#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 -0.22 -0.17 1.61 0.15 -1.26 -5.19 113.70 108.62 1v86 s SER 2 Ca 0.00 -0.35 -0.35 0.00 0.70 0.00 0.00 55.95 55.96 1v86 s SER 2 Cb 0.00 0.49 0.14 0.00 -1.71 0.00 0.00 66.02 64.94 1v86 s SER 2 CO 0.00 -0.90 1.29 -0.44 1.20 0.00 0.00 173.24 174.39 1v86 s SER 3 N -2.86 -0.08 0.00 5.45 0.01 -1.26 -5.16 113.70 109.80 1v86 s SER 3 Ca 0.11 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.34 1v86 s SER 3 Cb -0.02 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.32 1v86 s SER 3 CO 0.00 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.08 1v86 n GLY 4 N -0.19 -0.53 1.80 3.44 0.00 -1.26 -5.15 105.19 103.30 1v86 n GLY 4 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1v86 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v86 n SER 5 N 0.00 -7.99 -3.54 1.61 7.64 -1.26 -5.09 113.62 104.99 1v86 n SER 5 Ca 0.00 1.17 -0.09 0.00 1.01 0.00 0.00 58.87 60.96 1v86 n SER 5 Cb 0.00 -4.42 -0.03 0.00 -1.01 0.00 0.00 64.21 58.74 1v86 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1v86 s SER 6 N -0.64 -0.33 0.00 6.43 0.15 -1.26 -5.16 113.70 112.89 1v86 s SER 6 Ca 0.00 0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.81 1v86 s SER 6 Cb 0.00 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1v86 s SER 6 CO 0.00 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 174.59 1v86 n GLY 7 N 0.16 4.06 3.65 9.45 0.00 -1.26 -5.18 105.19 116.07 1v86 n GLY 7 Ca -0.08 -1.09 -0.03 0.00 0.00 0.00 0.00 46.02 44.82 1v86 n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1v86 s ASP 8 N 0.00 -0.14 -0.03 1.61 2.15 -1.26 -5.18 116.67 113.81 1v86 s ASP 8 Ca 0.00 0.27 -0.28 0.00 0.43 0.00 0.00 52.55 52.97 1v86 s ASP 8 Cb 0.00 0.41 0.06 0.00 -0.30 0.00 0.00 42.92 43.09 1v86 s ASP 8 CO 0.00 -0.05 0.60 0.00 -0.17 0.00 0.00 175.17 175.56 1v86 s ALA 9 N 0.25 -1.57 0.00 3.66 0.00 -1.26 -5.17 121.76 117.67 1v86 s ALA 9 Ca 0.04 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1v86 s ALA 9 Cb -0.05 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.12 1v86 s ALA 9 CO -0.13 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.67 1v86 n GLY 10 N 0.93 3.60 0.00 0.00 0.00 -1.26 -5.19 105.19 103.27 1v86 n GLY 10 Ca -0.19 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.96 -0.85 7.00 -0.02 0.00 -1.26 -5.15 105.19 102.96 1v86 n GLY 11 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 2.04 3.87 -0.02 0.00 -1.26 -4.66 105.19 105.17 1v86 n GLY 12 Ca 0.00 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 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 4.71 0.00 1.61 -7.23 -1.26 -4.99 120.40 113.24 1v86 s VAL 13 Ca 0.00 0.82 0.00 0.00 -1.81 0.00 0.00 61.98 60.99 1v86 s VAL 13 Cb 0.00 -3.82 0.00 0.00 0.56 0.00 0.00 36.38 33.12 1v86 s VAL 13 CO 0.00 -0.91 0.00 0.61 -0.31 0.00 0.00 175.10 174.49 1v86 n GLY 14 N -2.21 3.55 0.00 2.32 0.00 -1.26 -5.16 105.19 102.44 1v86 n GLY 14 Ca 0.05 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1v86 n GLY 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1v86 n LYS 15 N -0.65 0.31 -1.64 1.61 5.02 -1.26 -5.03 118.16 116.52 1v86 n LYS 15 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 1v86 n LYS 15 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1v86 n LYS 15 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1v86 n GLU 16 N 0.00 2.49 -1.08 1.97 2.13 -1.26 -4.89 120.64 120.00 1v86 n GLU 16 Ca 0.00 0.86 -0.37 0.00 0.66 0.00 0.00 57.16 58.31 1v86 n GLU 16 Cb 0.00 -3.03 0.03 0.00 0.27 0.00 0.00 31.44 28.71 1v86 n GLU 16 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1v86 n LEU 17 N 8.75 -5.16 -4.86 4.31 7.99 -1.26 -4.91 117.00 121.86 1v86 n LEU 17 Ca 0.24 0.34 -0.37 0.00 -0.01 0.00 0.00 56.01 56.21 1v86 n LEU 17 Cb 0.40 -0.80 -0.06 0.00 -0.11 0.00 0.00 43.42 42.86 1v86 n LEU 17 CO 0.68 -5.59 -0.01 0.54 -1.51 0.00 0.00 177.39 171.50 1v86 s VAL 18 N -2.00 5.23 0.03 4.08 0.11 0.49 -4.74 120.40 123.60 1v86 s VAL 18 Ca 0.46 0.50 -0.30 0.00 -2.93 0.00 0.00 61.98 59.70 1v86 s VAL 18 Cb -0.29 -3.58 -0.04 0.00 -1.53 0.00 0.00 36.38 30.94 1v86 s VAL 18 CO 0.77 0.53 1.10 -0.62 -3.33 0.00 0.00 175.10 173.56 1v86 s ASP 19 N -1.22 7.20 0.02 3.54 -1.08 -1.26 -2.19 116.67 121.69 1v86 s ASP 19 Ca 0.22 1.85 -0.04 0.00 -0.52 0.00 0.00 52.55 54.06 1v86 s ASP 19 Cb -0.14 -2.57 -0.01 0.00 -1.46 0.00 0.00 42.92 38.73 1v86 s ASP 19 CO 0.11 -0.39 0.06 -0.76 0.52 0.00 0.00 175.17 174.71 1v86 s LEU 20 N 1.12 1.93 -0.15 -1.34 1.43 -0.90 0.17 118.68 120.94 1v86 s LEU 20 Ca 0.56 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 53.15 1v86 s LEU 20 Cb -0.25 0.43 -0.02 0.00 0.03 0.00 0.00 46.19 46.38 1v86 s LEU 20 CO 0.28 -0.42 -0.07 -0.54 0.23 0.00 0.00 176.35 175.84 1v86 s LYS 21 N -2.05 3.55 -0.28 1.70 1.02 -1.16 -2.13 119.74 120.40 1v86 s LYS 21 Ca -0.10 -0.58 -0.16 0.00 0.02 0.00 0.00 55.97 55.15 1v86 s LYS 21 Cb -0.05 -2.83 -0.03 0.00 -0.52 0.00 0.00 37.83 34.40 1v86 s LYS 21 CO -0.02 0.19 0.43 0.42 -0.92 0.00 0.00 175.35 175.45 1v86 s ILE 22 N 0.48 5.12 -0.12 2.17 -1.09 -0.84 -2.11 121.20 124.81 1v86 s ILE 22 Ca -0.05 0.64 0.01 0.00 -2.23 0.00 0.00 60.65 59.01 1v86 s ILE 22 Cb -0.15 -3.77 -0.01 0.00 -1.58 0.00 0.00 42.46 36.95 1v86 s ILE 22 CO 0.03 0.09 -0.15 -0.63 -1.23 0.00 0.00 174.94 173.06 1v86 s ILE 23 N 2.18 2.90 -0.17 2.92 -1.09 0.25 -2.78 121.20 125.41 1v86 s ILE 23 Ca 0.17 -0.72 0.07 0.00 -2.23 0.00 0.00 60.65 57.95 1v86 s ILE 23 Cb -0.16 -2.20 0.22 0.00 -1.58 0.00 0.00 42.46 38.74 1v86 s ILE 23 CO 0.10 0.53 1.27 1.87 -1.23 0.00 0.00 174.94 177.48 1v86 n TRP 24 N 3.45 -0.95 0.00 3.97 -0.00 -1.26 0.24 117.44 122.89 1v86 n TRP 24 Ca -0.18 -1.11 0.00 0.00 -0.00 0.00 0.00 57.50 56.20 1v86 n TRP 24 Cb 0.53 0.97 0.00 0.00 -0.00 0.00 0.00 31.31 32.81 1v86 n TRP 24 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 177.69 175.98 1v86 n ASN 25 N -0.74 0.00 0.00 5.87 4.05 -1.26 -4.95 115.26 118.23 1v86 n ASN 25 Ca -0.22 0.00 0.00 0.00 0.45 0.00 0.00 54.58 54.81 1v86 n ASN 25 Cb 0.80 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.81 1v86 n ASN 25 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1v86 n LYS 26 N 0.00 0.00 -0.73 1.20 5.02 -1.26 -5.15 118.16 117.24 1v86 n LYS 26 Ca 0.00 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.97 1v86 n LYS 26 Cb 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 35.03 35.16 1v86 n LYS 26 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1v86 n THR 27 N 0.00 0.00 -3.85 -0.18 -2.24 -1.26 -4.98 114.28 101.77 1v86 n THR 27 Ca 0.00 -0.17 -0.30 0.00 -2.27 0.00 0.00 64.05 61.31 1v86 n THR 27 Cb 0.00 -0.73 -0.14 0.00 -2.10 0.00 0.00 70.33 67.36 1v86 n THR 27 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1v86 s LYS 28 N -3.89 1.41 -0.55 -0.78 1.02 -1.26 -4.39 119.74 111.29 1v86 s LYS 28 Ca 0.60 -1.97 -0.25 0.00 0.02 0.00 0.00 55.97 54.37 1v86 s LYS 28 Cb -0.21 -2.73 0.04 0.00 -0.52 0.00 0.00 37.83 34.41 1v86 s LYS 28 CO 0.65 -1.07 0.99 -1.01 -0.92 0.00 0.00 175.35 174.00 1v86 s HIS 29 N 0.54 2.76 -0.27 3.18 3.76 -1.12 -4.85 115.29 119.28 1v86 s HIS 29 Ca 0.14 0.09 -0.29 0.00 -0.15 0.00 0.00 55.06 54.85 1v86 s HIS 29 Cb -0.22 -4.16 -0.01 0.00 1.11 0.00 0.00 32.58 29.29 1v86 s HIS 29 CO -0.06 -1.39 1.43 0.16 -0.85 0.00 0.00 174.74 174.02 1v86 s ASP 30 N 2.85 6.54 0.02 1.40 -4.77 -1.26 -1.99 116.67 119.47 1v86 s ASP 30 Ca 0.33 1.35 0.03 0.00 -3.30 0.00 0.00 52.55 50.96 1v86 s ASP 30 Cb -0.11 -2.54 -0.02 0.00 -1.09 0.00 0.00 42.92 39.16 1v86 s ASP 30 CO 0.21 -1.17 -0.10 0.68 0.70 0.00 0.00 175.17 175.49 1v86 s VAL 31 N 4.75 0.78 -0.19 2.11 -7.23 -0.91 -5.03 120.40 114.69 1v86 s VAL 31 Ca 0.62 -0.75 -0.05 0.00 -1.81 0.00 0.00 61.98 59.99 1v86 s VAL 31 Cb -0.20 -0.72 -0.03 0.00 0.56 0.00 0.00 36.38 36.00 1v86 s VAL 31 CO 0.26 -0.02 0.00 -1.59 -0.31 0.00 0.00 175.10 173.44 1v86 s LYS 32 N -0.86 3.69 0.03 4.82 -2.85 -1.26 -2.12 119.74 121.18 1v86 s LYS 32 Ca -0.01 -0.49 -0.01 0.00 -1.00 0.00 0.00 55.97 54.46 1v86 s LYS 32 Cb -0.06 -3.07 -0.02 0.00 -2.06 0.00 0.00 37.83 32.62 1v86 s LYS 32 CO 0.00 0.11 -0.00 0.14 0.10 0.00 0.00 175.35 175.70 1v86 s VAL 33 N 0.76 0.13 0.55 1.79 -7.23 -0.93 -4.87 120.40 110.60 1v86 s VAL 33 Ca 0.00 -1.10 -0.17 0.00 -1.81 0.00 0.00 61.98 58.89 1v86 s VAL 33 Cb -0.14 -0.61 -0.06 0.00 0.56 0.00 0.00 36.38 36.13 1v86 s VAL 33 CO 0.02 -0.61 1.04 -2.16 -0.31 0.00 0.00 175.10 173.09 1v86 s PRO 34 N -2.10 3.55 0.17 4.82 0.04 -1.26 0.19 135.00 140.41 1v86 s PRO 34 Ca -0.10 1.24 0.25 0.00 0.04 0.00 0.00 61.00 62.44 1v86 s PRO 34 Cb -0.05 -2.06 0.60 0.00 0.04 0.00 0.00 34.50 33.02 1v86 s PRO 34 CO -0.03 -0.62 1.58 -0.11 0.04 0.00 0.00 177.00 177.85 1v86 n LEU 35 N -1.59 0.78 0.02 -3.56 7.94 -1.26 -3.04 117.00 116.29 1v86 n LEU 35 Ca 0.09 0.43 0.10 0.00 -1.11 0.00 0.00 56.01 55.52 1v86 n LEU 35 Cb 0.53 -0.26 0.45 0.00 0.53 0.00 0.00 43.42 44.67 1v86 n LEU 35 CO 0.44 -0.13 0.84 0.47 -1.11 0.00 0.00 177.39 177.90 1v86 n ASP 36 N -2.21 0.11 -4.75 1.96 8.00 -1.26 -2.71 116.55 115.68 1v86 n ASP 36 Ca 0.05 0.52 -0.41 0.00 0.71 0.00 0.00 54.79 55.65 1v86 n ASP 36 Cb 0.44 -0.54 -0.02 0.00 -0.02 0.00 0.00 41.12 40.97 1v86 n ASP 36 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1v86 s SER 37 N -3.20 6.74 0.32 -2.24 0.01 -1.17 -4.88 113.70 109.28 1v86 s SER 37 Ca 0.10 2.64 -0.28 0.00 1.31 0.00 0.00 55.95 59.72 1v86 s SER 37 Cb 0.13 -2.63 -0.09 0.00 0.21 0.00 0.00 66.02 63.63 1v86 s SER 37 CO 0.40 -0.60 1.15 0.42 0.41 0.00 0.00 173.24 175.01 1v86 s THR 38 N -0.50 3.28 0.59 1.44 -4.23 -1.26 -2.03 115.64 112.93 1v86 s THR 38 Ca 0.54 1.22 0.32 0.00 -1.18 0.00 0.00 61.69 62.60 1v86 s THR 38 Cb -0.40 -3.75 0.46 0.00 1.34 0.00 0.00 72.50 70.15 1v86 s THR 38 CO 0.47 0.24 1.50 1.23 -0.54 0.00 0.00 174.62 177.52 1v86 h GLY 39 N 3.41 0.00 0.73 3.99 0.00 -0.42 1.43 103.07 112.20 1v86 h GLY 39 Ca -0.48 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.71 1v86 h GLY 39 CO 0.65 0.00 -0.56 1.48 0.00 0.00 0.00 176.54 178.11 1v86 h SER 40 N 0.00 0.48 -1.09 0.19 4.64 -1.79 -3.22 113.55 112.76 1v86 h SER 40 Ca 0.53 -0.77 0.33 0.00 -0.47 0.00 0.00 61.79 61.40 1v86 h SER 40 Cb 2.71 -0.15 -0.13 0.00 -0.31 0.00 0.00 62.40 64.52 1v86 h SER 40 CO -0.01 1.19 0.66 -0.33 -0.87 0.00 0.00 176.83 177.48 1v86 h GLU 41 N -0.18 0.29 -0.96 4.77 5.08 0.16 0.26 114.58 124.01 1v86 h GLU 41 Ca -0.07 -0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.46 1v86 h GLU 41 Cb 1.28 -0.07 -0.18 0.00 0.50 0.00 0.00 28.75 30.29 1v86 h GLU 41 CO 0.11 0.19 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.00 1v86 h LEU 42 N 0.30 -0.89 -0.32 1.33 3.38 -1.53 0.89 115.31 118.47 1v86 h LEU 42 Ca 0.72 0.29 0.06 0.00 0.09 0.00 0.00 57.88 59.04 1v86 h LEU 42 Cb 1.82 0.59 -0.08 0.00 0.09 0.00 0.00 40.66 43.09 1v86 h LEU 42 CO -0.48 -0.32 -0.40 0.11 0.09 0.00 0.00 178.44 177.45 1v86 h LYS 43 N 0.00 -0.35 0.00 1.13 6.56 -0.68 1.89 116.57 125.13 1v86 h LYS 43 Ca 0.46 0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 60.07 1v86 h LYS 43 Cb 0.70 0.08 -0.00 0.00 -0.57 0.00 0.00 32.23 32.44 1v86 h LYS 43 CO -0.99 -0.23 -0.04 1.96 -2.06 0.00 0.00 179.45 178.09 1v86 h GLN 44 N -0.36 0.00 0.00 3.15 1.08 0.08 1.47 115.11 120.53 1v86 h GLN 44 Ca 0.13 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.13 1v86 h GLN 44 Cb 0.58 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.99 1v86 h GLN 44 CO -0.51 0.04 -0.97 -0.22 -0.95 0.00 0.00 178.83 176.22 1v86 h LYS 45 N 0.00 0.00 0.10 1.46 1.63 0.66 -2.86 116.57 117.57 1v86 h LYS 45 Ca -0.00 0.00 -0.36 0.00 -0.85 0.00 0.00 60.65 59.44 1v86 h LYS 45 Cb 0.33 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.94 1v86 h LYS 45 CO 0.01 0.81 -2.00 -0.89 -3.45 0.00 0.00 179.45 173.92 1v86 n ILE 46 N -3.27 1.73 0.32 2.00 5.41 0.58 -3.90 119.36 122.23 1v86 n ILE 46 Ca -0.02 -0.60 0.21 0.00 1.00 0.00 0.00 62.75 63.34 1v86 n ILE 46 Cb 0.90 -1.73 1.09 0.00 -0.71 0.00 0.00 39.64 39.19 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 -0.03 0.00 0.00 1.39 -0.00 0.19 0.70 115.15 117.40 1v86 h HIS 47 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.93 1v86 h HIS 47 Cb 1.96 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.37 1v86 h HIS 47 CO 0.07 0.01 0.00 1.03 -0.00 0.00 0.00 177.93 179.04 1v86 h SER 48 N 0.00 0.00 0.00 3.26 0.87 -1.62 -2.35 113.55 113.71 1v86 h SER 48 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1v86 h SER 48 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 1v86 h SER 48 CO 0.00 0.00 -0.41 -0.38 -0.53 0.00 0.00 176.83 175.51 1v86 n ILE 49 N -2.94 1.06 -0.35 2.23 5.41 0.75 -4.63 119.36 120.89 1v86 n ILE 49 Ca 0.02 0.27 0.23 0.00 1.00 0.00 0.00 62.75 64.27 1v86 n ILE 49 Cb 0.40 -1.83 0.47 0.00 -0.71 0.00 0.00 39.64 37.97 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 -0.41 0.44 0.00 1.39 1.35 0.06 -3.44 112.91 112.30 1v86 h THR 50 Ca 0.00 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 1v86 h THR 50 Cb 0.41 -0.01 0.00 0.00 -1.73 0.00 0.00 68.15 66.82 1v86 h THR 50 CO 0.00 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 1v86 n GLY 51 N -1.38 2.63 3.92 5.82 0.00 -0.88 -5.01 105.19 110.29 1v86 n GLY 51 Ca 0.29 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.04 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 2.93 0.43 0.99 2.34 -1.26 -4.31 118.68 119.80 1v86 s LEU 52 Ca 0.00 0.58 -0.23 0.00 0.06 0.00 0.00 54.13 54.54 1v86 s LEU 52 Cb 0.00 -3.28 -0.09 0.00 -0.56 0.00 0.00 46.19 42.26 1v86 s LEU 52 CO 0.00 -1.44 1.05 -2.16 -1.06 0.00 0.00 176.35 172.74 1v86 s PRO 53 N -5.19 4.03 0.24 1.48 0.04 -1.26 -4.61 135.00 129.73 1v86 s PRO 53 Ca 0.58 1.47 0.11 0.00 0.04 0.00 0.00 61.00 63.20 1v86 s PRO 53 Cb -0.11 -2.39 0.22 0.00 0.04 0.00 0.00 34.50 32.27 1v86 s PRO 53 CO 0.45 -0.25 1.52 -1.00 0.04 0.00 0.00 177.00 177.76 1v86 h PRO 54 N 2.17 0.00 -0.71 0.56 0.13 -1.96 -3.07 132.00 129.12 1v86 h PRO 54 Ca -0.49 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.72 1v86 h PRO 54 Cb 1.22 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 1v86 h PRO 54 CO 0.61 0.68 0.47 0.00 -0.23 0.00 0.00 178.00 179.53 1v86 h ALA 55 N 1.32 1.76 -0.87 -0.56 0.00 -2.00 0.09 119.26 119.01 1v86 h ALA 55 Ca -0.01 -0.02 -0.51 0.00 0.00 0.00 0.00 54.91 54.37 1v86 h ALA 55 Cb 1.28 -0.17 -0.28 0.00 0.00 0.00 0.00 17.79 18.62 1v86 h ALA 55 CO 0.09 0.11 0.50 -1.33 0.00 0.00 0.00 179.25 178.62 1v86 n MET 56 N -4.48 2.40 -4.24 0.00 2.81 -1.16 -4.96 117.12 107.49 1v86 n MET 56 Ca 0.11 -3.21 -0.28 0.00 -1.81 0.00 0.00 57.70 52.51 1v86 n MET 56 Cb 0.27 -2.16 -0.09 0.00 -0.71 0.00 0.00 33.22 30.53 1v86 n MET 56 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1v86 s GLN 57 N -3.47 2.18 -0.45 0.03 -0.21 0.02 -4.22 119.66 113.54 1v86 s GLN 57 Ca 0.57 -1.12 0.03 0.00 0.02 0.00 0.00 55.36 54.85 1v86 s GLN 57 Cb 0.47 -2.27 0.13 0.00 1.00 0.00 0.00 33.01 32.33 1v86 s GLN 57 CO 0.05 0.47 0.21 0.21 -2.12 0.00 0.00 175.29 174.11 1v86 s LYS 58 N -2.61 1.51 -0.40 2.91 2.20 -1.25 -4.93 119.74 117.16 1v86 s LYS 58 Ca 0.24 -2.13 -0.23 0.00 -0.36 0.00 0.00 55.97 53.49 1v86 s LYS 58 Cb -0.10 -2.76 0.02 0.00 -1.51 0.00 0.00 37.83 33.48 1v86 s LYS 58 CO 0.16 -1.10 0.78 0.08 -0.36 0.00 0.00 175.35 174.91 1v86 s VAL 59 N 0.29 4.69 -0.17 4.02 1.01 -1.26 -4.08 120.40 124.89 1v86 s VAL 59 Ca 0.16 0.67 -0.06 0.00 0.00 0.00 0.00 61.98 62.74 1v86 s VAL 59 Cb -0.24 -4.26 0.08 0.00 0.00 0.00 0.00 36.38 31.96 1v86 s VAL 59 CO -0.03 -0.57 0.37 -0.04 0.00 0.00 0.00 175.10 174.83 1v86 s MET 60 N 3.19 0.27 -0.31 2.72 1.00 -1.25 -4.23 119.30 120.69 1v86 s MET 60 Ca 0.31 0.92 0.01 0.00 0.00 0.00 0.00 55.69 56.93 1v86 s MET 60 Cb -0.13 0.19 0.10 0.00 0.00 0.00 0.00 34.83 34.99 1v86 s MET 60 CO 0.20 -0.25 0.07 -0.47 0.00 0.00 0.00 175.02 174.56 1v86 s TYR 61 N 2.45 2.50 -0.69 -0.03 5.04 -1.26 -3.82 117.35 121.54 1v86 s TYR 61 Ca -0.01 -2.18 0.00 0.00 -2.44 0.00 0.00 57.07 52.44 1v86 s TYR 61 Cb -0.12 -2.13 0.00 0.00 0.35 0.00 0.00 41.96 40.06 1v86 s TYR 61 CO -0.11 -0.89 0.00 1.63 -1.34 0.00 0.00 175.55 174.84 1v86 n LYS 62 N 4.62 -1.94 0.00 4.97 4.76 -1.26 -4.66 118.16 124.65 1v86 n LYS 62 Ca -0.01 0.39 0.00 0.00 -2.87 0.00 0.00 58.31 55.82 1v86 n LYS 62 Cb 0.42 -4.76 0.00 0.00 -1.84 0.00 0.00 35.03 28.85 1v86 n LYS 62 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1v86 n GLY 63 N -0.44 4.09 3.66 0.72 0.00 -1.26 -5.11 105.19 106.85 1v86 n GLY 63 Ca -0.08 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 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 3.07 -4.50 0.99 7.99 -1.26 -4.72 117.00 118.57 1v86 n LEU 64 Ca 0.00 1.18 -0.41 0.00 -0.01 0.00 0.00 56.01 56.77 1v86 n LEU 64 Cb 0.00 -1.43 -0.10 0.00 -0.11 0.00 0.00 43.42 41.78 1v86 n LEU 64 CO 0.00 -0.81 -0.11 -0.69 -1.51 0.00 0.00 177.39 174.28 1v86 s VAL 65 N -1.11 5.25 -0.39 4.08 1.01 -1.26 -4.88 120.40 123.09 1v86 s VAL 65 Ca 0.57 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 1v86 s VAL 65 Cb -0.60 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.01 1v86 s VAL 65 CO 0.61 -0.12 1.40 -2.16 0.00 0.00 0.00 175.10 174.83 1v86 s PRO 66 N 1.70 3.63 0.31 2.72 0.04 -1.26 -4.85 135.00 137.29 1v86 s PRO 66 Ca 0.06 1.00 0.23 0.00 0.04 0.00 0.00 61.00 62.33 1v86 s PRO 66 Cb -0.18 -4.00 1.13 0.00 0.04 0.00 0.00 34.50 31.49 1v86 s PRO 66 CO 0.10 -1.49 1.70 0.39 0.04 0.00 0.00 177.00 177.74 1v86 n GLU 67 N 7.95 0.17 -0.01 4.56 1.02 -1.26 -0.24 120.64 132.82 1v86 n GLU 67 Ca 0.16 0.56 0.14 0.00 -0.02 0.00 0.00 57.16 58.01 1v86 n GLU 67 Cb 0.48 -1.95 0.72 0.00 -0.02 0.00 0.00 31.44 30.67 1v86 n GLU 67 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1v86 n ASP 68 N -2.29 0.62 -4.06 1.62 8.00 -1.26 -4.01 116.55 115.18 1v86 n ASP 68 Ca -0.00 -1.26 -0.12 0.00 0.71 0.00 0.00 54.79 54.11 1v86 n ASP 68 Cb 0.11 -0.01 -0.11 0.00 -0.02 0.00 0.00 41.12 41.09 1v86 n ASP 68 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1v86 s LYS 69 N -1.98 0.51 0.62 -1.24 -0.14 0.66 -5.00 119.74 113.17 1v86 s LYS 69 Ca 0.41 -0.76 -0.07 0.00 -1.36 0.00 0.00 55.97 54.19 1v86 s LYS 69 Cb 0.20 -0.24 0.01 0.00 -1.68 0.00 0.00 37.83 36.13 1v86 s LYS 69 CO 0.33 0.04 0.95 0.95 -0.76 0.00 0.00 175.35 176.86 1v86 s THR 70 N -1.47 3.54 0.15 2.17 -4.23 -1.26 0.20 115.64 114.73 1v86 s THR 70 Ca -0.10 0.08 -0.27 0.00 -1.18 0.00 0.00 61.69 60.22 1v86 s THR 70 Cb -0.09 -3.43 -0.01 0.00 1.34 0.00 0.00 72.50 70.30 1v86 s THR 70 CO 0.00 -0.47 1.58 -0.07 -0.54 0.00 0.00 174.62 175.12 1v86 h LEU 71 N -0.30 -1.38 -1.97 4.79 3.38 -1.45 1.91 115.31 120.29 1v86 h LEU 71 Ca -0.45 0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1v86 h LEU 71 Cb 1.26 0.59 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1v86 h LEU 71 CO 0.61 -0.38 0.31 -0.09 0.09 0.00 0.00 178.44 178.98 1v86 h ARG 72 N -0.36 0.00 0.04 1.13 2.43 -1.79 0.32 114.38 116.15 1v86 h ARG 72 Ca 0.12 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.93 1v86 h ARG 72 Cb 0.59 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.09 1v86 h ARG 72 CO -0.53 0.00 -2.16 0.39 -1.51 0.00 0.00 179.97 176.17 1v86 n GLU 73 N -2.83 0.69 0.00 0.20 -0.58 0.42 -3.96 120.64 114.58 1v86 n GLU 73 Ca -0.02 0.19 0.13 0.00 -0.42 0.00 0.00 57.16 57.04 1v86 n GLU 73 Cb 0.35 -1.64 0.74 0.00 -0.57 0.00 0.00 31.44 30.32 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 -3.20 0.07 -1.45 -3.67 -6.64 0.54 -4.89 119.36 100.11 1v86 n ILE 74 Ca -0.33 0.02 0.00 0.00 -1.77 0.00 0.00 62.75 60.66 1v86 n ILE 74 Cb 1.05 -0.60 0.00 0.00 -1.44 0.00 0.00 39.64 38.65 1v86 n ILE 74 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 1v86 n LYS 75 N -1.10 0.00 -4.35 6.28 5.02 0.60 -5.03 118.16 119.59 1v86 n LYS 75 Ca 0.17 0.48 -0.26 0.00 -2.02 0.00 0.00 58.31 56.68 1v86 n LYS 75 Cb 0.13 -1.45 -0.13 0.00 -0.02 0.00 0.00 35.03 33.56 1v86 n LYS 75 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1v86 s VAL 76 N -1.38 2.02 0.29 -0.18 1.01 -0.80 -4.98 120.40 116.39 1v86 s VAL 76 Ca 0.00 -1.71 0.06 0.00 0.00 0.00 0.00 61.98 60.33 1v86 s VAL 76 Cb 0.00 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 1v86 s VAL 76 CO 0.00 -0.01 0.20 0.35 0.00 0.00 0.00 175.10 175.64 1v86 n THR 77 N 0.89 0.00 -2.74 3.92 -2.24 -1.26 -4.73 114.28 108.12 1v86 n THR 77 Ca -0.18 -2.01 -0.42 0.00 -2.27 0.00 0.00 64.05 59.17 1v86 n THR 77 Cb 0.54 0.93 -0.04 0.00 -2.10 0.00 0.00 70.33 69.66 1v86 n THR 77 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1v86 s SER 78 N -2.97 6.32 0.00 3.42 0.15 -1.26 -3.20 113.70 116.15 1v86 s SER 78 Ca 0.29 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.60 1v86 s SER 78 Cb 0.01 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1v86 s SER 78 CO 0.20 -1.41 0.00 0.61 1.20 0.00 0.00 173.24 173.85 1v86 n GLY 79 N 5.17 1.74 3.10 9.45 0.00 0.46 -4.88 105.19 120.23 1v86 n GLY 79 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 1v86 n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v86 n ALA 80 N -0.47 -4.87 -2.80 4.61 0.00 -1.20 -4.78 120.51 111.01 1v86 n ALA 80 Ca 0.00 -1.49 -0.20 0.00 0.00 0.00 0.00 53.44 51.74 1v86 n ALA 80 Cb 0.00 -0.13 -0.15 0.00 0.00 0.00 0.00 19.45 19.17 1v86 n ALA 80 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1v86 s LYS 81 N -5.06 0.96 -0.07 0.00 2.47 -1.26 -2.99 119.74 113.79 1v86 s LYS 81 Ca 0.65 -0.37 0.01 0.00 -1.56 0.00 0.00 55.97 54.70 1v86 s LYS 81 Cb -0.11 -0.91 0.02 0.00 -1.46 0.00 0.00 37.83 35.37 1v86 s LYS 81 CO 0.54 0.19 -0.09 0.42 0.16 0.00 0.00 175.35 176.57 1v86 s ILE 82 N -0.07 0.94 -0.22 5.43 -1.09 -0.90 -4.64 121.20 120.65 1v86 s ILE 82 Ca 0.01 -0.32 -0.01 0.00 -2.23 0.00 0.00 60.65 58.10 1v86 s ILE 82 Cb -0.06 -0.91 0.01 0.00 -1.58 0.00 0.00 42.46 39.92 1v86 s ILE 82 CO 0.00 0.33 -0.10 -0.32 -1.23 0.00 0.00 174.94 173.62 1v86 s MET 83 N 1.07 3.02 0.23 2.79 1.75 -1.25 0.84 119.30 127.75 1v86 s MET 83 Ca -0.08 -0.84 0.07 0.00 -1.25 0.00 0.00 55.69 53.60 1v86 s MET 83 Cb -0.14 -2.87 -0.04 0.00 2.84 0.00 0.00 34.83 34.62 1v86 s MET 83 CO -0.01 -0.29 0.10 0.08 -0.65 0.00 0.00 175.02 174.26 1v86 s VAL 84 N 1.35 4.09 0.20 10.11 1.01 0.14 -3.89 120.40 133.42 1v86 s VAL 84 Ca 0.03 -1.47 -0.04 0.00 0.00 0.00 0.00 61.98 60.50 1v86 s VAL 84 Cb -0.15 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 1v86 s VAL 84 CO -0.07 -0.27 0.21 0.54 0.00 0.00 0.00 175.10 175.52 1v86 s VAL 85 N -2.04 0.02 0.00 2.92 0.11 -1.26 -4.47 120.40 115.69 1v86 s VAL 85 Ca 0.31 -1.79 0.00 0.00 -2.93 0.00 0.00 61.98 57.57 1v86 s VAL 85 Cb -0.08 -2.30 0.00 0.00 -1.53 0.00 0.00 36.38 32.47 1v86 s VAL 85 CO 0.22 -0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.51 1v86 n GLY 86 N -0.27 2.12 3.05 6.54 0.00 -1.26 -3.93 105.19 111.45 1v86 n GLY 86 Ca -0.01 -1.55 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 1v86 n GLY 86 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v86 s SER 87 N 0.00 2.80 -0.08 1.61 0.01 -1.26 -5.02 113.70 111.76 1v86 s SER 87 Ca 0.00 -0.53 -0.03 0.00 1.31 0.00 0.00 55.95 56.70 1v86 s SER 87 Cb 0.00 -1.26 0.04 0.00 0.21 0.00 0.00 66.02 65.01 1v86 s SER 87 CO 0.00 -0.03 0.09 -0.89 0.41 0.00 0.00 173.24 172.82 1v86 s THR 88 N 1.37 -0.14 -0.56 1.44 2.01 -1.26 -5.10 115.64 113.41 1v86 s THR 88 Ca 0.04 0.27 -0.25 0.00 0.31 0.00 0.00 61.69 62.06 1v86 s THR 88 Cb -0.13 -0.29 0.04 0.00 0.01 0.00 0.00 72.50 72.13 1v86 s THR 88 CO -0.10 0.06 0.97 -0.63 -0.69 0.00 0.00 174.62 174.23 1v86 s ILE 89 N 2.19 4.34 0.21 1.82 1.09 -1.26 -4.64 121.20 124.95 1v86 s ILE 89 Ca 0.04 0.32 0.00 0.00 -1.10 0.00 0.00 60.65 59.91 1v86 s ILE 89 Cb -0.13 -4.57 0.00 0.00 -1.06 0.00 0.00 42.46 36.70 1v86 s ILE 89 CO -0.05 -1.16 0.00 -0.24 -0.10 0.00 0.00 174.94 173.39 1v86 n SER 90 N 7.59 -0.78 -2.76 3.58 2.88 -1.26 -5.13 113.62 117.74 1v86 n SER 90 Ca 0.02 0.37 -0.03 0.00 -1.33 0.00 0.00 58.87 57.90 1v86 n SER 90 Cb 0.48 0.88 -0.03 0.00 -0.75 0.00 0.00 64.21 64.79 1v86 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v86 n GLY 91 N 0.70 -3.72 3.64 0.46 0.00 -1.26 -4.85 105.19 100.16 1v86 n GLY 91 Ca 0.00 1.09 -0.43 0.00 0.00 0.00 0.00 46.02 46.68 1v86 n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v86 s PRO 92 N -0.77 4.01 -0.15 1.61 0.04 -1.26 -4.90 135.00 133.58 1v86 s PRO 92 Ca -0.16 1.43 -0.13 0.00 0.04 0.00 0.00 61.00 62.18 1v86 s PRO 92 Cb 0.01 -3.86 -0.04 0.00 0.04 0.00 0.00 34.50 30.65 1v86 s PRO 92 CO 0.59 -1.00 -0.26 0.45 0.04 0.00 0.00 177.00 176.82 1v86 n SER 93 N 7.37 1.66 -2.32 6.66 2.88 -1.26 -5.10 113.62 123.51 1v86 n SER 93 Ca 0.15 0.38 -0.04 0.00 -1.33 0.00 0.00 58.87 58.03 1v86 n SER 93 Cb 0.46 -0.74 -0.03 0.00 -0.75 0.00 0.00 64.21 63.14 1v86 n SER 93 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1v86 n SER 94 N -4.25 -1.75 0.00 -3.46 7.64 -1.26 -5.35 113.62 105.19 1v86 n SER 94 Ca -0.10 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.92 1v86 n SER 94 Cb 0.39 -4.40 0.00 0.00 -1.01 0.00 0.00 64.21 59.18 1v86 n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64