#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q86 s ARG 2 N 0.00 2.84 0.34 1.61 0.52 -0.47 -5.05 118.95 118.75 1q86 s ARG 2 Ca 0.00 -1.14 -0.29 0.00 -0.52 0.00 0.00 55.73 53.78 1q86 s ARG 2 Cb 0.00 -2.52 -0.11 0.00 0.52 0.00 0.00 34.95 32.84 1q86 s ARG 2 CO 0.00 0.31 1.51 1.03 0.02 0.00 0.00 175.30 178.17 1q86 s ARG 3 N -3.88 4.13 0.99 3.54 1.81 -1.26 -4.78 118.95 119.50 1q86 s ARG 3 Ca 0.35 2.55 -0.16 0.00 -1.72 0.00 0.00 55.73 56.76 1q86 s ARG 3 Cb -0.07 -2.99 0.20 0.00 -0.45 0.00 0.00 34.95 31.63 1q86 s ARG 3 CO 0.25 -0.55 1.23 0.96 -0.68 0.00 0.00 175.30 176.51 1q86 s ILE 4 N -0.72 1.91 0.22 1.52 -4.36 -1.26 -4.86 121.20 113.65 1q86 s ILE 4 Ca 0.56 0.00 -0.09 0.00 -0.26 0.00 0.00 60.65 60.86 1q86 s ILE 4 Cb -0.47 -2.84 0.18 0.00 1.25 0.00 0.00 42.46 40.58 1q86 s ILE 4 CO 0.57 0.00 1.89 -0.61 0.24 0.00 0.00 174.94 177.03 1q86 h GLN 5 N -1.78 1.07 -0.32 0.37 4.15 -1.94 -2.17 115.11 114.50 1q86 h GLN 5 Ca -0.46 -0.06 0.09 0.00 0.77 0.00 0.00 58.65 58.99 1q86 h GLN 5 Cb 1.27 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.71 1q86 h GLN 5 CO 0.44 0.71 0.28 0.78 -1.93 0.00 0.00 178.83 179.11 1q86 h GLY 6 N 1.10 0.00 1.74 2.39 0.00 -1.98 -0.95 103.07 105.37 1q86 h GLY 6 Ca 0.30 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.37 1q86 h GLY 6 CO -0.07 0.00 -1.18 1.46 0.00 0.00 0.00 176.54 176.76 1q86 h GLN 7 N 0.00 0.19 -0.21 4.80 4.20 -1.75 -3.22 115.11 119.12 1q86 h GLN 7 Ca 0.15 -0.33 -0.07 0.00 0.06 0.00 0.00 58.65 58.47 1q86 h GLN 7 Cb 0.71 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 1q86 h GLN 7 CO -0.00 1.15 -0.17 0.00 -0.67 0.00 0.00 178.83 179.15 1q86 h ARG 8 N 0.05 0.35 0.01 1.46 -0.00 -1.03 -3.25 114.38 111.97 1q86 h ARG 8 Ca -0.10 -0.10 -0.00 0.00 -0.50 0.00 0.00 59.98 59.28 1q86 h ARG 8 Cb 1.91 -0.04 -0.00 0.00 0.00 0.00 0.00 29.97 31.84 1q86 h ARG 8 CO 0.18 0.52 -0.01 0.00 0.00 0.00 0.00 179.97 180.65 1q86 h ARG 9 N 0.32 -0.02 -0.75 0.04 3.08 -1.47 -2.84 114.38 112.73 1q86 h ARG 9 Ca 0.06 0.00 0.28 0.00 0.07 0.00 0.00 59.98 60.39 1q86 h ARG 9 Cb 0.49 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.45 1q86 h ARG 9 CO 0.03 -0.02 0.46 0.41 -1.07 0.00 0.00 179.97 179.78 1q86 n GLY 10 N -1.01 -0.49 0.20 0.04 0.00 -1.23 0.96 105.19 103.65 1q86 n GLY 10 Ca -0.00 0.48 0.11 0.00 0.00 0.00 0.00 46.02 46.61 1q86 n GLY 10 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1q86 h ARG 11 N 0.00 0.00 -5.60 1.61 3.08 -1.62 -3.46 114.38 108.39 1q86 h ARG 11 Ca 0.53 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 60.23 1q86 h ARG 11 Cb 1.60 0.00 0.15 0.00 0.08 0.00 0.00 29.97 31.80 1q86 h ARG 11 CO -0.36 0.00 -0.70 0.41 -1.07 0.00 0.00 179.97 178.25 1q86 n GLY 12 N -1.26 -0.42 3.95 0.04 0.00 0.27 -5.02 105.19 102.75 1q86 n GLY 12 Ca -0.01 0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 1q86 n GLY 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q86 s THR 13 N -3.33 2.24 0.05 2.61 -4.23 -1.26 -4.80 115.64 106.92 1q86 s THR 13 Ca 0.29 -0.34 -0.11 0.00 -1.18 0.00 0.00 61.69 60.34 1q86 s THR 13 Cb -0.13 -2.90 -0.03 0.00 1.34 0.00 0.00 72.50 70.78 1q86 s THR 13 CO 0.70 0.00 1.19 -1.28 -0.54 0.00 0.00 174.62 174.69 1q86 h SER 14 N -0.68 -0.68 -1.97 3.99 0.87 -1.95 0.08 113.55 113.22 1q86 h SER 14 Ca -0.42 0.10 0.57 0.00 -1.23 0.00 0.00 61.79 60.81 1q86 h SER 14 Cb 1.29 0.29 -0.08 0.00 -0.44 0.00 0.00 62.40 63.46 1q86 h SER 14 CO 0.51 -0.12 1.41 0.41 -0.53 0.00 0.00 176.83 178.52 1q86 n THR 15 N -3.68 -0.01 0.31 2.23 -1.04 -1.26 -0.97 114.28 109.86 1q86 n THR 15 Ca -0.00 1.51 0.09 0.00 -2.04 0.00 0.00 64.05 63.61 1q86 n THR 15 Cb 0.11 -2.51 -0.13 0.00 -1.82 0.00 0.00 70.33 65.97 1q86 n THR 15 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1q86 n PHE 16 N -3.96 0.00 -1.59 -1.42 3.01 -0.08 -4.33 117.46 109.09 1q86 n PHE 16 Ca 0.45 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.59 1q86 n PHE 16 Cb 2.01 -0.28 0.05 0.00 -0.01 0.00 0.00 39.48 41.25 1q86 n PHE 16 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1q86 s ARG 17 N -3.12 2.91 0.18 -1.08 0.52 -0.14 -3.94 118.95 114.27 1q86 s ARG 17 Ca -0.02 1.01 -0.14 0.00 -0.52 0.00 0.00 55.73 56.05 1q86 s ARG 17 Cb 0.13 -1.98 -0.07 0.00 0.52 0.00 0.00 34.95 33.54 1q86 s ARG 17 CO 0.79 -1.13 0.58 0.00 0.02 0.00 0.00 175.30 175.56 1q86 s ALA 18 N -2.96 3.54 -0.50 2.13 0.00 -1.26 -4.44 121.76 118.26 1q86 s ALA 18 Ca 0.59 -0.10 -0.04 0.00 0.00 0.00 0.00 51.96 52.41 1q86 s ALA 18 Cb -0.15 -2.57 -0.06 0.00 0.00 0.00 0.00 23.12 20.34 1q86 s ALA 18 CO 0.53 0.44 1.86 -0.35 0.00 0.00 0.00 175.76 178.24 1q86 n PRO 19 N 0.62 1.40 -0.35 0.00 -0.04 -1.26 -4.68 135.00 130.68 1q86 n PRO 19 Ca -0.04 -1.00 0.04 0.00 -0.04 0.00 0.00 63.50 62.46 1q86 n PRO 19 Cb 0.52 -2.16 0.12 0.00 -0.04 0.00 0.00 33.50 31.93 1q86 n PRO 19 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1q86 h SER 20 N 6.11 -0.97 -0.21 3.54 0.02 -1.97 0.34 113.55 120.40 1q86 h SER 20 Ca 0.30 0.29 0.06 0.00 -0.84 0.00 0.00 61.79 61.60 1q86 h SER 20 Cb 0.28 0.62 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 1q86 h SER 20 CO 1.06 -0.32 0.37 1.12 -1.14 0.00 0.00 176.83 177.92 1q86 h HIS 21 N -0.00 0.00 -0.01 3.45 2.07 -2.04 0.46 115.15 119.08 1q86 h HIS 21 Ca 0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.97 1q86 h HIS 21 Cb 0.69 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.67 1q86 h HIS 21 CO -0.76 0.00 -0.24 0.54 -3.07 0.00 0.00 177.93 174.40 1q86 n ARG 22 N -3.36 1.01 -2.87 5.12 1.74 0.12 -4.92 116.66 113.49 1q86 n ARG 22 Ca 0.03 -0.62 -0.34 0.00 -0.77 0.00 0.00 57.85 56.14 1q86 n ARG 22 Cb 0.48 -1.49 -0.07 0.00 -1.02 0.00 0.00 32.46 30.37 1q86 n ARG 22 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1q86 s TYR 23 N -2.42 3.43 -0.05 -1.55 4.12 0.16 -4.88 117.35 116.15 1q86 s TYR 23 Ca 0.26 1.58 -0.02 0.00 0.02 0.00 0.00 57.07 58.91 1q86 s TYR 23 Cb 0.19 -2.81 -0.01 0.00 -1.52 0.00 0.00 41.96 37.82 1q86 s TYR 23 CO 0.50 0.02 -0.04 0.87 0.02 0.00 0.00 175.55 176.92 1q86 h LYS 24 N 2.34 0.00 -3.46 -0.62 1.57 -1.91 -3.50 116.57 110.99 1q86 h LYS 24 Ca -0.48 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.16 1q86 h LYS 24 Cb 1.18 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.29 1q86 h LYS 24 CO 0.63 0.00 -0.47 0.00 -0.57 0.00 0.00 179.45 179.04 1q86 s ALA 25 N -2.84 -0.38 -0.78 3.86 0.00 -1.26 -5.09 121.76 115.28 1q86 s ALA 25 Ca -0.03 -0.07 -0.21 0.00 0.00 0.00 0.00 51.96 51.65 1q86 s ALA 25 Cb 0.00 0.10 0.10 0.00 0.00 0.00 0.00 23.12 23.32 1q86 s ALA 25 CO 0.05 -0.21 1.03 0.34 0.00 0.00 0.00 175.76 176.97 1q86 s ASP 26 N -1.35 6.37 -0.16 0.00 -1.08 -1.26 -4.98 116.67 114.21 1q86 s ASP 26 Ca -0.14 -1.47 -0.29 0.00 -0.52 0.00 0.00 52.55 50.13 1q86 s ASP 26 Cb -0.07 -2.41 -0.06 0.00 -1.46 0.00 0.00 42.92 38.92 1q86 s ASP 26 CO 0.02 -1.27 2.17 0.18 0.52 0.00 0.00 175.17 176.79 1q86 n LEU 27 N 7.18 3.45 -3.77 -1.34 4.77 -1.26 -4.96 117.00 121.07 1q86 n LEU 27 Ca 0.09 0.37 -0.13 0.00 -0.03 0.00 0.00 56.01 56.31 1q86 n LEU 27 Cb 0.47 -1.54 -0.11 0.00 -2.33 0.00 0.00 43.42 39.91 1q86 n LEU 27 CO 0.58 -0.48 -0.03 -1.61 -1.33 0.00 0.00 177.39 174.52 1q86 s GLU 28 N 5.92 0.38 0.50 3.23 2.02 -1.26 -4.94 118.70 124.56 1q86 s GLU 28 Ca 0.98 0.34 -0.23 0.00 0.02 0.00 0.00 54.97 56.09 1q86 s GLU 28 Cb -0.37 0.18 -0.07 0.00 0.10 0.00 0.00 34.13 33.98 1q86 s GLU 28 CO 0.37 -0.06 1.27 0.72 0.02 0.00 0.00 175.26 177.58 1q86 n HIS 29 N 2.73 2.03 -1.28 1.61 8.25 -1.15 -4.97 115.22 122.45 1q86 n HIS 29 Ca -0.14 0.46 -0.31 0.00 -0.26 0.00 0.00 57.72 57.47 1q86 n HIS 29 Cb 0.58 -2.34 0.09 0.00 1.12 0.00 0.00 29.99 29.44 1q86 n HIS 29 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1q86 s ARG 30 N -2.59 2.20 -0.26 -0.41 0.52 -1.26 -4.78 118.95 112.36 1q86 s ARG 30 Ca 0.68 1.12 -0.10 0.00 -0.52 0.00 0.00 55.73 56.91 1q86 s ARG 30 Cb -0.45 -1.89 -0.04 0.00 0.52 0.00 0.00 34.95 33.08 1q86 s ARG 30 CO 0.52 -1.67 0.15 0.15 0.02 0.00 0.00 175.30 174.47 1q86 s LYS 31 N -4.92 3.88 -0.15 3.54 1.02 -1.26 -5.05 119.74 116.80 1q86 s LYS 31 Ca 0.61 -0.36 -0.01 0.00 0.02 0.00 0.00 55.97 56.23 1q86 s LYS 31 Cb -0.17 -3.53 -0.02 0.00 -0.52 0.00 0.00 37.83 33.59 1q86 s LYS 31 CO 0.56 -0.14 -0.10 0.08 -0.92 0.00 0.00 175.35 174.83 1q86 s VAL 32 N 1.58 3.24 0.18 3.17 1.01 -1.26 -5.00 120.40 123.32 1q86 s VAL 32 Ca 0.07 -0.59 -0.16 0.00 0.00 0.00 0.00 61.98 61.30 1q86 s VAL 32 Cb -0.15 -2.39 0.13 0.00 0.00 0.00 0.00 36.38 33.97 1q86 s VAL 32 CO 0.08 0.51 1.66 -0.33 0.00 0.00 0.00 175.10 177.01 1q86 h GLU 33 N 6.90 -0.00 0.00 2.72 3.07 -2.00 -3.47 114.58 121.79 1q86 h GLU 33 Ca -0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.57 1q86 h GLU 33 Cb 1.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 1q86 h GLU 33 CO 0.58 -0.00 0.00 -3.47 -1.40 0.00 0.00 179.01 174.71 1q86 n ASP 34 N -5.34 0.00 0.00 1.42 -0.08 -1.26 -5.05 116.55 106.25 1q86 n ASP 34 Ca 0.03 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 1q86 n ASP 34 Cb 0.25 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.71 1q86 n ASP 34 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1q86 n GLY 35 N -0.98 2.45 2.92 0.27 0.00 -1.26 -4.49 105.19 104.09 1q86 n GLY 35 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1q86 n GLY 35 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1q86 n ASP 36 N 1.02 0.00 -0.31 1.61 2.03 -1.26 -4.51 116.55 115.12 1q86 n ASP 36 Ca 0.00 0.00 0.28 0.00 0.52 0.00 0.00 54.79 55.59 1q86 n ASP 36 Cb 0.00 0.00 0.43 0.00 -0.72 0.00 0.00 41.12 40.83 1q86 n ASP 36 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1q86 n VAL 37 N -1.49 0.00 -1.68 5.18 0.24 -1.26 -4.34 118.33 114.98 1q86 n VAL 37 Ca 0.00 0.96 -0.47 0.00 -2.04 0.00 0.00 64.34 62.80 1q86 n VAL 37 Cb 0.00 -1.67 -0.04 0.00 -1.47 0.00 0.00 33.84 30.66 1q86 n VAL 37 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1q86 n ILE 38 N -2.98 0.56 -4.11 1.34 2.08 -1.26 -4.95 119.36 110.05 1q86 n ILE 38 Ca 0.23 -0.10 -0.10 0.00 0.56 0.00 0.00 62.75 63.34 1q86 n ILE 38 Cb 1.25 -1.96 -0.09 0.00 -0.75 0.00 0.00 39.64 38.09 1q86 n ILE 38 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1q86 s ALA 39 N 3.84 0.63 0.29 -1.39 0.00 -1.26 -1.50 121.76 122.37 1q86 s ALA 39 Ca 0.90 -1.34 -0.20 0.00 0.00 0.00 0.00 51.96 51.32 1q86 s ALA 39 Cb -0.63 1.08 0.05 0.00 0.00 0.00 0.00 23.12 23.62 1q86 s ALA 39 CO 0.48 -0.61 0.82 0.20 0.00 0.00 0.00 175.76 176.65 1q86 s GLY 40 N -3.07 0.10 -0.07 0.00 0.00 -0.83 -1.64 107.32 101.80 1q86 s GLY 40 Ca 0.28 -0.43 0.05 0.00 0.00 0.00 0.00 44.72 44.61 1q86 s GLY 40 CO 0.06 0.14 -0.22 -1.59 0.00 0.00 0.00 173.10 171.49 1q86 s THR 41 N -2.98 1.87 -0.13 0.90 2.01 0.13 -1.87 115.64 115.57 1q86 s THR 41 Ca 0.14 -0.94 -0.29 0.00 0.31 0.00 0.00 61.69 60.92 1q86 s THR 41 Cb -0.05 -1.61 -0.06 0.00 0.01 0.00 0.00 72.50 70.80 1q86 s THR 41 CO 0.08 0.52 1.94 -0.69 -0.69 0.00 0.00 174.62 175.78 1q86 s VAL 42 N 0.16 3.23 -0.09 3.82 1.01 -0.29 -1.44 120.40 126.80 1q86 s VAL 42 Ca -0.11 0.26 0.14 0.00 0.00 0.00 0.00 61.98 62.27 1q86 s VAL 42 Cb -0.15 -3.23 -0.23 0.00 0.00 0.00 0.00 36.38 32.76 1q86 s VAL 42 CO 0.06 -0.09 0.50 0.52 0.00 0.00 0.00 175.10 176.08 1q86 n VAL 43 N 6.52 1.54 -3.72 2.92 0.31 0.57 0.47 118.33 126.94 1q86 n VAL 43 Ca 0.23 -0.81 -0.04 0.00 -0.01 0.00 0.00 64.34 63.71 1q86 n VAL 43 Cb 0.44 -0.87 -0.01 0.00 -0.91 0.00 0.00 33.84 32.48 1q86 n VAL 43 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1q86 s ASP 44 N -5.91 -0.20 -0.21 4.52 2.15 -1.16 -4.85 116.67 111.01 1q86 s ASP 44 Ca -0.06 -0.35 0.01 0.00 0.43 0.00 0.00 52.55 52.58 1q86 s ASP 44 Cb 0.07 0.47 0.04 0.00 -0.30 0.00 0.00 42.92 43.21 1q86 s ASP 44 CO 0.83 -0.86 -0.12 -0.63 -0.17 0.00 0.00 175.17 174.22 1q86 s ILE 45 N -3.26 1.80 0.35 4.11 -1.09 -1.26 -0.73 121.20 121.12 1q86 s ILE 45 Ca 0.11 -1.11 0.08 0.00 -2.23 0.00 0.00 60.65 57.51 1q86 s ILE 45 Cb -0.01 -1.84 -0.05 0.00 -1.58 0.00 0.00 42.46 38.98 1q86 s ILE 45 CO 0.01 0.19 0.08 -1.61 -1.23 0.00 0.00 174.94 172.38 1q86 s GLU 46 N 1.33 2.20 0.01 2.79 2.02 0.14 -4.90 118.70 122.29 1q86 s GLU 46 Ca -0.02 -1.70 -0.20 0.00 0.02 0.00 0.00 54.97 53.07 1q86 s GLU 46 Cb -0.16 -2.01 -0.06 0.00 0.10 0.00 0.00 34.13 32.00 1q86 s GLU 46 CO -0.08 0.09 0.59 -1.58 0.02 0.00 0.00 175.26 174.29 1q86 s HIS 47 N -2.50 3.71 -0.47 1.61 5.65 -1.26 0.17 115.29 122.19 1q86 s HIS 47 Ca 0.37 1.22 -0.14 0.00 0.25 0.00 0.00 55.06 56.76 1q86 s HIS 47 Cb -0.00 -2.59 0.09 0.00 -1.18 0.00 0.00 32.58 28.90 1q86 s HIS 47 CO 0.21 0.40 0.38 0.34 -0.65 0.00 0.00 174.74 175.42 1q86 s ASP 48 N -0.38 6.00 0.46 9.88 2.15 0.12 -4.84 116.67 130.06 1q86 s ASP 48 Ca 0.31 -1.51 0.22 0.00 0.43 0.00 0.00 52.55 52.00 1q86 s ASP 48 Cb -0.18 -2.13 1.21 0.00 -0.30 0.00 0.00 42.92 41.52 1q86 s ASP 48 CO 0.18 -0.67 1.88 -0.65 -0.17 0.00 0.00 175.17 175.74 1q86 h PRO 49 N 8.68 0.26 0.00 4.34 0.11 -1.90 0.20 132.00 143.69 1q86 h PRO 49 Ca -0.27 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.77 1q86 h PRO 49 Cb 1.10 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1q86 h PRO 49 CO 0.88 0.17 -0.27 0.00 -0.21 0.00 0.00 178.00 178.57 1q86 h ALA 50 N 1.61 0.86 0.00 -0.75 0.00 -1.92 -3.37 119.26 115.69 1q86 h ALA 50 Ca 0.43 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1q86 h ALA 50 Cb 1.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1q86 h ALA 50 CO -0.12 0.34 0.00 0.54 0.00 0.00 0.00 179.25 180.01 1q86 n ARG 51 N -3.22 -0.52 -3.36 0.00 1.74 -0.34 -5.01 116.66 105.95 1q86 n ARG 51 Ca 0.02 -0.35 -0.24 0.00 -0.77 0.00 0.00 57.85 56.51 1q86 n ARG 51 Cb 0.59 -0.84 0.02 0.00 -1.02 0.00 0.00 32.46 31.21 1q86 n ARG 51 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1q86 n SER 52 N -0.02 -4.99 -4.02 0.55 7.64 0.57 -4.76 113.62 108.59 1q86 n SER 52 Ca 0.00 -0.44 -0.08 0.00 1.01 0.00 0.00 58.87 59.37 1q86 n SER 52 Cb 0.07 -4.04 -0.09 0.00 -1.01 0.00 0.00 64.21 59.14 1q86 n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1q86 s ALA 53 N -3.12 0.28 0.45 -0.43 0.00 -1.24 -4.96 121.76 112.74 1q86 s ALA 53 Ca 0.43 -1.00 -0.23 0.00 0.00 0.00 0.00 51.96 51.16 1q86 s ALA 53 Cb -0.21 0.32 -0.08 0.00 0.00 0.00 0.00 23.12 23.15 1q86 s ALA 53 CO 0.53 -0.39 1.11 -1.25 0.00 0.00 0.00 175.76 175.75 1q86 s PRO 54 N -3.73 3.87 -0.02 0.00 0.04 -1.26 -0.71 135.00 133.19 1q86 s PRO 54 Ca 0.05 1.63 0.02 0.00 0.04 0.00 0.00 61.00 62.73 1q86 s PRO 54 Cb 0.06 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1q86 s PRO 54 CO -0.10 -0.42 -0.06 0.54 0.04 0.00 0.00 177.00 177.00 1q86 s VAL 55 N -1.65 0.55 -0.14 -0.36 0.11 0.45 -4.27 120.40 115.09 1q86 s VAL 55 Ca 0.63 -0.24 -0.18 0.00 -2.93 0.00 0.00 61.98 59.26 1q86 s VAL 55 Cb -0.25 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 34.06 1q86 s VAL 55 CO 0.30 0.18 0.49 0.00 -3.33 0.00 0.00 175.10 172.74 1q86 s ALA 56 N 0.23 3.49 -0.16 1.54 0.00 -0.90 0.27 121.76 126.24 1q86 s ALA 56 Ca -0.03 -0.25 -0.22 0.00 0.00 0.00 0.00 51.96 51.46 1q86 s ALA 56 Cb -0.07 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.33 1q86 s ALA 56 CO -0.00 -0.11 0.69 0.00 0.00 0.00 0.00 175.76 176.33 1q86 s ALA 57 N 0.89 3.49 -0.00 0.00 0.00 0.09 0.45 121.76 126.68 1q86 s ALA 57 Ca 0.25 -0.11 0.07 0.00 0.00 0.00 0.00 51.96 52.17 1q86 s ALA 57 Cb -0.15 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 19.93 1q86 s ALA 57 CO 0.10 -0.47 -0.21 0.08 0.00 0.00 0.00 175.76 175.27 1q86 s VAL 58 N 1.70 1.66 -0.27 0.00 1.01 -0.28 -0.31 120.40 123.91 1q86 s VAL 58 Ca 0.33 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 1q86 s VAL 58 Cb -0.16 -1.39 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 1q86 s VAL 58 CO 0.12 0.41 0.04 -1.61 0.00 0.00 0.00 175.10 174.07 1q86 s GLU 59 N -0.63 3.28 0.41 2.72 2.02 -0.52 -1.66 118.70 124.31 1q86 s GLU 59 Ca 0.08 -0.72 -0.03 0.00 0.02 0.00 0.00 54.97 54.32 1q86 s GLU 59 Cb -0.08 -3.26 -0.04 0.00 0.10 0.00 0.00 34.13 30.85 1q86 s GLU 59 CO -0.00 -0.33 0.66 -0.06 0.02 0.00 0.00 175.26 175.55 1q86 s PHE 60 N 1.51 3.53 0.24 1.61 0.40 -0.08 0.18 117.98 125.38 1q86 s PHE 60 Ca 0.04 0.59 -0.04 0.00 -0.60 0.00 0.00 56.93 56.92 1q86 s PHE 60 Cb -0.16 -2.10 0.46 0.00 0.51 0.00 0.00 43.02 41.73 1q86 s PHE 60 CO 0.01 -0.06 1.73 0.93 0.70 0.00 0.00 175.22 178.52 1q86 h GLU 61 N 0.56 0.42 -1.77 0.44 5.08 -1.63 -2.17 114.58 115.50 1q86 h GLU 61 Ca -0.48 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 57.73 1q86 h GLU 61 Cb 1.21 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.31 1q86 h GLU 61 CO 0.62 0.27 0.16 -0.40 -1.00 0.00 0.00 179.01 178.66 1q86 n ASP 62 N -5.01 5.63 0.00 1.42 5.75 -1.26 -4.83 116.55 118.25 1q86 n ASP 62 Ca 0.14 -2.64 0.00 0.00 -0.01 0.00 0.00 54.79 52.28 1q86 n ASP 62 Cb 0.42 -1.07 0.00 0.00 -1.03 0.00 0.00 41.12 39.44 1q86 n ASP 62 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1q86 n GLY 63 N 1.01 1.97 3.66 6.12 0.00 -0.81 -4.97 105.19 112.17 1q86 n GLY 63 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1q86 n GLY 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1q86 s ASP 64 N -0.75 6.39 -0.27 1.61 1.01 -1.25 -4.74 116.67 118.67 1q86 s ASP 64 Ca 0.00 2.62 -0.07 0.00 0.71 0.00 0.00 52.55 55.81 1q86 s ASP 64 Cb 0.00 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.39 1q86 s ASP 64 CO 0.00 -1.11 0.07 -0.60 0.21 0.00 0.00 175.17 173.74 1q86 s ARG 65 N 4.58 3.45 -0.03 8.23 6.06 -1.26 -0.90 118.95 139.08 1q86 s ARG 65 Ca 0.89 -0.61 -0.10 0.00 -2.50 0.00 0.00 55.73 53.40 1q86 s ARG 65 Cb -0.42 -3.34 0.02 0.00 0.06 0.00 0.00 34.95 31.27 1q86 s ARG 65 CO 0.41 -0.28 0.23 1.03 -2.50 0.00 0.00 175.30 174.19 1q86 s ARG 66 N 1.57 0.50 0.51 5.12 0.52 -0.67 -5.00 118.95 121.51 1q86 s ARG 66 Ca 0.05 -0.12 -0.17 0.00 -0.52 0.00 0.00 55.73 54.96 1q86 s ARG 66 Cb -0.16 0.22 -0.08 0.00 0.52 0.00 0.00 34.95 35.45 1q86 s ARG 66 CO 0.03 -0.12 0.99 -0.51 0.02 0.00 0.00 175.30 175.71 1q86 s LEU 67 N -0.96 3.67 0.04 2.53 1.43 -1.26 -1.12 118.68 123.00 1q86 s LEU 67 Ca -0.10 1.62 0.01 0.00 -1.03 0.00 0.00 54.13 54.63 1q86 s LEU 67 Cb -0.05 -4.52 -0.02 0.00 0.03 0.00 0.00 46.19 41.63 1q86 s LEU 67 CO 0.02 -0.62 -0.06 -0.63 0.23 0.00 0.00 176.35 175.30 1q86 s ILE 68 N -2.52 0.39 -0.70 -0.59 1.01 0.17 -4.75 121.20 114.22 1q86 s ILE 68 Ca 0.60 -1.05 -0.26 0.00 0.00 0.00 0.00 60.65 59.95 1q86 s ILE 68 Cb -0.11 -0.52 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 1q86 s ILE 68 CO 0.29 -0.44 1.94 -0.22 0.00 0.00 0.00 174.94 176.51 1q86 s LEU 69 N -1.58 3.25 -0.17 2.97 1.98 -1.26 -2.11 118.68 121.75 1q86 s LEU 69 Ca -0.11 0.07 -0.28 0.00 -2.89 0.00 0.00 54.13 50.92 1q86 s LEU 69 Cb -0.10 -2.54 -0.00 0.00 0.66 0.00 0.00 46.19 44.21 1q86 s LEU 69 CO -0.00 -2.57 0.99 0.00 -1.89 0.00 0.00 176.35 172.87 1q86 s ALA 70 N 9.79 3.55 0.81 5.97 0.00 -1.26 -4.94 121.76 135.69 1q86 s ALA 70 Ca 0.71 0.21 -0.12 0.00 0.00 0.00 0.00 51.96 52.77 1q86 s ALA 70 Cb -0.11 -3.45 0.08 0.00 0.00 0.00 0.00 23.12 19.64 1q86 s ALA 70 CO 0.14 -0.82 1.16 -2.14 0.00 0.00 0.00 175.76 174.10 1q86 s PRO 71 N 2.58 1.98 0.57 0.00 0.02 -1.26 -1.70 135.00 137.19 1q86 s PRO 71 Ca 0.44 0.21 -0.20 0.00 0.02 0.00 0.00 61.00 61.48 1q86 s PRO 71 Cb -0.16 -1.94 -0.04 0.00 0.02 0.00 0.00 34.50 32.37 1q86 s PRO 71 CO 0.12 -1.60 1.24 -2.00 -0.33 0.00 0.00 177.00 174.42 1q86 s GLU 72 N -5.48 3.08 0.00 5.54 2.12 0.20 -3.51 118.70 120.64 1q86 s GLU 72 Ca 0.62 1.91 0.00 0.00 0.36 0.00 0.00 54.97 57.86 1q86 s GLU 72 Cb -0.12 -2.05 0.00 0.00 0.26 0.00 0.00 34.13 32.22 1q86 s GLU 72 CO 0.50 -1.14 0.00 0.41 -0.54 0.00 0.00 175.26 174.49 1q86 n GLY 73 N 0.57 0.81 3.73 -1.50 0.00 -1.26 -4.80 105.19 102.74 1q86 n GLY 73 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1q86 n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q86 s VAL 74 N -3.19 4.97 0.27 1.61 1.01 -1.23 -5.06 120.40 118.78 1q86 s VAL 74 Ca 0.00 1.43 0.06 0.00 0.00 0.00 0.00 61.98 63.47 1q86 s VAL 74 Cb 0.00 -4.03 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 1q86 s VAL 74 CO 0.00 0.30 -0.05 -0.83 0.00 0.00 0.00 175.10 174.52 1q86 s GLY 75 N 0.47 1.75 0.35 4.51 0.00 -1.26 -5.06 107.32 108.09 1q86 s GLY 75 Ca 0.36 -1.86 -0.28 0.00 0.00 0.00 0.00 44.72 42.94 1q86 s GLY 75 CO 0.19 -1.80 1.42 -0.62 0.00 0.00 0.00 173.10 172.28 1q86 n VAL 76 N -0.54 1.85 0.00 1.40 0.31 -1.26 -1.83 118.33 118.25 1q86 n VAL 76 Ca -0.06 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 63.81 1q86 n VAL 76 Cb 0.63 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.77 1q86 n VAL 76 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1q86 n GLY 77 N 0.83 2.58 3.37 2.92 0.00 0.18 -4.97 105.19 110.09 1q86 n GLY 77 Ca 0.04 -0.59 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 1q86 n GLY 77 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q86 n ASP 78 N 1.19 -2.08 -4.30 1.61 9.92 -0.76 -4.44 116.55 117.68 1q86 n ASP 78 Ca 0.00 0.78 -0.35 0.00 -0.53 0.00 0.00 54.79 54.69 1q86 n ASP 78 Cb 0.00 -1.01 -0.14 0.00 -0.64 0.00 0.00 41.12 39.33 1q86 n ASP 78 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 1q86 s GLU 79 N -1.41 3.35 0.25 -1.24 2.12 -1.26 -1.14 118.70 119.37 1q86 s GLU 79 Ca 0.62 -0.64 0.06 0.00 0.36 0.00 0.00 54.97 55.37 1q86 s GLU 79 Cb -0.55 -2.97 -0.03 0.00 0.26 0.00 0.00 34.13 30.84 1q86 s GLU 79 CO 0.60 -0.19 0.29 -0.51 -0.54 0.00 0.00 175.26 174.91 1q86 s LEU 80 N 1.45 4.09 0.01 2.70 1.43 -0.78 -4.97 118.68 122.60 1q86 s LEU 80 Ca 0.05 -0.08 -0.00 0.00 -1.03 0.00 0.00 54.13 53.07 1q86 s LEU 80 Cb -0.14 -2.63 -0.01 0.00 0.03 0.00 0.00 46.19 43.44 1q86 s LEU 80 CO -0.04 -0.07 -0.02 -1.10 0.23 0.00 0.00 176.35 175.35 1q86 s GLN 81 N -3.92 0.23 -0.06 1.70 -0.21 -1.26 -1.97 119.66 114.16 1q86 s GLN 81 Ca 0.34 -0.44 -0.01 0.00 0.02 0.00 0.00 55.36 55.27 1q86 s GLN 81 Cb -0.08 0.08 0.03 0.00 1.00 0.00 0.00 33.01 34.03 1q86 s GLN 81 CO 0.27 -0.04 0.00 0.08 -2.12 0.00 0.00 175.29 173.49 1q86 s VAL 82 N -1.07 0.33 0.00 1.09 1.01 -0.57 -1.63 120.40 119.57 1q86 s VAL 82 Ca -0.12 0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1q86 s VAL 82 Cb -0.07 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.84 1q86 s VAL 82 CO -0.01 0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1q86 n GLY 83 N 4.88 0.97 0.34 4.51 0.00 -0.61 -4.16 105.19 111.12 1q86 n GLY 83 Ca -0.12 -1.36 0.10 0.00 0.00 0.00 0.00 46.02 44.64 1q86 n GLY 83 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1q86 h VAL 84 N 2.94 0.95 -0.43 1.61 2.07 -1.87 -2.58 116.25 118.95 1q86 h VAL 84 Ca 0.00 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 67.31 1q86 h VAL 84 Cb 0.00 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 1q86 h VAL 84 CO 0.00 0.07 0.05 0.47 0.02 0.00 0.00 177.57 178.19 1q86 n ASP 85 N -4.47 4.18 -4.76 0.57 8.00 -1.26 -4.87 116.55 113.93 1q86 n ASP 85 Ca 0.07 -3.16 -0.38 0.00 0.71 0.00 0.00 54.79 52.03 1q86 n ASP 85 Cb 0.28 -0.62 0.01 0.00 -0.02 0.00 0.00 41.12 40.77 1q86 n ASP 85 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q86 s ALA 86 N -2.92 3.00 1.21 2.24 0.00 -0.97 -4.97 121.76 119.34 1q86 s ALA 86 Ca 0.47 1.20 -0.15 0.00 0.00 0.00 0.00 51.96 53.48 1q86 s ALA 86 Cb 0.38 -3.49 0.26 0.00 0.00 0.00 0.00 23.12 20.27 1q86 s ALA 86 CO 0.10 -1.01 0.73 -1.91 0.00 0.00 0.00 175.76 173.67 1q86 n GLU 87 N -0.53 -2.63 -3.18 0.00 2.13 -1.26 -4.91 120.64 110.25 1q86 n GLU 87 Ca 0.07 -0.75 -0.37 0.00 0.66 0.00 0.00 57.16 56.77 1q86 n GLU 87 Cb 0.45 -2.01 -0.02 0.00 0.27 0.00 0.00 31.44 30.13 1q86 n GLU 87 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1q86 n ILE 88 N -4.98 4.23 -4.25 6.31 5.41 -1.26 -4.91 119.36 119.90 1q86 n ILE 88 Ca 0.03 -5.65 -0.16 0.00 1.00 0.00 0.00 62.75 57.96 1q86 n ILE 88 Cb 0.56 -2.11 -0.11 0.00 -0.71 0.00 0.00 39.64 37.28 1q86 n ILE 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1q86 s ALA 89 N -2.60 1.49 0.34 -1.39 0.00 -1.26 -5.10 121.76 113.24 1q86 s ALA 89 Ca 0.34 -1.39 -0.28 0.00 0.00 0.00 0.00 51.96 50.63 1q86 s ALA 89 Cb 0.07 -0.02 -0.12 0.00 0.00 0.00 0.00 23.12 23.05 1q86 s ALA 89 CO 0.05 0.01 1.26 -2.30 0.00 0.00 0.00 175.76 174.79 1q86 n PRO 90 N 0.19 2.05 0.00 0.00 -0.02 -1.26 -2.20 135.00 133.75 1q86 n PRO 90 Ca -0.13 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1q86 n PRO 90 Cb 0.59 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1q86 n PRO 90 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1q86 n GLY 91 N 0.81 2.05 3.88 -1.23 0.00 -0.36 -4.98 105.19 105.36 1q86 n GLY 91 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1q86 n GLY 91 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1q86 s ASN 92 N -1.60 6.61 -0.13 1.61 -0.87 -0.94 -4.62 114.94 115.01 1q86 s ASN 92 Ca 0.00 0.84 0.02 0.00 -1.57 0.00 0.00 52.86 52.14 1q86 s ASN 92 Cb 0.00 -2.19 -0.00 0.00 -0.02 0.00 0.00 41.25 39.04 1q86 s ASN 92 CO 0.00 0.00 -0.19 -0.89 -2.57 0.00 0.00 177.10 173.45 1q86 s THR 93 N -1.70 2.41 -0.09 1.60 2.01 -0.65 -1.62 115.64 117.61 1q86 s THR 93 Ca 0.43 -0.88 -0.29 0.00 0.31 0.00 0.00 61.69 61.26 1q86 s THR 93 Cb -0.12 -1.98 0.07 0.00 0.01 0.00 0.00 72.50 70.48 1q86 s THR 93 CO 0.21 0.54 0.67 -1.48 -0.69 0.00 0.00 174.62 173.88 1q86 s LEU 94 N 0.61 -0.63 0.21 4.42 2.34 -0.55 -1.57 118.68 123.51 1q86 s LEU 94 Ca -0.10 0.83 -0.29 0.00 0.06 0.00 0.00 54.13 54.63 1q86 s LEU 94 Cb -0.16 2.48 -0.16 0.00 -0.56 0.00 0.00 46.19 47.79 1q86 s LEU 94 CO 0.03 -0.54 0.66 -0.81 -1.06 0.00 0.00 176.35 174.63 1q86 n PRO 95 N 1.25 0.31 -0.36 1.48 -0.04 -1.26 -2.76 135.00 133.62 1q86 n PRO 95 Ca -0.18 0.11 0.31 0.00 -0.04 0.00 0.00 63.50 63.70 1q86 n PRO 95 Cb 0.57 -1.22 0.65 0.00 -0.04 0.00 0.00 33.50 33.46 1q86 n PRO 95 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1q86 h LEU 96 N 1.35 0.20 0.60 1.53 3.38 -0.40 -0.87 115.31 121.10 1q86 h LEU 96 Ca -0.32 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1q86 h LEU 96 Cb 1.42 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 1q86 h LEU 96 CO 0.58 0.01 -0.41 0.00 0.09 0.00 0.00 178.44 178.72 1q86 h ALA 97 N 1.50 -1.00 0.00 1.53 0.00 -1.51 -2.17 119.26 117.61 1q86 h ALA 97 Ca 0.63 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1q86 h ALA 97 Cb 2.08 0.52 0.00 0.00 0.00 0.00 0.00 17.79 20.39 1q86 h ALA 97 CO -0.17 -1.08 0.01 0.39 0.00 0.00 0.00 179.25 178.39 1q86 n GLU 98 N -5.53 0.12 -3.00 0.00 -0.58 -0.35 -4.67 120.64 106.63 1q86 n GLU 98 Ca -0.13 0.62 -0.39 0.00 -0.42 0.00 0.00 57.16 56.84 1q86 n GLU 98 Cb 0.42 -1.92 -0.06 0.00 -0.57 0.00 0.00 31.44 29.32 1q86 n GLU 98 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1q86 s ILE 99 N -3.48 4.40 0.15 -3.67 -1.09 -0.82 -5.04 121.20 111.65 1q86 s ILE 99 Ca -0.02 1.66 -0.30 0.00 -2.23 0.00 0.00 60.65 59.76 1q86 s ILE 99 Cb 0.05 -4.11 -0.07 0.00 -1.58 0.00 0.00 42.46 36.75 1q86 s ILE 99 CO 0.17 0.52 1.02 -2.16 -1.23 0.00 0.00 174.94 173.26 1q86 s PRO 100 N -1.17 4.66 0.63 2.79 0.04 -1.26 -5.00 135.00 135.69 1q86 s PRO 100 Ca 0.35 1.58 -0.18 0.00 0.04 0.00 0.00 61.00 62.79 1q86 s PRO 100 Cb -0.23 -3.32 -0.03 0.00 0.04 0.00 0.00 34.50 30.96 1q86 s PRO 100 CO 0.26 0.18 1.16 0.39 0.04 0.00 0.00 177.00 179.02 1q86 n GLU 101 N 2.48 1.04 -0.32 4.56 1.02 -1.26 -2.87 120.64 125.29 1q86 n GLU 101 Ca 0.02 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 1q86 n GLU 101 Cb 0.48 -2.38 0.00 0.00 -0.02 0.00 0.00 31.44 29.51 1q86 n GLU 101 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1q86 n GLY 102 N 1.07 0.84 3.78 0.62 0.00 -0.34 -5.03 105.19 106.14 1q86 n GLY 102 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1q86 n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q86 s VAL 103 N -2.74 5.35 0.17 1.61 1.01 -1.14 -4.94 120.40 119.72 1q86 s VAL 103 Ca 0.00 0.16 -0.31 0.00 0.00 0.00 0.00 61.98 61.83 1q86 s VAL 103 Cb 0.00 -3.39 -0.09 0.00 0.00 0.00 0.00 36.38 32.90 1q86 s VAL 103 CO 0.00 0.52 1.44 -2.84 0.00 0.00 0.00 175.10 174.21 1q86 s PRO 104 N -0.23 4.29 0.08 2.72 0.02 -1.26 -3.43 135.00 137.19 1q86 s PRO 104 Ca 0.10 2.20 0.02 0.00 0.02 0.00 0.00 61.00 63.34 1q86 s PRO 104 Cb -0.12 -3.18 -0.04 0.00 0.02 0.00 0.00 34.50 31.19 1q86 s PRO 104 CO 0.01 -0.45 -0.07 0.08 -0.33 0.00 0.00 177.00 176.24 1q86 s VAL 105 N 0.70 0.67 0.21 3.83 1.01 -0.82 -0.94 120.40 125.05 1q86 s VAL 105 Ca 0.64 -1.68 -0.01 0.00 0.00 0.00 0.00 61.98 60.93 1q86 s VAL 105 Cb -0.40 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1q86 s VAL 105 CO 0.35 -0.72 0.12 0.00 0.00 0.00 0.00 175.10 174.85 1q86 n ASN 107 N -0.30 -5.34 -4.76 0.00 5.15 0.63 -1.29 115.26 109.35 1q86 n ASN 107 Ca 0.01 -1.00 -0.39 0.00 -0.60 0.00 0.00 54.58 52.60 1q86 n ASN 107 Cb 0.66 -3.27 -0.05 0.00 -0.53 0.00 0.00 39.78 36.59 1q86 n ASN 107 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1q86 s VAL 108 N -3.43 4.74 0.26 3.44 1.01 0.34 -4.07 120.40 122.68 1q86 s VAL 108 Ca 0.45 1.51 -0.30 0.00 0.00 0.00 0.00 61.98 63.64 1q86 s VAL 108 Cb -0.17 -4.06 -0.09 0.00 0.00 0.00 0.00 36.38 32.07 1q86 s VAL 108 CO 0.87 0.41 0.97 -1.61 0.00 0.00 0.00 175.10 175.74 1q86 s GLU 109 N -0.27 4.79 -0.07 2.72 2.02 -1.01 0.89 118.70 127.77 1q86 s GLU 109 Ca 0.36 1.54 -0.27 0.00 0.02 0.00 0.00 54.97 56.62 1q86 s GLU 109 Cb -0.20 -3.21 -0.23 0.00 0.10 0.00 0.00 34.13 30.59 1q86 s GLU 109 CO 0.22 0.43 1.06 1.03 0.02 0.00 0.00 175.26 178.02 1q86 h SER 110 N 3.99 0.04 -4.32 -0.19 0.87 -1.92 -3.44 113.55 108.57 1q86 h SER 110 Ca -0.46 -0.71 -0.55 0.00 -1.23 0.00 0.00 61.79 58.85 1q86 h SER 110 Cb 1.20 -0.01 -0.28 0.00 -0.44 0.00 0.00 62.40 62.87 1q86 h SER 110 CO 0.67 0.74 -0.83 -0.94 -0.53 0.00 0.00 176.83 175.94 1q86 s SER 111 N -5.97 2.16 -0.13 6.23 1.04 -1.26 -4.69 113.70 111.08 1q86 s SER 111 Ca -0.17 -0.40 -0.40 0.00 0.48 0.00 0.00 55.95 55.46 1q86 s SER 111 Cb -0.00 -0.21 -0.18 0.00 0.10 0.00 0.00 66.02 65.73 1q86 s SER 111 CO 0.69 0.18 1.41 -0.81 0.98 0.00 0.00 173.24 175.69 1q86 n PRO 112 N 2.31 0.63 -0.34 4.02 -0.04 -1.26 -2.10 135.00 138.22 1q86 n PRO 112 Ca -0.16 0.23 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1q86 n PRO 112 Cb 0.54 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 1q86 n PRO 112 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q86 n GLY 113 N 2.89 1.11 0.00 0.55 0.00 -1.26 -4.91 105.19 103.57 1q86 n GLY 113 Ca 0.23 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.36 1q86 n GLY 113 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1q86 n ASP 114 N 0.00 0.00 0.00 1.61 5.68 -0.89 -4.89 116.55 118.06 1q86 n ASP 114 Ca 0.00 -0.26 0.00 0.00 -0.50 0.00 0.00 54.79 54.03 1q86 n ASP 114 Cb 0.00 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 39.79 1q86 n ASP 114 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1q86 n GLY 115 N 0.54 0.48 0.01 6.12 0.00 -1.26 -4.87 105.19 106.20 1q86 n GLY 115 Ca 0.13 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1q86 n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q86 n GLY 116 N -2.86 -1.78 1.30 -0.02 0.00 -1.26 -2.93 105.19 97.63 1q86 n GLY 116 Ca 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1q86 n GLY 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1q86 n LYS 117 N 0.58 0.00 -3.11 1.61 4.76 0.26 -4.84 118.16 117.42 1q86 n LYS 117 Ca 0.00 0.00 -0.29 0.00 -2.87 0.00 0.00 58.31 55.15 1q86 n LYS 117 Cb 0.00 -0.33 -0.03 0.00 -1.84 0.00 0.00 35.03 32.83 1q86 n LYS 117 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1q86 s PHE 118 N -1.95 3.48 -0.27 2.13 0.40 -0.30 -4.73 117.98 116.74 1q86 s PHE 118 Ca 0.00 0.82 -0.09 0.00 -0.60 0.00 0.00 56.93 57.07 1q86 s PHE 118 Cb 0.00 -2.26 0.01 0.00 0.51 0.00 0.00 43.02 41.28 1q86 s PHE 118 CO 0.00 0.04 0.21 0.00 0.70 0.00 0.00 175.22 176.17 1q86 n ALA 119 N -1.14 -2.85 -1.40 5.36 0.00 -1.26 -0.50 120.51 118.71 1q86 n ALA 119 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1q86 n ALA 119 Cb 0.54 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1q86 n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1q86 n ARG 120 N 0.53 0.00 -2.67 0.00 1.74 -1.26 0.23 116.66 115.23 1q86 n ARG 120 Ca 0.01 -0.18 -0.25 0.00 -0.77 0.00 0.00 57.85 56.67 1q86 n ARG 120 Cb 0.31 -0.30 0.02 0.00 -1.02 0.00 0.00 32.46 31.48 1q86 n ARG 120 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1q86 s ALA 121 N 0.00 3.54 -0.47 7.54 0.00 -1.26 -4.95 121.76 126.16 1q86 s ALA 121 Ca 0.00 -0.90 -0.43 0.00 0.00 0.00 0.00 51.96 50.63 1q86 s ALA 121 Cb 0.00 -2.36 -0.18 0.00 0.00 0.00 0.00 23.12 20.58 1q86 s ALA 121 CO 0.00 -0.61 2.03 0.43 0.00 0.00 0.00 175.76 177.61 1q86 n SER 122 N -2.34 1.11 -0.02 0.00 7.64 -1.26 -1.82 113.62 116.92 1q86 n SER 122 Ca 0.03 0.76 -0.00 0.00 1.01 0.00 0.00 58.87 60.67 1q86 n SER 122 Cb 0.58 -0.96 -0.00 0.00 -1.01 0.00 0.00 64.21 62.82 1q86 n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1q86 n GLY 123 N 6.58 0.08 3.92 0.23 0.00 -0.56 -4.51 105.19 110.93 1q86 n GLY 123 Ca 0.47 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.21 1q86 n GLY 123 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1q86 s VAL 124 N -1.14 2.04 -0.16 1.61 -7.23 -0.76 -4.60 120.40 110.16 1q86 s VAL 124 Ca 0.00 -0.06 -0.30 0.00 -1.81 0.00 0.00 61.98 59.82 1q86 s VAL 124 Cb 0.00 -2.98 0.12 0.00 0.56 0.00 0.00 36.38 34.08 1q86 s VAL 124 CO 0.00 0.00 0.97 0.54 -0.31 0.00 0.00 175.10 176.30 1q86 s ASN 125 N -4.70 -0.40 0.53 4.85 2.20 -1.26 -2.02 114.94 114.14 1q86 s ASN 125 Ca 0.67 0.48 0.04 0.00 -0.94 0.00 0.00 52.86 53.10 1q86 s ASN 125 Cb -0.08 0.38 0.04 0.00 -2.00 0.00 0.00 41.25 39.59 1q86 s ASN 125 CO 0.50 -0.35 0.74 0.00 -2.94 0.00 0.00 177.10 175.05 1q86 s ALA 126 N -0.99 4.11 -0.16 3.54 0.00 0.52 -3.98 121.76 124.80 1q86 s ALA 126 Ca -0.02 -1.51 -0.02 0.00 0.00 0.00 0.00 51.96 50.41 1q86 s ALA 126 Cb -0.01 -1.91 0.05 0.00 0.00 0.00 0.00 23.12 21.25 1q86 s ALA 126 CO 0.02 -0.68 0.03 -1.14 0.00 0.00 0.00 175.76 173.98 1q86 s GLN 127 N -4.67 0.65 -0.21 0.00 2.00 -0.53 -1.95 119.66 114.95 1q86 s GLN 127 Ca 0.58 -0.28 -0.29 0.00 -2.00 0.00 0.00 55.36 53.37 1q86 s GLN 127 Cb -0.10 -1.81 -0.00 0.00 0.80 0.00 0.00 33.01 31.90 1q86 s GLN 127 CO 0.37 -0.55 1.18 -1.17 -0.50 0.00 0.00 175.29 174.63 1q86 s LEU 128 N 1.89 4.11 -0.04 3.68 2.96 -1.22 -0.55 118.68 129.51 1q86 s LEU 128 Ca 0.01 1.50 -0.05 0.00 -0.22 0.00 0.00 54.13 55.37 1q86 s LEU 128 Cb -0.16 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.98 1q86 s LEU 128 CO -0.07 -0.77 -0.09 0.18 -1.32 0.00 0.00 176.35 174.27 1q86 n LEU 129 N 6.63 0.64 -4.78 -0.68 4.77 -0.52 -1.20 117.00 121.86 1q86 n LEU 129 Ca 0.13 0.10 -0.31 0.00 -0.03 0.00 0.00 56.01 55.90 1q86 n LEU 129 Cb 0.46 -0.46 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1q86 n LEU 129 CO 0.55 -0.46 -0.26 -0.89 -1.33 0.00 0.00 177.39 175.00 1q86 s THR 130 N -1.62 4.59 0.06 -5.08 2.01 -1.18 -4.57 115.64 109.87 1q86 s THR 130 Ca -0.08 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.26 1q86 s THR 130 Cb 0.01 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 69.34 1q86 s THR 130 CO 0.12 0.19 0.03 1.41 -0.69 0.00 0.00 174.62 175.68 1q86 n HIS 131 N 0.66 -0.93 -0.59 4.92 8.25 -1.26 -2.06 115.22 124.20 1q86 n HIS 131 Ca -0.10 -0.29 0.00 0.00 -0.26 0.00 0.00 57.72 57.08 1q86 n HIS 131 Cb 0.52 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.58 1q86 n HIS 131 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1q86 n ASP 132 N -1.70 0.00 0.00 0.41 -0.08 -1.20 -4.75 116.55 109.24 1q86 n ASP 132 Ca -0.01 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.38 1q86 n ASP 132 Cb 0.08 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.38 1q86 n ASP 132 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1q86 n ARG 133 N -0.78 0.65 -0.08 -0.67 1.74 -1.26 -4.63 116.66 111.64 1q86 n ARG 133 Ca 0.00 -0.17 -0.15 0.00 -0.77 0.00 0.00 57.85 56.76 1q86 n ARG 133 Cb 0.00 -1.55 -0.05 0.00 -1.02 0.00 0.00 32.46 29.84 1q86 n ARG 133 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1q86 n ASN 134 N -2.31 1.42 -4.27 0.55 3.02 -1.26 -4.89 115.26 107.52 1q86 n ASN 134 Ca -0.04 0.24 -0.30 0.00 -0.03 0.00 0.00 54.58 54.45 1q86 n ASN 134 Cb 0.57 -0.56 -0.16 0.00 -0.61 0.00 0.00 39.78 39.02 1q86 n ASN 134 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1q86 s VAL 135 N -2.43 1.90 -0.26 2.41 0.11 -1.26 -4.18 120.40 116.70 1q86 s VAL 135 Ca -0.23 -1.02 0.01 0.00 -2.93 0.00 0.00 61.98 57.80 1q86 s VAL 135 Cb 0.07 -1.58 0.05 0.00 -1.53 0.00 0.00 36.38 33.39 1q86 s VAL 135 CO 0.31 0.54 -0.08 0.00 -3.33 0.00 0.00 175.10 172.53 1q86 s ALA 136 N -0.52 2.63 -0.20 1.54 0.00 0.16 -3.25 121.76 122.12 1q86 s ALA 136 Ca 0.08 -1.64 -0.23 0.00 0.00 0.00 0.00 51.96 50.17 1q86 s ALA 136 Cb -0.10 -1.65 -0.02 0.00 0.00 0.00 0.00 23.12 21.36 1q86 s ALA 136 CO -0.00 -1.04 0.74 0.08 0.00 0.00 0.00 175.76 175.54 1q86 s VAL 137 N 1.21 4.93 -0.04 0.00 1.01 -0.88 0.07 120.40 126.71 1q86 s VAL 137 Ca -0.05 1.43 0.07 0.00 0.00 0.00 0.00 61.98 63.43 1q86 s VAL 137 Cb -0.18 -4.05 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 1q86 s VAL 137 CO -0.05 0.04 -0.24 -0.69 0.00 0.00 0.00 175.10 174.16 1q86 s VAL 138 N 2.18 1.96 -0.46 2.92 1.01 -0.19 -1.44 120.40 126.37 1q86 s VAL 138 Ca 0.33 -1.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.13 1q86 s VAL 138 Cb -0.16 -1.64 0.07 0.00 0.00 0.00 0.00 36.38 34.64 1q86 s VAL 138 CO 0.11 0.55 0.38 -0.75 0.00 0.00 0.00 175.10 175.39 1q86 s LYS 139 N -0.34 2.98 0.79 2.72 2.20 0.29 -0.30 119.74 128.08 1q86 s LYS 139 Ca 0.03 -1.30 -0.11 0.00 -0.36 0.00 0.00 55.97 54.22 1q86 s LYS 139 Cb -0.12 -4.11 0.07 0.00 -1.51 0.00 0.00 37.83 32.16 1q86 s LYS 139 CO 0.01 -0.99 1.09 -0.51 -0.36 0.00 0.00 175.35 174.59 1q86 s LEU 140 N 1.65 2.77 0.65 5.43 1.43 -0.62 -1.45 118.68 128.55 1q86 s LEU 140 Ca 0.04 1.59 0.33 0.00 -1.03 0.00 0.00 54.13 55.06 1q86 s LEU 140 Cb -0.24 -4.24 1.78 0.00 0.03 0.00 0.00 46.19 43.53 1q86 s LEU 140 CO 0.07 -2.05 2.03 1.55 0.23 0.00 0.00 176.35 178.19 1q86 h PRO 141 N -1.14 0.00 0.00 1.29 0.13 -1.90 0.29 132.00 130.68 1q86 h PRO 141 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1q86 h PRO 141 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1q86 h PRO 141 CO 0.55 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.19 1q86 n SER 142 N -3.12 0.37 0.00 1.44 3.41 -1.26 -4.86 113.62 109.60 1q86 n SER 142 Ca -0.01 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 1q86 n SER 142 Cb 0.34 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1q86 n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1q86 n GLY 143 N 0.70 0.23 3.78 5.00 0.00 0.10 -5.07 105.19 109.94 1q86 n GLY 143 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 1q86 n GLY 143 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1q86 s GLU 144 N -0.95 3.18 -0.48 1.61 2.12 -1.25 -4.78 118.70 118.15 1q86 s GLU 144 Ca 0.00 1.36 -0.14 0.00 0.36 0.00 0.00 54.97 56.55 1q86 s GLU 144 Cb 0.00 -2.00 0.09 0.00 0.26 0.00 0.00 34.13 32.48 1q86 s GLU 144 CO 0.00 -0.95 0.39 -1.64 -0.54 0.00 0.00 175.26 172.53 1q86 s MET 145 N -3.86 2.88 -0.28 4.30 -1.94 -1.26 -1.59 119.30 117.55 1q86 s MET 145 Ca 0.67 -1.49 -0.12 0.00 -1.71 0.00 0.00 55.69 53.04 1q86 s MET 145 Cb -0.19 -4.10 -0.05 0.00 2.01 0.00 0.00 34.83 32.51 1q86 s MET 145 CO 0.35 -1.10 0.23 0.21 -0.01 0.00 0.00 175.02 174.69 1q86 s LYS 146 N 1.57 3.97 -0.22 2.03 2.47 0.59 -4.93 119.74 125.22 1q86 s LYS 146 Ca 0.04 -0.25 -0.27 0.00 -1.56 0.00 0.00 55.97 53.93 1q86 s LYS 146 Cb -0.26 -3.66 0.00 0.00 -1.46 0.00 0.00 37.83 32.46 1q86 s LYS 146 CO 0.04 -0.19 0.94 1.03 0.16 0.00 0.00 175.35 177.33 1q86 s ARG 147 N 1.81 4.25 0.13 4.03 0.52 -1.26 -1.03 118.95 127.40 1q86 s ARG 147 Ca 0.09 1.18 0.08 0.00 -0.52 0.00 0.00 55.73 56.56 1q86 s ARG 147 Cb -0.16 -3.63 -0.04 0.00 0.52 0.00 0.00 34.95 31.64 1q86 s ARG 147 CO 0.11 -0.54 -0.19 -0.51 0.02 0.00 0.00 175.30 174.19 1q86 s LEU 148 N 2.89 2.37 0.02 2.53 1.43 0.11 -4.92 118.68 123.12 1q86 s LEU 148 Ca 0.40 -0.78 -0.30 0.00 -1.03 0.00 0.00 54.13 52.42 1q86 s LEU 148 Cb -0.15 -0.83 -0.07 0.00 0.03 0.00 0.00 46.19 45.16 1q86 s LEU 148 CO 0.08 -0.00 1.67 -0.62 0.23 0.00 0.00 176.35 177.71 1q86 s ASP 149 N -2.31 6.62 0.06 2.29 -1.08 -1.26 0.37 116.67 121.36 1q86 s ASP 149 Ca 0.11 2.40 0.03 0.00 -0.52 0.00 0.00 52.55 54.58 1q86 s ASP 149 Cb -0.08 -2.55 0.19 0.00 -1.46 0.00 0.00 42.92 39.02 1q86 s ASP 149 CO 0.05 -0.91 1.03 -0.81 0.52 0.00 0.00 175.17 175.05 1q86 n PRO 150 N 6.28 0.02 0.16 4.34 -0.04 -1.26 -0.57 135.00 143.93 1q86 n PRO 150 Ca 0.17 0.45 0.13 0.00 -0.04 0.00 0.00 63.50 64.20 1q86 n PRO 150 Cb 0.41 -1.67 0.30 0.00 -0.04 0.00 0.00 33.50 32.51 1q86 n PRO 150 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1q86 h GLN 151 N 0.00 0.00 -6.47 0.54 5.75 -1.93 -1.25 115.11 111.76 1q86 h GLN 151 Ca 0.00 0.00 -0.53 0.00 -0.15 0.00 0.00 58.65 57.97 1q86 h GLN 151 Cb 0.18 0.00 0.03 0.00 1.07 0.00 0.00 27.48 28.76 1q86 h GLN 151 CO 0.00 0.00 1.03 0.00 -2.65 0.00 0.00 178.83 177.21 1q86 s ARG 153 N 2.67 3.75 0.22 0.00 0.52 -1.26 -0.30 118.95 124.55 1q86 s ARG 153 Ca 0.76 1.08 -0.12 0.00 -0.52 0.00 0.00 55.73 56.92 1q86 s ARG 153 Cb -0.41 -2.10 -0.00 0.00 0.52 0.00 0.00 34.95 32.95 1q86 s ARG 153 CO 0.33 -0.44 0.43 0.00 0.02 0.00 0.00 175.30 175.65 1q86 s ALA 154 N -2.49 -0.25 -0.09 2.13 0.00 -1.11 -2.39 121.76 117.56 1q86 s ALA 154 Ca 0.61 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.78 1q86 s ALA 154 Cb -0.12 1.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.98 1q86 s ALA 154 CO 0.31 -0.80 -0.13 0.99 0.00 0.00 0.00 175.76 176.13 1q86 s THR 155 N -3.99 3.12 0.11 0.00 2.01 -0.41 -1.48 115.64 115.00 1q86 s THR 155 Ca 0.20 -0.67 -0.30 0.00 0.31 0.00 0.00 61.69 61.23 1q86 s THR 155 Cb 0.00 -2.27 -0.06 0.00 0.01 0.00 0.00 72.50 70.19 1q86 s THR 155 CO 0.06 0.56 1.03 -0.63 -0.69 0.00 0.00 174.62 174.95 1q86 s ILE 156 N -0.22 4.31 0.00 1.82 1.01 -0.64 0.07 121.20 127.55 1q86 s ILE 156 Ca 0.01 1.86 0.00 0.00 0.00 0.00 0.00 60.65 62.52 1q86 s ILE 156 Cb -0.13 -4.19 0.00 0.00 0.01 0.00 0.00 42.46 38.15 1q86 s ILE 156 CO 0.03 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.84 1q86 n GLY 157 N 2.40 1.03 3.86 6.18 0.00 -0.12 -1.22 105.19 117.32 1q86 n GLY 157 Ca 0.04 -2.22 -0.28 0.00 0.00 0.00 0.00 46.02 43.55 1q86 n GLY 157 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1q86 s VAL 158 N -1.23 4.95 0.47 1.61 -7.23 -1.26 -3.17 120.40 114.55 1q86 s VAL 158 Ca 0.00 -0.72 -0.24 0.00 -1.81 0.00 0.00 61.98 59.20 1q86 s VAL 158 Cb 0.00 -3.47 -0.08 0.00 0.56 0.00 0.00 36.38 33.39 1q86 s VAL 158 CO 0.00 0.02 1.34 0.52 -0.31 0.00 0.00 175.10 176.67 1q86 n VAL 159 N -0.04 3.01 -0.70 1.32 0.31 -0.86 0.60 118.33 121.98 1q86 n VAL 159 Ca -0.07 -0.50 -0.29 0.00 -0.01 0.00 0.00 64.34 63.46 1q86 n VAL 159 Cb 0.53 -1.68 0.25 0.00 -0.91 0.00 0.00 33.84 32.03 1q86 n VAL 159 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1q86 s GLY 160 N -0.63 1.51 -1.40 2.92 0.00 -0.69 -2.15 107.32 106.87 1q86 s GLY 160 Ca 0.64 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.75 1q86 s GLY 160 CO 0.55 0.24 0.00 0.61 0.00 0.00 0.00 173.10 174.50 1q86 n GLY 161 N 0.32 1.18 3.53 0.20 0.00 -1.26 -1.49 105.19 107.67 1q86 n GLY 161 Ca 0.09 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 1q86 n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q86 n GLY 162 N -1.26 -1.23 2.49 -0.02 0.00 -1.26 -3.45 105.19 100.46 1q86 n GLY 162 Ca -0.14 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1q86 n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q86 n GLY 163 N 1.02 0.69 0.31 -0.02 0.00 -1.26 -4.87 105.19 101.05 1q86 n GLY 163 Ca 0.09 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.13 1q86 n GLY 163 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1q86 h ARG 164 N 1.79 0.80 0.00 1.61 2.43 -1.89 -1.62 114.38 117.50 1q86 h ARG 164 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1q86 h ARG 164 Cb 0.03 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1q86 h ARG 164 CO 0.00 0.53 0.00 2.41 -1.51 0.00 0.00 179.97 181.40 1q86 n THR 165 N -4.71 1.30 0.18 0.20 -1.04 -1.26 -3.33 114.28 105.62 1q86 n THR 165 Ca 0.13 0.42 0.03 0.00 -2.04 0.00 0.00 64.05 62.59 1q86 n THR 165 Cb 0.24 -1.33 0.32 0.00 -1.82 0.00 0.00 70.33 67.74 1q86 n THR 165 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1q86 h ASP 166 N 0.00 0.00 -3.12 8.00 3.32 -1.70 -3.43 116.42 119.49 1q86 h ASP 166 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 1q86 h ASP 166 Cb 0.14 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.60 1q86 h ASP 166 CO 0.00 0.43 -0.42 -0.75 -1.72 0.00 0.00 179.24 176.78 1q86 s LYS 167 N -3.77 4.02 0.47 3.56 2.20 -1.21 -5.08 119.74 119.93 1q86 s LYS 167 Ca -0.01 -0.06 -0.20 0.00 -0.36 0.00 0.00 55.97 55.34 1q86 s LYS 167 Cb 0.12 -3.36 -0.09 0.00 -1.51 0.00 0.00 37.83 33.00 1q86 s LYS 167 CO 0.71 0.42 1.01 -1.25 -0.36 0.00 0.00 175.35 175.88 1q86 s PRO 168 N -0.02 3.92 0.56 4.03 0.04 -1.26 -4.92 135.00 137.35 1q86 s PRO 168 Ca 0.13 1.29 0.33 0.00 0.04 0.00 0.00 61.00 62.80 1q86 s PRO 168 Cb -0.12 -2.12 1.64 0.00 0.04 0.00 0.00 34.50 33.94 1q86 s PRO 168 CO 0.02 -0.32 2.11 0.74 0.04 0.00 0.00 177.00 179.59 1q86 h PHE 169 N 1.65 0.00 0.00 0.56 -1.00 -1.98 -3.45 116.94 112.72 1q86 h PHE 169 Ca -0.49 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.29 1q86 h PHE 169 Cb 1.21 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.77 1q86 h PHE 169 CO 0.58 0.06 0.00 0.28 -1.61 0.00 0.00 178.31 177.62 1q86 n VAL 170 N -3.33 0.00 -4.08 -0.55 0.31 -1.26 -4.63 118.33 104.79 1q86 n VAL 170 Ca -0.01 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.18 1q86 n VAL 170 Cb 0.23 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.04 1q86 n VAL 170 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 1q86 s LYS 171 N 0.00 0.57 0.28 5.55 -2.85 -1.26 -5.05 119.74 116.98 1q86 s LYS 171 Ca 0.00 -0.77 -0.00 0.00 -1.00 0.00 0.00 55.97 54.19 1q86 s LYS 171 Cb 0.00 -0.38 0.64 0.00 -2.06 0.00 0.00 37.83 36.03 1q86 s LYS 171 CO 0.00 0.07 1.65 0.00 0.10 0.00 0.00 175.35 177.18 1q86 h ALA 172 N 4.50 1.17 -0.86 0.59 0.00 -2.01 -0.58 119.26 122.08 1q86 h ALA 172 Ca -0.36 0.21 0.17 0.00 0.00 0.00 0.00 54.91 54.93 1q86 h ALA 172 Cb 1.20 0.31 -0.10 0.00 0.00 0.00 0.00 17.79 19.19 1q86 h ALA 172 CO 0.41 -0.43 0.43 0.78 0.00 0.00 0.00 179.25 180.44 1q86 h GLY 173 N 0.22 1.43 1.07 0.00 0.00 -1.96 0.17 103.07 104.00 1q86 h GLY 173 Ca 0.51 -0.23 -0.08 0.00 0.00 0.00 0.00 47.33 47.53 1q86 h GLY 173 CO -0.63 -0.10 0.09 3.43 0.00 0.00 0.00 176.54 179.34 1q86 h ASN 174 N 0.57 1.07 -0.23 0.19 2.35 -1.36 -1.96 115.58 116.20 1q86 h ASN 174 Ca 0.49 -0.27 -0.01 0.00 -0.55 0.00 0.00 56.30 55.97 1q86 h ASN 174 Cb 0.76 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1q86 h ASN 174 CO -0.41 1.06 0.12 0.50 -1.65 0.00 0.00 177.43 177.06 1q86 h LYS 175 N 1.03 0.33 -0.57 0.81 3.11 -1.13 -2.71 116.57 117.43 1q86 h LYS 175 Ca 0.20 -0.04 0.06 0.00 -2.81 0.00 0.00 60.65 58.06 1q86 h LYS 175 Cb 0.46 -0.06 -0.09 0.00 -1.00 0.00 0.00 32.23 31.54 1q86 h LYS 175 CO 0.02 0.32 -0.56 1.25 -2.81 0.00 0.00 179.45 177.66 1q86 h HIS 176 N 0.26 -1.75 -0.69 1.91 2.76 -0.23 0.20 115.15 117.61 1q86 h HIS 176 Ca 0.08 0.10 0.07 0.00 -2.20 0.00 0.00 60.37 58.41 1q86 h HIS 176 Cb 0.09 0.84 -0.04 0.00 1.55 0.00 0.00 27.41 29.85 1q86 h HIS 176 CO -0.03 -0.46 0.45 0.45 -1.30 0.00 0.00 177.93 177.05 1q86 h HIS 177 N -0.29 0.71 0.06 5.26 3.86 -1.29 -1.66 115.15 121.80 1q86 h HIS 177 Ca 0.10 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1q86 h HIS 177 Cb 0.55 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1q86 h HIS 177 CO -0.81 0.37 -0.03 -0.22 0.86 0.00 0.00 177.93 178.10 1q86 h LYS 178 N 0.70 -0.08 -0.91 2.45 3.64 -0.84 -3.23 116.57 118.29 1q86 h LYS 178 Ca 0.30 0.01 0.19 0.00 -1.27 0.00 0.00 60.65 59.88 1q86 h LYS 178 Cb 0.28 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.05 1q86 h LYS 178 CO -0.10 0.40 0.60 0.52 -2.27 0.00 0.00 179.45 178.60 1q86 h MET 179 N -0.61 0.46 0.00 1.90 2.86 -0.23 0.46 114.93 119.78 1q86 h MET 179 Ca -0.01 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1q86 h MET 179 Cb 0.52 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1q86 h MET 179 CO 0.01 0.30 0.00 1.17 1.06 0.00 0.00 176.91 179.46 1q86 n LYS 180 N -4.54 0.06 -0.60 1.72 4.81 -0.66 -1.90 118.16 117.06 1q86 n LYS 180 Ca 0.19 0.38 0.08 0.00 -0.87 0.00 0.00 58.31 58.09 1q86 n LYS 180 Cb 0.66 -1.64 0.31 0.00 0.02 0.00 0.00 35.03 34.38 1q86 n LYS 180 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1q86 n ALA 181 N -1.60 3.28 -2.25 3.14 0.00 0.15 -4.77 120.51 118.47 1q86 n ALA 181 Ca 0.02 -2.14 -0.14 0.00 0.00 0.00 0.00 53.44 51.18 1q86 n ALA 181 Cb 0.14 -0.85 -0.10 0.00 0.00 0.00 0.00 19.45 18.64 1q86 n ALA 181 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1q86 s ARG 182 N -2.75 1.17 -1.23 0.00 1.81 -0.80 -4.69 118.95 112.47 1q86 s ARG 182 Ca 0.46 -1.58 -0.13 0.00 -1.72 0.00 0.00 55.73 52.76 1q86 s ARG 182 Cb 0.36 -0.19 0.17 0.00 -0.45 0.00 0.00 34.95 34.84 1q86 s ARG 182 CO 0.12 -0.20 1.52 0.41 -0.68 0.00 0.00 175.30 176.47 1q86 n GLY 183 N -0.28 3.55 3.36 -3.53 0.00 -1.26 -4.55 105.19 102.48 1q86 n GLY 183 Ca -0.04 -2.00 -0.15 0.00 0.00 0.00 0.00 46.02 43.83 1q86 n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q86 s THR 184 N 1.51 0.02 -0.20 2.61 2.01 -1.25 -4.81 115.64 115.52 1q86 s THR 184 Ca 0.43 -0.20 -0.17 0.00 0.31 0.00 0.00 61.69 62.06 1q86 s THR 184 Cb -0.01 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.73 1q86 s THR 184 CO 0.01 -0.11 0.45 -0.75 -0.69 0.00 0.00 174.62 173.53 1q86 s LYS 185 N -0.79 4.17 -0.03 4.92 2.47 -1.26 -4.89 119.74 124.34 1q86 s LYS 185 Ca -0.09 0.29 -0.13 0.00 -1.56 0.00 0.00 55.97 54.49 1q86 s LYS 185 Cb -0.03 -3.56 0.02 0.00 -1.46 0.00 0.00 37.83 32.80 1q86 s LYS 185 CO 0.05 -0.10 0.28 -0.46 0.16 0.00 0.00 175.35 175.27 1q86 s TRP 186 N 1.51 -0.17 0.77 4.03 -0.00 -1.26 -4.73 118.94 119.09 1q86 s TRP 186 Ca 0.21 0.28 -0.13 0.00 -0.00 0.00 0.00 56.10 56.47 1q86 s TRP 186 Cb -0.15 0.08 0.19 0.00 -0.00 0.00 0.00 33.47 33.59 1q86 s TRP 186 CO 0.09 -0.34 0.68 -0.35 -0.00 0.00 0.00 176.95 177.03 1q86 n PRO 187 N 1.56 -2.38 -4.22 5.86 -0.04 -1.26 -5.11 135.00 129.41 1q86 n PRO 187 Ca -0.20 -1.09 -0.34 0.00 -0.04 0.00 0.00 63.50 61.83 1q86 n PRO 187 Cb 0.56 -1.03 -0.15 0.00 -0.04 0.00 0.00 33.50 32.85 1q86 n PRO 187 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1q86 s ASN 188 N -3.34 3.80 -0.06 3.54 0.01 -1.26 -5.10 114.94 112.52 1q86 s ASN 188 Ca 0.44 -0.47 -0.13 0.00 -0.71 0.00 0.00 52.86 51.99 1q86 s ASN 188 Cb -0.04 -1.61 -0.05 0.00 0.41 0.00 0.00 41.25 39.95 1q86 s ASN 188 CO 0.34 0.03 0.33 -0.69 -1.51 0.00 0.00 177.10 175.60 1q86 s VAL 189 N 1.13 5.20 0.20 1.60 1.01 -1.26 -5.06 120.40 123.22 1q86 s VAL 189 Ca 0.01 0.64 -0.30 0.00 0.00 0.00 0.00 61.98 62.33 1q86 s VAL 189 Cb -0.14 -3.63 -0.08 0.00 0.00 0.00 0.00 36.38 32.53 1q86 s VAL 189 CO -0.04 0.54 1.12 -0.13 0.00 0.00 0.00 175.10 176.59 1q86 s ARG 190 N -0.69 4.58 0.16 2.72 0.52 -1.26 -4.95 118.95 120.04 1q86 s ARG 190 Ca 0.20 1.76 -0.22 0.00 -0.52 0.00 0.00 55.73 56.96 1q86 s ARG 190 Cb -0.15 -3.25 0.07 0.00 0.52 0.00 0.00 34.95 32.13 1q86 s ARG 190 CO 0.09 0.07 1.61 0.78 0.02 0.00 0.00 175.30 177.88 1q86 h GLY 191 N 4.89 -0.15 0.94 -3.53 0.00 -1.97 0.21 103.07 103.47 1q86 h GLY 191 Ca -0.45 0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1q86 h GLY 191 CO 0.72 -0.21 0.01 -0.62 0.00 0.00 0.00 176.54 176.44 1q86 n VAL 192 N -5.40 0.22 0.67 4.60 0.31 -1.26 0.65 118.33 118.11 1q86 n VAL 192 Ca 0.01 0.07 0.08 0.00 -0.01 0.00 0.00 64.34 64.48 1q86 n VAL 192 Cb 0.32 -1.07 0.04 0.00 -0.91 0.00 0.00 33.84 32.23 1q86 n VAL 192 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1q86 n ALA 193 N -0.98 2.72 -2.93 3.52 0.00 0.74 -4.56 120.51 119.01 1q86 n ALA 193 Ca 0.00 -0.59 -0.17 0.00 0.00 0.00 0.00 53.44 52.69 1q86 n ALA 193 Cb 0.01 -0.54 0.05 0.00 0.00 0.00 0.00 19.45 18.97 1q86 n ALA 193 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1q86 n MET 194 N 0.52 0.61 -3.26 0.00 2.81 0.21 -5.00 117.12 113.01 1q86 n MET 194 Ca 0.08 -2.10 -0.28 0.00 -1.81 0.00 0.00 57.70 53.59 1q86 n MET 194 Cb 0.37 -0.22 -0.03 0.00 -0.71 0.00 0.00 33.22 32.63 1q86 n MET 194 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1q86 s ASN 195 N -3.54 6.43 0.19 7.83 0.01 -1.26 -2.28 114.94 122.32 1q86 s ASN 195 Ca 0.43 0.74 -0.19 0.00 -0.71 0.00 0.00 52.86 53.13 1q86 s ASN 195 Cb -0.03 -2.15 0.14 0.00 0.41 0.00 0.00 41.25 39.62 1q86 s ASN 195 CO 0.27 -0.24 1.61 0.00 -1.51 0.00 0.00 177.10 177.23 1q86 h ALA 196 N 1.49 0.09 -1.12 0.60 0.00 -1.81 0.92 119.26 119.43 1q86 h ALA 196 Ca -0.48 0.17 0.32 0.00 0.00 0.00 0.00 54.91 54.92 1q86 h ALA 196 Cb 1.19 0.62 -0.06 0.00 0.00 0.00 0.00 17.79 19.54 1q86 h ALA 196 CO 0.65 -0.59 0.78 -0.24 0.00 0.00 0.00 179.25 179.85 1q86 h VAL 197 N -0.13 0.45 0.00 0.00 3.04 -1.94 -2.55 116.25 115.12 1q86 h VAL 197 Ca 0.24 -0.04 -0.01 0.00 -1.01 0.00 0.00 66.70 65.87 1q86 h VAL 197 Cb 0.51 0.31 -0.00 0.00 -2.01 0.00 0.00 31.29 30.09 1q86 h VAL 197 CO -0.61 0.02 -1.11 0.47 -1.01 0.00 0.00 177.57 175.33 1q86 n ASP 198 N -4.34 0.79 -3.63 3.17 8.00 0.30 -1.36 116.55 119.46 1q86 n ASP 198 Ca 0.25 0.31 -0.11 0.00 0.71 0.00 0.00 54.79 55.95 1q86 n ASP 198 Cb 1.11 0.54 -0.07 0.00 -0.02 0.00 0.00 41.12 42.68 1q86 n ASP 198 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1q86 s HIS 199 N -3.34 -0.86 -0.23 1.24 2.46 -0.96 -4.47 115.29 109.13 1q86 s HIS 199 Ca -0.01 1.92 0.07 0.00 0.47 0.00 0.00 55.06 57.50 1q86 s HIS 199 Cb 0.10 0.41 0.36 0.00 -0.13 0.00 0.00 32.58 33.32 1q86 s HIS 199 CO 0.80 -0.42 1.04 -0.35 -2.47 0.00 0.00 174.74 173.34 1q86 n PRO 200 N 3.27 0.05 0.00 2.88 -0.04 -1.26 0.11 135.00 140.01 1q86 n PRO 200 Ca -0.16 0.43 0.09 0.00 -0.04 0.00 0.00 63.50 63.82 1q86 n PRO 200 Cb 0.57 -1.93 -0.09 0.00 -0.04 0.00 0.00 33.50 32.00 1q86 n PRO 200 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1q86 n PHE 201 N -1.69 0.00 -1.20 0.54 0.99 -1.26 -4.41 117.46 110.43 1q86 n PHE 201 Ca -0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.15 1q86 n PHE 201 Cb 0.29 0.00 0.13 0.00 -1.00 0.00 0.00 39.48 38.91 1q86 n PHE 201 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 1q86 s GLY 202 N -2.76 1.62 0.00 1.37 0.00 0.30 -4.18 107.32 103.68 1q86 s GLY 202 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.79 1q86 s GLY 202 CO 0.76 0.45 0.00 0.61 0.00 0.00 0.00 173.10 174.92 1q86 n GLY 203 N -1.10 0.18 0.00 0.20 0.00 -0.97 -3.87 105.19 99.64 1q86 n GLY 203 Ca 0.07 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1q86 n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q86 n GLY 204 N 0.23 2.18 0.10 -0.02 0.00 -1.26 -4.73 105.19 101.68 1q86 n GLY 204 Ca 0.00 -1.92 0.12 0.00 0.00 0.00 0.00 46.02 44.22 1q86 n GLY 204 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1q86 h GLY 205 N 0.00 0.00 -2.97 -0.02 0.00 -2.00 -3.46 103.07 94.62 1q86 h GLY 205 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 1q86 h GLY 205 CO 0.00 0.00 -0.69 1.09 0.00 0.00 0.00 176.54 176.94 1q86 s ARG 206 N -3.19 0.88 -0.19 4.80 1.70 -1.26 -5.13 118.95 116.56 1q86 s ARG 206 Ca 0.06 -1.37 -0.25 0.00 -0.47 0.00 0.00 55.73 53.70 1q86 s ARG 206 Cb 0.12 -0.24 -0.01 0.00 -0.57 0.00 0.00 34.95 34.25 1q86 s ARG 206 CO 0.71 -0.03 0.83 -0.65 -1.08 0.00 0.00 175.30 175.07 1q86 s GLN 207 N -3.84 4.26 -0.22 3.89 -0.21 -1.26 -4.98 119.66 117.30 1q86 s GLN 207 Ca 0.14 0.99 -0.31 0.00 0.02 0.00 0.00 55.36 56.20 1q86 s GLN 207 Cb 0.05 -3.59 0.16 0.00 1.00 0.00 0.00 33.01 30.63 1q86 s GLN 207 CO -0.03 -0.38 1.20 -3.38 -2.12 0.00 0.00 175.29 170.57 1q86 s HIS 208 N 2.35 -0.17 0.65 0.91 -3.43 -1.26 -5.12 115.29 109.22 1q86 s HIS 208 Ca 0.37 0.26 -0.16 0.00 -0.80 0.00 0.00 55.06 54.73 1q86 s HIS 208 Cb -0.16 0.48 -0.00 0.00 -1.43 0.00 0.00 32.58 31.47 1q86 s HIS 208 CO 0.11 -0.18 1.14 -1.25 -2.00 0.00 0.00 174.74 172.55 1q86 s PRO 209 N -1.37 2.75 -0.00 -0.38 0.04 -1.26 -4.89 135.00 129.88 1q86 s PRO 209 Ca 0.05 1.52 -0.23 0.00 0.04 0.00 0.00 61.00 62.38 1q86 s PRO 209 Cb -0.01 -1.93 -0.13 0.00 0.04 0.00 0.00 34.50 32.47 1q86 s PRO 209 CO -0.04 -1.32 0.98 0.78 0.04 0.00 0.00 177.00 177.44 1q86 h GLY 210 N 0.16 -0.82 0.00 0.56 0.00 -1.78 -3.47 103.07 97.72 1q86 h GLY 210 Ca -0.48 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1q86 h GLY 210 CO 0.54 -0.30 0.00 0.28 0.00 0.00 0.00 176.54 177.06 1q86 n LYS 211 N -5.31 2.33 -2.62 4.80 5.02 -1.26 -5.10 118.16 116.02 1q86 n LYS 211 Ca -0.10 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.82 1q86 n LYS 211 Cb 0.32 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.28 1q86 n LYS 211 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1q86 s PRO 212 N -0.36 4.38 0.42 1.97 0.04 -1.26 -4.97 135.00 135.21 1q86 s PRO 212 Ca 0.00 1.48 0.17 0.00 0.04 0.00 0.00 61.00 62.69 1q86 s PRO 212 Cb 0.00 -2.72 0.92 0.00 0.04 0.00 0.00 34.50 32.74 1q86 s PRO 212 CO 0.00 0.06 1.89 0.87 0.04 0.00 0.00 177.00 179.86 1q86 h LYS 213 N 2.91 0.00 -6.30 4.56 1.57 -1.95 -3.43 116.57 113.92 1q86 h LYS 213 Ca -0.48 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.74 1q86 h LYS 213 Cb 1.21 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 1q86 h LYS 213 CO 0.64 0.29 1.07 -1.12 -0.57 0.00 0.00 179.45 179.76 1q86 s SER 214 N -6.71 6.49 0.01 0.86 0.01 -1.26 -1.56 113.70 111.54 1q86 s SER 214 Ca -0.03 1.51 0.01 0.00 1.31 0.00 0.00 55.95 58.75 1q86 s SER 214 Cb 0.14 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.80 1q86 s SER 214 CO 0.69 -1.18 0.05 -0.51 0.41 0.00 0.00 173.24 172.70 1q86 s ILE 215 N 4.87 4.50 0.78 1.44 1.10 -0.55 -4.93 121.20 128.41 1q86 s ILE 215 Ca 0.66 -0.52 -0.14 0.00 -0.51 0.00 0.00 60.65 60.14 1q86 s ILE 215 Cb -0.22 -3.06 0.07 0.00 0.15 0.00 0.00 42.46 39.40 1q86 s ILE 215 CO 0.27 0.33 1.22 -0.24 -2.11 0.00 0.00 174.94 174.41 1q86 n SER 216 N 1.16 1.21 0.12 4.50 2.88 -1.26 -0.86 113.62 121.37 1q86 n SER 216 Ca -0.13 0.63 -0.01 0.00 -1.33 0.00 0.00 58.87 58.03 1q86 n SER 216 Cb 0.53 -1.52 0.24 0.00 -0.75 0.00 0.00 64.21 62.71 1q86 n SER 216 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1q86 h ARG 217 N -0.66 0.15 0.00 -1.46 2.47 -1.96 -2.84 114.38 110.08 1q86 h ARG 217 Ca -0.47 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.18 1q86 h ARG 217 Cb 1.31 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.63 1q86 h ARG 217 CO 0.47 0.56 0.00 0.09 0.56 0.00 0.00 179.97 181.65 1q86 n ASN 218 N -4.01 0.00 -4.61 7.04 3.02 -1.26 -4.88 115.26 110.56 1q86 n ASN 218 Ca -0.02 0.27 -0.42 0.00 -0.03 0.00 0.00 54.58 54.38 1q86 n ASN 218 Cb 0.49 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 1q86 n ASN 218 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1q86 n ALA 219 N -1.42 0.18 -1.98 5.41 0.00 -1.07 -4.95 120.51 116.68 1q86 n ALA 219 Ca 0.09 0.28 -0.30 0.00 0.00 0.00 0.00 53.44 53.51 1q86 n ALA 219 Cb 0.28 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.65 1q86 n ALA 219 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1q86 s PRO 220 N -1.87 3.64 0.23 0.00 0.04 -1.26 -4.70 135.00 131.07 1q86 s PRO 220 Ca 0.61 0.63 -0.30 0.00 0.04 0.00 0.00 61.00 61.98 1q86 s PRO 220 Cb -0.59 -2.17 -0.10 0.00 0.04 0.00 0.00 34.50 31.68 1q86 s PRO 220 CO 0.58 -0.42 1.40 -1.25 0.04 0.00 0.00 177.00 177.34 1q86 s PRO 221 N -4.88 4.31 0.00 0.56 0.04 -1.26 -1.17 135.00 132.59 1q86 s PRO 221 Ca 0.53 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.79 1q86 s PRO 221 Cb -0.11 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1q86 s PRO 221 CO 0.48 -0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.57 1q86 n GLY 222 N 2.29 1.19 0.00 0.56 0.00 -1.26 -4.78 105.19 103.19 1q86 n GLY 222 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1q86 n GLY 222 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1q86 n ARG 223 N -0.04 3.38 -2.68 1.61 0.63 -0.32 -4.72 116.66 114.52 1q86 n ARG 223 Ca 0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 1q86 n ARG 223 Cb 0.00 -0.73 -0.03 0.00 0.45 0.00 0.00 32.46 32.14 1q86 n ARG 223 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1q86 s LYS 224 N -1.45 3.29 0.21 -0.14 2.20 -0.56 -4.90 119.74 118.39 1q86 s LYS 224 Ca 0.00 -0.74 -0.08 0.00 -0.36 0.00 0.00 55.97 54.78 1q86 s LYS 224 Cb 0.00 -4.51 -0.02 0.00 -1.51 0.00 0.00 37.83 31.80 1q86 s LYS 224 CO 0.00 -2.03 0.32 0.14 -0.36 0.00 0.00 175.35 173.42 1q86 s VAL 225 N 4.79 0.02 0.00 4.02 -7.23 -1.26 -4.99 120.40 115.75 1q86 s VAL 225 Ca 0.33 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 58.92 1q86 s VAL 225 Cb -0.09 -2.19 0.00 0.00 0.56 0.00 0.00 36.38 34.66 1q86 s VAL 225 CO 0.06 -0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.38 1q86 n GLY 226 N -0.30 0.29 3.51 2.32 0.00 -1.26 -4.53 105.19 105.22 1q86 n GLY 226 Ca -0.02 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 1q86 n GLY 226 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1q86 s ASP 227 N -4.00 6.40 0.06 1.61 1.01 -0.60 -4.94 116.67 116.20 1q86 s ASP 227 Ca 0.00 -1.30 -0.30 0.00 0.71 0.00 0.00 52.55 51.66 1q86 s ASP 227 Cb 0.00 -2.50 -0.08 0.00 1.01 0.00 0.00 42.92 41.35 1q86 s ASP 227 CO 0.00 -1.46 1.73 -0.63 0.21 0.00 0.00 175.17 175.03 1q86 s ILE 228 N 4.40 3.03 -1.40 0.77 1.01 -1.26 -1.49 121.20 126.25 1q86 s ILE 228 Ca 0.36 0.37 -0.14 0.00 0.00 0.00 0.00 60.65 61.24 1q86 s ILE 228 Cb -0.06 -3.24 0.14 0.00 0.01 0.00 0.00 42.46 39.31 1q86 s ILE 228 CO -0.01 -0.01 0.35 0.00 0.00 0.00 0.00 174.94 175.27 1q86 n ALA 229 N 6.15 -1.15 -1.68 9.38 0.00 -0.04 -4.79 120.51 128.37 1q86 n ALA 229 Ca 0.17 -0.20 -0.45 0.00 0.00 0.00 0.00 53.44 52.96 1q86 n ALA 229 Cb 0.40 -1.62 -0.04 0.00 0.00 0.00 0.00 19.45 18.19 1q86 n ALA 229 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1q86 n SER 230 N -1.84 3.39 0.06 0.00 3.41 -1.22 -4.85 113.62 112.57 1q86 n SER 230 Ca 0.01 1.07 0.13 0.00 -0.26 0.00 0.00 58.87 59.82 1q86 n SER 230 Cb 0.40 -1.47 0.47 0.00 -0.26 0.00 0.00 64.21 63.35 1q86 n SER 230 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1q86 n LYS 231 N 3.71 0.16 0.00 4.33 5.02 -1.26 -4.91 118.16 125.21 1q86 n LYS 231 Ca 0.17 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 1q86 n LYS 231 Cb 0.31 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 1q86 n LYS 231 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1q86 n ARG 232 N -1.95 0.00 -4.29 1.97 1.85 -1.26 -5.19 116.66 107.79 1q86 n ARG 232 Ca 0.06 0.00 -0.18 0.00 -1.00 0.00 0.00 57.85 56.73 1q86 n ARG 232 Cb 0.39 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.72 1q86 n ARG 232 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1q86 s THR 233 N -2.00 0.12 0.00 8.89 -4.23 -1.26 -5.11 115.64 112.05 1q86 s THR 233 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1q86 s THR 233 Cb 0.00 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.35 1q86 s THR 233 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1q86 n GLY 234 N -0.55 -1.38 0.00 3.99 0.00 -1.26 -4.69 105.19 101.29 1q86 n GLY 234 Ca 0.04 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1q86 n GLY 234 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q86 n ARG 235 N -0.13 1.75 -1.60 1.61 1.74 -1.26 -5.08 116.66 113.69 1q86 n ARG 235 Ca 0.00 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.71 1q86 n ARG 235 Cb 0.00 -0.87 0.06 0.00 -1.02 0.00 0.00 32.46 30.63 1q86 n ARG 235 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q86 n GLY 236 N 1.93 -0.28 3.87 -0.13 0.00 -1.26 -5.30 105.19 104.02 1q86 n GLY 236 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1q86 n GLY 236 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93