#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qal n ARG 2 N 0.00 0.09 0.00 0.00 5.12 -1.26 -4.93 116.66 115.68 2qal n ARG 2 Ca 0.00 -1.25 0.00 0.00 -1.93 0.00 0.00 57.85 54.67 2qal n ARG 2 Cb 0.00 0.36 0.00 0.00 -1.16 0.00 0.00 32.46 31.66 2qal n ARG 2 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 2qal n TYR 3 N 0.02 0.00 -3.44 -1.55 9.36 -1.26 -4.79 117.16 115.50 2qal n TYR 3 Ca -0.20 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.67 2qal n TYR 3 Cb 0.80 0.00 0.03 0.00 -0.63 0.00 0.00 39.34 39.55 2qal n TYR 3 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 2qal n LEU 4 N 0.00 -3.21 0.00 2.98 -0.00 -1.26 -4.98 117.00 110.53 2qal n LEU 4 Ca 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 56.01 55.91 2qal n LEU 4 Cb 0.00 -1.85 0.00 0.00 -0.00 0.00 0.00 43.42 41.57 2qal n LEU 4 CO 0.00 -0.31 0.00 0.61 -0.00 0.00 0.00 177.39 177.69 2qal n GLY 5 N -0.25 2.40 3.56 1.47 0.00 -1.26 -5.08 105.19 106.03 2qal n GLY 5 Ca -0.07 -0.62 -0.19 0.00 0.00 0.00 0.00 46.02 45.14 2qal n GLY 5 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qal s PRO 6 N 1.29 1.96 0.24 1.61 0.04 -1.26 -4.81 135.00 134.06 2qal s PRO 6 Ca 0.00 -0.04 -0.05 0.00 0.04 0.00 0.00 61.00 60.95 2qal s PRO 6 Cb 0.00 -4.95 0.38 0.00 0.04 0.00 0.00 34.50 29.97 2qal s PRO 6 CO 0.00 -4.17 1.81 0.87 0.04 0.00 0.00 177.00 175.55 2qal h LYS 7 N 11.80 0.77 -0.92 4.56 1.57 -1.98 -1.88 116.57 130.49 2qal h LYS 7 Ca 0.06 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.86 2qal h LYS 7 Cb 1.00 -0.17 -0.07 0.00 0.08 0.00 0.00 32.23 33.07 2qal h LYS 7 CO 1.10 0.51 0.58 -0.07 -0.57 0.00 0.00 179.45 181.00 2qal h LEU 8 N 0.79 0.92 -0.61 2.94 -0.00 -1.93 -2.26 115.31 115.16 2qal h LEU 8 Ca 0.39 0.02 0.13 0.00 -0.00 0.00 0.00 57.88 58.41 2qal h LEU 8 Cb 0.33 -0.18 -0.11 0.00 -0.00 0.00 0.00 40.66 40.71 2qal h LEU 8 CO -0.24 0.58 -0.03 0.50 -0.00 0.00 0.00 178.44 179.25 2qal h LYS 9 N 1.05 0.09 -0.32 1.13 3.64 -1.72 -0.49 116.57 119.94 2qal h LYS 9 Ca 0.41 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.84 2qal h LYS 9 Cb 0.20 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.94 2qal h LYS 9 CO -0.18 0.06 -0.02 -0.07 -2.27 0.00 0.00 179.45 176.97 2qal h LEU 10 N 0.09 -0.17 -2.09 5.20 3.38 -1.43 -0.34 115.31 119.96 2qal h LEU 10 Ca 0.31 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.35 2qal h LEU 10 Cb 0.51 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 2qal h LEU 10 CO -0.54 -0.05 -0.04 0.28 0.09 0.00 0.00 178.44 178.18 2qal h SER 11 N 0.07 0.00 -0.13 -0.43 0.02 -1.09 -1.95 113.55 110.05 2qal h SER 11 Ca 0.15 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.94 2qal h SER 11 Cb 0.22 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 2qal h SER 11 CO -0.27 0.04 -0.53 0.03 -1.14 0.00 0.00 176.83 174.96 2qal h ARG 12 N 0.00 0.71 0.37 3.45 3.08 0.29 -1.52 114.38 120.76 2qal h ARG 12 Ca -0.00 -0.44 -0.02 0.00 0.07 0.00 0.00 59.98 59.59 2qal h ARG 12 Cb 0.08 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2qal h ARG 12 CO 0.01 1.06 -0.18 -0.09 -1.07 0.00 0.00 179.97 179.70 2qal h ARG 13 N 0.55 -0.48 0.00 0.04 9.65 -0.68 -2.89 114.38 120.56 2qal h ARG 13 Ca 0.02 0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.92 2qal h ARG 13 Cb 1.10 0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.79 2qal h ARG 13 CO 0.11 -0.18 -0.03 0.93 2.80 0.00 0.00 179.97 183.60 2qal h GLU 14 N -0.79 0.00 -0.02 0.20 4.39 -1.54 -3.46 114.58 113.36 2qal h GLU 14 Ca -0.05 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 2qal h GLU 14 Cb 0.52 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2qal h GLU 14 CO 0.08 0.03 -0.00 0.41 -1.16 0.00 0.00 179.01 178.37 2qal n GLY 15 N -0.97 0.37 3.62 -3.84 0.00 -0.70 -5.04 105.19 98.64 2qal n GLY 15 Ca -0.02 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 2qal n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qal s THR 16 N -2.01 0.00 -0.58 2.61 2.01 -0.66 -4.91 115.64 112.10 2qal s THR 16 Ca 0.00 -1.36 -0.17 0.00 0.31 0.00 0.00 61.69 60.46 2qal s THR 16 Cb 0.00 -2.31 0.12 0.00 0.01 0.00 0.00 72.50 70.32 2qal s THR 16 CO 0.00 0.00 0.61 -0.62 -0.69 0.00 0.00 174.62 173.92 2qal s ASP 17 N -3.05 6.22 0.00 3.53 -1.08 -1.26 -4.39 116.67 116.65 2qal s ASP 17 Ca 0.22 -1.69 0.07 0.00 -0.52 0.00 0.00 52.55 50.63 2qal s ASP 17 Cb -0.02 -2.25 0.40 0.00 -1.46 0.00 0.00 42.92 39.59 2qal s ASP 17 CO 0.11 -0.96 0.92 0.18 0.52 0.00 0.00 175.17 175.93 2qal n LEU 18 N 5.67 0.00 -0.85 -1.34 7.99 -1.26 -4.81 117.00 122.40 2qal n LEU 18 Ca -0.10 0.00 -0.11 0.00 -0.01 0.00 0.00 56.01 55.79 2qal n LEU 18 Cb 0.42 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.68 2qal n LEU 18 CO 0.55 0.00 -0.11 0.49 -1.51 0.00 0.00 177.39 176.81 2qal n PHE 19 N -0.68 0.00 0.37 -1.77 3.72 -1.26 -4.84 117.46 113.00 2qal n PHE 19 Ca 0.05 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.58 2qal n PHE 19 Cb 0.02 -2.15 0.54 0.00 -0.94 0.00 0.00 39.48 36.95 2qal n PHE 19 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2qal h LEU 20 N 0.00 0.00 -4.89 4.37 3.38 -1.92 -3.01 115.31 113.24 2qal h LEU 20 Ca -0.23 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.33 2qal h LEU 20 Cb 0.78 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.12 2qal h LEU 20 CO 0.33 0.00 -1.09 1.17 0.09 0.00 0.00 178.44 178.95 2qal n LYS 21 N -2.47 1.69 -0.08 1.13 3.00 -1.26 -4.89 118.16 115.29 2qal n LYS 21 Ca 0.02 -3.55 0.00 0.00 -0.00 0.00 0.00 58.31 54.78 2qal n LYS 21 Cb 0.26 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 33.80 2qal n LYS 21 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2qal n SER 22 N -0.17 1.17 -3.27 3.14 7.64 -1.14 -4.78 113.62 116.21 2qal n SER 22 Ca 0.16 -1.03 -0.28 0.00 1.01 0.00 0.00 58.87 58.73 2qal n SER 22 Cb 0.78 -0.23 0.26 0.00 -1.01 0.00 0.00 64.21 64.02 2qal n SER 22 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qal n GLY 23 N 1.45 -3.68 0.00 0.23 0.00 -1.26 -4.74 105.19 97.20 2qal n GLY 23 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.69 2qal n GLY 23 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2qal n VAL 24 N -5.42 0.00 0.00 1.61 0.24 -1.26 -4.82 118.33 108.68 2qal n VAL 24 Ca 0.13 0.83 0.00 0.00 -2.04 0.00 0.00 64.34 63.26 2qal n VAL 24 Cb 0.55 -1.75 0.00 0.00 -1.47 0.00 0.00 33.84 31.18 2qal n VAL 24 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2qal n ARG 25 N -0.38 3.08 0.00 7.34 -4.01 -1.26 -4.81 116.66 116.61 2qal n ARG 25 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 2qal n ARG 25 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 2qal n ARG 25 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2qal n ALA 26 N -3.00 0.00 -2.61 2.89 0.00 -1.26 -4.97 120.51 111.55 2qal n ALA 26 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qal n ALA 26 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qal n ALA 26 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2qal n ILE 27 N 0.00-11.31 -0.95 0.00 -0.00 -1.26 -4.84 119.36 101.01 2qal n ILE 27 Ca 0.00 1.74 0.12 0.00 -0.00 0.00 0.00 62.75 64.61 2qal n ILE 27 Cb 0.00 -6.70 -0.05 0.00 -0.00 0.00 0.00 39.64 32.89 2qal n ILE 27 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 176.55 175.65 2qal n ASP 28 N 0.68 -5.60 -1.47 4.38 5.75 -1.26 -5.00 116.55 114.02 2qal n ASP 28 Ca -0.01 0.72 0.19 0.00 -0.01 0.00 0.00 54.79 55.68 2qal n ASP 28 Cb 0.02 -3.09 -0.06 0.00 -1.03 0.00 0.00 41.12 36.96 2qal n ASP 28 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2qal n THR 29 N -3.67 0.00 -1.80 2.12 -1.04 -1.26 -4.78 114.28 103.86 2qal n THR 29 Ca -0.03 0.35 -0.19 0.00 -2.04 0.00 0.00 64.05 62.14 2qal n THR 29 Cb 0.44 -0.85 -0.06 0.00 -1.82 0.00 0.00 70.33 68.04 2qal n THR 29 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2qal n LYS 30 N -4.33 -1.52 0.00 -2.82 4.01 -1.26 -4.27 118.16 107.97 2qal n LYS 30 Ca -0.03 1.09 0.00 0.00 -0.51 0.00 0.00 58.31 58.86 2qal n LYS 30 Cb 0.68 -5.53 0.00 0.00 -0.51 0.00 0.00 35.03 29.67 2qal n LYS 30 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2qal n LYS 32 N -0.11 -2.05 -1.65 0.00 3.00 -1.26 -4.97 118.16 111.12 2qal n LYS 32 Ca 0.00 0.27 -0.44 0.00 -0.00 0.00 0.00 58.31 58.14 2qal n LYS 32 Cb 0.00 -3.54 -0.02 0.00 0.00 0.00 0.00 35.03 31.47 2qal n LYS 32 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 2qal n ILE 33 N -2.01 1.58 -3.24 3.15 0.13 -1.26 -3.01 119.36 114.69 2qal n ILE 33 Ca -0.09 -0.40 -0.10 0.00 -1.10 0.00 0.00 62.75 61.07 2qal n ILE 33 Cb 0.55 -1.32 0.02 0.00 -0.84 0.00 0.00 39.64 38.06 2qal n ILE 33 CO 0.00 0.00 0.00 1.21 2.80 0.00 0.00 176.55 180.56 2qal n GLU 34 N 1.15 -1.59 0.00 9.51 4.07 -1.26 -4.91 120.64 127.61 2qal n GLU 34 Ca 0.09 1.15 0.00 0.00 -0.06 0.00 0.00 57.16 58.34 2qal n GLU 34 Cb 0.32 -5.30 0.00 0.00 -0.06 0.00 0.00 31.44 26.40 2qal n GLU 34 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 2qal n GLN 35 N -2.51 0.00 0.00 5.31 3.00 -1.17 -5.09 117.38 116.92 2qal n GLN 35 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 2qal n GLN 35 Cb 0.56 -0.31 0.00 0.00 0.00 0.00 0.00 30.24 30.49 2qal n GLN 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2qal n ALA 36 N -1.19 0.00 0.05 -1.58 0.00 -1.26 -3.82 120.51 112.72 2qal n ALA 36 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2qal n ALA 36 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 2qal n ALA 36 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2qal n PRO 37 N 0.00 0.03 0.00 0.00 -0.02 -1.26 -4.67 135.00 129.08 2qal n PRO 37 Ca 0.00 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2qal n PRO 37 Cb 0.00 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 2qal n PRO 37 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qal n GLY 38 N -1.33 3.37 0.27 -1.23 0.00 -1.26 -4.86 105.19 100.15 2qal n GLY 38 Ca -0.00 -0.75 -0.05 0.00 0.00 0.00 0.00 46.02 45.21 2qal n GLY 38 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2qal h GLN 39 N 0.00 0.70 -0.04 1.61 -0.00 -2.02 -3.03 115.11 112.33 2qal h GLN 39 Ca 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 58.65 58.41 2qal h GLN 39 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 27.48 27.43 2qal h GLN 39 CO 0.00 0.81 0.00 0.72 -0.00 0.00 0.00 178.83 180.36 2qal n HIS 40 N -4.15 0.02 -0.07 0.06 8.25 -1.26 -4.52 115.22 113.54 2qal n HIS 40 Ca 0.01 -0.01 0.25 0.00 -0.26 0.00 0.00 57.72 57.70 2qal n HIS 40 Cb 0.38 -0.00 0.59 0.00 1.12 0.00 0.00 29.99 32.08 2qal n HIS 40 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2qal h GLY 41 N 4.06 0.00 -0.21 -1.41 0.00 -1.80 -0.70 103.07 103.01 2qal h GLY 41 Ca 0.00 0.00 0.26 0.00 0.00 0.00 0.00 47.33 47.59 2qal h GLY 41 CO 0.00 0.00 0.62 0.00 0.00 0.00 0.00 176.54 177.16 2qal h ALA 42 N 0.99 1.93 -2.47 3.60 0.00 -1.79 -3.40 119.26 118.13 2qal h ALA 42 Ca 0.35 0.12 -0.48 0.00 0.00 0.00 0.00 54.91 54.90 2qal h ALA 42 Cb 2.05 0.04 0.03 0.00 0.00 0.00 0.00 17.79 19.90 2qal h ALA 42 CO -0.00 -0.41 0.41 1.03 0.00 0.00 0.00 179.25 180.28 2qal s ARG 43 N -5.69 3.97 -0.87 0.00 1.81 -0.27 -4.99 118.95 112.91 2qal s ARG 43 Ca -0.10 1.49 -0.06 0.00 -1.72 0.00 0.00 55.73 55.34 2qal s ARG 43 Cb 0.27 -2.35 0.22 0.00 -0.45 0.00 0.00 34.95 32.64 2qal s ARG 43 CO 0.80 -0.31 0.77 0.21 -0.68 0.00 0.00 175.30 176.09 2qal s LYS 44 N -2.80 3.39 0.82 3.54 2.20 -1.26 -5.07 119.74 120.55 2qal s LYS 44 Ca 0.62 -2.95 -0.11 0.00 -0.36 0.00 0.00 55.97 53.18 2qal s LYS 44 Cb -0.21 -4.13 0.08 0.00 -1.51 0.00 0.00 37.83 32.06 2qal s LYS 44 CO 0.26 -1.24 1.09 -1.25 -0.36 0.00 0.00 175.35 173.84 2qal s PRO 45 N -0.76 1.92 -0.40 4.03 0.04 -1.26 -5.01 135.00 133.56 2qal s PRO 45 Ca 0.24 0.95 -0.17 0.00 0.04 0.00 0.00 61.00 62.06 2qal s PRO 45 Cb -0.11 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.57 2qal s PRO 45 CO -0.09 -1.82 0.43 1.03 0.04 0.00 0.00 177.00 176.60 2qal s ARG 46 N -4.96 3.22 0.26 4.56 0.52 -1.26 -5.05 118.95 116.24 2qal s ARG 46 Ca 0.62 -0.65 -0.30 0.00 -0.52 0.00 0.00 55.73 54.89 2qal s ARG 46 Cb -0.17 -3.93 -0.09 0.00 0.52 0.00 0.00 34.95 31.28 2qal s ARG 46 CO 0.56 -0.78 1.30 -1.17 0.02 0.00 0.00 175.30 175.23 2qal s LEU 47 N 2.15 4.43 0.51 2.53 2.96 -1.26 -5.01 118.68 125.00 2qal s LEU 47 Ca 0.13 2.52 -0.10 0.00 -0.22 0.00 0.00 54.13 56.45 2qal s LEU 47 Cb -0.17 -3.63 -0.05 0.00 0.50 0.00 0.00 46.19 42.84 2qal s LEU 47 CO 0.13 -0.51 0.90 -0.94 -1.32 0.00 0.00 176.35 174.61 2qal s SER 48 N -0.05 6.38 0.34 3.68 1.04 -1.26 -4.78 113.70 119.05 2qal s SER 48 Ca 0.53 1.25 0.14 0.00 0.48 0.00 0.00 55.95 58.35 2qal s SER 48 Cb -0.38 -2.38 1.08 0.00 0.10 0.00 0.00 66.02 64.43 2qal s SER 48 CO 0.44 -0.63 1.65 -0.78 0.98 0.00 0.00 173.24 174.90 2qal h ASP 49 N 0.43 0.43 0.04 7.02 3.58 -2.00 0.38 116.42 126.30 2qal h ASP 49 Ca -0.46 0.20 -0.00 0.00 0.42 0.00 0.00 57.03 57.19 2qal h ASP 49 Cb 1.19 0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.41 2qal h ASP 49 CO 0.62 -0.18 -0.02 0.22 -2.88 0.00 0.00 179.24 177.01 2qal h TYR 50 N 0.27 -0.05 -1.00 0.28 3.20 -2.01 -3.18 116.97 114.48 2qal h TYR 50 Ca 0.73 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.74 2qal h TYR 50 Cb 1.68 0.02 -0.09 0.00 1.54 0.00 0.00 36.73 39.87 2qal h TYR 50 CO -0.04 0.39 0.62 0.78 -1.64 0.00 0.00 178.16 178.27 2qal h GLY 51 N -0.51 1.69 0.45 1.82 0.00 -0.76 0.52 103.07 106.27 2qal h GLY 51 Ca -0.01 -0.40 0.12 0.00 0.00 0.00 0.00 47.33 47.05 2qal h GLY 51 CO 0.01 0.08 0.61 -2.08 0.00 0.00 0.00 176.54 175.15 2qal h VAL 52 N 0.90 0.90 0.01 4.60 2.07 -0.72 0.12 116.25 124.13 2qal h VAL 52 Ca 0.52 -0.33 -0.13 0.00 0.82 0.00 0.00 66.70 67.59 2qal h VAL 52 Cb 0.63 -0.13 0.01 0.00 -1.52 0.00 0.00 31.29 30.28 2qal h VAL 52 CO -0.31 0.17 -0.52 1.56 0.02 0.00 0.00 177.57 178.50 2qal h GLN 53 N 0.95 0.34 0.00 1.57 4.20 -0.99 -2.49 115.11 118.69 2qal h GLN 53 Ca 0.49 -0.37 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 2qal h GLN 53 Cb 0.50 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 2qal h GLN 53 CO -0.27 1.06 -0.04 1.25 -0.67 0.00 0.00 178.83 180.16 2qal h LEU 54 N -0.23 0.00 0.00 1.46 7.12 -0.39 -0.16 115.31 123.11 2qal h LEU 54 Ca -0.07 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.94 2qal h LEU 54 Cb 1.25 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.38 2qal h LEU 54 CO 0.10 0.04 -0.04 -0.09 -0.13 0.00 0.00 178.44 178.33 2qal h ARG 55 N 0.00 0.00 -1.00 1.25 9.65 -0.84 -1.56 114.38 121.88 2qal h ARG 55 Ca -0.00 0.00 0.20 0.00 -1.10 0.00 0.00 59.98 59.08 2qal h ARG 55 Cb 0.08 0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 28.55 2qal h ARG 55 CO 0.01 0.77 0.60 1.49 2.80 0.00 0.00 179.97 185.64 2qal h GLU 56 N -1.00 0.70 -0.16 0.20 4.57 -1.20 0.19 114.58 117.88 2qal h GLU 56 Ca -0.01 -0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 58.00 2qal h GLU 56 Cb 0.78 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 2qal h GLU 56 CO -0.01 0.46 -0.41 -0.22 -1.18 0.00 0.00 179.01 177.65 2qal h LYS 57 N 0.72 0.57 -0.65 1.92 3.11 -1.11 -3.16 116.57 117.97 2qal h LYS 57 Ca 0.59 -0.39 -0.03 0.00 -2.81 0.00 0.00 60.65 58.01 2qal h LYS 57 Cb 0.96 0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 32.22 2qal h LYS 57 CO -0.40 1.01 0.30 0.37 -2.81 0.00 0.00 179.45 177.92 2qal h GLN 58 N 0.22 0.95 0.00 1.90 5.75 0.02 -2.61 115.11 121.34 2qal h GLN 58 Ca -0.01 -0.15 0.00 0.00 -0.15 0.00 0.00 58.65 58.35 2qal h GLN 58 Cb 1.03 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.41 2qal h GLN 58 CO 0.09 0.76 0.00 1.17 -2.65 0.00 0.00 178.83 178.20 2qal n LYS 59 N -4.46 0.00 -0.13 1.69 4.81 0.50 -1.83 118.16 118.74 2qal n LYS 59 Ca 0.05 0.57 0.27 0.00 -0.87 0.00 0.00 58.31 58.33 2qal n LYS 59 Cb 0.14 -1.44 0.65 0.00 0.02 0.00 0.00 35.03 34.40 2qal n LYS 59 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 2qal h VAL 60 N 0.00 0.24 0.03 3.15 3.04 -1.60 -0.51 116.25 120.59 2qal h VAL 60 Ca 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2qal h VAL 60 Cb 0.00 0.36 0.00 0.00 -2.01 0.00 0.00 31.29 29.64 2qal h VAL 60 CO 0.00 0.00 -0.01 -0.09 -1.01 0.00 0.00 177.57 176.46 2qal h ARG 61 N 0.00 -0.04 0.00 4.17 2.43 -1.05 -3.23 114.38 116.67 2qal h ARG 61 Ca 0.40 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.57 2qal h ARG 61 Cb 2.05 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.61 2qal h ARG 61 CO -0.00 0.55 0.00 2.89 -1.51 0.00 0.00 179.97 181.89 2qal n ARG 62 N -4.82 0.06 -0.15 0.20 1.85 -0.27 -2.58 116.66 110.94 2qal n ARG 62 Ca -0.09 0.21 -0.12 0.00 -1.00 0.00 0.00 57.85 56.85 2qal n ARG 62 Cb 0.30 -1.59 -0.00 0.00 -1.05 0.00 0.00 32.46 30.12 2qal n ARG 62 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 2qal h ILE 63 N 0.00 1.27 -0.01 8.89 2.04 -1.38 -2.92 117.51 125.40 2qal h ILE 63 Ca 0.00 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.45 2qal h ILE 63 Cb 0.38 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 2qal h ILE 63 CO 0.00 0.49 -0.29 -1.22 0.00 0.00 0.00 178.15 177.13 2qal n TYR 64 N -4.10 0.00 0.00 1.37 4.02 -1.15 -4.95 117.16 112.35 2qal n TYR 64 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2qal n TYR 64 Cb 0.47 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 39.74 2qal n TYR 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2qal n GLY 65 N 1.35 2.90 3.72 2.72 0.00 -1.07 -4.96 105.19 109.85 2qal n GLY 65 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 2qal n GLY 65 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2qal n VAL 66 N -2.00 2.77 -2.41 1.61 0.24 -1.17 -4.88 118.33 112.49 2qal n VAL 66 Ca 0.00 -0.50 -0.25 0.00 -2.04 0.00 0.00 64.34 61.55 2qal n VAL 66 Cb 0.00 -1.66 0.13 0.00 -1.47 0.00 0.00 33.84 30.84 2qal n VAL 66 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2qal s LEU 67 N -2.17 2.90 0.03 1.34 1.43 -1.26 -4.44 118.68 116.51 2qal s LEU 67 Ca 0.62 -0.19 -0.11 0.00 -1.03 0.00 0.00 54.13 53.42 2qal s LEU 67 Cb -0.48 -2.07 -0.06 0.00 0.03 0.00 0.00 46.19 43.61 2qal s LEU 67 CO 0.57 -2.09 1.18 -0.08 0.23 0.00 0.00 176.35 176.16 2qal h GLU 68 N -0.82 -0.31 -0.51 1.70 4.57 -1.97 -1.78 114.58 115.45 2qal h GLU 68 Ca -0.38 0.02 0.05 0.00 -1.18 0.00 0.00 59.36 57.86 2qal h GLU 68 Cb 1.26 0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 29.86 2qal h GLU 68 CO 0.40 -0.21 -0.33 -0.09 -1.18 0.00 0.00 179.01 177.60 2qal h ARG 69 N -0.33 -0.03 -0.60 1.92 9.65 -1.99 0.43 114.38 123.43 2qal h ARG 69 Ca -0.02 0.00 0.11 0.00 -1.10 0.00 0.00 59.98 58.97 2qal h ARG 69 Cb 0.28 0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 28.79 2qal h ARG 69 CO -0.02 -0.02 0.16 0.37 2.80 0.00 0.00 179.97 183.27 2qal h GLN 70 N -0.03 0.30 -0.31 0.20 4.15 -1.97 -1.07 115.11 116.37 2qal h GLN 70 Ca 0.08 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.52 2qal h GLN 70 Cb 0.24 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.83 2qal h GLN 70 CO -0.50 0.20 0.09 0.35 -1.93 0.00 0.00 178.83 177.04 2qal h PHE 71 N 0.31 0.16 -0.52 3.99 3.57 -0.14 -2.40 116.94 121.90 2qal h PHE 71 Ca 0.31 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.92 2qal h PHE 71 Cb 0.45 -0.03 -0.10 0.00 2.79 0.00 0.00 35.95 39.06 2qal h PHE 71 CO -0.22 0.06 -0.37 -0.09 -2.23 0.00 0.00 178.31 175.46 2qal h ARG 72 N 0.22 -0.21 -0.76 1.11 9.65 0.11 0.13 114.38 124.62 2qal h ARG 72 Ca 0.14 0.01 0.08 0.00 -1.10 0.00 0.00 59.98 59.11 2qal h ARG 72 Cb 0.13 0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 28.71 2qal h ARG 72 CO -0.16 -0.14 0.50 -0.91 2.80 0.00 0.00 179.97 182.06 2qal h ASN 73 N -0.22 0.68 -0.61 -3.80 4.21 -1.06 -1.13 115.58 113.65 2qal h ASN 73 Ca 0.19 0.01 0.02 0.00 1.21 0.00 0.00 56.30 57.73 2qal h ASN 73 Cb 0.56 -0.14 -0.04 0.00 -1.12 0.00 0.00 38.32 37.58 2qal h ASN 73 CO -0.64 0.43 0.38 1.88 -1.29 0.00 0.00 177.43 178.19 2qal h TYR 74 N 0.77 0.72 -0.50 1.19 0.05 -0.28 -1.76 116.97 117.15 2qal h TYR 74 Ca 0.34 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 59.13 2qal h TYR 74 Cb 0.32 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.80 2qal h TYR 74 CO -0.00 0.42 0.30 -0.92 -1.05 0.00 0.00 178.16 176.91 2qal h TYR 75 N 0.76 0.67 -0.89 4.88 3.20 -0.51 -0.61 116.97 124.47 2qal h TYR 75 Ca 0.24 -0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.30 2qal h TYR 75 Cb -0.01 -0.22 -0.07 0.00 1.54 0.00 0.00 36.73 37.97 2qal h TYR 75 CO -0.05 0.47 0.59 0.87 -1.64 0.00 0.00 178.16 178.40 2qal h LYS 76 N 0.67 0.44 0.06 1.82 1.57 -0.55 -1.64 116.57 118.94 2qal h LYS 76 Ca 0.18 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2qal h LYS 76 Cb 0.00 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.21 2qal h LYS 76 CO -0.03 0.29 -0.03 1.49 -0.57 0.00 0.00 179.45 180.60 2qal h GLU 77 N 0.45 -0.08 -1.50 3.15 4.57 -0.55 -2.94 114.58 117.68 2qal h GLU 77 Ca 0.47 0.01 0.44 0.00 -1.18 0.00 0.00 59.36 59.09 2qal h GLU 77 Cb 1.09 0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 29.62 2qal h GLU 77 CO -0.19 0.51 1.05 0.00 -1.18 0.00 0.00 179.01 179.21 2qal h ALA 78 N -0.14 3.28 0.01 2.92 0.00 -0.23 0.13 119.26 125.24 2qal h ALA 78 Ca -0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2qal h ALA 78 Cb 0.63 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2qal h ALA 78 CO 0.01 -1.76 -0.28 0.00 0.00 0.00 0.00 179.25 177.23 2qal h ALA 79 N 1.30 0.05 0.00 0.00 0.00 -1.43 -3.16 119.26 116.02 2qal h ALA 79 Ca 0.75 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2qal h ALA 79 Cb 2.83 0.14 0.00 0.00 0.00 0.00 0.00 17.79 20.77 2qal h ALA 79 CO -0.10 0.15 0.00 2.89 0.00 0.00 0.00 179.25 182.20 2qal n ARG 80 N -4.55 0.15 -2.49 0.00 1.85 0.05 -4.70 116.66 106.97 2qal n ARG 80 Ca -0.14 0.47 -0.41 0.00 -1.00 0.00 0.00 57.85 56.77 2qal n ARG 80 Cb 0.53 -1.84 -0.04 0.00 -1.05 0.00 0.00 32.46 30.06 2qal n ARG 80 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2qal s LEU 81 N -4.27 4.49 0.00 2.89 1.43 0.24 -4.88 118.68 118.57 2qal s LEU 81 Ca 0.02 2.13 0.00 0.00 -1.03 0.00 0.00 54.13 55.25 2qal s LEU 81 Cb 0.08 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.69 2qal s LEU 81 CO 0.31 -0.24 0.20 0.29 0.23 0.00 0.00 176.35 177.13 2qal n LYS 82 N 2.31 0.00 0.00 1.70 5.02 -1.26 -4.58 118.16 121.36 2qal n LYS 82 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 2qal n LYS 82 Cb 0.46 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.27 2qal n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qal n GLY 83 N -0.69 2.46 3.34 0.72 0.00 -1.26 -5.08 105.19 104.67 2qal n GLY 83 Ca 0.00 -1.73 -0.37 0.00 0.00 0.00 0.00 46.02 43.92 2qal n GLY 83 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qal s ASN 84 N -0.66 5.18 0.34 1.61 3.04 -1.26 -4.99 114.94 118.19 2qal s ASN 84 Ca 0.00 -0.77 0.12 0.00 0.04 0.00 0.00 52.86 52.25 2qal s ASN 84 Cb 0.00 -1.89 1.06 0.00 -1.54 0.00 0.00 41.25 38.89 2qal s ASN 84 CO 0.00 -0.22 1.61 0.74 -3.04 0.00 0.00 177.10 176.20 2qal h THR 85 N 5.90 0.14 0.00 -5.21 2.02 -1.86 0.14 112.91 114.04 2qal h THR 85 Ca -0.30 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 66.84 2qal h THR 85 Cb 1.12 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 2qal h THR 85 CO 0.61 0.02 0.00 0.61 0.37 0.00 0.00 175.52 177.13 2qal n GLY 86 N -1.33 -3.14 0.17 2.16 0.00 -1.26 -0.98 105.19 100.81 2qal n GLY 86 Ca 0.31 0.33 -0.04 0.00 0.00 0.00 0.00 46.02 46.62 2qal n GLY 86 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qal h GLU 87 N 0.00 0.04 -0.90 1.61 4.22 -1.87 -2.34 114.58 115.33 2qal h GLU 87 Ca 0.00 -0.00 0.18 0.00 0.08 0.00 0.00 59.36 59.62 2qal h GLU 87 Cb 0.00 -0.01 -0.17 0.00 0.50 0.00 0.00 28.75 29.07 2qal h GLU 87 CO 0.00 0.03 -0.22 -0.91 -2.18 0.00 0.00 179.01 175.72 2qal h ASN 88 N 0.04 -0.83 0.17 1.04 4.21 -0.65 0.66 115.58 120.22 2qal h ASN 88 Ca 0.20 0.27 -0.01 0.00 1.21 0.00 0.00 56.30 57.97 2qal h ASN 88 Cb 0.30 0.56 0.00 0.00 -1.12 0.00 0.00 38.32 38.06 2qal h ASN 88 CO -0.39 -0.30 -0.08 0.25 -1.29 0.00 0.00 177.43 175.62 2qal h LEU 89 N 0.00 -0.19 -0.46 1.61 5.85 -0.49 0.15 115.31 121.78 2qal h LEU 89 Ca 0.43 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.18 2qal h LEU 89 Cb 0.67 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 2qal h LEU 89 CO -0.93 -0.10 0.21 -0.07 -0.34 0.00 0.00 178.44 177.21 2qal h LEU 90 N -0.27 0.27 -0.50 2.25 -0.00 -1.14 -1.88 115.31 114.05 2qal h LEU 90 Ca -0.02 0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 57.89 2qal h LEU 90 Cb 0.21 -0.01 -0.02 0.00 -0.00 0.00 0.00 40.66 40.83 2qal h LEU 90 CO 0.04 0.20 0.29 0.00 -0.00 0.00 0.00 178.44 178.96 2qal h ALA 91 N 1.27 0.64 -0.84 1.53 0.00 -0.75 0.08 119.26 121.18 2qal h ALA 91 Ca 0.21 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.18 2qal h ALA 91 Cb 0.15 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 2qal h ALA 91 CO -0.17 0.14 0.55 -0.07 0.00 0.00 0.00 179.25 179.70 2qal h LEU 92 N 0.67 0.56 0.01 0.00 -0.00 -0.10 0.14 115.31 116.59 2qal h LEU 92 Ca 0.18 0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 58.09 2qal h LEU 92 Cb 0.02 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 40.60 2qal h LEU 92 CO -0.03 0.29 -0.00 -0.07 -0.00 0.00 0.00 178.44 178.62 2qal h LEU 93 N 0.59 -0.01 -1.45 1.67 3.38 -0.61 -3.26 115.31 115.63 2qal h LEU 93 Ca 0.42 -0.72 0.11 0.00 0.09 0.00 0.00 57.88 57.78 2qal h LEU 93 Cb 0.75 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.45 2qal h LEU 93 CO -0.17 0.72 0.50 -0.08 0.09 0.00 0.00 178.44 179.50 2qal h GLU 94 N -0.74 0.57 0.00 1.13 4.57 -0.23 0.12 114.58 120.00 2qal h GLU 94 Ca -0.00 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2qal h GLU 94 Cb 0.73 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.19 2qal h GLU 94 CO 0.00 0.38 -0.02 0.78 -1.18 0.00 0.00 179.01 178.97 2qal h GLY 95 N 0.59 0.00 -5.43 1.92 0.00 -0.79 -3.37 103.07 95.99 2qal h GLY 95 Ca 0.36 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 47.04 2qal h GLY 95 CO -0.13 0.00 0.71 0.54 0.00 0.00 0.00 176.54 177.66 2qal n ARG 96 N -3.28 1.63 0.05 4.80 1.74 0.43 -0.70 116.66 121.34 2qal n ARG 96 Ca -0.02 0.59 -0.11 0.00 -0.77 0.00 0.00 57.85 57.54 2qal n ARG 96 Cb 0.14 -2.31 -0.04 0.00 -1.02 0.00 0.00 32.46 29.23 2qal n ARG 96 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2qal h LEU 97 N 5.95 -0.58 -1.98 0.55 5.85 0.95 0.25 115.31 126.31 2qal h LEU 97 Ca -0.47 0.08 0.27 0.00 0.84 0.00 0.00 57.88 58.61 2qal h LEU 97 Cb 1.30 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.53 2qal h LEU 97 CO 0.86 -0.26 0.68 -2.24 -0.34 0.00 0.00 178.44 177.14 2qal h ASP 98 N -0.31 0.01 0.10 1.25 -0.00 -1.33 0.27 116.42 116.40 2qal h ASP 98 Ca 0.06 0.00 -0.14 0.00 -0.00 0.00 0.00 57.03 56.95 2qal h ASP 98 Cb 0.39 -0.00 0.01 0.00 -0.00 0.00 0.00 39.33 39.74 2qal h ASP 98 CO -0.19 0.00 -0.64 -1.13 -0.00 0.00 0.00 179.24 177.29 2qal h ASN 99 N 0.01 0.33 -0.07 4.15 -1.24 -1.33 -3.21 115.58 114.22 2qal h ASN 99 Ca 0.45 -0.95 0.04 0.00 0.71 0.00 0.00 56.30 56.55 2qal h ASN 99 Cb 1.80 -0.11 -0.04 0.00 0.73 0.00 0.00 38.32 40.70 2qal h ASN 99 CO -0.01 1.30 -0.20 0.58 -1.29 0.00 0.00 177.43 177.81 2qal h VAL 100 N -0.55 0.52 -0.46 2.57 2.07 0.24 -1.85 116.25 118.78 2qal h VAL 100 Ca -0.12 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.50 2qal h VAL 100 Cb 1.47 0.52 -0.10 0.00 -1.52 0.00 0.00 31.29 31.66 2qal h VAL 100 CO 0.10 0.00 -0.20 0.58 0.02 0.00 0.00 177.57 178.07 2qal h VAL 101 N -0.28 0.39 -0.01 2.57 2.07 -0.77 -2.17 116.25 118.04 2qal h VAL 101 Ca 0.08 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.63 2qal h VAL 101 Cb 0.39 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 2qal h VAL 101 CO -0.23 0.00 -0.42 0.22 0.02 0.00 0.00 177.57 177.17 2qal h TYR 102 N -0.10 -1.18 0.00 1.57 3.20 -1.42 -1.02 116.97 118.02 2qal h TYR 102 Ca 0.22 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.13 2qal h TYR 102 Cb 0.44 0.52 0.00 0.00 1.54 0.00 0.00 36.73 39.23 2qal h TYR 102 CO -0.47 -0.49 0.00 0.54 -1.64 0.00 0.00 178.16 176.10 2qal n ARG 103 N -5.45 0.13 -1.77 1.82 1.74 -0.75 -2.27 116.66 110.12 2qal n ARG 103 Ca -0.06 0.03 -0.27 0.00 -0.77 0.00 0.00 57.85 56.78 2qal n ARG 103 Cb 0.37 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.35 2qal n ARG 103 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2qal n MET 104 N -1.03 3.28 0.00 5.56 2.81 -0.39 -4.71 117.12 122.64 2qal n MET 104 Ca 0.03 -3.87 0.00 0.00 -1.81 0.00 0.00 57.70 52.05 2qal n MET 104 Cb 0.02 -2.27 0.00 0.00 -0.71 0.00 0.00 33.22 30.26 2qal n MET 104 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qal n GLY 105 N -0.79 1.09 3.57 3.03 0.00 -0.96 -4.93 105.19 106.19 2qal n GLY 105 Ca 0.49 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 46.04 2qal n GLY 105 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qal n PHE 106 N 0.00 1.12 -1.61 1.61 3.72 -1.23 -3.31 117.46 117.76 2qal n PHE 106 Ca 0.00 0.72 0.00 0.00 -0.05 0.00 0.00 57.45 58.12 2qal n PHE 106 Cb 0.00 -2.24 0.00 0.00 -0.94 0.00 0.00 39.48 36.30 2qal n PHE 106 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qal n GLY 107 N 1.68 -4.88 0.10 1.37 0.00 -1.26 -3.83 105.19 98.36 2qal n GLY 107 Ca 0.13 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 2qal n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qal h ALA 108 N 3.00 0.21 -2.60 4.61 0.00 -1.85 -3.44 119.26 119.19 2qal h ALA 108 Ca 0.00 -0.01 -0.57 0.00 0.00 0.00 0.00 54.91 54.33 2qal h ALA 108 Cb 0.00 -0.07 -0.16 0.00 0.00 0.00 0.00 17.79 17.56 2qal h ALA 108 CO 0.00 -0.31 -0.77 0.95 0.00 0.00 0.00 179.25 179.12 2qal s THR 109 N -6.16 2.15 0.24 0.00 -4.23 -1.26 -4.74 115.64 101.63 2qal s THR 109 Ca -0.13 -2.17 -0.05 0.00 -1.18 0.00 0.00 61.69 58.16 2qal s THR 109 Cb 0.08 -2.10 0.21 0.00 1.34 0.00 0.00 72.50 72.03 2qal s THR 109 CO 0.69 -0.35 1.83 0.03 -0.54 0.00 0.00 174.62 176.27 2qal h ARG 110 N 2.76 0.84 -0.16 3.99 3.08 -1.85 0.12 114.38 123.16 2qal h ARG 110 Ca -0.42 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 59.62 2qal h ARG 110 Cb 1.23 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 2qal h ARG 110 CO 0.56 0.55 0.11 0.00 -1.07 0.00 0.00 179.97 180.12 2qal h ALA 111 N 1.43 2.12 0.05 0.04 0.00 -1.91 -0.57 119.26 120.42 2qal h ALA 111 Ca 0.38 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 55.04 2qal h ALA 111 Cb 0.28 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.09 2qal h ALA 111 CO -0.21 -0.16 -1.00 1.49 0.00 0.00 0.00 179.25 179.36 2qal h GLU 112 N 0.03 0.59 -0.72 0.00 4.81 -1.22 -3.25 114.58 114.82 2qal h GLU 112 Ca 0.07 -0.70 0.06 0.00 -0.13 0.00 0.00 59.36 58.66 2qal h GLU 112 Cb 0.26 0.22 -0.06 0.00 0.63 0.00 0.00 28.75 29.80 2qal h GLU 112 CO -0.00 1.29 0.42 0.00 -0.73 0.00 0.00 179.01 179.99 2qal h ALA 113 N 0.32 0.96 -0.80 2.92 0.00 0.21 -2.12 119.26 120.75 2qal h ALA 113 Ca -0.14 0.01 0.16 0.00 0.00 0.00 0.00 54.91 54.94 2qal h ALA 113 Cb 1.69 -0.16 -0.15 0.00 0.00 0.00 0.00 17.79 19.17 2qal h ALA 113 CO 0.19 0.12 -0.19 -0.09 0.00 0.00 0.00 179.25 179.28 2qal h ARG 114 N 0.77 0.00 -0.57 0.00 1.12 -1.19 0.19 114.38 114.70 2qal h ARG 114 Ca 0.31 -0.00 0.02 0.00 -1.11 0.00 0.00 59.98 59.20 2qal h ARG 114 Cb 0.17 -0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.09 2qal h ARG 114 CO -0.17 0.00 0.36 0.37 -3.11 0.00 0.00 179.97 177.42 2qal h GLN 115 N 0.00 0.69 -0.79 0.20 4.15 -1.48 -0.12 115.11 117.77 2qal h GLN 115 Ca 0.38 -0.04 0.06 0.00 0.77 0.00 0.00 58.65 59.83 2qal h GLN 115 Cb 0.59 -0.16 -0.06 0.00 0.21 0.00 0.00 27.48 28.06 2qal h GLN 115 CO -0.82 0.46 0.47 -0.07 -1.93 0.00 0.00 178.83 176.94 2qal h LEU 116 N 0.71 0.73 0.71 -2.39 3.38 -0.56 0.17 115.31 118.05 2qal h LEU 116 Ca 0.22 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 2qal h LEU 116 Cb -0.01 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.62 2qal h LEU 116 CO -0.08 0.46 -0.34 0.58 0.09 0.00 0.00 178.44 179.15 2qal h VAL 117 N 0.86 0.00 -0.57 1.22 2.07 -0.50 0.10 116.25 119.43 2qal h VAL 117 Ca 0.35 -0.18 0.16 0.00 0.82 0.00 0.00 66.70 67.85 2qal h VAL 117 Cb 0.19 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.93 2qal h VAL 117 CO -0.18 0.00 0.41 -1.28 0.02 0.00 0.00 177.57 176.54 2qal h SER 118 N -1.13 0.01 -0.69 0.57 0.87 -0.86 -2.21 113.55 110.11 2qal h SER 118 Ca -0.10 0.00 -0.40 0.00 -1.23 0.00 0.00 61.79 60.07 2qal h SER 118 Cb 0.73 -0.00 -0.21 0.00 -0.44 0.00 0.00 62.40 62.48 2qal h SER 118 CO 0.16 0.00 0.51 1.41 -0.53 0.00 0.00 176.83 178.38 2qal n HIS 119 N -4.37 2.16 -3.01 2.24 -0.00 0.57 -4.86 115.22 107.95 2qal n HIS 119 Ca 0.11 -1.78 -0.17 0.00 -0.00 0.00 0.00 57.72 55.88 2qal n HIS 119 Cb 0.64 -0.89 -0.01 0.00 -0.00 0.00 0.00 29.99 29.73 2qal n HIS 119 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2qal n LYS 120 N -0.46 -2.80 0.00 -0.41 4.01 -0.83 -4.81 118.16 112.85 2qal n LYS 120 Ca 0.42 0.39 0.11 0.00 -0.51 0.00 0.00 58.31 58.72 2qal n LYS 120 Cb 1.06 -5.01 0.12 0.00 -0.51 0.00 0.00 35.03 30.68 2qal n LYS 120 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2qal n ALA 121 N -2.98 3.94 -2.51 7.82 0.00 0.35 -4.80 120.51 122.32 2qal n ALA 121 Ca -0.04 -0.46 -0.25 0.00 0.00 0.00 0.00 53.44 52.69 2qal n ALA 121 Cb 0.55 -0.98 -0.10 0.00 0.00 0.00 0.00 19.45 18.92 2qal n ALA 121 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2qal s ILE 122 N -2.93 2.81 -0.15 0.00 -1.09 -1.22 -0.92 121.20 117.70 2qal s ILE 122 Ca 0.12 -2.00 -0.06 0.00 -2.23 0.00 0.00 60.65 56.47 2qal s ILE 122 Cb 0.17 -2.42 0.07 0.00 -1.58 0.00 0.00 42.46 38.70 2qal s ILE 122 CO 0.74 -0.23 0.32 -0.32 -1.23 0.00 0.00 174.94 174.22 2qal s MET 123 N -3.09 0.23 -0.29 2.79 -2.45 -0.86 -2.46 119.30 113.17 2qal s MET 123 Ca 0.26 0.81 -0.11 0.00 -1.25 0.00 0.00 55.69 55.40 2qal s MET 123 Cb -0.07 0.06 -0.03 0.00 1.25 0.00 0.00 34.83 36.04 2qal s MET 123 CO 0.14 -0.24 0.17 0.08 1.05 0.00 0.00 175.02 176.22 2qal s VAL 124 N 2.19 4.99 -0.91 10.11 1.01 0.33 -2.14 120.40 135.98 2qal s VAL 124 Ca -0.02 -0.10 -0.06 0.00 0.00 0.00 0.00 61.98 61.80 2qal s VAL 124 Cb -0.11 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 2qal s VAL 124 CO -0.10 0.17 0.75 0.59 0.00 0.00 0.00 175.10 176.51 2qal n ASN 125 N 5.03 -6.58 -2.34 3.32 4.13 -0.73 -2.33 115.26 115.76 2qal n ASN 125 Ca -0.14 -0.55 -0.13 0.00 1.68 0.00 0.00 54.58 55.43 2qal n ASN 125 Cb 0.51 -4.32 -0.01 0.00 -1.54 0.00 0.00 39.78 34.41 2qal n ASN 125 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qal n GLY 126 N -1.62 -0.34 2.84 7.41 0.00 -1.26 -4.94 105.19 107.28 2qal n GLY 126 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.79 2qal n GLY 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qal s ARG 127 N -4.86 0.02 0.23 1.61 3.00 -0.98 -5.14 118.95 112.82 2qal s ARG 127 Ca 0.00 0.27 -0.30 0.00 0.00 0.00 0.00 55.73 55.70 2qal s ARG 127 Cb 0.00 -0.22 -0.09 0.00 0.00 0.00 0.00 34.95 34.64 2qal s ARG 127 CO 0.00 -0.17 1.07 0.54 0.00 0.00 0.00 175.30 176.74 2qal s VAL 128 N 1.13 3.75 -0.00 3.52 0.11 -1.26 0.12 120.40 127.77 2qal s VAL 128 Ca -0.09 1.65 -0.01 0.00 -2.93 0.00 0.00 61.98 60.61 2qal s VAL 128 Cb -0.12 -4.05 0.00 0.00 -1.53 0.00 0.00 36.38 30.67 2qal s VAL 128 CO -0.04 0.35 0.01 -0.69 -3.33 0.00 0.00 175.10 171.40 2qal s VAL 129 N -0.78 0.01 -0.08 2.04 1.01 -1.03 -4.86 120.40 116.71 2qal s VAL 129 Ca 0.46 -0.06 0.17 0.00 0.00 0.00 0.00 61.98 62.55 2qal s VAL 129 Cb -0.30 -0.05 0.37 0.00 0.00 0.00 0.00 36.38 36.40 2qal s VAL 129 CO 0.37 -0.03 1.17 -0.46 0.00 0.00 0.00 175.10 176.14 2qal n ASN 130 N 2.97 1.24 -4.14 3.32 6.94 -1.24 -4.39 115.26 119.95 2qal n ASN 130 Ca -0.13 -2.74 -0.38 0.00 -0.02 0.00 0.00 54.58 51.31 2qal n ASN 130 Cb 0.60 -0.38 -0.09 0.00 -2.36 0.00 0.00 39.78 37.55 2qal n ASN 130 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2qal s ILE 131 N -1.33 3.89 0.33 1.53 1.01 -1.26 -3.86 121.20 121.50 2qal s ILE 131 Ca 0.32 -2.55 0.09 0.00 0.00 0.00 0.00 60.65 58.51 2qal s ILE 131 Cb 0.33 -3.55 0.36 0.00 0.01 0.00 0.00 42.46 39.61 2qal s ILE 131 CO -0.10 -0.84 1.61 0.00 0.00 0.00 0.00 174.94 175.61 2qal h ALA 132 N 7.53 1.60 0.00 9.38 0.00 -1.92 1.05 119.26 136.90 2qal h ALA 132 Ca -0.06 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2qal h ALA 132 Cb 1.00 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2qal h ALA 132 CO 0.74 -0.66 0.00 -1.13 0.00 0.00 0.00 179.25 178.20 2qal n SER 133 N -5.29 0.49 -4.72 0.00 3.41 -1.26 -0.99 113.62 105.27 2qal n SER 133 Ca 0.28 -1.85 -0.42 0.00 -0.26 0.00 0.00 58.87 56.62 2qal n SER 133 Cb 0.93 -0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 64.60 2qal n SER 133 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2qal s TYR 134 N -1.46 3.08 -0.20 7.33 5.04 0.36 -4.71 117.35 126.79 2qal s TYR 134 Ca 0.00 0.68 -0.25 0.00 -2.44 0.00 0.00 57.07 55.06 2qal s TYR 134 Cb 0.00 -3.88 -0.01 0.00 0.35 0.00 0.00 41.96 38.42 2qal s TYR 134 CO 0.00 -3.24 0.82 -1.14 -1.34 0.00 0.00 175.55 170.65 2qal s GLN 135 N 1.18 4.24 -0.36 4.97 2.00 -1.26 0.95 119.66 131.37 2qal s GLN 135 Ca 0.69 0.96 -0.17 0.00 -2.00 0.00 0.00 55.36 54.84 2qal s GLN 135 Cb -0.42 -3.61 -0.00 0.00 0.80 0.00 0.00 33.01 29.78 2qal s GLN 135 CO 0.31 -0.41 0.45 0.08 -0.50 0.00 0.00 175.29 175.22 2qal s VAL 136 N 2.45 5.08 0.82 1.34 1.01 0.13 -4.94 120.40 126.29 2qal s VAL 136 Ca 0.36 0.12 -0.11 0.00 0.00 0.00 0.00 61.98 62.35 2qal s VAL 136 Cb -0.16 -3.93 0.11 0.00 0.00 0.00 0.00 36.38 32.40 2qal s VAL 136 CO 0.10 -0.21 1.16 -0.94 0.00 0.00 0.00 175.10 175.21 2qal s SER 137 N 1.76 4.21 0.96 3.32 1.04 -1.26 -4.82 113.70 118.91 2qal s SER 137 Ca 0.15 0.47 -0.12 0.00 0.48 0.00 0.00 55.95 56.94 2qal s SER 137 Cb -0.16 -0.88 0.17 0.00 0.10 0.00 0.00 66.02 65.25 2qal s SER 137 CO 0.13 -2.04 1.09 -2.16 0.98 0.00 0.00 173.24 171.23 2qal s PRO 138 N -5.54 0.69 0.00 4.02 0.04 -1.26 -3.28 135.00 129.66 2qal s PRO 138 Ca 0.65 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.55 2qal s PRO 138 Cb -0.09 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.71 2qal s PRO 138 CO 0.49 -2.64 0.00 0.09 0.04 0.00 0.00 177.00 174.97 2qal n ASN 139 N -4.17 0.00 -4.72 6.66 3.02 0.16 -4.94 115.26 111.27 2qal n ASN 139 Ca 0.06 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.21 2qal n ASN 139 Cb 0.55 -0.32 0.01 0.00 -0.61 0.00 0.00 39.78 39.41 2qal n ASN 139 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2qal n ASP 140 N 0.00 2.87 -4.38 6.41 8.00 -1.21 -4.43 116.55 123.82 2qal n ASP 140 Ca 0.00 1.12 -0.38 0.00 0.71 0.00 0.00 54.79 56.24 2qal n ASP 140 Cb 0.00 -1.54 -0.12 0.00 -0.02 0.00 0.00 41.12 39.44 2qal n ASP 140 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2qal s VAL 141 N -1.19 4.20 -0.43 2.53 -7.23 -1.26 0.21 120.40 117.22 2qal s VAL 141 Ca 0.60 -0.61 -0.20 0.00 -1.81 0.00 0.00 61.98 59.97 2qal s VAL 141 Cb -0.49 -3.16 0.02 0.00 0.56 0.00 0.00 36.38 33.31 2qal s VAL 141 CO 0.58 0.07 0.59 -0.69 -0.31 0.00 0.00 175.10 175.34 2qal s VAL 142 N 1.54 4.90 0.42 1.32 1.01 0.56 -1.77 120.40 128.37 2qal s VAL 142 Ca 0.03 -0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.05 2qal s VAL 142 Cb -0.17 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 2qal s VAL 142 CO 0.04 -0.55 0.04 -0.94 0.00 0.00 0.00 175.10 173.69 2qal s SER 143 N 1.95 3.38 0.02 3.32 1.04 -0.91 -1.28 113.70 121.22 2qal s SER 143 Ca 0.20 -1.51 0.06 0.00 0.48 0.00 0.00 55.95 55.18 2qal s SER 143 Cb -0.15 0.10 -0.03 0.00 0.10 0.00 0.00 66.02 66.04 2qal s SER 143 CO 0.17 -0.69 -0.16 -0.63 0.98 0.00 0.00 173.24 172.91 2qal s ILE 144 N -2.99 2.91 0.04 -1.02 1.01 -1.17 -2.02 121.20 117.95 2qal s ILE 144 Ca 0.25 -1.04 -0.30 0.00 0.00 0.00 0.00 60.65 59.55 2qal s ILE 144 Cb 0.06 -2.20 -0.08 0.00 0.01 0.00 0.00 42.46 40.25 2qal s ILE 144 CO 0.13 0.40 1.68 -0.13 0.00 0.00 0.00 174.94 177.02 2qal s ARG 145 N -1.26 4.19 0.30 2.79 1.81 -0.10 -4.73 118.95 121.96 2qal s ARG 145 Ca 0.14 2.32 0.06 0.00 -1.72 0.00 0.00 55.73 56.53 2qal s ARG 145 Cb -0.11 -3.73 0.78 0.00 -0.45 0.00 0.00 34.95 31.45 2qal s ARG 145 CO 0.04 -0.77 1.71 1.05 -0.68 0.00 0.00 175.30 176.65 2qal h GLU 146 N 8.76 0.44 0.00 3.54 -0.00 -1.97 1.18 114.58 126.54 2qal h GLU 146 Ca -0.42 -0.03 0.00 0.00 -0.00 0.00 0.00 59.36 58.91 2qal h GLU 146 Cb 1.20 -0.10 0.00 0.00 -0.00 0.00 0.00 28.75 29.85 2qal h GLU 146 CO 0.93 0.29 0.00 0.36 -0.00 0.00 0.00 179.01 180.60 2qal n LYS 147 N -4.99 0.26 0.00 1.06 -0.00 -1.26 -1.35 118.16 111.87 2qal n LYS 147 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.55 2qal n LYS 147 Cb 0.69 -1.45 0.00 0.00 -0.00 0.00 0.00 35.03 34.27 2qal n LYS 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qal n ALA 148 N -0.95 0.44 0.20 0.58 0.00 0.35 -4.77 120.51 116.35 2qal n ALA 148 Ca 0.06 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.57 2qal n ALA 148 Cb 0.03 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.62 2qal n ALA 148 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2qal h LYS 149 N 0.00 0.00 -0.52 0.00 2.10 0.13 -2.92 116.57 115.36 2qal h LYS 149 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2qal h LYS 149 Cb 0.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.48 2qal h LYS 149 CO 0.00 0.06 0.00 1.17 -2.00 0.00 0.00 179.45 178.68 2qal n LYS 150 N -3.08 2.34 -0.74 0.07 3.00 -1.20 -4.78 118.16 113.78 2qal n LYS 150 Ca 0.03 -2.07 -0.29 0.00 -0.00 0.00 0.00 58.31 55.99 2qal n LYS 150 Cb 0.56 -1.47 0.24 0.00 0.00 0.00 0.00 35.03 34.36 2qal n LYS 150 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 2qal s GLN 151 N -1.31 -0.86 -0.13 1.64 0.74 -1.11 -5.00 119.66 113.63 2qal s GLN 151 Ca 0.39 0.58 -0.12 0.00 0.05 0.00 0.00 55.36 56.25 2qal s GLN 151 Cb 0.21 -1.58 -0.10 0.00 1.10 0.00 0.00 33.01 32.63 2qal s GLN 151 CO 0.28 -3.62 0.24 1.03 -0.55 0.00 0.00 175.29 172.67 2qal h SER 152 N -2.53 0.00 -0.83 6.67 0.87 -1.92 -3.38 113.55 112.43 2qal h SER 152 Ca -0.58 -0.36 0.20 0.00 -1.23 0.00 0.00 61.79 59.83 2qal h SER 152 Cb 1.34 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 63.16 2qal h SER 152 CO 0.50 0.78 0.13 0.08 -0.53 0.00 0.00 176.83 177.79 2qal h ARG 153 N -1.00 0.16 0.00 2.24 0.11 -1.95 -2.89 114.38 111.05 2qal h ARG 153 Ca -0.03 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.04 2qal h ARG 153 Cb 0.50 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.55 2qal h ARG 153 CO -0.02 0.10 0.00 1.33 0.10 0.00 0.00 179.97 181.48 2qal n VAL 154 N -5.28 0.00 -0.15 0.08 0.24 -1.26 -0.89 118.33 111.06 2qal n VAL 154 Ca 0.18 1.48 -0.03 0.00 -2.04 0.00 0.00 64.34 63.93 2qal n VAL 154 Cb 0.58 -2.13 0.04 0.00 -1.47 0.00 0.00 33.84 30.86 2qal n VAL 154 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 2qal h LYS 155 N 0.00 0.03 -0.91 7.34 2.10 -1.73 0.13 116.57 123.54 2qal h LYS 155 Ca 0.00 -0.00 0.23 0.00 -2.00 0.00 0.00 60.65 58.88 2qal h LYS 155 Cb 0.00 -0.01 -0.06 0.00 -0.90 0.00 0.00 32.23 31.26 2qal h LYS 155 CO 0.00 0.02 0.62 0.00 -2.00 0.00 0.00 179.45 178.09 2qal h ALA 156 N 1.47 2.41 0.07 0.07 0.00 -1.27 0.37 119.26 122.38 2qal h ALA 156 Ca 0.24 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2qal h ALA 156 Cb 0.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2qal h ALA 156 CO -0.47 -0.70 -0.04 0.00 0.00 0.00 0.00 179.25 178.04 2qal h ALA 157 N 1.59 -0.10 0.00 0.00 0.00 0.12 -2.63 119.26 118.25 2qal h ALA 157 Ca 0.47 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2qal h ALA 157 Cb 1.38 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2qal h ALA 157 CO -0.13 -0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.00 2qal n LEU 158 N -4.98 0.00 -0.24 0.00 4.32 -0.21 -2.87 117.00 113.03 2qal n LEU 158 Ca -0.08 0.41 -0.02 0.00 -0.02 0.00 0.00 56.01 56.29 2qal n LEU 158 Cb 0.20 -0.41 0.17 0.00 -1.62 0.00 0.00 43.42 41.75 2qal n LEU 158 CO 0.33 -0.21 1.13 -0.08 -1.22 0.00 0.00 177.39 177.34 2qal h GLU 159 N 0.00 1.05 -0.08 3.23 4.81 -0.61 -2.92 114.58 120.06 2qal h GLU 159 Ca 0.00 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2qal h GLU 159 Cb 0.20 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2qal h GLU 159 CO 0.00 0.79 0.00 1.47 -0.73 0.00 0.00 179.01 180.54 2qal n LEU 160 N -4.34 2.16 0.32 1.64 -0.00 -1.14 -4.51 117.00 111.14 2qal n LEU 160 Ca 0.07 -1.20 -0.16 0.00 -0.00 0.00 0.00 56.01 54.72 2qal n LEU 160 Cb 0.12 -0.05 -0.08 0.00 -0.00 0.00 0.00 43.42 43.41 2qal n LEU 160 CO 0.39 0.45 0.57 0.00 -0.00 0.00 0.00 177.39 178.79 2qal h ALA 161 N 2.22 -0.81 0.00 1.47 0.00 -1.39 0.40 119.26 121.16 2qal h ALA 161 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2qal h ALA 161 Cb 0.53 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 2qal h ALA 161 CO 0.00 -0.88 -0.03 1.05 0.00 0.00 0.00 179.25 179.39 2qal h GLU 162 N -0.95 0.00 -0.30 0.00 9.09 -1.82 0.14 114.58 120.74 2qal h GLU 162 Ca -0.08 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.18 2qal h GLU 162 Cb 0.66 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.76 2qal h GLU 162 CO 0.14 0.03 -0.40 1.96 0.05 0.00 0.00 179.01 180.78 2qal h GLN 163 N 0.00 0.72 0.00 1.06 4.20 -1.63 -3.44 115.11 116.01 2qal h GLN 163 Ca -0.00 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 58.34 2qal h GLN 163 Cb 0.05 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2qal h GLN 163 CO 0.00 0.99 0.00 -2.13 -0.67 0.00 0.00 178.83 177.02 2qal n ARG 164 N -4.04 0.07 0.00 1.46 3.00 0.14 -5.08 116.66 112.21 2qal n ARG 164 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 2qal n ARG 164 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.99 2qal n ARG 164 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2qal n GLU 165 N -0.86 2.06 -3.68 -0.14 4.07 -1.26 -4.95 120.64 115.89 2qal n GLU 165 Ca 0.00 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.00 2qal n GLU 165 Cb 0.00 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.29 2qal n GLU 165 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2qal s LYS 166 N 0.00 0.56 -1.02 5.31 1.02 -1.26 -4.75 119.74 119.60 2qal s LYS 166 Ca 0.00 0.92 -0.23 0.00 0.02 0.00 0.00 55.97 56.68 2qal s LYS 166 Cb 0.00 0.11 0.04 0.00 -0.52 0.00 0.00 37.83 37.46 2qal s LYS 166 CO 0.00 -0.14 1.52 -1.25 -0.92 0.00 0.00 175.35 174.57 2qal s PRO 167 N 1.20 3.47 -0.16 -1.68 0.04 -1.26 -4.88 135.00 131.73 2qal s PRO 167 Ca -0.07 -1.05 -0.03 0.00 0.04 0.00 0.00 61.00 59.89 2qal s PRO 167 Cb -0.06 -5.33 -0.11 0.00 0.04 0.00 0.00 34.50 29.04 2qal s PRO 167 CO -0.12 -2.36 1.97 0.25 0.04 0.00 0.00 177.00 176.78 2qal n THR 168 N 7.00 1.55 -1.37 1.26 -2.24 -1.26 -2.51 114.28 116.71 2qal n THR 168 Ca 0.34 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 2qal n THR 168 Cb 0.50 -1.80 0.00 0.00 -2.10 0.00 0.00 70.33 66.94 2qal n THR 168 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 2qal n TRP 169 N 3.09 0.00 -3.64 4.78 2.14 -1.26 -5.01 117.44 117.55 2qal n TRP 169 Ca 0.24 0.00 -0.10 0.00 2.07 0.00 0.00 57.50 59.70 2qal n TRP 169 Cb 0.37 0.17 -0.07 0.00 -0.81 0.00 0.00 31.31 30.96 2qal n TRP 169 CO 0.00 0.00 0.00 -0.48 2.07 0.00 0.00 177.69 179.28 2qal s LEU 170 N 0.00 -0.76 0.39 5.67 0.05 -1.04 -2.03 118.68 120.95 2qal s LEU 170 Ca 0.00 1.36 -0.13 0.00 0.05 0.00 0.00 54.13 55.41 2qal s LEU 170 Cb 0.00 2.32 -0.08 0.00 -2.05 0.00 0.00 46.19 46.39 2qal s LEU 170 CO 0.00 -0.23 0.79 -1.61 -0.55 0.00 0.00 176.35 174.75 2qal s GLU 171 N 0.81 3.90 -0.29 1.48 2.02 -0.16 -4.85 118.70 121.61 2qal s GLU 171 Ca -0.03 0.63 0.03 0.00 0.02 0.00 0.00 54.97 55.61 2qal s GLU 171 Cb -0.05 -2.37 0.18 0.00 0.10 0.00 0.00 34.13 31.99 2qal s GLU 171 CO -0.07 0.01 0.50 0.54 0.02 0.00 0.00 175.26 176.26 2qal s VAL 172 N -2.25 -0.83 -0.88 2.63 0.11 -1.26 0.78 120.40 118.69 2qal s VAL 172 Ca 0.54 -0.12 -0.21 0.00 -2.93 0.00 0.00 61.98 59.26 2qal s VAL 172 Cb -0.10 -0.98 0.09 0.00 -1.53 0.00 0.00 36.38 33.86 2qal s VAL 172 CO 0.25 -0.12 1.18 -0.62 -3.33 0.00 0.00 175.10 172.46 2qal s ASP 173 N 2.70 6.47 0.64 3.54 -1.08 -1.24 -4.85 116.67 122.86 2qal s ASP 173 Ca 0.11 -1.59 0.30 0.00 -0.52 0.00 0.00 52.55 50.86 2qal s ASP 173 Cb -0.12 -2.45 1.64 0.00 -1.46 0.00 0.00 42.92 40.53 2qal s ASP 173 CO -0.26 -1.30 1.96 0.00 0.52 0.00 0.00 175.17 176.09 2qal h ALA 174 N 9.29 1.55 0.19 3.66 0.00 -1.95 -1.01 119.26 130.99 2qal h ALA 174 Ca 0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2qal h ALA 174 Cb 1.03 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2qal h ALA 174 CO 1.21 -0.39 -0.30 0.78 0.00 0.00 0.00 179.25 180.55 2qal h GLY 175 N 0.00 -1.11 -2.80 0.00 0.00 -1.96 -3.15 103.07 94.05 2qal h GLY 175 Ca 0.06 0.53 -0.21 0.00 0.00 0.00 0.00 47.33 47.71 2qal h GLY 175 CO -0.00 -0.34 0.17 0.28 0.00 0.00 0.00 176.54 176.65 2qal n LYS 176 N -4.17 2.77 -3.41 4.80 4.01 -1.11 -4.95 118.16 116.10 2qal n LYS 176 Ca -0.06 -3.06 -0.18 0.00 -0.51 0.00 0.00 58.31 54.50 2qal n LYS 176 Cb 0.25 -2.02 0.07 0.00 -0.51 0.00 0.00 35.03 32.83 2qal n LYS 176 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 2qal n MET 177 N -0.68 -3.58 -2.59 1.97 2.81 -0.93 -4.79 117.12 109.33 2qal n MET 177 Ca 0.38 0.78 -0.15 0.00 -1.81 0.00 0.00 57.70 56.89 2qal n MET 177 Cb 1.23 -5.55 0.05 0.00 -0.71 0.00 0.00 33.22 28.23 2qal n MET 177 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2qal n GLU 178 N -3.71 0.71 0.00 0.03 -0.58 -0.43 -3.05 120.64 113.61 2qal n GLU 178 Ca -0.16 -2.44 0.00 0.00 -0.42 0.00 0.00 57.16 54.15 2qal n GLU 178 Cb 0.64 -0.15 0.00 0.00 -0.57 0.00 0.00 31.44 31.36 2qal n GLU 178 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qal n GLY 179 N -0.44 -1.53 3.80 0.62 0.00 -0.40 -3.68 105.19 103.56 2qal n GLY 179 Ca 0.11 0.94 -0.35 0.00 0.00 0.00 0.00 46.02 46.72 2qal n GLY 179 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qal s THR 180 N 0.00 4.25 -1.07 2.61 2.01 0.23 0.21 115.64 123.88 2qal s THR 180 Ca 0.00 1.66 -0.06 0.00 0.31 0.00 0.00 61.69 63.60 2qal s THR 180 Cb 0.00 -3.82 0.28 0.00 0.01 0.00 0.00 72.50 68.97 2qal s THR 180 CO 0.00 -0.05 1.19 0.33 -0.69 0.00 0.00 174.62 175.40 2qal n PHE 181 N 0.04 4.18 -0.17 4.92 7.35 0.13 -0.99 117.46 132.92 2qal n PHE 181 Ca 0.04 -3.52 -0.04 0.00 -0.76 0.00 0.00 57.45 53.17 2qal n PHE 181 Cb 0.52 -1.48 -0.04 0.00 0.35 0.00 0.00 39.48 38.83 2qal n PHE 181 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2qal n LYS 182 N 2.15 -0.18 -3.73 -4.13 5.02 -1.15 0.39 118.16 116.54 2qal n LYS 182 Ca 0.25 1.19 -0.03 0.00 -2.02 0.00 0.00 58.31 57.69 2qal n LYS 182 Cb 0.37 -1.76 -0.01 0.00 -0.02 0.00 0.00 35.03 33.60 2qal n LYS 182 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2qal s ARG 183 N -4.01 1.09 0.33 1.97 1.04 -0.86 -4.10 118.95 114.40 2qal s ARG 183 Ca -0.05 -0.59 -0.29 0.00 -1.04 0.00 0.00 55.73 53.76 2qal s ARG 183 Cb 0.04 0.38 -0.12 0.00 -2.04 0.00 0.00 34.95 33.21 2qal s ARG 183 CO 0.25 -0.50 1.34 1.63 -0.04 0.00 0.00 175.30 177.98 2qal n LYS 184 N -0.46 2.19 -2.25 3.89 4.76 -1.26 -4.75 118.16 120.27 2qal n LYS 184 Ca -0.06 0.77 -0.43 0.00 -2.87 0.00 0.00 58.31 55.72 2qal n LYS 184 Cb 0.61 -2.38 -0.02 0.00 -1.84 0.00 0.00 35.03 31.39 2qal n LYS 184 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2qal s PRO 185 N -1.62 3.49 0.86 1.97 0.04 -1.26 -4.98 135.00 133.50 2qal s PRO 185 Ca 0.57 1.05 -0.13 0.00 0.04 0.00 0.00 61.00 62.54 2qal s PRO 185 Cb -0.57 -4.08 0.06 0.00 0.04 0.00 0.00 34.50 29.95 2qal s PRO 185 CO 0.60 -1.67 0.80 -1.91 0.04 0.00 0.00 177.00 174.86 2qal n GLU 186 N 8.21 -0.07 0.12 4.56 0.00 -1.26 -4.64 120.64 127.56 2qal n GLU 186 Ca 0.18 0.04 0.20 0.00 0.00 0.00 0.00 57.16 57.58 2qal n GLU 186 Cb 0.48 -2.12 0.72 0.00 0.00 0.00 0.00 31.44 30.51 2qal n GLU 186 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2qal h ARG 187 N -1.20 0.00 0.00 5.31 9.65 -1.95 -1.80 114.38 124.38 2qal h ARG 187 Ca -0.45 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.43 2qal h ARG 187 Cb 1.30 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.88 2qal h ARG 187 CO 0.40 0.00 0.00 0.43 2.80 0.00 0.00 179.97 183.60 2qal n SER 188 N -3.48 0.00 0.02 -3.80 7.64 -1.26 -1.00 113.62 111.73 2qal n SER 188 Ca 0.07 0.56 0.01 0.00 1.01 0.00 0.00 58.87 60.52 2qal n SER 188 Cb 0.65 -0.39 0.06 0.00 -1.01 0.00 0.00 64.21 63.52 2qal n SER 188 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2qal n ASP 189 N -1.68 0.06 -0.03 6.43 5.68 -1.13 -0.02 116.55 125.87 2qal n ASP 189 Ca 0.00 0.50 0.06 0.00 -0.50 0.00 0.00 54.79 54.85 2qal n ASP 189 Cb 0.00 -0.50 -0.06 0.00 -1.14 0.00 0.00 41.12 39.41 2qal n ASP 189 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 2qal n LEU 190 N -1.55 0.66 0.00 -2.12 0.00 -0.69 -4.91 117.00 108.38 2qal n LEU 190 Ca -0.00 -0.53 -0.21 0.00 0.00 0.00 0.00 56.01 55.27 2qal n LEU 190 Cb 0.04 0.00 0.20 0.00 0.00 0.00 0.00 43.42 43.66 2qal n LEU 190 CO 0.01 0.16 0.24 -1.54 0.00 0.00 0.00 177.39 176.26 2qal n SER 191 N -1.18 -3.48 0.00 1.96 3.41 0.98 -5.02 113.62 110.28 2qal n SER 191 Ca 0.03 -0.61 0.00 0.00 -0.26 0.00 0.00 58.87 58.03 2qal n SER 191 Cb 0.20 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 2qal n SER 191 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qal n ALA 192 N -4.89 0.00 0.56 7.33 0.00 -1.26 -4.92 120.51 117.32 2qal n ALA 192 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2qal n ALA 192 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2qal n ALA 192 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2qal n ASP 193 N 2.38 2.61 -4.14 0.00 8.00 -1.26 -4.63 116.55 119.50 2qal n ASP 193 Ca 0.00 -1.62 -0.35 0.00 0.71 0.00 0.00 54.79 53.53 2qal n ASP 193 Cb 0.00 -0.47 -0.13 0.00 -0.02 0.00 0.00 41.12 40.50 2qal n ASP 193 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2qal s ILE 194 N 0.28 3.00 -0.49 0.53 2.07 -1.26 -5.06 121.20 120.27 2qal s ILE 194 Ca 0.00 -1.67 -0.16 0.00 -1.41 0.00 0.00 60.65 57.41 2qal s ILE 194 Cb 0.00 -2.87 0.08 0.00 0.13 0.00 0.00 42.46 39.81 2qal s ILE 194 CO 0.00 -0.32 0.44 0.54 -1.91 0.00 0.00 174.94 173.69 2qal s ASN 195 N 1.39 6.16 0.11 4.50 2.20 -1.26 -4.97 114.94 123.07 2qal s ASN 195 Ca 0.00 -1.39 -0.20 0.00 -0.94 0.00 0.00 52.86 50.33 2qal s ASN 195 Cb -0.21 -2.20 -0.08 0.00 -2.00 0.00 0.00 41.25 36.76 2qal s ASN 195 CO -0.03 -0.72 1.75 1.05 -2.94 0.00 0.00 177.10 176.22 2qal h GLU 196 N 8.81 0.23 -1.14 3.55 9.09 -1.97 -3.12 114.58 130.04 2qal h GLU 196 Ca -0.29 -0.02 0.43 0.00 0.05 0.00 0.00 59.36 59.54 2qal h GLU 196 Cb 1.11 -0.05 -0.16 0.00 -1.65 0.00 0.00 28.75 28.00 2qal h GLU 196 CO 0.92 0.18 0.68 -2.39 0.05 0.00 0.00 179.01 178.45 2qal n HIS 197 N -4.95 0.92 -0.25 2.06 1.44 -1.26 0.16 115.22 113.34 2qal n HIS 197 Ca -0.04 0.93 0.17 0.00 -2.01 0.00 0.00 57.72 56.77 2qal n HIS 197 Cb 0.04 -1.35 0.47 0.00 0.12 0.00 0.00 29.99 29.28 2qal n HIS 197 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2qal h LEU 198 N 0.00 0.48 0.13 2.39 6.46 -1.96 -1.47 115.31 121.34 2qal h LEU 198 Ca 0.83 0.05 -0.36 0.00 -0.12 0.00 0.00 57.88 58.28 2qal h LEU 198 Cb 2.44 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 42.31 2qal h LEU 198 CO -0.61 0.20 -1.97 0.16 -0.62 0.00 0.00 178.44 175.60 2qal h ILE 199 N 0.48 0.66 -0.10 4.05 3.07 0.14 -3.22 117.51 122.59 2qal h ILE 199 Ca 0.47 -2.37 0.03 0.00 1.55 0.00 0.00 64.86 64.55 2qal h ILE 199 Cb 1.07 2.54 -0.00 0.00 -0.27 0.00 0.00 36.82 40.16 2qal h ILE 199 CO -0.20 0.90 0.19 -0.37 -1.05 0.00 0.00 178.15 177.62 2qal h VAL 200 N 0.08 0.25 0.20 0.16 -1.51 -0.84 0.13 116.25 114.71 2qal h VAL 200 Ca -0.41 0.00 -0.33 0.00 -1.23 0.00 0.00 66.70 64.73 2qal h VAL 200 Cb 2.04 0.83 0.02 0.00 -2.13 0.00 0.00 31.29 32.05 2qal h VAL 200 CO 0.10 0.00 -1.55 -0.33 -1.23 0.00 0.00 177.57 174.56 2qal h GLU 201 N 0.00 0.42 -0.08 5.19 5.08 -1.40 -3.27 114.58 120.52 2qal h GLU 201 Ca 0.05 -0.72 0.02 0.00 -1.00 0.00 0.00 59.36 57.71 2qal h GLU 201 Cb 0.43 0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 2qal h GLU 201 CO -0.00 1.35 0.13 1.25 -1.00 0.00 0.00 179.01 180.74 2qal h LEU 202 N 0.04 0.00 -2.38 1.33 5.85 -0.78 0.19 115.31 119.56 2qal h LEU 202 Ca -0.30 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 2qal h LEU 202 Cb 2.05 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 43.08 2qal h LEU 202 CO 0.20 0.00 0.01 -1.22 -0.34 0.00 0.00 178.44 177.08 2qal n TYR 203 N -3.52 1.13 -1.69 1.25 0.53 -0.83 -3.46 117.16 110.57 2qal n TYR 203 Ca -0.01 -0.41 0.00 0.00 -1.02 0.00 0.00 57.90 56.47 2qal n TYR 203 Cb 0.22 -0.33 0.00 0.00 -1.03 0.00 0.00 39.34 38.20 2qal n TYR 203 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 2qal n SER 204 N 0.32 0.00 0.00 7.72 7.64 0.65 -5.08 113.62 124.86 2qal n SER 204 Ca 0.15 -1.56 0.10 0.00 1.01 0.00 0.00 58.87 58.57 2qal n SER 204 Cb 0.77 -0.11 0.62 0.00 -1.01 0.00 0.00 64.21 64.47 2qal n SER 204 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20