#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2v49 s LYS 2 N 0.00 0.20 -1.12 2.12 3.01 -1.26 -5.05 119.74 117.64 2v49 s LYS 2 Ca 0.00 -0.34 -0.07 0.00 -1.01 0.00 0.00 55.97 54.56 2v49 s LYS 2 Cb 0.00 -1.13 0.28 0.00 -1.01 0.00 0.00 37.83 35.97 2v49 s LYS 2 CO 0.00 -0.95 1.41 2.41 0.51 0.00 0.00 175.35 178.73 2v49 n THR 3 N 5.27 4.95 0.00 2.17 -1.04 -1.26 -4.88 114.28 119.50 2v49 n THR 3 Ca -0.05 -5.54 0.00 0.00 -2.04 0.00 0.00 64.05 56.41 2v49 n THR 3 Cb 0.44 -2.28 0.00 0.00 -1.82 0.00 0.00 70.33 66.67 2v49 n THR 3 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2v49 n TYR 4 N 2.25 0.00 -3.22 -1.42 4.02 -1.26 -4.77 117.16 112.76 2v49 n TYR 4 Ca 0.27 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.77 2v49 n TYR 4 Cb 0.36 -0.37 -0.06 0.00 -0.02 0.00 0.00 39.34 39.24 2v49 n TYR 4 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2v49 s VAL 5 N 2.81 5.11 0.00 -0.72 1.01 -1.26 -5.02 120.40 122.32 2v49 s VAL 5 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 61.98 63.02 2v49 s VAL 5 Cb 0.00 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2v49 s VAL 5 CO 0.00 0.21 0.00 -0.81 0.00 0.00 0.00 175.10 174.50 2v49 n PRO 6 N 4.45 0.81 -4.09 2.72 -0.04 -1.26 -5.14 135.00 132.45 2v49 n PRO 6 Ca -0.04 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.31 2v49 n PRO 6 Cb 0.51 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.88 2v49 n PRO 6 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2v49 s LYS 7 N -1.90 1.23 -0.16 0.54 1.02 -1.26 -5.03 119.74 114.17 2v49 s LYS 7 Ca 0.00 -1.41 -0.01 0.00 0.02 0.00 0.00 55.97 54.57 2v49 s LYS 7 Cb 0.00 0.34 -0.05 0.00 -0.52 0.00 0.00 37.83 37.59 2v49 s LYS 7 CO 0.00 -0.44 0.58 1.04 -0.92 0.00 0.00 175.35 175.62 2v49 n GLN 8 N -0.26 0.00 0.00 1.68 6.02 -1.26 -4.83 117.38 118.73 2v49 n GLN 8 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2v49 n GLN 8 Cb 0.64 -0.40 0.00 0.00 1.02 0.00 0.00 30.24 31.50 2v49 n GLN 8 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2v49 n VAL 9 N 1.96 0.00 -3.91 5.09 0.31 -1.26 -5.10 118.33 115.43 2v49 n VAL 9 Ca 0.11 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.33 2v49 n VAL 9 Cb 0.14 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 32.96 2v49 n VAL 9 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2v49 s GLU 10 N 0.00 0.26 1.12 5.55 2.56 -1.26 -5.16 118.70 121.76 2v49 s GLU 10 Ca 0.00 -0.31 -0.19 0.00 0.00 0.00 0.00 54.97 54.48 2v49 s GLU 10 Cb 0.00 0.10 0.10 0.00 2.00 0.00 0.00 34.13 36.33 2v49 s GLU 10 CO 0.00 -0.05 0.01 -0.35 -0.56 0.00 0.00 175.26 174.32 2v49 n PRO 11 N 2.11 -1.58 -2.75 4.30 -0.04 -1.26 -5.01 135.00 130.78 2v49 n PRO 11 Ca -0.19 -0.44 -0.03 0.00 -0.04 0.00 0.00 63.50 62.79 2v49 n PRO 11 Cb 0.57 -1.70 0.07 0.00 -0.04 0.00 0.00 33.50 32.40 2v49 n PRO 11 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2v49 n ARG 12 N -2.07 1.47 -0.87 0.54 0.63 -1.26 -4.99 116.66 110.10 2v49 n ARG 12 Ca 0.01 -2.75 -0.40 0.00 -0.92 0.00 0.00 57.85 53.79 2v49 n ARG 12 Cb 0.62 -0.90 -0.07 0.00 0.45 0.00 0.00 32.46 32.56 2v49 n ARG 12 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 2v49 n TRP 13 N -0.72 0.83 -0.19 -0.14 7.02 -1.26 -4.44 117.44 118.54 2v49 n TRP 13 Ca 0.01 0.55 0.00 0.00 -1.02 0.00 0.00 57.50 57.03 2v49 n TRP 13 Cb 0.83 -1.46 0.00 0.00 -2.42 0.00 0.00 31.31 28.25 2v49 n TRP 13 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 2v49 n VAL 14 N 3.83 0.00 0.00 -0.99 0.31 -1.26 -3.09 118.33 117.14 2v49 n VAL 14 Ca 0.32 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.65 2v49 n VAL 14 Cb -0.03 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 2v49 n VAL 14 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2v49 n LEU 15 N 0.00 0.00 -3.69 7.52 -0.00 -0.99 -3.98 117.00 115.86 2v49 n LEU 15 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 56.01 55.78 2v49 n LEU 15 Cb 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 43.42 43.24 2v49 n LEU 15 CO 0.00 0.00 -0.35 -0.51 -0.00 0.00 0.00 177.39 176.53 2v49 s ILE 16 N 0.00 0.06 -0.09 1.96 2.07 -1.15 -0.30 121.20 123.75 2v49 s ILE 16 Ca 0.00 0.14 0.13 0.00 -1.41 0.00 0.00 60.65 59.51 2v49 s ILE 16 Cb 0.00 -0.41 0.20 0.00 0.13 0.00 0.00 42.46 42.38 2v49 s ILE 16 CO 0.00 0.06 1.09 -0.67 -1.91 0.00 0.00 174.94 173.51 2v49 n ASP 17 N 5.24 1.84 -1.22 4.50 4.64 -1.26 -2.36 116.55 127.93 2v49 n ASP 17 Ca -0.05 -2.72 0.00 0.00 -1.38 0.00 0.00 54.79 50.63 2v49 n ASP 17 Cb 0.50 -0.33 0.00 0.00 -1.04 0.00 0.00 41.12 40.24 2v49 n ASP 17 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2v49 n ALA 18 N -1.05 1.88 0.25 -1.67 0.00 -1.26 -3.95 120.51 114.71 2v49 n ALA 18 Ca 0.11 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.63 2v49 n ALA 18 Cb 0.60 -1.18 0.43 0.00 0.00 0.00 0.00 19.45 19.30 2v49 n ALA 18 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2v49 h GLU 19 N 1.89 0.00 0.00 0.00 -0.00 -1.84 0.27 114.58 114.89 2v49 h GLU 19 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2v49 h GLU 19 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.02 2v49 h GLU 19 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 179.01 179.42 2v49 n GLY 20 N -1.29 -0.18 3.87 1.06 0.00 -1.25 -3.81 105.19 103.59 2v49 n GLY 20 Ca -0.01 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 2v49 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2v49 s LYS 21 N -2.00 3.15 -0.13 1.61 1.02 0.94 -4.47 119.74 119.85 2v49 s LYS 21 Ca 0.08 -0.81 -0.34 0.00 0.02 0.00 0.00 55.97 54.92 2v49 s LYS 21 Cb 0.04 -2.76 -0.11 0.00 -0.52 0.00 0.00 37.83 34.47 2v49 s LYS 21 CO 0.06 0.47 1.92 2.41 -0.92 0.00 0.00 175.35 179.30 2v49 n THR 22 N -0.75 0.53 -0.46 2.17 -1.04 -1.26 -3.11 114.28 110.35 2v49 n THR 22 Ca -0.08 -0.14 -0.29 0.00 -2.04 0.00 0.00 64.05 61.50 2v49 n THR 22 Cb 0.56 -1.87 0.27 0.00 -1.82 0.00 0.00 70.33 67.47 2v49 n THR 22 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 2v49 s LEU 23 N 4.60 -0.05 0.00 -4.42 2.34 -1.23 0.41 118.68 120.33 2v49 s LEU 23 Ca 0.95 1.24 0.00 0.00 0.06 0.00 0.00 54.13 56.38 2v49 s LEU 23 Cb -0.70 -2.93 0.00 0.00 -0.56 0.00 0.00 46.19 42.00 2v49 s LEU 23 CO 0.51 -4.75 0.00 0.61 -1.06 0.00 0.00 176.35 171.67 2v49 n GLY 24 N 1.09 1.69 0.32 -3.48 0.00 -1.26 -3.50 105.19 100.05 2v49 n GLY 24 Ca 0.06 0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.27 2v49 n GLY 24 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2v49 h ARG 25 N 0.00 0.00 0.00 1.61 3.08 -1.90 1.90 114.38 119.07 2v49 h ARG 25 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2v49 h ARG 25 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 2v49 h ARG 25 CO 0.00 0.00 -0.15 1.25 -1.07 0.00 0.00 179.97 180.00 2v49 h LEU 26 N 0.00 0.00 -0.92 3.04 5.85 -0.08 -3.36 115.31 119.83 2v49 h LEU 26 Ca 0.13 -0.12 0.12 0.00 0.84 0.00 0.00 57.88 58.84 2v49 h LEU 26 Cb 0.52 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 41.42 2v49 h LEU 26 CO -0.00 0.64 -0.43 0.00 -0.34 0.00 0.00 178.44 178.31 2v49 n ALA 27 N -2.96 -0.29 -0.06 1.25 0.00 -0.37 -1.66 120.51 116.41 2v49 n ALA 27 Ca -0.04 0.87 0.00 0.00 0.00 0.00 0.00 53.44 54.27 2v49 n ALA 27 Cb 0.13 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.27 2v49 n ALA 27 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2v49 n THR 28 N -5.28 0.00 -0.10 0.00 -1.04 0.63 0.15 114.28 108.65 2v49 n THR 28 Ca 0.07 0.47 -0.06 0.00 -2.04 0.00 0.00 64.05 62.49 2v49 n THR 28 Cb 0.32 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 68.19 2v49 n THR 28 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2v49 h LYS 29 N 0.00 0.01 0.00 -2.82 1.57 -1.51 0.35 116.57 114.18 2v49 h LYS 29 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2v49 h LYS 29 Cb 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2v49 h LYS 29 CO 0.00 0.01 0.24 -0.89 -0.57 0.00 0.00 179.45 178.24 2v49 n ILE 30 N -5.26 1.04 -0.03 1.86 5.41 0.40 -1.03 119.36 121.75 2v49 n ILE 30 Ca 0.01 0.53 -0.03 0.00 1.00 0.00 0.00 62.75 64.26 2v49 n ILE 30 Cb 0.19 -1.53 -0.01 0.00 -0.71 0.00 0.00 39.64 37.58 2v49 n ILE 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2v49 n ALA 31 N -1.31 0.30 -0.29 -1.39 0.00 0.12 -2.58 120.51 115.35 2v49 n ALA 31 Ca -0.00 -0.40 0.10 0.00 0.00 0.00 0.00 53.44 53.14 2v49 n ALA 31 Cb 0.24 0.01 0.21 0.00 0.00 0.00 0.00 19.45 19.90 2v49 n ALA 31 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2v49 n THR 32 N -3.28 -0.35 0.07 0.00 -1.04 -0.60 0.23 114.28 109.32 2v49 n THR 32 Ca -0.05 1.85 -0.08 0.00 -2.04 0.00 0.00 64.05 63.74 2v49 n THR 32 Cb 0.18 -2.66 -0.09 0.00 -1.82 0.00 0.00 70.33 65.93 2v49 n THR 32 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2v49 h LEU 33 N 0.00 0.07 -0.98 -4.42 3.38 -1.29 -3.05 115.31 109.01 2v49 h LEU 33 Ca 0.47 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.42 2v49 h LEU 33 Cb 0.91 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.58 2v49 h LEU 33 CO -0.81 1.01 0.64 0.25 0.09 0.00 0.00 178.44 179.63 2v49 h LEU 34 N 0.02 1.05 0.00 1.67 7.12 0.32 -2.19 115.31 123.30 2v49 h LEU 34 Ca -0.03 -0.00 -0.21 0.00 0.13 0.00 0.00 57.88 57.77 2v49 h LEU 34 Cb 1.72 -0.23 0.02 0.00 -0.53 0.00 0.00 40.66 41.64 2v49 h LEU 34 CO 0.14 0.70 -0.02 -2.11 -0.13 0.00 0.00 178.44 177.02 2v49 n ARG 35 N -4.48 0.77 -3.42 1.25 1.85 0.10 -4.10 116.66 108.63 2v49 n ARG 35 Ca 0.14 -1.32 -0.43 0.00 -1.00 0.00 0.00 57.85 55.24 2v49 n ARG 35 Cb 0.12 -0.12 -0.09 0.00 -1.05 0.00 0.00 32.46 31.31 2v49 n ARG 35 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 2v49 s GLY 36 N -3.17 1.99 0.00 2.89 0.00 -0.15 -4.03 107.32 104.85 2v49 s GLY 36 Ca 0.26 -1.72 0.00 0.00 0.00 0.00 0.00 44.72 43.27 2v49 s GLY 36 CO 0.17 0.99 0.00 1.17 0.00 0.00 0.00 173.10 175.42 2v49 n LYS 37 N 5.26 2.29 -0.09 2.90 3.00 -1.18 -4.80 118.16 125.54 2v49 n LYS 37 Ca -0.10 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.12 2v49 n LYS 37 Cb 0.47 -0.19 -0.03 0.00 0.00 0.00 0.00 35.03 35.28 2v49 n LYS 37 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 2v49 n HIS 38 N 0.00 0.00 -2.30 5.64 1.44 -1.26 -4.86 115.22 113.88 2v49 n HIS 38 Ca 0.00 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.30 2v49 n HIS 38 Cb 0.00 -0.50 -0.03 0.00 0.12 0.00 0.00 29.99 29.59 2v49 n HIS 38 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 2v49 s ARG 39 N -2.89 3.25 -0.91 -1.40 3.00 -1.26 -4.91 118.95 113.82 2v49 s ARG 39 Ca -0.29 0.63 -0.24 0.00 -1.00 0.00 0.00 55.73 54.84 2v49 s ARG 39 Cb 0.04 -4.16 -0.20 0.00 0.00 0.00 0.00 34.95 30.64 2v49 s ARG 39 CO 0.42 -1.99 2.11 -0.35 0.00 0.00 0.00 175.30 175.49 2v49 n PRO 40 N 8.64 0.21 0.00 5.12 -0.04 -1.26 -3.74 135.00 143.93 2v49 n PRO 40 Ca 0.15 -1.27 0.00 0.00 -0.04 0.00 0.00 63.50 62.34 2v49 n PRO 40 Cb 0.49 -3.53 0.00 0.00 -0.04 0.00 0.00 33.50 30.42 2v49 n PRO 40 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2v49 n ASP 41 N 17.89 0.29 0.00 3.54 9.92 -1.26 -5.10 116.55 141.83 2v49 n ASP 41 Ca 0.40 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.66 2v49 n ASP 41 Cb 0.45 0.03 0.00 0.00 -0.64 0.00 0.00 41.12 40.96 2v49 n ASP 41 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 2v49 n TRP 42 N -0.51 0.00 -2.98 1.24 -0.00 -1.25 -4.73 117.44 109.22 2v49 n TRP 42 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.50 57.36 2v49 n TRP 42 Cb 0.02 0.00 0.02 0.00 -0.00 0.00 0.00 31.31 31.36 2v49 n TRP 42 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 2v49 n THR 43 N 0.00 -0.06 0.00 5.87 -1.04 -1.26 -5.04 114.28 112.75 2v49 n THR 43 Ca 0.00 -3.22 0.00 0.00 -2.04 0.00 0.00 64.05 58.79 2v49 n THR 43 Cb 0.00 0.51 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 2v49 n THR 43 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2v49 n PRO 44 N 0.28 0.00 0.00 -2.82 -0.01 -1.26 0.39 135.00 131.57 2v49 n PRO 44 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.65 2v49 n PRO 44 Cb 0.69 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 34.18 2v49 n PRO 44 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 175.50 175.76 2v49 n ASN 45 N -0.86 0.00 0.00 2.55 0.23 -1.26 -4.16 115.26 111.76 2v49 n ASN 45 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2v49 n ASN 45 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2v49 n ASN 45 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 2v49 n VAL 46 N -0.16 0.00 0.00 3.53 3.14 1.25 -5.07 118.33 121.02 2v49 n VAL 46 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2v49 n VAL 46 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2v49 n VAL 46 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2v49 n ALA 47 N -3.00 0.00 -2.06 1.55 0.00 -1.26 -5.04 120.51 110.70 2v49 n ALA 47 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 2v49 n ALA 47 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2v49 n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2v49 s MET 48 N 0.00 4.37 0.00 0.00 0.23 -1.26 -4.98 119.30 117.66 2v49 s MET 48 Ca 0.00 0.97 0.00 0.00 -1.03 0.00 0.00 55.69 55.63 2v49 s MET 48 Cb 0.00 -3.03 0.00 0.00 -1.53 0.00 0.00 34.83 30.27 2v49 s MET 48 CO 0.00 0.47 0.00 0.41 -2.03 0.00 0.00 175.02 173.87 2v49 n GLY 49 N 1.07 3.20 3.76 3.16 0.00 -1.26 -0.98 105.19 114.14 2v49 n GLY 49 Ca -0.04 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 2v49 n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2v49 s ASP 50 N 0.00 5.66 0.00 1.61 -0.00 -0.82 -4.68 116.67 118.45 2v49 s ASP 50 Ca 0.00 2.80 0.13 0.00 -0.00 0.00 0.00 52.55 55.48 2v49 s ASP 50 Cb 0.00 -2.64 0.79 0.00 -0.00 0.00 0.00 42.92 41.07 2v49 s ASP 50 CO 0.00 -1.31 1.34 0.49 -0.00 0.00 0.00 175.17 175.70 2v49 n PHE 51 N -0.54 0.00 0.00 4.23 3.01 -1.26 -4.22 117.46 118.67 2v49 n PHE 51 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.53 2v49 n PHE 51 Cb 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.91 2v49 n PHE 51 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 2v49 n VAL 52 N -0.77 0.00 -3.79 -4.37 0.31 -1.26 -4.27 118.33 104.18 2v49 n VAL 52 Ca 0.10 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 64.08 2v49 n VAL 52 Cb 0.05 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 32.87 2v49 n VAL 52 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2v49 s VAL 53 N 0.00 3.36 0.36 2.52 1.01 -1.26 -3.76 120.40 122.62 2v49 s VAL 53 Ca 0.00 -2.86 -0.26 0.00 0.00 0.00 0.00 61.98 58.86 2v49 s VAL 53 Cb 0.00 -3.24 -0.09 0.00 0.00 0.00 0.00 36.38 33.05 2v49 s VAL 53 CO 0.00 -0.82 1.08 -0.69 0.00 0.00 0.00 175.10 174.67 2v49 s VAL 54 N 0.13 3.57 0.21 2.92 1.01 -1.25 -2.93 120.40 124.05 2v49 s VAL 54 Ca 0.15 1.34 0.05 0.00 0.00 0.00 0.00 61.98 63.51 2v49 s VAL 54 Cb -0.22 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 2v49 s VAL 54 CO -0.03 0.14 -0.05 -0.69 0.00 0.00 0.00 175.10 174.46 2v49 s VAL 55 N -1.46 1.22 -0.32 2.92 1.01 -0.99 -3.29 120.40 119.49 2v49 s VAL 55 Ca 0.53 -2.07 -0.19 0.00 0.00 0.00 0.00 61.98 60.26 2v49 s VAL 55 Cb -0.26 -2.19 0.03 0.00 0.00 0.00 0.00 36.38 33.96 2v49 s VAL 55 CO 0.33 -0.47 0.39 -3.20 0.00 0.00 0.00 175.10 172.16 2v49 n ASN 56 N -0.37 -6.71 0.00 3.32 4.05 0.27 -4.43 115.26 111.38 2v49 n ASN 56 Ca -0.07 0.38 0.00 0.00 0.45 0.00 0.00 54.58 55.34 2v49 n ASN 56 Cb 0.63 -3.06 0.00 0.00 1.23 0.00 0.00 39.78 38.57 2v49 n ASN 56 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2v49 n ALA 57 N 0.28 0.00 -0.25 5.20 0.00 -0.98 -4.59 120.51 120.17 2v49 n ALA 57 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2v49 n ALA 57 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 2v49 n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2v49 n ASP 58 N 0.00 0.00 0.00 0.00 5.75 -1.26 -4.28 116.55 116.76 2v49 n ASP 58 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2v49 n ASP 58 Cb 0.00 -0.97 0.00 0.00 -1.03 0.00 0.00 41.12 39.12 2v49 n ASP 58 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2v49 n LYS 59 N -1.22 0.00 -0.54 0.11 4.76 -1.26 -4.79 118.16 115.22 2v49 n LYS 59 Ca 0.00 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.19 2v49 n LYS 59 Cb 0.47 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 32.12 2v49 n LYS 59 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2v49 n ILE 60 N 0.00 0.00 -0.75 -0.18 5.41 -1.25 -4.68 119.36 117.90 2v49 n ILE 60 Ca 0.00 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.51 2v49 n ILE 60 Cb 0.00 -0.21 -0.00 0.00 -0.71 0.00 0.00 39.64 38.72 2v49 n ILE 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2v49 n ARG 61 N 2.93 0.00 0.00 0.38 5.12 -1.18 -4.74 116.66 119.17 2v49 n ARG 61 Ca 0.22 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.14 2v49 n ARG 61 Cb -0.02 -0.58 0.00 0.00 -1.16 0.00 0.00 32.46 30.70 2v49 n ARG 61 CO 0.00 0.00 0.00 1.55 -1.93 0.00 0.00 177.63 177.25 2v49 n VAL 62 N -0.61 0.00 -3.73 1.55 3.14 -1.26 -3.53 118.33 113.88 2v49 n VAL 62 Ca 0.06 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 2v49 n VAL 62 Cb 0.23 0.45 0.00 0.00 -1.06 0.00 0.00 33.84 33.46 2v49 n VAL 62 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 2v49 n THR 63 N 0.00 0.00 0.00 1.55 5.66 -1.26 -4.54 114.28 115.69 2v49 n THR 63 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2v49 n THR 63 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2v49 n THR 63 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2v49 n GLY 64 N 0.00 0.00 2.19 1.09 0.00 -1.26 -4.07 105.19 103.14 2v49 n GLY 64 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 2v49 n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2v49 n LYS 65 N 0.00 0.74 -1.37 1.61 4.76 -1.26 -4.99 118.16 117.65 2v49 n LYS 65 Ca 0.00 -3.23 -0.26 0.00 -2.87 0.00 0.00 58.31 51.95 2v49 n LYS 65 Cb 0.00 -1.28 -0.08 0.00 -1.84 0.00 0.00 35.03 31.83 2v49 n LYS 65 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2v49 n LYS 66 N 1.26 2.90 -3.66 1.97 4.76 -1.26 -3.83 118.16 120.31 2v49 n LYS 66 Ca 0.21 -2.04 -0.18 0.00 -2.87 0.00 0.00 58.31 53.44 2v49 n LYS 66 Cb 0.55 -2.31 -0.16 0.00 -1.84 0.00 0.00 35.03 31.27 2v49 n LYS 66 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2v49 s LEU 67 N -0.93 0.01 0.00 -0.35 1.43 -1.26 -3.82 118.68 113.76 2v49 s LEU 67 Ca 0.63 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.92 2v49 s LEU 67 Cb 0.29 0.12 0.00 0.00 0.03 0.00 0.00 46.19 46.62 2v49 s LEU 67 CO -0.09 -0.25 0.00 -0.62 0.23 0.00 0.00 176.35 175.61 2v49 n GLU 68 N 5.31 0.00 -0.08 1.70 1.02 -1.26 -4.51 120.64 122.83 2v49 n GLU 68 Ca -0.04 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 56.99 2v49 n GLU 68 Cb 0.50 -4.20 -0.07 0.00 -0.02 0.00 0.00 31.44 27.65 2v49 n GLU 68 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2v49 n GLN 69 N -1.91 0.37 -2.74 3.49 1.13 -1.25 -4.89 117.38 111.58 2v49 n GLN 69 Ca 0.00 0.09 -0.43 0.00 -1.94 0.00 0.00 57.00 54.73 2v49 n GLN 69 Cb 0.00 -1.27 -0.03 0.00 0.11 0.00 0.00 30.24 29.05 2v49 n GLN 69 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2v49 s LYS 70 N -2.30 4.23 0.06 -1.09 2.47 -1.26 -5.00 119.74 116.86 2v49 s LYS 70 Ca -0.21 1.22 0.08 0.00 -1.56 0.00 0.00 55.97 55.50 2v49 s LYS 70 Cb 0.06 -3.64 -0.03 0.00 -1.46 0.00 0.00 37.83 32.75 2v49 s LYS 70 CO 0.34 -0.60 -0.22 0.42 0.16 0.00 0.00 175.35 175.46 2v49 s ILE 71 N 3.09 1.75 -0.25 5.43 -1.09 -1.26 -1.38 121.20 127.48 2v49 s ILE 71 Ca 0.41 -1.32 -0.01 0.00 -2.23 0.00 0.00 60.65 57.49 2v49 s ILE 71 Cb -0.15 -1.53 0.03 0.00 -1.58 0.00 0.00 42.46 39.23 2v49 s ILE 71 CO 0.07 0.15 -0.06 -0.31 -1.23 0.00 0.00 174.94 173.56 2v49 s TYR 72 N -0.90 3.10 -0.05 3.97 1.51 0.77 -4.86 117.35 120.90 2v49 s TYR 72 Ca 0.08 -1.67 -0.24 0.00 -1.01 0.00 0.00 57.07 54.23 2v49 s TYR 72 Cb -0.09 -2.05 -0.19 0.00 -0.11 0.00 0.00 41.96 39.52 2v49 s TYR 72 CO 0.03 -0.76 1.04 1.15 -1.11 0.00 0.00 175.55 175.90 2v49 h THR 73 N 6.23 1.19 0.00 -0.71 2.02 -1.85 0.88 112.91 120.67 2v49 h THR 73 Ca -0.30 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 65.61 2v49 h THR 73 Cb 1.10 1.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.48 2v49 h THR 73 CO 0.56 0.30 0.00 0.54 0.37 0.00 0.00 175.52 177.29 2v49 n ARG 74 N -4.86 0.00 -4.34 6.66 5.12 -1.26 -4.53 116.66 113.45 2v49 n ARG 74 Ca -0.08 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.65 2v49 n ARG 74 Cb 0.29 -0.11 -0.14 0.00 -1.16 0.00 0.00 32.46 31.33 2v49 n ARG 74 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2v49 s TYR 75 N 0.00 0.98 -0.45 -1.55 1.51 -1.24 -5.06 117.35 111.54 2v49 s TYR 75 Ca 0.00 -0.28 0.02 0.00 -1.01 0.00 0.00 57.07 55.80 2v49 s TYR 75 Cb 0.00 -0.60 0.14 0.00 -0.11 0.00 0.00 41.96 41.39 2v49 s TYR 75 CO 0.00 -0.00 0.26 0.45 -1.11 0.00 0.00 175.55 175.15 2v49 s SER 76 N -0.76 3.52 0.00 2.29 0.15 -1.26 -4.17 113.70 113.47 2v49 s SER 76 Ca 0.01 -2.72 0.00 0.00 0.70 0.00 0.00 55.95 53.94 2v49 s SER 76 Cb -0.06 -0.99 0.00 0.00 -1.71 0.00 0.00 66.02 63.26 2v49 s SER 76 CO 0.00 -0.25 0.84 0.61 1.20 0.00 0.00 173.24 175.64 2v49 n GLY 77 N 3.41 -3.29 0.00 9.45 0.00 -0.92 -4.91 105.19 108.92 2v49 n GLY 77 Ca 0.11 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.76 2v49 n GLY 77 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2v49 n TYR 78 N -2.31 0.00 -0.03 1.61 0.18 -1.26 -5.03 117.16 110.31 2v49 n TYR 78 Ca 0.00 0.00 -0.15 0.00 1.88 0.00 0.00 57.90 59.63 2v49 n TYR 78 Cb 0.00 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 38.86 2v49 n TYR 78 CO 0.00 0.00 0.00 -1.00 -2.08 0.00 0.00 176.86 173.78 2v49 h PRO 79 N 0.00 0.25 0.00 -3.48 0.13 -2.04 -3.47 132.00 123.39 2v49 h PRO 79 Ca 0.00 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 2v49 h PRO 79 Cb 0.00 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.17 2v49 h PRO 79 CO 0.00 0.85 0.00 0.41 -0.23 0.00 0.00 178.00 179.03 2v49 n GLY 80 N 0.71 0.20 3.73 1.56 0.00 -1.26 -5.14 105.19 104.99 2v49 n GLY 80 Ca -0.08 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 2v49 n GLY 80 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2v49 s GLY 81 N -0.96 2.60 -0.00 -0.02 0.00 -1.26 -4.95 107.32 102.73 2v49 s GLY 81 Ca 0.00 0.07 0.14 0.00 0.00 0.00 0.00 44.72 44.93 2v49 s GLY 81 CO 0.00 0.97 0.55 1.47 0.00 0.00 0.00 173.10 176.10 2v49 n LEU 82 N 3.33 0.55 -2.81 0.66 -0.00 -1.26 -2.18 117.00 115.30 2v49 n LEU 82 Ca -0.04 -0.41 -0.03 0.00 -0.00 0.00 0.00 56.01 55.53 2v49 n LEU 82 Cb 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.91 2v49 n LEU 82 CO 0.45 0.14 -0.46 0.29 -0.00 0.00 0.00 177.39 177.81 2v49 n LYS 83 N -1.45 -3.12 -3.21 1.47 5.02 -1.26 -3.59 118.16 112.02 2v49 n LYS 83 Ca 0.02 2.50 -0.33 0.00 -2.02 0.00 0.00 58.31 58.48 2v49 n LYS 83 Cb 0.25 -3.66 -0.06 0.00 -0.02 0.00 0.00 35.03 31.54 2v49 n LYS 83 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2v49 s LYS 84 N -0.74 3.99 -0.07 1.97 1.02 -1.26 -4.37 119.74 120.28 2v49 s LYS 84 Ca -0.13 0.60 -0.01 0.00 0.02 0.00 0.00 55.97 56.45 2v49 s LYS 84 Cb 0.01 -2.57 0.03 0.00 -0.52 0.00 0.00 37.83 34.78 2v49 s LYS 84 CO 0.52 0.24 -0.00 0.42 -0.92 0.00 0.00 175.35 175.61 2v49 s ILE 85 N -1.86 0.39 0.28 2.17 -1.09 0.30 -4.87 121.20 116.53 2v49 s ILE 85 Ca 0.50 0.11 -0.28 0.00 -2.23 0.00 0.00 60.65 58.75 2v49 s ILE 85 Cb -0.12 -0.53 -0.09 0.00 -1.58 0.00 0.00 42.46 40.14 2v49 s ILE 85 CO 0.19 0.26 0.97 -2.16 -1.23 0.00 0.00 174.94 172.97 2v49 s PRO 86 N 1.89 4.69 0.11 2.79 0.04 -1.26 0.27 135.00 143.53 2v49 s PRO 86 Ca 0.04 1.49 -0.33 0.00 0.04 0.00 0.00 61.00 62.23 2v49 s PRO 86 Cb -0.12 -3.06 -0.13 0.00 0.04 0.00 0.00 34.50 31.23 2v49 s PRO 86 CO -0.05 0.35 1.57 1.25 0.04 0.00 0.00 177.00 180.16 2v49 h LEU 87 N 3.66 -1.46 -0.31 -3.56 7.12 -1.43 -1.59 115.31 117.75 2v49 h LEU 87 Ca -0.46 0.15 0.03 0.00 0.13 0.00 0.00 57.88 57.73 2v49 h LEU 87 Cb 1.20 0.54 -0.04 0.00 -0.53 0.00 0.00 40.66 41.83 2v49 h LEU 87 CO 0.66 -0.55 -0.18 -0.62 -0.13 0.00 0.00 178.44 177.63 2v49 n GLU 88 N -5.49 -0.14 -0.33 1.25 1.02 -1.25 0.61 120.64 116.32 2v49 n GLU 88 Ca -0.08 1.04 0.16 0.00 -0.02 0.00 0.00 57.16 58.26 2v49 n GLU 88 Cb 0.41 -1.55 0.36 0.00 -0.02 0.00 0.00 31.44 30.64 2v49 n GLU 88 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2v49 h LYS 89 N 0.00 0.48 -0.64 3.49 3.11 -1.90 0.73 116.57 121.83 2v49 h LYS 89 Ca 0.05 -0.03 0.12 0.00 -2.81 0.00 0.00 60.65 57.98 2v49 h LYS 89 Cb 0.13 -0.11 -0.09 0.00 -1.00 0.00 0.00 32.23 31.16 2v49 h LYS 89 CO -0.29 0.32 0.18 0.52 -2.81 0.00 0.00 179.45 177.37 2v49 h MET 90 N 0.50 0.31 0.65 1.90 2.86 0.12 0.14 114.93 121.40 2v49 h MET 90 Ca 0.62 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 58.21 2v49 h MET 90 Cb 1.20 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.79 2v49 h MET 90 CO -0.51 0.20 -0.36 -0.07 1.06 0.00 0.00 176.91 177.24 2v49 h LEU 91 N 0.32 -0.87 -1.52 1.22 3.38 -0.19 -2.36 115.31 115.28 2v49 h LEU 91 Ca 0.34 0.04 0.31 0.00 0.09 0.00 0.00 57.88 58.66 2v49 h LEU 91 Cb 0.50 0.24 -0.09 0.00 0.09 0.00 0.00 40.66 41.40 2v49 h LEU 91 CO -0.40 -0.57 0.74 0.00 0.09 0.00 0.00 178.44 178.31 2v49 h ALA 92 N -1.45 2.53 -1.92 1.53 0.00 -1.30 -0.55 119.26 118.09 2v49 h ALA 92 Ca -0.09 0.04 -0.81 0.00 0.00 0.00 0.00 54.91 54.06 2v49 h ALA 92 Cb 0.73 0.07 -0.28 0.00 0.00 0.00 0.00 17.79 18.30 2v49 h ALA 92 CO 0.12 -0.95 0.76 -2.37 0.00 0.00 0.00 179.25 176.80 2v49 n THR 93 N -4.53 5.29 -2.47 0.00 5.66 0.47 -4.86 114.28 113.84 2v49 n THR 93 Ca 0.27 -5.93 -0.02 0.00 -3.05 0.00 0.00 64.05 55.33 2v49 n THR 93 Cb 1.05 -2.07 -0.01 0.00 -1.55 0.00 0.00 70.33 67.75 2v49 n THR 93 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2v49 n HIS 94 N 1.30 -3.04 0.08 1.09 -0.00 -0.28 -4.77 115.22 109.59 2v49 n HIS 94 Ca 0.26 1.80 -0.06 0.00 -0.00 0.00 0.00 57.72 59.72 2v49 n HIS 94 Cb 0.33 -2.86 -0.04 0.00 -0.00 0.00 0.00 29.99 27.42 2v49 n HIS 94 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2v49 h PRO 95 N 4.33 0.01 -0.90 -1.40 0.13 -1.35 -3.37 132.00 129.44 2v49 h PRO 95 Ca -0.16 -0.01 0.19 0.00 -0.87 0.00 0.00 66.00 65.15 2v49 h PRO 95 Cb 0.37 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.33 2v49 h PRO 95 CO 0.00 0.89 -0.20 -0.85 -0.23 0.00 0.00 178.00 177.62 2v49 n GLU 96 N -3.48 -0.08 -0.27 0.86 0.00 -1.26 0.81 120.64 117.21 2v49 n GLU 96 Ca -0.00 1.40 0.05 0.00 0.00 0.00 0.00 57.16 58.61 2v49 n GLU 96 Cb 0.85 -2.11 0.11 0.00 0.00 0.00 0.00 31.44 30.29 2v49 n GLU 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2v49 n ARG 97 N -5.46 -0.07 0.00 3.44 1.74 -1.26 -0.43 116.66 114.63 2v49 n ARG 97 Ca 0.15 1.16 0.00 0.00 -0.77 0.00 0.00 57.85 58.39 2v49 n ARG 97 Cb 0.47 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 30.18 2v49 n ARG 97 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2v49 n VAL 98 N -5.20 0.00 -0.00 1.55 0.31 0.24 0.29 118.33 115.51 2v49 n VAL 98 Ca 0.12 1.05 -0.13 0.00 -0.01 0.00 0.00 64.34 65.37 2v49 n VAL 98 Cb 0.38 -1.40 -0.07 0.00 -0.91 0.00 0.00 33.84 31.84 2v49 n VAL 98 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2v49 h LEU 99 N 0.00 -1.37 -0.10 7.52 -0.00 -0.91 0.67 115.31 121.11 2v49 h LEU 99 Ca 0.00 0.18 0.01 0.00 -0.00 0.00 0.00 57.88 58.07 2v49 h LEU 99 Cb 0.00 0.56 -0.01 0.00 -0.00 0.00 0.00 40.66 41.20 2v49 h LEU 99 CO 0.00 -0.44 -0.07 -0.33 -0.00 0.00 0.00 178.44 177.60 2v49 h GLU 100 N -0.51 -0.02 -0.01 1.13 5.08 0.14 0.47 114.58 120.87 2v49 h GLU 100 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2v49 h GLU 100 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2v49 h GLU 100 CO -0.40 -0.01 0.00 0.72 -1.00 0.00 0.00 179.01 178.31 2v49 n HIS 101 N -3.19 0.00 -0.28 4.33 8.25 0.82 -0.36 115.22 124.79 2v49 n HIS 101 Ca -0.00 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.47 2v49 n HIS 101 Cb 0.04 -0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.16 2v49 n HIS 101 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2v49 n ALA 102 N -0.48 1.88 0.00 -1.41 0.00 0.23 -4.54 120.51 116.20 2v49 n ALA 102 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.36 2v49 n ALA 102 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.41 2v49 n ALA 102 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2v49 n VAL 103 N -0.51 0.00 0.07 0.00 0.31 0.51 -4.48 118.33 114.24 2v49 n VAL 103 Ca 0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.23 2v49 n VAL 103 Cb 0.33 -0.47 -0.05 0.00 -0.91 0.00 0.00 33.84 32.74 2v49 n VAL 103 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2v49 h LYS 104 N 0.00 -0.32 0.00 5.55 3.64 -1.29 1.05 116.57 125.20 2v49 h LYS 104 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2v49 h LYS 104 Cb 0.59 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 2v49 h LYS 104 CO 0.00 -0.21 0.00 0.41 -2.27 0.00 0.00 179.45 177.38 2v49 n GLY 105 N -1.32 -0.38 0.24 5.01 0.00 -1.26 -2.36 105.19 105.11 2v49 n GLY 105 Ca -0.05 -0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 2v49 n GLY 105 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2v49 n MET 106 N -0.53 0.41 -0.78 1.61 2.81 0.34 -5.01 117.12 115.98 2v49 n MET 106 Ca 0.01 0.13 -0.25 0.00 -1.81 0.00 0.00 57.70 55.78 2v49 n MET 106 Cb 0.00 -1.26 0.21 0.00 -0.71 0.00 0.00 33.22 31.46 2v49 n MET 106 CO 0.00 0.00 0.00 1.47 1.51 0.00 0.00 175.97 178.95 2v49 n LEU 107 N -3.37 0.00 0.00 4.03 -0.00 -0.07 -5.04 117.00 112.54 2v49 n LEU 107 Ca -0.33 -0.93 0.00 0.00 -0.00 0.00 0.00 56.01 54.75 2v49 n LEU 107 Cb 0.80 -0.83 0.00 0.00 -0.00 0.00 0.00 43.42 43.39 2v49 n LEU 107 CO 0.11 -2.05 0.00 -0.81 -0.00 0.00 0.00 177.39 174.64 2v49 n PRO 108 N -4.38 0.00 -2.66 1.47 -0.04 -1.26 -4.99 135.00 123.15 2v49 n PRO 108 Ca 0.12 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.56 2v49 n PRO 108 Cb 0.49 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.98 2v49 n PRO 108 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2v49 s LYS 109 N 0.00 0.05 -0.05 0.54 0.00 -1.26 -4.92 119.74 114.10 2v49 s LYS 109 Ca 0.00 -0.05 -0.30 0.00 0.00 0.00 0.00 55.97 55.62 2v49 s LYS 109 Cb 0.00 -0.00 0.12 0.00 0.00 0.00 0.00 37.83 37.94 2v49 s LYS 109 CO 0.00 -0.07 1.34 0.20 0.00 0.00 0.00 175.35 176.82 2v49 s GLY 110 N 1.09 -0.31 0.15 0.59 0.00 -1.26 -4.95 107.32 102.64 2v49 s GLY 110 Ca 0.22 0.46 -0.06 0.00 0.00 0.00 0.00 44.72 45.33 2v49 s GLY 110 CO -0.12 2.97 0.90 -1.05 0.00 0.00 0.00 173.10 175.80 2v49 n PRO 111 N -0.70 -0.08 0.00 2.90 -0.02 -1.26 0.15 135.00 135.99 2v49 n PRO 111 Ca -0.03 0.90 -0.05 0.00 -2.02 0.00 0.00 63.50 62.30 2v49 n PRO 111 Cb 0.61 -1.33 -0.03 0.00 -0.02 0.00 0.00 33.50 32.73 2v49 n PRO 111 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2v49 h LEU 112 N 0.00 -0.52 -0.17 2.45 5.85 -1.96 0.34 115.31 121.30 2v49 h LEU 112 Ca 0.25 0.06 0.05 0.00 0.84 0.00 0.00 57.88 59.08 2v49 h LEU 112 Cb 0.39 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 2v49 h LEU 112 CO -0.59 -0.15 -0.21 1.23 -0.34 0.00 0.00 178.44 178.38 2v49 h GLY 113 N -0.19 -0.16 -0.90 3.75 0.00 0.92 0.28 103.07 106.77 2v49 h GLY 113 Ca 0.01 0.26 0.11 0.00 0.00 0.00 0.00 47.33 47.71 2v49 h GLY 113 CO -0.13 -0.19 -0.44 -2.13 0.00 0.00 0.00 176.54 173.66 2v49 n ARG 114 N -5.35 -0.30 0.38 4.80 0.63 0.40 -0.19 116.66 117.03 2v49 n ARG 114 Ca -0.02 1.37 -0.17 0.00 -0.92 0.00 0.00 57.85 58.11 2v49 n ARG 114 Cb 0.27 -2.03 -0.08 0.00 0.45 0.00 0.00 32.46 31.07 2v49 n ARG 114 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2v49 h ARG 115 N 0.00 -1.01 -0.57 -0.14 3.08 0.12 -3.13 114.38 112.73 2v49 h ARG 115 Ca 0.23 0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.40 2v49 h ARG 115 Cb 0.45 0.23 -0.07 0.00 0.08 0.00 0.00 29.97 30.67 2v49 h ARG 115 CO -0.87 -0.67 -0.33 1.28 -1.07 0.00 0.00 179.97 178.30 2v49 n LEU 116 N -5.05 -0.60 -0.35 3.04 4.77 0.85 0.21 117.00 119.87 2v49 n LEU 116 Ca -0.13 1.26 0.35 0.00 -0.03 0.00 0.00 56.01 57.46 2v49 n LEU 116 Cb 0.43 -0.26 0.73 0.00 -2.33 0.00 0.00 43.42 41.99 2v49 n LEU 116 CO 0.30 -0.95 1.32 0.15 -1.33 0.00 0.00 177.39 176.88 2v49 h PHE 117 N 0.00 0.09 -0.03 -1.77 3.57 -0.78 0.76 116.94 118.79 2v49 h PHE 117 Ca 0.09 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.40 2v49 h PHE 117 Cb 0.23 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 2v49 h PHE 117 CO -0.82 0.00 -0.81 0.87 -2.23 0.00 0.00 178.31 175.32 2v49 h LYS 118 N 0.05 0.27 0.56 1.11 1.57 0.25 -3.24 116.57 117.14 2v49 h LYS 118 Ca 0.60 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 59.10 2v49 h LYS 118 Cb 2.27 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 34.63 2v49 h LYS 118 CO -0.05 0.94 -0.51 0.00 -0.57 0.00 0.00 179.45 179.26 2v49 h ARG 119 N 0.17 -1.02 -6.28 3.15 2.47 0.16 -3.41 114.38 109.62 2v49 h ARG 119 Ca -0.04 0.07 -0.64 0.00 -1.26 0.00 0.00 59.98 58.11 2v49 h ARG 119 Cb 1.40 0.23 0.03 0.00 -1.65 0.00 0.00 29.97 29.98 2v49 h ARG 119 CO 0.13 -0.68 0.97 -0.11 0.56 0.00 0.00 179.97 180.84 2v49 n LEU 120 N -5.58 3.07 -3.83 3.04 -0.00 -0.95 -4.87 117.00 107.88 2v49 n LEU 120 Ca -0.13 1.02 -0.29 0.00 -0.00 0.00 0.00 56.01 56.62 2v49 n LEU 120 Cb 0.48 -1.32 -0.16 0.00 -0.00 0.00 0.00 43.42 42.41 2v49 n LEU 120 CO 0.28 -0.23 -0.39 -0.54 -0.00 0.00 0.00 177.39 176.51 2v49 s LYS 121 N 3.25 1.11 0.17 1.96 -0.14 -1.25 -4.96 119.74 119.88 2v49 s LYS 121 Ca 0.91 -0.62 0.09 0.00 -1.36 0.00 0.00 55.97 54.99 2v49 s LYS 121 Cb -0.78 -2.23 -0.04 0.00 -1.68 0.00 0.00 37.83 33.09 2v49 s LYS 121 CO 0.52 -0.58 -0.11 0.08 -0.76 0.00 0.00 175.35 174.50 2v49 s VAL 122 N 1.67 3.14 0.29 3.17 1.01 -1.26 -4.02 120.40 124.40 2v49 s VAL 122 Ca -0.02 -1.64 -0.03 0.00 0.00 0.00 0.00 61.98 60.29 2v49 s VAL 122 Cb -0.17 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.68 2v49 s VAL 122 CO -0.07 -0.08 0.43 -1.22 0.00 0.00 0.00 175.10 174.15 2v49 n TYR 123 N 0.14 -1.39 -3.70 5.22 4.02 -1.21 -5.05 117.16 115.20 2v49 n TYR 123 Ca -0.11 -1.81 -0.29 0.00 -0.01 0.00 0.00 57.90 55.68 2v49 n TYR 123 Cb 0.55 0.49 -0.16 0.00 -0.02 0.00 0.00 39.34 40.20 2v49 n TYR 123 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2v49 s ALA 124 N -2.42 1.12 0.00 -0.72 0.00 -1.26 -0.56 121.76 117.91 2v49 s ALA 124 Ca 0.21 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2v49 s ALA 124 Cb -0.01 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.73 2v49 s ALA 124 CO 0.15 -1.43 0.00 0.41 0.00 0.00 0.00 175.76 174.89 2v49 n GLY 125 N 5.02 -0.38 2.41 0.00 0.00 -1.26 -4.69 105.19 106.29 2v49 n GLY 125 Ca -0.06 0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 2v49 n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2v49 n PRO 126 N -0.88 -3.98 0.00 1.61 -0.04 -1.26 -4.83 135.00 125.63 2v49 n PRO 126 Ca 0.00 -1.12 0.00 0.00 -0.04 0.00 0.00 63.50 62.34 2v49 n PRO 126 Cb 0.00 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 2v49 n PRO 126 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2v49 n ASP 127 N -5.04 0.00 -2.64 3.54 9.92 -1.26 -4.89 116.55 116.18 2v49 n ASP 127 Ca 0.10 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.21 2v49 n ASP 127 Cb 0.45 0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.94 2v49 n ASP 127 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2v49 n HIS 128 N 0.00 1.93 -1.40 1.24 1.44 -1.26 -4.84 115.22 112.33 2v49 n HIS 128 Ca 0.00 -2.99 -0.12 0.00 -2.01 0.00 0.00 57.72 52.60 2v49 n HIS 128 Cb 0.00 -0.29 -0.10 0.00 0.12 0.00 0.00 29.99 29.72 2v49 n HIS 128 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 2v49 n PRO 129 N -0.18 0.15 0.00 -1.40 -0.04 -1.26 0.13 135.00 132.40 2v49 n PRO 129 Ca 0.20 -0.72 0.00 0.00 -0.04 0.00 0.00 63.50 62.95 2v49 n PRO 129 Cb 0.75 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 2v49 n PRO 129 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2v49 n HIS 130 N 12.69 0.00 -2.46 0.54 1.44 -1.26 -5.14 115.22 121.03 2v49 n HIS 130 Ca 0.36 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.65 2v49 n HIS 130 Cb 0.40 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.49 2v49 n HIS 130 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 2v49 s GLN 131 N 0.00 4.29 -0.44 -1.40 2.00 0.36 -4.90 119.66 119.56 2v49 s GLN 131 Ca 0.00 1.64 0.08 0.00 -2.00 0.00 0.00 55.36 55.07 2v49 s GLN 131 Cb 0.00 -3.66 0.29 0.00 0.80 0.00 0.00 33.01 30.43 2v49 s GLN 131 CO 0.00 -0.58 0.85 0.00 -0.50 0.00 0.00 175.29 175.06 2v49 n ALA 132 N 5.95 0.24 0.00 1.58 0.00 -1.26 -5.00 120.51 122.01 2v49 n ALA 132 Ca 0.12 -2.23 0.00 0.00 0.00 0.00 0.00 53.44 51.34 2v49 n ALA 132 Cb 0.46 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.81 2v49 n ALA 132 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2v49 n GLN 133 N 0.96 0.00 -2.87 0.00 7.27 -1.26 -5.12 117.38 116.36 2v49 n GLN 133 Ca 0.14 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 57.06 2v49 n GLN 133 Cb 0.64 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.29 2v49 n GLN 133 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 2v49 n ARG 134 N 0.00 1.29 -1.56 3.69 1.85 -1.26 -4.83 116.66 115.83 2v49 n ARG 134 Ca 0.00 -3.44 -0.39 0.00 -1.00 0.00 0.00 57.85 53.01 2v49 n ARG 134 Cb 0.00 -1.52 -0.04 0.00 -1.05 0.00 0.00 32.46 29.85 2v49 n ARG 134 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 2v49 n PRO 135 N 0.04 1.37 -2.18 2.89 -0.04 -1.18 -4.57 135.00 131.33 2v49 n PRO 135 Ca 0.18 0.21 -0.41 0.00 -0.04 0.00 0.00 63.50 63.44 2v49 n PRO 135 Cb 0.73 -3.28 -0.03 0.00 -0.04 0.00 0.00 33.50 30.88 2v49 n PRO 135 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2v49 s GLU 136 N 7.49 4.38 0.47 0.54 2.12 -1.26 -2.34 118.70 130.10 2v49 s GLU 136 Ca 1.01 2.12 0.01 0.00 0.36 0.00 0.00 54.97 58.47 2v49 s GLU 136 Cb -0.29 -3.15 0.01 0.00 0.26 0.00 0.00 34.13 30.97 2v49 s GLU 136 CO 0.31 -0.22 0.11 1.17 -0.54 0.00 0.00 175.26 176.09 2v49 n LYS 137 N 1.96 0.85 -3.25 4.30 4.81 0.59 -4.84 118.16 122.57 2v49 n LYS 137 Ca 0.04 -3.28 -0.43 0.00 -0.87 0.00 0.00 58.31 53.77 2v49 n LYS 137 Cb 0.42 0.73 -0.00 0.00 0.02 0.00 0.00 35.03 36.20 2v49 n LYS 137 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2v49 n LEU 138 N 0.00 5.67 0.00 3.14 4.77 -1.26 -4.69 117.00 124.63 2v49 n LEU 138 Ca -0.14 -5.12 0.00 0.00 -0.03 0.00 0.00 56.01 50.72 2v49 n LEU 138 Cb 0.58 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.32 2v49 n LEU 138 CO 0.32 1.51 0.00 -1.84 -1.33 0.00 0.00 177.39 176.05