#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v86 s SER 2 N 0.00 0.62 0.00 1.61 0.01 -1.26 -5.16 113.70 109.52 1v86 s SER 2 Ca 0.00 -1.07 0.00 0.00 1.31 0.00 0.00 55.95 56.19 1v86 s SER 2 Cb 0.00 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.43 1v86 s SER 2 CO 0.00 -0.61 0.00 -1.20 0.41 0.00 0.00 173.24 171.84 1v86 n SER 3 N -0.00 0.00 0.00 2.44 7.64 -1.26 -5.19 113.62 117.25 1v86 n SER 3 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1v86 n SER 3 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 1v86 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v86 n GLY 4 N -0.07 -0.31 3.03 0.23 0.00 -1.26 -5.18 105.19 101.64 1v86 n GLY 4 Ca 0.00 -1.00 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 1v86 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v86 s SER 5 N 0.00 0.57 0.18 1.61 0.15 -1.26 -5.02 113.70 109.94 1v86 s SER 5 Ca 0.00 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.06 1v86 s SER 5 Cb 0.00 0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 1v86 s SER 5 CO 0.00 -0.29 0.00 -0.24 1.20 0.00 0.00 173.24 173.91 1v86 n SER 6 N 1.33 -1.65 -0.32 5.45 2.88 -1.26 -5.00 113.62 115.05 1v86 n SER 6 Ca -0.22 0.58 -0.08 0.00 -1.33 0.00 0.00 58.87 57.82 1v86 n SER 6 Cb 0.56 1.79 -0.08 0.00 -0.75 0.00 0.00 64.21 65.73 1v86 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v86 n GLY 7 N -1.22 -2.57 3.72 0.46 0.00 -1.26 -4.40 105.19 99.92 1v86 n GLY 7 Ca 0.00 1.02 -0.66 0.00 0.00 0.00 0.00 46.02 46.38 1v86 n GLY 7 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1v86 n ASP 8 N -4.76 1.19 -3.64 1.61 5.75 -1.26 -4.86 116.55 110.57 1v86 n ASP 8 Ca 0.02 1.18 -0.02 0.00 -0.01 0.00 0.00 54.79 55.95 1v86 n ASP 8 Cb 0.20 -0.91 -0.02 0.00 -1.03 0.00 0.00 41.12 39.36 1v86 n ASP 8 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1v86 s ALA 9 N 2.69 -2.20 0.00 2.12 0.00 -1.26 -5.16 121.76 117.95 1v86 s ALA 9 Ca 1.03 1.91 0.00 0.00 0.00 0.00 0.00 51.96 54.90 1v86 s ALA 9 Cb -1.43 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 21.19 1v86 s ALA 9 CO 0.77 -0.52 0.00 0.41 0.00 0.00 0.00 175.76 176.43 1v86 n GLY 10 N 0.04 3.57 0.00 0.00 0.00 -1.26 -5.18 105.19 102.36 1v86 n GLY 10 Ca 0.05 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.31 1v86 n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v86 n GLY 11 N -1.20 2.88 0.00 -0.02 0.00 -1.26 -5.15 105.19 100.44 1v86 n GLY 11 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.73 1v86 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v86 n GLY 12 N -1.41 1.74 3.64 -0.02 0.00 -1.26 -5.18 105.19 102.70 1v86 n GLY 12 Ca 0.00 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 1v86 n GLY 12 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1v86 s VAL 13 N 0.00 2.17 0.02 1.61 -7.23 -1.26 -5.07 120.40 110.65 1v86 s VAL 13 Ca 0.00 -1.96 -0.07 0.00 -1.81 0.00 0.00 61.98 58.14 1v86 s VAL 13 Cb 0.00 -2.92 -0.03 0.00 0.56 0.00 0.00 36.38 33.99 1v86 s VAL 13 CO 0.00 -0.05 1.11 1.23 -0.31 0.00 0.00 175.10 177.08 1v86 h GLY 14 N 1.74 -1.49 -7.05 2.32 0.00 -2.07 -3.41 103.07 93.11 1v86 h GLY 14 Ca -0.43 0.68 -0.43 0.00 0.00 0.00 0.00 47.33 47.15 1v86 h GLY 14 CO 0.76 -0.53 -0.77 0.54 0.00 0.00 0.00 176.54 176.54 1v86 s LYS 15 N -3.53 0.57 -0.29 4.80 1.02 -1.26 -5.09 119.74 115.96 1v86 s LYS 15 Ca -0.03 0.12 -0.31 0.00 0.02 0.00 0.00 55.97 55.77 1v86 s LYS 15 Cb 0.01 -0.96 -0.08 0.00 -0.52 0.00 0.00 37.83 36.28 1v86 s LYS 15 CO 0.12 -0.31 2.23 0.39 -0.92 0.00 0.00 175.35 176.86 1v86 n GLU 16 N 5.16 1.56 -1.10 1.68 1.02 -1.26 -4.87 120.64 122.82 1v86 n GLU 16 Ca -0.07 0.40 -0.37 0.00 -0.02 0.00 0.00 57.16 57.11 1v86 n GLU 16 Cb 0.50 -2.95 0.04 0.00 -0.02 0.00 0.00 31.44 29.01 1v86 n GLU 16 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1v86 n LEU 17 N 11.30 -3.96 -4.85 -4.62 7.99 -1.26 -4.91 117.00 116.68 1v86 n LEU 17 Ca 0.35 0.39 -0.33 0.00 -0.01 0.00 0.00 56.01 56.41 1v86 n LEU 17 Cb 0.37 -0.88 -0.06 0.00 -0.11 0.00 0.00 43.42 42.74 1v86 n LEU 17 CO 0.70 -5.09 0.34 0.54 -1.51 0.00 0.00 177.39 172.37 1v86 s VAL 18 N -2.02 4.76 0.00 4.08 0.11 0.51 -4.71 120.40 123.12 1v86 s VAL 18 Ca 0.50 0.84 -0.20 0.00 -2.93 0.00 0.00 61.98 60.18 1v86 s VAL 18 Cb -0.30 -3.65 -0.05 0.00 -1.53 0.00 0.00 36.38 30.84 1v86 s VAL 18 CO 0.73 -0.07 0.59 -0.62 -3.33 0.00 0.00 175.10 172.41 1v86 s ASP 19 N -2.17 6.98 -0.00 3.54 2.15 -1.26 -1.92 116.67 123.98 1v86 s ASP 19 Ca 0.49 1.17 -0.03 0.00 0.43 0.00 0.00 52.55 54.61 1v86 s ASP 19 Cb -0.12 -2.36 -0.00 0.00 -0.30 0.00 0.00 42.92 40.14 1v86 s ASP 19 CO 0.19 0.11 0.06 -0.76 -0.17 0.00 0.00 175.17 174.61 1v86 s LEU 20 N -0.26 1.82 -0.32 -1.34 1.43 -1.13 0.18 118.68 119.06 1v86 s LEU 20 Ca 0.31 -0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 53.14 1v86 s LEU 20 Cb -0.18 0.35 -0.01 0.00 0.03 0.00 0.00 46.19 46.37 1v86 s LEU 20 CO 0.17 -0.22 0.18 -0.54 0.23 0.00 0.00 176.35 176.18 1v86 s LYS 21 N -0.87 3.42 -1.04 1.70 1.02 0.91 -3.17 119.74 121.71 1v86 s LYS 21 Ca -0.10 -0.68 -0.23 0.00 0.02 0.00 0.00 55.97 54.99 1v86 s LYS 21 Cb -0.06 -3.65 0.05 0.00 -0.52 0.00 0.00 37.83 33.65 1v86 s LYS 21 CO 0.00 -0.41 1.50 0.42 -0.92 0.00 0.00 175.35 175.94 1v86 s ILE 22 N 1.66 3.91 -0.18 2.17 -1.09 -1.18 0.20 121.20 126.68 1v86 s ILE 22 Ca 0.05 -0.84 -0.29 0.00 -2.23 0.00 0.00 60.65 57.34 1v86 s ILE 22 Cb -0.17 -5.02 0.00 0.00 -1.58 0.00 0.00 42.46 35.69 1v86 s ILE 22 CO 0.08 -1.90 1.05 -0.63 -1.23 0.00 0.00 174.94 172.31 1v86 s ILE 23 N 5.17 4.67 -0.28 2.92 -1.09 0.50 -3.69 121.20 129.41 1v86 s ILE 23 Ca 0.48 1.99 0.01 0.00 -2.23 0.00 0.00 60.65 60.90 1v86 s ILE 23 Cb 0.00 -4.28 0.16 0.00 -1.58 0.00 0.00 42.46 36.75 1v86 s ILE 23 CO -0.08 -0.12 0.41 0.86 -1.23 0.00 0.00 174.94 174.78 1v86 s TRP 24 N 2.83 -1.00 0.00 3.97 -0.00 -1.24 0.12 118.94 123.63 1v86 s TRP 24 Ca 0.46 0.52 0.00 0.00 -0.00 0.00 0.00 56.10 57.08 1v86 s TRP 24 Cb -0.17 -0.08 0.00 0.00 -0.00 0.00 0.00 33.47 33.23 1v86 s TRP 24 CO 0.11 -0.91 0.00 0.09 -0.00 0.00 0.00 176.95 176.23 1v86 n ASN 25 N 5.36 0.00 -2.33 5.86 3.02 -1.26 -1.96 115.26 123.95 1v86 n ASN 25 Ca -0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.52 1v86 n ASN 25 Cb 0.50 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.71 1v86 n ASN 25 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1v86 n LYS 26 N 0.00 0.56 -4.41 3.52 2.85 -1.26 -5.15 118.16 114.28 1v86 n LYS 26 Ca 0.00 -0.79 -0.24 0.00 -1.05 0.00 0.00 58.31 56.23 1v86 n LYS 26 Cb 0.00 0.09 -0.11 0.00 -0.65 0.00 0.00 35.03 34.36 1v86 n LYS 26 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1v86 s THR 27 N 0.07 2.18 -0.30 0.58 -4.23 -0.83 -5.12 115.64 108.00 1v86 s THR 27 Ca 0.07 -2.15 -0.03 0.00 -1.18 0.00 0.00 61.69 58.40 1v86 s THR 27 Cb 0.19 -2.10 0.10 0.00 1.34 0.00 0.00 72.50 72.03 1v86 s THR 27 CO -0.05 -0.32 0.13 -1.59 -0.54 0.00 0.00 174.62 172.26 1v86 s LYS 28 N -3.09 0.34 -0.42 3.99 -2.85 -1.26 -3.62 119.74 112.83 1v86 s LYS 28 Ca 0.23 -0.72 -0.11 0.00 -1.00 0.00 0.00 55.97 54.37 1v86 s LYS 28 Cb -0.06 -1.36 0.07 0.00 -2.06 0.00 0.00 37.83 34.42 1v86 s LYS 28 CO 0.10 -1.03 0.27 -1.01 0.10 0.00 0.00 175.35 173.79 1v86 s HIS 29 N 1.91 3.30 -0.45 1.78 3.76 -1.24 -4.90 115.29 119.45 1v86 s HIS 29 Ca 0.10 -1.32 -0.28 0.00 -0.15 0.00 0.00 55.06 53.41 1v86 s HIS 29 Cb -0.17 -2.89 -0.01 0.00 1.11 0.00 0.00 32.58 30.62 1v86 s HIS 29 CO -0.32 -0.80 1.68 -0.51 -0.85 0.00 0.00 174.74 173.94 1v86 s ASP 30 N 2.09 5.87 -0.02 1.40 1.01 -1.26 -3.11 116.67 122.65 1v86 s ASP 30 Ca 0.03 0.82 0.08 0.00 0.71 0.00 0.00 52.55 54.19 1v86 s ASP 30 Cb -0.22 -2.53 -0.02 0.00 1.01 0.00 0.00 42.92 41.15 1v86 s ASP 30 CO 0.04 -1.82 -0.25 0.68 0.21 0.00 0.00 175.17 174.03 1v86 s VAL 31 N 7.00 2.16 -0.33 -1.27 -7.23 -1.19 -5.02 120.40 114.52 1v86 s VAL 31 Ca 0.69 -1.09 -0.07 0.00 -1.81 0.00 0.00 61.98 59.70 1v86 s VAL 31 Cb -0.16 -1.76 0.03 0.00 0.56 0.00 0.00 36.38 35.04 1v86 s VAL 31 CO 0.29 0.57 0.12 -1.59 -0.31 0.00 0.00 175.10 174.18 1v86 s LYS 32 N -0.66 2.80 0.10 4.82 -2.85 -1.26 -2.82 119.74 119.86 1v86 s LYS 32 Ca 0.10 -1.06 0.05 0.00 -1.00 0.00 0.00 55.97 54.06 1v86 s LYS 32 Cb -0.10 -3.49 -0.03 0.00 -2.06 0.00 0.00 37.83 32.15 1v86 s LYS 32 CO -0.01 -0.61 -0.14 0.14 0.10 0.00 0.00 175.35 174.84 1v86 s VAL 33 N 1.46 1.20 0.41 1.79 -7.23 -0.81 -4.82 120.40 112.40 1v86 s VAL 33 Ca 0.00 -1.52 -0.24 0.00 -1.81 0.00 0.00 61.98 58.42 1v86 s VAL 33 Cb -0.19 -1.30 -0.09 0.00 0.56 0.00 0.00 36.38 35.36 1v86 s VAL 33 CO 0.03 -0.33 1.05 -2.16 -0.31 0.00 0.00 175.10 173.38 1v86 s PRO 34 N -2.24 4.12 0.32 4.82 0.04 -1.26 0.19 135.00 140.99 1v86 s PRO 34 Ca 0.03 1.51 0.26 0.00 0.04 0.00 0.00 61.00 62.84 1v86 s PRO 34 Cb -0.07 -2.50 0.97 0.00 0.04 0.00 0.00 34.50 32.94 1v86 s PRO 34 CO 0.02 -0.18 1.77 1.25 0.04 0.00 0.00 177.00 179.91 1v86 h LEU 35 N 2.40 0.00 -0.33 -3.56 5.85 -1.94 -2.24 115.31 115.49 1v86 h LEU 35 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1v86 h LEU 35 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1v86 h LEU 35 CO 0.62 0.00 0.00 -0.67 -0.34 0.00 0.00 178.44 178.05 1v86 n ASP 36 N -2.47 0.32 -4.77 1.25 -0.08 -1.26 -2.95 116.55 106.59 1v86 n ASP 36 Ca 0.03 0.58 -0.40 0.00 -1.51 0.00 0.00 54.79 53.48 1v86 n ASP 36 Cb 0.31 -0.65 -0.00 0.00 2.34 0.00 0.00 41.12 43.12 1v86 n ASP 36 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1v86 s SER 37 N -3.59 6.33 0.30 1.67 0.01 -0.84 -4.87 113.70 112.70 1v86 s SER 37 Ca 0.06 2.83 -0.23 0.00 1.31 0.00 0.00 55.95 59.92 1v86 s SER 37 Cb 0.09 -2.65 -0.09 0.00 0.21 0.00 0.00 66.02 63.58 1v86 s SER 37 CO 0.33 -0.85 0.87 0.42 0.41 0.00 0.00 173.24 174.41 1v86 s THR 38 N -1.18 4.35 0.60 1.44 -4.23 -1.26 -2.17 115.64 113.19 1v86 s THR 38 Ca 0.55 1.60 0.27 0.00 -1.18 0.00 0.00 61.69 62.93 1v86 s THR 38 Cb -0.42 -3.93 0.38 0.00 1.34 0.00 0.00 72.50 69.87 1v86 s THR 38 CO 0.55 0.13 1.53 1.23 -0.54 0.00 0.00 174.62 177.52 1v86 h GLY 39 N 3.15 0.00 0.84 3.99 0.00 -1.66 1.22 103.07 110.61 1v86 h GLY 39 Ca -0.47 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.68 1v86 h GLY 39 CO 0.65 0.00 -0.70 0.23 0.00 0.00 0.00 176.54 176.72 1v86 h SER 40 N 0.00 0.59 -0.99 0.19 0.87 -1.83 -3.23 113.55 109.14 1v86 h SER 40 Ca 0.37 -0.78 0.19 0.00 -1.23 0.00 0.00 61.79 60.34 1v86 h SER 40 Cb 2.21 -0.18 -0.10 0.00 -0.44 0.00 0.00 62.40 63.89 1v86 h SER 40 CO -0.00 1.29 0.61 -0.33 -0.53 0.00 0.00 176.83 177.87 1v86 h GLU 41 N -0.05 0.72 -0.94 2.24 5.08 0.12 -0.99 114.58 120.76 1v86 h GLU 41 Ca -0.09 -0.04 0.15 0.00 -1.00 0.00 0.00 59.36 58.38 1v86 h GLU 41 Cb 1.41 -0.16 -0.16 0.00 0.50 0.00 0.00 28.75 30.34 1v86 h GLU 41 CO 0.14 0.47 -0.36 -0.07 -1.00 0.00 0.00 179.01 178.20 1v86 h LEU 42 N 0.74 -1.30 -0.19 1.33 3.38 -1.51 1.27 115.31 119.02 1v86 h LEU 42 Ca 0.56 0.30 0.02 0.00 0.09 0.00 0.00 57.88 58.84 1v86 h LEU 42 Cb 0.90 0.71 -0.03 0.00 0.09 0.00 0.00 40.66 42.33 1v86 h LEU 42 CO -0.34 -0.30 -0.17 0.11 0.09 0.00 0.00 178.44 177.83 1v86 h LYS 43 N -0.02 -0.07 0.00 1.13 6.56 -1.34 1.87 116.57 124.70 1v86 h LYS 43 Ca 0.35 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.95 1v86 h LYS 43 Cb 0.61 0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.28 1v86 h LYS 43 CO -0.95 -0.04 -0.01 1.96 -2.06 0.00 0.00 179.45 178.35 1v86 h GLN 44 N -0.07 0.00 0.00 3.15 1.08 -1.04 0.94 115.11 119.17 1v86 h GLN 44 Ca 0.03 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.08 1v86 h GLN 44 Cb 0.15 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 1v86 h GLN 44 CO -0.22 0.01 -0.73 -0.22 -0.95 0.00 0.00 178.83 176.72 1v86 h LYS 45 N 0.00 0.00 0.04 1.46 1.63 0.90 -2.10 116.57 118.50 1v86 h LYS 45 Ca -0.00 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 59.47 1v86 h LYS 45 Cb 0.07 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.66 1v86 h LYS 45 CO 0.00 0.73 -1.83 -0.89 -3.45 0.00 0.00 179.45 174.01 1v86 n ILE 46 N -3.46 1.61 0.12 2.00 5.41 0.56 -4.10 119.36 121.49 1v86 n ILE 46 Ca 0.00 -0.35 0.13 0.00 1.00 0.00 0.00 62.75 63.54 1v86 n ILE 46 Cb 0.76 -1.85 0.64 0.00 -0.71 0.00 0.00 39.64 38.48 1v86 n ILE 46 CO 0.00 0.00 0.00 -0.74 0.00 0.00 0.00 176.55 175.81 1v86 h HIS 47 N -0.54 0.05 0.00 1.39 -0.00 0.66 1.26 115.15 117.97 1v86 h HIS 47 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.92 1v86 h HIS 47 Cb 1.66 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 29.05 1v86 h HIS 47 CO 0.06 0.03 0.00 0.43 -0.00 0.00 0.00 177.93 178.44 1v86 n SER 48 N -4.46 0.23 0.01 3.26 7.64 -0.79 -0.62 113.62 118.89 1v86 n SER 48 Ca 0.04 0.56 -0.03 0.00 1.01 0.00 0.00 58.87 60.45 1v86 n SER 48 Cb 0.33 -0.61 -0.01 0.00 -1.01 0.00 0.00 64.21 62.92 1v86 n SER 48 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1v86 n ILE 49 N -1.75 1.27 -0.07 0.44 5.41 0.23 -4.68 119.36 120.21 1v86 n ILE 49 Ca 0.03 0.32 0.14 0.00 1.00 0.00 0.00 62.75 64.24 1v86 n ILE 49 Cb 0.19 -1.79 0.54 0.00 -0.71 0.00 0.00 39.64 37.87 1v86 n ILE 49 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 1v86 h THR 50 N -0.28 0.86 0.00 1.39 1.35 0.11 -3.45 112.91 112.88 1v86 h THR 50 Ca 0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 1v86 h THR 50 Cb 0.28 0.50 0.00 0.00 -1.73 0.00 0.00 68.15 67.20 1v86 h THR 50 CO 0.00 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 175.94 1v86 n GLY 51 N -1.54 2.67 3.68 5.82 0.00 0.21 -5.00 105.19 111.03 1v86 n GLY 51 Ca 0.10 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1v86 n GLY 51 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1v86 s LEU 52 N 0.00 1.84 0.40 0.99 2.34 -1.26 -4.89 118.68 118.10 1v86 s LEU 52 Ca 0.00 1.36 -0.24 0.00 0.06 0.00 0.00 54.13 55.31 1v86 s LEU 52 Cb 0.00 -3.62 -0.09 0.00 -0.56 0.00 0.00 46.19 41.92 1v86 s LEU 52 CO 0.00 -3.01 1.05 -2.16 -1.06 0.00 0.00 176.35 171.18 1v86 s PRO 53 N -4.91 4.15 0.25 1.48 0.04 -1.26 -4.49 135.00 130.25 1v86 s PRO 53 Ca 0.65 1.52 0.11 0.00 0.04 0.00 0.00 61.00 63.32 1v86 s PRO 53 Cb -0.19 -2.53 0.24 0.00 0.04 0.00 0.00 34.50 32.05 1v86 s PRO 53 CO 0.58 -0.16 1.53 -1.00 0.04 0.00 0.00 177.00 177.99 1v86 h PRO 54 N 2.48 0.00 0.00 0.56 0.13 -1.92 -1.72 132.00 131.53 1v86 h PRO 54 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1v86 h PRO 54 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1v86 h PRO 54 CO 0.62 0.67 -0.07 0.00 -0.23 0.00 0.00 178.00 178.99 1v86 h ALA 55 N 1.33 1.50 0.03 -0.56 0.00 -1.98 -2.39 119.26 117.20 1v86 h ALA 55 Ca -0.01 -0.06 -0.35 0.00 0.00 0.00 0.00 54.91 54.49 1v86 h ALA 55 Cb 1.27 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 1v86 h ALA 55 CO 0.09 0.09 -2.08 -0.12 0.00 0.00 0.00 179.25 177.23 1v86 n MET 56 N -3.89 0.68 -0.62 0.00 0.00 -1.11 -4.96 117.12 107.22 1v86 n MET 56 Ca -0.02 0.19 -0.30 0.00 -0.00 0.00 0.00 57.70 57.57 1v86 n MET 56 Cb 0.16 -1.66 0.20 0.00 0.00 0.00 0.00 33.22 31.92 1v86 n MET 56 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1v86 s GLN 57 N -2.55 0.23 -0.38 2.12 -0.21 -0.66 -4.76 119.66 113.44 1v86 s GLN 57 Ca -0.16 1.29 0.01 0.00 0.02 0.00 0.00 55.36 56.52 1v86 s GLN 57 Cb 0.07 -1.65 0.12 0.00 1.00 0.00 0.00 33.01 32.55 1v86 s GLN 57 CO 0.77 -3.09 0.16 0.15 -2.12 0.00 0.00 175.29 171.16 1v86 s LYS 58 N -4.57 1.10 -0.64 2.91 1.02 -1.26 -4.91 119.74 113.40 1v86 s LYS 58 Ca 0.67 -1.63 -0.27 0.00 0.02 0.00 0.00 55.97 54.76 1v86 s LYS 58 Cb -0.24 -2.34 0.02 0.00 -0.52 0.00 0.00 37.83 34.75 1v86 s LYS 58 CO 0.61 -1.06 1.37 0.08 -0.92 0.00 0.00 175.35 175.43 1v86 s VAL 59 N 0.91 3.76 -0.17 3.17 1.01 -1.26 -4.40 120.40 123.41 1v86 s VAL 59 Ca 0.14 0.57 -0.06 0.00 0.00 0.00 0.00 61.98 62.62 1v86 s VAL 59 Cb -0.21 -4.62 0.08 0.00 0.00 0.00 0.00 36.38 31.63 1v86 s VAL 59 CO -0.11 -1.43 0.36 -0.04 0.00 0.00 0.00 175.10 173.88 1v86 s MET 60 N 5.65 0.26 -0.32 2.72 1.00 -1.26 -4.01 119.30 123.34 1v86 s MET 60 Ca 0.46 0.91 0.01 0.00 0.00 0.00 0.00 55.69 57.07 1v86 s MET 60 Cb -0.09 0.17 0.10 0.00 0.00 0.00 0.00 34.83 35.01 1v86 s MET 60 CO 0.21 -0.26 0.08 -0.47 0.00 0.00 0.00 175.02 174.58 1v86 s TYR 61 N 2.46 2.52 -1.06 -0.03 5.04 -1.26 -3.49 117.35 121.53 1v86 s TYR 61 Ca -0.01 -2.24 0.00 0.00 -2.44 0.00 0.00 57.07 52.38 1v86 s TYR 61 Cb -0.12 -2.19 0.00 0.00 0.35 0.00 0.00 41.96 40.00 1v86 s TYR 61 CO -0.11 -0.91 0.00 1.63 -1.34 0.00 0.00 175.55 174.82 1v86 n LYS 62 N 4.61 -1.59 0.00 4.97 5.02 -1.26 -4.70 118.16 125.21 1v86 n LYS 62 Ca 0.00 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.89 1v86 n LYS 62 Cb 0.42 -4.92 0.00 0.00 -0.02 0.00 0.00 35.03 30.51 1v86 n LYS 62 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1v86 n GLY 63 N -0.38 3.92 3.65 0.72 0.00 -1.26 -5.12 105.19 106.72 1v86 n GLY 63 Ca -0.11 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 1v86 n GLY 63 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1v86 n LEU 64 N 0.00 3.03 -4.42 0.99 7.99 -1.26 -4.69 117.00 118.64 1v86 n LEU 64 Ca 0.00 1.11 -0.40 0.00 -0.01 0.00 0.00 56.01 56.71 1v86 n LEU 64 Cb 0.00 -1.41 -0.11 0.00 -0.11 0.00 0.00 43.42 41.79 1v86 n LEU 64 CO 0.00 -1.06 -0.16 -0.69 -1.51 0.00 0.00 177.39 173.97 1v86 s VAL 65 N -1.19 4.71 0.12 4.08 1.01 -1.26 -4.88 120.40 123.00 1v86 s VAL 65 Ca 0.60 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 1v86 s VAL 65 Cb -0.57 -3.54 -0.07 0.00 0.00 0.00 0.00 36.38 32.20 1v86 s VAL 65 CO 0.59 -0.13 1.14 -2.16 0.00 0.00 0.00 175.10 174.53 1v86 s PRO 66 N 1.60 4.52 0.40 2.72 0.04 -1.26 -4.93 135.00 138.09 1v86 s PRO 66 Ca 0.03 1.73 0.23 0.00 0.04 0.00 0.00 61.00 63.04 1v86 s PRO 66 Cb -0.18 -3.31 0.30 0.00 0.04 0.00 0.00 34.50 31.35 1v86 s PRO 66 CO 0.07 -0.08 1.54 0.93 0.04 0.00 0.00 177.00 179.50 1v86 h GLU 67 N 5.88 0.00 0.00 4.56 5.08 -1.97 -3.01 114.58 125.12 1v86 h GLU 67 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1v86 h GLU 67 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1v86 h GLU 67 CO 0.76 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 178.52 1v86 n ASP 68 N -3.03 0.00 -4.02 1.42 9.92 -1.26 -4.26 116.55 115.32 1v86 n ASP 68 Ca 0.04 -0.03 -0.20 0.00 -0.53 0.00 0.00 54.79 54.07 1v86 n ASP 68 Cb 0.53 -0.31 -0.15 0.00 -0.64 0.00 0.00 41.12 40.55 1v86 n ASP 68 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1v86 s LYS 69 N -2.62 0.85 0.88 -1.24 -0.14 -1.14 -5.04 119.74 111.29 1v86 s LYS 69 Ca 0.24 -0.33 -0.12 0.00 -1.36 0.00 0.00 55.97 54.40 1v86 s LYS 69 Cb 0.18 -0.81 0.12 0.00 -1.68 0.00 0.00 37.83 35.64 1v86 s LYS 69 CO 0.42 0.17 1.13 0.95 -0.76 0.00 0.00 175.35 177.25 1v86 s THR 70 N -0.06 2.27 0.10 2.17 -4.23 -1.26 -2.66 115.64 111.97 1v86 s THR 70 Ca 0.01 0.09 -0.35 0.00 -1.18 0.00 0.00 61.69 60.26 1v86 s THR 70 Cb -0.06 -2.84 -0.15 0.00 1.34 0.00 0.00 72.50 70.80 1v86 s THR 70 CO -0.00 -0.11 1.56 -0.07 -0.54 0.00 0.00 174.62 175.45 1v86 h LEU 71 N -1.39 -1.61 -1.51 4.79 3.38 -1.51 1.76 115.31 119.22 1v86 h LEU 71 Ca -0.50 0.17 0.10 0.00 0.09 0.00 0.00 57.88 57.75 1v86 h LEU 71 Cb 1.32 0.59 -0.01 0.00 0.09 0.00 0.00 40.66 42.65 1v86 h LEU 71 CO 0.61 -0.56 0.65 -0.09 0.09 0.00 0.00 178.44 179.14 1v86 h ARG 72 N -0.76 0.00 0.09 1.13 2.43 -1.81 0.57 114.38 116.04 1v86 h ARG 72 Ca -0.01 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.81 1v86 h ARG 72 Cb 0.76 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.29 1v86 h ARG 72 CO -0.29 0.00 -1.97 0.39 -1.51 0.00 0.00 179.97 176.59 1v86 n GLU 73 N -3.20 0.72 0.00 0.20 -0.58 0.15 -3.88 120.64 114.04 1v86 n GLU 73 Ca 0.07 0.29 0.07 0.00 -0.42 0.00 0.00 57.16 57.16 1v86 n GLU 73 Cb 0.78 -1.69 0.31 0.00 -0.57 0.00 0.00 31.44 30.28 1v86 n GLU 73 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1v86 n ILE 74 N -3.61 0.93 -1.01 -3.67 -6.64 0.55 -4.89 119.36 101.02 1v86 n ILE 74 Ca -0.34 0.23 0.00 0.00 -1.77 0.00 0.00 62.75 60.87 1v86 n ILE 74 Cb 0.99 -1.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.19 1v86 n ILE 74 CO 0.00 0.00 0.00 1.17 -1.77 0.00 0.00 176.55 175.95 1v86 n LYS 75 N -1.43 0.00 -4.04 6.28 0.00 0.14 -5.03 118.16 114.07 1v86 n LYS 75 Ca 0.04 0.34 -0.11 0.00 0.00 0.00 0.00 58.31 58.58 1v86 n LYS 75 Cb 0.14 -0.70 -0.11 0.00 0.00 0.00 0.00 35.03 34.36 1v86 n LYS 75 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1v86 s VAL 76 N -0.06 0.37 0.39 3.15 1.01 -1.13 -4.96 120.40 119.17 1v86 s VAL 76 Ca 0.00 -1.11 0.06 0.00 0.00 0.00 0.00 61.98 60.93 1v86 s VAL 76 Cb 0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 1v86 s VAL 76 CO 0.00 -0.49 0.20 0.42 0.00 0.00 0.00 175.10 175.23 1v86 s THR 77 N -1.68 0.29 -0.63 3.92 -4.23 -1.26 -4.75 115.64 107.30 1v86 s THR 77 Ca -0.10 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.15 1v86 s THR 77 Cb -0.08 -2.36 0.04 0.00 1.34 0.00 0.00 72.50 71.43 1v86 s THR 77 CO -0.01 0.00 1.14 -0.55 -0.54 0.00 0.00 174.62 174.66 1v86 s SER 78 N -3.53 6.31 0.00 3.99 0.15 -1.26 -3.16 113.70 116.19 1v86 s SER 78 Ca 0.29 -0.27 0.00 0.00 0.70 0.00 0.00 55.95 56.68 1v86 s SER 78 Cb 0.02 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1v86 s SER 78 CO 0.21 -1.53 0.00 0.61 1.20 0.00 0.00 173.24 173.73 1v86 n GLY 79 N 5.19 1.87 3.67 9.45 0.00 0.48 -4.79 105.19 121.06 1v86 n GLY 79 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1v86 n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v86 s ALA 80 N -2.00 0.97 0.13 4.61 0.00 -1.04 -4.74 121.76 119.70 1v86 s ALA 80 Ca 0.00 -1.15 0.08 0.00 0.00 0.00 0.00 51.96 50.90 1v86 s ALA 80 Cb 0.00 -2.81 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 1v86 s ALA 80 CO 0.00 -3.45 -0.19 0.15 0.00 0.00 0.00 175.76 172.27 1v86 s LYS 81 N -5.63 1.20 -0.15 0.00 3.01 -1.26 -0.06 119.74 116.84 1v86 s LYS 81 Ca 0.73 -1.29 -0.04 0.00 -1.01 0.00 0.00 55.97 54.37 1v86 s LYS 81 Cb -0.06 -1.35 0.05 0.00 -1.01 0.00 0.00 37.83 35.47 1v86 s LYS 81 CO 0.55 0.29 0.06 0.42 0.51 0.00 0.00 175.35 177.19 1v86 s ILE 82 N -1.63 0.13 0.04 2.17 -1.09 0.13 -4.74 121.20 116.21 1v86 s ILE 82 Ca 0.11 -0.17 -0.28 0.00 -2.23 0.00 0.00 60.65 58.08 1v86 s ILE 82 Cb -0.08 -0.64 -0.05 0.00 -1.58 0.00 0.00 42.46 40.11 1v86 s ILE 82 CO 0.05 -0.15 0.87 -0.04 -1.23 0.00 0.00 174.94 174.45 1v86 s MET 83 N 2.05 4.57 -0.00 2.79 -1.94 -1.23 0.19 119.30 125.73 1v86 s MET 83 Ca 0.02 1.25 0.08 0.00 -1.71 0.00 0.00 55.69 55.33 1v86 s MET 83 Cb -0.15 -3.40 -0.02 0.00 2.01 0.00 0.00 34.83 33.26 1v86 s MET 83 CO -0.08 0.14 -0.25 0.08 -0.01 0.00 0.00 175.02 174.91 1v86 s VAL 84 N 0.36 2.18 0.08 -6.03 1.01 0.33 -4.07 120.40 114.26 1v86 s VAL 84 Ca 0.45 -1.16 0.08 0.00 0.00 0.00 0.00 61.98 61.34 1v86 s VAL 84 Cb -0.21 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 1v86 s VAL 84 CO 0.26 0.51 -0.21 -0.69 0.00 0.00 0.00 175.10 174.97 1v86 s VAL 85 N -0.69 1.73 -5.00 2.92 1.01 -1.26 -4.21 120.40 114.90 1v86 s VAL 85 Ca 0.11 -1.44 0.00 0.00 0.00 0.00 0.00 61.98 60.65 1v86 s VAL 85 Cb -0.10 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.74 1v86 s VAL 85 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.75 1v86 n GLY 86 N 1.34 0.53 0.59 4.51 0.00 -1.26 -4.20 105.19 106.70 1v86 n GLY 86 Ca -0.19 -1.66 0.04 0.00 0.00 0.00 0.00 46.02 44.22 1v86 n GLY 86 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v86 n SER 87 N 0.17 -3.17 -1.38 1.61 7.64 -1.26 -5.03 113.62 112.20 1v86 n SER 87 Ca 0.00 0.64 0.17 0.00 1.01 0.00 0.00 58.87 60.69 1v86 n SER 87 Cb 0.00 -1.75 -0.07 0.00 -1.01 0.00 0.00 64.21 61.38 1v86 n SER 87 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1v86 n THR 88 N -2.57 -0.24 0.00 0.44 -1.04 -1.26 -4.63 114.28 104.99 1v86 n THR 88 Ca -0.02 0.57 0.00 0.00 -2.04 0.00 0.00 64.05 62.55 1v86 n THR 88 Cb 0.24 -1.02 0.00 0.00 -1.82 0.00 0.00 70.33 67.74 1v86 n THR 88 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1v86 n ILE 89 N -4.16 0.00 -1.62 12.58 2.08 -1.26 -4.65 119.36 122.33 1v86 n ILE 89 Ca -0.05 0.00 -0.37 0.00 0.56 0.00 0.00 62.75 62.89 1v86 n ILE 89 Cb 0.66 0.00 0.07 0.00 -0.75 0.00 0.00 39.64 39.62 1v86 n ILE 89 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1v86 n SER 90 N 6.43 1.42 -3.07 4.38 2.88 -1.26 -5.01 113.62 119.39 1v86 n SER 90 Ca 0.00 0.79 0.05 0.00 -1.33 0.00 0.00 58.87 58.37 1v86 n SER 90 Cb 0.00 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 61.98 1v86 n SER 90 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1v86 s GLY 91 N -1.41 -1.09 -0.06 0.46 0.00 -1.26 -4.77 107.32 99.18 1v86 s GLY 91 Ca 0.79 1.82 -0.12 0.00 0.00 0.00 0.00 44.72 47.22 1v86 s GLY 91 CO 0.44 4.11 0.47 -0.56 0.00 0.00 0.00 173.10 177.56 1v86 h PRO 92 N 6.91 -0.29 -0.07 2.90 0.13 -2.00 -3.47 132.00 136.12 1v86 h PRO 92 Ca -0.07 0.02 0.19 0.00 -0.87 0.00 0.00 66.00 65.27 1v86 h PRO 92 Cb 1.19 0.06 -0.17 0.00 0.13 0.00 0.00 31.00 32.21 1v86 h PRO 92 CO -0.07 -0.09 -0.01 0.45 -0.23 0.00 0.00 178.00 178.04 1v86 s SER 93 N -5.27 -0.11 0.50 1.44 0.15 -1.26 -5.14 113.70 104.02 1v86 s SER 93 Ca -0.07 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.55 1v86 s SER 93 Cb 0.00 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1v86 s SER 93 CO 0.22 -0.02 0.00 -0.24 1.20 0.00 0.00 173.24 174.40 1v86 n SER 94 N 4.02 -8.06 0.00 5.45 2.88 -1.26 -5.16 113.62 111.48 1v86 n SER 94 Ca 0.06 1.28 0.00 0.00 -1.33 0.00 0.00 58.87 58.88 1v86 n SER 94 Cb 0.63 -4.47 0.00 0.00 -0.75 0.00 0.00 64.21 59.62 1v86 n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42