#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bj8 n ASP 2 N 0.00 0.00 -1.49 7.83 9.92 -1.26 -5.19 116.55 126.36 1bj8 n ASP 2 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1bj8 n ASP 2 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1bj8 n ASP 2 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1bj8 n LYS 3 N 0.00 1.07 -4.35 -1.24 4.01 -1.26 -5.16 118.16 111.24 1bj8 n LYS 3 Ca 0.00 0.00 -0.26 0.00 -0.51 0.00 0.00 58.31 57.54 1bj8 n LYS 3 Cb 0.00 0.00 -0.17 0.00 -0.51 0.00 0.00 35.03 34.35 1bj8 n LYS 3 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1bj8 s VAL 4 N -1.44 1.22 -0.23 -0.18 0.11 -1.26 -5.15 120.40 113.47 1bj8 s VAL 4 Ca 0.00 -0.48 -0.18 0.00 -2.93 0.00 0.00 61.98 58.39 1bj8 s VAL 4 Cb 0.00 -1.15 0.06 0.00 -1.53 0.00 0.00 36.38 33.77 1bj8 s VAL 4 CO 0.00 0.39 0.59 -1.59 -3.33 0.00 0.00 175.10 171.16 1bj8 s LYS 5 N 1.06 0.66 -1.32 1.54 -2.85 -1.26 -4.75 119.74 112.83 1bj8 s LYS 5 Ca -0.06 0.91 -0.17 0.00 -1.00 0.00 0.00 55.97 55.64 1bj8 s LYS 5 Cb -0.15 0.25 0.05 0.00 -2.06 0.00 0.00 37.83 35.92 1bj8 s LYS 5 CO -0.01 -0.11 1.88 -0.35 0.10 0.00 0.00 175.35 176.86 1bj8 n PRO 6 N 3.27 2.96 0.00 1.78 -0.04 -1.26 -4.91 135.00 136.80 1bj8 n PRO 6 Ca -0.16 -3.02 0.00 0.00 -0.04 0.00 0.00 63.50 60.28 1bj8 n PRO 6 Cb 0.56 -3.45 0.00 0.00 -0.04 0.00 0.00 33.50 30.57 1bj8 n PRO 6 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1bj8 n ASN 7 N 8.23 0.00 -4.59 3.54 3.02 -1.26 -4.46 115.26 119.75 1bj8 n ASN 7 Ca 0.49 0.00 -0.45 0.00 -0.03 0.00 0.00 54.58 54.59 1bj8 n ASN 7 Cb 0.44 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.59 1bj8 n ASN 7 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1bj8 n PRO 8 N 0.00 1.31 -1.72 3.52 -0.02 -1.26 -4.26 135.00 132.57 1bj8 n PRO 8 Ca 0.00 0.46 -0.42 0.00 -2.02 0.00 0.00 63.50 61.53 1bj8 n PRO 8 Cb 0.00 -1.86 -0.00 0.00 -0.02 0.00 0.00 33.50 31.62 1bj8 n PRO 8 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1bj8 n PRO 9 N 0.96 3.08 -0.41 0.52 -0.04 -1.26 -4.04 135.00 133.81 1bj8 n PRO 9 Ca 0.11 -2.64 -0.13 0.00 -0.04 0.00 0.00 63.50 60.80 1bj8 n PRO 9 Cb 0.30 -3.17 0.11 0.00 -0.04 0.00 0.00 33.50 30.71 1bj8 n PRO 9 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1bj8 n HIS 10 N 5.43 -3.30 -3.70 0.54 1.44 -0.45 -3.98 115.22 111.21 1bj8 n HIS 10 Ca 0.55 -0.43 -0.21 0.00 -2.01 0.00 0.00 57.72 55.62 1bj8 n HIS 10 Cb 0.36 -0.51 0.03 0.00 0.12 0.00 0.00 29.99 29.99 1bj8 n HIS 10 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1bj8 n ASN 11 N -3.89 -1.22 -4.59 4.39 3.02 -1.26 0.20 115.26 111.92 1bj8 n ASN 11 Ca 0.07 -0.82 -0.43 0.00 -0.03 0.00 0.00 54.58 53.37 1bj8 n ASN 11 Cb 0.26 -4.06 -0.02 0.00 -0.61 0.00 0.00 39.78 35.35 1bj8 n ASN 11 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1bj8 s LEU 12 N -6.66 3.56 0.09 3.41 2.96 -1.26 -4.13 118.68 116.65 1bj8 s LEU 12 Ca 0.01 0.25 0.09 0.00 -0.22 0.00 0.00 54.13 54.26 1bj8 s LEU 12 Cb -0.00 -3.33 -0.03 0.00 0.50 0.00 0.00 46.19 43.33 1bj8 s LEU 12 CO 0.81 -1.37 -0.23 -0.55 -1.32 0.00 0.00 176.35 173.69 1bj8 s SER 13 N 2.72 2.80 -0.39 3.68 0.15 0.55 -4.67 113.70 118.54 1bj8 s SER 13 Ca 0.45 -0.66 0.06 0.00 0.70 0.00 0.00 55.95 56.49 1bj8 s SER 13 Cb -0.07 -0.19 0.58 0.00 -1.71 0.00 0.00 66.02 64.62 1bj8 s SER 13 CO 0.28 0.13 1.71 1.33 1.20 0.00 0.00 173.24 177.89 1bj8 n VAL 14 N 1.25 2.94 -1.63 4.45 0.24 -1.26 -0.20 118.33 124.12 1bj8 n VAL 14 Ca -0.18 -2.46 -0.57 0.00 -2.04 0.00 0.00 64.34 59.09 1bj8 n VAL 14 Cb 0.53 -0.49 -0.08 0.00 -1.47 0.00 0.00 33.84 32.34 1bj8 n VAL 14 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 1bj8 n ILE 15 N -1.11 0.26 -3.10 1.34 -5.35 -0.72 -4.11 119.36 106.57 1bj8 n ILE 15 Ca 0.48 -0.09 -0.39 0.00 -0.27 0.00 0.00 62.75 62.48 1bj8 n ILE 15 Cb 1.30 -1.24 -0.06 0.00 -1.74 0.00 0.00 39.64 37.90 1bj8 n ILE 15 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1bj8 s ASN 16 N 4.43 7.21 -1.15 7.28 2.20 -1.26 -0.87 114.94 132.78 1bj8 s ASN 16 Ca 1.02 1.43 -0.20 0.00 -0.94 0.00 0.00 52.86 54.17 1bj8 s ASN 16 Cb -1.07 -2.43 0.06 0.00 -2.00 0.00 0.00 41.25 35.81 1bj8 s ASN 16 CO 0.63 0.19 1.58 -0.55 -2.94 0.00 0.00 177.10 176.01 1bj8 s SER 17 N -0.85 6.67 0.00 3.54 0.15 -1.26 -4.88 113.70 117.07 1bj8 s SER 17 Ca 0.33 -1.95 0.00 0.00 0.70 0.00 0.00 55.95 55.03 1bj8 s SER 17 Cb -0.21 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 1bj8 s SER 17 CO 0.22 -1.33 0.00 1.21 1.20 0.00 0.00 173.24 174.54 1bj8 n GLU 18 N 8.55 0.00 0.05 5.44 2.13 -1.26 -0.77 120.64 134.78 1bj8 n GLU 18 Ca 0.40 0.00 0.11 0.00 0.66 0.00 0.00 57.16 58.34 1bj8 n GLU 18 Cb 0.48 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.20 1bj8 n GLU 18 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1bj8 n GLU 19 N 0.00 0.44 -2.13 5.31 1.02 -1.26 -4.89 120.64 119.13 1bj8 n GLU 19 Ca 0.00 0.02 -0.29 0.00 -0.02 0.00 0.00 57.16 56.87 1bj8 n GLU 19 Cb 0.00 -1.67 -0.05 0.00 -0.02 0.00 0.00 31.44 29.70 1bj8 n GLU 19 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1bj8 s LEU 20 N -4.52 3.21 0.00 -4.62 1.43 0.05 -4.82 118.68 109.41 1bj8 s LEU 20 Ca 0.01 -0.99 0.00 0.00 -1.03 0.00 0.00 54.13 52.12 1bj8 s LEU 20 Cb 0.13 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.78 1bj8 s LEU 20 CO 0.80 -2.59 0.39 -1.20 0.23 0.00 0.00 176.35 173.98 1bj8 n SER 21 N 13.23 0.52 0.00 2.29 7.64 -1.26 -1.95 113.62 134.09 1bj8 n SER 21 Ca 0.40 -1.30 0.00 0.00 1.01 0.00 0.00 58.87 58.98 1bj8 n SER 21 Cb 0.47 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 1bj8 n SER 21 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1bj8 n SER 22 N 0.04 0.17 -3.89 6.43 7.64 -1.26 -3.61 113.62 119.15 1bj8 n SER 22 Ca 0.00 -0.51 -0.14 0.00 1.01 0.00 0.00 58.87 59.23 1bj8 n SER 22 Cb 0.13 0.49 -0.14 0.00 -1.01 0.00 0.00 64.21 63.68 1bj8 n SER 22 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1bj8 s ILE 23 N -0.49 0.15 -0.05 0.44 1.01 -0.82 -1.65 121.20 119.78 1bj8 s ILE 23 Ca 0.00 -0.05 0.05 0.00 0.00 0.00 0.00 60.65 60.65 1bj8 s ILE 23 Cb 0.00 -0.15 -0.00 0.00 0.01 0.00 0.00 42.46 42.31 1bj8 s ILE 23 CO 0.00 0.06 -0.20 -0.76 0.00 0.00 0.00 174.94 174.04 1bj8 s LEU 24 N 0.14 1.97 -0.46 2.97 2.01 -0.83 -4.46 118.68 120.02 1bj8 s LEU 24 Ca -0.01 -0.43 -0.20 0.00 0.01 0.00 0.00 54.13 53.51 1bj8 s LEU 24 Cb -0.03 -1.15 0.03 0.00 0.01 0.00 0.00 46.19 45.06 1bj8 s LEU 24 CO -0.00 0.18 0.61 -0.75 1.01 0.00 0.00 176.35 177.40 1bj8 s LYS 25 N 0.01 3.21 -0.51 1.70 2.20 -0.05 -0.93 119.74 125.37 1bj8 s LYS 25 Ca -0.05 -0.57 -0.25 0.00 -0.36 0.00 0.00 55.97 54.74 1bj8 s LYS 25 Cb -0.13 -3.99 0.03 0.00 -1.51 0.00 0.00 37.83 32.23 1bj8 s LYS 25 CO 0.03 -1.05 0.95 -1.17 -0.36 0.00 0.00 175.35 173.75 1bj8 s LEU 26 N 2.70 4.01 -0.06 5.43 2.96 -0.02 -1.75 118.68 131.94 1bj8 s LEU 26 Ca 0.19 -0.09 0.00 0.00 -0.22 0.00 0.00 54.13 54.01 1bj8 s LEU 26 Cb -0.16 -3.03 -0.03 0.00 0.50 0.00 0.00 46.19 43.47 1bj8 s LEU 26 CO 0.16 -1.16 -0.04 0.42 -1.32 0.00 0.00 176.35 174.41 1bj8 s THR 27 N 3.94 3.97 0.24 3.68 -4.23 0.72 -0.14 115.64 123.81 1bj8 s THR 27 Ca 0.34 -0.43 -0.07 0.00 -1.18 0.00 0.00 61.69 60.35 1bj8 s THR 27 Cb -0.11 -2.66 -0.02 0.00 1.34 0.00 0.00 72.50 71.05 1bj8 s THR 27 CO 0.23 0.56 0.34 -1.66 -0.54 0.00 0.00 174.62 173.55 1bj8 s TRP 28 N -0.88 0.75 -0.29 3.99 -2.14 0.56 -0.33 118.94 120.61 1bj8 s TRP 28 Ca 0.14 -1.04 0.03 0.00 2.66 0.00 0.00 56.10 57.88 1bj8 s TRP 28 Cb -0.11 -0.14 0.07 0.00 -3.10 0.00 0.00 33.47 30.19 1bj8 s TRP 28 CO 0.03 -0.86 -0.06 0.99 -2.66 0.00 0.00 176.95 174.39 1bj8 s THR 29 N -3.99 2.29 0.59 0.66 2.01 0.13 -4.53 115.64 112.81 1bj8 s THR 29 Ca 0.30 -1.79 -0.18 0.00 0.31 0.00 0.00 61.69 60.33 1bj8 s THR 29 Cb 0.02 -2.43 -0.08 0.00 0.01 0.00 0.00 72.50 70.02 1bj8 s THR 29 CO 0.11 -0.18 0.50 -0.46 -0.69 0.00 0.00 174.62 173.90 1bj8 n ASN 30 N 4.41 -1.18 -0.30 3.53 6.94 -1.26 -1.34 115.26 126.06 1bj8 n ASN 30 Ca -0.10 0.71 -0.03 0.00 -0.02 0.00 0.00 54.58 55.15 1bj8 n ASN 30 Cb 0.42 -1.17 0.00 0.00 -2.36 0.00 0.00 39.78 36.68 1bj8 n ASN 30 CO 0.00 0.00 0.00 -2.65 -1.03 0.00 0.00 177.26 173.58 1bj8 n PRO 31 N -0.09 -0.22 0.00 -0.53 -0.02 -1.26 -4.70 135.00 128.19 1bj8 n PRO 31 Ca 0.11 1.16 0.00 0.00 -2.02 0.00 0.00 63.50 62.76 1bj8 n PRO 31 Cb 0.48 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.24 1bj8 n PRO 31 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1bj8 n SER 32 N -5.08 0.00 -3.81 2.55 3.41 -1.26 -4.99 113.62 104.45 1bj8 n SER 32 Ca 0.06 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.23 1bj8 n SER 32 Cb 0.28 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.19 1bj8 n SER 32 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1bj8 n ILE 33 N 0.00 1.24 -0.39 -1.33 5.41 -1.26 -5.04 119.36 118.00 1bj8 n ILE 33 Ca 0.00 -0.31 0.00 0.00 1.00 0.00 0.00 62.75 63.44 1bj8 n ILE 33 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1bj8 n ILE 33 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1bj8 n LYS 34 N 0.98 3.44 -0.35 0.38 5.02 -1.26 -4.97 118.16 121.40 1bj8 n LYS 34 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 1bj8 n LYS 34 Cb 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.18 1bj8 n LYS 34 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1bj8 n SER 35 N 0.00 3.96 -1.64 4.39 3.41 -1.26 -4.69 113.62 117.79 1bj8 n SER 35 Ca 0.00 -2.04 -0.04 0.00 -0.26 0.00 0.00 58.87 56.54 1bj8 n SER 35 Cb 0.00 -0.83 0.01 0.00 -0.26 0.00 0.00 64.21 63.13 1bj8 n SER 35 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1bj8 n VAL 36 N 1.51 0.00 -2.61 -3.33 3.14 -1.26 -5.12 118.33 110.66 1bj8 n VAL 36 Ca 0.00 -0.41 -0.02 0.00 -2.96 0.00 0.00 64.34 60.95 1bj8 n VAL 36 Cb 0.39 0.36 -0.01 0.00 -1.06 0.00 0.00 33.84 33.51 1bj8 n VAL 36 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1bj8 n ILE 37 N -0.19 -6.38 -1.76 1.55 2.08 -1.26 -4.88 119.36 108.52 1bj8 n ILE 37 Ca -0.02 1.35 -0.42 0.00 0.56 0.00 0.00 62.75 64.22 1bj8 n ILE 37 Cb 0.21 -4.09 -0.03 0.00 -0.75 0.00 0.00 39.64 34.98 1bj8 n ILE 37 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 1bj8 s ILE 38 N -0.29 2.80 -0.12 1.39 1.01 -1.26 -4.76 121.20 119.97 1bj8 s ILE 38 Ca -0.09 0.17 -0.04 0.00 0.00 0.00 0.00 60.65 60.69 1bj8 s ILE 38 Cb 0.01 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 1bj8 s ILE 38 CO 0.23 -0.00 0.03 -0.76 0.00 0.00 0.00 174.94 174.44 1bj8 s LEU 39 N 3.17 3.73 -0.16 2.97 1.02 -1.26 -0.55 118.68 127.60 1bj8 s LEU 39 Ca 0.81 0.16 -0.02 0.00 0.02 0.00 0.00 54.13 55.09 1bj8 s LEU 39 Cb -0.43 -1.89 -0.02 0.00 0.02 0.00 0.00 46.19 43.87 1bj8 s LEU 39 CO 0.36 0.32 -0.08 -0.75 0.02 0.00 0.00 176.35 176.22 1bj8 s LYS 40 N -0.50 3.47 -0.05 1.70 2.20 0.20 -1.69 119.74 125.07 1bj8 s LYS 40 Ca 0.09 -0.62 0.06 0.00 -0.36 0.00 0.00 55.97 55.15 1bj8 s LYS 40 Cb -0.12 -2.80 -0.01 0.00 -1.51 0.00 0.00 37.83 33.39 1bj8 s LYS 40 CO 0.02 0.13 -0.24 0.71 -0.36 0.00 0.00 175.35 175.61 1bj8 s TYR 41 N 0.60 2.36 -0.49 4.03 1.51 0.04 -1.19 117.35 124.21 1bj8 s TYR 41 Ca -0.05 -0.67 -0.13 0.00 -1.01 0.00 0.00 57.07 55.21 1bj8 s TYR 41 Cb -0.15 -1.55 0.11 0.00 -0.11 0.00 0.00 41.96 40.26 1bj8 s TYR 41 CO 0.03 -0.19 0.40 1.21 -1.11 0.00 0.00 175.55 175.89 1bj8 s ASN 42 N -0.20 5.96 -0.44 2.29 2.47 -0.88 -3.89 114.94 120.25 1bj8 s ASN 42 Ca -0.02 -1.71 -0.12 0.00 0.42 0.00 0.00 52.86 51.43 1bj8 s ASN 42 Cb -0.13 -2.12 0.07 0.00 -1.45 0.00 0.00 41.25 37.62 1bj8 s ASN 42 CO 0.03 -0.73 0.31 -0.63 -3.72 0.00 0.00 177.10 172.36 1bj8 s ILE 43 N 1.51 4.72 -0.18 -5.21 1.01 -1.23 -2.88 121.20 118.94 1bj8 s ILE 43 Ca 0.04 -1.18 -0.10 0.00 0.00 0.00 0.00 60.65 59.41 1bj8 s ILE 43 Cb -0.27 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.33 1bj8 s ILE 43 CO 0.02 -0.50 0.16 -1.10 0.00 0.00 0.00 174.94 173.52 1bj8 s GLN 44 N 1.54 4.06 0.28 2.79 -0.21 0.17 -0.09 119.66 128.20 1bj8 s GLN 44 Ca 0.03 -0.16 0.10 0.00 0.02 0.00 0.00 55.36 55.36 1bj8 s GLN 44 Cb -0.23 -3.38 -0.05 0.00 1.00 0.00 0.00 33.01 30.36 1bj8 s GLN 44 CO 0.05 0.38 -0.07 1.52 -2.12 0.00 0.00 175.29 175.05 1bj8 s TYR 45 N 0.11 2.53 -0.03 0.91 1.13 -1.24 -0.65 117.35 120.11 1bj8 s TYR 45 Ca 0.10 -0.30 -0.31 0.00 -1.41 0.00 0.00 57.07 55.16 1bj8 s TYR 45 Cb -0.11 -1.17 0.12 0.00 -1.10 0.00 0.00 41.96 39.70 1bj8 s TYR 45 CO -0.00 0.63 1.30 -0.98 -2.51 0.00 0.00 175.55 173.99 1bj8 s ARG 46 N -3.62 0.37 0.48 -3.49 1.70 -0.52 -0.62 118.95 113.25 1bj8 s ARG 46 Ca 0.31 -0.20 -0.22 0.00 -0.47 0.00 0.00 55.73 55.15 1bj8 s ARG 46 Cb -0.05 0.13 -0.07 0.00 -0.57 0.00 0.00 34.95 34.39 1bj8 s ARG 46 CO 0.18 -0.17 1.13 -0.08 -1.08 0.00 0.00 175.30 175.28 1bj8 s THR 47 N -2.40 3.27 0.49 4.99 -1.32 -1.26 -0.42 115.64 118.99 1bj8 s THR 47 Ca 0.14 0.89 0.36 0.00 -1.21 0.00 0.00 61.69 61.87 1bj8 s THR 47 Cb 0.05 -3.42 0.56 0.00 -1.51 0.00 0.00 72.50 68.19 1bj8 s THR 47 CO -0.04 -0.08 1.66 0.50 -2.21 0.00 0.00 174.62 174.46 1bj8 h LYS 48 N 1.80 0.07 -0.46 7.08 1.63 -1.29 -0.89 116.57 124.50 1bj8 h LYS 48 Ca -0.49 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 1bj8 h LYS 48 Cb 1.24 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 1bj8 h LYS 48 CO 0.59 0.05 0.00 -3.47 -3.45 0.00 0.00 179.45 173.17 1bj8 n ASP 49 N -4.37 4.16 -4.82 4.20 2.03 -1.26 -5.00 116.55 111.49 1bj8 n ASP 49 Ca 0.36 -2.55 -0.37 0.00 0.52 0.00 0.00 54.79 52.75 1bj8 n ASP 49 Cb 1.51 -0.50 -0.06 0.00 -0.72 0.00 0.00 41.12 41.35 1bj8 n ASP 49 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bj8 s ALA 50 N -2.01 3.52 0.00 -1.67 0.00 -0.34 -5.01 121.76 116.25 1bj8 s ALA 50 Ca 0.42 0.03 -0.25 0.00 0.00 0.00 0.00 51.96 52.16 1bj8 s ALA 50 Cb 0.29 -2.66 -0.16 0.00 0.00 0.00 0.00 23.12 20.59 1bj8 s ALA 50 CO 0.17 0.39 1.18 0.77 0.00 0.00 0.00 175.76 178.27 1bj8 h SER 51 N 3.78 -0.37 -2.92 0.00 0.02 -1.95 -3.47 113.55 108.64 1bj8 h SER 51 Ca -0.49 -0.17 -0.62 0.00 -0.84 0.00 0.00 61.79 59.68 1bj8 h SER 51 Cb 1.20 0.10 -0.17 0.00 0.14 0.00 0.00 62.40 63.67 1bj8 h SER 51 CO 0.65 0.01 -0.80 0.42 -1.14 0.00 0.00 176.83 175.97 1bj8 s THR 52 N -4.52 2.32 0.25 -2.27 -4.23 -1.26 -5.14 115.64 100.79 1bj8 s THR 52 Ca -0.14 -2.14 -0.16 0.00 -1.18 0.00 0.00 61.69 58.06 1bj8 s THR 52 Cb 0.02 -2.15 -0.08 0.00 1.34 0.00 0.00 72.50 71.63 1bj8 s THR 52 CO 0.52 -0.24 0.69 0.26 -0.54 0.00 0.00 174.62 175.31 1bj8 s TRP 53 N -2.01 3.52 0.00 3.99 0.52 -1.26 -4.97 118.94 118.73 1bj8 s TRP 53 Ca 0.23 1.23 0.00 0.00 0.02 0.00 0.00 56.10 57.59 1bj8 s TRP 53 Cb -0.07 -2.52 0.00 0.00 -1.15 0.00 0.00 33.47 29.73 1bj8 s TRP 53 CO 0.11 0.25 0.00 0.45 0.02 0.00 0.00 176.95 177.78 1bj8 n SER 54 N 0.26 0.00 -3.67 2.95 2.88 0.21 -4.98 113.62 111.27 1bj8 n SER 54 Ca -0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1bj8 n SER 54 Cb 0.52 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.90 1bj8 n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bj8 s GLN 55 N 3.17 0.64 -0.46 -1.46 -2.07 -1.26 -3.66 119.66 114.56 1bj8 s GLN 55 Ca 0.00 0.90 -0.06 0.00 -1.82 0.00 0.00 55.36 54.38 1bj8 s GLN 55 Cb 0.00 0.23 0.12 0.00 -1.09 0.00 0.00 33.01 32.27 1bj8 s GLN 55 CO 0.00 -0.11 0.29 0.42 -1.32 0.00 0.00 175.29 174.58 1bj8 s ILE 56 N 0.79 3.75 0.54 3.63 -1.09 0.87 -4.80 121.20 124.89 1bj8 s ILE 56 Ca -0.04 -2.03 -0.22 0.00 -2.23 0.00 0.00 60.65 56.13 1bj8 s ILE 56 Cb -0.05 -3.51 -0.05 0.00 -1.58 0.00 0.00 42.46 37.27 1bj8 s ILE 56 CO -0.06 -0.75 1.35 -2.16 -1.23 0.00 0.00 174.94 172.09 1bj8 s PRO 57 N 1.11 3.16 -1.00 2.79 0.04 -1.26 -3.52 135.00 136.31 1bj8 s PRO 57 Ca 0.08 2.21 -0.24 0.00 0.04 0.00 0.00 61.00 63.09 1bj8 s PRO 57 Cb -0.24 -2.25 -0.15 0.00 0.04 0.00 0.00 34.50 31.90 1bj8 s PRO 57 CO -0.03 -1.17 1.93 -0.35 0.04 0.00 0.00 177.00 177.43 1bj8 n PRO 58 N -1.03 1.25 0.03 0.56 -0.04 -1.25 -4.26 135.00 130.27 1bj8 n PRO 58 Ca 0.10 -2.13 0.00 0.00 -0.04 0.00 0.00 63.50 61.44 1bj8 n PRO 58 Cb 0.45 -3.51 0.00 0.00 -0.04 0.00 0.00 33.50 30.40 1bj8 n PRO 58 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1bj8 n GLU 59 N 7.97 0.00 -0.03 0.54 1.02 -1.26 -4.45 120.64 124.43 1bj8 n GLU 59 Ca 0.45 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.49 1bj8 n GLU 59 Cb 0.45 -0.32 -0.04 0.00 -0.02 0.00 0.00 31.44 31.51 1bj8 n GLU 59 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1bj8 h ASP 60 N 0.00 0.18 -0.54 1.62 5.19 -1.98 -3.13 116.42 117.76 1bj8 h ASP 60 Ca 0.00 -0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.09 1bj8 h ASP 60 Cb 0.00 -0.04 -0.13 0.00 0.18 0.00 0.00 39.33 39.34 1bj8 h ASP 60 CO 0.00 0.13 0.31 0.35 -3.12 0.00 0.00 179.24 176.91 1bj8 n THR 61 N -4.98 2.85 -0.45 0.35 -2.24 -1.26 -3.97 114.28 104.58 1bj8 n THR 61 Ca -0.03 -1.85 0.05 0.00 -2.27 0.00 0.00 64.05 59.94 1bj8 n THR 61 Cb 0.04 -1.46 0.10 0.00 -2.10 0.00 0.00 70.33 66.90 1bj8 n THR 61 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bj8 n ALA 62 N 0.74 2.23 -2.79 6.98 0.00 -1.18 -0.78 120.51 125.70 1bj8 n ALA 62 Ca 0.33 -1.64 -0.03 0.00 0.00 0.00 0.00 53.44 52.10 1bj8 n ALA 62 Cb 0.59 -0.27 0.01 0.00 0.00 0.00 0.00 19.45 19.78 1bj8 n ALA 62 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1bj8 s SER 63 N -1.63 -1.13 0.00 0.00 0.15 -1.01 -4.68 113.70 105.40 1bj8 s SER 63 Ca 0.18 -1.21 0.00 0.00 0.70 0.00 0.00 55.95 55.62 1bj8 s SER 63 Cb 0.14 1.47 0.00 0.00 -1.71 0.00 0.00 66.02 65.92 1bj8 s SER 63 CO 0.05 -0.05 0.00 0.41 1.20 0.00 0.00 173.24 174.84 1bj8 n THR 64 N 3.07 -1.01 -0.09 6.45 -1.04 -0.68 -4.84 114.28 116.14 1bj8 n THR 64 Ca 0.15 0.09 -0.15 0.00 -2.04 0.00 0.00 64.05 62.10 1bj8 n THR 64 Cb 0.59 -2.17 -0.05 0.00 -1.82 0.00 0.00 70.33 66.88 1bj8 n THR 64 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1bj8 n ARG 65 N 2.04 0.49 0.00 -2.82 5.12 -1.26 -4.98 116.66 115.25 1bj8 n ARG 65 Ca 0.00 0.20 0.00 0.00 -1.93 0.00 0.00 57.85 56.12 1bj8 n ARG 65 Cb 0.09 -1.35 0.00 0.00 -1.16 0.00 0.00 32.46 30.04 1bj8 n ARG 65 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1bj8 n SER 66 N -4.26 0.00 -3.73 0.55 3.41 -1.26 -4.84 113.62 103.49 1bj8 n SER 66 Ca -0.26 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.22 1bj8 n SER 66 Cb 0.60 -1.02 -0.08 0.00 -0.26 0.00 0.00 64.21 63.46 1bj8 n SER 66 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1bj8 s SER 67 N -1.64 -0.21 -0.23 4.04 1.04 -1.26 -0.32 113.70 115.11 1bj8 s SER 67 Ca 0.00 0.02 -0.08 0.00 0.48 0.00 0.00 55.95 56.37 1bj8 s SER 67 Cb 0.00 0.36 0.10 0.00 0.10 0.00 0.00 66.02 66.58 1bj8 s SER 67 CO 0.00 -0.55 0.50 0.12 0.98 0.00 0.00 173.24 174.29 1bj8 s PHE 68 N -1.92 -0.98 -0.83 5.02 5.36 0.81 -5.00 117.98 120.44 1bj8 s PHE 68 Ca -0.09 1.79 -0.26 0.00 -0.96 0.00 0.00 56.93 57.42 1bj8 s PHE 68 Cb -0.03 0.47 0.03 0.00 -0.34 0.00 0.00 43.02 43.16 1bj8 s PHE 68 CO 0.01 -0.54 1.39 0.99 -1.46 0.00 0.00 175.22 175.61 1bj8 s THR 69 N 2.66 3.75 -0.10 0.12 2.01 -1.26 -0.84 115.64 121.98 1bj8 s THR 69 Ca -0.03 0.00 -0.28 0.00 0.31 0.00 0.00 61.69 61.69 1bj8 s THR 69 Cb -0.12 -4.87 -0.02 0.00 0.01 0.00 0.00 72.50 67.50 1bj8 s THR 69 CO -0.15 -1.80 0.93 -0.69 -0.69 0.00 0.00 174.62 172.23 1bj8 s VAL 70 N 5.85 4.84 0.32 3.82 1.01 -0.10 -4.97 120.40 131.16 1bj8 s VAL 70 Ca 0.42 1.89 0.10 0.00 0.00 0.00 0.00 61.98 64.39 1bj8 s VAL 70 Cb -0.06 -4.25 -0.06 0.00 0.00 0.00 0.00 36.38 32.02 1bj8 s VAL 70 CO 0.07 0.05 -0.08 -1.10 0.00 0.00 0.00 175.10 174.05 1bj8 s GLN 71 N 1.80 1.92 -0.49 2.72 -0.21 -1.26 -1.97 119.66 122.17 1bj8 s GLN 71 Ca 0.45 -1.78 -0.00 0.00 0.02 0.00 0.00 55.36 54.05 1bj8 s GLN 71 Cb -0.18 -1.84 -0.00 0.00 1.00 0.00 0.00 33.01 31.99 1bj8 s GLN 71 CO 0.18 0.21 0.41 -0.25 -2.12 0.00 0.00 175.29 173.71 1bj8 n ASP 72 N -0.82 -2.02 -4.63 5.90 8.00 -1.08 -5.00 116.55 116.90 1bj8 n ASP 72 Ca -0.05 -0.25 -0.34 0.00 0.71 0.00 0.00 54.79 54.85 1bj8 n ASP 72 Cb 0.62 -2.39 -0.10 0.00 -0.02 0.00 0.00 41.12 39.23 1bj8 n ASP 72 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1bj8 s LEU 73 N -3.78 3.42 0.10 0.64 1.02 -0.66 -5.08 118.68 114.34 1bj8 s LEU 73 Ca 0.00 0.06 -0.32 0.00 0.02 0.00 0.00 54.13 53.89 1bj8 s LEU 73 Cb -0.00 -1.78 -0.11 0.00 0.02 0.00 0.00 46.19 44.32 1bj8 s LEU 73 CO 0.30 0.35 1.80 1.17 0.02 0.00 0.00 176.35 179.99 1bj8 n LYS 74 N 2.34 2.60 -1.76 1.70 4.81 -1.26 -4.41 118.16 122.18 1bj8 n LYS 74 Ca -0.18 0.95 -0.36 0.00 -0.87 0.00 0.00 58.31 57.84 1bj8 n LYS 74 Cb 0.53 -2.81 0.06 0.00 0.02 0.00 0.00 35.03 32.83 1bj8 n LYS 74 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1bj8 s PRO 75 N 2.62 2.59 0.00 1.64 0.04 -1.24 -3.50 135.00 137.15 1bj8 s PRO 75 Ca 0.83 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.83 1bj8 s PRO 75 Cb -0.54 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.13 1bj8 s PRO 75 CO 0.39 -1.54 0.00 1.97 0.04 0.00 0.00 177.00 177.86 1bj8 n PHE 76 N -1.96 0.00 -3.64 0.56 1.16 0.08 -4.88 117.46 108.77 1bj8 n PHE 76 Ca 0.15 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.36 1bj8 n PHE 76 Cb 0.49 -0.84 -0.06 0.00 -1.61 0.00 0.00 39.48 37.46 1bj8 n PHE 76 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1bj8 s THR 77 N -1.12 5.21 -0.23 1.97 2.01 -1.23 -4.72 115.64 117.53 1bj8 s THR 77 Ca 0.00 0.57 -0.29 0.00 0.31 0.00 0.00 61.69 62.28 1bj8 s THR 77 Cb 0.00 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 68.92 1bj8 s THR 77 CO 0.00 0.56 1.14 -0.70 -0.69 0.00 0.00 174.62 174.93 1bj8 s GLU 78 N -1.15 4.20 -0.15 4.92 2.12 -1.26 -3.12 118.70 124.26 1bj8 s GLU 78 Ca 0.22 1.41 -0.04 0.00 0.36 0.00 0.00 54.97 56.91 1bj8 s GLU 78 Cb -0.15 -3.71 -0.03 0.00 0.26 0.00 0.00 34.13 30.50 1bj8 s GLU 78 CO 0.11 -0.73 -0.01 0.71 -0.54 0.00 0.00 175.26 174.80 1bj8 s TYR 79 N 3.45 3.09 -0.05 5.30 1.51 0.61 -0.73 117.35 130.52 1bj8 s TYR 79 Ca 0.49 -0.15 0.06 0.00 -1.01 0.00 0.00 57.07 56.46 1bj8 s TYR 79 Cb -0.17 -1.96 -0.02 0.00 -0.11 0.00 0.00 41.96 39.71 1bj8 s TYR 79 CO 0.11 0.08 -0.23 0.54 -1.11 0.00 0.00 175.55 174.94 1bj8 s VAL 80 N 0.18 2.26 0.05 0.71 0.11 0.44 -0.43 120.40 123.72 1bj8 s VAL 80 Ca -0.00 -1.00 0.09 0.00 -2.93 0.00 0.00 61.98 58.14 1bj8 s VAL 80 Cb -0.13 -1.83 -0.03 0.00 -1.53 0.00 0.00 36.38 32.86 1bj8 s VAL 80 CO 0.02 0.57 -0.26 -0.36 -3.33 0.00 0.00 175.10 171.74 1bj8 s PHE 81 N -0.31 2.30 -0.04 1.54 0.08 0.81 -1.43 117.98 120.92 1bj8 s PHE 81 Ca 0.01 -0.41 -0.01 0.00 0.12 0.00 0.00 56.93 56.64 1bj8 s PHE 81 Cb -0.13 -1.37 0.03 0.00 -0.57 0.00 0.00 43.02 40.99 1bj8 s PHE 81 CO 0.02 0.14 0.04 0.50 -0.10 0.00 0.00 175.22 175.82 1bj8 s ARG 82 N -1.29 0.11 0.03 0.44 3.52 0.17 -0.85 118.95 121.08 1bj8 s ARG 82 Ca 0.12 0.27 0.04 0.00 -0.13 0.00 0.00 55.73 56.03 1bj8 s ARG 82 Cb -0.10 -0.57 -0.02 0.00 -1.56 0.00 0.00 34.95 32.70 1bj8 s ARG 82 CO 0.02 -0.28 -0.13 -1.50 -0.81 0.00 0.00 175.30 172.60 1bj8 s ILE 83 N 1.86 1.03 0.06 4.11 2.07 -1.24 -0.66 121.20 128.42 1bj8 s ILE 83 Ca 0.01 -0.90 -0.10 0.00 -1.41 0.00 0.00 60.65 58.25 1bj8 s ILE 83 Cb -0.12 -0.93 0.01 0.00 0.13 0.00 0.00 42.46 41.55 1bj8 s ILE 83 CO -0.03 0.03 0.22 0.00 -1.91 0.00 0.00 174.94 173.25 1bj8 s ARG 84 N -1.00 0.77 0.07 3.50 1.70 -1.14 -1.18 118.95 121.68 1bj8 s ARG 84 Ca 0.01 -0.70 0.09 0.00 -0.47 0.00 0.00 55.73 54.67 1bj8 s ARG 84 Cb -0.07 0.32 -0.03 0.00 -0.57 0.00 0.00 34.95 34.60 1bj8 s ARG 84 CO 0.01 -0.24 -0.23 0.00 -1.08 0.00 0.00 175.30 173.76 1bj8 s MET 86 N -1.54 0.84 0.38 0.00 0.23 -0.33 -3.92 119.30 114.95 1bj8 s MET 86 Ca 0.14 -0.94 -0.26 0.00 -1.03 0.00 0.00 55.69 53.60 1bj8 s MET 86 Cb -0.10 -0.86 -0.09 0.00 -1.53 0.00 0.00 34.83 32.25 1bj8 s MET 86 CO 0.05 0.19 1.11 0.21 -2.03 0.00 0.00 175.02 174.55 1bj8 s LYS 87 N -1.69 4.21 -0.01 3.16 2.20 -1.26 -0.63 119.74 125.72 1bj8 s LYS 87 Ca -0.01 1.72 -0.17 0.00 -0.36 0.00 0.00 55.97 57.15 1bj8 s LYS 87 Cb -0.10 -2.73 -0.08 0.00 -1.51 0.00 0.00 37.83 33.41 1bj8 s LYS 87 CO 0.02 -0.15 0.45 -1.91 -0.36 0.00 0.00 175.35 173.40 1bj8 n GLU 88 N 0.24 0.00 0.00 4.03 2.13 0.29 -4.60 120.64 122.73 1bj8 n GLU 88 Ca 0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.85 1bj8 n GLU 88 Cb 0.47 -0.62 0.00 0.00 0.27 0.00 0.00 31.44 31.56 1bj8 n GLU 88 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1bj8 n ASP 89 N 0.65 0.00 -0.09 4.31 9.92 -1.26 -4.85 116.55 125.24 1bj8 n ASP 89 Ca 0.08 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.36 1bj8 n ASP 89 Cb 0.03 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.52 1bj8 n ASP 89 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1bj8 n GLY 90 N 0.00 -0.79 0.14 0.44 0.00 -1.26 -4.81 105.19 98.92 1bj8 n GLY 90 Ca 0.00 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.06 1bj8 n GLY 90 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1bj8 h LYS 91 N 0.43 0.00 -5.38 1.61 3.64 -1.88 -3.46 116.57 111.53 1bj8 h LYS 91 Ca 0.00 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.84 1bj8 h LYS 91 Cb 0.10 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.87 1bj8 h LYS 91 CO 0.00 0.00 1.64 0.41 -2.27 0.00 0.00 179.45 179.23 1bj8 n GLY 92 N -0.14 -0.16 3.56 5.01 0.00 -1.26 -4.88 105.19 107.32 1bj8 n GLY 92 Ca 0.02 1.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.67 1bj8 n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bj8 s TYR 93 N 9.27 2.32 0.11 1.61 2.02 -1.26 -4.94 117.35 126.47 1bj8 s TYR 93 Ca 1.22 -0.40 -0.33 0.00 -0.37 0.00 0.00 57.07 57.19 1bj8 s TYR 93 Cb -0.97 -4.51 -0.18 0.00 -0.40 0.00 0.00 41.96 35.90 1bj8 s TYR 93 CO 0.45 -1.90 0.76 0.91 -1.57 0.00 0.00 175.55 174.20 1bj8 n TRP 94 N 10.32 0.03 -2.39 2.71 5.03 -1.26 -4.05 117.44 127.82 1bj8 n TRP 94 Ca 0.34 1.00 -0.42 0.00 3.03 0.00 0.00 57.50 61.44 1bj8 n TRP 94 Cb 0.50 -2.00 -0.03 0.00 -1.03 0.00 0.00 31.31 28.75 1bj8 n TRP 94 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 1bj8 s SER 95 N -0.54 7.03 -0.26 -0.99 1.04 -1.25 -4.81 113.70 113.91 1bj8 s SER 95 Ca 0.75 2.01 -0.33 0.00 0.48 0.00 0.00 55.95 58.86 1bj8 s SER 95 Cb -1.07 -2.57 -0.09 0.00 0.10 0.00 0.00 66.02 62.38 1bj8 s SER 95 CO 0.56 -0.53 2.15 -0.67 0.98 0.00 0.00 173.24 175.73 1bj8 n ASP 96 N 4.35 2.72 0.00 7.02 2.03 -1.26 -4.69 116.55 126.72 1bj8 n ASP 96 Ca 0.10 0.43 0.00 0.00 0.52 0.00 0.00 54.79 55.84 1bj8 n ASP 96 Cb 0.46 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.48 1bj8 n ASP 96 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 1bj8 n TRP 97 N 9.96 0.00 -0.05 -0.67 7.02 -1.26 -4.57 117.44 127.87 1bj8 n TRP 97 Ca 0.34 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.69 1bj8 n TRP 97 Cb 0.31 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.11 1bj8 n TRP 97 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1bj8 h SER 98 N 0.00 -1.62 0.00 -0.99 0.87 -1.42 -3.48 113.55 106.91 1bj8 h SER 98 Ca 0.00 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1bj8 h SER 98 Cb 0.00 0.64 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 1bj8 h SER 98 CO 0.00 -0.42 0.00 1.21 -0.53 0.00 0.00 176.83 177.09 1bj8 n GLU 99 N -5.16 -2.60 -3.32 2.24 2.13 -1.26 -4.73 120.64 107.95 1bj8 n GLU 99 Ca -0.05 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.39 1bj8 n GLU 99 Cb 0.33 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.98 1bj8 n GLU 99 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1bj8 s GLU 100 N -2.00 4.28 -0.09 5.31 2.12 -1.26 -3.72 118.70 123.34 1bj8 s GLU 100 Ca 0.00 0.50 0.04 0.00 0.36 0.00 0.00 54.97 55.86 1bj8 s GLU 100 Cb 0.00 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 31.00 1bj8 s GLU 100 CO 0.00 0.27 -0.21 0.00 -0.54 0.00 0.00 175.26 174.78 1bj8 s ALA 101 N 0.24 1.95 -0.23 6.30 0.00 -0.03 -5.00 121.76 124.99 1bj8 s ALA 101 Ca 0.27 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.41 1bj8 s ALA 101 Cb -0.16 -0.75 0.04 0.00 0.00 0.00 0.00 23.12 22.25 1bj8 s ALA 101 CO 0.12 0.24 -0.14 -1.12 0.00 0.00 0.00 175.76 174.86 1bj8 s SER 102 N 0.42 3.87 -0.06 0.00 0.01 -1.26 -0.14 113.70 116.55 1bj8 s SER 102 Ca -0.18 -1.08 0.05 0.00 1.31 0.00 0.00 55.95 56.06 1bj8 s SER 102 Cb -0.17 -1.50 -0.01 0.00 0.21 0.00 0.00 66.02 64.55 1bj8 s SER 102 CO 0.08 -0.11 -0.22 -0.83 0.41 0.00 0.00 173.24 172.56 1bj8 s GLY 103 N 1.19 1.17 -0.24 3.44 0.00 0.42 -4.90 107.32 108.41 1bj8 s GLY 103 Ca -0.03 -0.91 -0.12 0.00 0.00 0.00 0.00 44.72 43.66 1bj8 s GLY 103 CO -0.08 -0.50 0.23 -0.42 0.00 0.00 0.00 173.10 172.33 1bj8 s ILE 104 N -0.02 5.31 -1.18 0.90 1.01 -1.26 -0.29 121.20 125.67 1bj8 s ILE 104 Ca -0.06 0.33 -0.14 0.00 0.00 0.00 0.00 60.65 60.78 1bj8 s ILE 104 Cb -0.14 -3.57 -0.06 0.00 0.01 0.00 0.00 42.46 38.71 1bj8 s ILE 104 CO 0.04 0.30 2.24 0.35 0.00 0.00 0.00 174.94 177.87 1bj8 n THR 105 N 4.40 2.92 0.00 2.92 -2.24 -1.18 -4.95 114.28 116.15 1bj8 n THR 105 Ca -0.13 -2.22 0.00 0.00 -2.27 0.00 0.00 64.05 59.43 1bj8 n THR 105 Cb 0.52 -2.44 0.00 0.00 -2.10 0.00 0.00 70.33 66.31 1bj8 n THR 105 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bj8 n TYR 106 N 5.76 0.00 -3.84 4.78 9.36 -1.26 -0.74 117.16 131.22 1bj8 n TYR 106 Ca 0.55 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.64 1bj8 n TYR 106 Cb 0.32 0.00 -0.14 0.00 -0.63 0.00 0.00 39.34 38.89 1bj8 n TYR 106 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1bj8 s GLU 107 N 0.00 0.02 0.09 2.98 2.02 -1.26 -3.64 118.70 118.91 1bj8 s GLU 107 Ca 0.00 0.08 -0.20 0.00 0.02 0.00 0.00 54.97 54.87 1bj8 s GLU 107 Cb 0.00 -0.06 -0.09 0.00 0.10 0.00 0.00 34.13 34.08 1bj8 s GLU 107 CO 0.00 -0.05 1.64 0.38 0.02 0.00 0.00 175.26 177.25 1bj8 h ASP 108 N 6.44 0.24 -0.01 -0.19 2.03 -1.89 -3.44 116.42 119.59 1bj8 h ASP 108 Ca -0.30 -0.15 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 1bj8 h ASP 108 Cb 1.19 -0.06 0.00 0.00 -0.83 0.00 0.00 39.33 39.62 1bj8 h ASP 108 CO 0.49 0.32 0.00 -2.11 -1.03 0.00 0.00 179.24 176.91