#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q86 h SER 2 N 0.00 0.00 -5.19 2.55 4.64 -2.04 -3.46 113.55 110.05 1q86 h SER 2 Ca 0.00 -0.13 -0.09 0.00 -0.47 0.00 0.00 61.79 61.10 1q86 h SER 2 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.96 1q86 h SER 2 CO 0.00 0.07 -0.33 -0.94 -0.87 0.00 0.00 176.83 174.76 1q86 s SER 3 N -4.47 0.06 -0.35 4.97 1.04 -1.26 -5.09 113.70 108.60 1q86 s SER 3 Ca 0.07 -0.70 0.10 0.00 0.48 0.00 0.00 55.95 55.90 1q86 s SER 3 Cb 0.12 0.39 0.45 0.00 0.10 0.00 0.00 66.02 67.08 1q86 s SER 3 CO 0.69 -0.80 1.11 -3.20 0.98 0.00 0.00 173.24 172.02 1q86 n ASN 4 N -0.13 3.82 -4.90 7.02 5.15 -1.26 -4.93 115.26 120.03 1q86 n ASN 4 Ca -0.12 -3.34 -0.28 0.00 -0.60 0.00 0.00 54.58 50.23 1q86 n ASN 4 Cb 0.63 -0.44 0.05 0.00 -0.53 0.00 0.00 39.78 39.49 1q86 n ASN 4 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1q86 s GLY 5 N -3.52 1.62 0.27 8.20 0.00 -1.26 -4.97 107.32 107.66 1q86 s GLY 5 Ca 0.43 -0.56 -0.03 0.00 0.00 0.00 0.00 44.72 44.56 1q86 s GLY 5 CO -0.06 -0.19 1.90 -2.55 0.00 0.00 0.00 173.10 172.20 1q86 h PRO 6 N -0.57 1.18 -0.17 2.90 0.11 -2.05 -2.25 132.00 131.15 1q86 h PRO 6 Ca -0.45 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1q86 h PRO 6 Cb 1.27 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1q86 h PRO 6 CO 0.63 0.78 0.00 1.28 -0.21 0.00 0.00 178.00 180.48 1q86 n LEU 7 N -4.46 0.90 -4.68 2.35 4.77 -1.26 -4.74 117.00 109.88 1q86 n LEU 7 Ca 0.14 -0.45 -0.42 0.00 -0.03 0.00 0.00 56.01 55.25 1q86 n LEU 7 Cb 0.13 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1q86 n LEU 7 CO 0.34 0.22 1.41 -0.70 -1.33 0.00 0.00 177.39 177.33 1q86 s GLU 8 N -1.77 4.17 -0.78 3.23 -6.30 -0.85 -2.12 118.70 114.28 1q86 s GLU 8 Ca 0.11 2.40 -0.00 0.00 -2.50 0.00 0.00 54.97 54.97 1q86 s GLU 8 Cb 0.06 -3.77 0.00 0.00 0.00 0.00 0.00 34.13 30.42 1q86 s GLU 8 CO 0.08 -0.81 0.04 0.41 0.02 0.00 0.00 175.26 175.00 1q86 n GLY 9 N 4.16 0.01 0.59 -1.50 0.00 -1.26 -4.92 105.19 102.27 1q86 n GLY 9 Ca 0.17 -0.48 0.08 0.00 0.00 0.00 0.00 46.02 45.79 1q86 n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1q86 n THR 10 N -3.98 2.16 -0.30 2.61 -2.24 -0.90 -4.67 114.28 106.96 1q86 n THR 10 Ca -0.10 -2.18 -0.05 0.00 -2.27 0.00 0.00 64.05 59.45 1q86 n THR 10 Cb 0.58 -0.26 0.07 0.00 -2.10 0.00 0.00 70.33 68.62 1q86 n THR 10 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1q86 h ARG 11 N 1.00 1.11 0.22 -0.78 2.43 -1.92 -2.29 114.38 114.16 1q86 h ARG 11 Ca 0.02 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 1q86 h ARG 11 Cb 1.28 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1q86 h ARG 11 CO 0.15 0.80 -0.11 0.78 -1.51 0.00 0.00 179.97 180.08 1q86 h GLY 12 N 1.12 -0.31 2.00 2.80 0.00 -1.94 -3.32 103.07 103.42 1q86 h GLY 12 Ca 0.29 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.72 1q86 h GLY 12 CO -0.05 -0.11 -0.05 0.07 0.00 0.00 0.00 176.54 176.39 1q86 h LYS 13 N -1.07 0.00 -0.61 4.80 2.10 -1.88 -2.90 116.57 117.02 1q86 h LYS 13 Ca -0.03 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.49 1q86 h LYS 13 Cb 0.28 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.53 1q86 h LYS 13 CO 0.05 0.05 0.14 1.28 -2.00 0.00 0.00 179.45 178.98 1q86 n LEU 14 N -4.22 5.58 -4.27 7.07 4.77 -0.86 -4.87 117.00 120.19 1q86 n LEU 14 Ca -0.03 -3.15 -0.26 0.00 -0.03 0.00 0.00 56.01 52.53 1q86 n LEU 14 Cb 0.14 -0.70 -0.14 0.00 -2.33 0.00 0.00 43.42 40.39 1q86 n LEU 14 CO 0.32 0.77 -0.53 -0.75 -1.33 0.00 0.00 177.39 175.87 1q86 s LYS 15 N -2.93 1.45 0.32 3.23 2.20 -1.10 -4.69 119.74 118.21 1q86 s LYS 15 Ca 0.53 -0.99 -0.04 0.00 -0.36 0.00 0.00 55.97 55.11 1q86 s LYS 15 Cb 0.42 -1.60 -0.05 0.00 -1.51 0.00 0.00 37.83 35.10 1q86 s LYS 15 CO 0.13 0.41 0.57 -0.80 -0.36 0.00 0.00 175.35 175.29 1q86 s ASN 16 N -1.25 6.40 0.40 1.43 0.02 -1.26 -4.93 114.94 115.75 1q86 s ASN 16 Ca 0.08 0.66 -0.24 0.00 -1.02 0.00 0.00 52.86 52.35 1q86 s ASN 16 Cb -0.09 -2.12 -0.09 0.00 0.02 0.00 0.00 41.25 38.96 1q86 s ASN 16 CO 0.02 -0.25 1.03 -0.54 0.02 0.00 0.00 177.10 177.38 1q86 s LYS 17 N -3.81 4.18 0.42 -0.60 3.01 -1.26 -4.91 119.74 116.76 1q86 s LYS 17 Ca 0.43 1.44 0.27 0.00 -1.01 0.00 0.00 55.97 57.10 1q86 s LYS 17 Cb -0.10 -2.49 1.38 0.00 -1.01 0.00 0.00 37.83 35.60 1q86 s LYS 17 CO 0.32 -0.12 1.62 -1.35 0.51 0.00 0.00 175.35 176.34 1q86 h PRO 18 N 2.42 0.09 0.00 -1.68 0.11 -1.99 -0.65 132.00 130.31 1q86 h PRO 18 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1q86 h PRO 18 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1q86 h PRO 18 CO 0.62 0.06 0.00 0.00 -0.21 0.00 0.00 178.00 178.47 1q86 h ARG 19 N 0.10 0.00 -0.38 1.05 3.08 -2.04 -2.89 114.38 113.30 1q86 h ARG 19 Ca 0.82 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.87 1q86 h ARG 19 Cb 2.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.48 1q86 h ARG 19 CO -0.50 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.15 1q86 n ASP 20 N -2.36 3.32 -4.72 7.04 8.00 -0.26 -4.96 116.55 122.61 1q86 n ASP 20 Ca 0.05 -1.97 -0.36 0.00 0.71 0.00 0.00 54.79 53.22 1q86 n ASP 20 Cb 0.41 -0.24 0.09 0.00 -0.02 0.00 0.00 41.12 41.36 1q86 n ASP 20 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1q86 s ARG 21 N -1.52 2.22 0.00 -1.24 3.52 -1.09 -4.87 118.95 115.97 1q86 s ARG 21 Ca 0.38 1.98 0.00 0.00 -0.13 0.00 0.00 55.73 57.96 1q86 s ARG 21 Cb 0.22 -1.82 0.00 0.00 -1.56 0.00 0.00 34.95 31.80 1q86 s ARG 21 CO 0.31 -1.83 0.00 0.41 -0.81 0.00 0.00 175.30 173.38 1q86 n GLY 22 N 0.79 -0.85 1.21 8.12 0.00 -1.26 -4.98 105.19 108.22 1q86 n GLY 22 Ca 0.15 -1.52 -0.19 0.00 0.00 0.00 0.00 46.02 44.46 1q86 n GLY 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1q86 n THR 23 N -0.27 0.31 -2.99 2.61 -1.04 -1.26 -4.90 114.28 106.74 1q86 n THR 23 Ca 0.00 -0.08 -0.30 0.00 -2.04 0.00 0.00 64.05 61.64 1q86 n THR 23 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 1q86 n THR 23 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1q86 s SER 24 N -0.16 6.48 0.23 8.00 0.01 -1.26 -5.03 113.70 121.98 1q86 s SER 24 Ca 0.28 0.99 -0.31 0.00 1.31 0.00 0.00 55.95 58.22 1q86 s SER 24 Cb -0.39 -2.26 -0.11 0.00 0.21 0.00 0.00 66.02 63.47 1q86 s SER 24 CO 0.20 -0.35 1.55 -2.84 0.41 0.00 0.00 173.24 172.21 1q86 s PRO 25 N -3.81 4.19 0.58 12.44 0.02 -1.26 -4.92 135.00 142.24 1q86 s PRO 25 Ca 0.49 2.43 0.37 0.00 0.02 0.00 0.00 61.00 64.32 1q86 s PRO 25 Cb -0.10 -3.09 1.78 0.00 0.02 0.00 0.00 34.50 33.11 1q86 s PRO 25 CO 0.32 -0.57 2.12 -1.35 -0.33 0.00 0.00 177.00 177.19 1q86 h PRO 26 N 5.66 0.00 -0.18 5.54 0.11 -1.99 -3.30 132.00 137.84 1q86 h PRO 26 Ca -0.45 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.71 1q86 h PRO 26 Cb 1.21 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 1q86 h PRO 26 CO 0.84 0.00 -0.24 0.37 -0.21 0.00 0.00 178.00 178.76 1q86 h GLN 27 N 0.00 -0.27 0.00 1.05 5.75 -1.99 -2.33 115.11 117.31 1q86 h GLN 27 Ca 0.00 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 1q86 h GLN 27 Cb 0.28 0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.89 1q86 h GLN 27 CO 0.00 -0.18 0.00 0.07 -2.65 0.00 0.00 178.83 176.07 1q86 h ARG 28 N -0.28 0.00 0.00 1.69 0.11 -1.97 -2.77 114.38 111.16 1q86 h ARG 28 Ca 0.12 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.20 1q86 h ARG 28 Cb 0.46 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.54 1q86 h ARG 28 CO -0.34 0.00 0.00 0.00 0.10 0.00 0.00 179.97 179.73 1q86 n ALA 29 N -2.03 2.20 0.07 0.08 0.00 -0.90 -3.14 120.51 116.78 1q86 n ALA 29 Ca 0.03 -0.10 0.01 0.00 0.00 0.00 0.00 53.44 53.38 1q86 n ALA 29 Cb 0.43 -1.41 0.01 0.00 0.00 0.00 0.00 19.45 18.47 1q86 n ALA 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1q86 n VAL 30 N -1.42 0.00 -1.52 0.00 0.31 -1.05 -4.26 118.33 110.39 1q86 n VAL 30 Ca 0.08 -0.50 -0.40 0.00 -0.01 0.00 0.00 64.34 63.52 1q86 n VAL 30 Cb 0.26 1.03 0.03 0.00 -0.91 0.00 0.00 33.84 34.25 1q86 n VAL 30 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1q86 n GLU 31 N 0.08 0.78 -4.78 5.55 4.07 -1.12 -4.98 120.64 120.24 1q86 n GLU 31 Ca 0.01 0.29 -0.33 0.00 -0.06 0.00 0.00 57.16 57.07 1q86 n GLU 31 Cb 0.04 -1.81 -0.14 0.00 -0.06 0.00 0.00 31.44 29.48 1q86 n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1q86 s GLU 32 N -2.05 3.23 0.30 5.31 0.41 -1.26 -4.84 118.70 119.79 1q86 s GLU 32 Ca 0.67 -0.68 0.10 0.00 -0.41 0.00 0.00 54.97 54.65 1q86 s GLU 32 Cb -0.51 -2.60 -0.05 0.00 -1.78 0.00 0.00 34.13 29.20 1q86 s GLU 32 CO 0.55 0.30 -0.04 -0.06 -0.49 0.00 0.00 175.26 175.52 1q86 s PHE 33 N 0.12 2.55 0.07 1.61 0.40 -1.26 -5.14 117.98 116.34 1q86 s PHE 33 Ca -0.06 -0.32 0.09 0.00 -0.60 0.00 0.00 56.93 56.04 1q86 s PHE 33 Cb -0.15 -1.26 -0.03 0.00 0.51 0.00 0.00 43.02 42.09 1q86 s PHE 33 CO 0.05 0.59 -0.24 -0.51 0.70 0.00 0.00 175.22 175.80 1q86 s ASP 34 N -3.66 3.37 0.21 1.36 1.01 -1.26 -5.07 116.67 112.64 1q86 s ASP 34 Ca 0.32 -0.60 -0.31 0.00 0.71 0.00 0.00 52.55 52.67 1q86 s ASP 34 Cb -0.04 -0.35 -0.15 0.00 1.01 0.00 0.00 42.92 43.39 1q86 s ASP 34 CO 0.19 0.23 1.18 0.47 0.21 0.00 0.00 175.17 177.45 1q86 n ASP 35 N 1.44 1.59 0.00 0.27 8.00 -1.26 -0.87 116.55 125.73 1q86 n ASP 35 Ca -0.17 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.48 1q86 n ASP 35 Cb 0.52 -1.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.35 1q86 n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q86 n GLY 36 N 1.88 3.45 3.75 0.44 0.00 0.15 -4.98 105.19 109.88 1q86 n GLY 36 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1q86 n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q86 s GLU 37 N -0.93 4.44 0.05 1.61 2.02 -0.05 -4.73 118.70 121.12 1q86 s GLU 37 Ca 0.00 2.01 -0.25 0.00 0.02 0.00 0.00 54.97 56.75 1q86 s GLU 37 Cb 0.00 -3.18 -0.06 0.00 0.10 0.00 0.00 34.13 30.99 1q86 s GLU 37 CO 0.00 -0.14 0.78 0.15 0.02 0.00 0.00 175.26 176.06 1q86 s LYS 38 N -0.61 4.51 0.01 1.61 -0.14 -1.26 -1.26 119.74 122.59 1q86 s LYS 38 Ca 0.53 1.09 0.01 0.00 -1.36 0.00 0.00 55.97 56.23 1q86 s LYS 38 Cb -0.36 -3.36 -0.01 0.00 -1.68 0.00 0.00 37.83 32.42 1q86 s LYS 38 CO 0.41 0.29 -0.03 0.14 -0.76 0.00 0.00 175.35 175.40 1q86 s VAL 39 N -0.09 0.20 -0.05 3.17 -7.23 -0.82 -1.59 120.40 114.00 1q86 s VAL 39 Ca 0.39 -0.45 -0.18 0.00 -1.81 0.00 0.00 61.98 59.93 1q86 s VAL 39 Cb -0.21 -0.24 -0.05 0.00 0.56 0.00 0.00 36.38 36.44 1q86 s VAL 39 CO 0.23 -0.16 0.48 -1.00 -0.31 0.00 0.00 175.10 174.34 1q86 s HIS 40 N -0.62 3.63 -0.22 2.82 3.76 0.38 -0.69 115.29 124.36 1q86 s HIS 40 Ca -0.05 1.01 -0.16 0.00 -0.15 0.00 0.00 55.06 55.71 1q86 s HIS 40 Cb -0.05 -2.47 -0.04 0.00 1.11 0.00 0.00 32.58 31.13 1q86 s HIS 40 CO -0.00 0.39 0.39 -0.51 -0.85 0.00 0.00 174.74 174.15 1q86 s LEU 41 N -0.20 4.13 -0.27 0.89 1.02 0.58 -2.38 118.68 122.44 1q86 s LEU 41 Ca 0.26 0.46 -0.01 0.00 0.02 0.00 0.00 54.13 54.87 1q86 s LEU 41 Cb -0.16 -2.49 0.15 0.00 0.02 0.00 0.00 46.19 43.71 1q86 s LEU 41 CO 0.13 -0.10 0.44 -0.75 0.02 0.00 0.00 176.35 176.09 1q86 s LYS 42 N 1.49 0.42 0.44 1.70 2.47 -0.89 -0.45 119.74 124.92 1q86 s LYS 42 Ca 0.18 0.53 -0.26 0.00 -1.56 0.00 0.00 55.97 54.86 1q86 s LYS 42 Cb -0.15 -0.20 -0.09 0.00 -1.46 0.00 0.00 37.83 35.94 1q86 s LYS 42 CO 0.08 -0.76 1.45 0.42 0.16 0.00 0.00 175.35 176.70 1q86 s ILE 43 N 2.62 2.03 -0.33 5.43 1.01 -1.26 -4.49 121.20 126.21 1q86 s ILE 43 Ca 0.13 0.03 -0.14 0.00 0.00 0.00 0.00 60.65 60.67 1q86 s ILE 43 Cb -0.14 -3.02 -0.02 0.00 0.01 0.00 0.00 42.46 39.29 1q86 s ILE 43 CO -0.21 0.00 0.29 -0.62 0.00 0.00 0.00 174.94 174.40 1q86 s ASP 44 N -0.42 6.11 0.53 3.58 -1.08 -1.26 -4.96 116.67 119.17 1q86 s ASP 44 Ca 0.60 -0.25 0.31 0.00 -0.52 0.00 0.00 52.55 52.68 1q86 s ASP 44 Cb -0.45 -2.16 1.46 0.00 -1.46 0.00 0.00 42.92 40.31 1q86 s ASP 44 CO 0.58 -0.24 1.87 -0.65 0.52 0.00 0.00 175.17 177.25 1q86 h PRO 45 N 8.45 0.04 0.00 4.34 0.11 -1.90 -0.68 132.00 142.35 1q86 h PRO 45 Ca -0.31 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1q86 h PRO 45 Cb 1.16 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1q86 h PRO 45 CO 0.64 0.02 -0.36 0.77 -0.21 0.00 0.00 178.00 178.86 1q86 h SER 46 N 0.04 0.00 -3.39 -2.05 0.02 -1.92 -3.43 113.55 102.82 1q86 h SER 46 Ca 0.46 -0.12 -0.72 0.00 -0.84 0.00 0.00 61.79 60.56 1q86 h SER 46 Cb 1.77 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 64.05 1q86 h SER 46 CO -0.03 0.06 -0.42 -0.69 -1.14 0.00 0.00 176.83 174.62 1q86 s VAL 47 N -3.14 4.50 0.16 2.27 1.01 -0.26 -4.76 120.40 120.17 1q86 s VAL 47 Ca 0.08 -1.36 -0.14 0.00 0.00 0.00 0.00 61.98 60.56 1q86 s VAL 47 Cb 0.13 -3.76 0.04 0.00 0.00 0.00 0.00 36.38 32.79 1q86 s VAL 47 CO 0.67 -0.56 1.74 -0.65 0.00 0.00 0.00 175.10 176.30 1q86 h PRO 48 N 8.51 0.73 -7.06 2.72 0.11 -1.83 -3.43 132.00 131.74 1q86 h PRO 48 Ca -0.24 -0.10 -0.45 0.00 0.11 0.00 0.00 66.00 65.31 1q86 h PRO 48 Cb 1.09 -0.13 0.07 0.00 0.11 0.00 0.00 31.00 32.14 1q86 h PRO 48 CO 0.81 0.60 0.09 -0.80 -0.21 0.00 0.00 178.00 178.48 1q86 s ASN 49 N -5.88 4.79 0.00 -2.05 0.01 -1.26 -4.40 114.94 106.15 1q86 s ASN 49 Ca -0.13 -0.02 0.00 0.00 -0.71 0.00 0.00 52.86 52.00 1q86 s ASN 49 Cb 0.12 -0.62 0.00 0.00 0.41 0.00 0.00 41.25 41.16 1q86 s ASN 49 CO 0.76 -1.54 0.00 0.61 -1.51 0.00 0.00 177.10 175.42 1q86 n GLY 50 N -2.68 0.24 3.64 0.66 0.00 -1.26 -4.89 105.19 100.89 1q86 n GLY 50 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1q86 n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q86 s ARG 51 N -1.09 -0.65 0.18 1.61 0.52 -1.26 -2.14 118.95 116.12 1q86 s ARG 51 Ca 0.00 0.06 0.00 0.00 -0.52 0.00 0.00 55.73 55.27 1q86 s ARG 51 Cb 0.00 -1.65 -0.04 0.00 0.52 0.00 0.00 34.95 33.77 1q86 s ARG 51 CO 0.00 -3.35 0.06 -0.59 0.02 0.00 0.00 175.30 171.43 1q86 s PHE 52 N -3.06 1.13 0.03 -0.53 -0.12 -1.26 -4.71 117.98 109.46 1q86 s PHE 52 Ca 0.69 -1.18 -0.30 0.00 -0.05 0.00 0.00 56.93 56.09 1q86 s PHE 52 Cb -0.12 -0.63 -0.09 0.00 -0.63 0.00 0.00 43.02 41.55 1q86 s PHE 52 CO 0.56 -0.41 1.98 1.58 -0.05 0.00 0.00 175.22 178.88 1q86 n HIS 53 N -0.23 2.51 -0.54 3.49 -0.00 -1.26 -4.81 115.22 114.38 1q86 n HIS 53 Ca -0.04 -0.37 0.43 0.00 -0.00 0.00 0.00 57.72 57.75 1q86 n HIS 53 Cb 0.64 -2.80 0.71 0.00 -0.00 0.00 0.00 29.99 28.54 1q86 n HIS 53 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1q86 n PRO 54 N 7.54 -0.02 -0.19 1.57 -0.02 -1.26 -0.75 135.00 141.86 1q86 n PRO 54 Ca 0.20 1.17 0.30 0.00 -2.02 0.00 0.00 63.50 63.16 1q86 n PRO 54 Cb 0.41 -2.42 0.72 0.00 -0.02 0.00 0.00 33.50 32.18 1q86 n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q86 h ARG 55 N 0.00 0.00 -0.01 -0.52 3.08 -1.89 0.18 114.38 115.22 1q86 h ARG 55 Ca 0.88 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.93 1q86 h ARG 55 Cb 3.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 33.12 1q86 h ARG 55 CO -0.31 0.00 -0.08 1.19 -1.07 0.00 0.00 179.97 179.70 1q86 n PHE 56 N -3.99 0.00 -1.66 3.04 3.72 0.07 -4.91 117.46 113.73 1q86 n PHE 56 Ca 0.20 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 57.14 1q86 n PHE 56 Cb 1.09 -0.05 -0.04 0.00 -0.94 0.00 0.00 39.48 39.54 1q86 n PHE 56 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1q86 n ASP 57 N -0.21 2.67 0.00 4.37 9.92 0.05 -1.45 116.55 131.89 1q86 n ASP 57 Ca 0.17 1.12 0.00 0.00 -0.53 0.00 0.00 54.79 55.55 1q86 n ASP 57 Cb 0.33 -1.39 0.00 0.00 -0.64 0.00 0.00 41.12 39.42 1q86 n ASP 57 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1q86 n GLY 58 N 2.64 0.84 3.80 0.44 0.00 0.41 -5.02 105.19 108.30 1q86 n GLY 58 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1q86 n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1q86 s GLN 59 N -0.95 3.58 -0.31 1.61 -1.52 -0.53 -4.79 119.66 116.75 1q86 s GLN 59 Ca 0.00 1.24 0.03 0.00 -1.95 0.00 0.00 55.36 54.69 1q86 s GLN 59 Cb 0.00 -2.07 0.09 0.00 -0.22 0.00 0.00 33.01 30.81 1q86 s GLN 59 CO 0.00 -0.60 0.01 0.99 -0.25 0.00 0.00 175.29 175.44 1q86 s THR 60 N -2.27 2.13 0.00 -0.19 2.01 -1.26 -0.31 115.64 115.75 1q86 s THR 60 Ca 0.65 -2.07 0.00 0.00 0.31 0.00 0.00 61.69 60.58 1q86 s THR 60 Cb -0.15 -2.49 0.00 0.00 0.01 0.00 0.00 72.50 69.87 1q86 s THR 60 CO 0.29 -0.45 0.00 0.61 -0.69 0.00 0.00 174.62 174.39 1q86 n GLY 61 N 4.35 1.30 2.85 4.40 0.00 0.13 -4.83 105.19 113.39 1q86 n GLY 61 Ca -0.01 -2.01 -0.29 0.00 0.00 0.00 0.00 46.02 43.71 1q86 n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q86 s THR 62 N 0.82 1.03 0.25 2.61 2.01 -0.38 -1.95 115.64 120.02 1q86 s THR 62 Ca 0.00 -0.79 -0.31 0.00 0.31 0.00 0.00 61.69 60.90 1q86 s THR 62 Cb 0.00 -1.35 -0.13 0.00 0.01 0.00 0.00 72.50 71.03 1q86 s THR 62 CO 0.00 -0.07 1.48 0.52 -0.69 0.00 0.00 174.62 175.86 1q86 n VAL 63 N 4.87 0.89 -3.24 3.82 0.31 -0.39 -2.09 118.33 122.50 1q86 n VAL 63 Ca -0.11 -0.22 -0.21 0.00 -0.01 0.00 0.00 64.34 63.79 1q86 n VAL 63 Cb 0.46 -1.63 -0.07 0.00 -0.91 0.00 0.00 33.84 31.69 1q86 n VAL 63 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1q86 s GLU 64 N -0.32 0.91 0.03 5.55 0.41 -0.43 0.31 118.70 125.16 1q86 s GLU 64 Ca 0.68 -1.76 0.00 0.00 -0.41 0.00 0.00 54.97 53.47 1q86 s GLU 64 Cb -0.60 -1.05 0.00 0.00 -1.78 0.00 0.00 34.13 30.70 1q86 s GLU 64 CO 0.48 -1.36 0.00 0.41 -0.49 0.00 0.00 175.26 174.30 1q86 n GLY 65 N 2.99 -1.61 3.25 -1.39 0.00 -1.26 -4.59 105.19 102.58 1q86 n GLY 65 Ca 0.25 -1.49 -0.13 0.00 0.00 0.00 0.00 46.02 44.65 1q86 n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q86 s LYS 66 N -1.52 1.31 -0.24 1.61 -2.85 -1.26 -1.70 119.74 115.09 1q86 s LYS 66 Ca 0.00 -1.66 -0.02 0.00 -1.00 0.00 0.00 55.97 53.29 1q86 s LYS 66 Cb 0.00 0.30 0.08 0.00 -2.06 0.00 0.00 37.83 36.14 1q86 s LYS 66 CO 0.00 -0.45 0.06 -1.14 0.10 0.00 0.00 175.35 173.92 1q86 s GLN 67 N -4.03 0.63 4.17 1.78 0.74 0.81 -4.84 119.66 118.91 1q86 s GLN 67 Ca 0.38 -0.64 0.00 0.00 0.05 0.00 0.00 55.36 55.15 1q86 s GLN 67 Cb 0.06 -1.97 0.00 0.00 1.10 0.00 0.00 33.01 32.20 1q86 s GLN 67 CO 0.14 -0.79 0.00 0.41 -0.55 0.00 0.00 175.29 174.50 1q86 n GLY 68 N 5.01 0.95 0.17 2.59 0.00 -1.26 -2.24 105.19 110.41 1q86 n GLY 68 Ca -0.07 -0.75 0.06 0.00 0.00 0.00 0.00 46.02 45.26 1q86 n GLY 68 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1q86 h ASP 69 N 8.95 0.00 -4.17 1.61 3.32 -2.00 -3.45 116.42 120.68 1q86 h ASP 69 Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 1q86 h ASP 69 Cb 0.00 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.65 1q86 h ASP 69 CO 0.00 0.35 0.39 0.00 -1.72 0.00 0.00 179.24 178.26 1q86 s ALA 70 N -3.16 2.48 0.28 3.45 0.00 -0.95 -4.80 121.76 119.06 1q86 s ALA 70 Ca 0.04 0.64 0.06 0.00 0.00 0.00 0.00 51.96 52.69 1q86 s ALA 70 Cb 0.08 -3.34 -0.02 0.00 0.00 0.00 0.00 23.12 19.83 1q86 s ALA 70 CO 0.71 -1.23 0.41 0.71 0.00 0.00 0.00 175.76 176.35 1q86 s TYR 71 N -2.18 3.30 -0.33 0.00 1.51 0.19 -0.13 117.35 119.70 1q86 s TYR 71 Ca 0.69 -0.11 -0.01 0.00 -1.01 0.00 0.00 57.07 56.63 1q86 s TYR 71 Cb -0.22 -1.75 0.07 0.00 -0.11 0.00 0.00 41.96 39.95 1q86 s TYR 71 CO 0.39 0.25 0.04 0.15 -1.11 0.00 0.00 175.55 175.27 1q86 s LYS 72 N -4.06 2.24 -0.21 -0.62 1.02 -0.69 -1.06 119.74 116.36 1q86 s LYS 72 Ca 0.39 -1.45 -0.07 0.00 0.02 0.00 0.00 55.97 54.86 1q86 s LYS 72 Cb -0.09 -3.26 -0.03 0.00 -0.52 0.00 0.00 37.83 33.93 1q86 s LYS 72 CO 0.30 -0.75 0.05 0.08 -0.92 0.00 0.00 175.35 174.11 1q86 s VAL 73 N 1.19 4.44 0.06 3.17 1.01 0.73 -1.32 120.40 129.68 1q86 s VAL 73 Ca -0.01 -0.14 -0.26 0.00 0.00 0.00 0.00 61.98 61.57 1q86 s VAL 73 Cb -0.20 -3.03 -0.06 0.00 0.00 0.00 0.00 36.38 33.09 1q86 s VAL 73 CO -0.03 0.40 0.81 -1.81 0.00 0.00 0.00 175.10 174.48 1q86 s ASP 74 N 0.98 7.27 0.22 3.32 1.01 -0.89 0.08 116.67 128.66 1q86 s ASP 74 Ca 0.03 1.52 -0.01 0.00 0.71 0.00 0.00 52.55 54.81 1q86 s ASP 74 Cb -0.14 -2.49 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 1q86 s ASP 74 CO 0.03 -0.00 0.16 0.27 0.21 0.00 0.00 175.17 175.84 1q86 s ILE 75 N -0.05 0.00 -0.19 0.77 -4.36 0.26 -1.24 121.20 116.39 1q86 s ILE 75 Ca 0.40 -1.97 0.01 0.00 -0.26 0.00 0.00 60.65 58.83 1q86 s ILE 75 Cb -0.21 -2.49 0.04 0.00 1.25 0.00 0.00 42.46 41.05 1q86 s ILE 75 CO 0.24 0.00 -0.12 -0.69 0.24 0.00 0.00 174.94 174.61 1q86 s VAL 76 N -4.07 1.72 -0.51 8.37 1.01 -1.26 -0.65 120.40 125.01 1q86 s VAL 76 Ca 0.38 -0.96 -0.21 0.00 0.00 0.00 0.00 61.98 61.19 1q86 s VAL 76 Cb 0.06 -1.72 0.05 0.00 0.00 0.00 0.00 36.38 34.76 1q86 s VAL 76 CO 0.14 0.26 0.76 -0.62 0.00 0.00 0.00 175.10 175.64 1q86 s ASP 77 N 1.38 6.29 0.96 3.32 -1.08 0.54 -4.79 116.67 123.29 1q86 s ASP 77 Ca 0.00 -0.60 0.00 0.00 -0.52 0.00 0.00 52.55 51.44 1q86 s ASP 77 Cb -0.15 -2.35 0.00 0.00 -1.46 0.00 0.00 42.92 38.95 1q86 s ASP 77 CO -0.09 -1.01 0.00 0.61 0.52 0.00 0.00 175.17 175.20 1q86 n GLY 78 N 5.13 0.89 0.05 2.66 0.00 -1.26 0.30 105.19 112.95 1q86 n GLY 78 Ca -0.02 0.41 0.01 0.00 0.00 0.00 0.00 46.02 46.42 1q86 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q86 n GLY 79 N 0.00 -1.13 3.80 -0.02 0.00 -1.26 -5.01 105.19 101.57 1q86 n GLY 79 Ca 0.00 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1q86 n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1q86 s LYS 80 N -0.22 3.90 0.16 1.61 2.20 0.15 -5.07 119.74 122.47 1q86 s LYS 80 Ca 0.02 -0.03 -0.30 0.00 -0.36 0.00 0.00 55.97 55.29 1q86 s LYS 80 Cb 0.01 -3.31 -0.07 0.00 -1.51 0.00 0.00 37.83 32.95 1q86 s LYS 80 CO 0.02 0.51 1.01 -2.00 -0.36 0.00 0.00 175.35 174.53 1q86 s GLU 81 N -0.30 4.68 0.00 4.03 2.12 -1.26 0.20 118.70 128.18 1q86 s GLU 81 Ca 0.15 1.57 -0.10 0.00 0.36 0.00 0.00 54.97 56.95 1q86 s GLU 81 Cb -0.13 -3.32 0.01 0.00 0.26 0.00 0.00 34.13 30.95 1q86 s GLU 81 CO 0.03 0.21 0.19 0.15 -0.54 0.00 0.00 175.26 175.30 1q86 s LYS 82 N -0.36 0.55 -0.20 4.30 1.02 0.18 -4.86 119.74 120.38 1q86 s LYS 82 Ca 0.47 -0.36 -0.04 0.00 0.02 0.00 0.00 55.97 56.05 1q86 s LYS 82 Cb -0.26 0.23 -0.02 0.00 -0.52 0.00 0.00 37.83 37.26 1q86 s LYS 82 CO 0.32 -0.14 -0.02 0.99 -0.92 0.00 0.00 175.35 175.58 1q86 s THR 83 N -1.46 3.73 -0.18 2.17 2.01 -1.26 -0.57 115.64 120.08 1q86 s THR 83 Ca -0.14 -0.39 -0.04 0.00 0.31 0.00 0.00 61.69 61.44 1q86 s THR 83 Cb -0.07 -2.68 -0.02 0.00 0.01 0.00 0.00 72.50 69.74 1q86 s THR 83 CO 0.02 0.44 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.71 1q86 s ILE 84 N 1.06 3.64 -0.43 1.82 1.01 0.11 -4.91 121.20 123.50 1q86 s ILE 84 Ca 0.01 -0.43 -0.24 0.00 0.00 0.00 0.00 60.65 60.00 1q86 s ILE 84 Cb -0.14 -2.62 0.02 0.00 0.01 0.00 0.00 42.46 39.73 1q86 s ILE 84 CO 0.01 0.46 0.84 -0.63 0.00 0.00 0.00 174.94 175.62 1q86 s ILE 85 N 0.88 4.60 0.00 2.92 -1.09 -1.26 -0.19 121.20 127.06 1q86 s ILE 85 Ca -0.01 0.67 -0.07 0.00 -2.23 0.00 0.00 60.65 59.02 1q86 s ILE 85 Cb -0.15 -4.34 0.00 0.00 -1.58 0.00 0.00 42.46 36.40 1q86 s ILE 85 CO 0.01 -0.69 0.12 0.54 -1.23 0.00 0.00 174.94 173.70 1q86 s VAL 86 N 3.42 0.08 0.41 2.92 0.11 -0.22 -4.63 120.40 122.50 1q86 s VAL 86 Ca 0.33 -0.67 -0.01 0.00 -2.93 0.00 0.00 61.98 58.70 1q86 s VAL 86 Cb -0.12 -0.41 -0.02 0.00 -1.53 0.00 0.00 36.38 34.31 1q86 s VAL 86 CO 0.23 -0.37 0.64 0.42 -3.33 0.00 0.00 175.10 172.68 1q86 s THR 87 N -1.31 4.61 0.25 5.04 -4.23 -0.91 0.53 115.64 119.62 1q86 s THR 87 Ca -0.14 -0.37 -0.03 0.00 -1.18 0.00 0.00 61.69 59.97 1q86 s THR 87 Cb -0.07 -3.70 0.22 0.00 1.34 0.00 0.00 72.50 70.28 1q86 s THR 87 CO 0.01 -0.51 1.79 0.00 -0.54 0.00 0.00 174.62 175.38 1q86 h ALA 88 N 0.52 1.21 -1.73 3.99 0.00 -1.84 -2.21 119.26 119.19 1q86 h ALA 88 Ca -0.48 0.05 0.53 0.00 0.00 0.00 0.00 54.91 55.01 1q86 h ALA 88 Cb 1.23 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.83 1q86 h ALA 88 CO 0.60 0.04 1.21 0.00 0.00 0.00 0.00 179.25 181.09 1q86 n ALA 89 N -2.39 1.67 -1.21 0.00 0.00 -1.23 0.14 120.51 117.49 1q86 n ALA 89 Ca 0.15 0.70 -0.01 0.00 0.00 0.00 0.00 53.44 54.28 1q86 n ALA 89 Cb 0.33 -1.08 0.23 0.00 0.00 0.00 0.00 19.45 18.93 1q86 n ALA 89 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1q86 n HIS 90 N -4.11 1.34 -4.23 0.00 -0.00 -0.83 -4.61 115.22 102.78 1q86 n HIS 90 Ca 0.42 -1.29 -0.15 0.00 -0.00 0.00 0.00 57.72 56.70 1q86 n HIS 90 Cb 1.81 -0.48 -0.10 0.00 -0.00 0.00 0.00 29.99 31.22 1q86 n HIS 90 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1q86 s LEU 91 N -3.06 2.48 -0.10 2.41 1.43 0.37 -2.10 118.68 120.11 1q86 s LEU 91 Ca 0.46 -0.92 -0.09 0.00 -1.03 0.00 0.00 54.13 52.55 1q86 s LEU 91 Cb 0.39 -0.39 0.03 0.00 0.03 0.00 0.00 46.19 46.24 1q86 s LEU 91 CO 0.06 -0.27 0.26 -0.13 0.23 0.00 0.00 176.35 176.49 1q86 s ARG 92 N -3.29 0.29 0.31 1.70 1.81 -1.00 -4.96 118.95 113.81 1q86 s ARG 92 Ca 0.13 0.37 -0.29 0.00 -1.72 0.00 0.00 55.73 54.21 1q86 s ARG 92 Cb -0.00 0.13 -0.10 0.00 -0.45 0.00 0.00 34.95 34.52 1q86 s ARG 92 CO 0.01 -0.04 1.30 1.03 -0.68 0.00 0.00 175.30 176.92 1q86 s ARG 93 N 0.21 4.37 0.37 3.54 0.52 -1.26 -0.47 118.95 126.23 1q86 s ARG 93 Ca -0.01 2.18 -0.25 0.00 -0.52 0.00 0.00 55.73 57.14 1q86 s ARG 93 Cb -0.02 -3.09 -0.10 0.00 0.52 0.00 0.00 34.95 32.26 1q86 s ARG 93 CO -0.00 -0.19 0.99 -1.14 0.02 0.00 0.00 175.30 174.98 1q86 s GLN 94 N -1.52 4.38 0.00 3.54 0.74 -0.62 -4.80 119.66 121.38 1q86 s GLN 94 Ca 0.50 1.37 0.00 0.00 0.05 0.00 0.00 55.36 57.28 1q86 s GLN 94 Cb -0.39 -2.62 0.00 0.00 1.10 0.00 0.00 33.01 31.10 1q86 s GLN 94 CO 0.50 0.08 0.00 0.39 -0.55 0.00 0.00 175.29 175.71