#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 -1.11 -3.97 0.00 4.32 -0.93 -4.37 117.00 110.95 1gjx n LEU 2 Ca 0.00 -0.53 -0.08 0.00 -0.02 0.00 0.00 56.01 55.37 1gjx n LEU 2 Cb 0.00 -0.94 -0.08 0.00 -1.62 0.00 0.00 43.42 40.78 1gjx n LEU 2 CO 0.00 -3.80 -0.18 -0.69 -1.22 0.00 0.00 177.39 171.50 1gjx s VAL 3 N -2.14 0.15 -0.31 4.08 1.01 -0.39 -4.86 120.40 117.93 1gjx s VAL 3 Ca 0.54 -1.47 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1gjx s VAL 3 Cb -0.11 -1.53 0.10 0.00 0.00 0.00 0.00 36.38 34.83 1gjx s VAL 3 CO 0.50 -0.69 0.09 -1.61 0.00 0.00 0.00 175.10 173.39 1gjx s GLU 4 N -3.91 0.85 1.03 2.72 2.02 -1.26 -1.16 118.70 118.99 1gjx s GLU 4 Ca 0.09 -1.21 -0.12 0.00 0.02 0.00 0.00 54.97 53.75 1gjx s GLU 4 Cb 0.06 -2.20 0.17 0.00 0.10 0.00 0.00 34.13 32.26 1gjx s GLU 4 CO -0.08 -0.98 0.84 1.28 0.02 0.00 0.00 175.26 176.35 1gjx n LEU 5 N 4.74 0.50 -3.63 1.80 7.99 0.51 -4.90 117.00 124.02 1gjx n LEU 5 Ca -0.01 0.15 -0.13 0.00 -0.01 0.00 0.00 56.01 56.01 1gjx n LEU 5 Cb 0.42 -1.30 -0.06 0.00 -0.11 0.00 0.00 43.42 42.37 1gjx n LEU 5 CO 0.13 -2.89 0.19 -0.54 -1.51 0.00 0.00 177.39 172.77 1gjx s LYS 6 N -4.25 0.98 0.34 3.23 3.01 -1.26 -2.42 119.74 119.37 1gjx s LYS 6 Ca 0.65 -0.38 -0.27 0.00 -1.01 0.00 0.00 55.97 54.95 1gjx s LYS 6 Cb -0.22 0.44 -0.12 0.00 -1.01 0.00 0.00 37.83 36.91 1gjx s LYS 6 CO 0.63 -0.35 1.17 0.28 0.51 0.00 0.00 175.35 177.59 1gjx n VAL 7 N 0.36 2.11 -0.58 3.17 0.31 -1.26 -4.77 118.33 117.66 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 0.61 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 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 0.50 -0.38 -2.67 5.55 -0.04 -1.26 -3.90 135.00 132.80 1gjx n PRO 8 Ca 0.07 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.11 1gjx n PRO 8 Cb 0.36 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.79 1gjx n PRO 8 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1gjx s ASP 9 N -1.32 6.43 -0.81 3.54 1.11 -1.26 -4.60 116.67 119.76 1gjx s ASP 9 Ca 0.00 -1.34 0.02 0.00 0.18 0.00 0.00 52.55 51.41 1gjx s ASP 9 Cb 0.00 -2.52 0.27 0.00 1.07 0.00 0.00 42.92 41.75 1gjx s ASP 9 CO 0.00 -1.47 1.03 2.30 1.18 0.00 0.00 175.17 178.21 1gjx n ILE 10 N 6.39 3.52 0.00 0.77 -6.64 -1.26 -4.59 119.36 117.56 1gjx n ILE 10 Ca 0.22 -5.50 0.00 0.00 -1.77 0.00 0.00 62.75 55.70 1gjx n ILE 10 Cb 0.50 -2.09 0.00 0.00 -1.44 0.00 0.00 39.64 36.60 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 1.05 1.25 0.00 3.28 0.00 -1.26 -4.34 105.19 105.17 1gjx n GLY 11 Ca 0.28 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 3.49 -0.02 0.00 -1.26 -5.18 105.19 102.23 1gjx n GLY 12 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 1.13 -0.74 1.61 0.00 -1.26 -5.11 115.29 110.92 1gjx s HIS 13 Ca 0.00 -1.35 0.03 0.00 -3.00 0.00 0.00 55.06 50.74 1gjx s HIS 13 Cb 0.00 -0.09 0.18 0.00 -4.00 0.00 0.00 32.58 28.67 1gjx s HIS 13 CO 0.00 -1.17 0.56 -1.21 -1.00 0.00 0.00 174.74 171.91 1gjx s GLU 14 N -2.91 2.66 0.00 -0.38 8.01 -1.26 -3.85 118.70 120.97 1gjx s GLU 14 Ca 0.31 -3.27 0.00 0.00 0.01 0.00 0.00 54.97 52.02 1gjx s GLU 14 Cb -0.01 -3.57 0.00 0.00 -4.31 0.00 0.00 34.13 26.24 1gjx s GLU 14 CO 0.22 -1.27 0.00 0.27 0.01 0.00 0.00 175.26 174.49 1gjx n ASN 15 N 2.17 0.00 -3.89 -0.19 6.94 -0.32 -4.81 115.26 115.16 1gjx n ASN 15 Ca 0.19 0.00 -0.19 0.00 -0.02 0.00 0.00 54.58 54.56 1gjx n ASN 15 Cb 0.35 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.61 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 0.00 0.49 0.32 3.53 -7.23 0.30 -4.82 120.40 112.98 1gjx s VAL 16 Ca 0.00 -0.11 -0.28 0.00 -1.81 0.00 0.00 61.98 59.78 1gjx s VAL 16 Cb 0.00 -0.51 -0.10 0.00 0.56 0.00 0.00 36.38 36.33 1gjx s VAL 16 CO 0.00 0.21 1.17 -1.81 -0.31 0.00 0.00 175.10 174.35 1gjx s ASP 17 N 0.83 7.01 0.73 4.85 1.01 -1.25 0.17 116.67 130.02 1gjx s ASP 17 Ca -0.11 2.39 -0.11 0.00 0.71 0.00 0.00 52.55 55.44 1gjx s ASP 17 Cb -0.14 -2.63 0.03 0.00 1.01 0.00 0.00 42.92 41.19 1gjx s ASP 17 CO 0.00 -0.34 1.07 -0.63 0.21 0.00 0.00 175.17 175.48 1gjx s ILE 18 N -1.21 3.75 0.00 0.77 1.01 -0.67 -3.45 121.20 121.41 1gjx s ILE 18 Ca 0.48 0.57 0.00 0.00 0.00 0.00 0.00 60.65 61.70 1gjx s ILE 18 Cb -0.34 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 38.83 1gjx s ILE 18 CO 0.44 -0.74 0.00 2.30 0.00 0.00 0.00 174.94 176.93 1gjx n ILE 19 N -3.22 0.00 -4.47 2.92 -5.35 -1.26 -4.29 119.36 103.69 1gjx n ILE 19 Ca 0.07 0.00 -0.27 0.00 -0.27 0.00 0.00 62.75 62.28 1gjx n ILE 19 Cb 0.54 -0.46 -0.09 0.00 -1.74 0.00 0.00 39.64 37.89 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 -1.78 3.39 -0.29 -1.28 0.00 -1.26 -4.88 121.76 115.66 1gjx s ALA 20 Ca 0.00 -2.08 -0.13 0.00 0.00 0.00 0.00 51.96 49.75 1gjx s ALA 20 Cb 0.00 -0.02 0.11 0.00 0.00 0.00 0.00 23.12 23.20 1gjx s ALA 20 CO 0.00 -0.13 0.67 0.54 0.00 0.00 0.00 175.76 176.83 1gjx s VAL 21 N -2.69 -0.55 -0.40 0.00 0.11 -1.26 -4.41 120.40 111.20 1gjx s VAL 21 Ca 0.35 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.47 1gjx s VAL 21 Cb 0.07 -1.00 0.18 0.00 -1.53 0.00 0.00 36.38 34.10 1gjx s VAL 21 CO 0.18 0.00 0.60 -1.61 -3.33 0.00 0.00 175.10 170.94 1gjx s GLU 22 N 2.33 0.78 -0.30 1.54 2.02 -0.09 -4.97 118.70 120.02 1gjx s GLU 22 Ca -0.08 -0.28 -0.07 0.00 0.02 0.00 0.00 54.97 54.55 1gjx s GLU 22 Cb -0.09 0.01 0.17 0.00 0.10 0.00 0.00 34.13 34.33 1gjx s GLU 22 CO -0.19 -1.18 0.75 0.14 0.02 0.00 0.00 175.26 174.80 1gjx s VAL 23 N 1.86 -0.80 -0.47 2.63 -7.23 -1.26 -4.59 120.40 110.54 1gjx s VAL 23 Ca 0.16 0.00 -0.01 0.00 -1.81 0.00 0.00 61.98 60.32 1gjx s VAL 23 Cb -0.06 -1.00 0.13 0.00 0.56 0.00 0.00 36.38 36.01 1gjx s VAL 23 CO -0.08 0.00 0.25 0.20 -0.31 0.00 0.00 175.10 175.17 1gjx s ASN 24 N 2.82 5.08 -0.96 4.85 -0.87 -1.26 -5.02 114.94 119.58 1gjx s ASN 24 Ca 0.07 -2.39 -0.17 0.00 -1.57 0.00 0.00 52.86 48.80 1gjx s ASN 24 Cb -0.12 -1.79 -0.28 0.00 -0.02 0.00 0.00 41.25 39.04 1gjx s ASN 24 CO -0.18 -0.44 2.33 1.33 -2.57 0.00 0.00 177.10 177.57 1gjx n VAL 25 N 4.07 -0.00 0.00 1.60 0.24 -1.26 0.39 118.33 123.36 1gjx n VAL 25 Ca 0.02 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 1gjx n VAL 25 Cb 0.39 -0.43 0.00 0.00 -1.47 0.00 0.00 33.84 32.34 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 5.90 0.99 3.77 7.63 0.00 0.19 -4.83 105.19 118.85 1gjx n GLY 26 Ca 0.64 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.37 3.39 -0.53 1.61 1.01 0.16 -4.73 116.67 117.21 1gjx s ASP 27 Ca 0.00 0.99 -0.18 0.00 0.71 0.00 0.00 52.55 54.08 1gjx s ASP 27 Cb 0.00 -1.58 0.08 0.00 1.01 0.00 0.00 42.92 42.43 1gjx s ASP 27 CO 0.00 -2.63 0.58 -0.89 0.21 0.00 0.00 175.17 172.44 1gjx s THR 28 N -3.23 4.98 0.51 -1.27 2.01 -1.26 -3.08 115.64 114.29 1gjx s THR 28 Ca 0.64 -0.89 -0.09 0.00 0.31 0.00 0.00 61.69 61.66 1gjx s THR 28 Cb -0.15 -4.32 -0.05 0.00 0.01 0.00 0.00 72.50 67.99 1gjx s THR 28 CO 0.54 -0.86 0.88 0.27 -0.69 0.00 0.00 174.62 174.76 1gjx s ILE 29 N 2.30 4.78 0.29 1.82 -4.36 0.67 -4.95 121.20 121.75 1gjx s ILE 29 Ca 0.10 0.62 0.03 0.00 -0.26 0.00 0.00 60.65 61.14 1gjx s ILE 29 Cb -0.23 -3.82 -0.01 0.00 1.25 0.00 0.00 42.46 39.65 1gjx s ILE 29 CO 0.08 -0.84 0.10 0.00 0.24 0.00 0.00 174.94 174.53 1gjx n ALA 30 N -2.09 0.41 -1.02 2.27 0.00 -1.09 -2.41 120.51 116.58 1gjx n ALA 30 Ca 0.03 -1.48 -0.19 0.00 0.00 0.00 0.00 53.44 51.80 1gjx n ALA 30 Cb 0.54 1.00 0.02 0.00 0.00 0.00 0.00 19.45 21.01 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 -0.66 2.92 0.00 0.00 0.24 -1.09 -3.41 118.33 116.33 1gjx n VAL 31 Ca -0.04 -1.96 0.00 0.00 -2.04 0.00 0.00 64.34 60.30 1gjx n VAL 31 Cb 0.44 -1.38 0.00 0.00 -1.47 0.00 0.00 33.84 31.43 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 0.39 0.00 -3.37 -1.34 5.75 -1.13 -4.88 116.55 111.98 1gjx n ASP 32 Ca 0.35 0.00 -0.11 0.00 -0.01 0.00 0.00 54.79 55.02 1gjx n ASP 32 Cb 0.58 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.58 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 0.53 -0.28 -1.12 -4.77 0.44 -4.96 116.67 106.51 1gjx s ASP 33 Ca 0.00 0.01 -0.39 0.00 -3.30 0.00 0.00 52.55 48.86 1gjx s ASP 33 Cb 0.00 0.97 -0.15 0.00 -1.09 0.00 0.00 42.92 42.65 1gjx s ASP 33 CO 0.00 -0.32 1.82 0.35 0.70 0.00 0.00 175.17 177.73 1gjx n THR 34 N 5.35 0.31 -0.03 2.11 -2.24 -1.25 -2.45 114.28 116.08 1gjx n THR 34 Ca -0.03 -0.08 -0.20 0.00 -2.27 0.00 0.00 64.05 61.47 1gjx n THR 34 Cb 0.50 -1.32 -0.14 0.00 -2.10 0.00 0.00 70.33 67.27 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 6.09 2.62 0.00 3.22 4.77 0.48 -4.77 117.00 129.41 1gjx n LEU 35 Ca 0.29 0.14 -0.07 0.00 -0.03 0.00 0.00 56.01 56.34 1gjx n LEU 35 Cb 0.15 -1.01 0.03 0.00 -2.33 0.00 0.00 43.42 40.26 1gjx n LEU 35 CO 0.80 0.85 0.53 2.30 -1.33 0.00 0.00 177.39 180.55 1gjx n ILE 36 N -3.41 0.00 -2.99 -0.08 -6.64 -1.24 -0.91 119.36 104.08 1gjx n ILE 36 Ca -0.34 -0.81 -0.15 0.00 -1.77 0.00 0.00 62.75 59.68 1gjx n ILE 36 Cb 1.04 0.85 0.00 0.00 -1.44 0.00 0.00 39.64 40.09 1gjx n ILE 36 CO 0.00 0.00 0.00 0.41 -1.77 0.00 0.00 176.55 175.19 1gjx n THR 37 N -0.52 0.17 -0.97 7.28 -1.04 -1.24 -1.65 114.28 116.31 1gjx n THR 37 Ca -0.07 -3.84 -0.37 0.00 -2.04 0.00 0.00 64.05 57.73 1gjx n THR 37 Cb 0.53 0.17 0.05 0.00 -1.82 0.00 0.00 70.33 69.26 1gjx n THR 37 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1gjx n LEU 38 N 0.16 -3.83 -3.55 -4.42 7.99 0.42 -4.14 117.00 109.62 1gjx n LEU 38 Ca 0.18 0.06 -0.10 0.00 -0.01 0.00 0.00 56.01 56.15 1gjx n LEU 38 Cb 0.71 -0.65 -0.04 0.00 -0.11 0.00 0.00 43.42 43.33 1gjx n LEU 38 CO 0.21 -3.76 0.75 -0.70 -1.51 0.00 0.00 177.39 172.38 1gjx s GLU 39 N -2.18 0.66 0.00 3.23 2.12 -1.22 0.16 118.70 121.46 1gjx s GLU 39 Ca 0.40 -0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.71 1gjx s GLU 39 Cb -0.02 0.31 0.00 0.00 0.26 0.00 0.00 34.13 34.68 1gjx s GLU 39 CO 0.72 -0.24 0.00 0.25 -0.54 0.00 0.00 175.26 175.45 1gjx n THR 40 N 0.36 0.00 -1.99 -1.70 -2.24 -1.05 -3.78 114.28 103.89 1gjx n THR 40 Ca -0.09 0.37 -0.05 0.00 -2.27 0.00 0.00 64.05 62.01 1gjx n THR 40 Cb 0.59 -1.37 -0.05 0.00 -2.10 0.00 0.00 70.33 67.41 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 -2.23 -0.69 0.00 3.42 5.75 -1.26 -4.81 116.55 116.73 1gjx n ASP 41 Ca 0.00 -1.68 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 1gjx n ASP 41 Cb 0.00 0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 1gjx n ASP 41 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1gjx n LYS 42 N 0.00 0.00 -3.59 0.11 4.76 -1.26 -5.12 118.16 113.05 1gjx n LYS 42 Ca -0.19 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 54.88 1gjx n LYS 42 Cb 0.63 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.73 1gjx n LYS 42 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1gjx s ALA 43 N 0.00 3.59 -0.26 7.82 0.00 -1.26 -5.07 121.76 126.58 1gjx s ALA 43 Ca 0.00 -0.85 -0.07 0.00 0.00 0.00 0.00 51.96 51.04 1gjx s ALA 43 Cb 0.00 -2.41 -0.01 0.00 0.00 0.00 0.00 23.12 20.69 1gjx s ALA 43 CO 0.00 -0.27 0.06 0.95 0.00 0.00 0.00 175.76 176.50 1gjx s THR 44 N 1.23 4.09 -0.14 0.00 -4.23 -1.26 -2.51 115.64 112.81 1gjx s THR 44 Ca 0.10 -0.38 -0.12 0.00 -1.18 0.00 0.00 61.69 60.11 1gjx s THR 44 Cb -0.14 -2.97 -0.05 0.00 1.34 0.00 0.00 72.50 70.68 1gjx s THR 44 CO 0.06 0.26 0.24 -0.32 -0.54 0.00 0.00 174.62 174.32 1gjx s MET 45 N 1.56 4.04 0.04 3.99 1.75 0.42 -4.89 119.30 126.21 1gjx s MET 45 Ca 0.05 0.01 0.08 0.00 -1.25 0.00 0.00 55.69 54.59 1gjx s MET 45 Cb -0.16 -3.36 -0.03 0.00 2.84 0.00 0.00 34.83 34.13 1gjx s MET 45 CO 0.02 0.41 -0.23 0.16 -0.65 0.00 0.00 175.02 174.73 1gjx s ASP 46 N -0.02 3.44 -0.25 1.11 1.47 -1.26 0.16 116.67 121.32 1gjx s ASP 46 Ca 0.15 -0.51 -0.03 0.00 1.18 0.00 0.00 52.55 53.34 1gjx s ASP 46 Cb -0.13 -0.44 0.01 0.00 -0.34 0.00 0.00 42.92 42.03 1gjx s ASP 46 CO 0.04 0.26 -0.04 -0.69 0.68 0.00 0.00 175.17 175.42 1gjx s VAL 47 N -0.84 3.16 -0.29 2.11 1.01 -0.66 -4.97 120.40 119.92 1gjx s VAL 47 Ca 0.13 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.31 1gjx s VAL 47 Cb -0.10 -2.56 0.26 0.00 0.00 0.00 0.00 36.38 33.98 1gjx s VAL 47 CO 0.03 0.25 1.26 -0.81 0.00 0.00 0.00 175.10 175.83 1gjx n PRO 48 N 4.73 1.68 -1.58 2.72 -0.04 -1.26 0.18 135.00 141.44 1gjx n PRO 48 Ca -0.17 -1.13 0.02 0.00 -0.04 0.00 0.00 63.50 62.19 1gjx n PRO 48 Cb 0.48 -1.52 -0.01 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.04 -2.23 -3.07 0.55 0.00 -1.03 0.17 120.51 114.86 1gjx n ALA 49 Ca 0.20 0.55 -0.19 0.00 0.00 0.00 0.00 53.44 53.99 1gjx n ALA 49 Cb 0.86 -1.48 -0.04 0.00 0.00 0.00 0.00 19.45 18.79 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 -2.88 0.69 0.00 0.00 4.07 -1.26 -3.91 120.64 117.36 1gjx n GLU 50 Ca -0.01 -2.78 0.00 0.00 -0.06 0.00 0.00 57.16 54.31 1gjx n GLU 50 Cb 0.51 -1.32 0.00 0.00 -0.06 0.00 0.00 31.44 30.57 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 1.61 0.00 -3.72 6.31 0.24 -1.22 -5.00 118.33 116.55 1gjx n VAL 51 Ca 0.18 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.21 1gjx n VAL 51 Cb 0.55 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.82 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 -0.16 3.54 -2.10 2.33 0.00 -1.26 -2.67 120.51 120.18 1gjx n ALA 52 Ca 0.00 -4.48 0.00 0.00 0.00 0.00 0.00 53.44 48.96 1gjx n ALA 52 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 1.69 3.27 2.92 0.00 0.00 -1.01 0.18 105.19 112.24 1gjx n GLY 53 Ca 0.23 -0.04 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 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 1.21 0.28 0.38 1.61 1.01 -1.26 -0.24 120.40 123.39 1gjx s VAL 54 Ca 0.00 -0.13 -0.24 0.00 0.00 0.00 0.00 61.98 61.61 1gjx s VAL 54 Cb 0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 36.38 36.02 1gjx s VAL 54 CO 0.00 0.09 0.98 -0.69 0.00 0.00 0.00 175.10 175.48 1gjx s VAL 55 N 0.04 4.12 -0.05 2.92 1.01 -1.18 0.34 120.40 127.61 1gjx s VAL 55 Ca -0.00 1.58 -0.02 0.00 0.00 0.00 0.00 61.98 63.54 1gjx s VAL 55 Cb -0.03 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 1gjx s VAL 55 CO -0.00 -0.04 -0.05 0.29 0.00 0.00 0.00 175.10 175.30 1gjx n LYS 56 N 0.00 0.10 -3.95 2.72 4.76 0.25 0.57 118.16 122.62 1gjx n LYS 56 Ca 0.04 0.04 -0.25 0.00 -2.87 0.00 0.00 58.31 55.27 1gjx n LYS 56 Cb 0.51 -0.79 -0.03 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 -2.09 2.29 -0.29 1.97 2.02 -1.22 -4.75 118.70 116.64 1gjx s GLU 57 Ca -0.06 -1.92 -0.15 0.00 0.02 0.00 0.00 54.97 52.86 1gjx s GLU 57 Cb 0.02 -2.08 0.12 0.00 0.10 0.00 0.00 34.13 32.29 1gjx s GLU 57 CO 0.09 -0.41 0.78 0.54 0.02 0.00 0.00 175.26 176.29 1gjx s VAL 58 N -2.69 -0.29 -0.43 2.63 0.11 -1.25 -3.40 120.40 115.09 1gjx s VAL 58 Ca 0.36 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.49 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 0.21 0.00 0.58 0.29 -3.33 0.00 0.00 175.10 172.85 1gjx n LYS 59 N 4.51 1.03 -3.56 1.54 5.02 0.44 -4.94 118.16 122.20 1gjx n LYS 59 Ca -0.17 -3.46 -0.06 0.00 -2.02 0.00 0.00 58.31 52.60 1gjx n LYS 59 Cb 0.56 -1.42 -0.02 0.00 -0.02 0.00 0.00 35.03 34.13 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 -1.52 0.00 0.03 -0.18 0.11 -1.26 -4.49 120.40 113.09 1gjx s VAL 60 Ca 0.36 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 59.34 1gjx s VAL 60 Cb 0.18 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 34.06 1gjx s VAL 60 CO -0.09 0.00 0.33 1.17 -3.33 0.00 0.00 175.10 173.18 1gjx n LYS 61 N -0.12 0.13 -3.30 1.54 3.00 -1.26 -5.02 118.16 113.14 1gjx n LYS 61 Ca -0.04 -0.35 -0.45 0.00 -0.00 0.00 0.00 58.31 57.48 1gjx n LYS 61 Cb 0.60 0.50 0.00 0.00 0.00 0.00 0.00 35.03 36.13 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 -0.24 4.63 0.00 3.15 0.31 -1.26 -4.38 118.33 120.54 1gjx n VAL 62 Ca 0.00 -5.41 0.00 0.00 -0.01 0.00 0.00 64.34 58.92 1gjx n VAL 62 Cb 0.17 -2.54 0.00 0.00 -0.91 0.00 0.00 33.84 30.56 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 2.61 0.00 3.19 2.92 0.00 -1.26 -5.04 105.19 107.61 1gjx n GLY 63 Ca 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.17 0.21 1.61 -4.77 -1.26 -4.99 116.67 107.29 1gjx s ASP 64 Ca 0.00 0.17 -0.30 0.00 -3.30 0.00 0.00 52.55 49.12 1gjx s ASP 64 Cb 0.00 0.37 -0.08 0.00 -1.09 0.00 0.00 42.92 42.12 1gjx s ASP 64 CO 0.00 -0.33 1.08 -0.54 0.70 0.00 0.00 175.17 176.08 1gjx s LYS 65 N -0.90 4.64 0.33 2.11 1.02 -1.26 -1.67 119.74 124.00 1gjx s LYS 65 Ca -0.10 1.71 0.03 0.00 0.02 0.00 0.00 55.97 57.63 1gjx s LYS 65 Cb -0.05 -3.26 -0.05 0.00 -0.52 0.00 0.00 37.83 33.95 1gjx s LYS 65 CO 0.03 0.16 0.10 -1.50 -0.92 0.00 0.00 175.35 173.21 1gjx s ILE 66 N -0.54 0.76 -0.13 2.17 1.10 0.46 -4.82 121.20 120.20 1gjx s ILE 66 Ca 0.47 -2.00 -0.16 0.00 -0.51 0.00 0.00 60.65 58.45 1gjx s ILE 66 Cb -0.29 -2.60 0.04 0.00 0.15 0.00 0.00 42.46 39.75 1gjx s ILE 66 CO 0.36 0.00 0.43 -0.94 -2.11 0.00 0.00 174.94 172.68 1gjx s SER 67 N -3.46 -0.42 -0.90 4.50 1.04 -1.26 0.11 113.70 113.32 1gjx s SER 67 Ca 0.34 0.71 -0.25 0.00 0.48 0.00 0.00 55.95 57.22 1gjx s SER 67 Cb 0.06 0.75 -0.21 0.00 0.10 0.00 0.00 66.02 66.72 1gjx s SER 67 CO 0.15 -0.25 2.52 -0.62 0.98 0.00 0.00 173.24 176.02 1gjx n GLU 68 N 2.38 0.21 -0.02 4.02 1.02 -1.25 -2.33 120.64 124.68 1gjx n GLU 68 Ca -0.15 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 1gjx n GLU 68 Cb 0.57 -1.88 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 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 6.23 0.88 0.69 0.62 0.00 -1.25 -4.86 105.19 107.50 1gjx n GLY 69 Ca 0.60 -0.80 0.07 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.01 4.47 3.88 -0.02 0.00 -0.98 -4.89 105.19 107.64 1gjx n GLY 70 Ca 0.00 -1.11 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.90 -2.27 0.00 0.99 7.94 -1.24 -4.91 117.00 116.61 1gjx n LEU 71 Ca 0.22 -1.03 0.00 0.00 -1.11 0.00 0.00 56.01 54.08 1gjx n LEU 71 Cb 0.84 -2.23 0.00 0.00 0.53 0.00 0.00 43.42 42.56 1gjx n LEU 71 CO 0.11 0.47 0.25 -0.38 -1.11 0.00 0.00 177.39 176.73 1gjx n ILE 72 N -4.38 0.00 -4.41 1.96 5.41 -1.02 -4.45 119.36 112.48 1gjx n ILE 72 Ca -0.24 1.01 -0.22 0.00 1.00 0.00 0.00 62.75 64.30 1gjx n ILE 72 Cb 0.65 -1.71 -0.10 0.00 -0.71 0.00 0.00 39.64 37.77 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 -1.02 2.12 -0.05 1.39 -7.23 -1.26 0.17 120.40 114.51 1gjx s VAL 73 Ca 0.00 -2.27 0.03 0.00 -1.81 0.00 0.00 61.98 57.93 1gjx s VAL 73 Cb 0.00 -2.15 0.01 0.00 0.56 0.00 0.00 36.38 34.80 1gjx s VAL 73 CO 0.00 -0.46 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.50 1gjx s VAL 74 N -2.61 1.24 0.51 1.32 1.01 -1.22 0.19 120.40 120.85 1gjx s VAL 74 Ca 0.25 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.66 1gjx s VAL 74 Cb -0.04 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.25 1gjx s VAL 74 CO 0.11 0.37 0.02 1.33 0.00 0.00 0.00 175.10 176.93 1gjx n VAL 75 N 3.50 0.00 -0.04 2.92 0.24 -0.31 0.86 118.33 125.51 1gjx n VAL 75 Ca -0.20 -2.40 -0.17 0.00 -2.04 0.00 0.00 64.34 59.53 1gjx n VAL 75 Cb 0.53 0.45 -0.14 0.00 -1.47 0.00 0.00 33.84 33.21 1gjx n VAL 75 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1gjx n GLU 76 N -1.30 0.71 -1.80 7.34 2.13 0.15 -1.26 120.64 126.60 1gjx n GLU 76 Ca -0.20 0.22 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1gjx n GLU 76 Cb 0.64 -1.67 0.00 0.00 0.27 0.00 0.00 31.44 30.69 1gjx n GLU 76 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1gjx n ALA 77 N -2.95 -1.86 -4.11 4.31 0.00 -1.26 -2.18 120.51 112.46 1gjx n ALA 77 Ca -0.32 0.43 -0.44 0.00 0.00 0.00 0.00 53.44 53.11 1gjx n ALA 77 Cb 1.05 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 0.05 -0.43 0.22 0.00 0.28 0.48 -4.39 120.64 116.86 1gjx n GLU 78 Ca 0.00 0.09 0.11 0.00 -0.16 0.00 0.00 57.16 57.20 1gjx n GLU 78 Cb 0.00 -2.77 0.29 0.00 1.43 0.00 0.00 31.44 30.40 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 -2.48 0.00 -2.64 -1.84 0.00 -1.80 -3.46 103.07 90.86 1gjx h GLY 79 Ca -0.70 0.00 0.31 0.00 0.00 0.00 0.00 47.33 46.94 1gjx h GLY 79 CO 0.55 0.00 -0.48 -1.30 0.00 0.00 0.00 176.54 175.31 1gjx n THR 80 N -3.16 0.00 -1.45 4.70 -2.24 -1.26 -5.16 114.28 105.72 1gjx n THR 80 Ca 0.02 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1gjx n THR 80 Cb 0.50 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 1gjx n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50