#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 -1.49 -4.03 0.00 4.32 -1.10 -4.42 117.00 110.27 1gjx n LEU 2 Ca 0.00 -0.38 -0.09 0.00 -0.02 0.00 0.00 56.01 55.52 1gjx n LEU 2 Cb 0.00 -0.85 -0.09 0.00 -1.62 0.00 0.00 43.42 40.86 1gjx n LEU 2 CO 0.00 -3.38 -0.22 -0.69 -1.22 0.00 0.00 177.39 171.88 1gjx s VAL 3 N -2.12 0.14 -0.42 4.08 1.01 0.56 -4.85 120.40 118.80 1gjx s VAL 3 Ca 0.46 -1.62 0.02 0.00 0.00 0.00 0.00 61.98 60.83 1gjx s VAL 3 Cb -0.08 -1.69 0.13 0.00 0.00 0.00 0.00 36.38 34.74 1gjx s VAL 3 CO 0.45 -0.64 0.22 -1.61 0.00 0.00 0.00 175.10 173.52 1gjx s GLU 4 N -3.95 1.15 0.77 2.72 2.02 -1.26 -1.78 118.70 118.37 1gjx s GLU 4 Ca 0.13 -1.84 -0.16 0.00 0.02 0.00 0.00 54.97 53.13 1gjx s GLU 4 Cb 0.06 -2.20 -0.06 0.00 0.10 0.00 0.00 34.13 32.03 1gjx s GLU 4 CO -0.05 -1.14 0.24 -0.11 0.02 0.00 0.00 175.26 174.21 1gjx n LEU 5 N 3.74 -0.87 -3.82 1.80 -0.00 0.48 -4.82 117.00 113.50 1gjx n LEU 5 Ca 0.08 0.50 -0.12 0.00 -0.00 0.00 0.00 56.01 56.46 1gjx n LEU 5 Cb 0.36 -1.10 -0.09 0.00 -0.00 0.00 0.00 43.42 42.58 1gjx n LEU 5 CO 0.22 -3.82 -0.08 -0.54 -0.00 0.00 0.00 177.39 173.17 1gjx s LYS 6 N -2.58 0.58 0.31 1.96 1.02 -1.26 -1.75 119.74 118.03 1gjx s LYS 6 Ca 0.59 -0.31 -0.27 0.00 0.02 0.00 0.00 55.97 56.00 1gjx s LYS 6 Cb -0.32 0.25 -0.14 0.00 -0.52 0.00 0.00 37.83 37.10 1gjx s LYS 6 CO 0.64 -0.15 0.99 0.28 -0.92 0.00 0.00 175.35 176.19 1gjx n VAL 7 N 1.33 2.04 -0.29 3.17 0.31 -1.26 -4.78 118.33 118.85 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 -0.99 0.00 0.00 -0.91 0.00 0.00 33.84 32.49 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 -0.42 -2.93 5.55 -0.04 -1.26 -3.89 135.00 132.65 1gjx n PRO 8 Ca 0.10 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.13 1gjx n PRO 8 Cb 0.33 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.80 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 -2.00 6.40 0.02 3.54 2.03 -1.26 -4.50 116.55 120.78 1gjx n ASP 9 Ca 0.00 -3.41 0.05 0.00 0.52 0.00 0.00 54.79 51.95 1gjx n ASP 9 Cb 0.00 -1.28 0.23 0.00 -0.72 0.00 0.00 41.12 39.35 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 1.39 1.33 -3.27 5.18 -6.64 -1.26 -4.80 119.36 111.29 1gjx n ILE 10 Ca 0.28 0.36 -0.10 0.00 -1.77 0.00 0.00 62.75 61.51 1gjx n ILE 10 Cb 0.33 -1.22 0.00 0.00 -1.44 0.00 0.00 39.64 37.32 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 -0.57 -1.18 2.11 3.28 0.00 -1.26 -4.54 105.19 103.03 1gjx n GLY 11 Ca 0.02 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.70 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 -1.44 -1.63 0.00 -0.02 0.00 -1.26 -4.88 105.19 95.96 1gjx n GLY 12 Ca -0.08 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 -3.02 0.00 -1.94 1.61 1.44 -1.26 -5.03 115.22 107.02 1gjx n HIS 13 Ca 0.00 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 1gjx n HIS 13 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 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 -0.44 3.13 0.00 -1.40 1.02 -1.26 -4.18 120.64 117.51 1gjx n GLU 14 Ca 0.00 -2.93 0.00 0.00 -0.02 0.00 0.00 57.16 54.21 1gjx n GLU 14 Cb 0.00 -3.16 0.00 0.00 -0.02 0.00 0.00 31.44 28.26 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 5.30 0.00 -4.29 1.62 0.23 0.22 -4.74 115.26 113.60 1gjx n ASN 15 Ca 0.48 0.00 -0.31 0.00 -0.53 0.00 0.00 54.58 54.21 1gjx n ASN 15 Cb 0.38 0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 37.92 1gjx n ASN 15 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 1gjx s VAL 16 N 0.00 2.05 0.07 3.53 -7.23 0.40 -4.72 120.40 114.50 1gjx s VAL 16 Ca 0.00 -1.09 -0.30 0.00 -1.81 0.00 0.00 61.98 58.78 1gjx s VAL 16 Cb 0.00 -1.72 -0.05 0.00 0.56 0.00 0.00 36.38 35.17 1gjx s VAL 16 CO 0.00 0.58 1.05 -1.81 -0.31 0.00 0.00 175.10 174.60 1gjx s ASP 17 N -0.40 7.31 0.87 4.85 1.01 -1.24 0.17 116.67 129.24 1gjx s ASP 17 Ca 0.03 1.84 -0.11 0.00 0.71 0.00 0.00 52.55 55.03 1gjx s ASP 17 Cb -0.12 -2.58 0.12 0.00 1.01 0.00 0.00 42.92 41.35 1gjx s ASP 17 CO 0.01 -0.27 1.10 -0.63 0.21 0.00 0.00 175.17 175.59 1gjx s ILE 18 N 0.61 2.76 0.00 0.77 1.01 -0.88 -3.35 121.20 122.12 1gjx s ILE 18 Ca 0.52 0.25 0.00 0.00 0.00 0.00 0.00 60.65 61.42 1gjx s ILE 18 Cb -0.25 -2.63 0.00 0.00 0.01 0.00 0.00 42.46 39.59 1gjx s ILE 18 CO 0.30 -0.32 0.00 2.30 0.00 0.00 0.00 174.94 177.21 1gjx n ILE 19 N -3.88 0.00 -3.85 2.92 -5.35 0.51 -4.01 119.36 105.69 1gjx n ILE 19 Ca 0.08 -0.13 -0.11 0.00 -0.27 0.00 0.00 62.75 62.32 1gjx n ILE 19 Cb 0.54 0.58 -0.10 0.00 -1.74 0.00 0.00 39.64 38.93 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 -1.15 -0.41 -0.03 -1.28 0.00 0.14 -4.81 121.76 114.23 1gjx s ALA 20 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.89 1gjx s ALA 20 Cb 0.00 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.27 1gjx s ALA 20 CO 0.00 -0.23 0.01 0.54 0.00 0.00 0.00 175.76 176.09 1gjx s VAL 21 N -1.47 0.07 -0.33 0.00 0.11 -1.26 -3.58 120.40 113.94 1gjx s VAL 21 Ca -0.14 0.15 0.16 0.00 -2.93 0.00 0.00 61.98 59.22 1gjx s VAL 21 Cb -0.07 -0.19 0.44 0.00 -1.53 0.00 0.00 36.38 35.04 1gjx s VAL 21 CO 0.02 0.12 1.26 -0.62 -3.33 0.00 0.00 175.10 172.55 1gjx n GLU 22 N 4.19 1.39 -3.86 1.54 1.02 -0.66 -4.98 120.64 119.28 1gjx n GLU 22 Ca -0.27 -2.41 -0.20 0.00 -0.02 0.00 0.00 57.16 54.26 1gjx n GLU 22 Cb 0.50 -0.59 -0.17 0.00 -0.02 0.00 0.00 31.44 31.16 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 -1.64 0.28 -0.00 2.62 -7.23 -1.26 -4.90 120.40 108.27 1gjx s VAL 23 Ca 0.21 0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.50 1gjx s VAL 23 Cb 0.40 -0.41 0.00 0.00 0.56 0.00 0.00 36.38 36.93 1gjx s VAL 23 CO -0.06 0.21 0.62 -3.20 -0.31 0.00 0.00 175.10 172.37 1gjx n ASN 24 N 4.72 0.45 -1.81 4.85 5.15 -1.26 -4.97 115.26 122.39 1gjx n ASN 24 Ca -0.15 -1.26 0.00 0.00 -0.60 0.00 0.00 54.58 52.58 1gjx n ASN 24 Cb 0.50 -0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.74 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 -0.12-11.41 0.00 3.44 0.31 -1.26 -4.85 118.33 104.44 1gjx n VAL 25 Ca 0.00 2.76 0.00 0.00 -0.01 0.00 0.00 64.34 67.09 1gjx n VAL 25 Cb 0.45 -4.98 0.00 0.00 -0.91 0.00 0.00 33.84 28.41 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 1.53 1.71 3.75 2.92 0.00 -0.62 -4.95 105.19 109.53 1gjx n GLY 26 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.60 3.71 -0.42 1.61 1.01 -1.26 -4.73 116.67 114.98 1gjx s ASP 27 Ca 0.00 1.37 -0.15 0.00 0.71 0.00 0.00 52.55 54.48 1gjx s ASP 27 Cb 0.00 -2.06 0.03 0.00 1.01 0.00 0.00 42.92 41.91 1gjx s ASP 27 CO 0.00 -2.47 0.31 -0.89 0.21 0.00 0.00 175.17 172.33 1gjx s THR 28 N -3.03 5.19 -0.03 -1.27 2.01 -1.26 -2.98 115.64 114.27 1gjx s THR 28 Ca 0.63 -0.78 -0.15 0.00 0.31 0.00 0.00 61.69 61.70 1gjx s THR 28 Cb -0.17 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.35 1gjx s THR 28 CO 0.56 -0.37 0.40 0.27 -0.69 0.00 0.00 174.62 174.79 1gjx s ILE 29 N 1.66 5.08 0.26 1.82 -4.36 0.91 -4.96 121.20 121.60 1gjx s ILE 29 Ca 0.05 0.81 0.03 0.00 -0.26 0.00 0.00 60.65 61.28 1gjx s ILE 29 Cb -0.20 -3.71 0.03 0.00 1.25 0.00 0.00 42.46 39.83 1gjx s ILE 29 CO 0.09 0.54 0.27 0.00 0.24 0.00 0.00 174.94 176.08 1gjx n ALA 30 N 2.12 0.47 -0.93 2.27 0.00 -1.20 -1.15 120.51 122.09 1gjx n ALA 30 Ca -0.13 -0.99 -0.19 0.00 0.00 0.00 0.00 53.44 52.12 1gjx n ALA 30 Cb 0.52 0.35 0.05 0.00 0.00 0.00 0.00 19.45 20.37 1gjx n ALA 30 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1gjx n VAL 31 N -1.32 2.88 0.00 0.00 0.24 -1.04 -3.32 118.33 115.77 1gjx n VAL 31 Ca 0.03 -1.82 0.00 0.00 -2.04 0.00 0.00 64.34 60.51 1gjx n VAL 31 Cb 0.28 -1.28 0.00 0.00 -1.47 0.00 0.00 33.84 31.37 1gjx n VAL 31 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1gjx n ASP 32 N 0.13 0.00 -3.69 -1.34 5.68 -1.11 -4.79 116.55 111.43 1gjx n ASP 32 Ca 0.35 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 54.50 1gjx n ASP 32 Cb 0.62 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.45 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 0.32 -0.09 -1.12 1.47 0.30 -4.94 116.67 112.62 1gjx s ASP 33 Ca 0.00 0.44 -0.29 0.00 1.18 0.00 0.00 52.55 53.88 1gjx s ASP 33 Cb 0.00 0.42 -0.07 0.00 -0.34 0.00 0.00 42.92 42.93 1gjx s ASP 33 CO 0.00 -0.21 1.98 0.42 0.68 0.00 0.00 175.17 178.04 1gjx s THR 34 N 1.99 3.14 -0.12 2.11 -4.23 -1.25 -1.23 115.64 116.04 1gjx s THR 34 Ca -0.02 0.16 -0.13 0.00 -1.18 0.00 0.00 61.69 60.53 1gjx s THR 34 Cb -0.12 -3.13 -0.26 0.00 1.34 0.00 0.00 72.50 70.33 1gjx s THR 34 CO -0.07 -0.05 0.43 -0.07 -0.54 0.00 0.00 174.62 174.32 1gjx h LEU 35 N 12.19 0.35 0.00 4.79 3.38 0.19 -3.47 115.31 132.73 1gjx h LEU 35 Ca -0.44 -0.84 -0.14 0.00 0.09 0.00 0.00 57.88 56.54 1gjx h LEU 35 Cb 1.22 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 1gjx h LEU 35 CO 0.96 1.71 0.04 2.30 0.09 0.00 0.00 178.44 183.54 1gjx n ILE 36 N -3.81 0.00 -3.69 1.22 -6.64 -1.24 -1.65 119.36 103.54 1gjx n ILE 36 Ca -0.29 -1.24 -0.15 0.00 -1.77 0.00 0.00 62.75 59.30 1gjx n ILE 36 Cb 0.94 0.92 -0.14 0.00 -1.44 0.00 0.00 39.64 39.91 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 -2.51 -0.23 0.51 7.28 2.01 -1.23 -1.82 115.64 119.64 1gjx s THR 37 Ca 0.20 0.27 0.02 0.00 0.31 0.00 0.00 61.69 62.49 1gjx s THR 37 Cb -0.02 -0.34 0.02 0.00 0.01 0.00 0.00 72.50 72.16 1gjx s THR 37 CO 0.15 0.11 0.15 0.18 -0.69 0.00 0.00 174.62 174.52 1gjx n LEU 38 N 4.96 0.00 -3.59 4.42 4.32 0.41 0.19 117.00 127.70 1gjx n LEU 38 Ca -0.12 -2.98 -0.05 0.00 -0.02 0.00 0.00 56.01 52.84 1gjx n LEU 38 Cb 0.51 0.20 -0.02 0.00 -1.62 0.00 0.00 43.42 42.49 1gjx n LEU 38 CO 0.08 -0.49 0.99 -0.70 -1.22 0.00 0.00 177.39 176.05 1gjx s GLU 39 N -3.93 0.33 0.05 3.23 -6.30 -1.21 0.16 118.70 111.02 1gjx s GLU 39 Ca 0.11 -0.12 -0.03 0.00 -2.50 0.00 0.00 54.97 52.43 1gjx s GLU 39 Cb -0.01 0.15 -0.01 0.00 0.00 0.00 0.00 34.13 34.26 1gjx s GLU 39 CO 0.07 -0.14 -0.05 0.25 0.02 0.00 0.00 175.26 175.40 1gjx n THR 40 N -0.10 1.13 0.00 -1.70 -2.24 -1.19 -3.67 114.28 106.52 1gjx n THR 40 Ca 0.00 0.33 0.00 0.00 -2.27 0.00 0.00 64.05 62.11 1gjx n THR 40 Cb 0.58 -1.64 0.00 0.00 -2.10 0.00 0.00 70.33 67.17 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 -3.52 0.00 -1.02 3.42 8.00 -1.26 -4.93 116.55 117.23 1gjx n ASP 41 Ca -0.02 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.50 1gjx n ASP 41 Cb 0.08 0.09 0.01 0.00 -0.02 0.00 0.00 41.12 41.28 1gjx n ASP 41 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1gjx n LYS 42 N -1.83 0.00 -3.38 -1.24 0.00 -1.26 -5.01 118.16 105.44 1gjx n LYS 42 Ca 0.00 -1.47 -0.16 0.00 -0.00 0.00 0.00 58.31 56.68 1gjx n LYS 42 Cb 0.00 -0.19 -0.09 0.00 -0.00 0.00 0.00 35.03 34.75 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 0.00 -0.58 -0.33 0.58 0.00 -1.26 -5.12 121.76 115.05 1gjx s ALA 43 Ca 0.17 -0.32 -0.18 0.00 0.00 0.00 0.00 51.96 51.63 1gjx s ALA 43 Cb 0.20 -1.88 -0.01 0.00 0.00 0.00 0.00 23.12 21.42 1gjx s ALA 43 CO -0.09 -1.78 0.51 0.95 0.00 0.00 0.00 175.76 175.35 1gjx s THR 44 N 2.27 5.03 0.37 0.00 -4.23 -1.26 -3.14 115.64 114.68 1gjx s THR 44 Ca 0.10 0.47 0.04 0.00 -1.18 0.00 0.00 61.69 61.12 1gjx s THR 44 Cb -0.14 -3.92 0.04 0.00 1.34 0.00 0.00 72.50 69.83 1gjx s THR 44 CO -0.29 -0.13 0.37 0.80 -0.54 0.00 0.00 174.62 174.83 1gjx n MET 45 N 5.68 0.87 -3.67 3.99 1.56 0.41 -4.87 117.12 121.10 1gjx n MET 45 Ca -0.05 -2.16 -0.04 0.00 -0.27 0.00 0.00 57.70 55.18 1gjx n MET 45 Cb 0.49 0.08 -0.01 0.00 2.15 0.00 0.00 33.22 35.93 1gjx n MET 45 CO 0.00 0.00 0.00 0.16 -0.73 0.00 0.00 175.97 175.40 1gjx s ASP 46 N -3.20 -0.20 -0.20 6.12 1.47 -1.26 0.15 116.67 119.55 1gjx s ASP 46 Ca 0.28 -0.25 0.01 0.00 1.18 0.00 0.00 52.55 53.77 1gjx s ASP 46 Cb -0.02 0.41 0.04 0.00 -0.34 0.00 0.00 42.92 43.00 1gjx s ASP 46 CO 0.18 -0.73 -0.12 -0.69 0.68 0.00 0.00 175.17 174.49 1gjx s VAL 47 N -3.09 1.78 -0.31 2.11 1.01 -0.76 -4.70 120.40 116.43 1gjx s VAL 47 Ca 0.11 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1gjx s VAL 47 Cb -0.00 -1.80 0.29 0.00 0.00 0.00 0.00 36.38 34.87 1gjx s VAL 47 CO -0.02 0.22 1.80 -0.81 0.00 0.00 0.00 175.10 176.30 1gjx n PRO 48 N 4.64 1.82 -1.46 2.72 -0.04 -1.25 0.20 135.00 141.63 1gjx n PRO 48 Ca -0.16 -1.72 0.19 0.00 -0.04 0.00 0.00 63.50 61.77 1gjx n PRO 48 Cb 0.47 -1.68 -0.06 0.00 -0.04 0.00 0.00 33.50 32.19 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 -0.06 -3.80 -2.66 0.55 0.00 -0.37 0.11 120.51 114.29 1gjx n ALA 49 Ca 0.34 0.57 -0.03 0.00 0.00 0.00 0.00 53.44 54.31 1gjx n ALA 49 Cb 0.82 -1.37 0.11 0.00 0.00 0.00 0.00 19.45 19.00 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 -4.28 1.13 0.00 0.00 2.13 -1.25 -4.47 120.64 113.89 1gjx n GLU 50 Ca -0.01 -1.23 0.00 0.00 0.66 0.00 0.00 57.16 56.57 1gjx n GLU 50 Cb 0.68 0.24 0.00 0.00 0.27 0.00 0.00 31.44 32.62 1gjx n GLU 50 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1gjx n VAL 51 N -1.09 0.00 -3.86 6.31 0.24 -1.21 -4.96 118.33 113.77 1gjx n VAL 51 Ca -0.13 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.85 1gjx n VAL 51 Cb 0.82 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 33.07 1gjx n VAL 51 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1gjx s ALA 52 N -2.00 3.46 0.00 2.33 0.00 -1.25 -2.50 121.76 121.80 1gjx s ALA 52 Ca 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 51.96 48.64 1gjx s ALA 52 Cb 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.76 1gjx s ALA 52 CO 0.00 -2.06 0.00 0.41 0.00 0.00 0.00 175.76 174.11 1gjx n GLY 53 N 3.15 2.75 3.53 0.00 0.00 -0.30 0.20 105.19 114.51 1gjx n GLY 53 Ca 0.07 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.28 3.17 0.31 1.61 1.01 -1.26 -0.06 120.40 122.90 1gjx s VAL 54 Ca 0.00 -1.11 -0.24 0.00 0.00 0.00 0.00 61.98 60.63 1gjx s VAL 54 Cb 0.00 -2.39 -0.10 0.00 0.00 0.00 0.00 36.38 33.89 1gjx s VAL 54 CO 0.00 0.29 0.89 -0.69 0.00 0.00 0.00 175.10 175.59 1gjx s VAL 55 N -1.03 4.31 -0.09 2.92 1.01 -1.16 0.17 120.40 126.53 1gjx s VAL 55 Ca 0.17 1.67 -0.05 0.00 0.00 0.00 0.00 61.98 63.77 1gjx s VAL 55 Cb -0.11 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1gjx s VAL 55 CO 0.08 0.11 -0.13 0.29 0.00 0.00 0.00 175.10 175.45 1gjx n LYS 56 N 0.48 0.21 -3.53 2.72 4.76 0.39 -1.60 118.16 121.60 1gjx n LYS 56 Ca 0.01 0.09 -0.22 0.00 -2.87 0.00 0.00 58.31 55.33 1gjx n LYS 56 Cb 0.51 -0.86 -0.01 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 -2.20 2.46 -0.29 1.97 2.02 -1.20 -4.81 118.70 116.65 1gjx s GLU 57 Ca -0.14 -1.64 -0.15 0.00 0.02 0.00 0.00 54.97 53.07 1gjx s GLU 57 Cb 0.05 -2.37 0.13 0.00 0.10 0.00 0.00 34.13 32.04 1gjx s GLU 57 CO 0.18 -0.37 0.87 0.54 0.02 0.00 0.00 175.26 176.49 1gjx s VAL 58 N -2.55 -0.23 -0.44 2.63 0.11 -1.26 -3.37 120.40 115.30 1gjx s VAL 58 Ca 0.47 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.59 1gjx s VAL 58 Cb -0.04 -1.00 0.22 0.00 -1.53 0.00 0.00 36.38 34.03 1gjx s VAL 58 CO 0.28 0.00 0.59 0.29 -3.33 0.00 0.00 175.10 172.93 1gjx n LYS 59 N 4.32 0.56 -3.59 1.54 4.01 -0.32 -4.96 118.16 119.72 1gjx n LYS 59 Ca -0.16 -2.70 -0.08 0.00 -0.51 0.00 0.00 58.31 54.86 1gjx n LYS 59 Cb 0.56 -1.43 -0.05 0.00 -0.51 0.00 0.00 35.03 33.60 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 -0.12 0.00 0.00 -0.18 0.11 -1.26 -4.65 120.40 114.30 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 0.12 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.97 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 0.66 0.00 -3.48 1.54 3.00 -1.26 -4.94 118.16 113.68 1gjx n LYS 61 Ca -0.08 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.81 1gjx n LYS 61 Cb 0.58 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.56 1gjx n LYS 61 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1gjx s VAL 62 N -2.98 4.78 0.00 3.15 1.01 -1.26 -4.41 120.40 120.69 1gjx s VAL 62 Ca 0.00 -2.35 0.00 0.00 0.00 0.00 0.00 61.98 59.63 1gjx s VAL 62 Cb 0.00 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1gjx s VAL 62 CO 0.00 -0.92 0.00 0.61 0.00 0.00 0.00 175.10 174.79 1gjx n GLY 63 N 4.18 1.34 3.11 4.51 0.00 -1.26 -5.03 105.19 112.04 1gjx n GLY 63 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.66 1.65 0.08 1.61 -4.77 -1.26 -4.95 116.67 107.37 1gjx s ASP 64 Ca 0.00 -0.29 -0.31 0.00 -3.30 0.00 0.00 52.55 48.66 1gjx s ASP 64 Cb 0.00 -0.17 -0.06 0.00 -1.09 0.00 0.00 42.92 41.60 1gjx s ASP 64 CO 0.00 0.15 1.23 -0.54 0.70 0.00 0.00 175.17 176.71 1gjx s LYS 65 N -0.46 4.42 0.31 2.11 1.02 -1.26 -2.07 119.74 123.80 1gjx s LYS 65 Ca 0.05 1.83 0.03 0.00 0.02 0.00 0.00 55.97 57.89 1gjx s LYS 65 Cb -0.06 -3.32 -0.06 0.00 -0.52 0.00 0.00 37.83 33.88 1gjx s LYS 65 CO -0.00 -0.27 0.08 -1.50 -0.92 0.00 0.00 175.35 172.74 1gjx s ILE 66 N 0.96 0.88 -0.11 2.17 1.10 0.44 -4.77 121.20 121.88 1gjx s ILE 66 Ca 0.59 -2.00 -0.08 0.00 -0.51 0.00 0.00 60.65 58.65 1gjx s ILE 66 Cb -0.31 -2.69 0.04 0.00 0.15 0.00 0.00 42.46 39.64 1gjx s ILE 66 CO 0.30 0.00 0.28 -0.44 -2.11 0.00 0.00 174.94 172.97 1gjx s SER 67 N -3.43 -0.30 -0.98 4.50 0.01 -1.26 0.15 113.70 112.39 1gjx s SER 67 Ca 0.36 0.57 -0.17 0.00 1.31 0.00 0.00 55.95 58.03 1gjx s SER 67 Cb 0.08 0.53 -0.29 0.00 0.21 0.00 0.00 66.02 66.55 1gjx s SER 67 CO 0.15 -0.13 2.33 -0.62 0.41 0.00 0.00 173.24 175.39 1gjx n GLU 68 N 3.46 0.05 0.00 12.44 4.71 -1.26 -2.33 120.64 137.70 1gjx n GLU 68 Ca -0.18 -0.04 0.00 0.00 -0.01 0.00 0.00 57.16 56.94 1gjx n GLU 68 Cb 0.56 -1.32 0.00 0.00 -1.01 0.00 0.00 31.44 29.67 1gjx n GLU 68 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1gjx n GLY 69 N 5.87 0.71 0.32 0.62 0.00 -1.25 -4.88 105.19 106.58 1gjx n GLY 69 Ca 0.66 -0.80 0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 4.90 3.91 -0.02 0.00 -0.99 -4.91 105.19 108.09 1gjx n GLY 70 Ca 0.00 -1.18 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 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 -1.27 -1.74 0.00 0.99 7.94 -1.24 -4.91 117.00 116.77 1gjx n LEU 71 Ca 0.18 -1.13 0.00 0.00 -1.11 0.00 0.00 56.01 53.95 1gjx n LEU 71 Cb 0.69 -2.05 0.00 0.00 0.53 0.00 0.00 43.42 42.59 1gjx n LEU 71 CO 0.01 0.58 0.24 -0.38 -1.11 0.00 0.00 177.39 176.74 1gjx n ILE 72 N -4.54 0.00 -4.35 1.96 5.41 -0.71 -4.69 119.36 112.43 1gjx n ILE 72 Ca -0.16 0.99 -0.21 0.00 1.00 0.00 0.00 62.75 64.37 1gjx n ILE 72 Cb 0.61 -1.72 -0.11 0.00 -0.71 0.00 0.00 39.64 37.71 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 -0.98 1.87 -0.10 1.39 -7.23 -1.26 -1.17 120.40 112.92 1gjx s VAL 73 Ca 0.00 -2.05 0.03 0.00 -1.81 0.00 0.00 61.98 58.15 1gjx s VAL 73 Cb 0.00 -1.95 -0.01 0.00 0.56 0.00 0.00 36.38 34.98 1gjx s VAL 73 CO 0.00 -0.40 -0.21 -0.69 -0.31 0.00 0.00 175.10 173.48 1gjx s VAL 74 N -2.36 2.32 0.35 1.32 1.01 -1.22 0.18 120.40 122.00 1gjx s VAL 74 Ca 0.19 -0.94 0.09 0.00 0.00 0.00 0.00 61.98 61.32 1gjx s VAL 74 Cb -0.04 -1.90 -0.06 0.00 0.00 0.00 0.00 36.38 34.38 1gjx s VAL 74 CO 0.07 0.56 -0.04 0.68 0.00 0.00 0.00 175.10 176.37 1gjx s VAL 75 N 0.21 2.36 0.13 2.92 -7.23 -0.73 0.15 120.40 118.21 1gjx s VAL 75 Ca -0.13 -2.08 -0.10 0.00 -1.81 0.00 0.00 61.98 57.86 1gjx s VAL 75 Cb -0.16 -2.75 -0.11 0.00 0.56 0.00 0.00 36.38 33.91 1gjx s VAL 75 CO 0.07 -0.17 1.38 -0.08 -0.31 0.00 0.00 175.10 175.99 1gjx h GLU 76 N 1.90 0.75 -4.27 4.82 4.57 0.14 0.16 114.58 122.65 1gjx h GLU 76 Ca -0.42 -0.54 0.00 0.00 -1.18 0.00 0.00 59.36 57.21 1gjx h GLU 76 Cb 1.25 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.93 1gjx h GLU 76 CO 0.70 1.16 -0.88 0.00 -1.18 0.00 0.00 179.01 178.82 1gjx n ALA 77 N -2.57 -1.88 -4.04 2.92 0.00 -1.26 -2.72 120.51 110.97 1gjx n ALA 77 Ca -0.05 0.44 -0.36 0.00 0.00 0.00 0.00 53.44 53.47 1gjx n ALA 77 Cb 0.68 -1.38 -0.01 0.00 0.00 0.00 0.00 19.45 18.74 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 1.57 -1.25 -0.00 0.00 0.28 0.53 -4.51 120.64 117.27 1gjx n GLU 78 Ca 0.00 0.22 -0.10 0.00 -0.16 0.00 0.00 57.16 57.12 1gjx n GLU 78 Cb 0.00 -3.51 -0.05 0.00 1.43 0.00 0.00 31.44 29.31 1gjx n GLU 78 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1gjx h GLY 79 N -2.12 0.09 -2.57 -1.84 0.00 -1.73 -3.46 103.07 91.43 1gjx h GLY 79 Ca -0.67 0.02 -0.26 0.00 0.00 0.00 0.00 47.33 46.41 1gjx h GLY 79 CO 0.58 -0.03 -0.63 -1.08 0.00 0.00 0.00 176.54 175.39 1gjx s THR 80 N -6.19 0.20 -0.85 4.70 -1.32 -1.26 -5.16 115.64 105.75 1gjx s THR 80 Ca -0.13 -1.99 0.07 0.00 -1.21 0.00 0.00 61.69 58.43 1gjx s THR 80 Cb 0.08 -2.45 0.05 0.00 -1.51 0.00 0.00 72.50 68.68 1gjx s THR 80 CO 0.67 -0.10 0.72 0.00 -2.21 0.00 0.00 174.62 173.70