#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 -0.66 -3.69 0.00 4.77 -1.23 -5.01 117.00 111.18 1gjx n LEU 2 Ca 0.00 1.49 -0.10 0.00 -0.03 0.00 0.00 56.01 57.37 1gjx n LEU 2 Cb 0.00 -3.97 -0.05 0.00 -2.33 0.00 0.00 43.42 37.07 1gjx n LEU 2 CO 0.00 -2.96 0.12 -0.69 -1.33 0.00 0.00 177.39 172.53 1gjx s VAL 3 N -2.59 0.08 -0.19 4.08 1.01 0.40 -4.80 120.40 118.39 1gjx s VAL 3 Ca 0.00 -0.71 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 1gjx s VAL 3 Cb 0.00 -1.25 0.06 0.00 0.00 0.00 0.00 36.38 35.20 1gjx s VAL 3 CO 0.00 -0.35 0.08 -1.61 0.00 0.00 0.00 175.10 173.22 1gjx s GLU 4 N -3.82 0.22 1.21 2.72 8.01 -1.26 -0.38 118.70 125.39 1gjx s GLU 4 Ca 0.04 -0.22 -0.19 0.00 0.01 0.00 0.00 54.97 54.62 1gjx s GLU 4 Cb 0.02 -1.83 0.29 0.00 -4.31 0.00 0.00 34.13 28.30 1gjx s GLU 4 CO -0.11 -0.70 1.08 -0.51 0.01 0.00 0.00 175.26 175.03 1gjx s LEU 5 N 2.06 0.54 0.18 1.80 2.01 0.43 -4.88 118.68 120.82 1gjx s LEU 5 Ca 0.02 0.77 -0.20 0.00 0.01 0.00 0.00 54.13 54.73 1gjx s LEU 5 Cb -0.16 -2.52 0.04 0.00 0.01 0.00 0.00 46.19 43.56 1gjx s LEU 5 CO -0.12 -4.20 0.56 -0.54 1.01 0.00 0.00 176.35 173.06 1gjx s LYS 6 N -5.26 1.35 0.53 1.70 3.01 -1.26 -1.71 119.74 118.10 1gjx s LYS 6 Ca 0.70 -0.70 -0.20 0.00 -1.01 0.00 0.00 55.97 54.76 1gjx s LYS 6 Cb -0.12 0.55 -0.08 0.00 -1.01 0.00 0.00 37.83 37.17 1gjx s LYS 6 CO 0.57 -0.58 0.80 0.28 0.51 0.00 0.00 175.35 176.93 1gjx n VAL 7 N -0.36 2.78 0.00 3.17 0.31 -1.26 -4.79 118.33 118.18 1gjx n VAL 7 Ca -0.13 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.70 1gjx n VAL 7 Cb 0.63 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 1gjx n VAL 7 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1gjx n PRO 8 N -0.29 1.43 -2.66 5.55 -0.02 -1.26 -3.79 135.00 133.96 1gjx n PRO 8 Ca 0.12 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.33 1gjx n PRO 8 Cb 0.45 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.91 1gjx n PRO 8 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1gjx n ASP 9 N 0.00 4.49 -0.07 2.55 2.03 -1.26 -4.45 116.55 119.84 1gjx n ASP 9 Ca 0.00 -3.67 0.25 0.00 0.52 0.00 0.00 54.79 51.89 1gjx n ASP 9 Cb 0.00 -0.50 0.60 0.00 -0.72 0.00 0.00 41.12 40.50 1gjx n ASP 9 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 1gjx h ILE 10 N 2.71 0.18 0.00 5.18 -0.00 -1.90 -3.45 117.51 120.23 1gjx h ILE 10 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 65.09 1gjx h ILE 10 Cb 0.78 0.32 0.00 0.00 -0.00 0.00 0.00 36.82 37.92 1gjx h ILE 10 CO 0.82 0.00 0.00 0.61 -0.00 0.00 0.00 178.15 179.58 1gjx n GLY 11 N -1.61 1.86 0.00 0.16 0.00 -1.26 -4.52 105.19 99.82 1gjx n GLY 11 Ca 0.16 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.09 0.83 -0.02 0.00 -1.26 -5.01 105.19 98.64 1gjx n GLY 12 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.03 -0.66 -0.92 1.61 1.44 -1.26 -5.15 115.22 110.24 1gjx n HIS 13 Ca 0.00 -0.26 -0.30 0.00 -2.01 0.00 0.00 57.72 55.16 1gjx n HIS 13 Cb 0.00 0.12 0.24 0.00 0.12 0.00 0.00 29.99 30.48 1gjx n HIS 13 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 1gjx s GLU 14 N -2.01 -1.34 -0.50 -1.40 -1.05 -1.26 -4.46 118.70 106.69 1gjx s GLU 14 Ca 0.05 0.10 -0.30 0.00 -0.15 0.00 0.00 54.97 54.67 1gjx s GLU 14 Cb -0.01 -1.57 0.05 0.00 -0.44 0.00 0.00 34.13 32.16 1gjx s GLU 14 CO 0.01 -3.82 0.65 0.27 0.95 0.00 0.00 175.26 173.32 1gjx n ASN 15 N -4.87 -5.89 -4.43 0.83 6.94 -0.01 -4.91 115.26 102.92 1gjx n ASN 15 Ca 0.11 -0.13 -0.22 0.00 -0.02 0.00 0.00 54.58 54.32 1gjx n ASN 15 Cb 0.59 -2.35 -0.10 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 -1.86 2.19 -0.30 3.53 -7.23 0.49 -4.70 120.40 112.53 1gjx s VAL 16 Ca 0.31 -2.32 -0.15 0.00 -1.81 0.00 0.00 61.98 58.01 1gjx s VAL 16 Cb -0.04 -2.24 -0.03 0.00 0.56 0.00 0.00 36.38 34.63 1gjx s VAL 16 CO 0.86 -0.45 0.36 -1.81 -0.31 0.00 0.00 175.10 173.75 1gjx s ASP 17 N -3.45 6.21 0.99 4.85 1.11 -1.24 0.10 116.67 125.25 1gjx s ASP 17 Ca 0.28 0.07 -0.11 0.00 0.18 0.00 0.00 52.55 52.97 1gjx s ASP 17 Cb -0.03 -2.20 0.19 0.00 1.07 0.00 0.00 42.92 41.95 1gjx s ASP 17 CO 0.12 -0.24 1.11 -0.63 1.18 0.00 0.00 175.17 176.72 1gjx s ILE 18 N 2.04 2.01 0.00 0.77 1.01 -1.01 -3.45 121.20 122.58 1gjx s ILE 18 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.79 1gjx s ILE 18 Cb -0.16 -2.01 0.00 0.00 0.01 0.00 0.00 42.46 40.30 1gjx s ILE 18 CO 0.11 -0.01 0.00 2.30 0.00 0.00 0.00 174.94 177.34 1gjx n ILE 19 N -4.47 0.00 -4.32 2.92 -5.35 -1.26 -3.59 119.36 103.29 1gjx n ILE 19 Ca 0.09 0.00 -0.24 0.00 -0.27 0.00 0.00 62.75 62.33 1gjx n ILE 19 Cb 0.53 -0.64 -0.08 0.00 -1.74 0.00 0.00 39.64 37.70 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 -1.94 3.21 -0.07 -1.28 0.00 -1.26 -4.82 121.76 115.60 1gjx s ALA 20 Ca 0.00 -1.92 -0.06 0.00 0.00 0.00 0.00 51.96 49.98 1gjx s ALA 20 Cb 0.00 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.71 1gjx s ALA 20 CO 0.00 0.09 0.19 0.08 0.00 0.00 0.00 175.76 176.12 1gjx s VAL 21 N -2.49 -0.01 -0.35 0.00 1.01 -1.26 -4.22 120.40 113.08 1gjx s VAL 21 Ca 0.35 0.03 0.13 0.00 0.00 0.00 0.00 61.98 62.48 1gjx s VAL 21 Cb -0.01 -0.28 0.41 0.00 0.00 0.00 0.00 36.38 36.50 1gjx s VAL 21 CO 0.20 0.01 1.50 -0.62 0.00 0.00 0.00 175.10 176.19 1gjx n GLU 22 N 3.20 1.35 -3.63 2.72 1.02 0.13 -4.90 120.64 120.52 1gjx n GLU 22 Ca -0.15 -1.40 -0.21 0.00 -0.02 0.00 0.00 57.16 55.39 1gjx n GLU 22 Cb 0.58 0.28 -0.17 0.00 -0.02 0.00 0.00 31.44 32.11 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 0.01 -0.16 -0.01 2.62 -7.23 -1.26 -4.79 120.40 109.57 1gjx s VAL 23 Ca 0.12 0.19 0.02 0.00 -1.81 0.00 0.00 61.98 60.50 1gjx s VAL 23 Cb 0.44 -0.36 0.03 0.00 0.56 0.00 0.00 36.38 37.05 1gjx s VAL 23 CO -0.12 0.00 0.78 0.59 -0.31 0.00 0.00 175.10 176.05 1gjx n ASN 24 N 5.30 0.53 -1.81 4.85 5.03 -1.26 -4.99 115.26 122.92 1gjx n ASN 24 Ca -0.05 -1.64 0.00 0.00 0.87 0.00 0.00 54.58 53.76 1gjx n ASN 24 Cb 0.50 -0.10 0.00 0.00 -1.02 0.00 0.00 39.78 39.16 1gjx n ASN 24 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1gjx n VAL 25 N -0.21 -9.15 0.00 2.41 0.31 -1.26 -4.83 118.33 105.60 1gjx n VAL 25 Ca 0.02 2.78 0.00 0.00 -0.01 0.00 0.00 64.34 67.13 1gjx n VAL 25 Cb 0.53 -4.29 0.00 0.00 -0.91 0.00 0.00 33.84 29.18 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 1.11 2.36 3.75 2.92 0.00 -0.21 -4.96 105.19 110.15 1gjx n GLY 26 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.10 7.23 -0.57 1.61 1.01 -1.26 -4.75 116.67 118.84 1gjx s ASP 27 Ca 0.00 2.25 -0.27 0.00 0.71 0.00 0.00 52.55 55.23 1gjx s ASP 27 Cb 0.00 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.31 1gjx s ASP 27 CO 0.00 -0.19 1.58 -0.89 0.21 0.00 0.00 175.17 175.88 1gjx s THR 28 N -0.88 3.61 0.43 -1.27 2.01 -1.26 -2.54 115.64 115.73 1gjx s THR 28 Ca 0.46 0.48 -0.22 0.00 0.31 0.00 0.00 61.69 62.72 1gjx s THR 28 Cb -0.32 -4.25 -0.09 0.00 0.01 0.00 0.00 72.50 67.85 1gjx s THR 28 CO 0.40 -1.07 1.02 0.27 -0.69 0.00 0.00 174.62 174.54 1gjx s ILE 29 N 7.04 3.92 0.15 1.82 -4.36 0.43 -4.86 121.20 125.33 1gjx s ILE 29 Ca 0.58 1.33 0.01 0.00 -0.26 0.00 0.00 60.65 62.32 1gjx s ILE 29 Cb -0.12 -3.62 -0.00 0.00 1.25 0.00 0.00 42.46 39.96 1gjx s ILE 29 CO 0.24 -0.13 0.04 0.00 0.24 0.00 0.00 174.94 175.33 1gjx n ALA 30 N -0.42 0.18 -1.04 2.27 0.00 -1.21 0.58 120.51 120.88 1gjx n ALA 30 Ca 0.06 -0.72 -0.24 0.00 0.00 0.00 0.00 53.44 52.54 1gjx n ALA 30 Cb 0.51 0.46 0.06 0.00 0.00 0.00 0.00 19.45 20.49 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 -0.34 3.11 0.00 0.00 0.24 -1.25 -3.27 118.33 116.82 1gjx n VAL 31 Ca -0.03 -2.14 0.00 0.00 -2.04 0.00 0.00 64.34 60.13 1gjx n VAL 31 Cb 0.21 -1.20 0.00 0.00 -1.47 0.00 0.00 33.84 31.38 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 -0.26 0.00 -3.58 -1.34 5.68 -0.90 -4.78 116.55 111.38 1gjx n ASP 32 Ca 0.44 0.00 -0.29 0.00 -0.50 0.00 0.00 54.79 54.45 1gjx n ASP 32 Cb 0.68 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.51 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 3.44 -0.35 -1.12 -4.77 0.42 -4.94 116.67 109.35 1gjx s ASP 33 Ca 0.00 -1.24 -0.40 0.00 -3.30 0.00 0.00 52.55 47.61 1gjx s ASP 33 Cb 0.00 -0.41 -0.15 0.00 -1.09 0.00 0.00 42.92 41.27 1gjx s ASP 33 CO 0.00 -0.42 1.92 0.35 0.70 0.00 0.00 175.17 177.72 1gjx n THR 34 N 5.20 0.21 0.01 2.11 -2.24 -1.25 -2.67 114.28 115.65 1gjx n THR 34 Ca -0.06 -0.10 -0.19 0.00 -2.27 0.00 0.00 64.05 61.43 1gjx n THR 34 Cb 0.43 -1.19 -0.14 0.00 -2.10 0.00 0.00 70.33 67.33 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 8.82 0.37 -7.99 3.22 3.38 0.17 -3.43 115.31 119.83 1gjx h LEU 35 Ca -0.35 -0.77 0.02 0.00 0.09 0.00 0.00 57.88 56.87 1gjx h LEU 35 Cb 1.34 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 1gjx h LEU 35 CO 1.00 1.69 0.35 0.27 0.09 0.00 0.00 178.44 181.84 1gjx s ILE 36 N -2.57 0.00 -0.36 1.22 -5.25 -1.24 -0.70 121.20 112.30 1gjx s ILE 36 Ca -0.18 -0.90 0.14 0.00 -0.99 0.00 0.00 60.65 58.72 1gjx s ILE 36 Cb 0.07 -2.94 0.41 0.00 2.95 0.00 0.00 42.46 42.95 1gjx s ILE 36 CO 0.79 0.00 0.95 0.41 -1.79 0.00 0.00 174.94 175.30 1gjx n THR 37 N -0.58 0.44 -1.04 8.37 -1.04 -1.25 -1.75 114.28 117.43 1gjx n THR 37 Ca -0.07 -3.21 -0.34 0.00 -2.04 0.00 0.00 64.05 58.39 1gjx n THR 37 Cb 0.60 0.49 0.02 0.00 -1.82 0.00 0.00 70.33 69.62 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 0.01 -4.25 -3.54 -4.42 7.94 0.37 -4.10 117.00 109.02 1gjx n LEU 38 Ca 0.12 0.41 0.00 0.00 -1.11 0.00 0.00 56.01 55.43 1gjx n LEU 38 Cb 0.77 -0.74 -0.03 0.00 0.53 0.00 0.00 43.42 43.95 1gjx n LEU 38 CO 0.19 -4.83 0.25 -0.70 -1.11 0.00 0.00 177.39 171.19 1gjx s GLU 39 N -1.30 0.57 0.00 1.96 -6.30 -1.22 0.72 118.70 113.13 1gjx s GLU 39 Ca 0.45 1.34 0.00 0.00 -2.50 0.00 0.00 54.97 54.26 1gjx s GLU 39 Cb -0.33 0.80 0.00 0.00 0.00 0.00 0.00 34.13 34.60 1gjx s GLU 39 CO 0.66 -0.28 0.11 0.25 0.02 0.00 0.00 175.26 176.02 1gjx n THR 40 N 5.43 0.00 -2.06 -1.70 -2.24 -1.06 -4.07 114.28 108.58 1gjx n THR 40 Ca -0.10 0.34 -0.01 0.00 -2.27 0.00 0.00 64.05 62.01 1gjx n THR 40 Cb 0.50 -0.79 -0.01 0.00 -2.10 0.00 0.00 70.33 67.92 1gjx n THR 40 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1gjx n ASP 41 N -0.25 -0.09 0.00 3.42 5.68 -1.26 -4.70 116.55 119.35 1gjx n ASP 41 Ca 0.00 -1.56 0.00 0.00 -0.50 0.00 0.00 54.79 52.73 1gjx n ASP 41 Cb 0.00 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 1gjx n ASP 41 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1gjx n LYS 42 N 0.06 0.00 -3.88 0.11 3.00 -1.26 -5.12 118.16 111.07 1gjx n LYS 42 Ca -0.05 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.90 1gjx n LYS 42 Cb 0.66 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 35.58 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 -1.34 3.35 -0.24 3.14 0.00 -1.26 -5.08 121.76 120.33 1gjx s ALA 43 Ca 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 51.96 51.01 1gjx s ALA 43 Cb 0.00 -2.05 -0.00 0.00 0.00 0.00 0.00 23.12 21.07 1gjx s ALA 43 CO 0.00 -0.12 -0.02 0.95 0.00 0.00 0.00 175.76 176.57 1gjx s THR 44 N 0.93 3.42 0.16 0.00 -4.23 -1.26 -2.58 115.64 112.08 1gjx s THR 44 Ca 0.04 -0.59 0.08 0.00 -1.18 0.00 0.00 61.69 60.04 1gjx s THR 44 Cb -0.14 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.04 1gjx s THR 44 CO 0.03 0.33 -0.07 -0.04 -0.54 0.00 0.00 174.62 174.34 1gjx s MET 45 N 1.46 2.19 0.17 3.99 -1.94 0.22 -4.95 119.30 120.44 1gjx s MET 45 Ca 0.04 -1.16 0.01 0.00 -1.71 0.00 0.00 55.69 52.87 1gjx s MET 45 Cb -0.15 -2.26 -0.04 0.00 2.01 0.00 0.00 34.83 34.39 1gjx s MET 45 CO -0.02 0.46 0.03 0.16 -0.01 0.00 0.00 175.02 175.64 1gjx s ASP 46 N -2.72 0.90 -0.13 3.03 1.47 -1.26 0.14 116.67 118.09 1gjx s ASP 46 Ca 0.25 -1.21 -0.00 0.00 1.18 0.00 0.00 52.55 52.76 1gjx s ASP 46 Cb -0.09 0.19 0.03 0.00 -0.34 0.00 0.00 42.92 42.70 1gjx s ASP 46 CO 0.16 -0.64 -0.10 -0.69 0.68 0.00 0.00 175.17 174.58 1gjx s VAL 47 N -3.80 1.25 -0.24 2.11 1.01 -0.72 -4.87 120.40 115.13 1gjx s VAL 47 Ca 0.26 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1gjx s VAL 47 Cb 0.07 -1.25 0.34 0.00 0.00 0.00 0.00 36.38 35.54 1gjx s VAL 47 CO 0.04 0.37 1.51 -0.81 0.00 0.00 0.00 175.10 176.21 1gjx n PRO 48 N 4.87 1.66 -2.83 2.72 -0.04 -1.26 0.19 135.00 140.30 1gjx n PRO 48 Ca -0.14 -1.57 -0.03 0.00 -0.04 0.00 0.00 63.50 61.72 1gjx n PRO 48 Cb 0.50 -1.62 -0.03 0.00 -0.04 0.00 0.00 33.50 32.31 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 -0.32 -2.43 -2.17 0.55 0.00 -1.09 0.16 120.51 115.21 1gjx n ALA 49 Ca 0.31 1.28 -0.41 0.00 0.00 0.00 0.00 53.44 54.63 1gjx n ALA 49 Cb 1.08 -2.75 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 2.10 4.52 0.00 0.00 4.71 -1.26 -2.23 120.64 128.47 1gjx n GLU 50 Ca -0.22 -3.66 0.00 0.00 -0.01 0.00 0.00 57.16 53.27 1gjx n GLU 50 Cb 0.35 -2.66 0.00 0.00 -1.01 0.00 0.00 31.44 28.12 1gjx n GLU 50 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 1gjx n VAL 51 N 1.79 0.00 -2.28 2.62 3.14 -1.20 -4.99 118.33 117.40 1gjx n VAL 51 Ca 0.55 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.85 1gjx n VAL 51 Cb 0.27 0.00 0.05 0.00 -1.06 0.00 0.00 33.84 33.10 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 0.01 0.00 1.55 0.00 -1.24 -3.31 120.51 116.61 1gjx n ALA 52 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1gjx n ALA 52 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 2.21 0.21 2.99 0.00 0.00 0.20 -2.05 105.19 108.74 1gjx n GLY 53 Ca 0.06 -1.97 -0.12 0.00 0.00 0.00 0.00 46.02 43.99 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 0.00 0.36 1.61 1.01 -1.26 0.16 120.40 122.29 1gjx s VAL 54 Ca 0.00 -0.03 -0.25 0.00 0.00 0.00 0.00 61.98 61.69 1gjx s VAL 54 Cb 0.00 -0.18 -0.09 0.00 0.00 0.00 0.00 36.38 36.11 1gjx s VAL 54 CO 0.00 -0.02 1.03 -0.69 0.00 0.00 0.00 175.10 175.43 1gjx s VAL 55 N -0.00 3.79 -0.07 2.92 1.01 -1.05 0.17 120.40 127.17 1gjx s VAL 55 Ca -0.01 1.46 -0.04 0.00 0.00 0.00 0.00 61.98 63.40 1gjx s VAL 55 Cb -0.01 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1gjx s VAL 55 CO 0.00 0.09 -0.09 0.29 0.00 0.00 0.00 175.10 175.39 1gjx n LYS 56 N 0.27 0.15 -3.89 2.72 4.76 0.41 -1.05 118.16 121.54 1gjx n LYS 56 Ca 0.03 0.07 -0.24 0.00 -2.87 0.00 0.00 58.31 55.30 1gjx n LYS 56 Cb 0.49 -0.76 -0.04 0.00 -1.84 0.00 0.00 35.03 32.88 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 -2.13 2.33 -0.29 1.97 2.02 -1.11 -4.79 118.70 116.69 1gjx s GLU 57 Ca -0.10 -1.83 -0.14 0.00 0.02 0.00 0.00 54.97 52.92 1gjx s GLU 57 Cb 0.04 -2.13 0.13 0.00 0.10 0.00 0.00 34.13 32.27 1gjx s GLU 57 CO 0.13 -0.33 0.80 0.54 0.02 0.00 0.00 175.26 176.42 1gjx s VAL 58 N -2.63 -0.49 -0.47 2.63 0.11 -1.26 -3.19 120.40 115.11 1gjx s VAL 58 Ca 0.40 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.53 1gjx s VAL 58 Cb -0.00 -1.00 0.28 0.00 -1.53 0.00 0.00 36.38 34.12 1gjx s VAL 58 CO 0.23 0.00 0.66 0.29 -3.33 0.00 0.00 175.10 172.95 1gjx n LYS 59 N 4.79 1.47 -3.59 1.54 5.02 0.42 -4.95 118.16 122.85 1gjx n LYS 59 Ca -0.14 -3.78 -0.09 0.00 -2.02 0.00 0.00 58.31 52.28 1gjx n LYS 59 Cb 0.54 -1.67 -0.05 0.00 -0.02 0.00 0.00 35.03 33.83 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 -2.06 0.00 0.00 -0.18 0.11 -1.26 -4.62 120.40 112.39 1gjx s VAL 60 Ca 0.39 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.44 1gjx s VAL 60 Cb 0.21 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 34.06 1gjx s VAL 60 CO -0.08 0.00 0.00 0.29 -3.33 0.00 0.00 175.10 171.98 1gjx n LYS 61 N 0.68 1.48 -1.27 1.54 4.76 -1.26 -4.98 118.16 119.10 1gjx n LYS 61 Ca -0.08 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.06 1gjx n LYS 61 Cb 0.58 0.00 0.12 0.00 -1.84 0.00 0.00 35.03 33.89 1gjx n LYS 61 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58 1gjx n VAL 62 N 0.00 3.44 0.00 -0.18 3.14 -1.26 -4.59 118.33 118.88 1gjx n VAL 62 Ca 0.00 -2.51 0.00 0.00 -2.96 0.00 0.00 64.34 58.87 1gjx n VAL 62 Cb 0.00 -0.91 0.00 0.00 -1.06 0.00 0.00 33.84 31.87 1gjx n VAL 62 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1gjx n GLY 63 N -0.97 -1.29 3.24 7.55 0.00 -1.24 -4.66 105.19 107.83 1gjx n GLY 63 Ca 0.61 0.39 -0.13 0.00 0.00 0.00 0.00 46.02 46.89 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 1.47 -0.31 1.61 -4.77 -1.26 -4.78 116.67 108.63 1gjx s ASP 64 Ca 0.00 -1.08 -0.29 0.00 -3.30 0.00 0.00 52.55 47.88 1gjx s ASP 64 Cb 0.00 0.06 -0.00 0.00 -1.09 0.00 0.00 42.92 41.88 1gjx s ASP 64 CO 0.00 -0.46 1.44 -0.54 0.70 0.00 0.00 175.17 176.31 1gjx s LYS 65 N -3.83 3.76 0.26 2.11 3.01 -1.21 -2.41 119.74 121.43 1gjx s LYS 65 Ca 0.19 1.28 0.04 0.00 -1.01 0.00 0.00 55.97 56.47 1gjx s LYS 65 Cb 0.05 -3.98 -0.06 0.00 -1.01 0.00 0.00 37.83 32.83 1gjx s LYS 65 CO 0.01 -1.33 0.00 -1.50 0.51 0.00 0.00 175.35 173.05 1gjx s ILE 66 N 5.02 1.18 -0.07 2.17 1.10 0.28 -4.71 121.20 126.16 1gjx s ILE 66 Ca 0.63 -2.04 -0.06 0.00 -0.51 0.00 0.00 60.65 58.67 1gjx s ILE 66 Cb -0.18 -2.48 0.02 0.00 0.15 0.00 0.00 42.46 39.97 1gjx s ILE 66 CO 0.28 -0.23 0.19 -0.44 -2.11 0.00 0.00 174.94 172.62 1gjx s SER 67 N -3.38 -0.19 -0.69 4.50 0.01 -1.26 0.19 113.70 112.88 1gjx s SER 67 Ca 0.31 0.38 -0.39 0.00 1.31 0.00 0.00 55.95 57.56 1gjx s SER 67 Cb 0.06 0.36 -0.20 0.00 0.21 0.00 0.00 66.02 66.45 1gjx s SER 67 CO 0.11 -0.09 2.35 -0.62 0.41 0.00 0.00 173.24 175.41 1gjx n GLU 68 N 3.26 0.02 -0.73 12.44 4.71 -1.26 -2.72 120.64 136.35 1gjx n GLU 68 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.00 1gjx n GLU 68 Cb 0.57 -1.52 0.00 0.00 -1.01 0.00 0.00 31.44 29.48 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 7.10 0.33 0.68 0.62 0.00 -1.25 -4.89 105.19 107.78 1gjx n GLY 69 Ca 0.59 -0.48 0.04 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.51 2.44 3.25 -0.02 0.00 -1.10 -4.89 105.19 104.35 1gjx n GLY 70 Ca 0.00 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.39 -4.74 0.00 0.99 7.94 -1.25 -4.91 117.00 114.64 1gjx n LEU 71 Ca 0.09 0.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.09 1gjx n LEU 71 Cb 0.80 -2.35 0.00 0.00 0.53 0.00 0.00 43.42 42.40 1gjx n LEU 71 CO -0.02 -0.96 0.14 -0.38 -1.11 0.00 0.00 177.39 175.06 1gjx n ILE 72 N -0.29 0.00 -4.36 1.96 5.41 -0.69 -4.59 119.36 116.79 1gjx n ILE 72 Ca -0.01 0.64 -0.20 0.00 1.00 0.00 0.00 62.75 64.19 1gjx n ILE 72 Cb 0.59 -1.38 -0.13 0.00 -0.71 0.00 0.00 39.64 38.01 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 -1.15 1.08 -0.12 1.39 -7.23 -1.26 0.16 120.40 113.26 1gjx s VAL 73 Ca 0.00 -0.95 -0.03 0.00 -1.81 0.00 0.00 61.98 59.18 1gjx s VAL 73 Cb 0.00 -0.98 -0.03 0.00 0.56 0.00 0.00 36.38 35.93 1gjx s VAL 73 CO 0.00 0.02 -0.00 -0.69 -0.31 0.00 0.00 175.10 174.12 1gjx s VAL 74 N -0.81 4.26 0.39 1.32 1.01 -1.19 0.16 120.40 125.54 1gjx s VAL 74 Ca 0.02 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 61.80 1gjx s VAL 74 Cb -0.08 -2.84 -0.06 0.00 0.00 0.00 0.00 36.38 33.40 1gjx s VAL 74 CO 0.01 0.54 0.04 0.68 0.00 0.00 0.00 175.10 176.37 1gjx s VAL 75 N -0.26 1.51 -0.16 2.92 -7.23 0.48 0.16 120.40 117.82 1gjx s VAL 75 Ca 0.06 -2.00 0.16 0.00 -1.81 0.00 0.00 61.98 58.39 1gjx s VAL 75 Cb -0.12 -2.78 0.10 0.00 0.56 0.00 0.00 36.38 34.14 1gjx s VAL 75 CO 0.02 0.00 1.49 -0.08 -0.31 0.00 0.00 175.10 176.22 1gjx h GLU 76 N 1.84 0.00 0.00 4.82 4.81 0.15 0.12 114.58 126.32 1gjx h GLU 76 Ca -0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1gjx h GLU 76 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1gjx h GLU 76 CO 0.74 0.44 0.00 0.00 -0.73 0.00 0.00 179.01 179.46 1gjx n ALA 77 N -2.22 0.00 -1.53 2.92 0.00 -0.95 -3.56 120.51 115.17 1gjx n ALA 77 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.18 1gjx n ALA 77 Cb 0.69 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.03 1gjx n ALA 77 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1gjx n GLU 78 N -0.66 0.41 0.00 0.00 0.00 -0.87 -2.30 120.64 117.22 1gjx n GLU 78 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 57.16 56.95 1gjx n GLU 78 Cb 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 31.44 29.02 1gjx n GLU 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1gjx n GLY 79 N 6.21 -1.06 2.86 8.31 0.00 -1.26 -4.92 105.19 115.33 1gjx n GLY 79 Ca 0.54 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.50 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 -1.90 0.00 0.96 2.61 5.66 -1.26 -5.12 114.28 115.23 1gjx n THR 80 Ca 0.00 -0.75 0.08 0.00 -3.05 0.00 0.00 64.05 60.33 1gjx n THR 80 Cb 0.00 0.75 0.46 0.00 -1.55 0.00 0.00 70.33 69.99 1gjx n THR 80 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02