#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q82 h SER 2 N 0.00 0.00 -5.42 2.55 4.64 -2.04 -3.47 113.55 109.82 1q82 h SER 2 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 1q82 h SER 2 Cb 0.00 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 61.94 1q82 h SER 2 CO 0.00 0.10 -0.65 -0.94 -0.87 0.00 0.00 176.83 174.48 1q82 s SER 3 N -5.74 0.32 -0.30 4.97 1.04 -1.26 -5.10 113.70 107.63 1q82 s SER 3 Ca 0.02 -1.20 0.11 0.00 0.48 0.00 0.00 55.95 55.37 1q82 s SER 3 Cb 0.08 0.29 0.47 0.00 0.10 0.00 0.00 66.02 66.96 1q82 s SER 3 CO 0.75 -0.72 1.15 -3.20 0.98 0.00 0.00 173.24 172.20 1q82 n ASN 4 N -0.08 3.89 -4.91 7.02 5.15 -1.26 -4.94 115.26 120.13 1q82 n ASN 4 Ca -0.06 -3.26 -0.27 0.00 -0.60 0.00 0.00 54.58 50.39 1q82 n ASN 4 Cb 0.64 -0.40 0.07 0.00 -0.53 0.00 0.00 39.78 39.56 1q82 n ASN 4 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1q82 s GLY 5 N -3.63 1.64 0.50 8.20 0.00 -1.26 -4.97 107.32 107.79 1q82 s GLY 5 Ca 0.44 -0.74 0.20 0.00 0.00 0.00 0.00 44.72 44.61 1q82 s GLY 5 CO -0.00 -0.33 2.07 -2.55 0.00 0.00 0.00 173.10 172.29 1q82 h PRO 6 N -0.69 0.00 -0.59 2.90 0.11 -2.05 -2.74 132.00 128.93 1q82 h PRO 6 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1q82 h PRO 6 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1q82 h PRO 6 CO 0.62 0.12 0.00 1.28 -0.21 0.00 0.00 178.00 179.81 1q82 n LEU 7 N -4.12 3.43 -4.73 2.35 4.77 -1.26 -4.65 117.00 112.79 1q82 n LEU 7 Ca -0.02 -1.73 -0.42 0.00 -0.03 0.00 0.00 56.01 53.81 1q82 n LEU 7 Cb 0.20 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 1q82 n LEU 7 CO 0.33 0.67 1.15 -0.70 -1.33 0.00 0.00 177.39 177.51 1q82 s GLU 8 N -1.60 4.25 -1.41 3.23 -6.30 -1.04 -2.73 118.70 113.11 1q82 s GLU 8 Ca 0.38 2.29 -0.10 0.00 -2.50 0.00 0.00 54.97 55.03 1q82 s GLU 8 Cb 0.23 -3.15 0.03 0.00 0.00 0.00 0.00 34.13 31.23 1q82 s GLU 8 CO 0.21 -0.50 1.13 0.41 0.02 0.00 0.00 175.26 176.52 1q82 n GLY 9 N 3.12 -0.53 0.05 -1.50 0.00 -1.26 -4.89 105.19 100.18 1q82 n GLY 9 Ca 0.11 0.24 0.01 0.00 0.00 0.00 0.00 46.02 46.37 1q82 n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1q82 n THR 10 N -4.91 1.04 -0.14 2.61 -2.24 -1.10 -4.77 114.28 104.76 1q82 n THR 10 Ca 0.01 -1.05 -0.06 0.00 -2.27 0.00 0.00 64.05 60.69 1q82 n THR 10 Cb 0.55 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 1q82 n THR 10 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1q82 h ARG 11 N 0.16 -0.17 0.06 -0.78 2.43 -1.90 -1.96 114.38 112.21 1q82 h ARG 11 Ca 0.00 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1q82 h ARG 11 Cb 0.54 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1q82 h ARG 11 CO 0.00 -0.12 -0.03 0.78 -1.51 0.00 0.00 179.97 179.10 1q82 h GLY 12 N -0.18 -0.08 0.96 2.80 0.00 -1.94 -3.24 103.07 101.39 1q82 h GLY 12 Ca 0.20 0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.63 1q82 h GLY 12 CO -0.56 -0.03 0.46 0.07 0.00 0.00 0.00 176.54 176.48 1q82 h LYS 13 N -0.09 0.00 -0.38 4.80 2.10 -1.90 -1.38 116.57 119.72 1q82 h LYS 13 Ca -0.01 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.47 1q82 h LYS 13 Cb 0.06 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 31.28 1q82 h LYS 13 CO 0.01 0.00 -0.01 1.28 -2.00 0.00 0.00 179.45 178.73 1q82 n LEU 14 N -3.23 4.28 -4.22 7.07 4.77 -0.74 -4.85 117.00 120.08 1q82 n LEU 14 Ca 0.03 -3.63 -0.23 0.00 -0.03 0.00 0.00 56.01 52.15 1q82 n LEU 14 Cb 0.57 -0.64 -0.13 0.00 -2.33 0.00 0.00 43.42 40.89 1q82 n LEU 14 CO 0.19 1.14 -0.50 -0.75 -1.33 0.00 0.00 177.39 176.15 1q82 s LYS 15 N -3.18 1.12 0.15 3.23 2.20 -0.52 -4.75 119.74 117.98 1q82 s LYS 15 Ca 0.45 -0.96 -0.02 0.00 -0.36 0.00 0.00 55.97 55.08 1q82 s LYS 15 Cb 0.40 -1.24 -0.05 0.00 -1.51 0.00 0.00 37.83 35.44 1q82 s LYS 15 CO 0.02 0.30 0.35 -0.80 -0.36 0.00 0.00 175.35 174.86 1q82 s ASN 16 N -1.46 6.43 0.18 1.43 0.02 -1.26 -4.91 114.94 115.37 1q82 s ASN 16 Ca 0.04 0.46 -0.30 0.00 -1.02 0.00 0.00 52.86 52.04 1q82 s ASN 16 Cb -0.09 -2.03 -0.08 0.00 0.02 0.00 0.00 41.25 39.07 1q82 s ASN 16 CO 0.02 0.04 1.19 -0.54 0.02 0.00 0.00 177.10 177.83 1q82 s LYS 17 N -2.88 4.49 0.16 -0.60 3.01 -1.26 -4.87 119.74 117.80 1q82 s LYS 17 Ca 0.39 1.86 0.09 0.00 -1.01 0.00 0.00 55.97 57.29 1q82 s LYS 17 Cb -0.12 -3.25 0.58 0.00 -1.01 0.00 0.00 37.83 34.03 1q82 s LYS 17 CO 0.27 -0.09 0.70 -2.30 0.51 0.00 0.00 175.35 174.44 1q82 n PRO 18 N 2.60 -0.03 0.17 -1.68 -0.02 -1.26 0.18 135.00 134.96 1q82 n PRO 18 Ca 0.05 0.61 0.05 0.00 -2.02 0.00 0.00 63.50 62.19 1q82 n PRO 18 Cb 0.45 -1.09 0.15 0.00 -0.02 0.00 0.00 33.50 32.98 1q82 n PRO 18 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q82 h ARG 19 N 0.00 0.00 -0.24 -0.52 3.08 -2.05 -3.06 114.38 111.60 1q82 h ARG 19 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 1q82 h ARG 19 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.01 1q82 h ARG 19 CO -0.35 0.39 0.00 -0.25 -1.07 0.00 0.00 179.97 178.70 1q82 n ASP 20 N -3.27 1.74 -4.71 7.04 8.00 0.13 -4.92 116.55 120.55 1q82 n ASP 20 Ca 0.02 -1.82 -0.34 0.00 0.71 0.00 0.00 54.79 53.35 1q82 n ASP 20 Cb 0.64 -0.16 0.11 0.00 -0.02 0.00 0.00 41.12 41.69 1q82 n ASP 20 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1q82 s ARG 21 N -1.69 1.94 0.00 -1.24 3.00 -1.16 -4.88 118.95 114.93 1q82 s ARG 21 Ca 0.29 1.77 0.00 0.00 -1.00 0.00 0.00 55.73 56.79 1q82 s ARG 21 Cb 0.15 -1.81 0.00 0.00 0.00 0.00 0.00 34.95 33.29 1q82 s ARG 21 CO 0.22 -1.99 0.00 0.41 0.00 0.00 0.00 175.30 173.94 1q82 n GLY 22 N 0.44 -0.61 2.70 8.12 0.00 -1.26 -4.96 105.19 109.61 1q82 n GLY 22 Ca 0.14 -1.63 -0.46 0.00 0.00 0.00 0.00 46.02 44.06 1q82 n GLY 22 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1q82 n THR 23 N -0.34 0.00 -2.01 2.61 -1.04 -1.26 -4.88 114.28 107.37 1q82 n THR 23 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.72 1q82 n THR 23 Cb 0.00 -0.06 0.04 0.00 -1.82 0.00 0.00 70.33 68.49 1q82 n THR 23 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1q82 s SER 24 N 0.36 5.50 0.43 8.00 0.01 -1.26 -5.02 113.70 121.71 1q82 s SER 24 Ca 0.71 1.04 -0.26 0.00 1.31 0.00 0.00 55.95 58.75 1q82 s SER 24 Cb -0.99 -1.89 -0.08 0.00 0.21 0.00 0.00 66.02 63.26 1q82 s SER 24 CO 0.46 -1.26 1.35 -2.84 0.41 0.00 0.00 173.24 171.36 1q82 s PRO 25 N -5.27 3.84 0.45 12.44 0.02 -1.26 -4.94 135.00 140.28 1q82 s PRO 25 Ca 0.57 2.25 0.25 0.00 0.02 0.00 0.00 61.00 64.09 1q82 s PRO 25 Cb -0.11 -2.70 0.56 0.00 0.02 0.00 0.00 34.50 32.27 1q82 s PRO 25 CO 0.50 -0.64 1.69 -1.35 -0.33 0.00 0.00 177.00 176.88 1q82 h PRO 26 N 2.50 0.00 -0.47 5.54 0.11 -2.00 -3.36 132.00 134.32 1q82 h PRO 26 Ca -0.50 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.70 1q82 h PRO 26 Cb 1.25 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.27 1q82 h PRO 26 CO 0.62 0.00 -0.13 0.37 -0.21 0.00 0.00 178.00 178.65 1q82 h GLN 27 N 0.00 -0.01 0.00 1.05 5.75 -1.99 -1.65 115.11 118.25 1q82 h GLN 27 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1q82 h GLN 27 Cb 0.89 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.44 1q82 h GLN 27 CO 0.00 -0.01 0.00 2.89 -2.65 0.00 0.00 178.83 179.06 1q82 n ARG 28 N -5.36 0.12 0.06 1.69 1.85 -1.26 -2.38 116.66 111.39 1q82 n ARG 28 Ca 0.04 0.15 0.13 0.00 -1.00 0.00 0.00 57.85 57.16 1q82 n ARG 28 Cb 0.26 -1.66 0.34 0.00 -1.05 0.00 0.00 32.46 30.35 1q82 n ARG 28 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1q82 n ALA 29 N -1.64 2.67 0.49 2.89 0.00 -0.65 -3.24 120.51 121.03 1q82 n ALA 29 Ca 0.06 -0.16 0.05 0.00 0.00 0.00 0.00 53.44 53.39 1q82 n ALA 29 Cb 0.35 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 1q82 n ALA 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1q82 n VAL 30 N -1.99 0.00 -1.46 0.00 0.31 -1.00 -4.21 118.33 109.98 1q82 n VAL 30 Ca 0.05 -0.33 -0.43 0.00 -0.01 0.00 0.00 64.34 63.63 1q82 n VAL 30 Cb 0.41 1.07 0.00 0.00 -0.91 0.00 0.00 33.84 34.41 1q82 n VAL 30 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1q82 n GLU 31 N -0.69 0.59 -4.73 5.55 4.07 -1.04 -4.97 120.64 119.42 1q82 n GLU 31 Ca 0.03 0.21 -0.33 0.00 -0.06 0.00 0.00 57.16 57.02 1q82 n GLU 31 Cb 0.20 -1.48 -0.14 0.00 -0.06 0.00 0.00 31.44 29.97 1q82 n GLU 31 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1q82 s GLU 32 N -1.49 3.33 0.27 5.31 0.41 -1.26 -4.79 118.70 120.47 1q82 s GLU 32 Ca 0.62 -0.66 0.11 0.00 -0.41 0.00 0.00 54.97 54.64 1q82 s GLU 32 Cb -0.65 -2.65 -0.05 0.00 -1.78 0.00 0.00 34.13 29.01 1q82 s GLU 32 CO 0.58 0.27 -0.14 -0.06 -0.49 0.00 0.00 175.26 175.42 1q82 s PHE 33 N 0.22 2.43 0.18 1.61 0.40 -1.26 -5.14 117.98 116.42 1q82 s PHE 33 Ca -0.07 -0.29 0.07 0.00 -0.60 0.00 0.00 56.93 56.03 1q82 s PHE 33 Cb -0.15 -1.07 -0.04 0.00 0.51 0.00 0.00 43.02 42.27 1q82 s PHE 33 CO 0.05 0.67 0.03 -0.51 0.70 0.00 0.00 175.22 176.16 1q82 s ASP 34 N -3.50 4.93 0.16 1.36 1.01 -1.26 -5.05 116.67 114.32 1q82 s ASP 34 Ca 0.30 -0.35 -0.32 0.00 0.71 0.00 0.00 52.55 52.89 1q82 s ASP 34 Cb -0.06 -1.10 -0.12 0.00 1.01 0.00 0.00 42.92 42.65 1q82 s ASP 34 CO 0.16 0.08 1.77 0.47 0.21 0.00 0.00 175.17 177.86 1q82 n ASP 35 N -0.25 3.97 0.00 0.27 9.92 -1.26 -1.59 116.55 127.61 1q82 n ASP 35 Ca -0.09 1.03 0.00 0.00 -0.53 0.00 0.00 54.79 55.20 1q82 n ASP 35 Cb 0.55 -1.55 0.00 0.00 -0.64 0.00 0.00 41.12 39.48 1q82 n ASP 35 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1q82 n GLY 36 N 4.07 1.98 3.74 0.44 0.00 0.34 -4.98 105.19 110.78 1q82 n GLY 36 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1q82 n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q82 s GLU 37 N -0.13 2.55 -0.18 1.61 2.02 -0.62 -4.60 118.70 119.35 1q82 s GLU 37 Ca 0.00 1.89 -0.13 0.00 0.02 0.00 0.00 54.97 56.75 1q82 s GLU 37 Cb 0.00 -1.87 -0.05 0.00 0.10 0.00 0.00 34.13 32.31 1q82 s GLU 37 CO 0.00 -1.55 0.26 0.15 0.02 0.00 0.00 175.26 174.14 1q82 s LYS 38 N -3.54 4.22 0.00 1.61 -0.14 -1.26 -0.89 119.74 119.75 1q82 s LYS 38 Ca 0.78 0.01 0.02 0.00 -1.36 0.00 0.00 55.97 55.42 1q82 s LYS 38 Cb -0.32 -3.45 -0.01 0.00 -1.68 0.00 0.00 37.83 32.37 1q82 s LYS 38 CO 0.39 0.21 -0.08 0.14 -0.76 0.00 0.00 175.35 175.25 1q82 s VAL 39 N 0.58 0.61 -0.07 3.17 -7.23 -0.65 -1.60 120.40 115.22 1q82 s VAL 39 Ca 0.14 -0.46 -0.20 0.00 -1.81 0.00 0.00 61.98 59.66 1q82 s VAL 39 Cb -0.13 -0.54 -0.04 0.00 0.56 0.00 0.00 36.38 36.23 1q82 s VAL 39 CO 0.03 0.09 0.55 -1.00 -0.31 0.00 0.00 175.10 174.45 1q82 s HIS 40 N -0.37 3.58 -0.24 2.82 3.76 0.50 -1.58 115.29 123.75 1q82 s HIS 40 Ca 0.01 1.05 -0.16 0.00 -0.15 0.00 0.00 55.06 55.80 1q82 s HIS 40 Cb -0.04 -2.60 -0.03 0.00 1.11 0.00 0.00 32.58 31.01 1q82 s HIS 40 CO -0.00 0.22 0.43 -0.51 -0.85 0.00 0.00 174.74 174.03 1q82 s LEU 41 N 0.37 4.08 -0.24 0.89 1.02 -0.47 -1.85 118.68 122.49 1q82 s LEU 41 Ca 0.29 0.45 -0.05 0.00 0.02 0.00 0.00 54.13 54.85 1q82 s LEU 41 Cb -0.16 -2.54 0.12 0.00 0.02 0.00 0.00 46.19 43.63 1q82 s LEU 41 CO 0.14 -0.18 0.46 -0.75 0.02 0.00 0.00 176.35 176.03 1q82 s LYS 42 N 1.88 0.40 0.35 1.70 2.47 -0.45 -0.45 119.74 125.64 1q82 s LYS 42 Ca 0.19 0.91 -0.28 0.00 -1.56 0.00 0.00 55.97 55.22 1q82 s LYS 42 Cb -0.15 0.15 -0.11 0.00 -1.46 0.00 0.00 37.83 36.26 1q82 s LYS 42 CO 0.09 -0.43 1.44 0.42 0.16 0.00 0.00 175.35 177.02 1q82 s ILE 43 N 2.66 2.27 -0.36 5.43 1.01 -1.26 -4.48 121.20 126.48 1q82 s ILE 43 Ca 0.06 0.27 -0.17 0.00 0.00 0.00 0.00 60.65 60.81 1q82 s ILE 43 Cb -0.14 -3.17 -0.00 0.00 0.01 0.00 0.00 42.46 39.16 1q82 s ILE 43 CO -0.16 0.06 0.46 -0.62 0.00 0.00 0.00 174.94 174.69 1q82 s ASP 44 N -0.20 6.26 0.54 3.58 -1.08 -1.26 -4.93 116.67 119.58 1q82 s ASP 44 Ca 0.52 -0.16 0.31 0.00 -0.52 0.00 0.00 52.55 52.71 1q82 s ASP 44 Cb -0.44 -2.24 1.48 0.00 -1.46 0.00 0.00 42.92 40.25 1q82 s ASP 44 CO 0.59 -0.45 1.89 -0.65 0.52 0.00 0.00 175.17 177.06 1q82 h PRO 45 N 8.50 0.00 0.00 4.34 0.11 -1.88 -0.28 132.00 142.78 1q82 h PRO 45 Ca -0.28 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.77 1q82 h PRO 45 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1q82 h PRO 45 CO 0.75 0.00 -0.25 0.77 -0.21 0.00 0.00 178.00 179.06 1q82 h SER 46 N 0.00 0.00 -3.46 -2.05 0.02 -1.91 -3.43 113.55 102.71 1q82 h SER 46 Ca 0.41 0.00 -0.72 0.00 -0.84 0.00 0.00 61.79 60.64 1q82 h SER 46 Cb 1.68 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.99 1q82 h SER 46 CO -0.00 0.25 -0.44 -0.69 -1.14 0.00 0.00 176.83 174.81 1q82 s VAL 47 N -3.29 4.86 0.09 2.27 1.01 -0.12 -4.78 120.40 120.44 1q82 s VAL 47 Ca 0.03 -0.96 -0.26 0.00 0.00 0.00 0.00 61.98 60.79 1q82 s VAL 47 Cb 0.08 -3.81 -0.13 0.00 0.00 0.00 0.00 36.38 32.52 1q82 s VAL 47 CO 0.68 -0.40 1.68 -0.65 0.00 0.00 0.00 175.10 176.41 1q82 h PRO 48 N 8.57 -0.33 -7.72 2.72 0.11 -1.83 -3.43 132.00 130.09 1q82 h PRO 48 Ca -0.26 0.02 -0.45 0.00 0.11 0.00 0.00 66.00 65.42 1q82 h PRO 48 Cb 1.11 0.08 0.15 0.00 0.11 0.00 0.00 31.00 32.44 1q82 h PRO 48 CO 0.76 -0.22 0.37 -0.80 -0.21 0.00 0.00 178.00 177.90 1q82 s ASN 49 N -4.90 3.26 -0.24 -2.05 0.01 -1.26 -4.35 114.94 105.41 1q82 s ASN 49 Ca -0.15 0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.14 1q82 s ASN 49 Cb 0.06 -0.21 0.00 0.00 0.41 0.00 0.00 41.25 41.51 1q82 s ASN 49 CO 0.65 -2.62 0.00 0.61 -1.51 0.00 0.00 177.10 174.23 1q82 n GLY 50 N -3.63 0.21 3.73 0.66 0.00 -1.26 -4.90 105.19 100.01 1q82 n GLY 50 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1q82 n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q82 s ARG 51 N -2.18 1.04 0.31 1.61 0.52 -1.26 -2.58 118.95 116.42 1q82 s ARG 51 Ca 0.00 0.55 0.03 0.00 -0.52 0.00 0.00 55.73 55.79 1q82 s ARG 51 Cb 0.00 -1.81 -0.05 0.00 0.52 0.00 0.00 34.95 33.61 1q82 s ARG 51 CO 0.00 -2.32 0.09 -0.59 0.02 0.00 0.00 175.30 172.50 1q82 s PHE 52 N -3.06 1.77 -0.00 -0.53 -0.12 -1.26 -4.79 117.98 109.99 1q82 s PHE 52 Ca 0.64 -1.11 -0.30 0.00 -0.05 0.00 0.00 56.93 56.11 1q82 s PHE 52 Cb -0.17 -1.11 -0.07 0.00 -0.63 0.00 0.00 43.02 41.04 1q82 s PHE 52 CO 0.56 -0.18 1.79 -1.58 -0.05 0.00 0.00 175.22 175.75 1q82 s HIS 53 N -3.46 1.72 0.55 3.49 5.65 -1.26 -4.82 115.29 117.16 1q82 s HIS 53 Ca 0.35 -0.08 0.14 0.00 0.25 0.00 0.00 55.06 55.72 1q82 s HIS 53 Cb 0.07 -4.06 0.48 0.00 -1.18 0.00 0.00 32.58 27.89 1q82 s HIS 53 CO 0.15 -4.60 1.04 -2.30 -0.65 0.00 0.00 174.74 168.37 1q82 n PRO 54 N 7.17 0.02 0.28 2.88 -0.02 -1.26 0.04 135.00 144.10 1q82 n PRO 54 Ca 0.18 0.87 0.17 0.00 -2.02 0.00 0.00 63.50 62.70 1q82 n PRO 54 Cb 0.42 -2.25 0.77 0.00 -0.02 0.00 0.00 33.50 32.42 1q82 n PRO 54 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q82 h ARG 55 N 0.00 0.00 -0.01 -0.52 3.08 -1.89 -2.72 114.38 112.32 1q82 h ARG 55 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1q82 h ARG 55 Cb 2.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.31 1q82 h ARG 55 CO -0.00 0.05 -0.22 1.19 -1.07 0.00 0.00 179.97 179.92 1q82 n PHE 56 N -3.23 0.00 -1.62 3.04 3.72 0.11 -4.91 117.46 114.57 1q82 n PHE 56 Ca -0.01 0.00 -0.48 0.00 -0.05 0.00 0.00 57.45 56.92 1q82 n PHE 56 Cb 0.26 -0.06 -0.04 0.00 -0.94 0.00 0.00 39.48 38.71 1q82 n PHE 56 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1q82 n ASP 57 N -0.16 1.99 0.00 4.37 2.03 -1.03 -0.80 116.55 122.94 1q82 n ASP 57 Ca 0.13 1.13 0.00 0.00 0.52 0.00 0.00 54.79 56.58 1q82 n ASP 57 Cb 0.39 -1.30 0.00 0.00 -0.72 0.00 0.00 41.12 39.50 1q82 n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1q82 n GLY 58 N 2.26 3.42 3.71 0.27 0.00 0.40 -5.02 105.19 110.23 1q82 n GLY 58 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1q82 n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1q82 s GLN 59 N -0.84 1.55 -0.21 1.61 -1.52 0.02 -4.77 119.66 115.50 1q82 s GLN 59 Ca 0.00 1.45 -0.03 0.00 -1.95 0.00 0.00 55.36 54.83 1q82 s GLN 59 Cb 0.00 -1.80 0.07 0.00 -0.22 0.00 0.00 33.01 31.06 1q82 s GLN 59 CO 0.00 -2.22 0.05 0.99 -0.25 0.00 0.00 175.29 173.86 1q82 s THR 60 N -2.66 0.50 0.00 -0.19 2.01 -1.26 -1.37 115.64 112.67 1q82 s THR 60 Ca 0.66 -0.64 0.00 0.00 0.31 0.00 0.00 61.69 62.02 1q82 s THR 60 Cb -0.22 -1.07 0.00 0.00 0.01 0.00 0.00 72.50 71.22 1q82 s THR 60 CO 0.56 -0.29 0.00 0.61 -0.69 0.00 0.00 174.62 174.81 1q82 n GLY 61 N 5.05 5.66 3.02 4.40 0.00 -0.62 -4.88 105.19 117.82 1q82 n GLY 61 Ca -0.08 -2.04 -0.27 0.00 0.00 0.00 0.00 46.02 43.63 1q82 n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q82 s THR 62 N 1.25 1.27 -0.07 2.61 2.01 -0.77 -1.63 115.64 120.31 1q82 s THR 62 Ca 0.00 -0.51 -0.30 0.00 0.31 0.00 0.00 61.69 61.19 1q82 s THR 62 Cb 0.00 -1.18 -0.05 0.00 0.01 0.00 0.00 72.50 71.28 1q82 s THR 62 CO 0.00 0.39 1.58 -0.69 -0.69 0.00 0.00 174.62 175.22 1q82 s VAL 63 N 0.99 3.68 -0.52 3.82 1.01 -0.07 -0.97 120.40 128.34 1q82 s VAL 63 Ca -0.08 0.84 0.07 0.00 0.00 0.00 0.00 61.98 62.82 1q82 s VAL 63 Cb -0.15 -3.54 0.26 0.00 0.00 0.00 0.00 36.38 32.95 1q82 s VAL 63 CO -0.01 -0.07 0.68 -0.62 0.00 0.00 0.00 175.10 175.08 1q82 n GLU 64 N 6.94 1.81 0.00 2.72 -0.58 -0.16 0.13 120.64 131.49 1q82 n GLU 64 Ca 0.17 -4.07 0.00 0.00 -0.42 0.00 0.00 57.16 52.84 1q82 n GLU 64 Cb 0.43 -1.83 0.00 0.00 -0.57 0.00 0.00 31.44 29.47 1q82 n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1q82 n GLY 65 N 0.93 -0.32 3.26 0.62 0.00 -1.26 -4.75 105.19 103.68 1q82 n GLY 65 Ca 0.26 -1.82 -0.17 0.00 0.00 0.00 0.00 46.02 44.29 1q82 n GLY 65 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q82 s LYS 66 N -1.31 1.52 -0.30 1.61 -2.85 -1.26 -2.00 119.74 115.15 1q82 s LYS 66 Ca 0.00 -1.86 -0.03 0.00 -1.00 0.00 0.00 55.97 53.08 1q82 s LYS 66 Cb 0.00 0.24 0.11 0.00 -2.06 0.00 0.00 37.83 36.11 1q82 s LYS 66 CO 0.00 -0.52 0.15 -1.14 0.10 0.00 0.00 175.35 173.94 1q82 s GLN 67 N -3.77 0.26 4.20 1.78 0.74 0.35 -4.82 119.66 118.40 1q82 s GLN 67 Ca 0.39 -0.66 0.00 0.00 0.05 0.00 0.00 55.36 55.15 1q82 s GLN 67 Cb 0.05 -1.16 0.00 0.00 1.10 0.00 0.00 33.01 33.00 1q82 s GLN 67 CO 0.20 -1.06 0.00 0.41 -0.55 0.00 0.00 175.29 174.30 1q82 n GLY 68 N 5.03 0.61 0.14 2.59 0.00 -1.26 -2.79 105.19 109.51 1q82 n GLY 68 Ca -0.03 -0.88 0.03 0.00 0.00 0.00 0.00 46.02 45.15 1q82 n GLY 68 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1q82 h ASP 69 N 9.09 0.00 -4.20 1.61 3.32 -2.00 -3.46 116.42 120.78 1q82 h ASP 69 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 1q82 h ASP 69 Cb 0.00 0.00 0.13 0.00 0.22 0.00 0.00 39.33 39.68 1q82 h ASP 69 CO 0.00 0.45 0.37 0.00 -1.72 0.00 0.00 179.24 178.34 1q82 s ALA 70 N -2.99 2.23 0.18 3.45 0.00 -1.12 -4.77 121.76 118.74 1q82 s ALA 70 Ca 0.03 0.67 0.05 0.00 0.00 0.00 0.00 51.96 52.70 1q82 s ALA 70 Cb 0.08 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 1q82 s ALA 70 CO 0.75 -1.68 0.20 0.71 0.00 0.00 0.00 175.76 175.74 1q82 s TYR 71 N -2.26 3.24 -0.36 0.00 1.51 0.19 -0.50 117.35 119.17 1q82 s TYR 71 Ca 0.69 0.00 -0.07 0.00 -1.01 0.00 0.00 57.07 56.69 1q82 s TYR 71 Cb -0.24 -1.54 0.05 0.00 -0.11 0.00 0.00 41.96 40.13 1q82 s TYR 71 CO 0.45 0.51 0.15 0.15 -1.11 0.00 0.00 175.55 175.71 1q82 s LYS 72 N -3.30 2.57 -0.12 -0.62 1.02 -0.85 0.05 119.74 118.49 1q82 s LYS 72 Ca 0.32 -1.30 -0.01 0.00 0.02 0.00 0.00 55.97 55.00 1q82 s LYS 72 Cb -0.10 -3.55 -0.03 0.00 -0.52 0.00 0.00 37.83 33.63 1q82 s LYS 72 CO 0.25 -0.77 -0.06 0.08 -0.92 0.00 0.00 175.35 173.93 1q82 s VAL 73 N 1.39 3.69 -0.08 3.17 1.01 -0.41 -0.99 120.40 128.18 1q82 s VAL 73 Ca 0.00 -0.45 -0.16 0.00 0.00 0.00 0.00 61.98 61.37 1q82 s VAL 73 Cb -0.21 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 1q82 s VAL 73 CO 0.02 0.54 0.42 -1.81 0.00 0.00 0.00 175.10 174.27 1q82 s ASP 74 N -0.07 6.69 0.31 3.32 1.01 -0.14 0.63 116.67 128.43 1q82 s ASP 74 Ca 0.01 0.82 0.04 0.00 0.71 0.00 0.00 52.55 54.13 1q82 s ASP 74 Cb -0.13 -2.26 -0.03 0.00 1.01 0.00 0.00 42.92 41.51 1q82 s ASP 74 CO 0.03 0.14 0.19 0.27 0.21 0.00 0.00 175.17 176.01 1q82 s ILE 75 N -0.05 0.23 -0.34 0.77 -4.36 0.41 -1.85 121.20 116.00 1q82 s ILE 75 Ca 0.24 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.63 1q82 s ILE 75 Cb -0.15 -2.49 0.11 0.00 1.25 0.00 0.00 42.46 41.18 1q82 s ILE 75 CO 0.10 0.00 0.11 -0.69 0.24 0.00 0.00 174.94 174.71 1q82 s VAL 76 N -3.57 1.28 -0.54 8.37 1.01 -1.26 -0.66 120.40 125.03 1q82 s VAL 76 Ca 0.36 -1.83 -0.28 0.00 0.00 0.00 0.00 61.98 60.24 1q82 s VAL 76 Cb 0.04 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.48 1q82 s VAL 76 CO 0.20 -0.70 1.47 -0.62 0.00 0.00 0.00 175.10 175.45 1q82 s ASP 77 N 1.22 6.06 1.01 3.32 -1.08 0.24 -4.65 116.67 122.78 1q82 s ASP 77 Ca 0.12 0.37 0.00 0.00 -0.52 0.00 0.00 52.55 52.52 1q82 s ASP 77 Cb -0.19 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.73 1q82 s ASP 77 CO -0.17 -1.75 0.00 0.61 0.52 0.00 0.00 175.17 174.38 1q82 n GLY 78 N 5.30 0.96 0.00 2.66 0.00 -1.26 0.25 105.19 113.10 1q82 n GLY 78 Ca 0.14 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1q82 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q82 n GLY 79 N 0.00 -0.77 3.81 -0.02 0.00 -1.26 -5.01 105.19 101.93 1q82 n GLY 79 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1q82 n GLY 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1q82 s LYS 80 N -0.16 3.89 -0.03 1.61 2.20 0.14 -5.06 119.74 122.33 1q82 s LYS 80 Ca 0.00 0.07 -0.27 0.00 -0.36 0.00 0.00 55.97 55.40 1q82 s LYS 80 Cb 0.00 -3.29 -0.03 0.00 -1.51 0.00 0.00 37.83 32.99 1q82 s LYS 80 CO 0.00 0.54 0.87 -2.00 -0.36 0.00 0.00 175.35 174.40 1q82 s GLU 81 N -0.44 4.51 0.06 4.03 2.12 -1.26 0.79 118.70 128.50 1q82 s GLU 81 Ca 0.17 1.20 0.02 0.00 0.36 0.00 0.00 54.97 56.72 1q82 s GLU 81 Cb -0.13 -3.46 -0.03 0.00 0.26 0.00 0.00 34.13 30.77 1q82 s GLU 81 CO 0.06 -0.01 -0.08 0.15 -0.54 0.00 0.00 175.26 174.84 1q82 s LYS 82 N 0.95 0.62 -0.13 4.30 1.02 0.17 -4.91 119.74 121.76 1q82 s LYS 82 Ca 0.46 -0.91 -0.00 0.00 0.02 0.00 0.00 55.97 55.54 1q82 s LYS 82 Cb -0.20 -0.29 -0.01 0.00 -0.52 0.00 0.00 37.83 36.81 1q82 s LYS 82 CO 0.24 0.04 -0.13 0.99 -0.92 0.00 0.00 175.35 175.56 1q82 s THR 83 N -1.95 3.02 -0.19 2.17 2.01 -1.26 -0.44 115.64 119.00 1q82 s THR 83 Ca -0.04 -0.67 -0.01 0.00 0.31 0.00 0.00 61.69 61.28 1q82 s THR 83 Cb -0.06 -2.27 0.01 0.00 0.01 0.00 0.00 72.50 70.19 1q82 s THR 83 CO -0.01 0.52 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.67 1q82 s ILE 84 N 0.36 2.51 -0.55 1.82 1.01 0.21 -4.93 121.20 121.63 1q82 s ILE 84 Ca -0.11 -0.79 -0.28 0.00 0.00 0.00 0.00 60.65 59.47 1q82 s ILE 84 Cb -0.16 -2.09 0.03 0.00 0.01 0.00 0.00 42.46 40.25 1q82 s ILE 84 CO 0.06 0.50 1.16 -0.63 0.00 0.00 0.00 174.94 176.03 1q82 s ILE 85 N 1.35 4.10 -0.04 2.92 -1.09 -1.26 -1.29 121.20 125.90 1q82 s ILE 85 Ca 0.05 0.97 -0.05 0.00 -2.23 0.00 0.00 60.65 59.39 1q82 s ILE 85 Cb -0.13 -4.68 0.01 0.00 -1.58 0.00 0.00 42.46 36.08 1q82 s ILE 85 CO -0.10 -1.23 0.12 0.54 -1.23 0.00 0.00 174.94 173.05 1q82 s VAL 86 N 4.74 0.02 0.66 2.92 0.11 0.11 -4.62 120.40 124.34 1q82 s VAL 86 Ca 0.44 -0.16 -0.09 0.00 -2.93 0.00 0.00 61.98 59.23 1q82 s VAL 86 Cb -0.08 -0.24 0.02 0.00 -1.53 0.00 0.00 36.38 34.55 1q82 s VAL 86 CO 0.27 -0.09 1.01 0.42 -3.33 0.00 0.00 175.10 173.38 1q82 s THR 87 N -0.26 3.46 0.16 5.04 -4.23 -1.06 0.55 115.64 119.30 1q82 s THR 87 Ca -0.03 0.22 -0.16 0.00 -1.18 0.00 0.00 61.69 60.54 1q82 s THR 87 Cb -0.03 -3.43 0.07 0.00 1.34 0.00 0.00 72.50 70.45 1q82 s THR 87 CO 0.00 -0.51 1.70 0.00 -0.54 0.00 0.00 174.62 175.27 1q82 h ALA 88 N -0.45 0.36 -1.20 3.99 0.00 -1.84 -2.48 119.26 117.63 1q82 h ALA 88 Ca -0.45 0.11 0.35 0.00 0.00 0.00 0.00 54.91 54.92 1q82 h ALA 88 Cb 1.26 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 19.19 1q82 h ALA 88 CO 0.62 -0.39 1.02 0.00 0.00 0.00 0.00 179.25 180.50 1q82 n ALA 89 N -2.54 1.15 -0.95 0.00 0.00 -1.20 0.14 120.51 117.11 1q82 n ALA 89 Ca 0.02 0.40 0.09 0.00 0.00 0.00 0.00 53.44 53.95 1q82 n ALA 89 Cb 0.20 -0.69 0.21 0.00 0.00 0.00 0.00 19.45 19.17 1q82 n ALA 89 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1q82 n HIS 90 N -3.16 0.58 -4.40 0.00 -0.00 -0.93 -4.54 115.22 102.77 1q82 n HIS 90 Ca 0.27 -0.89 -0.23 0.00 -0.00 0.00 0.00 57.72 56.88 1q82 n HIS 90 Cb 1.37 -0.24 -0.13 0.00 -0.00 0.00 0.00 29.99 30.99 1q82 n HIS 90 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1q82 s LEU 91 N -2.70 2.22 0.05 2.41 1.43 0.36 -1.34 118.68 121.12 1q82 s LEU 91 Ca 0.37 -0.56 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1q82 s LEU 91 Cb 0.30 -0.79 -0.03 0.00 0.03 0.00 0.00 46.19 45.71 1q82 s LEU 91 CO 0.07 0.07 -0.10 -0.13 0.23 0.00 0.00 176.35 176.48 1q82 s ARG 92 N -1.44 0.65 0.03 1.70 1.81 -0.77 -4.94 118.95 115.99 1q82 s ARG 92 Ca 0.04 -0.84 -0.30 0.00 -1.72 0.00 0.00 55.73 52.91 1q82 s ARG 92 Cb -0.09 -0.50 -0.04 0.00 -0.45 0.00 0.00 34.95 33.86 1q82 s ARG 92 CO 0.02 0.10 1.10 1.03 -0.68 0.00 0.00 175.30 176.87 1q82 s ARG 93 N -1.67 4.49 0.44 3.54 0.52 -1.26 -0.37 118.95 124.63 1q82 s ARG 93 Ca -0.07 1.61 -0.23 0.00 -0.52 0.00 0.00 55.73 56.51 1q82 s ARG 93 Cb -0.10 -3.41 -0.08 0.00 0.52 0.00 0.00 34.95 31.88 1q82 s ARG 93 CO 0.01 -0.17 1.14 -1.14 0.02 0.00 0.00 175.30 175.15 1q82 s GLN 94 N 1.10 3.90 0.00 3.54 0.74 -0.62 -4.84 119.66 123.47 1q82 s GLN 94 Ca 0.55 1.72 0.00 0.00 0.05 0.00 0.00 55.36 57.68 1q82 s GLN 94 Cb -0.25 -2.48 0.00 0.00 1.10 0.00 0.00 33.01 31.38 1q82 s GLN 94 CO 0.28 -0.42 0.00 0.39 -0.55 0.00 0.00 175.29 174.99