#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mg3 s ALA 6 N 0.00 2.21 -0.07 4.31 0.00 -1.26 -5.11 121.76 121.83 1mg3 s ALA 6 Ca 0.00 -1.07 0.05 0.00 0.00 0.00 0.00 51.96 50.93 1mg3 s ALA 6 Cb 0.00 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 22.12 1mg3 s ALA 6 CO 0.00 -0.04 -0.22 -1.21 0.00 0.00 0.00 175.76 174.28 1mg3 s GLU 7 N 0.84 2.75 0.72 0.00 2.02 -1.26 -5.04 118.70 118.74 1mg3 s GLU 7 Ca -0.07 -0.85 -0.11 0.00 0.02 0.00 0.00 54.97 53.96 1mg3 s GLU 7 Cb -0.15 -2.27 0.02 0.00 0.10 0.00 0.00 34.13 31.83 1mg3 s GLU 7 CO -0.02 0.34 1.07 0.95 0.02 0.00 0.00 175.26 177.62 1mg3 s THR 8 N -0.05 3.76 0.20 3.63 -4.23 -1.26 -4.84 115.64 112.85 1mg3 s THR 8 Ca -0.06 0.57 -0.11 0.00 -1.18 0.00 0.00 61.69 60.91 1mg3 s THR 8 Cb -0.15 -3.35 0.12 0.00 1.34 0.00 0.00 72.50 70.46 1mg3 s THR 8 CO 0.05 -0.75 1.80 -0.61 -0.54 0.00 0.00 174.62 174.57 1mg3 h GLN 9 N -0.79 0.59 -0.71 3.99 4.15 -2.00 -1.28 115.11 119.06 1mg3 h GLN 9 Ca -0.45 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 58.87 1mg3 h GLN 9 Cb 1.23 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.76 1mg3 h GLN 9 CO 0.58 0.39 0.17 0.00 -1.93 0.00 0.00 178.83 178.05 1mg3 h ALA 10 N 1.32 0.96 -0.76 3.38 0.00 -1.92 -1.88 119.26 120.36 1mg3 h ALA 10 Ca 0.27 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1mg3 h ALA 10 Cb 0.16 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1mg3 h ALA 10 CO -0.17 0.67 0.50 0.37 0.00 0.00 0.00 179.25 180.61 1mg3 h GLN 11 N 1.07 0.79 0.08 0.00 4.15 -1.60 -1.18 115.11 118.41 1mg3 h GLN 11 Ca 0.22 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.59 1mg3 h GLN 11 Cb 0.37 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.88 1mg3 h GLN 11 CO 0.00 0.52 -0.04 1.49 -1.93 0.00 0.00 178.83 178.88 1mg3 h GLU 12 N 0.81 -0.10 -0.48 1.69 4.81 -0.89 -2.51 114.58 117.91 1mg3 h GLU 12 Ca 0.33 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.66 1mg3 h GLU 12 Cb 0.25 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.56 1mg3 h GLU 12 CO -0.11 0.43 -0.09 1.15 -0.73 0.00 0.00 179.01 179.66 1mg3 h THR 13 N -0.72 0.54 -0.31 0.32 2.02 -1.01 0.30 112.91 114.05 1mg3 h THR 13 Ca -0.01 -0.01 0.01 0.00 0.77 0.00 0.00 66.41 67.18 1mg3 h THR 13 Cb 0.58 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1mg3 h THR 13 CO 0.02 0.00 0.17 1.56 0.37 0.00 0.00 175.52 177.65 1mg3 h GLN 14 N 0.02 0.35 -0.82 6.66 4.20 -1.30 -1.02 115.11 123.20 1mg3 h GLN 14 Ca 0.23 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.95 1mg3 h GLN 14 Cb 0.35 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.01 1mg3 h GLN 14 CO -0.47 0.23 0.53 0.78 -0.67 0.00 0.00 178.83 179.23 1mg3 h GLY 15 N 0.36 1.20 1.73 3.46 0.00 -0.70 -0.51 103.07 108.61 1mg3 h GLY 15 Ca 0.12 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 46.95 1mg3 h GLY 15 CO -0.06 0.34 -0.38 1.46 0.00 0.00 0.00 176.54 177.89 1mg3 h GLN 16 N 1.02 0.31 -0.17 4.80 4.20 -0.08 -0.67 115.11 124.51 1mg3 h GLN 16 Ca 0.33 -0.14 -0.16 0.00 0.06 0.00 0.00 58.65 58.74 1mg3 h GLN 16 Cb 0.02 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1mg3 h GLN 16 CO -0.12 0.65 -0.55 0.00 -0.67 0.00 0.00 178.83 178.14 1mg3 h ALA 17 N 1.34 0.71 -0.02 3.87 0.00 -0.44 0.61 119.26 125.32 1mg3 h ALA 17 Ca 0.03 -0.51 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 1mg3 h ALA 17 Cb 0.80 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1mg3 h ALA 17 CO 0.06 0.69 -0.60 0.00 0.00 0.00 0.00 179.25 179.41 1mg3 h ALA 18 N 0.99 0.96 -0.11 0.00 0.00 -0.87 -2.56 119.26 117.67 1mg3 h ALA 18 Ca 0.01 -0.54 -0.07 0.00 0.00 0.00 0.00 54.91 54.31 1mg3 h ALA 18 Cb 1.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1mg3 h ALA 18 CO 0.10 0.74 -0.21 0.00 0.00 0.00 0.00 179.25 179.88 1mg3 h ALA 19 N 1.34 0.17 0.00 0.00 0.00 -0.78 -1.52 119.26 118.47 1mg3 h ALA 19 Ca -0.01 -0.37 0.03 0.00 0.00 0.00 0.00 54.91 54.56 1mg3 h ALA 19 Cb 1.07 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1mg3 h ALA 19 CO 0.08 0.12 -0.24 -0.09 0.00 0.00 0.00 179.25 179.12 1mg3 h ARG 20 N -0.10 -0.37 0.25 0.00 9.65 -0.79 -0.58 114.38 122.44 1mg3 h ARG 20 Ca 0.01 0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.90 1mg3 h ARG 20 Cb 0.79 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.45 1mg3 h ARG 20 CO 0.05 -0.24 -0.17 0.00 2.80 0.00 0.00 179.97 182.40 1mg3 h ALA 21 N 0.46 -0.40 -0.62 2.80 0.00 -1.51 -0.81 119.26 119.18 1mg3 h ALA 21 Ca 0.06 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.02 1mg3 h ALA 21 Cb 0.46 0.22 -0.12 0.00 0.00 0.00 0.00 17.79 18.35 1mg3 h ALA 21 CO -0.22 -0.74 -0.23 0.00 0.00 0.00 0.00 179.25 178.07 1mg3 h ALA 22 N 0.31 0.25 0.49 0.00 0.00 -0.98 0.52 119.26 119.85 1mg3 h ALA 22 Ca -0.02 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1mg3 h ALA 22 Cb 0.35 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1mg3 h ALA 22 CO 0.01 -0.52 -0.24 0.00 0.00 0.00 0.00 179.25 178.50 1mg3 h ALA 23 N 1.40 -0.66 -0.85 0.00 0.00 -0.90 -2.10 119.26 116.13 1mg3 h ALA 23 Ca 0.28 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 55.16 1mg3 h ALA 23 Cb 0.51 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 1mg3 h ALA 23 CO -0.67 -0.82 0.55 0.00 0.00 0.00 0.00 179.25 178.32 1mg3 h ALA 24 N -0.31 1.85 -0.55 0.00 0.00 -0.31 -0.93 119.26 119.01 1mg3 h ALA 24 Ca -0.07 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1mg3 h ALA 24 Cb 0.56 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1mg3 h ALA 24 CO 0.11 -0.07 0.09 -0.44 0.00 0.00 0.00 179.25 178.94 1mg3 h ASP 25 N 0.66 0.87 0.40 0.00 3.45 0.20 -1.86 116.42 120.15 1mg3 h ASP 25 Ca 0.42 -0.26 -0.02 0.00 0.43 0.00 0.00 57.03 57.60 1mg3 h ASP 25 Cb 0.68 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 39.22 1mg3 h ASP 25 CO -0.18 0.91 -0.19 0.25 -1.57 0.00 0.00 179.24 178.46 1mg3 h LEU 26 N 0.80 -0.45 -0.90 1.55 6.46 -0.52 -0.52 115.31 121.72 1mg3 h LEU 26 Ca 0.17 0.02 0.09 0.00 -0.12 0.00 0.00 57.88 58.03 1mg3 h LEU 26 Cb 0.40 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.44 1mg3 h LEU 26 CO 0.01 -0.30 0.86 0.00 -0.62 0.00 0.00 178.44 178.39 1mg3 h ALA 27 N -1.70 2.13 -0.43 1.25 0.00 -1.23 0.59 119.26 119.87 1mg3 h ALA 27 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1mg3 h ALA 27 Cb 0.41 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1mg3 h ALA 27 CO 0.09 -1.02 0.00 0.00 0.00 0.00 0.00 179.25 178.32 1mg3 n ALA 28 N -1.86 2.38 -0.76 0.00 0.00 -0.70 -4.97 120.51 114.59 1mg3 n ALA 28 Ca 0.06 -1.05 0.00 0.00 0.00 0.00 0.00 53.44 52.45 1mg3 n ALA 28 Cb 0.97 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.64 1mg3 n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mg3 n GLY 29 N 1.32 0.57 3.75 0.00 0.00 0.21 -5.05 105.19 106.00 1mg3 n GLY 29 Ca 0.18 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 1mg3 n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mg3 s GLN 30 N -0.87 4.51 -0.03 1.61 -0.21 -0.23 -5.04 119.66 119.40 1mg3 s GLN 30 Ca 0.00 1.08 -0.05 0.00 0.02 0.00 0.00 55.36 56.41 1mg3 s GLN 30 Cb 0.00 -3.34 -0.04 0.00 1.00 0.00 0.00 33.01 30.63 1mg3 s GLN 30 CO 0.00 0.36 0.20 -0.51 -2.12 0.00 0.00 175.29 173.22 1mg3 s ASP 31 N -0.34 6.42 -0.10 5.90 1.01 -1.26 -4.47 116.67 123.83 1mg3 s ASP 31 Ca 0.38 0.45 -0.30 0.00 0.71 0.00 0.00 52.55 53.79 1mg3 s ASP 31 Cb -0.21 -2.05 -0.03 0.00 1.01 0.00 0.00 42.92 41.65 1mg3 s ASP 31 CO 0.24 0.30 1.24 -1.81 0.21 0.00 0.00 175.17 175.35 1mg3 s ASP 32 N -1.64 6.99 -0.41 0.27 -0.00 -1.26 -4.98 116.67 115.63 1mg3 s ASP 32 Ca 0.24 1.78 0.01 0.00 -0.00 0.00 0.00 52.55 54.59 1mg3 s ASP 32 Cb -0.13 -2.55 0.14 0.00 -0.00 0.00 0.00 42.92 40.38 1mg3 s ASP 32 CO 0.14 -0.67 0.23 -1.61 -0.00 0.00 0.00 175.17 173.26 1mg3 s GLU 33 N 2.81 1.05 0.46 8.23 2.02 -1.26 -5.13 118.70 126.88 1mg3 s GLU 33 Ca 0.56 -1.79 -0.23 0.00 0.02 0.00 0.00 54.97 53.52 1mg3 s GLU 33 Cb -0.24 -2.00 -0.09 0.00 0.10 0.00 0.00 34.13 31.90 1mg3 s GLU 33 CO 0.19 -1.18 1.05 -2.30 0.02 0.00 0.00 175.26 173.04 1mg3 n PRO 34 N 3.69 1.37 -1.56 0.39 -0.02 -1.26 -5.03 135.00 132.58 1mg3 n PRO 34 Ca 0.10 0.49 -0.02 0.00 -2.02 0.00 0.00 63.50 62.06 1mg3 n PRO 34 Cb 0.35 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1mg3 n PRO 34 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1mg3 n ARG 35 N -0.11 0.16 -3.88 -0.52 1.85 -1.26 -5.15 116.66 107.76 1mg3 n ARG 35 Ca 0.10 -0.37 -0.35 0.00 -1.00 0.00 0.00 57.85 56.22 1mg3 n ARG 35 Cb 0.41 0.43 -0.14 0.00 -1.05 0.00 0.00 32.46 32.12 1mg3 n ARG 35 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1mg3 s ILE 36 N -2.77 3.50 0.96 8.89 1.01 -1.26 -5.10 121.20 126.42 1mg3 s ILE 36 Ca 0.03 -0.50 -0.11 0.00 0.00 0.00 0.00 60.65 60.07 1mg3 s ILE 36 Cb -0.01 -2.63 0.16 0.00 0.01 0.00 0.00 42.46 40.00 1mg3 s ILE 36 CO 0.02 0.37 1.09 -0.76 0.00 0.00 0.00 174.94 175.66 1mg3 s LEU 37 N 1.49 2.10 -0.05 2.97 1.02 -1.26 -5.06 118.68 119.89 1mg3 s LEU 37 Ca 0.05 1.66 0.06 0.00 0.02 0.00 0.00 54.13 55.92 1mg3 s LEU 37 Cb -0.15 -3.97 -0.01 0.00 0.02 0.00 0.00 46.19 42.08 1mg3 s LEU 37 CO -0.02 -3.07 -0.22 -1.61 0.02 0.00 0.00 176.35 171.45 1mg3 s GLU 38 N -4.76 2.23 0.64 1.70 2.02 -1.26 -4.95 118.70 114.30 1mg3 s GLU 38 Ca 0.65 -0.79 -0.17 0.00 0.02 0.00 0.00 54.97 54.68 1mg3 s GLU 38 Cb -0.21 -1.92 -0.01 0.00 0.10 0.00 0.00 34.13 32.10 1mg3 s GLU 38 CO 0.59 0.34 1.19 0.00 0.02 0.00 0.00 175.26 177.39 1mg3 s ALA 39 N -0.11 2.43 0.68 5.21 0.00 0.09 -4.96 121.76 125.10 1mg3 s ALA 39 Ca -0.03 0.89 -0.16 0.00 0.00 0.00 0.00 51.96 52.66 1mg3 s ALA 39 Cb -0.13 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.58 1mg3 s ALA 39 CO 0.03 -1.34 1.17 -1.25 0.00 0.00 0.00 175.76 174.37 1mg3 s PRO 40 N -3.60 2.56 0.28 0.00 0.04 -1.26 -4.78 135.00 128.23 1mg3 s PRO 40 Ca 0.75 1.63 -0.29 0.00 0.04 0.00 0.00 61.00 63.12 1mg3 s PRO 40 Cb -0.28 -1.90 -0.14 0.00 0.04 0.00 0.00 34.50 32.23 1mg3 s PRO 40 CO 0.37 -1.48 1.19 0.00 0.04 0.00 0.00 177.00 177.12 1mg3 n ALA 41 N -2.37 0.38 -1.78 8.56 0.00 -1.26 -4.88 120.51 119.17 1mg3 n ALA 41 Ca 0.12 0.40 -0.41 0.00 0.00 0.00 0.00 53.44 53.55 1mg3 n ALA 41 Cb 0.51 -2.14 -0.01 0.00 0.00 0.00 0.00 19.45 17.81 1mg3 n ALA 41 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1mg3 s PRO 42 N -1.22 4.20 0.29 0.00 0.04 -1.26 -5.02 135.00 132.04 1mg3 s PRO 42 Ca 0.62 2.44 0.01 0.00 0.04 0.00 0.00 61.00 64.11 1mg3 s PRO 42 Cb -0.68 -3.01 -0.02 0.00 0.04 0.00 0.00 34.50 30.83 1mg3 s PRO 42 CO 0.57 -0.41 0.31 0.16 0.04 0.00 0.00 177.00 177.67 1mg3 s ASP 43 N -0.24 0.93 0.43 6.66 1.47 -1.26 -5.00 116.67 119.66 1mg3 s ASP 43 Ca 0.52 -1.52 0.19 0.00 1.18 0.00 0.00 52.55 52.91 1mg3 s ASP 43 Cb -0.44 0.54 1.11 0.00 -0.34 0.00 0.00 42.92 43.80 1mg3 s ASP 43 CO 0.59 -1.08 1.86 0.00 0.68 0.00 0.00 175.17 177.22 1mg3 h ALA 44 N 2.26 2.25 -0.01 2.11 0.00 -1.95 0.20 119.26 124.13 1mg3 h ALA 44 Ca -0.29 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1mg3 h ALA 44 Cb 1.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1mg3 h ALA 44 CO 0.41 -0.54 -0.00 0.54 0.00 0.00 0.00 179.25 179.66 1mg3 n ARG 45 N -4.50 1.28 -2.53 0.00 5.12 -1.26 -4.50 116.66 110.26 1mg3 n ARG 45 Ca 0.19 -0.41 -0.41 0.00 -1.93 0.00 0.00 57.85 55.29 1mg3 n ARG 45 Cb 0.72 -1.49 -0.04 0.00 -1.16 0.00 0.00 32.46 30.49 1mg3 n ARG 45 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1mg3 s ARG 46 N -2.01 4.58 -0.03 5.56 3.52 0.06 -0.27 118.95 130.35 1mg3 s ARG 46 Ca 0.43 1.68 0.01 0.00 -0.13 0.00 0.00 55.73 57.73 1mg3 s ARG 46 Cb 0.22 -3.31 0.01 0.00 -1.56 0.00 0.00 34.95 30.31 1mg3 s ARG 46 CO 0.36 0.03 -0.05 0.54 -0.81 0.00 0.00 175.30 175.37 1mg3 s VAL 47 N 0.06 0.51 -0.15 7.11 0.11 0.43 -4.54 120.40 123.93 1mg3 s VAL 47 Ca 0.51 -0.16 -0.07 0.00 -2.93 0.00 0.00 61.98 59.33 1mg3 s VAL 47 Cb -0.28 -0.50 -0.04 0.00 -1.53 0.00 0.00 36.38 34.02 1mg3 s VAL 47 CO 0.33 0.19 0.09 -0.31 -3.33 0.00 0.00 175.10 172.07 1mg3 s TYR 48 N 0.56 3.37 -0.17 1.54 1.51 -0.24 -0.62 117.35 123.31 1mg3 s TYR 48 Ca -0.07 0.29 0.01 0.00 -1.01 0.00 0.00 57.07 56.28 1mg3 s TYR 48 Cb -0.11 -1.99 0.02 0.00 -0.11 0.00 0.00 41.96 39.78 1mg3 s TYR 48 CO 0.00 0.43 -0.17 0.08 -1.11 0.00 0.00 175.55 174.78 1mg3 s VAL 49 N -0.34 1.84 -0.03 0.71 1.01 0.29 -0.92 120.40 122.96 1mg3 s VAL 49 Ca 0.10 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 1mg3 s VAL 49 Cb -0.12 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 1mg3 s VAL 49 CO 0.01 0.49 0.13 0.20 0.00 0.00 0.00 175.10 175.93 1mg3 s ASN 50 N 1.38 6.04 -0.33 3.32 -0.87 0.01 0.44 114.94 124.93 1mg3 s ASN 50 Ca 0.05 0.28 0.02 0.00 -1.57 0.00 0.00 52.86 51.63 1mg3 s ASN 50 Cb -0.13 -1.84 0.10 0.00 -0.02 0.00 0.00 41.25 39.36 1mg3 s ASN 50 CO -0.12 0.29 0.07 -0.62 -2.57 0.00 0.00 177.10 174.16 1mg3 s ASP 51 N -1.67 4.45 0.09 -1.22 2.15 -0.44 -1.28 116.67 118.75 1mg3 s ASP 51 Ca 0.23 -1.96 0.13 0.00 0.43 0.00 0.00 52.55 51.38 1mg3 s ASP 51 Cb -0.12 -1.31 0.59 0.00 -0.30 0.00 0.00 42.92 41.78 1mg3 s ASP 51 CO 0.14 -0.39 1.41 -2.65 -0.17 0.00 0.00 175.17 173.50 1mg3 n PRO 52 N 4.47 0.06 -3.88 4.34 -0.02 -1.26 -3.26 135.00 135.45 1mg3 n PRO 52 Ca 0.02 0.40 -0.28 0.00 -2.02 0.00 0.00 63.50 61.62 1mg3 n PRO 52 Cb 0.42 -1.63 0.02 0.00 -0.02 0.00 0.00 33.50 32.29 1mg3 n PRO 52 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1mg3 n ALA 53 N -1.59 -1.49 -3.81 3.55 0.00 -1.26 -1.44 120.51 114.47 1mg3 n ALA 53 Ca 0.02 0.09 -0.25 0.00 0.00 0.00 0.00 53.44 53.30 1mg3 n ALA 53 Cb 0.12 -3.74 0.02 0.00 0.00 0.00 0.00 19.45 15.84 1mg3 n ALA 53 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1mg3 n HIS 54 N -4.57 -1.99 -3.38 0.00 8.25 -1.26 -1.85 115.22 110.41 1mg3 n HIS 54 Ca -0.05 0.85 -0.19 0.00 -0.26 0.00 0.00 57.72 58.07 1mg3 n HIS 54 Cb 0.57 -4.15 0.07 0.00 1.12 0.00 0.00 29.99 27.60 1mg3 n HIS 54 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1mg3 n ALA 55 N -4.41 -1.43 -1.60 -1.41 0.00 -0.52 -5.00 120.51 106.14 1mg3 n ALA 55 Ca -0.19 0.19 -0.29 0.00 0.00 0.00 0.00 53.44 53.14 1mg3 n ALA 55 Cb 0.63 -3.79 0.13 0.00 0.00 0.00 0.00 19.45 16.43 1mg3 n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mg3 s ALA 56 N -3.30 1.90 0.19 0.00 0.00 -0.77 -4.94 121.76 114.84 1mg3 s ALA 56 Ca 0.30 -0.60 -0.01 0.00 0.00 0.00 0.00 51.96 51.65 1mg3 s ALA 56 Cb -0.13 -3.00 0.12 0.00 0.00 0.00 0.00 23.12 20.11 1mg3 s ALA 56 CO 0.65 -2.25 1.48 0.00 0.00 0.00 0.00 175.76 175.64 1mg3 h ALA 57 N -1.48 0.68 -4.09 0.00 0.00 -1.90 -3.40 119.26 109.09 1mg3 h ALA 57 Ca -0.49 -0.56 -0.66 0.00 0.00 0.00 0.00 54.91 53.20 1mg3 h ALA 57 Cb 1.32 -0.07 -0.25 0.00 0.00 0.00 0.00 17.79 18.80 1mg3 h ALA 57 CO 0.60 0.73 -0.86 0.14 0.00 0.00 0.00 179.25 179.86 1mg3 s VAL 58 N -3.78 2.04 0.33 0.00 -7.23 -1.26 -2.31 120.40 108.19 1mg3 s VAL 58 Ca -0.06 -1.47 0.03 0.00 -1.81 0.00 0.00 61.98 58.67 1mg3 s VAL 58 Cb 0.11 -1.77 -0.05 0.00 0.56 0.00 0.00 36.38 35.22 1mg3 s VAL 58 CO 0.83 0.22 0.09 0.42 -0.31 0.00 0.00 175.10 176.34 1mg3 s THR 59 N -0.91 0.90 0.02 5.32 -4.23 0.14 -4.83 115.64 112.05 1mg3 s THR 59 Ca 0.11 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.63 1mg3 s THR 59 Cb -0.10 -2.65 -0.02 0.00 1.34 0.00 0.00 72.50 71.08 1mg3 s THR 59 CO 0.03 0.00 -0.05 -1.10 -0.54 0.00 0.00 174.62 172.97 1mg3 s GLN 60 N -3.88 0.37 -0.07 3.99 -0.21 -1.20 -0.08 119.66 118.57 1mg3 s GLN 60 Ca 0.34 -0.55 0.05 0.00 0.02 0.00 0.00 55.36 55.22 1mg3 s GLN 60 Cb 0.07 -0.11 -0.01 0.00 1.00 0.00 0.00 33.01 33.96 1mg3 s GLN 60 CO 0.15 0.01 -0.21 -1.14 -2.12 0.00 0.00 175.29 171.98 1mg3 s GLN 61 N -1.19 2.71 -0.26 2.91 0.74 -0.08 -1.33 119.66 123.16 1mg3 s GLN 61 Ca -0.10 -0.84 -0.04 0.00 0.05 0.00 0.00 55.36 54.43 1mg3 s GLN 61 Cb -0.08 -2.28 0.01 0.00 1.10 0.00 0.00 33.01 31.76 1mg3 s GLN 61 CO -0.00 0.38 0.00 -0.06 -0.55 0.00 0.00 175.29 175.06 1mg3 s PHE 62 N -0.14 3.09 -0.23 1.67 0.40 0.17 -1.58 117.98 121.36 1mg3 s PHE 62 Ca -0.03 -1.21 -0.21 0.00 -0.60 0.00 0.00 56.93 54.87 1mg3 s PHE 62 Cb -0.14 -2.15 -0.02 0.00 0.51 0.00 0.00 43.02 41.22 1mg3 s PHE 62 CO 0.04 -0.63 0.66 0.08 0.70 0.00 0.00 175.22 176.07 1mg3 s VAL 63 N 1.42 4.97 0.01 -0.44 1.01 -0.46 -0.55 120.40 126.37 1mg3 s VAL 63 Ca 0.02 1.23 0.06 0.00 0.00 0.00 0.00 61.98 63.28 1mg3 s VAL 63 Cb -0.17 -3.97 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 1mg3 s VAL 63 CO -0.01 0.04 -0.17 -0.63 0.00 0.00 0.00 175.10 174.33 1mg3 s ILE 64 N 2.32 1.34 -0.60 2.22 1.01 0.21 -1.18 121.20 126.53 1mg3 s ILE 64 Ca 0.29 -0.88 -0.22 0.00 0.00 0.00 0.00 60.65 59.84 1mg3 s ILE 64 Cb -0.16 -1.15 0.07 0.00 0.01 0.00 0.00 42.46 41.23 1mg3 s ILE 64 CO 0.09 0.25 0.85 -0.62 0.00 0.00 0.00 174.94 175.51 1mg3 s ASP 65 N -0.74 6.22 0.38 3.58 3.68 -0.14 -0.43 116.67 129.22 1mg3 s ASP 65 Ca 0.06 -0.91 0.07 0.00 2.13 0.00 0.00 52.55 53.89 1mg3 s ASP 65 Cb -0.07 -2.38 0.78 0.00 -1.45 0.00 0.00 42.92 39.80 1mg3 s ASP 65 CO 0.00 -1.24 1.99 1.23 0.13 0.00 0.00 175.17 177.28 1mg3 h GLY 66 N 10.74 0.83 0.76 2.66 0.00 -0.95 0.62 103.07 117.74 1mg3 h GLY 66 Ca -0.28 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 1mg3 h GLY 66 CO 1.11 0.22 -0.40 -2.09 0.00 0.00 0.00 176.54 175.38 1mg3 h GLU 67 N 0.69 -0.90 0.00 4.80 4.57 -1.91 -3.15 114.58 118.69 1mg3 h GLU 67 Ca 0.27 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.51 1mg3 h GLU 67 Cb 0.19 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 1mg3 h GLU 67 CO -0.08 -0.60 -0.37 0.00 -1.18 0.00 0.00 179.01 176.79 1mg3 n ALA 68 N -2.65 2.75 -3.13 2.92 0.00 -1.10 -4.97 120.51 114.34 1mg3 n ALA 68 Ca -0.12 -0.18 -0.14 0.00 0.00 0.00 0.00 53.44 53.00 1mg3 n ALA 68 Cb 0.41 -1.28 0.07 0.00 0.00 0.00 0.00 19.45 18.65 1mg3 n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mg3 n GLY 69 N 1.36 -0.27 3.07 0.00 0.00 0.22 -4.91 105.19 104.65 1mg3 n GLY 69 Ca 0.05 0.04 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 1mg3 n GLY 69 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1mg3 s ARG 70 N -4.99 0.85 -0.28 1.61 3.52 -1.08 -4.67 118.95 113.90 1mg3 s ARG 70 Ca 0.04 -0.49 -0.25 0.00 -0.13 0.00 0.00 55.73 54.91 1mg3 s ARG 70 Cb -0.01 -0.81 0.00 0.00 -1.56 0.00 0.00 34.95 32.57 1mg3 s ARG 70 CO 0.59 0.22 0.84 0.08 -0.81 0.00 0.00 175.30 176.22 1mg3 s VAL 71 N -0.46 4.77 -1.51 7.11 1.01 -1.26 -0.96 120.40 129.10 1mg3 s VAL 71 Ca 0.03 1.40 0.17 0.00 0.00 0.00 0.00 61.98 63.58 1mg3 s VAL 71 Cb -0.05 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 1mg3 s VAL 71 CO 0.00 -0.22 0.87 2.30 0.00 0.00 0.00 175.10 178.05 1mg3 n ILE 72 N 5.48 0.00 0.00 2.22 -5.35 -0.32 -4.98 119.36 116.41 1mg3 n ILE 72 Ca 0.06 -0.32 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 1mg3 n ILE 72 Cb 0.48 1.19 0.00 0.00 -1.74 0.00 0.00 39.64 39.57 1mg3 n ILE 72 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1mg3 n GLY 73 N 1.18 -0.14 3.26 3.28 0.00 -1.14 -4.64 105.19 106.99 1mg3 n GLY 73 Ca 0.07 -0.92 -0.11 0.00 0.00 0.00 0.00 46.02 45.06 1mg3 n GLY 73 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1mg3 s MET 74 N -2.00 0.89 -0.13 1.61 -1.94 -1.26 -1.35 119.30 115.12 1mg3 s MET 74 Ca 0.00 -0.63 -0.04 0.00 -1.71 0.00 0.00 55.69 53.31 1mg3 s MET 74 Cb 0.00 0.38 0.06 0.00 2.01 0.00 0.00 34.83 37.28 1mg3 s MET 74 CO 0.00 -0.30 0.13 0.42 -0.01 0.00 0.00 175.02 175.25 1mg3 s ILE 75 N -3.11 -0.18 0.83 2.53 1.01 -0.61 -4.97 121.20 116.70 1mg3 s ILE 75 Ca -0.01 0.11 -0.11 0.00 0.00 0.00 0.00 60.65 60.64 1mg3 s ILE 75 Cb 0.01 -0.43 0.09 0.00 0.01 0.00 0.00 42.46 42.14 1mg3 s ILE 75 CO -0.07 -0.06 1.12 -1.81 0.00 0.00 0.00 174.94 174.13 1mg3 s ASP 76 N 2.22 3.83 0.19 3.58 1.01 -1.26 -0.90 116.67 125.33 1mg3 s ASP 76 Ca 0.04 2.02 -0.14 0.00 0.71 0.00 0.00 52.55 55.18 1mg3 s ASP 76 Cb -0.14 -2.55 0.01 0.00 1.01 0.00 0.00 42.92 41.25 1mg3 s ASP 76 CO -0.07 -2.49 0.43 -0.83 0.21 0.00 0.00 175.17 172.41 1mg3 s GLY 77 N -2.96 0.15 0.00 0.21 0.00 0.88 -4.84 107.32 100.76 1mg3 s GLY 77 Ca 0.65 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 44.87 1mg3 s GLY 77 CO 0.55 -0.49 0.00 0.61 0.00 0.00 0.00 173.10 173.77 1mg3 n GLY 78 N -0.29 1.56 3.69 0.20 0.00 -1.26 0.27 105.19 109.35 1mg3 n GLY 78 Ca -0.09 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 1mg3 n GLY 78 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1mg3 s PHE 79 N 2.53 2.94 -0.77 1.61 5.36 -0.04 -3.18 117.98 126.42 1mg3 s PHE 79 Ca 0.00 0.88 -0.14 0.00 -0.96 0.00 0.00 56.93 56.70 1mg3 s PHE 79 Cb 0.00 -3.64 0.02 0.00 -0.34 0.00 0.00 43.02 39.06 1mg3 s PHE 79 CO 0.00 -2.32 0.27 1.28 -1.46 0.00 0.00 175.22 173.00 1mg3 n LEU 80 N 5.16 -0.21 -4.78 6.12 4.32 -1.26 -4.07 117.00 122.29 1mg3 n LEU 80 Ca 0.13 -0.76 -0.33 0.00 -0.02 0.00 0.00 56.01 55.03 1mg3 n LEU 80 Cb 0.44 -0.92 0.05 0.00 -1.62 0.00 0.00 43.42 41.36 1mg3 n LEU 80 CO 0.58 0.42 0.74 -2.16 -1.22 0.00 0.00 177.39 175.75 1mg3 s PRO 81 N -6.18 2.83 -0.38 3.23 0.04 -1.26 -4.82 135.00 128.46 1mg3 s PRO 81 Ca 0.20 1.35 -0.10 0.00 0.04 0.00 0.00 61.00 62.49 1mg3 s PRO 81 Cb -0.11 -1.96 0.05 0.00 0.04 0.00 0.00 34.50 32.52 1mg3 s PRO 81 CO 0.57 -1.22 0.21 -0.80 0.04 0.00 0.00 177.00 175.80 1mg3 s ASN 82 N -2.68 5.63 0.20 6.66 0.01 0.12 -4.91 114.94 119.97 1mg3 s ASN 82 Ca 0.66 -1.21 -0.19 0.00 -0.71 0.00 0.00 52.86 51.41 1mg3 s ASN 82 Cb -0.20 -1.98 -0.08 0.00 0.41 0.00 0.00 41.25 39.40 1mg3 s ASN 82 CO 0.42 -0.43 0.70 -2.16 -1.51 0.00 0.00 177.10 174.12 1mg3 s PRO 83 N 1.48 4.24 0.07 -0.60 0.04 -1.26 -1.45 135.00 137.52 1mg3 s PRO 83 Ca 0.02 0.84 0.01 0.00 0.04 0.00 0.00 61.00 61.91 1mg3 s PRO 83 Cb -0.21 -2.93 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 1mg3 s PRO 83 CO 0.04 0.43 -0.06 0.14 0.04 0.00 0.00 177.00 177.60 1mg3 s VAL 84 N -1.47 0.50 -0.07 -0.36 -7.23 -0.14 -4.95 120.40 106.69 1mg3 s VAL 84 Ca 0.41 -1.68 -0.04 0.00 -1.81 0.00 0.00 61.98 58.87 1mg3 s VAL 84 Cb -0.17 -1.35 0.04 0.00 0.56 0.00 0.00 36.38 35.46 1mg3 s VAL 84 CO 0.21 -0.79 0.17 -0.69 -0.31 0.00 0.00 175.10 173.69 1mg3 s VAL 85 N -3.15 -0.04 0.23 1.32 1.01 -1.26 -2.41 120.40 116.10 1mg3 s VAL 85 Ca 0.05 0.15 -0.30 0.00 0.00 0.00 0.00 61.98 61.88 1mg3 s VAL 85 Cb 0.02 -0.27 -0.09 0.00 0.00 0.00 0.00 36.38 36.04 1mg3 s VAL 85 CO -0.05 0.06 1.25 0.00 0.00 0.00 0.00 175.10 176.36 1mg3 s ALA 86 N 1.05 3.48 0.46 5.51 0.00 -1.00 -4.89 121.76 126.37 1mg3 s ALA 86 Ca -0.08 1.06 0.40 0.00 0.00 0.00 0.00 51.96 53.34 1mg3 s ALA 86 Cb -0.10 -3.44 2.01 0.00 0.00 0.00 0.00 23.12 21.59 1mg3 s ALA 86 CO -0.06 -0.45 2.23 -0.44 0.00 0.00 0.00 175.76 177.04 1mg3 h ASP 87 N 4.73 0.00 0.15 0.00 3.32 -1.91 -1.35 116.42 121.37 1mg3 h ASP 87 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1mg3 h ASP 87 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1mg3 h ASP 87 CO 0.73 0.01 -0.13 -0.90 -1.72 0.00 0.00 179.24 177.23 1mg3 n ASP 88 N -3.13 1.08 0.00 6.45 5.68 -1.26 -1.77 116.55 123.60 1mg3 n ASP 88 Ca -0.02 -1.08 0.00 0.00 -0.50 0.00 0.00 54.79 53.20 1mg3 n ASP 88 Cb 0.16 0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 1mg3 n ASP 88 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mg3 n GLY 89 N 1.26 0.37 0.13 6.12 0.00 -0.51 -4.86 105.19 107.70 1mg3 n GLY 89 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1mg3 n GLY 89 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1mg3 n SER 90 N -0.31 0.71 -3.62 1.61 3.41 -1.26 -4.74 113.62 109.42 1mg3 n SER 90 Ca 0.00 0.66 0.02 0.00 -0.26 0.00 0.00 58.87 59.29 1mg3 n SER 90 Cb 0.15 -0.82 -0.00 0.00 -0.26 0.00 0.00 64.21 63.28 1mg3 n SER 90 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1mg3 s PHE 91 N -3.30 -0.04 0.03 7.33 -0.12 -1.26 -4.50 117.98 116.11 1mg3 s PHE 91 Ca 0.05 -0.06 -0.03 0.00 -0.05 0.00 0.00 56.93 56.84 1mg3 s PHE 91 Cb 0.10 0.55 -0.02 0.00 -0.63 0.00 0.00 43.02 43.01 1mg3 s PHE 91 CO 0.42 -0.27 0.04 0.96 -0.05 0.00 0.00 175.22 176.32 1mg3 s ILE 92 N -2.42 0.14 0.31 -4.49 -4.36 -1.07 -2.38 121.20 106.93 1mg3 s ILE 92 Ca 0.14 -1.15 -0.17 0.00 -0.26 0.00 0.00 60.65 59.21 1mg3 s ILE 92 Cb 0.05 -0.80 0.03 0.00 1.25 0.00 0.00 42.46 42.98 1mg3 s ILE 92 CO -0.04 -0.64 0.69 0.00 0.24 0.00 0.00 174.94 175.20 1mg3 s ALA 93 N -2.45 -0.82 0.18 2.27 0.00 -1.01 0.12 121.76 120.05 1mg3 s ALA 93 Ca -0.06 -0.60 -0.20 0.00 0.00 0.00 0.00 51.96 51.10 1mg3 s ALA 93 Cb -0.02 0.85 0.04 0.00 0.00 0.00 0.00 23.12 23.99 1mg3 s ALA 93 CO -0.04 -0.98 0.56 -3.38 0.00 0.00 0.00 175.76 171.92 1mg3 s HIS 94 N -3.40 -0.30 -0.24 0.00 -3.43 -0.55 -0.96 115.29 106.41 1mg3 s HIS 94 Ca 0.15 -0.00 -0.05 0.00 -0.80 0.00 0.00 55.06 54.36 1mg3 s HIS 94 Cb -0.05 0.48 -0.01 0.00 -1.43 0.00 0.00 32.58 31.58 1mg3 s HIS 94 CO 0.09 -0.90 -0.01 0.00 -2.00 0.00 0.00 174.74 171.92 1mg3 s ALA 95 N -3.82 2.90 0.34 -1.38 0.00 -0.53 -0.99 121.76 118.29 1mg3 s ALA 95 Ca 0.05 -1.22 0.05 0.00 0.00 0.00 0.00 51.96 50.84 1mg3 s ALA 95 Cb -0.01 -1.83 -0.07 0.00 0.00 0.00 0.00 23.12 21.21 1mg3 s ALA 95 CO -0.07 -0.53 0.04 0.45 0.00 0.00 0.00 175.76 175.65 1mg3 s SER 96 N 1.50 2.81 -0.00 0.00 0.15 0.76 -0.70 113.70 118.20 1mg3 s SER 96 Ca 0.05 -1.36 -0.00 0.00 0.70 0.00 0.00 55.95 55.34 1mg3 s SER 96 Cb -0.15 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 63.99 1mg3 s SER 96 CO -0.01 -0.55 0.01 -0.89 1.20 0.00 0.00 173.24 173.00 1mg3 s THR 97 N -3.12 -0.00 0.18 6.45 2.01 -1.26 -0.86 115.64 119.04 1mg3 s THR 97 Ca 0.36 0.01 -0.02 0.00 0.31 0.00 0.00 61.69 62.35 1mg3 s THR 97 Cb 0.09 -0.02 -0.04 0.00 0.01 0.00 0.00 72.50 72.54 1mg3 s THR 97 CO 0.16 0.00 0.12 0.68 -0.69 0.00 0.00 174.62 174.89 1mg3 s VAL 98 N 0.05 0.04 0.03 3.82 -7.23 -0.25 -0.86 120.40 116.00 1mg3 s VAL 98 Ca -0.00 -1.93 0.02 0.00 -1.81 0.00 0.00 61.98 58.25 1mg3 s VAL 98 Cb -0.01 -2.32 -0.02 0.00 0.56 0.00 0.00 36.38 34.60 1mg3 s VAL 98 CO -0.00 -0.17 -0.07 -0.36 -0.31 0.00 0.00 175.10 174.19 1mg3 s PHE 99 N -4.11 0.64 0.29 2.82 0.08 -1.26 -0.37 117.98 116.07 1mg3 s PHE 99 Ca 0.33 -0.43 0.03 0.00 0.12 0.00 0.00 56.93 56.97 1mg3 s PHE 99 Cb 0.07 -0.39 0.62 0.00 -0.57 0.00 0.00 43.02 42.75 1mg3 s PHE 99 CO 0.08 -0.07 1.80 0.66 -0.10 0.00 0.00 175.22 177.59 1mg3 h SER 100 N 4.74 0.82 -2.50 1.36 4.64 -1.43 -3.27 113.55 117.92 1mg3 h SER 100 Ca -0.35 0.07 -0.60 0.00 -0.47 0.00 0.00 61.79 60.45 1mg3 h SER 100 Cb 1.20 -0.08 -0.41 0.00 -0.31 0.00 0.00 62.40 62.79 1mg3 h SER 100 CO 0.42 0.38 -0.69 0.54 -0.87 0.00 0.00 176.83 176.61 1mg3 n ARG 101 N -4.71 1.80 0.00 4.77 5.12 0.38 -5.02 116.66 119.01 1mg3 n ARG 101 Ca 0.20 -4.26 0.00 0.00 -1.93 0.00 0.00 57.85 51.86 1mg3 n ARG 101 Cb 0.45 -2.07 0.00 0.00 -1.16 0.00 0.00 32.46 29.67 1mg3 n ARG 101 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 1mg3 n ILE 102 N 1.52 0.00 -1.63 0.55 -0.00 -1.23 -1.88 119.36 116.69 1mg3 n ILE 102 Ca 0.25 0.00 0.06 0.00 -0.00 0.00 0.00 62.75 63.06 1mg3 n ILE 102 Cb 0.41 0.00 0.18 0.00 -0.00 0.00 0.00 39.64 40.23 1mg3 n ILE 102 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1mg3 n ALA 103 N 3.33 3.35 -3.27 -1.39 0.00 -1.26 -4.27 120.51 116.99 1mg3 n ALA 103 Ca 0.00 -3.10 -0.12 0.00 0.00 0.00 0.00 53.44 50.22 1mg3 n ALA 103 Cb 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 19.45 19.02 1mg3 n ALA 103 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1mg3 s ARG 104 N -2.83 1.15 0.00 0.00 3.52 -0.79 -5.09 118.95 114.92 1mg3 s ARG 104 Ca 0.36 -0.46 0.00 0.00 -0.13 0.00 0.00 55.73 55.51 1mg3 s ARG 104 Cb 0.36 0.52 0.00 0.00 -1.56 0.00 0.00 34.95 34.27 1mg3 s ARG 104 CO -0.07 -0.46 0.00 0.41 -0.81 0.00 0.00 175.30 174.37 1mg3 n GLY 105 N -0.09 -2.00 3.66 8.12 0.00 -1.26 -0.47 105.19 113.15 1mg3 n GLY 105 Ca -0.17 -2.09 -0.49 0.00 0.00 0.00 0.00 46.02 43.27 1mg3 n GLY 105 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1mg3 n GLU 106 N -0.01 1.89 -3.45 1.61 2.13 -1.26 -4.58 120.64 116.98 1mg3 n GLU 106 Ca 0.00 0.69 -0.36 0.00 0.66 0.00 0.00 57.16 58.15 1mg3 n GLU 106 Cb 0.00 -2.45 -0.06 0.00 0.27 0.00 0.00 31.44 29.20 1mg3 n GLU 106 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1mg3 s ARG 107 N 2.03 3.92 -0.13 5.31 3.52 -1.26 -1.78 118.95 130.57 1mg3 s ARG 107 Ca 0.86 0.40 -0.02 0.00 -0.13 0.00 0.00 55.73 56.84 1mg3 s ARG 107 Cb -0.77 -3.04 0.04 0.00 -1.56 0.00 0.00 34.95 29.63 1mg3 s ARG 107 CO 0.46 0.56 0.03 0.99 -0.81 0.00 0.00 175.30 176.53 1mg3 s THR 108 N -1.33 0.34 -0.01 4.11 2.01 0.50 -4.79 115.64 116.47 1mg3 s THR 108 Ca 0.33 -0.15 -0.10 0.00 0.31 0.00 0.00 61.69 62.07 1mg3 s THR 108 Cb -0.15 -0.70 -0.05 0.00 0.01 0.00 0.00 72.50 71.61 1mg3 s THR 108 CO 0.18 0.01 0.32 -1.81 -0.69 0.00 0.00 174.62 172.62 1mg3 s ASP 109 N 1.97 6.62 0.29 3.53 1.11 -1.26 -1.09 116.67 127.83 1mg3 s ASP 109 Ca 0.02 0.74 -0.21 0.00 0.18 0.00 0.00 52.55 53.29 1mg3 s ASP 109 Cb -0.15 -2.16 0.02 0.00 1.07 0.00 0.00 42.92 41.70 1mg3 s ASP 109 CO -0.07 0.30 0.72 -0.72 1.18 0.00 0.00 175.17 176.58 1mg3 s TYR 110 N -1.18 -0.17 0.00 4.23 1.13 -0.04 -1.31 117.35 120.02 1mg3 s TYR 110 Ca 0.24 -0.30 0.06 0.00 -1.41 0.00 0.00 57.07 55.67 1mg3 s TYR 110 Cb -0.14 0.71 -0.02 0.00 -1.10 0.00 0.00 41.96 41.41 1mg3 s TYR 110 CO 0.13 -1.26 -0.19 0.08 -2.51 0.00 0.00 175.55 171.80 1mg3 s VAL 111 N -3.84 1.53 -0.05 -3.49 1.01 0.11 -0.17 120.40 115.51 1mg3 s VAL 111 Ca 0.11 -0.93 0.02 0.00 0.00 0.00 0.00 61.98 61.18 1mg3 s VAL 111 Cb -0.06 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 35.03 1mg3 s VAL 111 CO 0.07 0.34 -0.10 -1.61 0.00 0.00 0.00 175.10 173.80 1mg3 s GLU 112 N -0.69 1.34 -0.12 2.72 2.02 -0.16 0.19 118.70 124.00 1mg3 s GLU 112 Ca 0.07 -0.33 -0.04 0.00 0.02 0.00 0.00 54.97 54.68 1mg3 s GLU 112 Cb -0.08 -1.17 -0.04 0.00 0.10 0.00 0.00 34.13 32.94 1mg3 s GLU 112 CO 0.00 0.04 0.03 0.08 0.02 0.00 0.00 175.26 175.43 1mg3 s VAL 113 N 0.56 4.57 0.15 2.63 1.01 -0.61 -1.49 120.40 127.23 1mg3 s VAL 113 Ca -0.11 -0.13 0.11 0.00 0.00 0.00 0.00 61.98 61.85 1mg3 s VAL 113 Cb -0.14 -2.98 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 1mg3 s VAL 113 CO 0.02 0.56 -0.25 -0.36 0.00 0.00 0.00 175.10 175.07 1mg3 s PHE 114 N -0.43 2.33 -0.14 5.22 0.08 0.31 0.47 117.98 125.82 1mg3 s PHE 114 Ca 0.09 -0.36 -0.28 0.00 0.12 0.00 0.00 56.93 56.50 1mg3 s PHE 114 Cb -0.12 -1.22 -0.01 0.00 -0.57 0.00 0.00 43.02 41.10 1mg3 s PHE 114 CO 0.02 0.40 0.95 0.34 -0.10 0.00 0.00 175.22 176.83 1mg3 s ASP 115 N -2.29 7.12 0.21 1.36 -1.08 -0.49 -2.59 116.67 118.91 1mg3 s ASP 115 Ca 0.17 1.38 0.13 0.00 -0.52 0.00 0.00 52.55 53.70 1mg3 s ASP 115 Cb -0.09 -2.52 0.68 0.00 -1.46 0.00 0.00 42.92 39.53 1mg3 s ASP 115 CO 0.08 -0.46 1.34 -0.81 0.52 0.00 0.00 175.17 175.85 1mg3 n PRO 116 N 5.25 0.08 -0.04 4.34 -0.04 -1.26 -0.08 135.00 143.24 1mg3 n PRO 116 Ca 0.08 0.56 -0.08 0.00 -0.04 0.00 0.00 63.50 64.02 1mg3 n PRO 116 Cb 0.48 -1.85 -0.04 0.00 -0.04 0.00 0.00 33.50 32.06 1mg3 n PRO 116 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1mg3 n VAL 117 N -1.94 0.51 0.46 0.52 0.31 -1.26 -4.67 118.33 112.26 1mg3 n VAL 117 Ca -0.01 -0.17 0.12 0.00 -0.01 0.00 0.00 64.34 64.27 1mg3 n VAL 117 Cb 0.10 -1.11 0.14 0.00 -0.91 0.00 0.00 33.84 32.05 1mg3 n VAL 117 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1mg3 h THR 118 N -0.13 0.00 -0.10 2.52 1.35 -1.89 0.29 112.91 114.97 1mg3 h THR 118 Ca -0.21 -0.61 -0.04 0.00 -0.55 0.00 0.00 66.41 65.00 1mg3 h THR 118 Cb 1.27 1.19 -0.02 0.00 -1.73 0.00 0.00 68.15 68.86 1mg3 h THR 118 CO -0.07 0.00 -0.04 0.18 -0.25 0.00 0.00 175.52 175.34 1mg3 n LEU 119 N -2.26 0.64 -4.75 3.87 4.32 0.88 -4.94 117.00 114.76 1mg3 n LEU 119 Ca 0.03 0.05 -0.41 0.00 -0.02 0.00 0.00 56.01 55.66 1mg3 n LEU 119 Cb 0.46 -2.29 -0.04 0.00 -1.62 0.00 0.00 43.42 39.93 1mg3 n LEU 119 CO 0.37 -0.89 0.81 -0.76 -1.22 0.00 0.00 177.39 175.71 1mg3 s LEU 120 N -0.46 4.50 0.20 2.23 1.02 -1.26 -4.65 118.68 120.27 1mg3 s LEU 120 Ca 0.00 2.19 -0.30 0.00 0.02 0.00 0.00 54.13 56.05 1mg3 s LEU 120 Cb 0.00 -3.61 -0.09 0.00 0.02 0.00 0.00 46.19 42.51 1mg3 s LEU 120 CO 0.00 -0.23 1.26 -2.16 0.02 0.00 0.00 176.35 175.25 1mg3 s PRO 121 N -0.76 4.43 0.00 1.29 0.04 -1.26 -1.40 135.00 137.34 1mg3 s PRO 121 Ca 0.48 1.99 0.05 0.00 0.04 0.00 0.00 61.00 63.56 1mg3 s PRO 121 Cb -0.31 -3.20 0.09 0.00 0.04 0.00 0.00 34.50 31.11 1mg3 s PRO 121 CO 0.38 -0.18 0.87 0.25 0.04 0.00 0.00 177.00 178.36 1mg3 n THR 122 N 2.45 0.47 -3.64 1.26 -2.24 0.17 -4.91 114.28 107.84 1mg3 n THR 122 Ca 0.05 -0.74 -0.05 0.00 -2.27 0.00 0.00 64.05 61.04 1mg3 n THR 122 Cb 0.43 0.82 -0.07 0.00 -2.10 0.00 0.00 70.33 69.41 1mg3 n THR 122 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mg3 s ALA 123 N -0.69 -2.14 -0.30 6.98 0.00 -1.12 -4.89 121.76 119.60 1mg3 s ALA 123 Ca 0.08 2.03 -0.02 0.00 0.00 0.00 0.00 51.96 54.05 1mg3 s ALA 123 Cb 0.05 -1.59 0.10 0.00 0.00 0.00 0.00 23.12 21.67 1mg3 s ALA 123 CO 0.07 -0.28 0.10 0.34 0.00 0.00 0.00 175.76 175.99 1mg3 s ASP 124 N 0.77 3.89 -0.29 0.00 -1.08 -1.26 -1.58 116.67 117.12 1mg3 s ASP 124 Ca -0.03 -1.54 -0.08 0.00 -0.52 0.00 0.00 52.55 50.39 1mg3 s ASP 124 Cb -0.04 -0.73 -0.01 0.00 -1.46 0.00 0.00 42.92 40.68 1mg3 s ASP 124 CO -0.11 -0.42 0.11 -0.63 0.52 0.00 0.00 175.17 174.64 1mg3 s ILE 125 N 1.74 4.32 0.19 4.11 1.01 0.13 -4.93 121.20 127.77 1mg3 s ILE 125 Ca 0.09 -0.47 -0.30 0.00 0.00 0.00 0.00 60.65 59.97 1mg3 s ILE 125 Cb -0.17 -3.18 -0.08 0.00 0.01 0.00 0.00 42.46 39.05 1mg3 s ILE 125 CO -0.28 0.12 0.99 -0.70 0.00 0.00 0.00 174.94 175.07 1mg3 s GLU 126 N 1.57 4.74 -0.37 2.79 2.12 -1.26 0.09 118.70 128.38 1mg3 s GLU 126 Ca 0.04 1.54 -0.12 0.00 0.36 0.00 0.00 54.97 56.79 1mg3 s GLU 126 Cb -0.17 -3.30 0.01 0.00 0.26 0.00 0.00 34.13 30.93 1mg3 s GLU 126 CO 0.04 0.31 0.24 -0.51 -0.54 0.00 0.00 175.26 174.80 1mg3 s LEU 127 N -0.67 4.73 0.20 2.70 1.43 -0.43 -4.60 118.68 122.05 1mg3 s LEU 127 Ca 0.45 -0.80 -0.32 0.00 -1.03 0.00 0.00 54.13 52.43 1mg3 s LEU 127 Cb -0.26 -2.09 -0.15 0.00 0.03 0.00 0.00 46.19 43.72 1mg3 s LEU 127 CO 0.33 -0.36 1.13 -2.65 0.23 0.00 0.00 176.35 175.03 1mg3 n PRO 128 N 5.07 1.21 -3.73 1.29 -0.02 -1.26 -3.78 135.00 133.79 1mg3 n PRO 128 Ca -0.12 0.43 -0.31 0.00 -2.02 0.00 0.00 63.50 61.49 1mg3 n PRO 128 Cb 0.47 -1.90 0.03 0.00 -0.02 0.00 0.00 33.50 32.08 1mg3 n PRO 128 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1mg3 n ASP 129 N 1.87 -5.24 -2.50 2.55 8.00 -1.26 -3.75 116.55 116.21 1mg3 n ASP 129 Ca 0.14 -0.98 -0.04 0.00 0.71 0.00 0.00 54.79 54.62 1mg3 n ASP 129 Cb 0.26 -2.89 0.00 0.00 -0.02 0.00 0.00 41.12 38.48 1mg3 n ASP 129 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mg3 n ALA 130 N -3.85 -1.26 0.37 2.24 0.00 -1.25 -4.82 120.51 111.94 1mg3 n ALA 130 Ca -0.13 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.40 1mg3 n ALA 130 Cb 0.59 -0.13 0.19 0.00 0.00 0.00 0.00 19.45 20.11 1mg3 n ALA 130 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1mg3 h PRO 131 N 0.74 0.00 -6.95 0.00 0.13 -1.78 -3.48 132.00 120.65 1mg3 h PRO 131 Ca -0.09 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.48 1mg3 h PRO 131 Cb 0.21 0.00 0.13 0.00 0.13 0.00 0.00 31.00 31.47 1mg3 h PRO 131 CO 0.05 0.00 0.57 0.54 -0.23 0.00 0.00 178.00 178.93 1mg3 n ARG 132 N -2.60 1.86 -3.14 0.86 1.74 -1.26 -4.49 116.66 109.63 1mg3 n ARG 132 Ca 0.03 0.67 -0.43 0.00 -0.77 0.00 0.00 57.85 57.35 1mg3 n ARG 132 Cb 0.49 -2.51 -0.07 0.00 -1.02 0.00 0.00 32.46 29.35 1mg3 n ARG 132 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1mg3 s PHE 133 N -1.25 3.06 -0.51 -1.55 5.36 -1.12 -4.89 117.98 117.08 1mg3 s PHE 133 Ca 0.66 -0.25 -0.26 0.00 -0.96 0.00 0.00 56.93 56.12 1mg3 s PHE 133 Cb -0.45 -3.38 0.03 0.00 -0.34 0.00 0.00 43.02 38.88 1mg3 s PHE 133 CO 0.54 -0.92 1.00 -0.51 -1.46 0.00 0.00 175.22 173.86 1mg3 s LEU 134 N 2.72 3.90 0.23 6.12 1.43 -1.26 -4.97 118.68 126.85 1mg3 s LEU 134 Ca 0.19 0.01 -0.16 0.00 -1.03 0.00 0.00 54.13 53.14 1mg3 s LEU 134 Cb -0.16 -3.12 0.01 0.00 0.03 0.00 0.00 46.19 42.96 1mg3 s LEU 134 CO 0.16 -1.20 0.53 0.54 0.23 0.00 0.00 176.35 176.61 1mg3 s VAL 135 N 4.10 0.01 0.47 -1.59 0.11 -1.26 -5.13 120.40 117.12 1mg3 s VAL 135 Ca 0.37 -1.07 -0.22 0.00 -2.93 0.00 0.00 61.98 58.14 1mg3 s VAL 135 Cb -0.10 -1.88 -0.10 0.00 -1.53 0.00 0.00 36.38 32.77 1mg3 s VAL 135 CO 0.25 -0.06 0.81 0.61 -3.33 0.00 0.00 175.10 173.37 1mg3 n GLY 136 N -0.37 -0.76 3.65 6.54 0.00 -1.26 -4.76 105.19 108.23 1mg3 n GLY 136 Ca -0.06 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1mg3 n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mg3 s THR 137 N -1.44 3.28 -0.24 2.61 2.01 -1.26 -4.98 115.64 115.62 1mg3 s THR 137 Ca 0.66 0.33 0.02 0.00 0.31 0.00 0.00 61.69 63.01 1mg3 s THR 137 Cb -0.53 -3.24 0.05 0.00 0.01 0.00 0.00 72.50 68.79 1mg3 s THR 137 CO 0.55 -0.06 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.98 1mg3 s TYR 138 N 5.01 3.15 0.37 4.92 2.02 -1.26 -4.98 117.35 126.58 1mg3 s TYR 138 Ca 0.83 -2.12 0.20 0.00 -0.37 0.00 0.00 57.07 55.61 1mg3 s TYR 138 Cb -0.36 -1.94 1.20 0.00 -0.40 0.00 0.00 41.96 40.47 1mg3 s TYR 138 CO 0.35 -0.85 1.66 -1.35 -1.57 0.00 0.00 175.55 173.78 1mg3 h PRO 139 N 7.83 0.23 -1.06 -1.71 0.11 -1.92 -1.84 132.00 133.64 1mg3 h PRO 139 Ca -0.26 -0.01 -0.40 0.00 0.11 0.00 0.00 66.00 65.44 1mg3 h PRO 139 Cb 1.07 -0.05 -0.22 0.00 0.11 0.00 0.00 31.00 31.91 1mg3 h PRO 139 CO 0.51 0.15 0.51 0.91 -0.21 0.00 0.00 178.00 179.87 1mg3 n TRP 140 N -4.94 2.24 0.12 0.65 7.02 -1.26 -3.65 117.44 117.62 1mg3 n TRP 140 Ca 0.33 -1.68 0.07 0.00 -1.02 0.00 0.00 57.50 55.20 1mg3 n TRP 140 Cb 1.12 -0.84 0.14 0.00 -2.42 0.00 0.00 31.31 29.30 1mg3 n TRP 140 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 1mg3 n MET 141 N -0.59 2.05 -3.65 -0.99 2.81 -0.69 -0.24 117.12 115.82 1mg3 n MET 141 Ca 0.44 -1.84 -0.03 0.00 -1.81 0.00 0.00 57.70 54.45 1mg3 n MET 141 Cb 1.20 -1.31 -0.05 0.00 -0.71 0.00 0.00 33.22 32.34 1mg3 n MET 141 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1mg3 s THR 142 N -1.07 -0.73 0.05 2.03 2.01 -1.24 -1.36 115.64 115.33 1mg3 s THR 142 Ca 0.24 0.02 -0.02 0.00 0.31 0.00 0.00 61.69 62.25 1mg3 s THR 142 Cb 0.14 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.67 1mg3 s THR 142 CO 0.19 0.01 -0.01 -0.44 -0.69 0.00 0.00 174.62 173.68 1mg3 s SER 143 N 2.56 0.41 -0.19 3.53 0.01 0.22 -4.92 113.70 115.33 1mg3 s SER 143 Ca -0.06 -0.88 -0.08 0.00 1.31 0.00 0.00 55.95 56.23 1mg3 s SER 143 Cb -0.10 0.20 -0.04 0.00 0.21 0.00 0.00 66.02 66.28 1mg3 s SER 143 CO -0.18 -0.56 0.08 -0.22 0.41 0.00 0.00 173.24 172.76 1mg3 s LEU 144 N -2.68 3.86 0.75 2.44 2.96 -1.26 0.03 118.68 124.77 1mg3 s LEU 144 Ca 0.03 0.08 -0.12 0.00 -0.22 0.00 0.00 54.13 53.90 1mg3 s LEU 144 Cb 0.05 -1.98 0.05 0.00 0.50 0.00 0.00 46.19 44.80 1mg3 s LEU 144 CO -0.09 0.16 1.12 0.42 -1.32 0.00 0.00 176.35 176.64 1mg3 s THR 145 N 0.48 3.03 0.41 3.68 -4.23 -0.86 -4.74 115.64 113.41 1mg3 s THR 145 Ca 0.04 0.40 0.22 0.00 -1.18 0.00 0.00 61.69 61.17 1mg3 s THR 145 Cb -0.12 -2.84 0.22 0.00 1.34 0.00 0.00 72.50 71.09 1mg3 s THR 145 CO 0.00 -0.38 1.65 -0.65 -0.54 0.00 0.00 174.62 174.71 1mg3 h PRO 146 N -0.76 0.00 -0.01 3.99 0.11 -1.87 0.23 132.00 133.70 1mg3 h PRO 146 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1mg3 h PRO 146 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1mg3 h PRO 146 CO 0.51 0.00 -0.68 -0.40 -0.21 0.00 0.00 178.00 177.22 1mg3 n ASP 147 N -2.55 1.30 0.00 -2.05 5.68 -1.26 -4.96 116.55 112.71 1mg3 n ASP 147 Ca -0.01 -1.08 0.00 0.00 -0.50 0.00 0.00 54.79 53.20 1mg3 n ASP 147 Cb 0.37 0.63 0.00 0.00 -1.14 0.00 0.00 41.12 40.99 1mg3 n ASP 147 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mg3 n GLY 148 N 1.46 0.25 0.13 6.12 0.00 0.07 -4.85 105.19 108.36 1mg3 n GLY 148 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.21 1mg3 n GLY 148 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mg3 h LYS 149 N 0.54 0.00 -5.52 1.61 1.57 -1.93 -3.45 116.57 109.38 1mg3 h LYS 149 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 1mg3 h LYS 149 Cb 0.49 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 32.55 1mg3 h LYS 149 CO 0.00 0.00 -0.81 0.99 -0.57 0.00 0.00 179.45 179.06 1mg3 s THR 150 N -3.31 1.26 -0.13 -0.16 2.01 -1.26 -0.66 115.64 113.39 1mg3 s THR 150 Ca 0.02 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.06 1mg3 s THR 150 Cb 0.09 -1.11 0.01 0.00 0.01 0.00 0.00 72.50 71.50 1mg3 s THR 150 CO 0.76 0.11 -0.22 -0.22 -0.69 0.00 0.00 174.62 174.36 1mg3 s LEU 151 N -1.00 2.10 -0.12 4.42 0.20 0.23 -2.03 118.68 122.48 1mg3 s LEU 151 Ca 0.04 -0.59 -0.01 0.00 0.69 0.00 0.00 54.13 54.26 1mg3 s LEU 151 Cb -0.08 -1.43 -0.02 0.00 -0.43 0.00 0.00 46.19 44.23 1mg3 s LEU 151 CO 0.01 0.09 -0.09 -0.76 -0.29 0.00 0.00 176.35 175.31 1mg3 s LEU 152 N 0.73 2.97 0.14 -0.68 1.43 0.10 -0.48 118.68 122.88 1mg3 s LEU 152 Ca -0.09 -0.20 0.05 0.00 -1.03 0.00 0.00 54.13 52.87 1mg3 s LEU 152 Cb -0.16 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 1mg3 s LEU 152 CO 0.00 0.22 -0.12 0.72 0.23 0.00 0.00 176.35 177.40 1mg3 s PHE 153 N 0.03 1.35 0.03 0.29 -0.12 -0.84 0.70 117.98 119.42 1mg3 s PHE 153 Ca -0.02 -0.63 -0.06 0.00 -0.05 0.00 0.00 56.93 56.16 1mg3 s PHE 153 Cb -0.14 -0.69 -0.05 0.00 -0.63 0.00 0.00 43.02 41.51 1mg3 s PHE 153 CO 0.04 0.13 0.29 -0.47 -0.05 0.00 0.00 175.22 175.16 1mg3 s TYR 154 N -2.63 3.56 -0.10 3.49 5.04 -0.46 0.41 117.35 126.66 1mg3 s TYR 154 Ca 0.12 0.57 0.02 0.00 -2.44 0.00 0.00 57.07 55.34 1mg3 s TYR 154 Cb -0.02 -2.00 0.02 0.00 0.35 0.00 0.00 41.96 40.31 1mg3 s TYR 154 CO 0.02 0.58 -0.13 -1.14 -1.34 0.00 0.00 175.55 173.54 1mg3 s GLN 155 N -1.92 1.96 -0.20 4.97 0.74 0.10 -2.79 119.66 122.51 1mg3 s GLN 155 Ca 0.30 -0.47 -0.11 0.00 0.05 0.00 0.00 55.36 55.13 1mg3 s GLN 155 Cb -0.13 -1.70 -0.19 0.00 1.10 0.00 0.00 33.01 32.08 1mg3 s GLN 155 CO 0.18 -0.07 0.07 0.34 -0.55 0.00 0.00 175.29 175.26 1mg3 n PHE 156 N 4.21 0.71 -4.42 1.67 7.35 -1.26 -1.85 117.46 123.86 1mg3 n PHE 156 Ca -0.19 0.22 -0.30 0.00 -0.76 0.00 0.00 57.45 56.42 1mg3 n PHE 156 Cb 0.51 -1.08 -0.12 0.00 0.35 0.00 0.00 39.48 39.14 1mg3 n PHE 156 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1mg3 s SER 157 N -6.99 3.89 0.42 -2.13 0.15 -1.26 -3.61 113.70 104.18 1mg3 s SER 157 Ca -0.30 -0.50 0.23 0.00 0.70 0.00 0.00 55.95 56.08 1mg3 s SER 157 Cb 0.08 -0.59 0.50 0.00 -1.71 0.00 0.00 66.02 64.30 1mg3 s SER 157 CO 0.63 0.21 1.65 1.55 1.20 0.00 0.00 173.24 178.48 1mg3 h PRO 158 N 4.01 0.00 -3.65 5.44 0.13 -1.98 -3.48 132.00 132.46 1mg3 h PRO 158 Ca -0.49 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.47 1mg3 h PRO 158 Cb 1.16 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.07 1mg3 h PRO 158 CO 0.47 0.14 -0.58 0.00 -0.23 0.00 0.00 178.00 177.80 1mg3 s ALA 159 N -3.27 -0.17 0.20 -0.56 0.00 -1.24 -5.13 121.76 111.60 1mg3 s ALA 159 Ca 0.05 -0.18 -0.32 0.00 0.00 0.00 0.00 51.96 51.51 1mg3 s ALA 159 Cb 0.07 0.06 -0.14 0.00 0.00 0.00 0.00 23.12 23.10 1mg3 s ALA 159 CO 0.66 -0.16 1.30 -0.35 0.00 0.00 0.00 175.76 177.22 1mg3 n PRO 160 N 1.86 1.64 -3.56 0.00 -0.04 -1.24 -4.60 135.00 129.06 1mg3 n PRO 160 Ca -0.21 0.58 -0.07 0.00 -0.04 0.00 0.00 63.50 63.77 1mg3 n PRO 160 Cb 0.56 -2.18 -0.02 0.00 -0.04 0.00 0.00 33.50 31.83 1mg3 n PRO 160 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mg3 s ALA 161 N -0.08 -1.84 -0.01 0.55 0.00 -0.77 -2.93 121.76 116.68 1mg3 s ALA 161 Ca 0.71 0.92 0.05 0.00 0.00 0.00 0.00 51.96 53.64 1mg3 s ALA 161 Cb -0.74 0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 1mg3 s ALA 161 CO 0.50 -0.75 -0.16 0.14 0.00 0.00 0.00 175.76 175.49 1mg3 s VAL 162 N -3.05 1.28 0.03 0.00 -7.23 -0.68 0.01 120.40 110.76 1mg3 s VAL 162 Ca 0.07 -0.69 -0.10 0.00 -1.81 0.00 0.00 61.98 59.45 1mg3 s VAL 162 Cb -0.01 -1.06 -0.05 0.00 0.56 0.00 0.00 36.38 35.82 1mg3 s VAL 162 CO -0.06 0.36 0.36 -0.83 -0.31 0.00 0.00 175.10 174.61 1mg3 s GLY 163 N -0.38 2.34 -0.26 2.32 0.00 0.16 -0.47 107.32 111.03 1mg3 s GLY 163 Ca 0.06 -0.41 -0.06 0.00 0.00 0.00 0.00 44.72 44.32 1mg3 s GLY 163 CO -0.01 -0.16 0.04 0.14 0.00 0.00 0.00 173.10 173.12 1mg3 s VAL 164 N -1.28 3.88 -0.21 1.40 1.01 0.26 -1.99 120.40 123.46 1mg3 s VAL 164 Ca 0.29 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 1mg3 s VAL 164 Cb -0.14 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.35 1mg3 s VAL 164 CO 0.16 0.23 -0.09 -0.69 0.00 0.00 0.00 175.10 174.71 1mg3 s VAL 165 N 1.52 2.95 -0.71 2.92 1.01 0.36 -0.03 120.40 128.43 1mg3 s VAL 165 Ca 0.04 -0.68 -0.24 0.00 0.00 0.00 0.00 61.98 61.10 1mg3 s VAL 165 Cb -0.16 -2.34 0.06 0.00 0.00 0.00 0.00 36.38 33.94 1mg3 s VAL 165 CO 0.01 0.43 1.08 -0.62 0.00 0.00 0.00 175.10 175.99 1mg3 s ASP 166 N 1.41 6.20 0.23 3.32 2.15 0.15 -0.60 116.67 129.52 1mg3 s ASP 166 Ca 0.05 -0.90 -0.02 0.00 0.43 0.00 0.00 52.55 52.11 1mg3 s ASP 166 Cb -0.14 -2.46 0.24 0.00 -0.30 0.00 0.00 42.92 40.25 1mg3 s ASP 166 CO -0.06 -1.54 1.63 -0.07 -0.17 0.00 0.00 175.17 174.96 1mg3 h LEU 167 N 11.83 0.67 0.81 -1.34 3.38 -1.14 0.19 115.31 129.71 1mg3 h LEU 167 Ca -0.25 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.43 1mg3 h LEU 167 Cb 1.06 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1mg3 h LEU 167 CO 1.21 0.92 -0.42 -0.08 0.09 0.00 0.00 178.44 180.16 1mg3 h GLU 168 N 0.56 -1.09 0.00 1.13 4.81 -1.85 -2.14 114.58 116.00 1mg3 h GLU 168 Ca 0.07 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1mg3 h GLU 168 Cb 0.78 0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1mg3 h GLU 168 CO 0.06 -0.73 0.00 0.41 -0.73 0.00 0.00 179.01 178.03 1mg3 n GLY 169 N -1.57 -0.96 3.85 1.92 0.00 -1.22 -4.91 105.19 102.29 1mg3 n GLY 169 Ca -0.14 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 1mg3 n GLY 169 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mg3 n LYS 170 N -0.65 -0.84 -3.52 1.61 5.02 0.36 -4.98 118.16 115.15 1mg3 n LYS 170 Ca 0.07 0.39 -0.15 0.00 -2.02 0.00 0.00 58.31 56.60 1mg3 n LYS 170 Cb 0.03 -3.17 -0.05 0.00 -0.02 0.00 0.00 35.03 31.83 1mg3 n LYS 170 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1mg3 s ALA 171 N -3.39 -1.55 0.23 7.82 0.00 0.39 -4.90 121.76 120.35 1mg3 s ALA 171 Ca 0.38 0.84 -0.30 0.00 0.00 0.00 0.00 51.96 52.88 1mg3 s ALA 171 Cb -0.18 0.36 -0.09 0.00 0.00 0.00 0.00 23.12 23.22 1mg3 s ALA 171 CO 0.91 -0.52 0.95 0.12 0.00 0.00 0.00 175.76 177.22 1mg3 s PHE 172 N -2.28 3.96 -0.14 0.00 5.36 -1.26 0.29 117.98 123.91 1mg3 s PHE 172 Ca -0.06 1.90 -0.14 0.00 -0.96 0.00 0.00 56.93 57.67 1mg3 s PHE 172 Cb -0.01 -3.00 -0.05 0.00 -0.34 0.00 0.00 43.02 39.63 1mg3 s PHE 172 CO -0.00 0.40 -0.27 1.63 -1.46 0.00 0.00 175.22 175.52 1mg3 n LYS 173 N 1.62 0.40 -3.72 10.12 4.76 0.96 -4.84 118.16 127.47 1mg3 n LYS 173 Ca -0.02 0.16 0.01 0.00 -2.87 0.00 0.00 58.31 55.59 1mg3 n LYS 173 Cb 0.47 -1.21 -0.00 0.00 -1.84 0.00 0.00 35.03 32.45 1mg3 n LYS 173 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1mg3 s ARG 174 N -2.46 0.55 -0.26 1.97 1.70 -1.17 -5.00 118.95 114.27 1mg3 s ARG 174 Ca -0.22 -0.32 -0.08 0.00 -0.47 0.00 0.00 55.73 54.64 1mg3 s ARG 174 Cb 0.03 0.18 -0.03 0.00 -0.57 0.00 0.00 34.95 34.56 1mg3 s ARG 174 CO 0.33 -0.25 0.09 -1.64 -1.08 0.00 0.00 175.30 172.75 1mg3 s MET 175 N -2.44 3.63 -0.10 3.89 -1.94 -1.26 -0.58 119.30 120.51 1mg3 s MET 175 Ca 0.17 -0.50 -0.17 0.00 -1.71 0.00 0.00 55.69 53.48 1mg3 s MET 175 Cb 0.03 -3.39 -0.05 0.00 2.01 0.00 0.00 34.83 33.43 1mg3 s MET 175 CO -0.02 -0.22 0.45 -0.51 -0.01 0.00 0.00 175.02 174.70 1mg3 s LEU 176 N 1.63 4.31 0.32 -0.03 1.02 0.38 -4.93 118.68 121.38 1mg3 s LEU 176 Ca 0.06 0.82 -0.27 0.00 0.02 0.00 0.00 54.13 54.75 1mg3 s LEU 176 Cb -0.15 -2.64 -0.09 0.00 0.02 0.00 0.00 46.19 43.32 1mg3 s LEU 176 CO 0.05 0.07 1.02 -1.81 0.02 0.00 0.00 176.35 175.70 1mg3 s ASP 177 N 0.28 7.21 0.05 2.29 1.01 -1.26 -1.69 116.67 124.56 1mg3 s ASP 177 Ca 0.25 2.04 -0.04 0.00 0.71 0.00 0.00 52.55 55.50 1mg3 s ASP 177 Cb -0.15 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.16 1mg3 s ASP 177 CO 0.10 -0.17 0.07 -0.69 0.21 0.00 0.00 175.17 174.69 1mg3 s VAL 178 N -1.42 0.16 1.32 -1.27 1.01 -1.15 -4.86 120.40 114.20 1mg3 s VAL 178 Ca 0.49 -1.32 -0.21 0.00 0.00 0.00 0.00 61.98 60.94 1mg3 s VAL 178 Cb -0.25 -1.14 0.33 0.00 0.00 0.00 0.00 36.38 35.33 1mg3 s VAL 178 CO 0.31 -0.73 1.02 -2.84 0.00 0.00 0.00 175.10 172.87 1mg3 s PRO 179 N -3.19 -2.15 -1.02 2.72 0.02 -1.26 -4.63 135.00 125.48 1mg3 s PRO 179 Ca 0.00 -0.00 -0.13 0.00 0.02 0.00 0.00 61.00 60.89 1mg3 s PRO 179 Cb 0.02 -1.48 -0.08 0.00 0.02 0.00 0.00 34.50 32.98 1mg3 s PRO 179 CO -0.07 -4.33 2.17 -0.25 -0.33 0.00 0.00 177.00 174.18 1mg3 n ASP 180 N -5.22 4.49 -4.61 2.53 8.00 -1.26 -4.82 116.55 115.66 1mg3 n ASP 180 Ca 0.13 -2.53 -0.24 0.00 0.71 0.00 0.00 54.79 52.86 1mg3 n ASP 180 Cb 0.60 -1.23 -0.08 0.00 -0.02 0.00 0.00 41.12 40.39 1mg3 n ASP 180 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mg3 s TYR 182 N -2.48 0.72 0.08 0.00 1.51 0.51 -4.87 117.35 112.81 1mg3 s TYR 182 Ca 0.34 -0.77 0.00 0.00 -1.01 0.00 0.00 57.07 55.63 1mg3 s TYR 182 Cb -0.02 -0.43 0.00 0.00 -0.11 0.00 0.00 41.96 41.40 1mg3 s TYR 182 CO 0.19 -0.16 0.00 0.72 -1.11 0.00 0.00 175.55 175.19 1mg3 n HIS 183 N 0.62 -0.51 -3.64 2.71 8.25 -1.26 -1.39 115.22 120.00 1mg3 n HIS 183 Ca -0.17 0.28 -0.27 0.00 -0.26 0.00 0.00 57.72 57.30 1mg3 n HIS 183 Cb 0.58 -0.59 -0.17 0.00 1.12 0.00 0.00 29.99 30.93 1mg3 n HIS 183 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1mg3 s ILE 184 N -3.49 0.11 -0.53 1.59 1.01 0.66 -4.45 121.20 116.10 1mg3 s ILE 184 Ca 0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 60.65 60.22 1mg3 s ILE 184 Cb 0.00 -0.79 0.14 0.00 0.01 0.00 0.00 42.46 41.82 1mg3 s ILE 184 CO 0.00 -0.34 0.34 -0.36 0.00 0.00 0.00 174.94 174.58 1mg3 s PHE 185 N 2.04 3.49 0.35 3.97 0.08 -0.76 -4.65 117.98 122.51 1mg3 s PHE 185 Ca 0.02 -2.51 -0.28 0.00 0.12 0.00 0.00 56.93 54.28 1mg3 s PHE 185 Cb -0.16 -3.25 -0.10 0.00 -0.57 0.00 0.00 43.02 38.94 1mg3 s PHE 185 CO -0.13 -0.91 1.30 -2.14 -0.10 0.00 0.00 175.22 173.24 1mg3 s PRO 186 N 0.54 4.25 0.00 0.24 0.02 -1.26 -1.25 135.00 137.54 1mg3 s PRO 186 Ca 0.13 2.19 0.00 0.00 0.02 0.00 0.00 61.00 63.34 1mg3 s PRO 186 Cb -0.22 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 31.32 1mg3 s PRO 186 CO -0.04 -0.27 0.00 0.25 -0.33 0.00 0.00 177.00 176.62 1mg3 n THR 187 N 0.61 0.00 -3.67 0.99 -2.24 0.42 -4.80 114.28 105.59 1mg3 n THR 187 Ca 0.01 -0.07 -0.10 0.00 -2.27 0.00 0.00 64.05 61.61 1mg3 n THR 187 Cb 0.42 0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 69.13 1mg3 n THR 187 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mg3 s ALA 188 N -1.55 -0.92 0.31 6.98 0.00 -0.54 -4.87 121.76 121.17 1mg3 s ALA 188 Ca 0.00 -0.11 0.17 0.00 0.00 0.00 0.00 51.96 52.03 1mg3 s ALA 188 Cb 0.00 0.75 0.95 0.00 0.00 0.00 0.00 23.12 24.83 1mg3 s ALA 188 CO 0.00 -0.69 1.47 -1.35 0.00 0.00 0.00 175.76 175.19 1mg3 h PRO 189 N 2.31 0.00 0.00 0.00 0.11 -1.97 -0.99 132.00 131.46 1mg3 h PRO 189 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1mg3 h PRO 189 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1mg3 h PRO 189 CO 0.44 0.00 -0.00 -0.40 -0.21 0.00 0.00 178.00 177.83 1mg3 n ASP 190 N -2.37 0.21 -3.93 -2.05 5.75 -1.26 -4.97 116.55 107.93 1mg3 n ASP 190 Ca -0.01 -1.11 -0.18 0.00 -0.01 0.00 0.00 54.79 53.47 1mg3 n ASP 190 Cb 0.41 -0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.35 1mg3 n ASP 190 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1mg3 s THR 191 N -0.10 0.52 0.02 2.12 2.01 -0.38 -0.37 115.64 119.46 1mg3 s THR 191 Ca 0.00 -0.19 -0.13 0.00 0.31 0.00 0.00 61.69 61.68 1mg3 s THR 191 Cb 0.00 -0.50 0.02 0.00 0.01 0.00 0.00 72.50 72.03 1mg3 s THR 191 CO 0.00 0.19 0.28 0.72 -0.69 0.00 0.00 174.62 175.11 1mg3 s PHE 192 N 0.44 -0.10 0.24 4.92 -0.12 -0.06 -0.44 117.98 122.86 1mg3 s PHE 192 Ca -0.06 0.03 0.07 0.00 -0.05 0.00 0.00 56.93 56.93 1mg3 s PHE 192 Cb -0.09 0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.32 1mg3 s PHE 192 CO -0.00 -0.43 0.18 -0.06 -0.05 0.00 0.00 175.22 174.85 1mg3 s PHE 193 N -2.00 3.09 0.21 3.49 0.40 -0.38 -0.35 117.98 122.44 1mg3 s PHE 193 Ca -0.09 -0.11 -0.00 0.00 -0.60 0.00 0.00 56.93 56.13 1mg3 s PHE 193 Cb -0.03 -1.40 -0.04 0.00 0.51 0.00 0.00 43.02 42.05 1mg3 s PHE 193 CO -0.00 0.53 0.10 -1.64 0.70 0.00 0.00 175.22 174.91 1mg3 s MET 194 N -3.75 1.24 -0.18 0.44 -1.94 0.12 -1.82 119.30 113.42 1mg3 s MET 194 Ca 0.32 -1.65 -0.02 0.00 -1.71 0.00 0.00 55.69 52.63 1mg3 s MET 194 Cb -0.08 0.05 -0.01 0.00 2.01 0.00 0.00 34.83 36.80 1mg3 s MET 194 CO 0.24 -0.33 -0.09 -1.58 -0.01 0.00 0.00 175.02 173.25 1mg3 s HIS 195 N -3.98 2.89 0.27 -0.03 2.46 -0.48 -0.47 115.29 115.93 1mg3 s HIS 195 Ca 0.36 -0.89 0.06 0.00 0.47 0.00 0.00 55.06 55.06 1mg3 s HIS 195 Cb 0.07 -1.98 -0.03 0.00 -0.13 0.00 0.00 32.58 30.51 1mg3 s HIS 195 CO 0.11 -0.44 0.34 0.00 -2.47 0.00 0.00 174.74 172.28 1mg3 h ARG 197 N 1.20 0.48 -0.35 0.00 2.43 -1.58 -2.09 114.38 114.46 1mg3 h ARG 197 Ca -0.50 -0.03 0.10 0.00 -0.81 0.00 0.00 59.98 58.75 1mg3 h ARG 197 Cb 1.24 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 1mg3 h ARG 197 CO 0.59 0.32 0.37 0.38 -1.51 0.00 0.00 179.97 180.12 1mg3 h ASP 198 N 0.49 0.00 0.00 -3.80 3.04 -1.95 -3.44 116.42 110.76 1mg3 h ASP 198 Ca 0.23 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.02 1mg3 h ASP 198 Cb 0.16 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.45 1mg3 h ASP 198 CO -0.17 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.64 1mg3 n GLY 199 N -1.47 1.12 4.01 7.15 0.00 -0.79 -4.94 105.19 110.27 1mg3 n GLY 199 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 1mg3 n GLY 199 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mg3 s SER 200 N -1.48 5.21 -0.06 1.61 1.04 -1.26 -1.89 113.70 116.87 1mg3 s SER 200 Ca 0.00 -0.76 0.02 0.00 0.48 0.00 0.00 55.95 55.69 1mg3 s SER 200 Cb 0.00 0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.12 1mg3 s SER 200 CO 0.00 -1.15 -0.09 -0.22 0.98 0.00 0.00 173.24 172.76 1mg3 s LEU 201 N -4.54 3.01 -0.09 2.42 2.96 -1.26 -0.90 118.68 120.29 1mg3 s LEU 201 Ca 0.58 -0.09 -0.01 0.00 -0.22 0.00 0.00 54.13 54.39 1mg3 s LEU 201 Cb -0.06 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 1mg3 s LEU 201 CO 0.36 0.35 -0.02 0.00 -1.32 0.00 0.00 176.35 175.72 1mg3 s ALA 202 N -0.75 3.18 -0.24 5.97 0.00 0.38 -1.52 121.76 128.78 1mg3 s ALA 202 Ca 0.11 -0.83 -0.05 0.00 0.00 0.00 0.00 51.96 51.19 1mg3 s ALA 202 Cb -0.11 -1.42 -0.01 0.00 0.00 0.00 0.00 23.12 21.57 1mg3 s ALA 202 CO 0.01 0.55 0.01 0.21 0.00 0.00 0.00 175.76 176.54 1mg3 s LYS 203 N -0.75 3.45 -0.22 0.00 2.20 0.21 0.16 119.74 124.79 1mg3 s LYS 203 Ca 0.12 -0.59 -0.02 0.00 -0.36 0.00 0.00 55.97 55.11 1mg3 s LYS 203 Cb -0.11 -3.16 0.01 0.00 -1.51 0.00 0.00 37.83 33.06 1mg3 s LYS 203 CO 0.02 -0.22 -0.09 0.08 -0.36 0.00 0.00 175.35 174.78 1mg3 s VAL 204 N 1.53 2.90 -0.27 4.02 1.01 0.52 -1.88 120.40 128.23 1mg3 s VAL 204 Ca 0.06 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.30 1mg3 s VAL 204 Cb -0.15 -2.34 0.04 0.00 0.00 0.00 0.00 36.38 33.94 1mg3 s VAL 204 CO -0.00 0.40 -0.06 0.00 0.00 0.00 0.00 175.10 175.44 1mg3 s ALA 205 N 1.39 2.69 0.02 5.51 0.00 -0.80 -0.88 121.76 129.69 1mg3 s ALA 205 Ca 0.04 -1.65 0.04 0.00 0.00 0.00 0.00 51.96 50.39 1mg3 s ALA 205 Cb -0.14 -1.74 -0.04 0.00 0.00 0.00 0.00 23.12 21.21 1mg3 s ALA 205 CO -0.06 -1.08 -0.06 -0.59 0.00 0.00 0.00 175.76 173.97 1mg3 s PHE 206 N 1.23 2.90 0.00 0.00 -0.71 0.51 -1.67 117.98 120.24 1mg3 s PHE 206 Ca -0.04 -0.04 0.00 0.00 -1.04 0.00 0.00 56.93 55.81 1mg3 s PHE 206 Cb -0.19 -1.59 0.00 0.00 -1.21 0.00 0.00 43.02 40.03 1mg3 s PHE 206 CO -0.04 0.40 0.00 0.41 -1.34 0.00 0.00 175.22 174.65 1mg3 n GLY 207 N 1.38 1.96 0.13 1.99 0.00 -1.26 -4.72 105.19 104.66 1mg3 n GLY 207 Ca -0.15 -2.11 -0.01 0.00 0.00 0.00 0.00 46.02 43.75 1mg3 n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mg3 h THR 208 N 0.01 1.41 -3.95 2.61 1.03 -2.00 -3.46 112.91 108.55 1mg3 h THR 208 Ca 0.00 -2.26 -0.12 0.00 -0.01 0.00 0.00 66.41 64.03 1mg3 h THR 208 Cb 0.00 2.24 -0.12 0.00 -1.07 0.00 0.00 68.15 69.20 1mg3 h THR 208 CO 0.00 0.63 -0.30 -1.83 -0.01 0.00 0.00 175.52 174.01 1mg3 s GLU 209 N -3.45 1.34 0.00 0.00 -1.05 -1.26 -5.02 118.70 109.25 1mg3 s GLU 209 Ca -0.01 -1.31 0.00 0.00 -0.15 0.00 0.00 54.97 53.50 1mg3 s GLU 209 Cb 0.12 0.39 0.00 0.00 -0.44 0.00 0.00 34.13 34.20 1mg3 s GLU 209 CO 0.76 -0.51 0.00 0.41 0.95 0.00 0.00 175.26 176.87 1mg3 n GLY 210 N -0.30 -1.69 3.65 -3.83 0.00 -1.26 -4.92 105.19 96.83 1mg3 n GLY 210 Ca -0.03 -1.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 1mg3 n GLY 210 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1mg3 n THR 211 N -1.31 2.09 -2.77 2.61 -1.04 -1.26 -4.74 114.28 107.86 1mg3 n THR 211 Ca 0.00 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.05 61.14 1mg3 n THR 211 Cb 0.00 -1.30 -0.06 0.00 -1.82 0.00 0.00 70.33 67.15 1mg3 n THR 211 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1mg3 s PRO 212 N -1.80 4.63 -0.43 -2.82 0.04 -1.26 -4.83 135.00 128.54 1mg3 s PRO 212 Ca 0.58 1.36 -0.27 0.00 0.04 0.00 0.00 61.00 62.70 1mg3 s PRO 212 Cb -0.61 -2.89 0.02 0.00 0.04 0.00 0.00 34.50 31.07 1mg3 s PRO 212 CO 0.60 0.32 1.03 -2.00 0.04 0.00 0.00 177.00 177.00 1mg3 s GLU 213 N -1.90 3.75 -0.02 4.56 2.12 -0.67 -4.94 118.70 121.61 1mg3 s GLU 213 Ca 0.49 0.54 0.02 0.00 0.36 0.00 0.00 54.97 56.38 1mg3 s GLU 213 Cb -0.20 -3.86 -0.03 0.00 0.26 0.00 0.00 34.13 30.29 1mg3 s GLU 213 CO 0.25 -1.18 -0.05 0.42 -0.54 0.00 0.00 175.26 174.16 1mg3 s ILE 214 N 3.95 3.79 -0.09 -3.70 1.01 -1.26 -1.91 121.20 122.99 1mg3 s ILE 214 Ca 0.43 -0.63 -0.08 0.00 0.00 0.00 0.00 60.65 60.37 1mg3 s ILE 214 Cb -0.10 -2.62 0.02 0.00 0.01 0.00 0.00 42.46 39.77 1mg3 s ILE 214 CO 0.25 0.46 0.24 0.42 0.00 0.00 0.00 174.94 176.32 1mg3 s THR 215 N -0.95 -0.00 0.37 2.92 -4.23 -0.79 -4.98 115.64 107.98 1mg3 s THR 215 Ca 0.16 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.74 1mg3 s THR 215 Cb -0.11 -0.34 -0.01 0.00 1.34 0.00 0.00 72.50 73.38 1mg3 s THR 215 CO 0.06 0.00 0.47 -1.00 -0.54 0.00 0.00 174.62 173.61 1mg3 s HIS 216 N 0.14 2.96 0.26 3.99 3.76 -1.26 0.64 115.29 125.79 1mg3 s HIS 216 Ca -0.00 -0.31 0.01 0.00 -0.15 0.00 0.00 55.06 54.61 1mg3 s HIS 216 Cb -0.02 -2.10 0.01 0.00 1.11 0.00 0.00 32.58 31.59 1mg3 s HIS 216 CO 0.00 -0.12 0.11 0.25 -0.85 0.00 0.00 174.74 174.14 1mg3 n THR 217 N -1.66 0.00 -1.95 1.30 -2.24 -0.58 -4.92 114.28 104.23 1mg3 n THR 217 Ca 0.02 -1.13 -0.33 0.00 -2.27 0.00 0.00 64.05 60.34 1mg3 n THR 217 Cb 0.59 -0.05 0.02 0.00 -2.10 0.00 0.00 70.33 68.79 1mg3 n THR 217 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1mg3 s GLU 218 N -3.03 3.16 0.06 -0.78 -1.05 -1.26 -4.58 118.70 111.21 1mg3 s GLU 218 Ca 0.09 1.25 -0.31 0.00 -0.15 0.00 0.00 54.97 55.85 1mg3 s GLU 218 Cb -0.01 -2.01 -0.07 0.00 -0.44 0.00 0.00 34.13 31.61 1mg3 s GLU 218 CO 0.06 -0.94 1.41 0.08 0.95 0.00 0.00 175.26 176.81 1mg3 s VAL 219 N -2.44 3.50 -2.35 1.83 1.01 -1.26 -4.41 120.40 116.27 1mg3 s VAL 219 Ca 0.64 0.99 0.22 0.00 0.00 0.00 0.00 61.98 63.83 1mg3 s VAL 219 Cb -0.17 -3.64 0.36 0.00 0.00 0.00 0.00 36.38 32.93 1mg3 s VAL 219 CO 0.39 0.03 1.33 2.22 0.00 0.00 0.00 175.10 179.07 1mg3 n PHE 220 N 4.75 0.40 -3.60 5.22 -1.74 -0.79 -4.95 117.46 116.74 1mg3 n PHE 220 Ca 0.12 -0.22 -0.16 0.00 -0.56 0.00 0.00 57.45 56.64 1mg3 n PHE 220 Cb 0.43 -0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.36 1mg3 n PHE 220 CO 0.00 0.00 0.00 -3.38 -0.56 0.00 0.00 176.76 172.82 1mg3 s HIS 221 N -1.47 -0.62 0.96 2.97 -3.43 -1.26 -5.12 115.29 107.33 1mg3 s HIS 221 Ca 0.34 1.23 -0.11 0.00 -0.80 0.00 0.00 55.06 55.72 1mg3 s HIS 221 Cb 0.21 0.31 0.17 0.00 -1.43 0.00 0.00 32.58 31.84 1mg3 s HIS 221 CO 0.29 -0.49 1.09 -1.25 -2.00 0.00 0.00 174.74 172.38 1mg3 s PRO 222 N -0.67 0.69 0.47 -0.38 0.04 -1.26 -4.83 135.00 129.07 1mg3 s PRO 222 Ca -0.07 1.03 0.27 0.00 0.04 0.00 0.00 61.00 62.26 1mg3 s PRO 222 Cb -0.02 -1.73 1.00 0.00 0.04 0.00 0.00 34.50 33.79 1mg3 s PRO 222 CO 0.06 -2.69 1.85 1.49 0.04 0.00 0.00 177.00 177.75 1mg3 h GLU 223 N -1.89 0.00 -0.64 4.56 4.81 -1.98 -2.70 114.58 116.74 1mg3 h GLU 223 Ca -0.51 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1mg3 h GLU 223 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1mg3 h GLU 223 CO 0.50 0.15 0.00 -0.40 -0.73 0.00 0.00 179.01 178.53 1mg3 n ASP 224 N -3.28 4.32 -4.41 1.04 3.85 -1.26 -4.79 116.55 112.03 1mg3 n ASP 224 Ca 0.01 -2.43 -0.35 0.00 -0.71 0.00 0.00 54.79 51.31 1mg3 n ASP 224 Cb 0.41 -0.55 -0.13 0.00 -1.35 0.00 0.00 41.12 39.49 1mg3 n ASP 224 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 1mg3 s GLU 225 N -1.89 3.54 -0.27 0.11 2.12 -1.02 -5.09 118.70 116.21 1mg3 s GLU 225 Ca 0.45 -0.56 -0.07 0.00 0.36 0.00 0.00 54.97 55.15 1mg3 s GLU 225 Cb 0.30 -3.03 -0.01 0.00 0.26 0.00 0.00 34.13 31.64 1mg3 s GLU 225 CO 0.21 -0.03 0.07 -0.06 -0.54 0.00 0.00 175.26 174.90 1mg3 s PHE 226 N 1.08 3.10 -0.13 5.30 0.08 -1.26 -4.80 117.98 121.34 1mg3 s PHE 226 Ca 0.02 -0.72 -0.24 0.00 0.12 0.00 0.00 56.93 56.11 1mg3 s PHE 226 Cb -0.14 -2.24 -0.03 0.00 -0.57 0.00 0.00 43.02 40.04 1mg3 s PHE 226 CO 0.01 -0.48 0.74 -0.51 -0.10 0.00 0.00 175.22 174.88 1mg3 s LEU 227 N 1.55 4.22 0.87 -0.37 1.02 -1.26 -2.36 118.68 122.36 1mg3 s LEU 227 Ca 0.05 1.11 -0.12 0.00 0.02 0.00 0.00 54.13 55.19 1mg3 s LEU 227 Cb -0.16 -3.11 0.12 0.00 0.02 0.00 0.00 46.19 43.06 1mg3 s LEU 227 CO 0.02 -0.27 1.15 2.30 0.02 0.00 0.00 176.35 179.58 1mg3 n ILE 228 N 4.36 0.90 1.20 -0.59 -5.35 -0.94 -4.90 119.36 114.04 1mg3 n ILE 228 Ca 0.01 -0.10 0.13 0.00 -0.27 0.00 0.00 62.75 62.52 1mg3 n ILE 228 Cb 0.50 -1.07 0.64 0.00 -1.74 0.00 0.00 39.64 37.97 1mg3 n ILE 228 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1mg3 n ASN 229 N -3.73 0.00 -3.24 7.28 3.02 -1.26 -4.16 115.26 113.17 1mg3 n ASN 229 Ca 0.13 -0.06 -0.26 0.00 -0.03 0.00 0.00 54.58 54.35 1mg3 n ASN 229 Cb 0.51 -0.29 -0.06 0.00 -0.61 0.00 0.00 39.78 39.33 1mg3 n ASN 229 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1mg3 n HIS 230 N -1.29 3.43 -1.55 3.10 8.25 -1.26 -4.86 115.22 121.04 1mg3 n HIS 230 Ca 0.12 -4.06 -0.30 0.00 -0.26 0.00 0.00 57.72 53.22 1mg3 n HIS 230 Cb 0.21 -0.52 0.08 0.00 1.12 0.00 0.00 29.99 30.88 1mg3 n HIS 230 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1mg3 s PRO 231 N -2.74 2.22 -0.13 -0.41 0.04 -1.26 -4.42 135.00 128.31 1mg3 s PRO 231 Ca 0.43 0.70 -0.07 0.00 0.04 0.00 0.00 61.00 62.10 1mg3 s PRO 231 Cb 0.20 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.77 1mg3 s PRO 231 CO -0.06 -1.54 0.11 0.00 0.04 0.00 0.00 177.00 175.55 1mg3 s ALA 232 N -3.13 3.74 -0.12 8.56 0.00 -0.34 -4.95 121.76 125.52 1mg3 s ALA 232 Ca 0.60 -0.68 -0.04 0.00 0.00 0.00 0.00 51.96 51.85 1mg3 s ALA 232 Cb -0.14 -1.91 0.05 0.00 0.00 0.00 0.00 23.12 21.11 1mg3 s ALA 232 CO 0.54 0.54 0.10 -0.47 0.00 0.00 0.00 175.76 176.47 1mg3 s TYR 233 N -0.78 0.07 -0.65 0.00 5.04 -1.26 -0.25 117.35 119.52 1mg3 s TYR 233 Ca 0.13 0.01 -0.20 0.00 -2.44 0.00 0.00 57.07 54.57 1mg3 s TYR 233 Cb -0.12 -0.55 0.10 0.00 0.35 0.00 0.00 41.96 41.74 1mg3 s TYR 233 CO 0.03 -0.39 0.81 0.45 -1.34 0.00 0.00 175.55 175.11 1mg3 s SER 234 N 2.18 6.24 0.43 4.32 0.15 -0.11 -4.89 113.70 122.01 1mg3 s SER 234 Ca 0.03 -1.41 0.14 0.00 0.70 0.00 0.00 55.95 55.41 1mg3 s SER 234 Cb -0.14 -2.34 1.02 0.00 -1.71 0.00 0.00 66.02 62.84 1mg3 s SER 234 CO -0.07 -1.18 1.97 -0.61 1.20 0.00 0.00 173.24 174.54 1mg3 h GLN 235 N 9.22 0.42 -0.15 5.44 4.15 -1.90 0.98 115.11 133.26 1mg3 h GLN 235 Ca -0.24 -0.03 -0.22 0.00 0.77 0.00 0.00 58.65 58.94 1mg3 h GLN 235 Cb 1.08 -0.09 0.01 0.00 0.21 0.00 0.00 27.48 28.68 1mg3 h GLN 235 CO 1.11 0.28 -0.77 0.87 -1.93 0.00 0.00 178.83 178.39 1mg3 h LYS 236 N 0.43 0.74 -0.65 1.69 1.57 -1.96 -3.17 116.57 115.22 1mg3 h LYS 236 Ca 0.29 -0.60 0.00 0.00 -1.87 0.00 0.00 60.65 58.47 1mg3 h LYS 236 Cb 0.57 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1mg3 h LYS 236 CO -0.08 1.21 0.00 0.00 -0.57 0.00 0.00 179.45 180.01 1mg3 n ALA 237 N -2.59 2.51 -1.98 3.86 0.00 -0.91 -4.93 120.51 116.47 1mg3 n ALA 237 Ca -0.07 -1.18 -0.08 0.00 0.00 0.00 0.00 53.44 52.11 1mg3 n ALA 237 Cb 0.74 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 19.21 1mg3 n ALA 237 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mg3 n GLY 238 N 1.45 -0.01 3.74 0.00 0.00 0.29 -4.73 105.19 105.93 1mg3 n GLY 238 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 1mg3 n GLY 238 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1mg3 s ARG 239 N -4.11 3.78 -0.32 1.61 6.06 -1.00 -0.14 118.95 124.83 1mg3 s ARG 239 Ca 0.00 -0.25 0.02 0.00 -2.50 0.00 0.00 55.73 52.99 1mg3 s ARG 239 Cb 0.00 -3.22 0.08 0.00 0.06 0.00 0.00 34.95 31.87 1mg3 s ARG 239 CO 0.00 0.47 0.02 -1.17 -2.50 0.00 0.00 175.30 172.12 1mg3 s LEU 240 N -0.16 4.33 -0.49 -0.88 0.20 -0.73 -0.94 118.68 120.00 1mg3 s LEU 240 Ca 0.09 -1.79 -0.19 0.00 0.69 0.00 0.00 54.13 52.93 1mg3 s LEU 240 Cb -0.12 -1.65 0.05 0.00 -0.43 0.00 0.00 46.19 44.05 1mg3 s LEU 240 CO 0.01 -0.33 0.60 -0.69 -0.29 0.00 0.00 176.35 175.64 1mg3 s VAL 241 N 1.05 4.91 -0.31 1.68 1.01 0.65 -1.45 120.40 127.94 1mg3 s VAL 241 Ca 0.02 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 1mg3 s VAL 241 Cb -0.20 -4.26 0.06 0.00 0.00 0.00 0.00 36.38 31.98 1mg3 s VAL 241 CO -0.06 -0.75 0.02 0.86 0.00 0.00 0.00 175.10 175.18 1mg3 s TRP 242 N 2.53 3.32 0.68 5.22 -0.11 0.16 -1.20 118.94 129.54 1mg3 s TRP 242 Ca 0.14 -2.00 -0.07 0.00 1.22 0.00 0.00 56.10 55.40 1mg3 s TRP 242 Cb -0.19 -2.26 0.05 0.00 -1.50 0.00 0.00 33.47 29.56 1mg3 s TRP 242 CO 0.12 -0.83 1.01 -2.14 -4.62 0.00 0.00 176.95 170.48 1mg3 s PRO 243 N 1.22 2.42 0.39 5.86 0.02 -1.26 -0.74 135.00 142.91 1mg3 s PRO 243 Ca -0.03 -0.10 0.08 0.00 0.02 0.00 0.00 61.00 60.96 1mg3 s PRO 243 Cb -0.20 -2.17 -0.07 0.00 0.02 0.00 0.00 34.50 32.08 1mg3 s PRO 243 CO -0.02 -1.11 0.01 0.95 -0.33 0.00 0.00 177.00 176.50 1mg3 s THR 244 N -3.22 2.13 0.62 0.99 -4.23 -0.83 -2.22 115.64 108.88 1mg3 s THR 244 Ca 0.58 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.39 1mg3 s THR 244 Cb -0.11 -2.91 0.35 0.00 1.34 0.00 0.00 72.50 71.17 1mg3 s THR 244 CO 0.46 -0.06 1.98 1.88 -0.54 0.00 0.00 174.62 178.34 1mg3 h TYR 245 N 1.78 0.00 0.00 3.99 -1.99 -1.81 -1.85 116.97 117.09 1mg3 h TYR 245 Ca -0.43 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.30 1mg3 h TYR 245 Cb 1.24 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.97 1mg3 h TYR 245 CO 0.72 0.00 -0.82 0.25 -0.00 0.00 0.00 178.16 178.32 1mg3 n THR 246 N -3.42 0.20 0.00 -2.88 -2.24 -1.26 -3.78 114.28 100.89 1mg3 n THR 246 Ca 0.02 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1mg3 n THR 246 Cb 0.45 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 1mg3 n THR 246 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mg3 n GLY 247 N 1.38 0.45 3.77 3.38 0.00 -0.70 -4.66 105.19 108.81 1mg3 n GLY 247 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1mg3 n GLY 247 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1mg3 s LYS 248 N -0.75 3.87 -0.06 1.61 2.20 -1.26 -1.23 119.74 124.12 1mg3 s LYS 248 Ca 0.00 2.02 0.04 0.00 -0.36 0.00 0.00 55.97 57.68 1mg3 s LYS 248 Cb 0.00 -2.63 -0.00 0.00 -1.51 0.00 0.00 37.83 33.69 1mg3 s LYS 248 CO 0.00 -0.53 -0.19 0.42 -0.36 0.00 0.00 175.35 174.69 1mg3 s ILE 249 N -1.35 1.64 -0.16 5.43 1.01 0.20 -1.97 121.20 126.01 1mg3 s ILE 249 Ca 0.59 -0.81 -0.06 0.00 0.00 0.00 0.00 60.65 60.38 1mg3 s ILE 249 Cb -0.35 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 1mg3 s ILE 249 CO 0.44 0.47 0.04 -1.00 0.00 0.00 0.00 174.94 174.89 1mg3 s HIS 250 N 0.21 3.22 -0.08 3.97 3.76 0.08 -2.27 115.29 124.18 1mg3 s HIS 250 Ca -0.10 0.07 0.03 0.00 -0.15 0.00 0.00 55.06 54.90 1mg3 s HIS 250 Cb -0.14 -1.99 0.01 0.00 1.11 0.00 0.00 32.58 31.56 1mg3 s HIS 250 CO 0.05 0.22 -0.16 -0.65 -0.85 0.00 0.00 174.74 173.35 1mg3 s GLN 251 N 0.03 2.14 -0.18 1.40 -0.21 -1.26 0.36 119.66 121.94 1mg3 s GLN 251 Ca 0.04 -0.56 0.01 0.00 0.02 0.00 0.00 55.36 54.87 1mg3 s GLN 251 Cb -0.12 -1.70 0.02 0.00 1.00 0.00 0.00 33.01 32.20 1mg3 s GLN 251 CO 0.01 0.07 -0.20 0.42 -2.12 0.00 0.00 175.29 173.47 1mg3 s ILE 252 N 0.58 2.04 -0.20 1.08 1.09 -0.53 -1.68 121.20 123.58 1mg3 s ILE 252 Ca -0.16 -0.93 -0.24 0.00 -1.10 0.00 0.00 60.65 58.22 1mg3 s ILE 252 Cb -0.16 -1.85 -0.01 0.00 -1.06 0.00 0.00 42.46 39.38 1mg3 s ILE 252 CO 0.05 0.54 0.81 -0.62 -0.10 0.00 0.00 174.94 175.61 1mg3 s ASP 253 N 1.29 6.87 0.00 3.58 2.15 0.13 -1.78 116.67 128.91 1mg3 s ASP 253 Ca 0.05 1.07 0.08 0.00 0.43 0.00 0.00 52.55 54.18 1mg3 s ASP 253 Cb -0.13 -2.43 0.09 0.00 -0.30 0.00 0.00 42.92 40.15 1mg3 s ASP 253 CO -0.13 -0.43 0.82 0.18 -0.17 0.00 0.00 175.17 175.44 1mg3 n LEU 254 N 5.54 1.83 -0.29 -1.34 4.32 0.80 -1.53 117.00 126.34 1mg3 n LEU 254 Ca 0.04 -1.14 0.06 0.00 -0.02 0.00 0.00 56.01 54.95 1mg3 n LEU 254 Cb 0.48 -0.02 0.20 0.00 -1.62 0.00 0.00 43.42 42.46 1mg3 n LEU 254 CO 0.47 0.38 1.10 0.77 -1.22 0.00 0.00 177.39 178.90 1mg3 h SER 255 N 1.62 0.53 0.37 -1.43 4.64 -1.83 0.66 113.55 118.11 1mg3 h SER 255 Ca 0.00 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1mg3 h SER 255 Cb 0.39 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1mg3 h SER 255 CO 0.00 0.25 0.00 -1.54 -0.87 0.00 0.00 176.83 174.67 1mg3 n SER 256 N -4.86 0.54 0.00 4.97 3.41 -1.26 -4.78 113.62 111.65 1mg3 n SER 256 Ca 0.16 0.69 0.00 0.00 -0.26 0.00 0.00 58.87 59.45 1mg3 n SER 256 Cb 0.39 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.56 1mg3 n SER 256 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mg3 n GLY 257 N -0.63 0.34 3.02 5.00 0.00 0.22 -5.05 105.19 108.09 1mg3 n GLY 257 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1mg3 n GLY 257 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1mg3 s ASP 258 N -2.64 0.95 0.36 1.61 1.01 -1.25 -5.08 116.67 111.63 1mg3 s ASP 258 Ca 0.00 -0.20 -0.28 0.00 0.71 0.00 0.00 52.55 52.78 1mg3 s ASP 258 Cb 0.00 -0.09 -0.12 0.00 1.01 0.00 0.00 42.92 43.73 1mg3 s ASP 258 CO 0.00 0.06 1.43 0.00 0.21 0.00 0.00 175.17 176.87 1mg3 n ALA 259 N 2.68 2.01 -3.49 5.23 0.00 -1.26 -4.36 120.51 121.32 1mg3 n ALA 259 Ca -0.14 0.35 -0.17 0.00 0.00 0.00 0.00 53.44 53.48 1mg3 n ALA 259 Cb 0.57 -2.36 -0.12 0.00 0.00 0.00 0.00 19.45 17.53 1mg3 n ALA 259 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1mg3 s LYS 260 N -1.93 0.21 -0.26 0.00 2.20 -0.58 -4.97 119.74 114.40 1mg3 s LYS 260 Ca 0.55 0.30 -0.28 0.00 -0.36 0.00 0.00 55.97 56.17 1mg3 s LYS 260 Cb -0.51 -1.00 0.01 0.00 -1.51 0.00 0.00 37.83 34.82 1mg3 s LYS 260 CO 0.62 -0.62 1.03 -0.06 -0.36 0.00 0.00 175.35 175.96 1mg3 s PHE 261 N 2.36 3.28 0.70 4.03 0.08 -1.26 -0.69 117.98 126.48 1mg3 s PHE 261 Ca 0.07 1.35 -0.09 0.00 0.12 0.00 0.00 56.93 58.38 1mg3 s PHE 261 Cb -0.15 -3.37 0.03 0.00 -0.57 0.00 0.00 43.02 38.96 1mg3 s PHE 261 CO -0.12 -0.55 1.05 -0.51 -0.10 0.00 0.00 175.22 174.99 1mg3 s LEU 262 N 3.29 2.89 0.26 -0.37 1.02 -0.68 -4.99 118.68 120.10 1mg3 s LEU 262 Ca 0.43 0.85 -0.31 0.00 0.02 0.00 0.00 54.13 55.13 1mg3 s LEU 262 Cb -0.14 -3.57 -0.11 0.00 0.02 0.00 0.00 46.19 42.38 1mg3 s LEU 262 CO 0.09 -1.43 1.62 -2.84 0.02 0.00 0.00 176.35 173.81 1mg3 s PRO 263 N -5.30 4.14 0.86 1.29 0.02 -1.26 -4.63 135.00 130.12 1mg3 s PRO 263 Ca 0.58 2.55 -0.10 0.00 0.02 0.00 0.00 61.00 64.05 1mg3 s PRO 263 Cb -0.11 -3.05 0.11 0.00 0.02 0.00 0.00 34.50 31.47 1mg3 s PRO 263 CO 0.48 -0.65 1.12 0.00 -0.33 0.00 0.00 177.00 177.62 1mg3 s ALA 264 N 0.41 1.77 0.00 -1.55 0.00 -1.26 -4.80 121.76 116.33 1mg3 s ALA 264 Ca 0.67 0.40 -0.02 0.00 0.00 0.00 0.00 51.96 53.01 1mg3 s ALA 264 Cb -0.48 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.28 1mg3 s ALA 264 CO 0.42 -2.34 0.04 0.08 0.00 0.00 0.00 175.76 173.96 1mg3 s VAL 265 N -2.77 0.06 -0.39 0.00 1.01 -0.96 -4.98 120.40 112.37 1mg3 s VAL 265 Ca 0.64 -0.53 -0.15 0.00 0.00 0.00 0.00 61.98 61.94 1mg3 s VAL 265 Cb -0.20 -0.24 0.01 0.00 0.00 0.00 0.00 36.38 35.95 1mg3 s VAL 265 CO 0.57 -0.29 0.35 -0.70 0.00 0.00 0.00 175.10 175.03 1mg3 s GLU 266 N -0.90 3.17 0.47 2.72 2.56 -1.26 0.59 118.70 126.05 1mg3 s GLU 266 Ca -0.10 -0.79 0.26 0.00 0.00 0.00 0.00 54.97 54.33 1mg3 s GLU 266 Cb -0.06 -3.93 1.15 0.00 2.00 0.00 0.00 34.13 33.29 1mg3 s GLU 266 CO -0.00 -0.71 1.93 0.00 -0.56 0.00 0.00 175.26 175.92 1mg3 h ALA 267 N 8.62 1.12 -3.33 6.30 0.00 -1.51 -3.43 119.26 127.02 1mg3 h ALA 267 Ca -0.28 -0.17 -0.65 0.00 0.00 0.00 0.00 54.91 53.81 1mg3 h ALA 267 Cb 1.13 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.77 1mg3 h ALA 267 CO 0.73 0.23 -0.66 -0.51 0.00 0.00 0.00 179.25 179.05 1mg3 s LEU 268 N -6.96 3.49 0.68 0.00 1.43 -1.26 -4.97 118.68 111.08 1mg3 s LEU 268 Ca -0.01 -0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 1mg3 s LEU 268 Cb 0.11 -2.22 -0.00 0.00 0.03 0.00 0.00 46.19 44.11 1mg3 s LEU 268 CO 0.61 0.18 1.07 0.42 0.23 0.00 0.00 176.35 178.86 1mg3 s THR 269 N -1.32 3.87 0.25 5.49 -4.23 -1.26 -4.80 115.64 113.64 1mg3 s THR 269 Ca 0.26 0.59 -0.05 0.00 -1.18 0.00 0.00 61.69 61.32 1mg3 s THR 269 Cb -0.12 -3.60 0.23 0.00 1.34 0.00 0.00 72.50 70.35 1mg3 s THR 269 CO 0.19 -0.79 1.86 -0.33 -0.54 0.00 0.00 174.62 175.01 1mg3 h GLU 270 N -0.54 0.99 -0.44 3.99 4.39 -1.98 0.37 114.58 121.36 1mg3 h GLU 270 Ca -0.45 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.07 1mg3 h GLU 270 Cb 1.23 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 1mg3 h GLU 270 CO 0.63 0.65 -0.19 0.00 -1.16 0.00 0.00 179.01 178.94 1mg3 h ALA 271 N 1.42 0.62 -0.38 3.43 0.00 -1.98 -1.05 119.26 121.32 1mg3 h ALA 271 Ca 0.39 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1mg3 h ALA 271 Cb 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1mg3 h ALA 271 CO -0.18 0.58 -0.08 0.93 0.00 0.00 0.00 179.25 180.51 1mg3 h GLU 272 N 0.74 0.73 -0.26 0.00 5.08 -1.61 0.59 114.58 119.86 1mg3 h GLU 272 Ca 0.10 -0.27 -0.13 0.00 -1.00 0.00 0.00 59.36 58.06 1mg3 h GLU 272 Cb 0.76 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1mg3 h GLU 272 CO 0.06 0.87 -0.37 0.00 -1.00 0.00 0.00 179.01 178.56 1mg3 h ARG 273 N 0.53 0.58 -0.72 2.33 3.08 -0.30 0.20 114.38 120.09 1mg3 h ARG 273 Ca 0.10 -0.28 -0.06 0.00 0.07 0.00 0.00 59.98 59.81 1mg3 h ARG 273 Cb 0.59 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 1mg3 h ARG 273 CO 0.04 0.87 0.22 0.00 -1.07 0.00 0.00 179.97 180.02 1mg3 h ALA 274 N 1.10 0.94 0.00 0.04 0.00 -1.00 -2.36 119.26 117.99 1mg3 h ALA 274 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1mg3 h ALA 274 Cb 0.87 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1mg3 h ALA 274 CO 0.07 0.63 0.00 -0.25 0.00 0.00 0.00 179.25 179.71 1mg3 n ASP 275 N -4.28 0.65 -0.71 0.00 8.00 0.18 -4.86 116.55 115.54 1mg3 n ASP 275 Ca 0.06 -1.95 -0.06 0.00 0.71 0.00 0.00 54.79 53.55 1mg3 n ASP 275 Cb 0.23 -0.32 -0.00 0.00 -0.02 0.00 0.00 41.12 41.00 1mg3 n ASP 275 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mg3 n GLY 276 N 0.17 0.16 3.80 0.44 0.00 -0.89 -4.91 105.19 103.96 1mg3 n GLY 276 Ca 0.00 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 1mg3 n GLY 276 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1mg3 s TRP 277 N -2.34 3.80 0.15 1.61 0.52 0.68 -1.88 118.94 121.46 1mg3 s TRP 277 Ca 0.01 1.30 -0.17 0.00 0.02 0.00 0.00 56.10 57.26 1mg3 s TRP 277 Cb -0.00 -2.54 0.03 0.00 -1.15 0.00 0.00 33.47 29.81 1mg3 s TRP 277 CO 0.01 0.54 0.44 1.03 0.02 0.00 0.00 176.95 178.99 1mg3 s ARG 278 N -0.95 1.16 0.73 4.98 0.52 -0.28 -4.49 118.95 120.62 1mg3 s ARG 278 Ca 0.30 -0.74 -0.11 0.00 -0.52 0.00 0.00 55.73 54.65 1mg3 s ARG 278 Cb -0.20 0.49 0.03 0.00 0.52 0.00 0.00 34.95 35.79 1mg3 s ARG 278 CO 0.19 -0.47 1.09 -1.25 0.02 0.00 0.00 175.30 174.88 1mg3 s PRO 279 N -3.82 2.67 -0.20 3.54 0.04 -1.25 -1.66 135.00 134.32 1mg3 s PRO 279 Ca 0.05 0.59 -0.29 0.00 0.04 0.00 0.00 61.00 61.39 1mg3 s PRO 279 Cb 0.01 -1.99 0.14 0.00 0.04 0.00 0.00 34.50 32.70 1mg3 s PRO 279 CO -0.10 -1.20 1.06 0.20 0.04 0.00 0.00 177.00 177.01 1mg3 s GLY 280 N -4.14 -0.18 0.00 0.56 0.00 -0.94 -4.78 107.32 97.85 1mg3 s GLY 280 Ca 0.59 2.31 0.00 0.00 0.00 0.00 0.00 44.72 47.61 1mg3 s GLY 280 CO 0.53 1.24 0.00 0.61 0.00 0.00 0.00 173.10 175.48 1mg3 n GLY 281 N 1.04 0.67 0.00 0.20 0.00 -0.45 -4.34 105.19 102.30 1mg3 n GLY 281 Ca -0.10 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1mg3 n GLY 281 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1mg3 n TRP 282 N 4.30 0.00 -2.47 1.61 -0.00 0.35 -4.54 117.44 116.69 1mg3 n TRP 282 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.50 57.11 1mg3 n TRP 282 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.28 1mg3 n TRP 282 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 1mg3 s GLN 283 N 0.28 3.30 0.27 5.87 -0.21 -1.19 -4.66 119.66 123.31 1mg3 s GLN 283 Ca 0.00 -0.65 0.21 0.00 0.02 0.00 0.00 55.36 54.94 1mg3 s GLN 283 Cb 0.00 -4.91 0.09 0.00 1.00 0.00 0.00 33.01 29.20 1mg3 s GLN 283 CO 0.00 -2.35 1.24 1.96 -2.12 0.00 0.00 175.29 174.02 1mg3 h GLN 284 N 10.36 0.00 -6.21 2.91 4.20 -1.81 -1.82 115.11 122.75 1mg3 h GLN 284 Ca 0.01 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 58.12 1mg3 h GLN 284 Cb 1.03 0.00 -0.26 0.00 0.30 0.00 0.00 27.48 28.56 1mg3 h GLN 284 CO 1.35 0.11 -0.85 0.14 -0.67 0.00 0.00 178.83 178.91 1mg3 s VAL 285 N -3.20 1.75 0.09 -0.54 -7.23 -1.26 -0.46 120.40 109.56 1mg3 s VAL 285 Ca 0.02 -1.26 0.04 0.00 -1.81 0.00 0.00 61.98 58.98 1mg3 s VAL 285 Cb 0.08 -1.52 -0.03 0.00 0.56 0.00 0.00 36.38 35.46 1mg3 s VAL 285 CO 0.75 0.22 -0.11 0.00 -0.31 0.00 0.00 175.10 175.64 1mg3 s ALA 286 N -0.82 1.16 -0.11 1.32 0.00 -0.41 -4.56 121.76 118.34 1mg3 s ALA 286 Ca 0.08 -1.15 -0.03 0.00 0.00 0.00 0.00 51.96 50.86 1mg3 s ALA 286 Cb -0.09 -0.01 0.04 0.00 0.00 0.00 0.00 23.12 23.06 1mg3 s ALA 286 CO 0.02 0.02 0.05 -0.47 0.00 0.00 0.00 175.76 175.38 1mg3 s TYR 287 N -2.14 0.38 -0.34 0.00 5.04 -1.26 -1.32 117.35 117.70 1mg3 s TYR 287 Ca 0.04 -0.19 -0.24 0.00 -2.44 0.00 0.00 57.07 54.24 1mg3 s TYR 287 Cb -0.05 -0.70 0.01 0.00 0.35 0.00 0.00 41.96 41.57 1mg3 s TYR 287 CO 0.01 -0.39 0.82 -1.58 -1.34 0.00 0.00 175.55 173.07 1mg3 s HIS 288 N 2.07 3.14 0.05 4.97 5.65 -0.66 -4.95 115.29 125.57 1mg3 s HIS 288 Ca 0.03 0.71 -0.24 0.00 0.25 0.00 0.00 55.06 55.81 1mg3 s HIS 288 Cb -0.14 -3.38 -0.17 0.00 -1.18 0.00 0.00 32.58 27.71 1mg3 s HIS 288 CO -0.06 -0.69 1.57 -0.09 -0.65 0.00 0.00 174.74 174.82 1mg3 h ARG 289 N 8.33 -0.07 -0.62 2.88 2.43 -1.93 0.12 114.38 125.51 1mg3 h ARG 289 Ca -0.24 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 1mg3 h ARG 289 Cb 1.09 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.63 1mg3 h ARG 289 CO 0.92 0.10 0.40 0.00 -1.51 0.00 0.00 179.97 179.88 1mg3 h ALA 290 N 0.69 0.79 -0.00 2.80 0.00 -1.92 -2.76 119.26 118.87 1mg3 h ALA 290 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1mg3 h ALA 290 Cb 0.21 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1mg3 h ALA 290 CO 0.01 0.24 -0.45 1.28 0.00 0.00 0.00 179.25 180.33 1mg3 n LEU 291 N -4.64 0.60 -3.73 0.00 4.77 -1.23 -4.96 117.00 107.81 1mg3 n LEU 291 Ca 0.05 -0.05 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 1mg3 n LEU 291 Cb 0.03 -0.22 0.03 0.00 -2.33 0.00 0.00 43.42 40.92 1mg3 n LEU 291 CO 0.36 0.14 -0.11 -0.67 -1.33 0.00 0.00 177.39 175.78 1mg3 n ASP 292 N -1.33 -3.41 -4.40 -1.43 2.03 0.38 -4.90 116.55 103.49 1mg3 n ASP 292 Ca 0.07 -0.97 -0.26 0.00 0.52 0.00 0.00 54.79 54.15 1mg3 n ASP 292 Cb 0.34 -3.49 -0.12 0.00 -0.72 0.00 0.00 41.12 37.13 1mg3 n ASP 292 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1mg3 s ARG 293 N -6.06 1.46 -0.08 -0.67 0.52 -1.00 -2.14 118.95 110.98 1mg3 s ARG 293 Ca 0.28 -1.47 0.03 0.00 -0.52 0.00 0.00 55.73 54.05 1mg3 s ARG 293 Cb -0.09 -1.77 -0.01 0.00 0.52 0.00 0.00 34.95 33.59 1mg3 s ARG 293 CO 0.85 0.39 -0.18 0.42 0.02 0.00 0.00 175.30 176.80 1mg3 s ILE 294 N -1.61 2.62 -0.10 1.52 1.01 -0.39 -1.65 121.20 122.61 1mg3 s ILE 294 Ca 0.19 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 60.01 1mg3 s ILE 294 Cb -0.08 -2.03 -0.01 0.00 0.01 0.00 0.00 42.46 40.35 1mg3 s ILE 294 CO 0.09 0.56 -0.18 -0.31 0.00 0.00 0.00 174.94 175.10 1mg3 s TYR 295 N -0.09 2.67 -0.03 3.97 1.51 -0.44 -1.67 117.35 123.27 1mg3 s TYR 295 Ca -0.04 -0.67 0.00 0.00 -1.01 0.00 0.00 57.07 55.36 1mg3 s TYR 295 Cb -0.14 -1.74 0.03 0.00 -0.11 0.00 0.00 41.96 40.00 1mg3 s TYR 295 CO 0.04 -0.19 -0.01 -1.17 -1.11 0.00 0.00 175.55 173.11 1mg3 s LEU 296 N 0.08 1.17 -0.36 -1.29 2.96 -0.69 -1.28 118.68 119.26 1mg3 s LEU 296 Ca -0.08 -0.05 -0.29 0.00 -0.22 0.00 0.00 54.13 53.49 1mg3 s LEU 296 Cb -0.15 -0.28 0.01 0.00 0.50 0.00 0.00 46.19 46.27 1mg3 s LEU 296 CO 0.05 -0.10 1.36 -0.76 -1.32 0.00 0.00 176.35 175.59 1mg3 s LEU 297 N 1.04 3.72 0.13 -0.68 1.43 0.40 -1.66 118.68 123.06 1mg3 s LEU 297 Ca -0.09 1.00 0.02 0.00 -1.03 0.00 0.00 54.13 54.03 1mg3 s LEU 297 Cb -0.14 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 1mg3 s LEU 297 CO -0.01 -1.27 -0.04 0.68 0.23 0.00 0.00 176.35 175.93 1mg3 s VAL 298 N 4.95 0.72 0.05 -1.59 -7.23 -0.27 -2.20 120.40 114.83 1mg3 s VAL 298 Ca 0.59 -1.96 -0.28 0.00 -1.81 0.00 0.00 61.98 58.52 1mg3 s VAL 298 Cb -0.15 -1.86 0.10 0.00 0.56 0.00 0.00 36.38 35.03 1mg3 s VAL 298 CO 0.28 -0.71 1.17 -0.62 -0.31 0.00 0.00 175.10 174.92 1mg3 s ASP 299 N -3.10 -0.09 -0.07 4.85 -1.08 -0.66 -2.40 116.67 114.12 1mg3 s ASP 299 Ca 0.17 -0.25 -0.28 0.00 -0.52 0.00 0.00 52.55 51.66 1mg3 s ASP 299 Cb 0.05 0.28 -0.02 0.00 -1.46 0.00 0.00 42.92 41.77 1mg3 s ASP 299 CO -0.01 -0.52 0.93 -1.10 0.52 0.00 0.00 175.17 174.99 1mg3 s GLN 300 N -2.65 4.46 0.20 4.34 -0.21 -1.26 -1.12 119.66 123.41 1mg3 s GLN 300 Ca 0.15 1.29 -0.23 0.00 0.02 0.00 0.00 55.36 56.58 1mg3 s GLN 300 Cb 0.02 -3.50 0.05 0.00 1.00 0.00 0.00 33.01 30.58 1mg3 s GLN 300 CO -0.01 -0.17 0.80 -0.98 -2.12 0.00 0.00 175.29 172.81 1mg3 s ARG 301 N 1.51 1.43 0.87 2.91 1.70 -0.79 -4.95 118.95 121.64 1mg3 s ARG 301 Ca 0.47 -0.75 -0.12 0.00 -0.47 0.00 0.00 55.73 54.87 1mg3 s ARG 301 Cb -0.19 0.52 0.11 0.00 -0.57 0.00 0.00 34.95 34.82 1mg3 s ARG 301 CO 0.21 -0.65 1.09 0.34 -1.08 0.00 0.00 175.30 175.21 1mg3 s ASP 302 N -2.87 3.72 0.37 -2.89 2.15 -1.26 -4.79 116.67 111.10 1mg3 s ASP 302 Ca 0.10 1.42 0.19 0.00 0.43 0.00 0.00 52.55 54.69 1mg3 s ASP 302 Cb -0.03 -2.11 0.61 0.00 -0.30 0.00 0.00 42.92 41.08 1mg3 s ASP 302 CO 0.01 -2.47 1.69 1.05 -0.17 0.00 0.00 175.17 175.28 1mg3 h GLU 303 N -1.44 0.00 -0.78 4.34 4.11 -2.00 -3.19 114.58 115.63 1mg3 h GLU 303 Ca -0.49 0.00 -0.38 0.00 0.07 0.00 0.00 59.36 58.56 1mg3 h GLU 303 Cb 1.28 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.30 1mg3 h GLU 303 CO 0.56 0.37 0.40 0.91 0.07 0.00 0.00 179.01 181.32 1mg3 n TRP 304 N -3.44 2.41 -1.84 2.06 7.02 -1.26 -4.22 117.44 118.18 1mg3 n TRP 304 Ca 0.00 -1.70 -0.17 0.00 -1.02 0.00 0.00 57.50 54.61 1mg3 n TRP 304 Cb 0.54 -0.78 0.08 0.00 -2.42 0.00 0.00 31.31 28.72 1mg3 n TRP 304 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1mg3 n ARG 305 N -1.03 2.99 0.00 -0.99 5.12 -1.20 -4.83 116.66 116.71 1mg3 n ARG 305 Ca 0.50 -3.85 0.07 0.00 -1.93 0.00 0.00 57.85 52.63 1mg3 n ARG 305 Cb 1.45 -2.10 0.30 0.00 -1.16 0.00 0.00 32.46 30.95 1mg3 n ARG 305 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 1mg3 n HIS 306 N -0.84 0.00 0.35 -1.55 1.44 -1.26 -2.90 115.22 110.46 1mg3 n HIS 306 Ca 0.39 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 56.16 1mg3 n HIS 306 Cb 0.90 -0.46 0.08 0.00 0.12 0.00 0.00 29.99 30.63 1mg3 n HIS 306 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1mg3 n LYS 307 N -1.46 1.25 -1.69 -1.40 5.02 -1.26 -1.34 118.16 117.28 1mg3 n LYS 307 Ca 0.04 -1.46 -0.30 0.00 -2.02 0.00 0.00 58.31 54.57 1mg3 n LYS 307 Cb 0.15 -1.26 0.06 0.00 -0.02 0.00 0.00 35.03 33.96 1mg3 n LYS 307 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1mg3 s THR 308 N -1.04 3.62 0.70 -0.18 -4.23 -1.14 -4.19 115.64 109.18 1mg3 s THR 308 Ca 0.17 0.53 -0.12 0.00 -1.18 0.00 0.00 61.69 61.09 1mg3 s THR 308 Cb 0.11 -3.37 0.02 0.00 1.34 0.00 0.00 72.50 70.60 1mg3 s THR 308 CO 0.16 -0.69 1.08 0.00 -0.54 0.00 0.00 174.62 174.63 1mg3 s ALA 309 N -3.19 2.51 0.35 3.99 0.00 -1.26 -1.84 121.76 122.32 1mg3 s ALA 309 Ca 0.59 0.25 0.08 0.00 0.00 0.00 0.00 51.96 52.88 1mg3 s ALA 309 Cb -0.13 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.69 1mg3 s ALA 309 CO 0.54 -1.37 -0.06 -1.12 0.00 0.00 0.00 175.76 173.74 1mg3 s SER 310 N -3.36 3.63 0.00 0.00 0.01 -0.86 -4.84 113.70 108.28 1mg3 s SER 310 Ca 0.61 -1.24 0.00 0.00 1.31 0.00 0.00 55.95 56.63 1mg3 s SER 310 Cb -0.16 -0.34 0.00 0.00 0.21 0.00 0.00 66.02 65.73 1mg3 s SER 310 CO 0.51 -0.29 0.41 0.54 0.41 0.00 0.00 173.24 174.82 1mg3 n ARG 311 N -0.81 -0.75 -4.26 12.44 1.74 -1.25 -0.82 116.66 122.96 1mg3 n ARG 311 Ca -0.05 -0.41 -0.20 0.00 -0.77 0.00 0.00 57.85 56.42 1mg3 n ARG 311 Cb 0.64 -0.90 -0.12 0.00 -1.02 0.00 0.00 32.46 31.06 1mg3 n ARG 311 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1mg3 s PHE 312 N -0.01 1.56 -0.08 -1.55 0.40 -1.01 0.27 117.98 117.57 1mg3 s PHE 312 Ca 0.00 -0.48 -0.00 0.00 -0.60 0.00 0.00 56.93 55.85 1mg3 s PHE 312 Cb 0.00 -0.83 0.02 0.00 0.51 0.00 0.00 43.02 42.73 1mg3 s PHE 312 CO 0.00 0.18 -0.04 0.08 0.70 0.00 0.00 175.22 176.14 1mg3 s VAL 313 N -1.66 0.65 0.12 -0.44 1.01 -0.36 -1.11 120.40 118.61 1mg3 s VAL 313 Ca 0.07 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.98 1mg3 s VAL 313 Cb -0.08 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 1mg3 s VAL 313 CO 0.04 0.29 0.23 0.68 0.00 0.00 0.00 175.10 176.34 1mg3 s VAL 314 N 1.53 5.20 -0.05 2.92 -7.23 -0.66 0.04 120.40 122.14 1mg3 s VAL 314 Ca -0.01 -0.65 0.03 0.00 -1.81 0.00 0.00 61.98 59.54 1mg3 s VAL 314 Cb -0.13 -3.62 0.01 0.00 0.56 0.00 0.00 36.38 33.19 1mg3 s VAL 314 CO -0.04 -0.01 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.91 1mg3 s VAL 315 N -1.65 1.20 0.10 1.32 1.01 0.23 -1.71 120.40 120.90 1mg3 s VAL 315 Ca 0.34 -0.55 -0.00 0.00 0.00 0.00 0.00 61.98 61.76 1mg3 s VAL 315 Cb -0.12 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 1mg3 s VAL 315 CO 0.27 0.36 0.00 -1.48 0.00 0.00 0.00 175.10 174.26 1mg3 s LEU 316 N 0.38 2.16 -0.57 3.92 2.34 -0.67 0.34 118.68 126.58 1mg3 s LEU 316 Ca -0.09 -1.11 -0.27 0.00 0.06 0.00 0.00 54.13 52.72 1mg3 s LEU 316 Cb -0.13 0.18 0.03 0.00 -0.56 0.00 0.00 46.19 45.71 1mg3 s LEU 316 CO 0.03 -0.63 1.13 -0.62 -1.06 0.00 0.00 176.35 175.19 1mg3 s ASP 317 N -3.02 6.42 0.49 1.48 -1.08 -0.15 -1.26 116.67 119.56 1mg3 s ASP 317 Ca 0.17 -0.01 0.34 0.00 -0.52 0.00 0.00 52.55 52.53 1mg3 s ASP 317 Cb 0.07 -2.52 1.47 0.00 -1.46 0.00 0.00 42.92 40.48 1mg3 s ASP 317 CO -0.03 -1.41 1.69 0.00 0.52 0.00 0.00 175.17 175.94 1mg3 h ALA 318 N 9.48 3.01 0.00 3.66 0.00 -1.75 1.17 119.26 134.82 1mg3 h ALA 318 Ca -0.25 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1mg3 h ALA 318 Cb 1.06 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1mg3 h ALA 318 CO 1.16 -1.50 -0.19 -0.22 0.00 0.00 0.00 179.25 178.50 1mg3 h LYS 319 N 0.10 0.00 0.00 0.00 3.64 -1.91 -3.39 116.57 115.01 1mg3 h LYS 319 Ca 0.73 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 60.01 1mg3 h LYS 319 Cb 2.55 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 34.35 1mg3 h LYS 319 CO -0.19 0.38 -0.55 1.79 -2.27 0.00 0.00 179.45 178.62 1mg3 h THR 320 N -1.00 0.68 0.00 1.00 1.35 -1.83 -3.47 112.91 109.63 1mg3 h THR 320 Ca -0.03 -1.99 0.00 0.00 -0.55 0.00 0.00 66.41 63.84 1mg3 h THR 320 Cb 0.49 2.29 0.00 0.00 -1.73 0.00 0.00 68.15 69.20 1mg3 h THR 320 CO -0.02 0.39 0.00 0.61 -0.25 0.00 0.00 175.52 176.25 1mg3 n GLY 321 N 1.23 1.09 3.75 5.82 0.00 0.40 -4.99 105.19 112.48 1mg3 n GLY 321 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1mg3 n GLY 321 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1mg3 s GLU 322 N -0.15 3.16 -0.32 1.61 2.12 -1.25 -4.63 118.70 119.24 1mg3 s GLU 322 Ca 0.00 2.18 -0.23 0.00 0.36 0.00 0.00 54.97 57.28 1mg3 s GLU 322 Cb 0.00 -2.24 0.00 0.00 0.26 0.00 0.00 34.13 32.15 1mg3 s GLU 322 CO 0.00 -1.16 0.78 0.50 -0.54 0.00 0.00 175.26 174.84 1mg3 s ARG 323 N -2.92 3.91 -0.13 4.30 6.06 -1.26 -0.97 118.95 127.95 1mg3 s ARG 323 Ca 0.72 0.52 -0.09 0.00 -2.50 0.00 0.00 55.73 54.37 1mg3 s ARG 323 Cb -0.39 -3.75 -0.26 0.00 0.06 0.00 0.00 34.95 30.62 1mg3 s ARG 323 CO 0.46 -0.71 0.37 -0.07 -2.50 0.00 0.00 175.30 172.85 1mg3 h LEU 324 N 9.51 0.38 -7.86 -0.88 3.38 -0.45 -3.49 115.31 115.90 1mg3 h LEU 324 Ca -0.24 -0.90 0.11 0.00 0.09 0.00 0.00 57.88 56.94 1mg3 h LEU 324 Cb 1.10 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.67 1mg3 h LEU 324 CO 0.89 1.80 0.38 0.00 0.09 0.00 0.00 178.44 181.60 1mg3 s ALA 325 N -2.53 -1.37 -0.19 1.53 0.00 -0.89 -4.97 121.76 113.34 1mg3 s ALA 325 Ca -0.23 -0.20 -0.04 0.00 0.00 0.00 0.00 51.96 51.49 1mg3 s ALA 325 Cb 0.06 0.73 0.10 0.00 0.00 0.00 0.00 23.12 24.01 1mg3 s ALA 325 CO 0.75 -1.04 0.29 0.21 0.00 0.00 0.00 175.76 175.98 1mg3 s LYS 326 N -3.26 0.23 -0.15 0.00 2.20 -1.26 -0.60 119.74 116.90 1mg3 s LYS 326 Ca 0.13 0.51 -0.07 0.00 -0.36 0.00 0.00 55.97 56.18 1mg3 s LYS 326 Cb -0.04 -0.57 -0.04 0.00 -1.51 0.00 0.00 37.83 35.67 1mg3 s LYS 326 CO 0.06 -0.52 0.09 -0.06 -0.36 0.00 0.00 175.35 174.55 1mg3 s PHE 327 N 2.43 3.37 -0.57 4.03 0.08 0.11 -4.93 117.98 122.50 1mg3 s PHE 327 Ca 0.06 0.28 -0.20 0.00 0.12 0.00 0.00 56.93 57.19 1mg3 s PHE 327 Cb -0.14 -2.00 0.08 0.00 -0.57 0.00 0.00 43.02 40.38 1mg3 s PHE 327 CO -0.12 0.41 0.74 -1.21 -0.10 0.00 0.00 175.22 174.94 1mg3 s GLU 328 N -0.26 3.10 0.45 0.44 2.02 -1.26 -1.22 118.70 121.96 1mg3 s GLU 328 Ca 0.09 -1.03 0.11 0.00 0.02 0.00 0.00 54.97 54.16 1mg3 s GLU 328 Cb -0.12 -4.19 1.02 0.00 0.10 0.00 0.00 34.13 30.94 1mg3 s GLU 328 CO 0.01 -1.49 2.07 0.52 0.02 0.00 0.00 175.26 176.40 1mg3 h MET 329 N 9.20 0.26 -0.04 1.61 2.86 -0.54 -3.47 114.93 124.81 1mg3 h MET 329 Ca -0.29 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.32 1mg3 h MET 329 Cb 1.09 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.68 1mg3 h MET 329 CO 1.07 0.21 -0.02 0.41 1.06 0.00 0.00 176.91 179.65 1mg3 n GLY 330 N -1.40 0.48 3.69 8.32 0.00 -1.25 -5.00 105.19 110.02 1mg3 n GLY 330 Ca -0.00 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 1mg3 n GLY 330 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1mg3 s HIS 331 N -1.99 -0.13 -0.69 1.61 3.76 -1.26 -5.10 115.29 111.49 1mg3 s HIS 331 Ca 0.00 -0.26 -0.23 0.00 -0.15 0.00 0.00 55.06 54.42 1mg3 s HIS 331 Cb 0.00 0.54 0.07 0.00 1.11 0.00 0.00 32.58 34.29 1mg3 s HIS 331 CO 0.00 -1.08 1.02 -1.21 -0.85 0.00 0.00 174.74 172.62 1mg3 s GLU 332 N -3.90 3.15 -0.26 1.40 0.41 -1.26 -4.25 118.70 113.99 1mg3 s GLU 332 Ca 0.11 -0.81 -0.10 0.00 -0.41 0.00 0.00 54.97 53.76 1mg3 s GLU 332 Cb -0.03 -4.28 -0.05 0.00 -1.78 0.00 0.00 34.13 27.99 1mg3 s GLU 332 CO 0.03 -1.87 0.16 0.42 -0.49 0.00 0.00 175.26 173.51 1mg3 s ILE 333 N 4.24 5.18 -0.10 -1.63 -1.09 0.00 -4.38 121.20 123.41 1mg3 s ILE 333 Ca 0.25 0.12 0.15 0.00 -2.23 0.00 0.00 60.65 58.94 1mg3 s ILE 333 Cb -0.15 -3.44 -0.20 0.00 -1.58 0.00 0.00 42.46 37.09 1mg3 s ILE 333 CO 0.09 0.30 0.63 0.47 -1.23 0.00 0.00 174.94 175.20 1mg3 n ASP 334 N 4.77 0.71 -3.73 3.58 8.00 0.48 -2.03 116.55 128.32 1mg3 n ASP 334 Ca -0.15 0.32 -0.12 0.00 0.71 0.00 0.00 54.79 55.56 1mg3 n ASP 334 Cb 0.52 0.26 -0.12 0.00 -0.02 0.00 0.00 41.12 41.76 1mg3 n ASP 334 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1mg3 s SER 335 N -5.82 -0.33 0.43 -2.24 0.01 -0.82 0.13 113.70 105.07 1mg3 s SER 335 Ca -0.05 0.61 0.06 0.00 1.31 0.00 0.00 55.95 57.89 1mg3 s SER 335 Cb 0.08 0.51 -0.05 0.00 0.21 0.00 0.00 66.02 66.77 1mg3 s SER 335 CO 0.82 -0.16 0.12 0.27 0.41 0.00 0.00 173.24 174.71 1mg3 s ILE 336 N 1.14 2.06 -0.22 1.44 -4.36 -0.68 0.17 121.20 120.74 1mg3 s ILE 336 Ca -0.08 -1.81 -0.37 0.00 -0.26 0.00 0.00 60.65 58.14 1mg3 s ILE 336 Cb -0.09 -2.86 0.15 0.00 1.25 0.00 0.00 42.46 40.91 1mg3 s ILE 336 CO -0.08 0.00 1.39 0.21 0.24 0.00 0.00 174.94 176.69 1mg3 s ASN 337 N -3.87 -0.02 0.27 4.36 3.84 -0.61 -4.73 114.94 114.18 1mg3 s ASN 337 Ca 0.35 -0.01 0.05 0.00 0.21 0.00 0.00 52.86 53.46 1mg3 s ASN 337 Cb 0.05 0.02 -0.06 0.00 -0.55 0.00 0.00 41.25 40.72 1mg3 s ASN 337 CO 0.19 -0.04 -0.01 0.68 -2.79 0.00 0.00 177.10 175.12 1mg3 s VAL 338 N -2.07 1.32 0.37 -5.21 -7.23 -1.26 0.81 120.40 107.13 1mg3 s VAL 338 Ca 0.13 -2.06 -0.06 0.00 -1.81 0.00 0.00 61.98 58.17 1mg3 s VAL 338 Cb 0.02 -2.48 -0.05 0.00 0.56 0.00 0.00 36.38 34.43 1mg3 s VAL 338 CO -0.04 -0.25 0.67 -0.94 -0.31 0.00 0.00 175.10 174.23 1mg3 s SER 339 N -3.40 6.43 -0.41 4.85 1.04 -0.89 -4.89 113.70 116.42 1mg3 s SER 339 Ca 0.30 0.88 0.06 0.00 0.48 0.00 0.00 55.95 57.67 1mg3 s SER 339 Cb 0.05 -2.22 0.69 0.00 0.10 0.00 0.00 66.02 64.65 1mg3 s SER 339 CO 0.11 -0.34 1.89 0.00 0.98 0.00 0.00 173.24 175.88 1mg3 n GLN 340 N -1.37 2.68 -3.15 4.02 1.13 -1.26 -4.47 117.38 114.95 1mg3 n GLN 340 Ca -0.00 -3.03 -0.20 0.00 -1.94 0.00 0.00 57.00 51.83 1mg3 n GLN 340 Cb 0.54 -2.19 0.04 0.00 0.11 0.00 0.00 30.24 28.74 1mg3 n GLN 340 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 1mg3 s ASP 341 N -1.21 5.14 0.01 1.08 3.84 -1.26 -4.84 116.67 119.42 1mg3 s ASP 341 Ca 0.57 -0.82 -0.01 0.00 -0.00 0.00 0.00 52.55 52.28 1mg3 s ASP 341 Cb 0.47 0.12 -0.00 0.00 -1.38 0.00 0.00 42.92 42.12 1mg3 s ASP 341 CO 0.12 -1.19 0.70 -0.62 -0.00 0.00 0.00 175.17 174.18 1mg3 n GLU 342 N -2.10 -0.02 -3.69 2.11 -0.58 -1.26 -2.78 120.64 112.33 1mg3 n GLU 342 Ca 0.12 0.70 -0.35 0.00 -0.42 0.00 0.00 57.16 57.22 1mg3 n GLU 342 Cb 0.61 -1.05 -0.08 0.00 -0.57 0.00 0.00 31.44 30.36 1mg3 n GLU 342 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1mg3 s LYS 343 N -3.14 3.07 0.72 3.49 1.02 -1.26 -5.03 119.74 118.61 1mg3 s LYS 343 Ca -0.00 -3.22 -0.17 0.00 0.02 0.00 0.00 55.97 52.60 1mg3 s LYS 343 Cb 0.00 -3.84 -0.08 0.00 -0.52 0.00 0.00 37.83 33.39 1mg3 s LYS 343 CO 0.03 -1.26 0.17 -0.35 -0.92 0.00 0.00 175.35 173.02 1mg3 n PRO 344 N 2.38 0.17 -4.18 -1.68 -0.04 -1.12 -4.91 135.00 125.62 1mg3 n PRO 344 Ca 0.20 0.08 -0.35 0.00 -0.04 0.00 0.00 63.50 63.39 1mg3 n PRO 344 Cb 0.37 -1.51 -0.08 0.00 -0.04 0.00 0.00 33.50 32.24 1mg3 n PRO 344 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1mg3 s LEU 345 N 2.23 3.85 -0.35 1.53 2.96 -1.26 -2.75 118.68 124.89 1mg3 s LEU 345 Ca 0.59 0.21 -0.10 0.00 -0.22 0.00 0.00 54.13 54.61 1mg3 s LEU 345 Cb -0.35 -2.02 0.01 0.00 0.50 0.00 0.00 46.19 44.33 1mg3 s LEU 345 CO 0.64 0.35 0.18 -0.22 -1.32 0.00 0.00 176.35 175.98 1mg3 s LEU 346 N -1.20 4.45 -0.09 -0.68 0.20 -0.18 -2.10 118.68 119.08 1mg3 s LEU 346 Ca 0.17 -0.78 -0.19 0.00 0.69 0.00 0.00 54.13 54.02 1mg3 s LEU 346 Cb -0.12 -2.02 -0.04 0.00 -0.43 0.00 0.00 46.19 43.58 1mg3 s LEU 346 CO 0.06 -0.30 0.52 -0.31 -0.29 0.00 0.00 176.35 176.03 1mg3 s TYR 347 N 1.58 3.55 -0.33 5.38 2.02 0.24 -0.42 117.35 129.37 1mg3 s TYR 347 Ca 0.03 0.98 0.01 0.00 -0.37 0.00 0.00 57.07 57.72 1mg3 s TYR 347 Cb -0.18 -2.58 0.10 0.00 -0.40 0.00 0.00 41.96 38.90 1mg3 s TYR 347 CO 0.07 0.20 0.10 0.00 -1.57 0.00 0.00 175.55 174.34 1mg3 s ALA 348 N 0.49 1.90 -0.12 3.71 0.00 0.71 -1.58 121.76 126.88 1mg3 s ALA 348 Ca 0.28 -1.95 -0.20 0.00 0.00 0.00 0.00 51.96 50.09 1mg3 s ALA 348 Cb -0.16 -1.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.20 1mg3 s ALA 348 CO 0.12 -1.70 0.56 -1.17 0.00 0.00 0.00 175.76 173.57 1mg3 s LEU 349 N 1.35 4.26 -0.34 0.00 2.96 0.13 -0.62 118.68 126.40 1mg3 s LEU 349 Ca 0.11 0.91 -0.07 0.00 -0.22 0.00 0.00 54.13 54.86 1mg3 s LEU 349 Cb -0.18 -2.82 0.04 0.00 0.50 0.00 0.00 46.19 43.72 1mg3 s LEU 349 CO -0.19 -0.08 0.12 -0.55 -1.32 0.00 0.00 176.35 174.33 1mg3 s SER 350 N 0.78 5.35 0.20 3.68 0.15 -0.31 -0.39 113.70 123.16 1mg3 s SER 350 Ca 0.29 -1.15 -0.11 0.00 0.70 0.00 0.00 55.95 55.69 1mg3 s SER 350 Cb -0.16 -1.88 0.17 0.00 -1.71 0.00 0.00 66.02 62.44 1mg3 s SER 350 CO 0.12 -0.34 1.83 0.74 1.20 0.00 0.00 173.24 176.80 1mg3 h THR 351 N 6.15 1.06 -0.45 6.45 2.02 -1.79 -0.38 112.91 125.97 1mg3 h THR 351 Ca -0.23 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 66.66 1mg3 h THR 351 Cb 1.08 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1mg3 h THR 351 CO 0.61 0.14 0.17 1.23 0.37 0.00 0.00 175.52 178.03 1mg3 h GLY 352 N 0.76 0.73 1.79 2.16 0.00 -1.89 -2.96 103.07 103.66 1mg3 h GLY 352 Ca 0.26 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1mg3 h GLY 352 CO -0.11 0.39 -0.11 1.22 0.00 0.00 0.00 176.54 177.92 1mg3 n ASP 353 N -4.58 0.19 -3.31 0.19 8.00 -1.11 -4.89 116.55 111.04 1mg3 n ASP 353 Ca 0.01 0.36 -0.24 0.00 0.71 0.00 0.00 54.79 55.63 1mg3 n ASP 353 Cb 0.16 -0.37 0.02 0.00 -0.02 0.00 0.00 41.12 40.91 1mg3 n ASP 353 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1mg3 n LYS 354 N -1.59 -4.42 -4.43 -1.24 4.01 -0.17 -4.57 118.16 105.73 1mg3 n LYS 354 Ca 0.06 0.67 -0.21 0.00 -0.51 0.00 0.00 58.31 58.32 1mg3 n LYS 354 Cb 0.35 -5.48 -0.14 0.00 -0.51 0.00 0.00 35.03 29.26 1mg3 n LYS 354 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1mg3 s THR 355 N -3.09 1.15 -0.25 -0.18 2.01 -1.15 -0.79 115.64 113.35 1mg3 s THR 355 Ca 0.41 -0.93 -0.06 0.00 0.31 0.00 0.00 61.69 61.41 1mg3 s THR 355 Cb -0.20 -1.02 -0.01 0.00 0.01 0.00 0.00 72.50 71.27 1mg3 s THR 355 CO 0.50 0.08 0.04 -0.22 -0.69 0.00 0.00 174.62 174.33 1mg3 s LEU 356 N -0.97 3.37 -0.18 4.42 2.96 0.17 -1.16 118.68 127.28 1mg3 s LEU 356 Ca 0.03 -0.37 -0.12 0.00 -0.22 0.00 0.00 54.13 53.44 1mg3 s LEU 356 Cb -0.07 -1.86 -0.05 0.00 0.50 0.00 0.00 46.19 44.71 1mg3 s LEU 356 CO 0.01 -0.07 0.22 -0.31 -1.32 0.00 0.00 176.35 174.88 1mg3 s TYR 357 N 1.55 3.44 -0.31 5.38 1.51 0.20 -0.70 117.35 128.42 1mg3 s TYR 357 Ca 0.05 0.48 -0.07 0.00 -1.01 0.00 0.00 57.07 56.52 1mg3 s TYR 357 Cb -0.15 -2.26 0.02 0.00 -0.11 0.00 0.00 41.96 39.45 1mg3 s TYR 357 CO 0.01 0.26 0.09 0.42 -1.11 0.00 0.00 175.55 175.22 1mg3 s ILE 358 N 0.44 3.87 0.40 2.71 1.01 0.33 -0.20 121.20 129.75 1mg3 s ILE 358 Ca 0.13 -0.87 0.08 0.00 0.00 0.00 0.00 60.65 59.98 1mg3 s ILE 358 Cb -0.12 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 1mg3 s ILE 358 CO 0.01 -0.02 0.32 -1.00 0.00 0.00 0.00 174.94 174.25 1mg3 s HIS 359 N 1.46 2.73 -0.48 3.97 3.76 0.44 -0.28 115.29 126.89 1mg3 s HIS 359 Ca 0.01 -0.46 -0.21 0.00 -0.15 0.00 0.00 55.06 54.25 1mg3 s HIS 359 Cb -0.18 -2.04 0.04 0.00 1.11 0.00 0.00 32.58 31.50 1mg3 s HIS 359 CO 0.02 0.00 0.69 0.34 -0.85 0.00 0.00 174.74 174.95 1mg3 s ASP 360 N -4.06 6.30 0.51 1.40 2.15 0.97 -1.01 116.67 122.93 1mg3 s ASP 360 Ca 0.45 -0.51 0.31 0.00 0.43 0.00 0.00 52.55 53.24 1mg3 s ASP 360 Cb -0.03 -2.33 1.43 0.00 -0.30 0.00 0.00 42.92 41.69 1mg3 s ASP 360 CO 0.27 -0.89 1.82 0.00 -0.17 0.00 0.00 175.17 176.19 1mg3 h ALA 361 N 8.98 2.84 0.07 3.66 0.00 -1.80 1.43 119.26 134.44 1mg3 h ALA 361 Ca -0.26 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1mg3 h ALA 361 Cb 1.09 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1mg3 h ALA 361 CO 0.95 -1.18 -0.03 1.49 0.00 0.00 0.00 179.25 180.48 1mg3 h GLU 362 N 0.10 -0.09 0.00 0.00 4.57 -1.91 -3.38 114.58 113.87 1mg3 h GLU 362 Ca 0.54 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.72 1mg3 h GLU 362 Cb 1.95 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 30.56 1mg3 h GLU 362 CO -0.08 0.48 -1.33 -1.13 -1.18 0.00 0.00 179.01 175.78 1mg3 n SER 363 N -4.80 0.58 0.00 1.04 3.41 -0.94 -4.96 113.62 107.94 1mg3 n SER 363 Ca -0.08 0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 1mg3 n SER 363 Cb 0.30 0.94 0.00 0.00 -0.26 0.00 0.00 64.21 65.19 1mg3 n SER 363 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mg3 n GLY 364 N 1.21 2.30 3.70 5.00 0.00 0.48 -5.00 105.19 112.89 1mg3 n GLY 364 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1mg3 n GLY 364 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1mg3 n GLU 365 N -2.00 2.22 -2.66 1.61 2.13 -1.25 -4.49 120.64 116.20 1mg3 n GLU 365 Ca 0.00 0.79 -0.43 0.00 0.66 0.00 0.00 57.16 58.18 1mg3 n GLU 365 Cb 0.00 -2.45 -0.02 0.00 0.27 0.00 0.00 31.44 29.24 1mg3 n GLU 365 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1mg3 s GLU 366 N -0.97 4.36 -0.18 5.31 2.12 -1.26 -0.02 118.70 128.06 1mg3 s GLU 366 Ca 0.63 1.40 -0.13 0.00 0.36 0.00 0.00 54.97 57.23 1mg3 s GLU 366 Cb -0.59 -3.58 -0.21 0.00 0.26 0.00 0.00 34.13 30.01 1mg3 s GLU 366 CO 0.54 -0.44 0.18 1.28 -0.54 0.00 0.00 175.26 176.29 1mg3 n LEU 367 N 5.49 2.30 -3.83 2.70 4.32 0.61 -4.93 117.00 123.66 1mg3 n LEU 367 Ca 0.10 0.28 -0.07 0.00 -0.02 0.00 0.00 56.01 56.30 1mg3 n LEU 367 Cb 0.48 -1.01 0.02 0.00 -1.62 0.00 0.00 43.42 41.29 1mg3 n LEU 367 CO 0.52 0.61 0.62 0.00 -1.22 0.00 0.00 177.39 177.92 1mg3 s ARG 368 N -2.47 1.96 0.17 3.23 1.70 -0.92 -5.00 118.95 117.62 1mg3 s ARG 368 Ca -0.28 -1.27 -0.15 0.00 -0.47 0.00 0.00 55.73 53.57 1mg3 s ARG 368 Cb 0.07 0.55 0.02 0.00 -0.57 0.00 0.00 34.95 35.02 1mg3 s ARG 368 CO 0.66 -0.92 0.43 -1.54 -1.08 0.00 0.00 175.30 172.84 1mg3 s SER 369 N -3.18 -0.16 -0.04 -2.89 1.04 -1.26 -0.52 113.70 106.69 1mg3 s SER 369 Ca 0.18 -0.57 -0.00 0.00 0.48 0.00 0.00 55.95 56.04 1mg3 s SER 369 Cb -0.04 0.51 0.03 0.00 0.10 0.00 0.00 66.02 66.62 1mg3 s SER 369 CO 0.10 -0.97 0.00 -0.69 0.98 0.00 0.00 173.24 172.66 1mg3 s VAL 370 N -3.89 0.21 0.41 5.02 1.01 0.12 -4.73 120.40 118.55 1mg3 s VAL 370 Ca 0.10 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.23 1mg3 s VAL 370 Cb 0.01 -0.32 0.04 0.00 0.00 0.00 0.00 36.38 36.10 1mg3 s VAL 370 CO -0.04 0.17 0.30 -0.46 0.00 0.00 0.00 175.10 175.08 1mg3 n ASN 371 N 4.40 2.32 -3.76 3.32 0.23 -1.26 0.42 115.26 120.94 1mg3 n ASN 371 Ca -0.21 -2.42 -0.26 0.00 -0.53 0.00 0.00 54.58 51.16 1mg3 n ASN 371 Cb 0.50 -0.03 0.04 0.00 -2.08 0.00 0.00 39.78 38.22 1mg3 n ASN 371 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1mg3 n GLN 372 N -1.46 -6.00 -2.16 -3.83 6.02 -0.73 -4.88 117.38 104.34 1mg3 n GLN 372 Ca -0.02 0.67 -0.41 0.00 -0.01 0.00 0.00 57.00 57.24 1mg3 n GLN 372 Cb 0.47 -5.53 0.00 0.00 1.02 0.00 0.00 30.24 26.20 1mg3 n GLN 372 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1mg3 n LEU 373 N -4.62 7.74 0.00 1.08 4.32 0.03 -4.98 117.00 120.57 1mg3 n LEU 373 Ca -0.07 -4.94 0.00 0.00 -0.02 0.00 0.00 56.01 50.98 1mg3 n LEU 373 Cb 0.58 -1.35 0.00 0.00 -1.62 0.00 0.00 43.42 41.03 1mg3 n LEU 373 CO 0.70 1.97 0.00 0.61 -1.22 0.00 0.00 177.39 179.45 1mg3 n GLY 374 N 1.59 -1.40 0.04 -0.72 0.00 -1.26 -3.63 105.19 99.81 1mg3 n GLY 374 Ca 0.56 -1.48 0.04 0.00 0.00 0.00 0.00 46.02 45.15 1mg3 n GLY 374 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1mg3 n HIS 375 N 0.00 0.00 -2.71 1.61 8.25 -1.26 -4.78 115.22 116.32 1mg3 n HIS 375 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.38 1mg3 n HIS 375 Cb 0.00 -0.62 0.10 0.00 1.12 0.00 0.00 29.99 30.59 1mg3 n HIS 375 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1mg3 n GLY 376 N 1.51 0.66 3.59 -1.41 0.00 -1.26 -4.89 105.19 103.38 1mg3 n GLY 376 Ca -0.13 0.03 -0.51 0.00 0.00 0.00 0.00 46.02 45.41 1mg3 n GLY 376 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mg3 n PRO 377 N 0.00 1.15 0.00 1.61 -0.04 -1.24 -4.14 135.00 132.35 1mg3 n PRO 377 Ca 0.01 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 1mg3 n PRO 377 Cb 0.75 -2.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 1mg3 n PRO 377 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1mg3 n GLN 378 N 2.26 1.73 -4.87 0.54 6.02 -0.40 -3.91 117.38 118.75 1mg3 n GLN 378 Ca 0.17 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.84 1mg3 n GLN 378 Cb 0.21 -0.71 -0.15 0.00 1.02 0.00 0.00 30.24 30.61 1mg3 n GLN 378 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1mg3 s VAL 379 N -1.42 2.88 -0.19 5.09 1.01 -1.13 -4.61 120.40 122.04 1mg3 s VAL 379 Ca 0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 1mg3 s VAL 379 Cb 0.00 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 1mg3 s VAL 379 CO 0.00 0.54 -0.01 -0.63 0.00 0.00 0.00 175.10 174.99 1mg3 s ILE 380 N 0.22 3.91 0.08 2.22 1.01 -1.26 -0.81 121.20 126.57 1mg3 s ILE 380 Ca -0.10 -0.33 0.08 0.00 0.00 0.00 0.00 60.65 60.30 1mg3 s ILE 380 Cb -0.16 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.53 1mg3 s ILE 380 CO 0.06 0.45 -0.21 -0.89 0.00 0.00 0.00 174.94 174.35 1mg3 s THR 381 N 0.81 1.67 -0.03 2.92 2.01 -0.10 -4.96 115.64 117.96 1mg3 s THR 381 Ca -0.00 -1.38 -0.13 0.00 0.31 0.00 0.00 61.69 60.49 1mg3 s THR 381 Cb -0.14 -1.49 0.02 0.00 0.01 0.00 0.00 72.50 70.90 1mg3 s THR 381 CO 0.02 0.05 0.29 0.42 -0.69 0.00 0.00 174.62 174.71 1mg3 s THR 382 N -1.00 0.05 0.05 -0.82 -4.23 -1.26 -1.08 115.64 107.35 1mg3 s THR 382 Ca 0.07 -0.43 -0.12 0.00 -1.18 0.00 0.00 61.69 60.02 1mg3 s THR 382 Cb -0.09 -0.57 -0.06 0.00 1.34 0.00 0.00 72.50 73.12 1mg3 s THR 382 CO 0.03 -0.24 0.41 0.00 -0.54 0.00 0.00 174.62 174.28 1mg3 s ALA 383 N -1.12 3.71 -1.11 3.99 0.00 -1.26 -4.94 121.76 121.03 1mg3 s ALA 383 Ca -0.12 -0.30 -0.08 0.00 0.00 0.00 0.00 51.96 51.46 1mg3 s ALA 383 Cb -0.05 -2.33 0.28 0.00 0.00 0.00 0.00 23.12 21.02 1mg3 s ALA 383 CO 0.03 0.52 1.18 -3.47 0.00 0.00 0.00 175.76 174.03 1mg3 n ASP 384 N 1.31 5.67 -4.80 0.00 -0.08 -1.19 -4.62 116.55 112.85 1mg3 n ASP 384 Ca -0.11 -3.11 -0.31 0.00 -1.51 0.00 0.00 54.79 49.75 1mg3 n ASP 384 Cb 0.52 -1.36 0.05 0.00 2.34 0.00 0.00 41.12 42.68 1mg3 n ASP 384 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 1mg3 s MET 385 N -1.56 2.81 0.00 -0.67 -1.94 -0.73 -4.57 119.30 112.64 1mg3 s MET 385 Ca 0.31 1.10 0.00 0.00 -1.71 0.00 0.00 55.69 55.39 1mg3 s MET 385 Cb -0.07 -1.97 0.00 0.00 2.01 0.00 0.00 34.83 34.80 1mg3 s MET 385 CO -0.05 -1.20 0.00 0.41 -0.01 0.00 0.00 175.02 174.17