#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 2.23 0.21 0.00 1.43 -1.10 -4.21 118.68 117.23 1gjx s LEU 2 Ca 0.00 0.76 0.06 0.00 -1.03 0.00 0.00 54.13 53.92 1gjx s LEU 2 Cb 0.00 -3.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.11 1gjx s LEU 2 CO 0.00 -2.45 -0.09 -0.69 0.23 0.00 0.00 176.35 173.35 1gjx s VAL 3 N -3.47 1.45 -0.49 -1.59 1.01 0.39 -4.91 120.40 112.79 1gjx s VAL 3 Ca 0.65 -2.12 0.03 0.00 0.00 0.00 0.00 61.98 60.54 1gjx s VAL 3 Cb -0.11 -2.14 0.13 0.00 0.00 0.00 0.00 36.38 34.26 1gjx s VAL 3 CO 0.52 -0.51 0.25 -1.61 0.00 0.00 0.00 175.10 173.75 1gjx s GLU 4 N -3.73 1.67 0.63 2.72 2.02 -1.26 -1.71 118.70 119.04 1gjx s GLU 4 Ca 0.24 -2.36 -0.17 0.00 0.02 0.00 0.00 54.97 52.70 1gjx s GLU 4 Cb 0.02 -2.88 -0.06 0.00 0.10 0.00 0.00 34.13 31.31 1gjx s GLU 4 CO 0.07 -1.13 0.58 1.28 0.02 0.00 0.00 175.26 176.08 1gjx n LEU 5 N 3.29 1.20 -3.98 1.80 7.99 0.46 -4.87 117.00 122.90 1gjx n LEU 5 Ca 0.07 0.69 -0.09 0.00 -0.01 0.00 0.00 56.01 56.67 1gjx n LEU 5 Cb 0.33 -1.22 -0.11 0.00 -0.11 0.00 0.00 43.42 42.32 1gjx n LEU 5 CO 0.30 -2.92 -0.35 -0.54 -1.51 0.00 0.00 177.39 172.37 1gjx s LYS 6 N -2.41 0.33 0.30 3.23 1.02 -1.26 -2.08 119.74 118.87 1gjx s LYS 6 Ca 0.69 -0.61 -0.27 0.00 0.02 0.00 0.00 55.97 55.79 1gjx s LYS 6 Cb -0.41 0.12 -0.14 0.00 -0.52 0.00 0.00 37.83 36.88 1gjx s LYS 6 CO 0.54 -0.05 0.86 0.28 -0.92 0.00 0.00 175.35 176.06 1gjx n VAL 7 N 1.56 2.00 -0.44 3.17 0.31 -1.26 -4.88 118.33 118.79 1gjx n VAL 7 Ca -0.24 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.59 1gjx n VAL 7 Cb 0.55 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 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 0.70 -0.13 -3.12 5.55 -0.04 -1.26 -4.33 135.00 132.37 1gjx n PRO 8 Ca 0.11 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.13 1gjx n PRO 8 Cb 0.32 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.79 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 -2.01 5.44 -3.01 3.54 8.00 -1.26 -4.73 116.55 122.53 1gjx n ASP 9 Ca 0.00 -3.04 -0.33 0.00 0.71 0.00 0.00 54.79 52.13 1gjx n ASP 9 Cb 0.00 -1.45 -0.06 0.00 -0.02 0.00 0.00 41.12 39.59 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 3.39 4.13 0.00 0.53 -6.64 -1.26 -4.60 119.36 114.91 1gjx n ILE 10 Ca 0.30 -2.64 0.00 0.00 -1.77 0.00 0.00 62.75 58.64 1gjx n ILE 10 Cb 0.40 -2.34 0.00 0.00 -1.44 0.00 0.00 39.64 36.26 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 2.91 1.23 0.00 3.28 0.00 -1.26 -4.52 105.19 106.83 1gjx n GLY 11 Ca 0.67 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 0.00 3.55 -0.02 0.00 -1.26 -5.12 105.19 102.34 1gjx n GLY 12 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1gjx n GLY 12 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1gjx s HIS 13 N 0.00 0.97 0.00 1.61 0.00 -1.26 -5.19 115.29 111.43 1gjx s HIS 13 Ca 0.00 -1.27 0.00 0.00 -3.00 0.00 0.00 55.06 50.79 1gjx s HIS 13 Cb 0.00 0.07 0.00 0.00 -4.00 0.00 0.00 32.58 28.65 1gjx s HIS 13 CO 0.00 -1.26 0.00 0.39 -1.00 0.00 0.00 174.74 172.87 1gjx n GLU 14 N -0.59 1.53 -3.56 -0.38 1.02 -1.26 -4.38 120.64 113.02 1gjx n GLU 14 Ca -0.01 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.95 1gjx n GLU 14 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.03 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 -1.94 -5.75 -2.12 1.62 0.23 0.38 -4.89 115.26 102.79 1gjx n ASN 15 Ca 0.00 -0.63 -0.03 0.00 -0.53 0.00 0.00 54.58 53.39 1gjx n ASN 15 Cb 0.00 -2.71 -0.01 0.00 -2.08 0.00 0.00 39.78 34.98 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 -2.15 0.00 -4.25 3.53 0.24 -0.04 -4.83 118.33 110.84 1gjx n VAL 16 Ca -0.21 -0.20 -0.27 0.00 -2.04 0.00 0.00 64.34 61.63 1gjx n VAL 16 Cb 0.64 0.05 -0.17 0.00 -1.47 0.00 0.00 33.84 32.89 1gjx n VAL 16 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1gjx s ASP 17 N -1.23 2.11 1.02 -1.34 -1.08 -1.20 -1.53 116.67 113.41 1gjx s ASP 17 Ca 0.00 -0.34 -0.11 0.00 -0.52 0.00 0.00 52.55 51.59 1gjx s ASP 17 Cb 0.00 -0.90 0.20 0.00 -1.46 0.00 0.00 42.92 40.76 1gjx s ASP 17 CO 0.00 -0.04 1.10 -0.63 0.52 0.00 0.00 175.17 176.12 1gjx s ILE 18 N 1.19 2.08 0.00 4.11 1.01 -1.21 -3.15 121.20 125.24 1gjx s ILE 18 Ca -0.04 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.64 1gjx s ILE 18 Cb -0.14 -2.08 0.00 0.00 0.01 0.00 0.00 42.46 40.25 1gjx s ILE 18 CO -0.03 -0.04 0.00 2.30 0.00 0.00 0.00 174.94 177.18 1gjx n ILE 19 N -4.51 0.00 -3.76 2.92 -5.35 0.47 -3.90 119.36 105.23 1gjx n ILE 19 Ca 0.08 -0.23 -0.12 0.00 -0.27 0.00 0.00 62.75 62.22 1gjx n ILE 19 Cb 0.53 0.82 -0.07 0.00 -1.74 0.00 0.00 39.64 39.17 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 -0.78 -0.67 -0.16 -1.28 0.00 0.13 -4.80 121.76 114.20 1gjx s ALA 20 Ca 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 51.96 51.94 1gjx s ALA 20 Cb 0.00 0.30 0.08 0.00 0.00 0.00 0.00 23.12 23.49 1gjx s ALA 20 CO 0.00 -0.40 0.25 0.54 0.00 0.00 0.00 175.76 176.15 1gjx s VAL 21 N -2.44 -0.39 -0.01 0.00 0.11 -1.26 -3.77 120.40 112.65 1gjx s VAL 21 Ca -0.06 0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 1gjx s VAL 21 Cb -0.01 -0.55 -0.01 0.00 -1.53 0.00 0.00 36.38 34.29 1gjx s VAL 21 CO -0.03 -0.02 0.00 -0.62 -3.33 0.00 0.00 175.10 171.11 1gjx n GLU 22 N 5.34 3.64 -1.92 1.54 -0.58 -0.54 -4.99 120.64 123.13 1gjx n GLU 22 Ca -0.06 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.26 1gjx n GLU 22 Cb 0.50 -1.01 -0.03 0.00 -0.57 0.00 0.00 31.44 30.32 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 -2.01 2.67 -0.00 2.62 -7.23 -1.25 -4.87 120.40 110.32 1gjx s VAL 23 Ca -0.00 0.43 0.00 0.00 -1.81 0.00 0.00 61.98 60.60 1gjx s VAL 23 Cb 0.00 -3.28 0.00 0.00 0.56 0.00 0.00 36.38 33.67 1gjx s VAL 23 CO 0.02 0.03 0.65 0.59 -0.31 0.00 0.00 175.10 176.08 1gjx n ASN 24 N 4.28 0.05 -1.94 4.85 4.13 -1.26 -5.00 115.26 120.38 1gjx n ASN 24 Ca 0.14 -1.30 0.00 0.00 1.68 0.00 0.00 54.58 55.10 1gjx n ASN 24 Cb 0.39 -0.06 0.00 0.00 -1.54 0.00 0.00 39.78 38.57 1gjx n ASN 24 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1gjx n VAL 25 N -0.02-12.30 0.00 2.41 0.31 -1.26 -4.85 118.33 102.62 1gjx n VAL 25 Ca 0.00 3.02 0.00 0.00 -0.01 0.00 0.00 64.34 67.35 1gjx n VAL 25 Cb 0.55 -5.26 0.00 0.00 -0.91 0.00 0.00 33.84 28.22 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 1.68 1.06 3.84 2.92 0.00 -0.75 -4.98 105.19 108.97 1gjx n GLY 26 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.03 5.96 -0.57 1.61 1.11 -1.26 -4.92 116.67 116.57 1gjx s ASP 27 Ca 0.00 0.17 -0.27 0.00 0.18 0.00 0.00 52.55 52.63 1gjx s ASP 27 Cb 0.00 -1.75 0.03 0.00 1.07 0.00 0.00 42.92 42.27 1gjx s ASP 27 CO 0.00 0.21 1.12 -0.89 1.18 0.00 0.00 175.17 176.79 1gjx s THR 28 N -1.37 4.13 0.28 -1.27 2.01 -1.26 -3.39 115.64 114.76 1gjx s THR 28 Ca 0.29 0.74 -0.04 0.00 0.31 0.00 0.00 61.69 62.99 1gjx s THR 28 Cb -0.12 -4.67 -0.05 0.00 0.01 0.00 0.00 72.50 67.67 1gjx s THR 28 CO 0.21 -1.26 0.52 0.27 -0.69 0.00 0.00 174.62 173.67 1gjx s ILE 29 N 4.65 5.07 0.37 1.82 -4.36 -0.51 -5.00 121.20 123.25 1gjx s ILE 29 Ca 0.39 -0.07 0.01 0.00 -0.26 0.00 0.00 60.65 60.73 1gjx s ILE 29 Cb -0.09 -3.74 -0.00 0.00 1.25 0.00 0.00 42.46 39.87 1gjx s ILE 29 CO 0.24 -0.31 0.05 0.00 0.24 0.00 0.00 174.94 175.15 1gjx n ALA 30 N -0.95 0.39 -1.15 2.27 0.00 -1.16 -2.71 120.51 117.19 1gjx n ALA 30 Ca -0.03 -1.76 -0.21 0.00 0.00 0.00 0.00 53.44 51.44 1gjx n ALA 30 Cb 0.54 1.05 -0.00 0.00 0.00 0.00 0.00 19.45 21.04 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 -0.90 3.03 0.00 0.00 0.31 -1.05 -3.21 118.33 116.52 1gjx n VAL 31 Ca -0.12 -2.23 0.00 0.00 -0.01 0.00 0.00 64.34 61.98 1gjx n VAL 31 Cb 0.50 -1.44 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 0.54 0.00 -3.66 4.52 5.68 -1.14 -4.77 116.55 117.72 1gjx n ASP 32 Ca 0.39 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.56 1gjx n ASP 32 Cb 0.58 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.43 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 0.20 -0.17 -1.12 -4.77 0.44 -4.93 116.67 106.31 1gjx s ASP 33 Ca 0.00 0.69 -0.32 0.00 -3.30 0.00 0.00 52.55 49.62 1gjx s ASP 33 Cb 0.00 0.88 -0.09 0.00 -1.09 0.00 0.00 42.92 42.62 1gjx s ASP 33 CO 0.00 -0.24 2.06 0.35 0.70 0.00 0.00 175.17 178.04 1gjx n THR 34 N 5.36 0.45 -0.02 2.11 -2.24 -1.25 -1.78 114.28 116.91 1gjx n THR 34 Ca -0.07 -0.25 -0.22 0.00 -2.27 0.00 0.00 64.05 61.25 1gjx n THR 34 Cb 0.50 -2.10 -0.13 0.00 -2.10 0.00 0.00 70.33 66.50 1gjx n THR 34 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1gjx h LEU 35 N 11.85 0.30 0.00 3.22 3.38 0.17 -3.47 115.31 130.76 1gjx h LEU 35 Ca -0.42 -0.81 -0.17 0.00 0.09 0.00 0.00 57.88 56.57 1gjx h LEU 35 Cb 1.27 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 1gjx h LEU 35 CO 0.97 1.69 -0.00 2.30 0.09 0.00 0.00 178.44 183.48 1gjx n ILE 36 N -3.87 0.00 -3.67 1.22 -6.64 -1.24 -1.46 119.36 103.70 1gjx n ILE 36 Ca -0.30 -1.32 -0.16 0.00 -1.77 0.00 0.00 62.75 59.20 1gjx n ILE 36 Cb 0.91 0.93 -0.15 0.00 -1.44 0.00 0.00 39.64 39.89 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 -2.58 -0.28 0.36 7.28 2.01 -1.25 -1.62 115.64 119.57 1gjx s THR 37 Ca 0.21 0.33 0.08 0.00 0.31 0.00 0.00 61.69 62.62 1gjx s THR 37 Cb -0.02 -0.32 -0.04 0.00 0.01 0.00 0.00 72.50 72.12 1gjx s THR 37 CO 0.16 0.14 0.15 -0.76 -0.69 0.00 0.00 174.62 173.62 1gjx s LEU 38 N 2.23 3.21 -0.00 4.42 1.02 0.28 0.18 118.68 130.01 1gjx s LEU 38 Ca 0.02 -0.87 -0.29 0.00 0.02 0.00 0.00 54.13 53.01 1gjx s LEU 38 Cb -0.12 -1.65 0.10 0.00 0.02 0.00 0.00 46.19 44.55 1gjx s LEU 38 CO -0.06 -0.37 0.95 -0.70 0.02 0.00 0.00 176.35 176.19 1gjx s GLU 39 N -3.86 0.80 0.09 1.70 2.12 -1.19 0.16 118.70 118.51 1gjx s GLU 39 Ca 0.39 -0.33 0.00 0.00 0.36 0.00 0.00 54.97 55.39 1gjx s GLU 39 Cb -0.01 0.34 0.00 0.00 0.26 0.00 0.00 34.13 34.73 1gjx s GLU 39 CO 0.23 -0.35 0.00 0.25 -0.54 0.00 0.00 175.26 174.84 1gjx n THR 40 N -0.27 1.02 0.00 -1.70 -2.24 -0.90 -3.27 114.28 106.92 1gjx n THR 40 Ca -0.07 0.34 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 1gjx n THR 40 Cb 0.61 -1.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 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 -3.42 0.00 -0.00 3.42 9.92 -1.26 -4.90 116.55 120.32 1gjx n ASP 41 Ca 0.00 0.00 0.03 0.00 -0.53 0.00 0.00 54.79 54.29 1gjx n ASP 41 Cb 0.08 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.52 1gjx n ASP 41 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1gjx n LYS 42 N -0.32 3.50 -3.82 -1.24 -0.00 -1.26 -5.01 118.16 110.01 1gjx n LYS 42 Ca 0.00 -0.02 -0.13 0.00 -0.00 0.00 0.00 58.31 58.17 1gjx n LYS 42 Cb 0.00 -0.92 -0.14 0.00 -0.00 0.00 0.00 35.03 33.97 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 -1.89 -0.19 -0.11 0.58 0.00 -1.26 -5.06 121.76 113.82 1gjx s ALA 43 Ca 0.01 0.30 0.03 0.00 0.00 0.00 0.00 51.96 52.31 1gjx s ALA 43 Cb 0.05 -0.19 0.01 0.00 0.00 0.00 0.00 23.12 22.99 1gjx s ALA 43 CO 0.30 -0.06 -0.22 0.95 0.00 0.00 0.00 175.76 176.73 1gjx s THR 44 N 0.29 1.96 0.00 0.00 -4.23 -1.26 -2.12 115.64 110.28 1gjx s THR 44 Ca -0.02 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 1gjx s THR 44 Cb -0.03 -1.71 0.00 0.00 1.34 0.00 0.00 72.50 72.09 1gjx s THR 44 CO -0.01 0.53 0.00 0.23 -0.54 0.00 0.00 174.62 174.83 1gjx n MET 45 N 3.77 2.74 -3.70 3.99 2.81 0.43 -4.95 117.12 122.20 1gjx n MET 45 Ca -0.20 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 55.73 1gjx n MET 45 Cb 0.52 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.04 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 -0.26 -0.01 -0.19 7.83 1.47 -1.26 -0.56 116.67 123.69 1gjx s ASP 46 Ca 0.00 -0.03 0.00 0.00 1.18 0.00 0.00 52.55 53.70 1gjx s ASP 46 Cb 0.00 0.03 0.05 0.00 -0.34 0.00 0.00 42.92 42.65 1gjx s ASP 46 CO 0.00 -0.05 -0.07 -0.69 0.68 0.00 0.00 175.17 175.04 1gjx s VAL 47 N -2.05 1.39 -0.24 2.11 1.01 -0.64 -4.70 120.40 117.27 1gjx s VAL 47 Ca 0.20 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1gjx s VAL 47 Cb 0.05 -1.56 0.34 0.00 0.00 0.00 0.00 36.38 35.21 1gjx s VAL 47 CO -0.05 0.08 1.51 -0.81 0.00 0.00 0.00 175.10 175.83 1gjx n PRO 48 N 4.76 1.66 -1.30 2.72 -0.04 -1.26 0.19 135.00 141.73 1gjx n PRO 48 Ca -0.13 -1.56 0.15 0.00 -0.04 0.00 0.00 63.50 61.92 1gjx n PRO 48 Cb 0.46 -1.61 -0.07 0.00 -0.04 0.00 0.00 33.50 32.24 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 -0.31 -3.42 -2.69 0.55 0.00 -0.74 0.16 120.51 114.07 1gjx n ALA 49 Ca 0.31 0.70 -0.05 0.00 0.00 0.00 0.00 53.44 54.40 1gjx n ALA 49 Cb 1.07 -1.36 0.12 0.00 0.00 0.00 0.00 19.45 19.28 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 -4.04 1.23 -3.59 0.00 2.13 -1.25 -4.02 120.64 111.10 1gjx n GLU 50 Ca -0.06 -1.54 -0.04 0.00 0.66 0.00 0.00 57.16 56.17 1gjx n GLU 50 Cb 0.61 0.14 -0.02 0.00 0.27 0.00 0.00 31.44 32.44 1gjx n GLU 50 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1gjx s VAL 51 N 0.17 0.00 -0.58 6.31 -7.23 -1.20 -4.93 120.40 112.95 1gjx s VAL 51 Ca 0.16 -0.06 0.04 0.00 -1.81 0.00 0.00 61.98 60.31 1gjx s VAL 51 Cb 0.41 -1.18 0.14 0.00 0.56 0.00 0.00 36.38 36.31 1gjx s VAL 51 CO -0.10 0.00 0.34 0.00 -0.31 0.00 0.00 175.10 175.03 1gjx s ALA 52 N -2.61 3.40 0.00 1.32 0.00 -1.26 -2.53 121.76 120.08 1gjx s ALA 52 Ca 0.09 -3.43 0.00 0.00 0.00 0.00 0.00 51.96 48.62 1gjx s ALA 52 Cb -0.00 -2.14 0.00 0.00 0.00 0.00 0.00 23.12 20.97 1gjx s ALA 52 CO -0.05 -2.05 0.00 0.41 0.00 0.00 0.00 175.76 174.07 1gjx n GLY 53 N 2.74 3.63 3.09 0.00 0.00 -1.10 0.21 105.19 113.76 1gjx n GLY 53 Ca 0.10 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.01 0.99 0.24 1.61 1.01 -1.26 -1.42 120.40 121.57 1gjx s VAL 54 Ca 0.00 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 1gjx s VAL 54 Cb 0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 36.38 35.45 1gjx s VAL 54 CO 0.00 0.25 1.03 -0.69 0.00 0.00 0.00 175.10 175.69 1gjx s VAL 55 N -0.35 3.81 -0.17 2.92 1.01 -1.22 0.14 120.40 126.54 1gjx s VAL 55 Ca 0.04 1.78 -0.07 0.00 0.00 0.00 0.00 61.98 63.73 1gjx s VAL 55 Cb -0.05 -4.13 -0.08 0.00 0.00 0.00 0.00 36.38 32.12 1gjx s VAL 55 CO -0.00 0.41 -0.21 0.29 0.00 0.00 0.00 175.10 175.58 1gjx n LYS 56 N 1.52 0.37 -4.04 2.72 5.02 0.42 -1.82 118.16 122.35 1gjx n LYS 56 Ca -0.01 0.15 -0.23 0.00 -2.02 0.00 0.00 58.31 56.20 1gjx n LYS 56 Cb 0.46 -1.14 -0.06 0.00 -0.02 0.00 0.00 35.03 34.27 1gjx n LYS 56 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1gjx s GLU 57 N -2.32 2.39 -0.25 1.97 2.02 -1.22 -4.83 118.70 116.47 1gjx s GLU 57 Ca -0.24 -1.57 -0.05 0.00 0.02 0.00 0.00 54.97 53.14 1gjx s GLU 57 Cb 0.09 -2.19 0.13 0.00 0.10 0.00 0.00 34.13 32.26 1gjx s GLU 57 CO 0.31 0.06 0.48 0.54 0.02 0.00 0.00 175.26 176.67 1gjx s VAL 58 N -2.44 -0.77 -0.55 2.63 0.11 -1.25 -2.92 120.40 115.20 1gjx s VAL 58 Ca 0.39 0.03 0.06 0.00 -2.93 0.00 0.00 61.98 59.53 1gjx s VAL 58 Cb -0.02 -0.84 0.21 0.00 -1.53 0.00 0.00 36.38 34.21 1gjx s VAL 58 CO 0.23 -0.02 0.54 0.29 -3.33 0.00 0.00 175.10 172.82 1gjx n LYS 59 N 5.40 1.42 -3.61 1.54 5.02 0.45 -4.96 118.16 123.42 1gjx n LYS 59 Ca -0.06 -3.97 -0.05 0.00 -2.02 0.00 0.00 58.31 52.21 1gjx n LYS 59 Cb 0.50 -1.90 -0.04 0.00 -0.02 0.00 0.00 35.03 33.57 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 -1.37 0.00 -0.29 -0.18 0.11 -1.26 -4.31 120.40 113.10 1gjx s VAL 60 Ca 0.33 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.22 1gjx s VAL 60 Cb 0.08 -1.00 0.17 0.00 -1.53 0.00 0.00 36.38 34.10 1gjx s VAL 60 CO -0.12 0.00 1.07 -1.59 -3.33 0.00 0.00 175.10 171.14 1gjx s LYS 61 N -1.16 0.26 -0.70 1.54 0.00 -1.26 -4.99 119.74 113.42 1gjx s LYS 61 Ca 0.05 0.47 -0.32 0.00 0.00 0.00 0.00 55.97 56.17 1gjx s LYS 61 Cb -0.01 0.09 -0.16 0.00 0.00 0.00 0.00 37.83 37.75 1gjx s LYS 61 CO -0.04 -0.06 2.48 0.28 0.00 0.00 0.00 175.35 178.01 1gjx n VAL 62 N 3.68 0.01 0.00 1.79 0.31 -1.26 -1.75 118.33 121.11 1gjx n VAL 62 Ca -0.17 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 1gjx n VAL 62 Cb 0.57 -1.30 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 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 6.49 1.99 3.69 2.92 0.00 -1.25 -5.02 105.19 114.01 1gjx n GLY 63 Ca 0.53 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.00 3.89 0.06 1.61 -4.77 -0.72 -4.99 116.67 109.75 1gjx s ASP 64 Ca 0.00 -1.57 -0.04 0.00 -3.30 0.00 0.00 52.55 47.64 1gjx s ASP 64 Cb 0.00 0.25 -0.05 0.00 -1.09 0.00 0.00 42.92 42.04 1gjx s ASP 64 CO 0.00 -0.74 0.27 -0.54 0.70 0.00 0.00 175.17 174.86 1gjx s LYS 65 N -3.82 3.53 0.17 2.11 1.02 -1.26 -3.29 119.74 118.20 1gjx s LYS 65 Ca 0.16 -0.21 -0.02 0.00 0.02 0.00 0.00 55.97 55.92 1gjx s LYS 65 Cb 0.04 -3.01 -0.04 0.00 -0.52 0.00 0.00 37.83 34.31 1gjx s LYS 65 CO 0.08 0.59 0.13 0.42 -0.92 0.00 0.00 175.35 175.65 1gjx s ILE 66 N -1.46 0.05 -0.35 2.17 1.09 -0.58 -4.89 121.20 117.23 1gjx s ILE 66 Ca 0.33 -1.88 0.15 0.00 -1.10 0.00 0.00 60.65 58.16 1gjx s ILE 66 Cb -0.13 -2.23 0.43 0.00 -1.06 0.00 0.00 42.46 39.48 1gjx s ILE 66 CO 0.22 -0.23 1.03 -1.54 -0.10 0.00 0.00 174.94 174.32 1gjx n SER 67 N -0.19 0.55 -4.28 3.58 3.41 -1.26 0.14 113.62 115.57 1gjx n SER 67 Ca -0.02 -2.71 -0.31 0.00 -0.26 0.00 0.00 58.87 55.57 1gjx n SER 67 Cb 0.64 -0.13 -0.09 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.14 -1.13 0.00 4.33 1.02 -1.26 -4.64 120.64 118.82 1gjx n GLU 68 Ca 0.08 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1gjx n GLU 68 Cb 0.81 -3.64 0.00 0.00 -0.02 0.00 0.00 31.44 28.59 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 -2.53 -0.40 1.06 0.62 0.00 -1.26 -4.70 105.19 97.98 1gjx n GLY 69 Ca -0.32 0.07 -0.03 0.00 0.00 0.00 0.00 46.02 45.74 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 5.35 3.99 -0.02 0.00 -1.26 -4.89 105.19 108.35 1gjx n GLY 70 Ca 0.00 -1.69 -0.37 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.95 -1.37 0.00 0.99 7.94 -1.26 -4.90 117.00 117.46 1gjx n LEU 71 Ca 0.26 -1.18 0.00 0.00 -1.11 0.00 0.00 56.01 53.98 1gjx n LEU 71 Cb 0.79 -1.92 0.00 0.00 0.53 0.00 0.00 43.42 42.81 1gjx n LEU 71 CO 0.09 0.61 0.16 -0.38 -1.11 0.00 0.00 177.39 176.76 1gjx n ILE 72 N -4.65 0.00 -4.54 1.96 5.41 -0.88 -4.42 119.36 112.24 1gjx n ILE 72 Ca -0.17 0.83 -0.26 0.00 1.00 0.00 0.00 62.75 64.15 1gjx n ILE 72 Cb 0.61 -1.48 -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 -0.65 2.21 -0.12 1.39 -7.23 -1.26 0.17 120.40 114.91 1gjx s VAL 73 Ca 0.00 -2.20 -0.01 0.00 -1.81 0.00 0.00 61.98 57.95 1gjx s VAL 73 Cb 0.00 -2.63 0.04 0.00 0.56 0.00 0.00 36.38 34.34 1gjx s VAL 73 CO 0.00 -0.21 -0.03 -0.69 -0.31 0.00 0.00 175.10 173.87 1gjx s VAL 74 N -2.63 0.74 0.22 1.32 1.01 -1.15 0.17 120.40 120.08 1gjx s VAL 74 Ca 0.32 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 62.11 1gjx s VAL 74 Cb 0.02 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 1gjx s VAL 74 CO 0.16 0.19 0.10 0.68 0.00 0.00 0.00 175.10 176.23 1gjx s VAL 75 N 1.81 4.10 0.25 2.92 -7.23 -0.69 0.16 120.40 121.72 1gjx s VAL 75 Ca 0.03 -1.44 0.01 0.00 -1.81 0.00 0.00 61.98 58.77 1gjx s VAL 75 Cb -0.14 -3.15 0.04 0.00 0.56 0.00 0.00 36.38 33.69 1gjx s VAL 75 CO -0.07 -0.25 1.67 -0.08 -0.31 0.00 0.00 175.10 176.06 1gjx h GLU 76 N 2.04 0.54 -3.91 4.82 4.81 0.90 1.13 114.58 124.90 1gjx h GLU 76 Ca -0.47 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 58.53 1gjx h GLU 76 Cb 1.22 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1gjx h GLU 76 CO 0.61 0.78 -0.92 0.00 -0.73 0.00 0.00 179.01 178.75 1gjx n ALA 77 N -2.49 -1.92 -4.19 2.92 0.00 -1.26 -2.72 120.51 110.85 1gjx n ALA 77 Ca -0.01 0.46 -0.36 0.00 0.00 0.00 0.00 53.44 53.53 1gjx n ALA 77 Cb 0.44 -1.42 -0.08 0.00 0.00 0.00 0.00 19.45 18.40 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 -0.87 -0.79 -3.86 0.00 0.28 0.56 -4.61 120.64 111.35 1gjx n GLU 78 Ca 0.00 0.11 -0.27 0.00 -0.16 0.00 0.00 57.16 56.85 1gjx n GLU 78 Cb 0.00 -3.97 -0.17 0.00 1.43 0.00 0.00 31.44 28.73 1gjx n GLU 78 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1gjx s GLY 79 N -3.28 0.80 -1.22 -1.84 0.00 0.32 -4.79 107.32 97.30 1gjx s GLY 79 Ca 0.58 -0.58 -0.06 0.00 0.00 0.00 0.00 44.72 44.66 1gjx s GLY 79 CO 0.91 0.96 0.36 -1.30 0.00 0.00 0.00 173.10 174.04 1gjx n THR 80 N 4.97 -0.95 -1.87 0.90 -2.24 -1.26 -4.47 114.28 109.35 1gjx n THR 80 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1gjx n THR 80 Cb 0.49 -1.90 0.00 0.00 -2.10 0.00 0.00 70.33 66.82 1gjx n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50