#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 -0.00 -0.23 1.61 0.01 -1.26 -5.19 113.70 108.64 1v86 s SER 2 Ca 0.00 0.00 -0.31 0.00 1.31 0.00 0.00 55.95 56.95 1v86 s SER 2 Cb 0.00 0.00 0.16 0.00 0.21 0.00 0.00 66.02 66.39 1v86 s SER 2 CO 0.00 -0.00 1.23 -0.94 0.41 0.00 0.00 173.24 173.94 1v86 s SER 3 N -0.79 -0.15 0.00 2.44 1.04 -1.26 -5.18 113.70 109.81 1v86 s SER 3 Ca 0.10 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.64 1v86 s SER 3 Cb -0.02 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1v86 s SER 3 CO -0.11 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.56 1v86 n GLY 4 N 0.40 2.26 3.57 7.32 0.00 -1.26 -5.19 105.19 112.30 1v86 n GLY 4 Ca -0.02 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.43 -0.05 1.61 0.15 -1.26 -5.19 113.70 108.53 1v86 s SER 5 Ca 0.00 -0.20 -0.31 0.00 0.70 0.00 0.00 55.95 56.14 1v86 s SER 5 Cb 0.00 0.60 0.12 0.00 -1.71 0.00 0.00 66.02 65.04 1v86 s SER 5 CO 0.00 -1.03 1.27 -0.55 1.20 0.00 0.00 173.24 174.13 1v86 s SER 6 N -2.78 -0.07 -0.02 5.45 0.15 -1.26 -5.19 113.70 109.98 1v86 s SER 6 Ca 0.05 -0.11 -0.29 0.00 0.70 0.00 0.00 55.95 56.30 1v86 s SER 6 Cb -0.02 0.16 0.10 0.00 -1.71 0.00 0.00 66.02 64.54 1v86 s SER 6 CO -0.06 -0.29 0.82 -0.83 1.20 0.00 0.00 173.24 174.08 1v86 s GLY 7 N -2.82 -0.47 -0.06 9.45 0.00 -1.26 -5.18 107.32 106.98 1v86 s GLY 7 Ca 0.13 1.23 -0.31 0.00 0.00 0.00 0.00 44.72 45.78 1v86 s GLY 7 CO -0.04 0.60 0.69 0.99 0.00 0.00 0.00 173.10 175.34 1v86 s ASP 8 N -1.94 -0.65 -0.29 1.64 1.01 -1.26 -5.17 116.67 110.01 1v86 s ASP 8 Ca -0.00 0.74 -0.27 0.00 0.71 0.00 0.00 52.55 53.72 1v86 s ASP 8 Cb -0.01 0.57 0.19 0.00 1.01 0.00 0.00 42.92 44.68 1v86 s ASP 8 CO -0.03 -0.59 1.38 0.00 0.21 0.00 0.00 175.17 176.14 1v86 s ALA 9 N -1.12 -2.16 0.09 5.23 0.00 -1.26 -5.19 121.76 117.35 1v86 s ALA 9 Ca -0.10 1.78 -0.08 0.00 0.00 0.00 0.00 51.96 53.55 1v86 s ALA 9 Cb -0.00 -1.62 0.03 0.00 0.00 0.00 0.00 23.12 21.53 1v86 s ALA 9 CO 0.09 -0.17 0.40 0.41 0.00 0.00 0.00 175.76 176.49 1v86 n GLY 10 N 1.10 1.13 3.25 0.00 0.00 -1.26 -5.08 105.19 104.34 1v86 n GLY 10 Ca -0.06 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 1v86 n GLY 10 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1v86 s GLY 11 N -2.37 0.67 0.00 -0.02 0.00 -1.26 -5.17 107.32 99.16 1v86 s GLY 11 Ca 0.09 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.69 1v86 s GLY 11 CO 0.03 -1.05 0.00 0.61 0.00 0.00 0.00 173.10 172.69 1v86 n GLY 12 N -0.16 2.23 3.36 0.20 0.00 -1.26 -4.78 105.19 104.78 1v86 n GLY 12 Ca -0.07 -0.84 -0.28 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.00 2.11 0.00 1.61 -7.23 -1.26 -4.93 120.40 108.70 1v86 s VAL 13 Ca 0.00 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 1v86 s VAL 13 Cb 0.00 -1.88 0.00 0.00 0.56 0.00 0.00 36.38 35.06 1v86 s VAL 13 CO 0.00 0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.48 1v86 n GLY 14 N 1.03 1.70 0.00 2.32 0.00 -1.26 -4.86 105.19 104.13 1v86 n GLY 14 Ca -0.18 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.04 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 0.00 0.06 -1.65 1.61 4.76 -1.26 -5.09 118.16 116.60 1v86 n LYS 15 Ca 0.00 0.00 -0.44 0.00 -2.87 0.00 0.00 58.31 55.00 1v86 n LYS 15 Cb 0.00 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.15 1v86 n LYS 15 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1v86 n GLU 16 N 0.00 2.47 -1.21 1.97 2.13 -1.26 -4.88 120.64 119.87 1v86 n GLU 16 Ca 0.00 0.87 -0.38 0.00 0.66 0.00 0.00 57.16 58.30 1v86 n GLU 16 Cb 0.00 -2.95 0.02 0.00 0.27 0.00 0.00 31.44 28.78 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 8.25 -3.67 -4.77 4.31 7.99 -1.26 -4.88 117.00 122.97 1v86 n LEU 17 Ca 0.23 0.56 -0.39 0.00 -0.01 0.00 0.00 56.01 56.40 1v86 n LEU 17 Cb 0.38 -0.87 -0.06 0.00 -0.11 0.00 0.00 43.42 42.77 1v86 n LEU 17 CO 0.69 -4.86 0.47 0.54 -1.51 0.00 0.00 177.39 172.72 1v86 s VAL 18 N -1.98 4.46 -0.32 4.08 0.11 0.50 -4.71 120.40 122.54 1v86 s VAL 18 Ca 0.55 1.67 -0.29 0.00 -2.93 0.00 0.00 61.98 60.97 1v86 s VAL 18 Cb -0.42 -4.12 0.01 0.00 -1.53 0.00 0.00 36.38 30.32 1v86 s VAL 18 CO 0.69 0.49 1.17 -1.81 -3.33 0.00 0.00 175.10 172.30 1v86 s ASP 19 N -0.90 6.81 0.04 3.54 1.01 -1.26 -2.25 116.67 123.66 1v86 s ASP 19 Ca 0.36 1.06 0.06 0.00 0.71 0.00 0.00 52.55 54.75 1v86 s ASP 19 Cb -0.22 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.14 1v86 s ASP 19 CO 0.25 -0.99 -0.18 -0.76 0.21 0.00 0.00 175.17 173.71 1v86 s LEU 20 N 4.00 2.17 -0.30 1.23 1.43 -0.73 0.18 118.68 126.67 1v86 s LEU 20 Ca 0.50 -0.50 -0.08 0.00 -1.03 0.00 0.00 54.13 53.03 1v86 s LEU 20 Cb -0.13 -0.81 0.00 0.00 0.03 0.00 0.00 46.19 45.28 1v86 s LEU 20 CO 0.20 0.10 0.10 -0.54 0.23 0.00 0.00 176.35 176.44 1v86 s LYS 21 N -1.18 3.15 -0.95 1.70 1.02 -1.17 -2.19 119.74 120.13 1v86 s LYS 21 Ca 0.05 -0.82 -0.24 0.00 0.02 0.00 0.00 55.97 54.98 1v86 s LYS 21 Cb -0.08 -3.43 0.02 0.00 -0.52 0.00 0.00 37.83 33.82 1v86 s LYS 21 CO 0.02 -0.44 1.58 0.42 -0.92 0.00 0.00 175.35 176.01 1v86 s ILE 22 N 1.53 3.76 0.29 2.17 -1.09 -0.81 -1.28 121.20 125.77 1v86 s ILE 22 Ca 0.03 -0.53 -0.28 0.00 -2.23 0.00 0.00 60.65 57.64 1v86 s ILE 22 Cb -0.17 -4.74 -0.09 0.00 -1.58 0.00 0.00 42.46 35.88 1v86 s ILE 22 CO 0.04 -1.64 0.96 -0.63 -1.23 0.00 0.00 174.94 172.43 1v86 s ILE 23 N 6.51 4.07 -0.30 2.92 -1.09 0.30 -3.61 121.20 130.00 1v86 s ILE 23 Ca 0.52 1.90 -0.18 0.00 -2.23 0.00 0.00 60.65 60.66 1v86 s ILE 23 Cb -0.03 -4.13 0.19 0.00 -1.58 0.00 0.00 42.46 36.91 1v86 s ILE 23 CO -0.05 0.31 1.19 0.86 -1.23 0.00 0.00 174.94 176.03 1v86 s TRP 24 N -1.39 -0.26 0.00 3.97 -0.00 -1.25 -1.48 118.94 118.52 1v86 s TRP 24 Ca 0.46 0.46 0.00 0.00 -0.00 0.00 0.00 56.10 57.02 1v86 s TRP 24 Cb -0.23 0.16 0.00 0.00 -0.00 0.00 0.00 33.47 33.40 1v86 s TRP 24 CO 0.29 -0.13 0.00 0.09 -0.00 0.00 0.00 176.95 177.20 1v86 n ASN 25 N 4.59 0.00 -1.56 5.86 3.02 -1.26 -2.09 115.26 123.82 1v86 n ASN 25 Ca -0.08 0.00 -0.00 0.00 -0.03 0.00 0.00 54.58 54.47 1v86 n ASN 25 Cb 0.55 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.72 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 0.05 -4.54 3.52 2.85 -1.26 -5.16 118.16 113.62 1v86 n LYS 26 Ca 0.00 -0.05 -0.26 0.00 -1.05 0.00 0.00 58.31 56.95 1v86 n LYS 26 Cb 0.00 0.02 -0.11 0.00 -0.65 0.00 0.00 35.03 34.29 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 0.00 2.17 -0.24 0.58 -4.23 -0.89 -5.13 115.64 107.91 1v86 s THR 27 Ca 0.00 -2.19 -0.03 0.00 -1.18 0.00 0.00 61.69 58.30 1v86 s THR 27 Cb 0.02 -2.66 0.08 0.00 1.34 0.00 0.00 72.50 71.28 1v86 s THR 27 CO -0.00 -0.20 0.09 -1.59 -0.54 0.00 0.00 174.62 172.38 1v86 s LYS 28 N -3.63 0.42 -0.26 3.99 -2.85 -1.26 -3.90 119.74 112.25 1v86 s LYS 28 Ca 0.32 -0.54 -0.06 0.00 -1.00 0.00 0.00 55.97 54.69 1v86 s LYS 28 Cb 0.03 -1.75 -0.01 0.00 -2.06 0.00 0.00 37.83 34.05 1v86 s LYS 28 CO 0.16 -0.84 0.05 -1.01 0.10 0.00 0.00 175.35 173.81 1v86 s HIS 29 N 1.93 3.08 -0.07 1.78 3.76 -1.24 -4.95 115.29 119.58 1v86 s HIS 29 Ca 0.05 -0.82 -0.30 0.00 -0.15 0.00 0.00 55.06 53.84 1v86 s HIS 29 Cb -0.17 -2.21 -0.03 0.00 1.11 0.00 0.00 32.58 31.28 1v86 s HIS 29 CO -0.21 -0.51 1.23 0.16 -0.85 0.00 0.00 174.74 174.56 1v86 s ASP 30 N 1.52 7.01 -0.00 1.40 -4.77 -1.26 -1.92 116.67 118.66 1v86 s ASP 30 Ca 0.04 1.82 0.00 0.00 -3.30 0.00 0.00 52.55 51.12 1v86 s ASP 30 Cb -0.16 -2.55 -0.00 0.00 -1.09 0.00 0.00 42.92 39.12 1v86 s ASP 30 CO 0.01 -0.63 -0.01 0.68 0.70 0.00 0.00 175.17 175.93 1v86 s VAL 31 N 2.45 0.08 -0.30 2.11 -7.23 -0.93 -5.01 120.40 111.57 1v86 s VAL 31 Ca 0.56 -0.04 -0.05 0.00 -1.81 0.00 0.00 61.98 60.65 1v86 s VAL 31 Cb -0.25 -0.08 0.03 0.00 0.56 0.00 0.00 36.38 36.65 1v86 s VAL 31 CO 0.21 0.02 0.05 -1.59 -0.31 0.00 0.00 175.10 173.48 1v86 s LYS 32 N -0.00 2.73 0.12 4.82 -2.85 -1.26 -1.77 119.74 121.53 1v86 s LYS 32 Ca 0.00 -1.08 0.07 0.00 -1.00 0.00 0.00 55.97 53.96 1v86 s LYS 32 Cb -0.01 -3.29 -0.04 0.00 -2.06 0.00 0.00 37.83 32.44 1v86 s LYS 32 CO -0.00 -0.55 -0.17 0.14 0.10 0.00 0.00 175.35 174.87 1v86 s VAL 33 N 1.38 1.51 0.59 1.79 -7.23 -0.95 -4.83 120.40 112.65 1v86 s VAL 33 Ca -0.01 -1.65 -0.16 0.00 -1.81 0.00 0.00 61.98 58.35 1v86 s VAL 33 Cb -0.18 -1.54 -0.04 0.00 0.56 0.00 0.00 36.38 35.18 1v86 s VAL 33 CO 0.01 -0.27 1.05 -2.16 -0.31 0.00 0.00 175.10 173.42 1v86 s PRO 34 N -2.35 3.38 0.00 4.82 0.04 -1.26 0.19 135.00 139.81 1v86 s PRO 34 Ca 0.08 1.16 0.31 0.00 0.04 0.00 0.00 61.00 62.59 1v86 s PRO 34 Cb -0.07 -2.04 1.64 0.00 0.04 0.00 0.00 34.50 34.07 1v86 s PRO 34 CO 0.04 -0.76 2.11 -0.11 0.04 0.00 0.00 177.00 178.32 1v86 n LEU 35 N -2.03 0.04 -0.11 -3.56 7.94 -1.26 -2.64 117.00 115.38 1v86 n LEU 35 Ca 0.08 0.16 0.14 0.00 -1.11 0.00 0.00 56.01 55.29 1v86 n LEU 35 Cb 0.53 -0.18 0.66 0.00 0.53 0.00 0.00 43.42 44.97 1v86 n LEU 35 CO 0.47 0.01 0.92 0.47 -1.11 0.00 0.00 177.39 178.15 1v86 n ASP 36 N -1.15 0.41 -4.76 1.96 9.92 -1.26 -2.78 116.55 118.88 1v86 n ASP 36 Ca 0.18 -0.61 -0.41 0.00 -0.53 0.00 0.00 54.79 53.42 1v86 n ASP 36 Cb 0.20 -0.09 -0.03 0.00 -0.64 0.00 0.00 41.12 40.56 1v86 n ASP 36 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1v86 s SER 37 N -2.41 6.94 0.43 -2.24 0.01 -1.08 -4.92 113.70 110.42 1v86 s SER 37 Ca 0.31 2.50 -0.21 0.00 1.31 0.00 0.00 55.95 59.86 1v86 s SER 37 Cb 0.20 -2.63 -0.10 0.00 0.21 0.00 0.00 66.02 63.70 1v86 s SER 37 CO 0.45 -0.43 0.98 0.42 0.41 0.00 0.00 173.24 175.07 1v86 s THR 38 N -0.80 4.18 0.56 1.44 -4.23 -1.26 -1.84 115.64 113.69 1v86 s THR 38 Ca 0.50 1.42 0.37 0.00 -1.18 0.00 0.00 61.69 62.80 1v86 s THR 38 Cb -0.37 -3.61 0.55 0.00 1.34 0.00 0.00 72.50 70.42 1v86 s THR 38 CO 0.46 -0.23 1.69 1.23 -0.54 0.00 0.00 174.62 177.23 1v86 h GLY 39 N 1.98 0.00 0.37 3.99 0.00 -1.42 0.49 103.07 108.48 1v86 h GLY 39 Ca -0.49 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.71 1v86 h GLY 39 CO 0.61 0.00 -0.64 0.23 0.00 0.00 0.00 176.54 176.74 1v86 h SER 40 N 0.00 0.25 -1.54 0.19 0.87 -1.83 -3.30 113.55 108.19 1v86 h SER 40 Ca 0.59 -0.92 0.50 0.00 -1.23 0.00 0.00 61.79 60.74 1v86 h SER 40 Cb 2.56 -0.08 -0.12 0.00 -0.44 0.00 0.00 62.40 64.32 1v86 h SER 40 CO -0.01 1.29 1.03 -0.62 -0.53 0.00 0.00 176.83 177.99 1v86 n GLU 41 N -4.30 -0.03 -0.27 2.24 1.02 0.17 0.16 120.64 119.64 1v86 n GLU 41 Ca -0.16 1.21 0.08 0.00 -0.02 0.00 0.00 57.16 58.28 1v86 n GLU 41 Cb 0.70 -2.48 0.22 0.00 -0.02 0.00 0.00 31.44 29.86 1v86 n GLU 41 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1v86 h LEU 42 N 0.00 -0.08 -0.11 -4.62 3.38 -1.58 0.32 115.31 112.62 1v86 h LEU 42 Ca 0.90 0.18 0.01 0.00 0.09 0.00 0.00 57.88 59.06 1v86 h LEU 42 Cb 3.09 0.26 -0.02 0.00 0.09 0.00 0.00 40.66 44.08 1v86 h LEU 42 CO -0.35 -0.12 -0.16 0.11 0.09 0.00 0.00 178.44 178.01 1v86 h LYS 43 N 0.21 -0.12 -0.04 1.13 1.79 0.14 1.64 116.57 121.31 1v86 h LYS 43 Ca 0.47 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.96 1v86 h LYS 43 Cb 0.87 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.55 1v86 h LYS 43 CO -0.61 -0.08 0.08 1.96 -1.08 0.00 0.00 179.45 179.73 1v86 h GLN 44 N -0.13 0.00 -0.00 3.15 1.08 -1.37 1.56 115.11 119.40 1v86 h GLN 44 Ca 0.02 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.03 1v86 h GLN 44 Cb 0.18 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 1v86 h GLN 44 CO -0.17 0.00 -0.86 -0.22 -0.95 0.00 0.00 178.83 176.64 1v86 h LYS 45 N 0.00 0.17 0.05 1.46 1.63 0.38 -1.80 116.57 118.46 1v86 h LYS 45 Ca 0.02 -0.19 -0.29 0.00 -0.85 0.00 0.00 60.65 59.35 1v86 h LYS 45 Cb 0.19 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.84 1v86 h LYS 45 CO -0.00 0.93 -1.56 -0.89 -3.45 0.00 0.00 179.45 174.48 1v86 n ILE 46 N -3.66 1.63 -0.15 2.00 5.41 0.51 -4.07 119.36 121.04 1v86 n ILE 46 Ca -0.03 -0.27 0.11 0.00 1.00 0.00 0.00 62.75 63.56 1v86 n ILE 46 Cb 0.79 -1.93 0.44 0.00 -0.71 0.00 0.00 39.64 38.24 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 -0.60 0.59 0.00 1.39 -0.00 0.19 1.64 115.15 118.37 1v86 h HIS 47 Ca -0.38 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.00 1v86 h HIS 47 Cb 1.59 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 28.81 1v86 h HIS 47 CO 0.09 0.27 0.00 0.77 -0.00 0.00 0.00 177.93 179.06 1v86 h SER 48 N 0.55 0.00 0.00 3.26 0.02 -1.47 0.60 113.55 116.51 1v86 h SER 48 Ca 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1v86 h SER 48 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1v86 h SER 48 CO -0.11 0.00 -0.33 -0.38 -1.14 0.00 0.00 176.83 174.87 1v86 n ILE 49 N -2.73 1.30 -0.12 3.27 5.41 0.19 -4.66 119.36 122.02 1v86 n ILE 49 Ca -0.02 0.32 0.16 0.00 1.00 0.00 0.00 62.75 64.21 1v86 n ILE 49 Cb 0.07 -1.83 0.55 0.00 -0.71 0.00 0.00 39.64 37.72 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 -0.33 0.80 0.00 1.39 1.35 0.20 -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 0.33 0.45 0.00 0.00 -1.73 0.00 0.00 68.15 67.19 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 -1.55 0.44 3.96 5.82 0.00 0.21 -4.96 105.19 109.11 1v86 n GLY 51 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 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 3.44 0.46 0.99 2.34 -1.26 -4.74 118.68 119.91 1v86 s LEU 52 Ca 0.00 0.13 -0.21 0.00 0.06 0.00 0.00 54.13 54.10 1v86 s LEU 52 Cb 0.00 -3.01 -0.09 0.00 -0.56 0.00 0.00 46.19 42.54 1v86 s LEU 52 CO 0.00 -0.95 1.04 -2.16 -1.06 0.00 0.00 176.35 173.23 1v86 s PRO 53 N -4.67 3.90 0.20 1.48 0.04 -1.26 -4.61 135.00 130.08 1v86 s PRO 53 Ca 0.53 1.41 0.05 0.00 0.04 0.00 0.00 61.00 63.03 1v86 s PRO 53 Cb -0.10 -2.22 0.09 0.00 0.04 0.00 0.00 34.50 32.31 1v86 s PRO 53 CO 0.38 -0.35 1.45 -1.00 0.04 0.00 0.00 177.00 177.52 1v86 h PRO 54 N 1.83 0.13 -0.34 0.56 0.13 -1.95 -3.03 132.00 129.33 1v86 h PRO 54 Ca -0.49 -0.13 0.06 0.00 -0.87 0.00 0.00 66.00 64.57 1v86 h PRO 54 Cb 1.22 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 1v86 h PRO 54 CO 0.60 0.85 0.23 0.00 -0.23 0.00 0.00 178.00 179.45 1v86 h ALA 55 N 1.11 2.09 -0.77 -0.56 0.00 -2.02 0.83 119.26 119.94 1v86 h ALA 55 Ca -0.02 -0.01 -0.42 0.00 0.00 0.00 0.00 54.91 54.45 1v86 h ALA 55 Cb 1.38 -0.03 -0.24 0.00 0.00 0.00 0.00 17.79 18.89 1v86 h ALA 55 CO 0.11 -0.16 0.38 -1.33 0.00 0.00 0.00 179.25 178.25 1v86 n MET 56 N -4.47 2.19 -4.22 0.00 2.81 -1.15 -4.96 117.12 107.31 1v86 n MET 56 Ca 0.04 -3.14 -0.29 0.00 -1.81 0.00 0.00 57.70 52.51 1v86 n MET 56 Cb 0.28 -2.07 -0.09 0.00 -0.71 0.00 0.00 33.22 30.63 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 -3.34 2.21 -0.46 0.03 -0.21 0.29 -4.25 119.66 113.92 1v86 s GLN 57 Ca 0.53 -1.06 0.03 0.00 0.02 0.00 0.00 55.36 54.89 1v86 s GLN 57 Cb 0.46 -2.32 0.13 0.00 1.00 0.00 0.00 33.01 32.27 1v86 s GLN 57 CO 0.06 0.49 0.22 0.15 -2.12 0.00 0.00 175.29 174.09 1v86 s LYS 58 N -2.45 1.65 -0.64 2.91 -0.14 -1.26 -4.89 119.74 114.92 1v86 s LYS 58 Ca 0.24 -2.28 -0.26 0.00 -1.36 0.00 0.00 55.97 52.31 1v86 s LYS 58 Cb -0.10 -2.96 0.04 0.00 -1.68 0.00 0.00 37.83 33.13 1v86 s LYS 58 CO 0.15 -1.10 1.13 0.08 -0.76 0.00 0.00 175.35 174.86 1v86 s VAL 59 N 0.14 4.04 -0.17 3.17 1.01 -1.26 -4.09 120.40 123.25 1v86 s VAL 59 Ca 0.16 0.41 -0.06 0.00 0.00 0.00 0.00 61.98 62.48 1v86 s VAL 59 Cb -0.24 -4.75 0.08 0.00 0.00 0.00 0.00 36.38 31.47 1v86 s VAL 59 CO -0.02 -1.49 0.36 -0.04 0.00 0.00 0.00 175.10 173.91 1v86 s MET 60 N 4.87 0.26 -0.28 2.72 1.00 -1.25 -4.15 119.30 122.46 1v86 s MET 60 Ca 0.34 0.91 0.01 0.00 0.00 0.00 0.00 55.69 56.95 1v86 s MET 60 Cb -0.10 0.17 0.08 0.00 0.00 0.00 0.00 34.83 34.98 1v86 s MET 60 CO 0.18 -0.26 0.03 -0.47 0.00 0.00 0.00 175.02 174.50 1v86 s TYR 61 N 2.44 2.38 -0.44 -0.03 5.04 -1.26 -3.44 117.35 122.02 1v86 s TYR 61 Ca -0.01 -1.97 0.00 0.00 -2.44 0.00 0.00 57.07 52.65 1v86 s TYR 61 Cb -0.12 -1.89 0.00 0.00 0.35 0.00 0.00 41.96 40.31 1v86 s TYR 61 CO -0.11 -0.84 0.00 1.63 -1.34 0.00 0.00 175.55 174.89 1v86 n LYS 62 N 4.66 -2.24 0.00 4.97 5.02 -1.26 -4.63 118.16 124.68 1v86 n LYS 62 Ca -0.05 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 1v86 n LYS 62 Cb 0.43 -4.66 0.00 0.00 -0.02 0.00 0.00 35.03 30.78 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 -0.47 3.39 3.77 0.72 0.00 -1.26 -5.11 105.19 106.23 1v86 n GLY 63 Ca -0.05 -1.27 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 1v86 n GLY 63 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1v86 s LEU 64 N 0.00 4.25 -0.33 0.99 2.01 -1.26 -4.66 118.68 119.68 1v86 s LEU 64 Ca 0.00 3.02 -0.07 0.00 0.01 0.00 0.00 54.13 57.09 1v86 s LEU 64 Cb 0.00 -3.76 0.03 0.00 0.01 0.00 0.00 46.19 42.47 1v86 s LEU 64 CO 0.00 -0.98 0.10 -0.69 1.01 0.00 0.00 176.35 175.79 1v86 s VAL 65 N -1.15 3.88 -0.49 -1.59 1.01 -1.26 -4.87 120.40 115.94 1v86 s VAL 65 Ca 0.56 -0.99 -0.28 0.00 0.00 0.00 0.00 61.98 61.26 1v86 s VAL 65 Cb -0.46 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 32.79 1v86 s VAL 65 CO 0.61 -0.11 1.46 -2.16 0.00 0.00 0.00 175.10 174.90 1v86 s PRO 66 N 1.44 3.38 0.66 2.72 0.04 -1.26 -4.85 135.00 137.13 1v86 s PRO 66 Ca -0.00 0.71 0.43 0.00 0.04 0.00 0.00 61.00 62.18 1v86 s PRO 66 Cb -0.19 -4.10 2.36 0.00 0.04 0.00 0.00 34.50 32.61 1v86 s PRO 66 CO 0.03 -1.82 2.35 0.93 0.04 0.00 0.00 177.00 178.53 1v86 h GLU 67 N 11.22 0.00 0.00 4.56 5.08 -1.97 0.45 114.58 133.92 1v86 h GLU 67 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1v86 h GLU 67 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1v86 h GLU 67 CO 1.13 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 178.89 1v86 n ASP 68 N -3.16 0.62 -4.28 1.42 8.00 -1.26 -3.87 116.55 114.02 1v86 n ASP 68 Ca -0.03 0.61 -0.27 0.00 0.71 0.00 0.00 54.79 55.82 1v86 n ASP 68 Cb 0.08 -0.76 -0.14 0.00 -0.02 0.00 0.00 41.12 40.28 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 -3.20 1.46 0.73 -1.24 -0.14 0.16 -4.97 119.74 112.54 1v86 s LYS 69 Ca 0.07 -1.03 -0.11 0.00 -1.36 0.00 0.00 55.97 53.54 1v86 s LYS 69 Cb 0.11 -1.63 0.03 0.00 -1.68 0.00 0.00 37.83 34.66 1v86 s LYS 69 CO 0.46 0.41 1.08 0.95 -0.76 0.00 0.00 175.35 177.49 1v86 s THR 70 N -0.85 3.56 0.15 2.17 -4.23 -1.26 -1.65 115.64 113.53 1v86 s THR 70 Ca 0.09 0.51 -0.26 0.00 -1.18 0.00 0.00 61.69 60.85 1v86 s THR 70 Cb -0.09 -3.37 -0.00 0.00 1.34 0.00 0.00 72.50 70.37 1v86 s THR 70 CO 0.02 -0.66 1.60 -0.07 -0.54 0.00 0.00 174.62 174.96 1v86 h LEU 71 N -0.78 -1.15 -2.24 4.79 3.38 -1.54 1.80 115.31 119.57 1v86 h LEU 71 Ca -0.45 0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1v86 h LEU 71 Cb 1.24 0.50 0.00 0.00 0.09 0.00 0.00 40.66 42.49 1v86 h LEU 71 CO 0.61 -0.36 0.24 -0.09 0.09 0.00 0.00 178.44 178.92 1v86 h ARG 72 N -0.36 0.00 0.02 1.13 2.43 -1.77 0.29 114.38 116.12 1v86 h ARG 72 Ca 0.12 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.95 1v86 h ARG 72 Cb 0.57 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.06 1v86 h ARG 72 CO -0.45 0.00 -2.07 0.39 -1.51 0.00 0.00 179.97 176.33 1v86 n GLU 73 N -2.92 0.67 0.00 0.20 1.02 0.31 -3.91 120.64 116.01 1v86 n GLU 73 Ca -0.02 0.18 0.15 0.00 -0.02 0.00 0.00 57.16 57.44 1v86 n GLU 73 Cb 0.29 -1.66 0.87 0.00 -0.02 0.00 0.00 31.44 30.92 1v86 n GLU 73 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1v86 n ILE 74 N -3.07 0.00 -1.64 -3.67 -6.64 0.53 -4.89 119.36 99.99 1v86 n ILE 74 Ca -0.28 0.00 -0.00 0.00 -1.77 0.00 0.00 62.75 60.69 1v86 n ILE 74 Cb 1.08 -0.52 0.00 0.00 -1.44 0.00 0.00 39.64 38.75 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 -0.99 -0.18 -4.38 6.28 5.02 0.06 -5.03 118.16 118.94 1v86 n LYS 75 Ca 0.22 0.63 -0.27 0.00 -2.02 0.00 0.00 58.31 56.87 1v86 n LYS 75 Cb 0.10 -1.91 -0.11 0.00 -0.02 0.00 0.00 35.03 33.09 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 -2.02 2.66 0.12 -0.18 1.01 -0.82 -4.99 120.40 116.19 1v86 s VAL 76 Ca 0.01 -1.92 0.02 0.00 0.00 0.00 0.00 61.98 60.10 1v86 s VAL 76 Cb -0.00 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 1v86 s VAL 76 CO 0.07 -0.13 0.12 0.35 0.00 0.00 0.00 175.10 175.51 1v86 n THR 77 N 0.13 0.00 -2.77 3.92 -2.24 -1.26 -4.78 114.28 107.28 1v86 n THR 77 Ca -0.11 -0.87 -0.43 0.00 -2.27 0.00 0.00 64.05 60.37 1v86 n THR 77 Cb 0.56 0.45 -0.04 0.00 -2.10 0.00 0.00 70.33 69.20 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 -1.86 6.37 0.00 3.42 0.15 -1.26 -3.39 113.70 117.13 1v86 s SER 78 Ca 0.14 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1v86 s SER 78 Cb 0.01 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 1v86 s SER 78 CO 0.10 -1.29 0.00 0.61 1.20 0.00 0.00 173.24 173.86 1v86 n GLY 79 N 5.10 1.87 3.65 9.45 0.00 0.49 -4.86 105.19 120.89 1v86 n GLY 79 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 3.65 0.64 4.61 0.00 -1.21 -4.86 121.76 122.59 1v86 s ALA 80 Ca 0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 51.96 51.74 1v86 s ALA 80 Cb 0.00 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 1v86 s ALA 80 CO 0.00 -0.98 1.10 0.15 0.00 0.00 0.00 175.76 176.03 1v86 s LYS 81 N 2.95 2.92 -0.22 0.00 3.01 -1.26 -3.03 119.74 124.12 1v86 s LYS 81 Ca 0.37 1.37 -0.04 0.00 -1.01 0.00 0.00 55.97 56.67 1v86 s LYS 81 Cb -0.15 -1.97 0.07 0.00 -1.01 0.00 0.00 37.83 34.77 1v86 s LYS 81 CO 0.07 -1.15 0.08 0.42 0.51 0.00 0.00 175.35 175.28 1v86 s ILE 82 N -2.33 0.23 0.08 2.17 -1.09 -0.41 -4.69 121.20 115.17 1v86 s ILE 82 Ca 0.67 -0.57 -0.27 0.00 -2.23 0.00 0.00 60.65 58.25 1v86 s ILE 82 Cb -0.20 -0.94 -0.06 0.00 -1.58 0.00 0.00 42.46 39.68 1v86 s ILE 82 CO 0.40 -0.40 0.84 -0.32 -1.23 0.00 0.00 174.94 174.23 1v86 s MET 83 N 1.98 4.58 0.14 2.79 1.75 -1.22 0.11 119.30 129.43 1v86 s MET 83 Ca 0.03 1.22 0.06 0.00 -1.25 0.00 0.00 55.69 55.76 1v86 s MET 83 Cb -0.17 -3.36 -0.04 0.00 2.84 0.00 0.00 34.83 34.11 1v86 s MET 83 CO -0.17 0.28 -0.15 0.08 -0.65 0.00 0.00 175.02 174.42 1v86 s VAL 84 N -0.13 1.46 0.37 10.11 1.01 -0.55 -3.95 120.40 128.73 1v86 s VAL 84 Ca 0.41 -1.84 0.08 0.00 0.00 0.00 0.00 61.98 60.63 1v86 s VAL 84 Cb -0.22 -1.68 -0.06 0.00 0.00 0.00 0.00 36.38 34.42 1v86 s VAL 84 CO 0.26 -0.44 0.07 0.54 0.00 0.00 0.00 175.10 175.53 1v86 s VAL 85 N -2.32 2.48 0.00 2.92 0.11 -1.26 -4.29 120.40 118.04 1v86 s VAL 85 Ca 0.12 -1.87 0.00 0.00 -2.93 0.00 0.00 61.98 57.30 1v86 s VAL 85 Cb -0.04 -2.89 0.00 0.00 -1.53 0.00 0.00 36.38 31.92 1v86 s VAL 85 CO 0.04 -0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.31 1v86 n GLY 86 N -1.06 -0.79 2.68 6.54 0.00 -1.26 -4.66 105.19 106.64 1v86 n GLY 86 Ca -0.03 -2.24 -0.05 0.00 0.00 0.00 0.00 46.02 43.69 1v86 n GLY 86 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1v86 n SER 87 N 0.00 -1.54 -3.01 1.61 2.88 -1.26 -4.84 113.62 107.45 1v86 n SER 87 Ca 0.00 -2.11 -0.01 0.00 -1.33 0.00 0.00 58.87 55.42 1v86 n SER 87 Cb 0.00 1.04 -0.01 0.00 -0.75 0.00 0.00 64.21 64.50 1v86 n SER 87 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1v86 n THR 88 N 1.19 -4.85 -0.05 2.46 -1.04 -1.26 -4.95 114.28 105.79 1v86 n THR 88 Ca 0.01 0.88 -0.05 0.00 -2.04 0.00 0.00 64.05 62.85 1v86 n THR 88 Cb 0.71 -4.01 -0.07 0.00 -1.82 0.00 0.00 70.33 65.14 1v86 n THR 88 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1v86 n ILE 89 N 1.55 0.63 -3.74 12.58 0.13 -1.26 -5.07 119.36 124.19 1v86 n ILE 89 Ca -0.05 -0.38 -0.09 0.00 -1.10 0.00 0.00 62.75 61.13 1v86 n ILE 89 Cb 0.30 -0.76 -0.03 0.00 -0.84 0.00 0.00 39.64 38.31 1v86 n ILE 89 CO 0.00 0.00 0.00 -0.55 2.80 0.00 0.00 176.55 178.80 1v86 s SER 90 N -4.17 -0.31 0.00 9.51 0.15 -1.26 -5.11 113.70 112.52 1v86 s SER 90 Ca -0.05 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.13 1v86 s SER 90 Cb 0.03 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 1v86 s SER 90 CO 0.37 -1.14 0.00 0.61 1.20 0.00 0.00 173.24 174.28 1v86 n GLY 91 N -0.39 -1.86 0.12 9.45 0.00 -1.26 -4.75 105.19 106.50 1v86 n GLY 91 Ca -0.09 0.85 -0.09 0.00 0.00 0.00 0.00 46.02 46.70 1v86 n GLY 91 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v86 h PRO 92 N 0.00 -0.18 -3.47 1.61 0.13 -1.99 -3.50 132.00 124.60 1v86 h PRO 92 Ca 0.00 0.01 0.03 0.00 -0.87 0.00 0.00 66.00 65.17 1v86 h PRO 92 Cb 0.00 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.16 1v86 h PRO 92 CO 0.00 0.21 -0.93 0.45 -0.23 0.00 0.00 178.00 177.50 1v86 n SER 93 N -4.88 -7.85 -4.37 1.44 2.88 -1.26 -4.93 113.62 94.64 1v86 n SER 93 Ca -0.07 1.72 -0.33 0.00 -1.33 0.00 0.00 58.87 58.87 1v86 n SER 93 Cb 0.24 -4.67 -0.14 0.00 -0.75 0.00 0.00 64.21 58.88 1v86 n SER 93 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1v86 s SER 94 N -5.40 3.83 0.00 -3.46 0.15 -1.26 -5.34 113.70 102.22 1v86 s SER 94 Ca 0.00 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.32 1v86 s SER 94 Cb 0.00 -1.31 0.00 0.00 -1.71 0.00 0.00 66.02 63.00 1v86 s SER 94 CO 0.00 0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.27