjx n LYS 61 Cb 0.59 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.57 1gjx n LYS 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1gjx n VAL 62 N 0.00 3.38 0.00 3.15 0.31 -1.26 -4.27 118.33 119.63 1gjx n VAL 62 Ca 0.00 -5.30 0.00 0.00 -0.01 0.00 0.00 64.34 59.03 1gjx n VAL 62 Cb 0.00 -2.28 0.00 0.00 -0.91 0.00 0.00 33.84 30.65 1gjx n VAL 62 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1gjx n GLY 63 N 1.84 0.22 3.11 2.92 0.00 -1.26 -5.01 105.19 107.02 1gjx n GLY 63 Ca 0.24 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.39 1.73 -0.36 1.61 -4.77 -1.26 -4.95 116.67 108.27 1gjx s ASP 64 Ca 0.00 -0.27 -0.29 0.00 -3.30 0.00 0.00 52.55 48.69 1gjx s ASP 64 Cb 0.00 -0.28 -0.00 0.00 -1.09 0.00 0.00 42.92 41.55 1gjx s ASP 64 CO 0.00 0.16 1.56 -0.54 0.70 0.00 0.00 175.17 177.05 1gjx s LYS 65 N -0.21 3.53 0.20 2.11 1.02 -1.26 -1.82 119.74 123.32 1gjx s LYS 65 Ca 0.03 1.20 -0.00 0.00 0.02 0.00 0.00 55.97 57.21 1gjx s LYS 65 Cb -0.07 -4.08 -0.04 0.00 -0.52 0.00 0.00 37.83 33.12 1gjx s LYS 65 CO 0.00 -1.62 0.10 0.42 -0.92 0.00 0.00 175.35 173.33 1gjx s ILE 66 N 5.86 0.23 0.16 2.17 1.09 0.45 -4.82 121.20 126.34 1gjx s ILE 66 Ca 0.69 -1.98 -0.15 0.00 -1.10 0.00 0.00 60.65 58.10 1gjx s ILE 66 Cb -0.18 -2.44 0.02 0.00 -1.06 0.00 0.00 42.46 38.80 1gjx s ILE 66 CO 0.32 -0.11 0.41 -0.94 -0.10 0.00 0.00 174.94 174.52 1gjx s SER 67 N -3.19 -0.17 -0.59 3.58 1.04 -1.26 0.18 113.70 113.29 1gjx s SER 67 Ca 0.35 -0.50 -0.39 0.00 0.48 0.00 0.00 55.95 55.89 1gjx s SER 67 Cb 0.07 0.50 -0.18 0.00 0.10 0.00 0.00 66.02 66.51 1gjx s SER 67 CO 0.10 -0.93 2.28 -1.84 0.98 0.00 0.00 173.24 173.84 1gjx n GLU 68 N -0.26 0.19 -0.08 4.02 -0.00 -1.24 -3.34 120.64 119.94 1gjx n GLU 68 Ca -0.12 0.04 0.00 0.00 -0.00 0.00 0.00 57.16 57.08 1gjx n GLU 68 Cb 0.63 -1.70 0.00 0.00 -0.00 0.00 0.00 31.44 30.37 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 7.09 0.75 0.44 -1.84 0.00 -1.19 -4.85 105.19 105.59 1gjx n GLY 69 Ca 0.55 -0.71 0.04 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.05 2.32 4.00 -0.02 0.00 -1.21 -4.85 105.19 105.37 1gjx n GLY 70 Ca 0.00 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.52 -1.18 0.00 0.99 7.94 -1.25 -4.89 117.00 118.10 1gjx n LEU 71 Ca 0.07 -1.20 0.00 0.00 -1.11 0.00 0.00 56.01 53.77 1gjx n LEU 71 Cb 0.72 -1.87 0.00 0.00 0.53 0.00 0.00 43.42 42.80 1gjx n LEU 71 CO -0.00 0.65 0.40 -0.38 -1.11 0.00 0.00 177.39 176.95 1gjx n ILE 72 N -4.72 0.00 -4.13 1.96 5.41 -0.93 -4.47 119.36 112.47 1gjx n ILE 72 Ca -0.16 1.30 -0.15 0.00 1.00 0.00 0.00 62.75 64.75 1gjx n ILE 72 Cb 0.60 -2.05 -0.13 0.00 -0.71 0.00 0.00 39.64 37.35 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 -2.21 0.54 -0.12 1.39 -7.23 -1.26 0.16 120.40 111.67 1gjx s VAL 73 Ca 0.00 -0.70 -0.04 0.00 -1.81 0.00 0.00 61.98 59.43 1gjx s VAL 73 Cb 0.00 -0.53 -0.04 0.00 0.56 0.00 0.00 36.38 36.37 1gjx s VAL 73 CO 0.00 -0.13 0.04 -0.69 -0.31 0.00 0.00 175.10 174.01 1gjx s VAL 74 N -0.78 4.63 0.31 1.32 1.01 -1.20 0.12 120.40 125.80 1gjx s VAL 74 Ca -0.04 -0.12 0.05 0.00 0.00 0.00 0.00 61.98 61.88 1gjx s VAL 74 Cb -0.06 -3.00 -0.06 0.00 0.00 0.00 0.00 36.38 33.25 1gjx s VAL 74 CO 0.00 0.56 0.00 0.68 0.00 0.00 0.00 175.10 176.35 1gjx s VAL 75 N -0.51 1.43 -0.77 2.92 -7.23 0.17 0.15 120.40 116.56 1gjx s VAL 75 Ca 0.10 -2.05 -0.02 0.00 -1.81 0.00 0.00 61.98 58.20 1gjx s VAL 75 Cb -0.12 -2.64 0.39 0.00 0.56 0.00 0.00 36.38 34.57 1gjx s VAL 75 CO 0.02 -0.15 1.98 -0.62 -0.31 0.00 0.00 175.10 176.03 1gjx n GLU 76 N -0.65 2.77 -1.08 4.82 1.02 0.30 0.11 120.64 127.93 1gjx n GLU 76 Ca -0.04 -3.50 -0.36 0.00 -0.02 0.00 0.00 57.16 53.24 1gjx n GLU 76 Cb 0.65 -2.28 -0.01 0.00 -0.02 0.00 0.00 31.44 29.78 1gjx n GLU 76 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1gjx n ALA 77 N -0.66 -2.59 -2.15 0.62 0.00 -1.19 0.47 120.51 115.02 1gjx n ALA 77 Ca 0.56 0.22 -0.09 0.00 0.00 0.00 0.00 53.44 54.14 1gjx n ALA 77 Cb 0.39 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.59 1gjx n ALA 77 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1gjx n GLU 78 N 0.94 -2.13 -1.03 0.00 0.28 0.43 -4.01 120.64 115.12 1gjx n GLU 78 Ca 0.12 0.45 -0.35 0.00 -0.16 0.00 0.00 57.16 57.22 1gjx n GLU 78 Cb 0.26 -4.91 0.09 0.00 1.43 0.00 0.00 31.44 28.31 1gjx n GLU 78 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1gjx n GLY 79 N -0.57 -2.05 0.03 -1.84 0.00 0.18 -4.85 105.19 96.09 1gjx n GLY 79 Ca -0.10 -0.58 -0.02 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.91 0.42 1.89 2.61 5.66 -1.26 -5.07 114.28 115.63 1gjx n THR 80 Ca 0.07 -0.29 0.16 0.00 -3.05 0.00 0.00 64.05 60.94 1gjx n THR 80 Cb 0.52 -0.60 0.86 0.00 -1.55 0.00 0.00 70.33 69.56 1gjx n THR 80 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02