#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 3.49 -0.12 4.31 0.00 -1.26 -5.06 121.76 123.12 1mg3 s ALA 6 Ca 0.00 -1.47 -0.01 0.00 0.00 0.00 0.00 51.96 50.48 1mg3 s ALA 6 Cb 0.00 -2.80 -0.02 0.00 0.00 0.00 0.00 23.12 20.29 1mg3 s ALA 6 CO 0.00 -1.20 -0.08 -1.21 0.00 0.00 0.00 175.76 173.27 1mg3 s GLU 7 N 1.80 3.29 0.33 0.00 2.02 -1.26 -5.00 118.70 119.88 1mg3 s GLU 7 Ca 0.07 -0.58 -0.15 0.00 0.02 0.00 0.00 54.97 54.33 1mg3 s GLU 7 Cb -0.18 -2.72 -0.09 0.00 0.10 0.00 0.00 34.13 31.24 1mg3 s GLU 7 CO 0.11 0.36 0.75 0.95 0.02 0.00 0.00 175.26 177.45 1mg3 s THR 8 N -0.00 4.66 0.32 3.63 -4.23 -1.26 -4.83 115.64 113.93 1mg3 s THR 8 Ca -0.01 0.99 0.10 0.00 -1.18 0.00 0.00 61.69 61.59 1mg3 s THR 8 Cb -0.14 -3.62 0.33 0.00 1.34 0.00 0.00 72.50 70.42 1mg3 s THR 8 CO 0.03 -0.18 1.64 -0.61 -0.54 0.00 0.00 174.62 174.96 1mg3 h GLN 9 N 2.26 0.21 0.77 3.99 4.15 -1.98 0.32 115.11 124.83 1mg3 h GLN 9 Ca -0.48 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 58.89 1mg3 h GLN 9 Cb 1.18 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 28.83 1mg3 h GLN 9 CO 0.65 0.14 -0.37 0.00 -1.93 0.00 0.00 178.83 177.32 1mg3 h ALA 10 N 1.86 -1.03 -0.61 3.38 0.00 -1.90 -0.26 119.26 120.70 1mg3 h ALA 10 Ca 0.68 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 55.47 1mg3 h ALA 10 Cb 1.52 0.40 -0.09 0.00 0.00 0.00 0.00 17.79 19.62 1mg3 h ALA 10 CO -0.67 -1.02 0.09 1.96 0.00 0.00 0.00 179.25 179.61 1mg3 h GLN 11 N -1.15 0.21 -0.50 0.00 4.20 -1.23 0.20 115.11 116.84 1mg3 h GLN 11 Ca -0.11 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.63 1mg3 h GLN 11 Cb 0.81 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.50 1mg3 h GLN 11 CO 0.17 0.14 0.26 1.49 -0.67 0.00 0.00 178.83 180.22 1mg3 h GLU 12 N 0.22 0.49 -0.61 1.46 4.81 -0.38 0.25 114.58 120.82 1mg3 h GLU 12 Ca 0.32 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 1mg3 h GLU 12 Cb 0.49 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 1mg3 h GLU 12 CO -0.44 0.32 0.29 1.15 -0.73 0.00 0.00 179.01 179.60 1mg3 h THR 13 N 0.50 1.21 -0.39 0.32 2.02 0.93 0.71 112.91 118.21 1mg3 h THR 13 Ca 0.22 -0.61 -0.08 0.00 0.77 0.00 0.00 66.41 66.71 1mg3 h THR 13 Cb 0.13 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 1mg3 h THR 13 CO -0.15 0.25 -0.08 1.56 0.37 0.00 0.00 175.52 177.47 1mg3 h GLN 14 N 0.83 0.67 -0.05 6.66 4.20 0.05 -0.71 115.11 126.75 1mg3 h GLN 14 Ca 0.21 -0.20 -0.18 0.00 0.06 0.00 0.00 58.65 58.54 1mg3 h GLN 14 Cb 0.12 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1mg3 h GLN 14 CO -0.03 0.74 -0.76 0.78 -0.67 0.00 0.00 178.83 178.90 1mg3 h GLY 15 N 0.96 0.38 1.56 3.46 0.00 -0.11 -1.13 103.07 108.18 1mg3 h GLY 15 Ca 0.11 -0.56 -0.19 0.00 0.00 0.00 0.00 47.33 46.69 1mg3 h GLY 15 CO 0.03 0.50 -0.75 1.46 0.00 0.00 0.00 176.54 177.78 1mg3 h GLN 16 N 0.23 0.43 -0.17 4.80 4.20 -0.66 -1.82 115.11 122.11 1mg3 h GLN 16 Ca -0.03 -0.36 -0.06 0.00 0.06 0.00 0.00 58.65 58.26 1mg3 h GLN 16 Cb 1.34 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 29.19 1mg3 h GLN 16 CO 0.13 1.00 -0.13 0.00 -0.67 0.00 0.00 178.83 179.16 1mg3 h ALA 17 N 0.90 0.25 -0.12 3.87 0.00 -1.10 -2.01 119.26 121.05 1mg3 h ALA 17 Ca -0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1mg3 h ALA 17 Cb 1.33 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1mg3 h ALA 17 CO 0.13 0.11 -0.06 0.00 0.00 0.00 0.00 179.25 179.42 1mg3 h ALA 18 N 0.65 1.67 0.46 0.00 0.00 -1.19 -0.10 119.26 120.75 1mg3 h ALA 18 Ca 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1mg3 h ALA 18 Cb 0.64 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1mg3 h ALA 18 CO 0.03 0.24 -0.22 0.00 0.00 0.00 0.00 179.25 179.30 1mg3 h ALA 19 N 1.77 -0.62 -0.42 0.00 0.00 -1.03 -0.45 119.26 118.50 1mg3 h ALA 19 Ca 0.04 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1mg3 h ALA 19 Cb 0.23 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1mg3 h ALA 19 CO 0.01 -0.77 0.19 0.00 0.00 0.00 0.00 179.25 178.67 1mg3 h ARG 20 N -0.77 0.37 -0.10 0.00 -0.00 -0.95 0.39 114.38 113.32 1mg3 h ARG 20 Ca -0.06 -0.02 0.04 0.00 -0.50 0.00 0.00 59.98 59.43 1mg3 h ARG 20 Cb 0.55 -0.08 -0.06 0.00 0.00 0.00 0.00 29.97 30.37 1mg3 h ARG 20 CO 0.10 0.24 -0.43 0.00 0.00 0.00 0.00 179.97 179.89 1mg3 h ALA 21 N 1.25 -0.63 0.15 0.04 0.00 -0.90 -1.01 119.26 118.15 1mg3 h ALA 21 Ca 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1mg3 h ALA 21 Cb 0.13 0.79 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1mg3 h ALA 21 CO -0.16 -0.94 -0.07 0.00 0.00 0.00 0.00 179.25 178.08 1mg3 h ALA 22 N 0.05 -0.20 -0.72 0.00 0.00 -0.59 -2.05 119.26 115.75 1mg3 h ALA 22 Ca 0.07 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.08 1mg3 h ALA 22 Cb 0.64 0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.39 1mg3 h ALA 22 CO -0.38 -0.60 0.05 0.00 0.00 0.00 0.00 179.25 178.32 1mg3 h ALA 23 N 0.63 0.79 0.13 0.00 0.00 0.03 -1.59 119.26 119.25 1mg3 h ALA 23 Ca -0.02 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1mg3 h ALA 23 Cb 0.17 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1mg3 h ALA 23 CO 0.03 -0.40 -0.06 0.00 0.00 0.00 0.00 179.25 178.82 1mg3 h ALA 24 N 1.65 -0.17 0.00 0.00 0.00 -1.00 -1.66 119.26 118.08 1mg3 h ALA 24 Ca 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1mg3 h ALA 24 Cb 0.68 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1mg3 h ALA 24 CO -0.59 -0.51 0.15 -0.44 0.00 0.00 0.00 179.25 177.86 1mg3 h ASP 25 N -0.34 0.00 0.00 0.00 3.45 -0.64 -1.36 116.42 117.53 1mg3 h ASP 25 Ca -0.02 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.44 1mg3 h ASP 25 Cb 0.28 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.05 1mg3 h ASP 25 CO 0.03 0.00 -0.11 0.25 -1.57 0.00 0.00 179.24 177.84 1mg3 h LEU 26 N 0.00 0.00 -0.02 1.55 6.46 -0.74 1.12 115.31 123.68 1mg3 h LEU 26 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1mg3 h LEU 26 Cb 0.30 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.23 1mg3 h LEU 26 CO 0.00 0.30 0.16 0.00 -0.62 0.00 0.00 178.44 178.28 1mg3 n ALA 27 N -2.63 0.69 0.40 1.25 0.00 -0.68 0.14 120.51 119.69 1mg3 n ALA 27 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.48 1mg3 n ALA 27 Cb 0.06 -0.69 0.04 0.00 0.00 0.00 0.00 19.45 18.86 1mg3 n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mg3 n ALA 28 N -1.35 2.48 -2.96 0.00 0.00 -0.54 -5.03 120.51 113.10 1mg3 n ALA 28 Ca -0.00 -0.59 -0.12 0.00 0.00 0.00 0.00 53.44 52.73 1mg3 n ALA 28 Cb 0.16 -0.34 0.05 0.00 0.00 0.00 0.00 19.45 19.32 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 0.56 0.04 3.33 0.00 0.00 0.38 -5.02 105.19 104.49 1mg3 n GLY 29 Ca 0.06 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 -5.24 2.80 -0.01 1.61 -1.52 0.38 -5.01 119.66 112.67 1mg3 s GLN 30 Ca 0.16 -1.42 -0.36 0.00 -1.95 0.00 0.00 55.36 51.79 1mg3 s GLN 30 Cb -0.07 -3.98 -0.15 0.00 -0.22 0.00 0.00 33.01 28.60 1mg3 s GLN 30 CO 0.41 -1.01 1.62 -0.25 -0.25 0.00 0.00 175.29 175.81 1mg3 n ASP 31 N 5.07 2.61 -4.64 5.90 9.92 -1.26 -4.71 116.55 129.44 1mg3 n ASP 31 Ca -0.11 1.07 -0.43 0.00 -0.53 0.00 0.00 54.79 54.79 1mg3 n ASP 31 Cb 0.43 -1.28 -0.02 0.00 -0.64 0.00 0.00 41.12 39.60 1mg3 n ASP 31 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1mg3 s ASP 32 N 2.09 6.52 -0.59 -2.24 -0.00 -1.26 -4.95 116.67 116.23 1mg3 s ASP 32 Ca 0.88 1.66 0.04 0.00 -0.00 0.00 0.00 52.55 55.13 1mg3 s ASP 32 Cb -0.85 -2.53 0.16 0.00 -0.00 0.00 0.00 42.92 39.70 1mg3 s ASP 32 CO 0.50 -1.14 0.39 -1.61 -0.00 0.00 0.00 175.17 173.31 1mg3 s GLU 33 N 4.40 1.98 0.41 8.23 2.02 -1.26 -5.10 118.70 129.37 1mg3 s GLU 33 Ca 0.68 -2.85 -0.23 0.00 0.02 0.00 0.00 54.97 52.60 1mg3 s GLU 33 Cb -0.25 -2.95 -0.13 0.00 0.10 0.00 0.00 34.13 30.91 1mg3 s GLU 33 CO 0.27 -1.25 0.56 -2.30 0.02 0.00 0.00 175.26 172.55 1mg3 n PRO 34 N 2.52 0.58 -3.83 0.39 -0.02 -1.26 -5.02 135.00 128.37 1mg3 n PRO 34 Ca 0.17 0.21 -0.07 0.00 -2.02 0.00 0.00 63.50 61.80 1mg3 n PRO 34 Cb 0.36 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 1mg3 n PRO 34 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1mg3 s ARG 35 N -1.55 1.80 -0.28 -0.52 1.70 -1.26 -5.14 118.95 113.69 1mg3 s ARG 35 Ca 0.63 -1.09 -0.15 0.00 -0.47 0.00 0.00 55.73 54.65 1mg3 s ARG 35 Cb -0.62 0.55 -0.03 0.00 -0.57 0.00 0.00 34.95 34.28 1mg3 s ARG 35 CO 0.58 -0.83 0.39 0.42 -1.08 0.00 0.00 175.30 174.78 1mg3 s ILE 36 N -2.95 5.15 1.09 4.99 1.01 -1.26 -5.07 121.20 124.16 1mg3 s ILE 36 Ca 0.14 0.51 -0.14 0.00 0.00 0.00 0.00 60.65 61.17 1mg3 s ILE 36 Cb -0.04 -3.74 0.24 0.00 0.01 0.00 0.00 42.46 38.92 1mg3 s ILE 36 CO 0.08 0.09 1.07 -0.76 0.00 0.00 0.00 174.94 175.42 1mg3 s LEU 37 N 2.11 1.14 0.04 2.97 1.02 -1.26 -5.09 118.68 119.61 1mg3 s LEU 37 Ca 0.15 1.15 0.05 0.00 0.02 0.00 0.00 54.13 55.50 1mg3 s LEU 37 Cb -0.16 -3.16 -0.02 0.00 0.02 0.00 0.00 46.19 42.87 1mg3 s LEU 37 CO 0.10 -3.64 -0.14 -1.61 0.02 0.00 0.00 176.35 171.09 1mg3 s GLU 38 N -4.91 0.90 0.20 1.70 2.02 -1.26 -4.98 118.70 112.36 1mg3 s GLU 38 Ca 0.67 -0.79 -0.26 0.00 0.02 0.00 0.00 54.97 54.61 1mg3 s GLU 38 Cb -0.19 -0.90 -0.08 0.00 0.10 0.00 0.00 34.13 33.06 1mg3 s GLU 38 CO 0.59 0.22 0.82 0.00 0.02 0.00 0.00 175.26 176.91 1mg3 s ALA 39 N -0.94 3.40 0.47 5.21 0.00 0.12 -5.00 121.76 125.03 1mg3 s ALA 39 Ca 0.01 0.42 -0.22 0.00 0.00 0.00 0.00 51.96 52.17 1mg3 s ALA 39 Cb -0.08 -3.02 -0.09 0.00 0.00 0.00 0.00 23.12 19.92 1mg3 s ALA 39 CO 0.01 0.27 0.87 -0.35 0.00 0.00 0.00 175.76 176.56 1mg3 n PRO 40 N 1.42 1.04 -1.55 0.00 -0.04 -1.26 -4.70 135.00 129.92 1mg3 n PRO 40 Ca -0.04 0.38 -0.47 0.00 -0.04 0.00 0.00 63.50 63.33 1mg3 n PRO 40 Cb 0.49 -1.94 -0.03 0.00 -0.04 0.00 0.00 33.50 31.97 1mg3 n PRO 40 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mg3 n ALA 41 N -0.93 -1.00 -1.78 0.55 0.00 -1.26 -4.84 120.51 111.25 1mg3 n ALA 41 Ca 0.11 0.43 -0.41 0.00 0.00 0.00 0.00 53.44 53.57 1mg3 n ALA 41 Cb 0.42 -1.94 -0.00 0.00 0.00 0.00 0.00 19.45 17.93 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 -1.04 4.11 0.20 0.00 0.04 -1.26 -5.00 135.00 132.05 1mg3 s PRO 42 Ca 0.65 2.57 0.04 0.00 0.04 0.00 0.00 61.00 64.30 1mg3 s PRO 42 Cb -0.81 -2.98 -0.01 0.00 0.04 0.00 0.00 34.50 30.74 1mg3 s PRO 42 CO 0.57 -0.55 0.13 -0.40 0.04 0.00 0.00 177.00 176.79 1mg3 n ASP 43 N 0.77 0.04 0.04 6.66 5.68 -1.26 -5.01 116.55 123.47 1mg3 n ASP 43 Ca 0.02 -2.22 0.01 0.00 -0.50 0.00 0.00 54.79 52.11 1mg3 n ASP 43 Cb 0.39 0.83 0.34 0.00 -1.14 0.00 0.00 41.12 41.53 1mg3 n ASP 43 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1mg3 h ALA 44 N 1.53 1.44 -0.01 2.12 0.00 -1.94 -2.48 119.26 119.92 1mg3 h ALA 44 Ca -0.14 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1mg3 h ALA 44 Cb 0.67 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1mg3 h ALA 44 CO 0.22 0.39 0.00 0.54 0.00 0.00 0.00 179.25 180.40 1mg3 n ARG 45 N -4.29 1.15 -2.43 0.00 5.12 -1.26 -4.58 116.66 110.37 1mg3 n ARG 45 Ca 0.01 -0.22 -0.41 0.00 -1.93 0.00 0.00 57.85 55.29 1mg3 n ARG 45 Cb 0.24 -1.47 -0.03 0.00 -1.16 0.00 0.00 32.46 30.04 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 -1.99 4.50 0.00 5.56 3.52 -0.93 0.02 118.95 129.62 1mg3 s ARG 46 Ca 0.43 1.79 0.03 0.00 -0.13 0.00 0.00 55.73 57.85 1mg3 s ARG 46 Cb 0.21 -3.29 -0.01 0.00 -1.56 0.00 0.00 34.95 30.30 1mg3 s ARG 46 CO 0.34 -0.11 -0.08 0.54 -0.81 0.00 0.00 175.30 175.18 1mg3 s VAL 47 N 0.30 0.63 -0.15 7.11 0.11 0.30 -4.56 120.40 124.15 1mg3 s VAL 47 Ca 0.54 -0.45 -0.04 0.00 -2.93 0.00 0.00 61.98 59.10 1mg3 s VAL 47 Cb -0.31 -0.55 -0.03 0.00 -1.53 0.00 0.00 36.38 33.96 1mg3 s VAL 47 CO 0.33 0.10 -0.03 -0.31 -3.33 0.00 0.00 175.10 171.87 1mg3 s TYR 48 N -0.35 3.05 -0.16 1.54 1.51 0.10 0.20 117.35 123.24 1mg3 s TYR 48 Ca 0.02 -0.20 0.02 0.00 -1.01 0.00 0.00 57.07 55.89 1mg3 s TYR 48 Cb -0.04 -1.94 0.02 0.00 -0.11 0.00 0.00 41.96 39.89 1mg3 s TYR 48 CO -0.00 0.05 -0.21 0.08 -1.11 0.00 0.00 175.55 174.37 1mg3 s VAL 49 N 0.18 2.08 -0.15 0.71 1.01 -0.37 -0.46 120.40 123.40 1mg3 s VAL 49 Ca -0.01 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 60.97 1mg3 s VAL 49 Cb -0.14 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 1mg3 s VAL 49 CO 0.03 0.54 0.02 0.20 0.00 0.00 0.00 175.10 175.89 1mg3 s ASN 50 N 1.10 5.29 -0.49 3.32 -0.87 0.47 0.03 114.94 123.80 1mg3 s ASN 50 Ca 0.00 0.04 -0.06 0.00 -1.57 0.00 0.00 52.86 51.27 1mg3 s ASN 50 Cb -0.14 -1.80 0.13 0.00 -0.02 0.00 0.00 41.25 39.42 1mg3 s ASN 50 CO -0.09 0.23 0.34 -0.62 -2.57 0.00 0.00 177.10 174.39 1mg3 s ASP 51 N 0.03 5.54 0.00 -1.22 2.15 -0.39 -1.55 116.67 121.22 1mg3 s ASP 51 Ca 0.03 -2.14 0.11 0.00 0.43 0.00 0.00 52.55 50.98 1mg3 s ASP 51 Cb -0.13 -1.94 0.65 0.00 -0.30 0.00 0.00 42.92 41.20 1mg3 s ASP 51 CO 0.02 -0.59 1.15 -2.65 -0.17 0.00 0.00 175.17 172.93 1mg3 n PRO 52 N 4.53 0.30 -4.38 4.34 -0.02 -1.25 -3.64 135.00 134.89 1mg3 n PRO 52 Ca -0.02 0.05 -0.35 0.00 -2.02 0.00 0.00 63.50 61.15 1mg3 n PRO 52 Cb 0.41 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 32.30 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 -1.08 -1.72 -4.00 3.55 0.00 -1.26 -0.36 120.51 115.64 1mg3 n ALA 53 Ca 0.08 -0.33 -0.31 0.00 0.00 0.00 0.00 53.44 52.87 1mg3 n ALA 53 Cb 0.05 -1.46 0.01 0.00 0.00 0.00 0.00 19.45 18.05 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 -4.40 -2.04 -3.38 0.00 8.25 -1.26 -1.80 115.22 110.59 1mg3 n HIS 54 Ca -0.17 0.85 -0.19 0.00 -0.26 0.00 0.00 57.72 57.95 1mg3 n HIS 54 Cb 0.61 -3.66 0.06 0.00 1.12 0.00 0.00 29.99 28.12 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 -4.54 -1.08 -1.57 -1.41 0.00 0.51 -5.02 120.51 107.39 1mg3 n ALA 55 Ca -0.00 0.31 -0.30 0.00 0.00 0.00 0.00 53.44 53.45 1mg3 n ALA 55 Cb 0.54 -4.46 0.21 0.00 0.00 0.00 0.00 19.45 15.74 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 -3.26 1.53 0.15 0.00 0.00 -0.75 -4.95 121.76 114.49 1mg3 s ALA 56 Ca 0.45 -1.12 0.07 0.00 0.00 0.00 0.00 51.96 51.36 1mg3 s ALA 56 Cb -0.20 -2.81 -0.10 0.00 0.00 0.00 0.00 23.12 20.01 1mg3 s ALA 56 CO 0.59 -2.96 1.34 0.00 0.00 0.00 0.00 175.76 174.73 1mg3 h ALA 57 N -2.07 0.47 -4.48 0.00 0.00 -1.91 -3.40 119.26 107.87 1mg3 h ALA 57 Ca -0.44 -0.84 -0.68 0.00 0.00 0.00 0.00 54.91 52.94 1mg3 h ALA 57 Cb 1.26 -0.14 -0.29 0.00 0.00 0.00 0.00 17.79 18.62 1mg3 h ALA 57 CO 0.35 1.14 -0.88 0.14 0.00 0.00 0.00 179.25 180.00 1mg3 s VAL 58 N -2.89 2.02 0.36 0.00 -7.23 -1.26 -2.53 120.40 108.87 1mg3 s VAL 58 Ca 0.00 -1.17 0.04 0.00 -1.81 0.00 0.00 61.98 59.04 1mg3 s VAL 58 Cb 0.10 -1.69 -0.05 0.00 0.56 0.00 0.00 36.38 35.30 1mg3 s VAL 58 CO 0.81 0.49 0.07 0.42 -0.31 0.00 0.00 175.10 176.58 1mg3 s THR 59 N -0.66 1.11 0.00 5.32 -4.23 -0.23 -4.87 115.64 112.08 1mg3 s THR 59 Ca 0.10 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.57 1mg3 s THR 59 Cb -0.10 -2.67 -0.00 0.00 1.34 0.00 0.00 72.50 71.06 1mg3 s THR 59 CO 0.00 0.00 0.08 -1.10 -0.54 0.00 0.00 174.62 173.06 1mg3 s GLN 60 N -3.84 0.38 -0.04 3.99 -0.21 -1.24 -0.76 119.66 117.94 1mg3 s GLN 60 Ca 0.32 -0.40 0.05 0.00 0.02 0.00 0.00 55.36 55.35 1mg3 s GLN 60 Cb 0.07 0.15 -0.01 0.00 1.00 0.00 0.00 33.01 34.22 1mg3 s GLN 60 CO 0.15 -0.08 -0.20 -1.14 -2.12 0.00 0.00 175.29 171.89 1mg3 s GLN 61 N -1.23 1.95 -0.12 2.91 0.74 0.19 -1.26 119.66 122.84 1mg3 s GLN 61 Ca -0.13 -0.73 -0.02 0.00 0.05 0.00 0.00 55.36 54.53 1mg3 s GLN 61 Cb -0.08 -1.74 -0.03 0.00 1.10 0.00 0.00 33.01 32.27 1mg3 s GLN 61 CO 0.01 0.35 -0.05 -0.06 -0.55 0.00 0.00 175.29 174.98 1mg3 s PHE 62 N -0.19 2.99 -0.27 1.67 0.40 0.10 -0.80 117.98 121.88 1mg3 s PHE 62 Ca 0.00 -0.17 -0.11 0.00 -0.60 0.00 0.00 56.93 56.05 1mg3 s PHE 62 Cb -0.11 -1.85 -0.05 0.00 0.51 0.00 0.00 43.02 41.52 1mg3 s PHE 62 CO 0.02 0.12 0.21 0.08 0.70 0.00 0.00 175.22 176.35 1mg3 s VAL 63 N -0.15 5.30 0.02 -0.44 1.01 0.56 -1.24 120.40 125.47 1mg3 s VAL 63 Ca 0.02 0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.30 1mg3 s VAL 63 Cb -0.13 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 1mg3 s VAL 63 CO 0.03 0.25 -0.21 -0.63 0.00 0.00 0.00 175.10 174.53 1mg3 s ILE 64 N 1.72 1.69 -0.60 2.22 1.01 0.13 -0.76 121.20 126.61 1mg3 s ILE 64 Ca 0.08 -1.11 -0.20 0.00 0.00 0.00 0.00 60.65 59.43 1mg3 s ILE 64 Cb -0.16 -1.45 0.09 0.00 0.01 0.00 0.00 42.46 40.96 1mg3 s ILE 64 CO 0.10 0.31 0.75 -0.62 0.00 0.00 0.00 174.94 175.48 1mg3 s ASP 65 N -0.94 6.18 0.53 3.58 3.68 -0.51 0.11 116.67 129.30 1mg3 s ASP 65 Ca 0.08 -1.30 0.21 0.00 2.13 0.00 0.00 52.55 53.67 1mg3 s ASP 65 Cb -0.09 -2.33 1.37 0.00 -1.45 0.00 0.00 42.92 40.43 1mg3 s ASP 65 CO 0.01 -1.16 2.10 1.23 0.13 0.00 0.00 175.17 177.48 1mg3 h GLY 66 N 10.24 0.00 0.87 2.66 0.00 -0.71 0.26 103.07 116.38 1mg3 h GLY 66 Ca -0.29 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1mg3 h GLY 66 CO 1.11 0.00 0.06 -2.09 0.00 0.00 0.00 176.54 175.61 1mg3 h GLU 67 N 0.00 0.39 0.00 4.80 4.57 -1.91 -3.28 114.58 119.15 1mg3 h GLU 67 Ca 0.09 -0.10 -0.22 0.00 -1.18 0.00 0.00 59.36 57.95 1mg3 h GLU 67 Cb 0.36 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.87 1mg3 h GLU 67 CO -0.00 0.50 -1.55 0.00 -1.18 0.00 0.00 179.01 176.78 1mg3 n ALA 68 N -2.30 1.77 -2.40 2.92 0.00 -1.02 -4.98 120.51 114.49 1mg3 n ALA 68 Ca -0.03 -0.64 -0.02 0.00 0.00 0.00 0.00 53.44 52.74 1mg3 n ALA 68 Cb 0.18 -0.90 0.01 0.00 0.00 0.00 0.00 19.45 18.74 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 1.46 0.60 3.18 0.00 0.00 0.88 -4.87 105.19 106.43 1mg3 n GLY 69 Ca -0.13 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.16 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 -4.69 1.17 -0.24 1.61 3.52 -1.16 -4.62 118.95 114.54 1mg3 s ARG 70 Ca 0.03 -0.77 -0.24 0.00 -0.13 0.00 0.00 55.73 54.63 1mg3 s ARG 70 Cb -0.01 -1.21 -0.01 0.00 -1.56 0.00 0.00 34.95 32.16 1mg3 s ARG 70 CO 0.08 0.31 0.80 0.08 -0.81 0.00 0.00 175.30 175.76 1mg3 s VAL 71 N -0.70 4.86 -2.56 7.11 1.01 -1.26 -1.43 120.40 127.43 1mg3 s VAL 71 Ca 0.05 1.51 0.21 0.00 0.00 0.00 0.00 61.98 63.74 1mg3 s VAL 71 Cb -0.08 -4.09 0.16 0.00 0.00 0.00 0.00 36.38 32.37 1mg3 s VAL 71 CO 0.01 -0.06 1.15 2.30 0.00 0.00 0.00 175.10 178.50 1mg3 n ILE 72 N 5.24 0.00 0.00 2.22 -5.35 0.06 -4.97 119.36 116.56 1mg3 n ILE 72 Ca 0.05 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 62.03 1mg3 n ILE 72 Cb 0.48 1.42 0.00 0.00 -1.74 0.00 0.00 39.64 39.80 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 1.17 0.23 3.29 3.28 0.00 -1.11 -4.66 105.19 107.39 1mg3 n GLY 73 Ca 0.12 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 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 0.99 -0.09 1.61 -1.94 -1.26 -0.32 119.30 116.29 1mg3 s MET 74 Ca 0.00 -0.74 -0.04 0.00 -1.71 0.00 0.00 55.69 53.20 1mg3 s MET 74 Cb 0.00 0.43 0.05 0.00 2.01 0.00 0.00 34.83 37.32 1mg3 s MET 74 CO 0.00 -0.37 0.18 0.42 -0.01 0.00 0.00 175.02 175.24 1mg3 s ILE 75 N -3.68 -0.20 0.67 2.53 1.01 0.02 -4.94 121.20 116.60 1mg3 s ILE 75 Ca 0.03 0.27 -0.11 0.00 0.00 0.00 0.00 60.65 60.84 1mg3 s ILE 75 Cb 0.02 -0.31 -0.01 0.00 0.01 0.00 0.00 42.46 42.17 1mg3 s ILE 75 CO -0.11 0.11 1.05 -1.81 0.00 0.00 0.00 174.94 174.18 1mg3 s ASP 76 N 1.87 5.67 0.23 3.58 1.01 -1.26 -0.64 116.67 127.13 1mg3 s ASP 76 Ca -0.02 1.56 -0.11 0.00 0.71 0.00 0.00 52.55 54.68 1mg3 s ASP 76 Cb -0.12 -2.49 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 1mg3 s ASP 76 CO -0.07 -1.25 0.41 -0.83 0.21 0.00 0.00 175.17 173.65 1mg3 s GLY 77 N -3.90 0.61 0.00 0.21 0.00 0.06 -4.87 107.32 99.43 1mg3 s GLY 77 Ca 0.57 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 44.34 1mg3 s GLY 77 CO 0.54 -0.73 0.00 0.61 0.00 0.00 0.00 173.10 173.52 1mg3 n GLY 78 N -0.35 1.23 3.63 0.20 0.00 -1.26 -1.07 105.19 107.59 1mg3 n GLY 78 Ca -0.02 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 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 1.92 3.25 -1.61 1.61 5.36 0.84 -2.89 117.98 126.46 1mg3 s PHE 79 Ca 0.00 1.09 -0.14 0.00 -0.96 0.00 0.00 56.93 56.92 1mg3 s PHE 79 Cb 0.00 -3.25 0.11 0.00 -0.34 0.00 0.00 43.02 39.55 1mg3 s PHE 79 CO 0.00 -0.53 0.76 1.28 -1.46 0.00 0.00 175.22 175.27 1mg3 n LEU 80 N 6.26 -2.01 -4.75 6.12 4.32 -1.26 -4.04 117.00 121.64 1mg3 n LEU 80 Ca 0.07 -0.96 -0.38 0.00 -0.02 0.00 0.00 56.01 54.72 1mg3 n LEU 80 Cb 0.47 -2.23 0.04 0.00 -1.62 0.00 0.00 43.42 40.08 1mg3 n LEU 80 CO 0.51 0.36 0.95 -2.16 -1.22 0.00 0.00 177.39 175.83 1mg3 s PRO 81 N -6.78 3.17 -0.32 3.23 0.04 -1.26 -4.84 135.00 128.24 1mg3 s PRO 81 Ca 0.58 2.15 -0.11 0.00 0.04 0.00 0.00 61.00 63.66 1mg3 s PRO 81 Cb -0.31 -2.23 -0.02 0.00 0.04 0.00 0.00 34.50 31.98 1mg3 s PRO 81 CO 0.90 -1.14 0.19 -0.80 0.04 0.00 0.00 177.00 176.19 1mg3 s ASN 82 N -1.06 5.80 0.32 6.66 0.01 -0.36 -4.92 114.94 121.39 1mg3 s ASN 82 Ca 0.72 -0.41 -0.07 0.00 -0.71 0.00 0.00 52.86 52.38 1mg3 s ASN 82 Cb -0.38 -2.07 -0.06 0.00 0.41 0.00 0.00 41.25 39.15 1mg3 s ASN 82 CO 0.45 -0.19 0.63 -2.16 -1.51 0.00 0.00 177.10 174.32 1mg3 s PRO 83 N 1.68 3.71 0.05 -0.60 0.04 -1.26 -1.21 135.00 137.40 1mg3 s PRO 83 Ca 0.06 0.20 -0.04 0.00 0.04 0.00 0.00 61.00 61.25 1mg3 s PRO 83 Cb -0.17 -2.56 -0.02 0.00 0.04 0.00 0.00 34.50 31.79 1mg3 s PRO 83 CO 0.08 0.14 0.06 0.14 0.04 0.00 0.00 177.00 177.47 1mg3 s VAL 84 N -2.15 0.16 -0.06 -0.36 -7.23 0.47 -4.95 120.40 106.28 1mg3 s VAL 84 Ca 0.47 -1.31 -0.02 0.00 -1.81 0.00 0.00 61.98 59.31 1mg3 s VAL 84 Cb -0.11 -1.11 0.04 0.00 0.56 0.00 0.00 36.38 35.77 1mg3 s VAL 84 CO 0.29 -0.72 0.12 -0.69 -0.31 0.00 0.00 175.10 173.79 1mg3 s VAL 85 N -3.12 -0.12 0.34 1.32 1.01 -1.26 -2.14 120.40 116.43 1mg3 s VAL 85 Ca -0.01 0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.96 1mg3 s VAL 85 Cb 0.02 -0.22 -0.10 0.00 0.00 0.00 0.00 36.38 36.08 1mg3 s VAL 85 CO -0.07 0.11 1.38 0.00 0.00 0.00 0.00 175.10 176.52 1mg3 s ALA 86 N 1.60 3.53 0.30 5.51 0.00 -0.32 -4.90 121.76 127.48 1mg3 s ALA 86 Ca -0.04 1.37 0.06 0.00 0.00 0.00 0.00 51.96 53.35 1mg3 s ALA 86 Cb -0.12 -3.53 0.47 0.00 0.00 0.00 0.00 23.12 19.95 1mg3 s ALA 86 CO -0.05 -0.78 1.72 -0.44 0.00 0.00 0.00 175.76 176.21 1mg3 h ASP 87 N 3.42 0.29 0.09 0.00 3.32 -1.88 -2.44 116.42 119.22 1mg3 h ASP 87 Ca -0.49 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.45 1mg3 h ASP 87 Cb 1.23 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1mg3 h ASP 87 CO 0.66 0.64 -0.01 -0.90 -1.72 0.00 0.00 179.24 177.91 1mg3 n ASP 88 N -4.07 0.21 -0.30 6.45 5.68 -1.26 -2.36 116.55 120.90 1mg3 n ASP 88 Ca -0.01 -0.93 -0.04 0.00 -0.50 0.00 0.00 54.79 53.30 1mg3 n ASP 88 Cb 0.45 -0.04 -0.02 0.00 -1.14 0.00 0.00 41.12 40.37 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 1.07 0.66 0.21 6.12 0.00 -0.92 -4.90 105.19 107.44 1mg3 n GLY 89 Ca 0.22 -0.38 0.14 0.00 0.00 0.00 0.00 46.02 46.00 1mg3 n GLY 89 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1mg3 h SER 90 N 0.00 0.00 -5.28 1.61 4.64 -1.91 -3.45 113.55 109.16 1mg3 h SER 90 Ca -0.08 0.00 0.31 0.00 -0.47 0.00 0.00 61.79 61.55 1mg3 h SER 90 Cb 0.43 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.37 1mg3 h SER 90 CO 0.12 0.00 0.85 0.72 -0.87 0.00 0.00 176.83 177.65 1mg3 s PHE 91 N -3.37 -0.06 0.21 4.77 -0.12 -1.26 -4.49 117.98 113.66 1mg3 s PHE 91 Ca 0.05 -0.01 0.03 0.00 -0.05 0.00 0.00 56.93 56.94 1mg3 s PHE 91 Cb 0.08 0.53 -0.05 0.00 -0.63 0.00 0.00 43.02 42.95 1mg3 s PHE 91 CO 0.57 -0.22 0.00 0.96 -0.05 0.00 0.00 175.22 176.49 1mg3 s ILE 92 N -2.36 0.91 0.09 -4.49 -4.36 -1.08 -1.18 121.20 108.73 1mg3 s ILE 92 Ca 0.13 -2.02 -0.27 0.00 -0.26 0.00 0.00 60.65 58.23 1mg3 s ILE 92 Cb 0.03 -2.28 0.08 0.00 1.25 0.00 0.00 42.46 41.54 1mg3 s ILE 92 CO -0.04 -0.36 1.03 0.00 0.24 0.00 0.00 174.94 175.81 1mg3 s ALA 93 N -3.50 -1.81 0.17 2.27 0.00 -0.91 -0.80 121.76 117.17 1mg3 s ALA 93 Ca 0.27 0.39 -0.15 0.00 0.00 0.00 0.00 51.96 52.47 1mg3 s ALA 93 Cb 0.06 0.53 0.02 0.00 0.00 0.00 0.00 23.12 23.73 1mg3 s ALA 93 CO 0.07 -1.00 0.42 -3.38 0.00 0.00 0.00 175.76 171.88 1mg3 s HIS 94 N -3.05 0.01 -0.30 0.00 -3.43 -0.75 -0.40 115.29 107.37 1mg3 s HIS 94 Ca 0.12 -0.35 -0.05 0.00 -0.80 0.00 0.00 55.06 53.98 1mg3 s HIS 94 Cb 0.00 0.23 0.03 0.00 -1.43 0.00 0.00 32.58 31.42 1mg3 s HIS 94 CO -0.00 -0.81 0.05 0.00 -2.00 0.00 0.00 174.74 171.98 1mg3 s ALA 95 N -3.88 2.94 0.40 -1.38 0.00 -0.35 -1.38 121.76 118.12 1mg3 s ALA 95 Ca 0.10 -1.63 0.07 0.00 0.00 0.00 0.00 51.96 50.50 1mg3 s ALA 95 Cb 0.01 -2.07 -0.07 0.00 0.00 0.00 0.00 23.12 20.98 1mg3 s ALA 95 CO -0.04 -1.13 0.04 0.45 0.00 0.00 0.00 175.76 175.08 1mg3 s SER 96 N 1.38 4.02 -0.02 0.00 0.15 0.10 -1.22 113.70 118.10 1mg3 s SER 96 Ca -0.01 -1.26 0.01 0.00 0.70 0.00 0.00 55.95 55.38 1mg3 s SER 96 Cb -0.18 -0.42 0.02 0.00 -1.71 0.00 0.00 66.02 63.72 1mg3 s SER 96 CO 0.01 -0.44 -0.01 -0.89 1.20 0.00 0.00 173.24 173.11 1mg3 s THR 97 N -2.66 0.21 0.31 6.45 2.01 -1.26 -0.85 115.64 119.85 1mg3 s THR 97 Ca 0.36 0.03 0.03 0.00 0.31 0.00 0.00 61.69 62.42 1mg3 s THR 97 Cb 0.07 -0.27 -0.06 0.00 0.01 0.00 0.00 72.50 72.25 1mg3 s THR 97 CO 0.19 0.13 0.06 0.68 -0.69 0.00 0.00 174.62 174.99 1mg3 s VAL 98 N 0.77 1.06 0.07 3.82 -7.23 -0.03 -0.11 120.40 118.75 1mg3 s VAL 98 Ca -0.08 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.11 1mg3 s VAL 98 Cb -0.11 -2.74 -0.03 0.00 0.56 0.00 0.00 36.38 34.06 1mg3 s VAL 98 CO -0.01 -0.02 -0.08 -0.36 -0.31 0.00 0.00 175.10 174.32 1mg3 s PHE 99 N -3.39 0.83 0.29 2.82 0.08 -1.26 -1.23 117.98 116.12 1mg3 s PHE 99 Ca 0.36 -0.69 0.03 0.00 0.12 0.00 0.00 56.93 56.75 1mg3 s PHE 99 Cb 0.08 -0.48 0.44 0.00 -0.57 0.00 0.00 43.02 42.49 1mg3 s PHE 99 CO 0.15 -0.09 1.74 0.66 -0.10 0.00 0.00 175.22 177.58 1mg3 h SER 100 N 3.72 0.48 -2.53 1.36 4.64 -1.35 -3.34 113.55 116.54 1mg3 h SER 100 Ca -0.36 -0.15 -0.60 0.00 -0.47 0.00 0.00 61.79 60.21 1mg3 h SER 100 Cb 1.18 -0.13 -0.41 0.00 -0.31 0.00 0.00 62.40 62.74 1mg3 h SER 100 CO 0.52 0.71 -0.73 0.54 -0.87 0.00 0.00 176.83 177.00 1mg3 n ARG 101 N -4.14 1.59 0.00 4.77 5.12 -0.14 -5.02 116.66 118.83 1mg3 n ARG 101 Ca -0.00 -4.12 0.00 0.00 -1.93 0.00 0.00 57.85 51.79 1mg3 n ARG 101 Cb 0.38 -2.01 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 1.70 0.00 -0.70 0.55 -0.00 -1.26 -1.53 119.36 118.13 1mg3 n ILE 102 Ca 0.25 0.00 0.04 0.00 -0.00 0.00 0.00 62.75 63.03 1mg3 n ILE 102 Cb 0.42 0.00 0.05 0.00 -0.00 0.00 0.00 39.64 40.11 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 3.57 1.97 -2.30 -1.39 0.00 -1.26 -4.26 120.51 116.84 1mg3 n ALA 103 Ca 0.00 -1.51 -0.12 0.00 0.00 0.00 0.00 53.44 51.81 1mg3 n ALA 103 Cb 0.00 -0.18 -0.10 0.00 0.00 0.00 0.00 19.45 19.16 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 -1.44 0.81 0.05 0.00 3.52 -0.58 -5.06 118.95 116.25 1mg3 s ARG 104 Ca 0.11 -1.24 0.00 0.00 -0.13 0.00 0.00 55.73 54.47 1mg3 s ARG 104 Cb 0.10 -0.28 0.00 0.00 -1.56 0.00 0.00 34.95 33.21 1mg3 s ARG 104 CO 0.01 0.01 0.00 0.41 -0.81 0.00 0.00 175.30 174.92 1mg3 n GLY 105 N 0.22 -2.34 3.63 8.12 0.00 -1.26 -0.96 105.19 112.59 1mg3 n GLY 105 Ca -0.14 -2.04 -0.49 0.00 0.00 0.00 0.00 46.02 43.36 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 -0.02 1.64 -3.89 1.61 2.13 -1.26 -4.55 120.64 116.31 1mg3 n GLU 106 Ca 0.00 0.59 -0.31 0.00 0.66 0.00 0.00 57.16 58.10 1mg3 n GLU 106 Cb 0.00 -2.28 -0.04 0.00 0.27 0.00 0.00 31.44 29.39 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 0.53 3.46 -0.10 5.31 3.52 -1.26 -1.54 118.95 128.86 1mg3 s ARG 107 Ca 0.80 -0.39 -0.04 0.00 -0.13 0.00 0.00 55.73 55.97 1mg3 s ARG 107 Cb -0.81 -3.02 0.05 0.00 -1.56 0.00 0.00 34.95 29.62 1mg3 s ARG 107 CO 0.44 0.59 0.16 0.99 -0.81 0.00 0.00 175.30 176.67 1mg3 s THR 108 N -1.52 -0.25 -0.14 4.11 2.01 -0.36 -4.86 115.64 114.62 1mg3 s THR 108 Ca 0.36 0.26 -0.08 0.00 0.31 0.00 0.00 61.69 62.54 1mg3 s THR 108 Cb -0.13 -0.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.98 1mg3 s THR 108 CO 0.27 0.07 0.13 -1.81 -0.69 0.00 0.00 174.62 172.59 1mg3 s ASP 109 N 2.28 6.25 0.23 3.53 1.01 -1.26 -0.85 116.67 127.86 1mg3 s ASP 109 Ca 0.04 0.37 -0.10 0.00 0.71 0.00 0.00 52.55 53.56 1mg3 s ASP 109 Cb -0.13 -2.04 -0.01 0.00 1.01 0.00 0.00 42.92 41.75 1mg3 s ASP 109 CO -0.07 0.33 0.39 -0.72 0.21 0.00 0.00 175.17 175.32 1mg3 s TYR 110 N -0.57 0.49 -0.07 4.23 1.13 -0.03 0.23 117.35 122.77 1mg3 s TYR 110 Ca 0.12 -0.83 0.03 0.00 -1.41 0.00 0.00 57.07 54.98 1mg3 s TYR 110 Cb -0.12 0.03 0.01 0.00 -1.10 0.00 0.00 41.96 40.78 1mg3 s TYR 110 CO 0.02 -0.89 -0.14 0.08 -2.51 0.00 0.00 175.55 172.10 1mg3 s VAL 111 N -4.03 1.30 0.18 -3.49 1.01 0.22 -0.72 120.40 114.86 1mg3 s VAL 111 Ca 0.24 -0.58 0.10 0.00 0.00 0.00 0.00 61.98 61.74 1mg3 s VAL 111 Cb 0.01 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 1mg3 s VAL 111 CO 0.08 0.39 -0.17 -1.61 0.00 0.00 0.00 175.10 173.79 1mg3 s GLU 112 N 0.56 1.80 -0.01 2.72 2.02 -0.48 0.33 118.70 125.64 1mg3 s GLU 112 Ca -0.14 -1.35 0.05 0.00 0.02 0.00 0.00 54.97 53.54 1mg3 s GLU 112 Cb -0.16 -2.03 -0.01 0.00 0.10 0.00 0.00 34.13 32.03 1mg3 s GLU 112 CO 0.04 0.43 -0.15 0.08 0.02 0.00 0.00 175.26 175.68 1mg3 s VAL 113 N -1.60 1.21 0.03 2.63 1.01 -0.44 -1.80 120.40 121.43 1mg3 s VAL 113 Ca 0.22 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.61 1mg3 s VAL 113 Cb -0.09 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 1mg3 s VAL 113 CO 0.12 0.34 -0.16 -0.36 0.00 0.00 0.00 175.10 175.05 1mg3 s PHE 114 N -0.33 1.39 0.15 5.22 0.08 0.02 0.71 117.98 125.22 1mg3 s PHE 114 Ca 0.05 -0.33 -0.31 0.00 0.12 0.00 0.00 56.93 56.46 1mg3 s PHE 114 Cb -0.06 -0.84 -0.08 0.00 -0.57 0.00 0.00 43.02 41.47 1mg3 s PHE 114 CO -0.00 0.04 1.35 0.34 -0.10 0.00 0.00 175.22 176.84 1mg3 s ASP 115 N -0.97 6.86 0.00 1.36 -1.08 0.24 -2.62 116.67 120.46 1mg3 s ASP 115 Ca 0.04 2.35 0.20 0.00 -0.52 0.00 0.00 52.55 54.63 1mg3 s ASP 115 Cb -0.08 -2.60 1.17 0.00 -1.46 0.00 0.00 42.92 39.95 1mg3 s ASP 115 CO 0.01 -0.59 1.62 -0.81 0.52 0.00 0.00 175.17 175.91 1mg3 n PRO 116 N 3.35 0.54 -0.06 4.34 -0.04 -1.26 -1.31 135.00 140.55 1mg3 n PRO 116 Ca 0.09 0.03 -0.10 0.00 -0.04 0.00 0.00 63.50 63.48 1mg3 n PRO 116 Cb 0.43 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.08 0.70 1.20 0.52 0.31 -1.26 -4.57 118.33 114.15 1mg3 n VAL 117 Ca 0.14 -0.25 0.13 0.00 -0.01 0.00 0.00 64.34 64.34 1mg3 n VAL 117 Cb 0.10 -1.09 0.32 0.00 -0.91 0.00 0.00 33.84 32.26 1mg3 n VAL 117 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1mg3 n THR 118 N -3.01 0.00 -0.90 2.52 -2.24 -1.25 -0.71 114.28 108.70 1mg3 n THR 118 Ca -0.23 -0.13 -0.05 0.00 -2.27 0.00 0.00 64.05 61.37 1mg3 n THR 118 Cb 0.72 0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 69.42 1mg3 n THR 118 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1mg3 n LEU 119 N -0.63 -0.15 -4.81 3.22 4.32 -0.43 -4.87 117.00 113.64 1mg3 n LEU 119 Ca 0.11 0.13 -0.35 0.00 -0.02 0.00 0.00 56.01 55.89 1mg3 n LEU 119 Cb 0.36 -1.53 -0.07 0.00 -1.62 0.00 0.00 43.42 40.57 1mg3 n LEU 119 CO 0.27 -0.49 0.59 -0.76 -1.22 0.00 0.00 177.39 175.78 1mg3 s LEU 120 N -1.73 4.14 0.35 2.23 1.02 -1.25 -4.76 118.68 118.69 1mg3 s LEU 120 Ca 0.00 1.65 -0.26 0.00 0.02 0.00 0.00 54.13 55.54 1mg3 s LEU 120 Cb 0.00 -4.18 -0.09 0.00 0.02 0.00 0.00 46.19 41.93 1mg3 s LEU 120 CO 0.00 -0.19 1.02 -2.16 0.02 0.00 0.00 176.35 175.04 1mg3 s PRO 121 N -2.62 4.38 0.00 1.29 0.04 -1.26 -0.60 135.00 136.23 1mg3 s PRO 121 Ca 0.55 1.49 0.00 0.00 0.04 0.00 0.00 61.00 63.07 1mg3 s PRO 121 Cb -0.13 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.68 1mg3 s PRO 121 CO 0.18 0.06 0.32 0.25 0.04 0.00 0.00 177.00 177.86 1mg3 n THR 122 N 0.34 0.00 -3.64 1.26 -2.24 0.22 -4.84 114.28 105.38 1mg3 n THR 122 Ca 0.03 -0.49 -0.06 0.00 -2.27 0.00 0.00 64.05 61.26 1mg3 n THR 122 Cb 0.49 1.01 -0.07 0.00 -2.10 0.00 0.00 70.33 69.67 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 -0.33 -2.10 -0.46 6.98 0.00 -1.19 -4.93 121.76 119.73 1mg3 s ALA 123 Ca 0.00 2.04 0.02 0.00 0.00 0.00 0.00 51.96 54.03 1mg3 s ALA 123 Cb 0.00 -1.56 0.14 0.00 0.00 0.00 0.00 23.12 21.70 1mg3 s ALA 123 CO 0.00 -0.29 0.25 0.34 0.00 0.00 0.00 175.76 176.06 1mg3 s ASP 124 N 0.77 3.76 -0.40 0.00 -1.08 -1.26 -1.33 116.67 117.13 1mg3 s ASP 124 Ca -0.03 -2.72 -0.16 0.00 -0.52 0.00 0.00 52.55 49.12 1mg3 s ASP 124 Cb -0.04 -1.14 0.01 0.00 -1.46 0.00 0.00 42.92 40.29 1mg3 s ASP 124 CO -0.11 -0.26 0.39 -0.63 0.52 0.00 0.00 175.17 175.09 1mg3 s ILE 125 N 0.21 5.14 0.62 4.11 1.01 0.15 -4.90 121.20 127.53 1mg3 s ILE 125 Ca 0.18 -0.34 -0.17 0.00 0.00 0.00 0.00 60.65 60.32 1mg3 s ILE 125 Cb -0.24 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.23 1mg3 s ILE 125 CO -0.00 -0.34 1.11 -0.70 0.00 0.00 0.00 174.94 175.01 1mg3 s GLU 126 N 2.02 3.03 -0.21 2.79 2.12 -1.26 0.73 118.70 127.91 1mg3 s GLU 126 Ca 0.10 1.45 0.01 0.00 0.36 0.00 0.00 54.97 56.89 1mg3 s GLU 126 Cb -0.17 -1.98 0.03 0.00 0.26 0.00 0.00 34.13 32.27 1mg3 s GLU 126 CO 0.13 -1.08 -0.14 -0.51 -0.54 0.00 0.00 175.26 173.11 1mg3 s LEU 127 N -4.48 2.68 0.45 2.70 1.43 0.14 -4.56 118.68 117.03 1mg3 s LEU 127 Ca 0.69 -0.84 -0.23 0.00 -1.03 0.00 0.00 54.13 52.71 1mg3 s LEU 127 Cb -0.21 -1.55 -0.10 0.00 0.03 0.00 0.00 46.19 44.36 1mg3 s LEU 127 CO 0.36 -0.07 0.85 -2.65 0.23 0.00 0.00 176.35 175.08 1mg3 n PRO 128 N 4.60 1.04 -4.39 1.29 -0.02 -1.26 -3.47 135.00 132.79 1mg3 n PRO 128 Ca -0.18 0.38 -0.38 0.00 -2.02 0.00 0.00 63.50 61.29 1mg3 n PRO 128 Cb 0.48 -1.89 -0.07 0.00 -0.02 0.00 0.00 33.50 32.00 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 0.59 -1.52 -3.02 2.55 8.00 -1.26 -3.48 116.55 118.41 1mg3 n ASP 129 Ca 0.11 -1.19 -0.22 0.00 0.71 0.00 0.00 54.79 54.20 1mg3 n ASP 129 Cb 0.40 -1.95 0.01 0.00 -0.02 0.00 0.00 41.12 39.57 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 -4.26 -2.03 0.73 2.24 0.00 -1.23 -4.87 120.51 111.09 1mg3 n ALA 130 Ca -0.01 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.58 1mg3 n ALA 130 Cb 0.52 -1.00 0.17 0.00 0.00 0.00 0.00 19.45 19.15 1mg3 n ALA 130 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1mg3 n PRO 131 N -0.99 0.18 -1.50 0.00 -0.04 -1.23 -4.96 135.00 126.46 1mg3 n PRO 131 Ca -0.14 0.04 -0.38 0.00 -0.04 0.00 0.00 63.50 62.98 1mg3 n PRO 131 Cb 0.47 -1.60 0.04 0.00 -0.04 0.00 0.00 33.50 32.36 1mg3 n PRO 131 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1mg3 n ARG 132 N -1.85 0.62 -3.49 0.54 5.12 -1.26 -4.53 116.66 111.81 1mg3 n ARG 132 Ca 0.04 0.24 -0.42 0.00 -1.93 0.00 0.00 57.85 55.78 1mg3 n ARG 132 Cb 0.40 -1.79 -0.10 0.00 -1.16 0.00 0.00 32.46 29.81 1mg3 n ARG 132 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1mg3 s PHE 133 N -1.64 3.24 -0.55 -1.55 5.36 -1.23 -4.86 117.98 116.75 1mg3 s PHE 133 Ca 0.69 -0.59 -0.26 0.00 -0.96 0.00 0.00 56.93 55.82 1mg3 s PHE 133 Cb -0.46 -2.55 0.04 0.00 -0.34 0.00 0.00 43.02 39.71 1mg3 s PHE 133 CO 0.53 -0.57 1.02 -0.51 -1.46 0.00 0.00 175.22 174.24 1mg3 s LEU 134 N 1.67 3.87 0.24 6.12 1.43 -1.26 -4.96 118.68 125.79 1mg3 s LEU 134 Ca 0.05 -0.12 -0.16 0.00 -1.03 0.00 0.00 54.13 52.87 1mg3 s LEU 134 Cb -0.19 -3.01 0.01 0.00 0.03 0.00 0.00 46.19 43.04 1mg3 s LEU 134 CO 0.10 -1.28 0.55 0.54 0.23 0.00 0.00 176.35 176.48 1mg3 s VAL 135 N 4.25 0.01 0.57 -1.59 0.11 -1.26 -5.14 120.40 117.35 1mg3 s VAL 135 Ca 0.36 -1.13 -0.19 0.00 -2.93 0.00 0.00 61.98 58.09 1mg3 s VAL 135 Cb -0.10 -1.97 -0.07 0.00 -1.53 0.00 0.00 36.38 32.71 1mg3 s VAL 135 CO 0.23 -0.04 0.79 0.61 -3.33 0.00 0.00 175.10 173.35 1mg3 n GLY 136 N -0.39 -0.79 3.62 6.54 0.00 -1.26 -4.77 105.19 108.13 1mg3 n GLY 136 Ca -0.05 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.58 3.09 -0.29 2.61 2.01 -1.26 -4.96 115.64 115.26 1mg3 s THR 137 Ca 0.72 0.09 0.01 0.00 0.31 0.00 0.00 61.69 62.82 1mg3 s THR 137 Cb -0.44 -3.10 0.06 0.00 0.01 0.00 0.00 72.50 69.03 1mg3 s THR 137 CO 0.51 -0.05 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.04 1mg3 s TYR 138 N 7.07 3.33 0.32 4.92 2.02 -1.26 -4.98 117.35 128.77 1mg3 s TYR 138 Ca 0.94 -2.22 0.09 0.00 -0.37 0.00 0.00 57.07 55.52 1mg3 s TYR 138 Cb -0.34 -2.15 0.97 0.00 -0.40 0.00 0.00 41.96 40.04 1mg3 s TYR 138 CO 0.36 -0.86 1.53 -2.30 -1.57 0.00 0.00 175.55 172.71 1mg3 n PRO 139 N 4.50 -0.07 -1.08 -1.71 -0.02 -1.26 -1.11 135.00 134.25 1mg3 n PRO 139 Ca -0.12 1.41 -0.24 0.00 -2.02 0.00 0.00 63.50 62.53 1mg3 n PRO 139 Cb 0.42 -2.35 0.08 0.00 -0.02 0.00 0.00 33.50 31.63 1mg3 n PRO 139 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1mg3 n TRP 140 N -5.35 2.40 0.54 6.00 7.02 -1.26 -3.72 117.44 123.07 1mg3 n TRP 140 Ca 0.28 -2.30 0.06 0.00 -1.02 0.00 0.00 57.50 54.53 1mg3 n TRP 140 Cb 0.95 -1.12 0.04 0.00 -2.42 0.00 0.00 31.31 28.76 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 -0.41 1.06 -3.48 -0.99 2.81 -0.27 -0.32 117.12 115.53 1mg3 n MET 141 Ca 0.47 -1.13 -0.07 0.00 -1.81 0.00 0.00 57.70 55.16 1mg3 n MET 141 Cb 0.79 -1.23 -0.08 0.00 -0.71 0.00 0.00 33.22 32.00 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 -1.19 -0.70 0.08 2.03 2.01 -1.24 -1.33 115.64 115.30 1mg3 s THR 142 Ca 0.14 0.04 0.03 0.00 0.31 0.00 0.00 61.69 62.21 1mg3 s THR 142 Cb 0.11 -0.79 -0.03 0.00 0.01 0.00 0.00 72.50 71.80 1mg3 s THR 142 CO 0.20 -0.02 -0.09 -0.44 -0.69 0.00 0.00 174.62 173.57 1mg3 s SER 143 N 2.64 1.25 -0.02 3.53 0.01 0.20 -4.89 113.70 116.43 1mg3 s SER 143 Ca 0.06 -0.75 -0.05 0.00 1.31 0.00 0.00 55.95 56.53 1mg3 s SER 143 Cb -0.14 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 66.07 1mg3 s SER 143 CO -0.15 -0.26 0.20 -0.76 0.41 0.00 0.00 173.24 172.68 1mg3 s LEU 144 N -2.21 4.37 0.71 2.44 1.02 -1.26 0.08 118.68 123.83 1mg3 s LEU 144 Ca 0.01 0.43 -0.11 0.00 0.02 0.00 0.00 54.13 54.49 1mg3 s LEU 144 Cb -0.04 -2.55 0.01 0.00 0.02 0.00 0.00 46.19 43.63 1mg3 s LEU 144 CO -0.00 0.28 1.06 0.42 0.02 0.00 0.00 176.35 178.13 1mg3 s THR 145 N -1.27 3.92 0.34 5.49 -4.23 -0.72 -4.64 115.64 114.54 1mg3 s THR 145 Ca 0.25 0.62 0.11 0.00 -1.18 0.00 0.00 61.69 61.50 1mg3 s THR 145 Cb -0.13 -3.38 0.33 0.00 1.34 0.00 0.00 72.50 70.66 1mg3 s THR 145 CO 0.15 -0.82 1.75 -0.65 -0.54 0.00 0.00 174.62 174.52 1mg3 h PRO 146 N -0.75 0.55 0.00 3.99 0.11 -1.85 -1.28 132.00 132.76 1mg3 h PRO 146 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1mg3 h PRO 146 Cb 1.22 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1mg3 h PRO 146 CO 0.57 0.36 0.00 0.38 -0.21 0.00 0.00 178.00 179.11 1mg3 h ASP 147 N 0.56 0.00 0.00 -2.05 3.04 -1.94 -3.48 116.42 112.56 1mg3 h ASP 147 Ca 0.62 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.41 1mg3 h ASP 147 Cb 1.24 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.53 1mg3 h ASP 147 CO -0.41 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.40 1mg3 n GLY 148 N 1.29 0.80 0.20 7.15 0.00 -0.48 -4.91 105.19 109.23 1mg3 n GLY 148 Ca 0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.21 1mg3 n GLY 148 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mg3 n LYS 149 N -2.12 0.84 -3.95 1.61 5.02 -1.26 -4.70 118.16 113.60 1mg3 n LYS 149 Ca 0.00 -0.39 -0.13 0.00 -2.02 0.00 0.00 58.31 55.76 1mg3 n LYS 149 Cb 0.00 -1.49 -0.14 0.00 -0.02 0.00 0.00 35.03 33.37 1mg3 n LYS 149 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1mg3 s THR 150 N -2.43 0.12 -0.13 -0.18 2.01 -1.26 -1.74 115.64 112.03 1mg3 s THR 150 Ca 0.28 -0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.25 1mg3 s THR 150 Cb 0.20 -0.12 -0.01 0.00 0.01 0.00 0.00 72.50 72.58 1mg3 s THR 150 CO 0.48 0.04 -0.17 -0.22 -0.69 0.00 0.00 174.62 174.06 1mg3 s LEU 151 N 0.08 2.43 -0.08 4.42 0.20 -0.02 -1.75 118.68 123.95 1mg3 s LEU 151 Ca -0.00 -0.45 0.04 0.00 0.69 0.00 0.00 54.13 54.40 1mg3 s LEU 151 Cb -0.02 -1.53 -0.01 0.00 -0.43 0.00 0.00 46.19 44.20 1mg3 s LEU 151 CO -0.00 0.14 -0.19 -0.76 -0.29 0.00 0.00 176.35 175.24 1mg3 s LEU 152 N 0.50 2.41 0.09 -0.68 1.43 0.11 -0.65 118.68 121.89 1mg3 s LEU 152 Ca -0.12 -0.39 0.05 0.00 -1.03 0.00 0.00 54.13 52.64 1mg3 s LEU 152 Cb -0.16 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 1mg3 s LEU 152 CO 0.05 0.24 -0.13 0.72 0.23 0.00 0.00 176.35 177.45 1mg3 s PHE 153 N -0.09 1.22 0.35 0.29 -0.12 -0.95 0.62 117.98 119.30 1mg3 s PHE 153 Ca -0.04 -0.53 -0.07 0.00 -0.05 0.00 0.00 56.93 56.25 1mg3 s PHE 153 Cb -0.14 -0.67 -0.05 0.00 -0.63 0.00 0.00 43.02 41.53 1mg3 s PHE 153 CO 0.04 0.07 0.65 -0.47 -0.05 0.00 0.00 175.22 175.46 1mg3 s TYR 154 N -1.78 3.48 -0.03 3.49 5.04 -0.44 -0.52 117.35 126.59 1mg3 s TYR 154 Ca 0.03 0.78 0.00 0.00 -2.44 0.00 0.00 57.07 55.44 1mg3 s TYR 154 Cb -0.07 -2.23 0.03 0.00 0.35 0.00 0.00 41.96 40.04 1mg3 s TYR 154 CO 0.02 0.02 0.00 -1.14 -1.34 0.00 0.00 175.55 173.12 1mg3 s GLN 155 N -3.83 0.28 -0.24 4.97 0.74 0.63 -3.51 119.66 118.71 1mg3 s GLN 155 Ca 0.47 0.09 -0.18 0.00 0.05 0.00 0.00 55.36 55.79 1mg3 s GLN 155 Cb -0.10 -0.49 -0.15 0.00 1.10 0.00 0.00 33.01 33.37 1mg3 s GLN 155 CO 0.32 -0.15 -0.09 0.34 -0.55 0.00 0.00 175.29 175.17 1mg3 n PHE 156 N 4.21 0.51 -4.26 1.67 7.35 -1.26 -1.94 117.46 123.73 1mg3 n PHE 156 Ca -0.25 0.22 -0.31 0.00 -0.76 0.00 0.00 57.45 56.35 1mg3 n PHE 156 Cb 0.50 -1.02 -0.09 0.00 0.35 0.00 0.00 39.48 39.22 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 -7.09 4.72 0.00 -2.13 0.15 -1.26 -3.16 113.70 104.92 1mg3 s SER 157 Ca -0.33 -0.22 0.29 0.00 0.70 0.00 0.00 55.95 56.39 1mg3 s SER 157 Cb 0.10 -1.06 1.29 0.00 -1.71 0.00 0.00 66.02 64.65 1mg3 s SER 157 CO 0.53 0.21 1.95 -0.81 1.20 0.00 0.00 173.24 176.32 1mg3 n PRO 158 N 0.94 0.10 -3.58 5.44 -0.04 -1.26 -4.95 135.00 131.65 1mg3 n PRO 158 Ca -0.13 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.18 1mg3 n PRO 158 Cb 0.52 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.42 1mg3 n PRO 158 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1mg3 s ALA 159 N -2.90 -1.43 0.17 0.55 0.00 -1.19 -5.14 121.76 111.81 1mg3 s ALA 159 Ca 0.17 0.85 -0.33 0.00 0.00 0.00 0.00 51.96 52.65 1mg3 s ALA 159 Cb 0.19 0.19 -0.15 0.00 0.00 0.00 0.00 23.12 23.36 1mg3 s ALA 159 CO 0.51 -0.42 1.40 -0.35 0.00 0.00 0.00 175.76 176.90 1mg3 n PRO 160 N 0.73 1.72 -3.62 0.00 -0.04 -1.23 -4.53 135.00 128.03 1mg3 n PRO 160 Ca -0.19 0.62 -0.06 0.00 -0.04 0.00 0.00 63.50 63.83 1mg3 n PRO 160 Cb 0.58 -2.28 -0.02 0.00 -0.04 0.00 0.00 33.50 31.75 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 0.31 -1.77 -0.03 0.55 0.00 -0.82 -3.05 121.76 116.96 1mg3 s ALA 161 Ca 0.76 0.61 0.00 0.00 0.00 0.00 0.00 51.96 53.33 1mg3 s ALA 161 Cb -0.76 0.50 0.02 0.00 0.00 0.00 0.00 23.12 22.89 1mg3 s ALA 161 CO 0.46 -0.86 -0.00 0.54 0.00 0.00 0.00 175.76 175.90 1mg3 s VAL 162 N -3.15 0.16 0.07 0.00 0.11 -0.25 -0.27 120.40 117.07 1mg3 s VAL 162 Ca 0.09 0.07 -0.20 0.00 -2.93 0.00 0.00 61.98 59.01 1mg3 s VAL 162 Cb -0.01 -0.25 -0.07 0.00 -1.53 0.00 0.00 36.38 34.53 1mg3 s VAL 162 CO -0.04 0.13 0.59 -0.83 -3.33 0.00 0.00 175.10 171.63 1mg3 s GLY 163 N 0.91 2.68 -0.32 6.54 0.00 0.32 0.12 107.32 117.57 1mg3 s GLY 163 Ca -0.09 0.06 -0.12 0.00 0.00 0.00 0.00 44.72 44.58 1mg3 s GLY 163 CO -0.02 0.56 0.21 0.14 0.00 0.00 0.00 173.10 173.99 1mg3 s VAL 164 N -0.92 5.10 -0.18 1.40 1.01 0.11 -2.25 120.40 124.67 1mg3 s VAL 164 Ca 0.30 -0.19 -0.00 0.00 0.00 0.00 0.00 61.98 62.08 1mg3 s VAL 164 Cb -0.20 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.62 1mg3 s VAL 164 CO 0.19 0.07 -0.15 -0.69 0.00 0.00 0.00 175.10 174.52 1mg3 s VAL 165 N 1.70 2.57 -0.85 2.92 1.01 0.17 -0.24 120.40 127.69 1mg3 s VAL 165 Ca 0.06 -0.78 -0.22 0.00 0.00 0.00 0.00 61.98 61.04 1mg3 s VAL 165 Cb -0.17 -2.11 0.08 0.00 0.00 0.00 0.00 36.38 34.18 1mg3 s VAL 165 CO 0.09 0.50 1.20 -0.62 0.00 0.00 0.00 175.10 176.27 1mg3 s ASP 166 N 1.19 6.39 0.08 3.32 2.15 -0.55 -0.84 116.67 128.41 1mg3 s ASP 166 Ca 0.02 -1.32 -0.25 0.00 0.43 0.00 0.00 52.55 51.43 1mg3 s ASP 166 Cb -0.14 -2.48 -0.16 0.00 -0.30 0.00 0.00 42.92 39.84 1mg3 s ASP 166 CO -0.06 -1.42 1.69 -0.07 -0.17 0.00 0.00 175.17 175.13 1mg3 h LEU 167 N 11.76 -0.15 -0.72 -1.34 3.38 -1.63 0.27 115.31 126.89 1mg3 h LEU 167 Ca -0.03 -0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.05 1mg3 h LEU 167 Cb 1.04 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 41.74 1mg3 h LEU 167 CO 1.24 -0.08 0.30 -0.08 0.09 0.00 0.00 178.44 179.91 1mg3 h GLU 168 N -0.20 0.45 -0.21 1.13 4.81 -1.82 0.67 114.58 119.41 1mg3 h GLU 168 Ca -0.02 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1mg3 h GLU 168 Cb 0.16 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1mg3 h GLU 168 CO 0.03 0.30 0.00 0.41 -0.73 0.00 0.00 179.01 179.02 1mg3 n GLY 169 N -1.32 0.52 3.78 1.92 0.00 -1.12 -4.97 105.19 104.01 1mg3 n GLY 169 Ca 0.13 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 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 0.52 -0.96 -3.64 1.61 5.02 0.89 -4.98 118.16 116.62 1mg3 n LYS 170 Ca 0.16 0.45 -0.10 0.00 -2.02 0.00 0.00 58.31 56.80 1mg3 n LYS 170 Cb 0.37 -3.42 -0.07 0.00 -0.02 0.00 0.00 35.03 31.89 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 -3.37 -1.92 0.34 7.82 0.00 -0.78 -4.92 121.76 118.91 1mg3 s ALA 171 Ca 0.38 2.01 -0.29 0.00 0.00 0.00 0.00 51.96 54.06 1mg3 s ALA 171 Cb -0.16 -1.37 -0.10 0.00 0.00 0.00 0.00 23.12 21.48 1mg3 s ALA 171 CO 0.90 -0.29 1.36 0.12 0.00 0.00 0.00 175.76 177.84 1mg3 s PHE 172 N 0.50 2.93 -0.09 0.00 5.36 -1.26 -1.48 117.98 123.94 1mg3 s PHE 172 Ca -0.00 1.32 -0.11 0.00 -0.96 0.00 0.00 56.93 57.18 1mg3 s PHE 172 Cb -0.05 -3.78 -0.04 0.00 -0.34 0.00 0.00 43.02 38.82 1mg3 s PHE 172 CO -0.06 -2.21 -0.21 1.63 -1.46 0.00 0.00 175.22 172.91 1mg3 n LYS 173 N 0.83 0.32 -3.65 10.12 4.76 0.67 -4.87 118.16 126.35 1mg3 n LYS 173 Ca 0.01 0.13 -0.02 0.00 -2.87 0.00 0.00 58.31 55.55 1mg3 n LYS 173 Cb 0.41 -1.04 -0.02 0.00 -1.84 0.00 0.00 35.03 32.53 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 -2.38 0.03 -0.10 1.97 1.70 -1.16 -4.98 118.95 114.02 1mg3 s ARG 174 Ca -0.18 -0.01 -0.13 0.00 -0.47 0.00 0.00 55.73 54.94 1mg3 s ARG 174 Cb 0.02 0.01 -0.05 0.00 -0.57 0.00 0.00 34.95 34.37 1mg3 s ARG 174 CO 0.26 -0.01 0.32 -1.64 -1.08 0.00 0.00 175.30 173.15 1mg3 s MET 175 N -1.91 4.03 -0.17 3.89 -1.94 -1.26 0.04 119.30 121.98 1mg3 s MET 175 Ca 0.11 0.19 -0.10 0.00 -1.71 0.00 0.00 55.69 54.19 1mg3 s MET 175 Cb -0.01 -3.33 -0.05 0.00 2.01 0.00 0.00 34.83 33.46 1mg3 s MET 175 CO -0.03 0.46 0.15 -0.51 -0.01 0.00 0.00 175.02 175.07 1mg3 s LEU 176 N -0.23 4.26 -0.13 -0.03 1.02 0.33 -4.89 118.68 119.01 1mg3 s LEU 176 Ca 0.19 0.32 -0.29 0.00 0.02 0.00 0.00 54.13 54.36 1mg3 s LEU 176 Cb -0.14 -2.11 -0.01 0.00 0.02 0.00 0.00 46.19 43.95 1mg3 s LEU 176 CO 0.07 0.23 1.10 -1.81 0.02 0.00 0.00 176.35 175.97 1mg3 s ASP 177 N -0.00 7.12 0.34 2.29 1.01 -1.26 -1.09 116.67 125.08 1mg3 s ASP 177 Ca 0.10 1.60 0.09 0.00 0.71 0.00 0.00 52.55 55.06 1mg3 s ASP 177 Cb -0.11 -2.55 -0.06 0.00 1.01 0.00 0.00 42.92 41.21 1mg3 s ASP 177 CO 0.00 -0.58 -0.04 -0.69 0.21 0.00 0.00 175.17 174.08 1mg3 s VAL 178 N 2.52 2.43 0.00 -1.27 1.01 -1.17 -4.85 120.40 119.07 1mg3 s VAL 178 Ca 0.50 -2.08 0.00 0.00 0.00 0.00 0.00 61.98 60.41 1mg3 s VAL 178 Cb -0.20 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.45 1mg3 s VAL 178 CO 0.16 -0.19 0.00 -2.65 0.00 0.00 0.00 175.10 172.42 1mg3 n PRO 179 N -0.88 -0.12 -2.27 2.72 -0.02 -1.26 -4.68 135.00 128.48 1mg3 n PRO 179 Ca -0.05 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.01 1mg3 n PRO 179 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.11 1mg3 n PRO 179 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1mg3 n ASP 180 N -2.32 4.60 -4.39 2.55 8.00 -1.26 -4.74 116.55 118.99 1mg3 n ASP 180 Ca 0.00 -2.93 -0.19 0.00 0.71 0.00 0.00 54.79 52.38 1mg3 n ASP 180 Cb 0.00 -1.65 -0.10 0.00 -0.02 0.00 0.00 41.12 39.35 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 -3.19 0.65 0.13 0.00 1.51 0.35 -4.91 117.35 111.89 1mg3 s TYR 182 Ca 0.29 -0.56 0.00 0.00 -1.01 0.00 0.00 57.07 55.78 1mg3 s TYR 182 Cb 0.05 -0.39 0.00 0.00 -0.11 0.00 0.00 41.96 41.50 1mg3 s TYR 182 CO 0.10 -0.11 0.00 0.72 -1.11 0.00 0.00 175.55 175.16 1mg3 n HIS 183 N 1.27 -0.81 -3.83 2.71 8.25 -1.26 -1.27 115.22 120.28 1mg3 n HIS 183 Ca -0.21 0.45 -0.22 0.00 -0.26 0.00 0.00 57.72 57.47 1mg3 n HIS 183 Cb 0.56 -0.80 -0.17 0.00 1.12 0.00 0.00 29.99 30.69 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 -3.44 0.37 -0.35 1.59 1.01 0.56 -4.41 121.20 116.52 1mg3 s ILE 184 Ca 0.00 0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.77 1mg3 s ILE 184 Cb 0.00 -0.51 0.10 0.00 0.01 0.00 0.00 42.46 42.07 1mg3 s ILE 184 CO 0.00 0.25 0.09 -0.36 0.00 0.00 0.00 174.94 174.92 1mg3 s PHE 185 N 1.77 3.10 0.19 3.97 0.08 -0.32 -4.71 117.98 122.07 1mg3 s PHE 185 Ca 0.02 -2.67 -0.30 0.00 0.12 0.00 0.00 56.93 54.09 1mg3 s PHE 185 Cb -0.13 -2.56 -0.08 0.00 -0.57 0.00 0.00 43.02 39.68 1mg3 s PHE 185 CO -0.04 -0.90 1.27 -2.14 -0.10 0.00 0.00 175.22 173.30 1mg3 s PRO 186 N 0.95 4.42 0.00 0.24 0.02 -1.26 0.27 135.00 139.64 1mg3 s PRO 186 Ca 0.12 1.99 0.00 0.00 0.02 0.00 0.00 61.00 63.12 1mg3 s PRO 186 Cb -0.19 -3.21 0.00 0.00 0.02 0.00 0.00 34.50 31.11 1mg3 s PRO 186 CO -0.11 -0.20 0.00 0.25 -0.33 0.00 0.00 177.00 176.61 1mg3 n THR 187 N 2.61 0.00 -4.04 0.99 -2.24 0.42 -4.75 114.28 107.27 1mg3 n THR 187 Ca 0.06 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.72 1mg3 n THR 187 Cb 0.43 -0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 68.37 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 -1.91 0.29 0.40 6.98 0.00 -0.86 -4.81 121.76 121.85 1mg3 s ALA 188 Ca 0.00 -1.22 0.37 0.00 0.00 0.00 0.00 51.96 51.11 1mg3 s ALA 188 Cb 0.00 1.10 2.02 0.00 0.00 0.00 0.00 23.12 26.24 1mg3 s ALA 188 CO 0.00 -0.82 2.14 -1.35 0.00 0.00 0.00 175.76 175.73 1mg3 h PRO 189 N 2.19 0.00 0.00 0.00 0.11 -1.99 -2.78 132.00 129.54 1mg3 h PRO 189 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1mg3 h PRO 189 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1mg3 h PRO 189 CO 0.39 0.00 -0.26 -0.40 -0.21 0.00 0.00 178.00 177.51 1mg3 n ASP 190 N -2.81 0.64 -3.84 -2.05 5.68 -1.26 -5.01 116.55 107.90 1mg3 n ASP 190 Ca -0.02 -2.04 -0.13 0.00 -0.50 0.00 0.00 54.79 52.10 1mg3 n ASP 190 Cb 0.07 -0.19 -0.14 0.00 -1.14 0.00 0.00 41.12 39.71 1mg3 n ASP 190 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1mg3 s THR 191 N -0.68 -0.01 0.08 2.12 2.01 -1.05 -0.31 115.64 117.80 1mg3 s THR 191 Ca 0.07 0.05 -0.16 0.00 0.31 0.00 0.00 61.69 61.96 1mg3 s THR 191 Cb 0.06 -0.07 0.03 0.00 0.01 0.00 0.00 72.50 72.52 1mg3 s THR 191 CO 0.01 0.02 0.36 0.72 -0.69 0.00 0.00 174.62 175.04 1mg3 s PHE 192 N 0.28 -0.17 0.30 4.92 -0.12 -0.56 -0.44 117.98 122.19 1mg3 s PHE 192 Ca -0.02 -0.03 0.09 0.00 -0.05 0.00 0.00 56.93 56.91 1mg3 s PHE 192 Cb -0.03 0.18 -0.04 0.00 -0.63 0.00 0.00 43.02 42.50 1mg3 s PHE 192 CO -0.01 -0.60 0.10 -0.06 -0.05 0.00 0.00 175.22 174.60 1mg3 s PHE 193 N -3.11 2.77 0.01 3.49 0.40 0.14 -0.74 117.98 120.94 1mg3 s PHE 193 Ca -0.01 -0.28 -0.08 0.00 -0.60 0.00 0.00 56.93 55.96 1mg3 s PHE 193 Cb 0.01 -1.44 0.00 0.00 0.51 0.00 0.00 43.02 42.10 1mg3 s PHE 193 CO -0.07 0.47 0.16 -1.64 0.70 0.00 0.00 175.22 174.84 1mg3 s MET 194 N -3.79 0.54 -0.24 0.44 -1.94 0.20 -1.17 119.30 113.34 1mg3 s MET 194 Ca 0.35 -0.43 -0.13 0.00 -1.71 0.00 0.00 55.69 53.77 1mg3 s MET 194 Cb -0.05 0.23 -0.04 0.00 2.01 0.00 0.00 34.83 36.97 1mg3 s MET 194 CO 0.22 -0.14 0.28 -1.58 -0.01 0.00 0.00 175.02 173.80 1mg3 s HIS 195 N -1.60 3.30 0.29 -0.03 2.46 -0.39 0.10 115.29 119.41 1mg3 s HIS 195 Ca -0.13 0.37 0.04 0.00 0.47 0.00 0.00 55.06 55.80 1mg3 s HIS 195 Cb -0.06 -2.43 -0.03 0.00 -0.13 0.00 0.00 32.58 29.93 1mg3 s HIS 195 CO 0.01 -0.06 0.43 0.00 -2.47 0.00 0.00 174.74 172.66 1mg3 h ARG 197 N 1.00 0.58 0.00 0.00 2.43 -1.70 -1.32 114.38 115.37 1mg3 h ARG 197 Ca -0.51 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 1mg3 h ARG 197 Cb 1.23 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1mg3 h ARG 197 CO 0.60 0.38 0.00 -0.40 -1.51 0.00 0.00 179.97 179.05 1mg3 n ASP 198 N -4.56 0.00 0.00 -3.80 5.75 -1.26 -4.87 116.55 107.81 1mg3 n ASP 198 Ca 0.18 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 53.00 1mg3 n ASP 198 Cb 0.55 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 1mg3 n ASP 198 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1mg3 n GLY 199 N 0.49 2.21 1.65 6.12 0.00 -0.50 -4.86 105.19 110.30 1mg3 n GLY 199 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1mg3 n GLY 199 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1mg3 n SER 200 N 0.00 0.16 -4.28 1.61 3.41 -1.26 -1.65 113.62 111.61 1mg3 n SER 200 Ca 0.00 -1.27 -0.24 0.00 -0.26 0.00 0.00 58.87 57.10 1mg3 n SER 200 Cb 0.00 -0.40 -0.13 0.00 -0.26 0.00 0.00 64.21 63.42 1mg3 n SER 200 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1mg3 s LEU 201 N 0.00 2.29 -0.05 1.04 2.96 -1.26 -2.44 118.68 121.22 1mg3 s LEU 201 Ca 0.31 -0.67 0.06 0.00 -0.22 0.00 0.00 54.13 53.62 1mg3 s LEU 201 Cb -0.01 -0.90 -0.01 0.00 0.50 0.00 0.00 46.19 45.77 1mg3 s LEU 201 CO 0.22 0.07 -0.25 0.00 -1.32 0.00 0.00 176.35 175.07 1mg3 s ALA 202 N -1.12 2.17 -0.22 5.97 0.00 0.29 -1.46 121.76 127.39 1mg3 s ALA 202 Ca 0.07 -1.06 -0.08 0.00 0.00 0.00 0.00 51.96 50.88 1mg3 s ALA 202 Cb -0.10 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.33 1mg3 s ALA 202 CO 0.04 0.44 0.09 0.21 0.00 0.00 0.00 175.76 176.54 1mg3 s LYS 203 N -0.26 3.92 -0.16 0.00 2.20 0.60 -0.63 119.74 125.40 1mg3 s LYS 203 Ca -0.01 -0.36 0.01 0.00 -0.36 0.00 0.00 55.97 55.26 1mg3 s LYS 203 Cb -0.13 -3.33 0.02 0.00 -1.51 0.00 0.00 37.83 32.88 1mg3 s LYS 203 CO 0.03 0.09 -0.19 0.08 -0.36 0.00 0.00 175.35 175.00 1mg3 s VAL 204 N 0.89 1.94 -0.19 4.02 1.01 0.08 -2.16 120.40 125.99 1mg3 s VAL 204 Ca 0.05 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1mg3 s VAL 204 Cb -0.13 -1.76 0.03 0.00 0.00 0.00 0.00 36.38 34.52 1mg3 s VAL 204 CO 0.03 0.52 -0.17 0.00 0.00 0.00 0.00 175.10 175.48 1mg3 s ALA 205 N 1.24 2.27 0.10 5.51 0.00 -0.86 -1.50 121.76 128.52 1mg3 s ALA 205 Ca 0.03 -1.25 0.10 0.00 0.00 0.00 0.00 51.96 50.83 1mg3 s ALA 205 Cb -0.13 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 1mg3 s ALA 205 CO -0.10 -0.51 -0.25 -0.59 0.00 0.00 0.00 175.76 174.31 1mg3 s PHE 206 N 1.30 2.16 0.10 0.00 -0.71 0.58 -1.39 117.98 120.03 1mg3 s PHE 206 Ca 0.03 -0.39 0.02 0.00 -1.04 0.00 0.00 56.93 55.54 1mg3 s PHE 206 Cb -0.14 -1.21 0.02 0.00 -1.21 0.00 0.00 43.02 40.48 1mg3 s PHE 206 CO -0.11 0.25 0.13 0.41 -1.34 0.00 0.00 175.22 174.56 1mg3 n GLY 207 N 1.19 2.06 0.20 1.99 0.00 -1.26 -4.69 105.19 104.68 1mg3 n GLY 207 Ca -0.18 -2.15 0.06 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 0.08 0.96 -3.36 2.61 1.03 -2.01 -3.45 112.91 108.76 1mg3 h THR 208 Ca -0.05 -1.22 -0.06 0.00 -0.01 0.00 0.00 66.41 65.07 1mg3 h THR 208 Cb 0.22 1.72 -0.13 0.00 -1.07 0.00 0.00 68.15 68.88 1mg3 h THR 208 CO 0.07 0.31 -0.09 -1.83 -0.01 0.00 0.00 175.52 173.98 1mg3 s GLU 209 N -3.95 1.04 0.00 0.00 -1.05 -1.26 -5.05 118.70 108.44 1mg3 s GLU 209 Ca -0.02 -0.67 0.00 0.00 -0.15 0.00 0.00 54.97 54.13 1mg3 s GLU 209 Cb 0.13 0.46 0.00 0.00 -0.44 0.00 0.00 34.13 34.27 1mg3 s GLU 209 CO 0.68 -0.40 0.00 0.41 0.95 0.00 0.00 175.26 176.90 1mg3 n GLY 210 N -0.13 1.00 3.74 -3.83 0.00 -1.26 -4.96 105.19 99.75 1mg3 n GLY 210 Ca -0.16 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.55 1mg3 n GLY 210 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mg3 s THR 211 N -2.29 3.30 0.51 2.61 2.01 -1.26 -4.76 115.64 115.76 1mg3 s THR 211 Ca 0.00 1.07 -0.21 0.00 0.31 0.00 0.00 61.69 62.86 1mg3 s THR 211 Cb 0.00 -3.68 -0.06 0.00 0.01 0.00 0.00 72.50 68.77 1mg3 s THR 211 CO 0.00 0.16 1.19 -2.16 -0.69 0.00 0.00 174.62 173.12 1mg3 s PRO 212 N -0.08 3.46 -0.32 4.92 0.04 -1.26 -4.88 135.00 136.87 1mg3 s PRO 212 Ca 0.56 1.81 -0.24 0.00 0.04 0.00 0.00 61.00 63.16 1mg3 s PRO 212 Cb -0.36 -2.22 0.01 0.00 0.04 0.00 0.00 34.50 31.97 1mg3 s PRO 212 CO 0.37 -0.81 0.84 -2.00 0.04 0.00 0.00 177.00 175.45 1mg3 s GLU 213 N -2.96 3.95 -0.06 4.56 2.12 -0.48 -4.93 118.70 120.89 1mg3 s GLU 213 Ca 0.69 0.64 0.04 0.00 0.36 0.00 0.00 54.97 56.70 1mg3 s GLU 213 Cb -0.29 -3.74 -0.02 0.00 0.26 0.00 0.00 34.13 30.34 1mg3 s GLU 213 CO 0.34 -0.75 -0.19 0.42 -0.54 0.00 0.00 175.26 174.54 1mg3 s ILE 214 N 3.11 2.59 0.05 -3.70 1.01 -1.26 -2.03 121.20 120.98 1mg3 s ILE 214 Ca 0.35 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 60.13 1mg3 s ILE 214 Cb -0.14 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.31 1mg3 s ILE 214 CO 0.14 0.57 -0.05 0.42 0.00 0.00 0.00 174.94 176.02 1mg3 s THR 215 N -0.31 0.37 0.32 2.92 -4.23 -0.92 -4.99 115.64 108.79 1mg3 s THR 215 Ca 0.02 -1.48 0.09 0.00 -1.18 0.00 0.00 61.69 59.14 1mg3 s THR 215 Cb -0.13 -1.08 -0.05 0.00 1.34 0.00 0.00 72.50 72.59 1mg3 s THR 215 CO 0.02 -0.73 0.01 -1.00 -0.54 0.00 0.00 174.62 172.38 1mg3 s HIS 216 N -2.75 2.58 0.45 3.99 3.76 -1.26 -0.29 115.29 121.76 1mg3 s HIS 216 Ca -0.01 -0.36 0.05 0.00 -0.15 0.00 0.00 55.06 54.59 1mg3 s HIS 216 Cb -0.01 -1.39 0.05 0.00 1.11 0.00 0.00 32.58 32.35 1mg3 s HIS 216 CO -0.05 0.52 0.40 0.25 -0.85 0.00 0.00 174.74 175.02 1mg3 n THR 217 N -0.93 0.00 -1.80 1.30 -2.24 -0.54 -4.95 114.28 105.13 1mg3 n THR 217 Ca -0.05 -1.70 -0.34 0.00 -2.27 0.00 0.00 64.05 59.70 1mg3 n THR 217 Cb 0.61 -0.24 0.05 0.00 -2.10 0.00 0.00 70.33 68.65 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 -3.88 2.75 -0.15 -0.78 -1.05 -1.26 -4.47 118.70 109.86 1mg3 s GLU 218 Ca 0.31 1.58 -0.29 0.00 -0.15 0.00 0.00 54.97 56.41 1mg3 s GLU 218 Cb -0.02 -1.93 -0.04 0.00 -0.44 0.00 0.00 34.13 31.70 1mg3 s GLU 218 CO 0.19 -1.32 1.59 0.08 0.95 0.00 0.00 175.26 176.75 1mg3 s VAL 219 N -2.05 3.72 -1.23 1.83 1.01 -1.26 -4.32 120.40 118.10 1mg3 s VAL 219 Ca 0.71 0.84 0.16 0.00 0.00 0.00 0.00 61.98 63.69 1mg3 s VAL 219 Cb -0.25 -3.65 0.61 0.00 0.00 0.00 0.00 36.38 33.10 1mg3 s VAL 219 CO 0.39 -0.19 1.50 2.22 0.00 0.00 0.00 175.10 179.02 1mg3 n PHE 220 N 7.77 1.27 -3.59 5.22 -1.74 -0.66 -4.89 117.46 120.84 1mg3 n PHE 220 Ca 0.18 -0.51 -0.13 0.00 -0.56 0.00 0.00 57.45 56.43 1mg3 n PHE 220 Cb 0.44 -0.21 -0.06 0.00 1.52 0.00 0.00 39.48 41.17 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 -1.79 -0.58 0.65 2.97 -3.43 -1.25 -5.09 115.29 106.77 1mg3 s HIS 221 Ca 0.43 1.22 -0.15 0.00 -0.80 0.00 0.00 55.06 55.76 1mg3 s HIS 221 Cb 0.28 0.37 -0.01 0.00 -1.43 0.00 0.00 32.58 31.79 1mg3 s HIS 221 CO 0.21 -0.40 1.10 -1.25 -2.00 0.00 0.00 174.74 172.41 1mg3 s PRO 222 N -0.43 2.91 0.66 -0.38 0.04 -1.26 -4.76 135.00 131.78 1mg3 s PRO 222 Ca -0.03 1.35 0.41 0.00 0.04 0.00 0.00 61.00 62.78 1mg3 s PRO 222 Cb -0.03 -1.97 2.27 0.00 0.04 0.00 0.00 34.50 34.82 1mg3 s PRO 222 CO 0.02 -1.16 2.31 1.49 0.04 0.00 0.00 177.00 179.69 1mg3 h GLU 223 N 0.11 0.00 -0.54 4.56 4.81 -1.98 -1.78 114.58 119.76 1mg3 h GLU 223 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1mg3 h GLU 223 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1mg3 h GLU 223 CO 0.55 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.43 1mg3 n ASP 224 N -3.15 5.49 -4.17 1.04 3.85 -1.26 -4.81 116.55 113.54 1mg3 n ASP 224 Ca -0.03 -2.93 -0.34 0.00 -0.71 0.00 0.00 54.79 50.78 1mg3 n ASP 224 Cb 0.12 -0.67 -0.14 0.00 -1.35 0.00 0.00 41.12 39.08 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 -2.75 2.71 -0.24 0.11 2.12 -0.67 -5.10 118.70 114.88 1mg3 s GLU 225 Ca 0.53 -1.06 -0.14 0.00 0.36 0.00 0.00 54.97 54.66 1mg3 s GLU 225 Cb 0.41 -2.96 -0.04 0.00 0.26 0.00 0.00 34.13 31.79 1mg3 s GLU 225 CO 0.15 -0.44 0.31 -0.06 -0.54 0.00 0.00 175.26 174.69 1mg3 s PHE 226 N 1.28 3.31 -0.34 5.30 0.08 -1.26 -4.81 117.98 121.53 1mg3 s PHE 226 Ca -0.01 0.41 -0.16 0.00 0.12 0.00 0.00 56.93 57.28 1mg3 s PHE 226 Cb -0.17 -2.46 -0.01 0.00 -0.57 0.00 0.00 43.02 39.81 1mg3 s PHE 226 CO -0.05 -0.07 0.42 -0.51 -0.10 0.00 0.00 175.22 174.91 1mg3 s LEU 227 N 1.52 4.40 1.03 -0.37 1.02 -1.26 -1.13 118.68 123.89 1mg3 s LEU 227 Ca 0.14 -0.15 -0.19 0.00 0.02 0.00 0.00 54.13 53.96 1mg3 s LEU 227 Cb -0.15 -2.43 -0.02 0.00 0.02 0.00 0.00 46.19 43.61 1mg3 s LEU 227 CO 0.08 -0.39 -0.34 2.30 0.02 0.00 0.00 176.35 178.02 1mg3 n ILE 228 N 5.31 0.00 1.42 -0.59 -5.35 -1.01 -4.87 119.36 114.26 1mg3 n ILE 228 Ca -0.07 -0.25 0.14 0.00 -0.27 0.00 0.00 62.75 62.30 1mg3 n ILE 228 Cb 0.49 -0.38 0.61 0.00 -1.74 0.00 0.00 39.64 38.62 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 0.35 0.50 -3.26 7.28 3.02 -1.26 -4.36 115.26 117.54 1mg3 n ASN 229 Ca 0.01 -0.62 -0.28 0.00 -0.03 0.00 0.00 54.58 53.66 1mg3 n ASN 229 Cb 0.61 -0.06 -0.06 0.00 -0.61 0.00 0.00 39.78 39.66 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 -0.91 3.76 -2.14 3.10 8.25 -1.26 -4.84 115.22 121.18 1mg3 n HIS 230 Ca 0.15 -4.02 -0.33 0.00 -0.26 0.00 0.00 57.72 53.26 1mg3 n HIS 230 Cb 0.28 -0.57 0.00 0.00 1.12 0.00 0.00 29.99 30.82 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 -2.92 3.41 -0.13 -0.41 0.04 -1.26 -4.32 135.00 129.42 1mg3 s PRO 231 Ca 0.43 1.23 -0.15 0.00 0.04 0.00 0.00 61.00 62.56 1mg3 s PRO 231 Cb 0.20 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 1mg3 s PRO 231 CO -0.06 -0.74 0.34 0.00 0.04 0.00 0.00 177.00 176.59 1mg3 s ALA 232 N -2.36 3.59 -0.10 8.56 0.00 -0.06 -4.95 121.76 126.44 1mg3 s ALA 232 Ca 0.64 -0.37 -0.02 0.00 0.00 0.00 0.00 51.96 52.22 1mg3 s ALA 232 Cb -0.16 -2.43 0.03 0.00 0.00 0.00 0.00 23.12 20.56 1mg3 s ALA 232 CO 0.34 0.14 0.00 -0.47 0.00 0.00 0.00 175.76 175.77 1mg3 s TYR 233 N 0.25 0.78 -0.54 0.00 5.04 -1.26 0.11 117.35 121.73 1mg3 s TYR 233 Ca 0.20 -0.33 -0.17 0.00 -2.44 0.00 0.00 57.07 54.33 1mg3 s TYR 233 Cb -0.14 -0.87 0.12 0.00 0.35 0.00 0.00 41.96 41.42 1mg3 s TYR 233 CO 0.07 -0.39 0.53 0.45 -1.34 0.00 0.00 175.55 174.86 1mg3 s SER 234 N 1.94 6.19 0.33 4.32 0.15 -0.09 -4.92 113.70 121.61 1mg3 s SER 234 Ca 0.04 -1.67 0.05 0.00 0.70 0.00 0.00 55.95 55.07 1mg3 s SER 234 Cb -0.13 -2.22 0.69 0.00 -1.71 0.00 0.00 66.02 62.64 1mg3 s SER 234 CO -0.06 -0.88 1.89 -0.61 1.20 0.00 0.00 173.24 174.78 1mg3 h GLN 235 N 8.93 0.81 -0.51 5.44 4.15 -1.91 0.34 115.11 132.35 1mg3 h GLN 235 Ca -0.30 -0.05 -0.12 0.00 0.77 0.00 0.00 58.65 58.96 1mg3 h GLN 235 Cb 1.10 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 28.59 1mg3 h GLN 235 CO 1.03 0.54 -0.14 0.87 -1.93 0.00 0.00 178.83 179.20 1mg3 h LYS 236 N 0.84 1.00 0.00 1.69 1.57 -1.96 -2.97 116.57 116.73 1mg3 h LYS 236 Ca 0.42 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1mg3 h LYS 236 Cb 0.47 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1mg3 h LYS 236 CO -0.18 1.06 -0.43 0.00 -0.57 0.00 0.00 179.45 179.34 1mg3 n ALA 237 N -2.51 2.94 -1.63 3.86 0.00 -0.75 -4.92 120.51 117.52 1mg3 n ALA 237 Ca 0.01 -0.23 -0.12 0.00 0.00 0.00 0.00 53.44 53.10 1mg3 n ALA 237 Cb 0.42 -1.24 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 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 1.40 0.86 3.63 0.00 0.00 0.11 -4.59 105.19 106.61 1mg3 n GLY 238 Ca 0.05 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.52 3.98 -0.31 1.61 6.06 -1.01 -0.56 118.95 125.20 1mg3 s ARG 239 Ca 0.00 -0.34 -0.01 0.00 -2.50 0.00 0.00 55.73 52.89 1mg3 s ARG 239 Cb 0.00 -3.25 0.07 0.00 0.06 0.00 0.00 34.95 31.83 1mg3 s ARG 239 CO 0.00 0.25 0.02 -1.17 -2.50 0.00 0.00 175.30 171.89 1mg3 s LEU 240 N 0.45 4.12 -0.38 -0.88 0.20 -0.27 -0.92 118.68 121.01 1mg3 s LEU 240 Ca 0.04 -1.50 -0.14 0.00 0.69 0.00 0.00 54.13 53.22 1mg3 s LEU 240 Cb -0.12 -1.70 0.00 0.00 -0.43 0.00 0.00 46.19 43.94 1mg3 s LEU 240 CO 0.00 -0.30 0.29 -0.69 -0.29 0.00 0.00 176.35 175.36 1mg3 s VAL 241 N 1.18 5.25 -0.29 1.68 1.01 0.12 -0.96 120.40 128.39 1mg3 s VAL 241 Ca -0.02 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1mg3 s VAL 241 Cb -0.20 -3.85 0.08 0.00 0.00 0.00 0.00 36.38 32.41 1mg3 s VAL 241 CO -0.03 -0.19 -0.04 0.86 0.00 0.00 0.00 175.10 175.70 1mg3 s TRP 242 N 1.74 3.45 0.67 5.22 -0.11 0.70 -0.88 118.94 129.74 1mg3 s TRP 242 Ca 0.06 -2.60 -0.11 0.00 1.22 0.00 0.00 56.10 54.67 1mg3 s TRP 242 Cb -0.18 -2.34 -0.01 0.00 -1.50 0.00 0.00 33.47 29.44 1mg3 s TRP 242 CO 0.11 -0.91 1.05 -2.14 -4.62 0.00 0.00 176.95 170.44 1mg3 s PRO 243 N 1.03 3.18 0.44 5.86 0.02 -1.26 -0.91 135.00 143.36 1mg3 s PRO 243 Ca -0.00 0.74 0.06 0.00 0.02 0.00 0.00 61.00 61.82 1mg3 s PRO 243 Cb -0.20 -2.03 -0.04 0.00 0.02 0.00 0.00 34.50 32.25 1mg3 s PRO 243 CO -0.06 -0.87 0.18 0.95 -0.33 0.00 0.00 177.00 176.87 1mg3 s THR 244 N -3.18 2.11 0.45 0.99 -4.23 0.12 -2.41 115.64 109.50 1mg3 s THR 244 Ca 0.57 -1.71 0.20 0.00 -1.18 0.00 0.00 61.69 59.56 1mg3 s THR 244 Cb -0.12 -2.82 0.39 0.00 1.34 0.00 0.00 72.50 71.29 1mg3 s THR 244 CO 0.54 0.00 1.90 1.88 -0.54 0.00 0.00 174.62 178.40 1mg3 h TYR 245 N 1.35 0.37 0.00 3.99 -1.99 -1.46 -2.21 116.97 117.03 1mg3 h TYR 245 Ca -0.42 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.32 1mg3 h TYR 245 Cb 1.26 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 39.88 1mg3 h TYR 245 CO 0.76 0.12 -0.41 1.79 -0.00 0.00 0.00 178.16 180.42 1mg3 h THR 246 N 0.30 0.00 0.00 -2.88 1.35 -1.93 -3.33 112.91 106.41 1mg3 h THR 246 Ca 0.39 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1mg3 h THR 246 Cb 1.09 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 1mg3 h THR 246 CO -0.11 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.77 1mg3 n GLY 247 N 1.14 1.15 3.77 5.82 0.00 -0.83 -4.62 105.19 111.62 1mg3 n GLY 247 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.11 4.26 -0.16 1.61 2.20 -1.26 -1.50 119.74 124.78 1mg3 s LYS 248 Ca 0.00 2.21 0.01 0.00 -0.36 0.00 0.00 55.97 57.83 1mg3 s LYS 248 Cb 0.00 -2.99 0.02 0.00 -1.51 0.00 0.00 37.83 33.35 1mg3 s LYS 248 CO 0.00 -0.27 -0.19 0.42 -0.36 0.00 0.00 175.35 174.95 1mg3 s ILE 249 N -1.17 1.95 -0.28 5.43 1.01 0.33 -0.70 121.20 127.77 1mg3 s ILE 249 Ca 0.51 -0.89 -0.13 0.00 0.00 0.00 0.00 60.65 60.14 1mg3 s ILE 249 Cb -0.39 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 1mg3 s ILE 249 CO 0.52 0.53 0.29 -1.00 0.00 0.00 0.00 174.94 175.28 1mg3 s HIS 250 N 1.15 3.23 -0.13 3.97 3.76 -0.09 -1.77 115.29 125.41 1mg3 s HIS 250 Ca 0.00 0.24 -0.01 0.00 -0.15 0.00 0.00 55.06 55.14 1mg3 s HIS 250 Cb -0.14 -2.50 -0.02 0.00 1.11 0.00 0.00 32.58 31.03 1mg3 s HIS 250 CO -0.08 -0.22 -0.09 -0.65 -0.85 0.00 0.00 174.74 172.85 1mg3 s GLN 251 N 1.92 3.41 -0.03 1.40 -0.21 -1.26 -0.21 119.66 124.68 1mg3 s GLN 251 Ca 0.11 -0.60 0.07 0.00 0.02 0.00 0.00 55.36 54.96 1mg3 s GLN 251 Cb -0.16 -2.73 -0.02 0.00 1.00 0.00 0.00 33.01 31.10 1mg3 s GLN 251 CO 0.11 0.29 -0.24 0.42 -2.12 0.00 0.00 175.29 173.74 1mg3 s ILE 252 N 0.20 1.94 -0.25 1.08 1.09 -0.13 -1.25 121.20 123.87 1mg3 s ILE 252 Ca -0.05 -1.04 -0.05 0.00 -1.10 0.00 0.00 60.65 58.41 1mg3 s ILE 252 Cb -0.15 -1.62 -0.00 0.00 -1.06 0.00 0.00 42.46 39.63 1mg3 s ILE 252 CO 0.04 0.55 0.02 -0.62 -0.10 0.00 0.00 174.94 174.82 1mg3 s ASP 253 N -0.43 4.72 -0.02 3.58 2.15 0.28 -1.11 116.67 125.84 1mg3 s ASP 253 Ca 0.05 -0.52 0.09 0.00 0.43 0.00 0.00 52.55 52.60 1mg3 s ASP 253 Cb -0.11 -1.81 0.27 0.00 -0.30 0.00 0.00 42.92 40.97 1mg3 s ASP 253 CO 0.00 -0.09 1.22 0.18 -0.17 0.00 0.00 175.17 176.31 1mg3 n LEU 254 N 4.83 2.82 0.00 -1.34 4.32 0.27 -1.10 117.00 126.80 1mg3 n LEU 254 Ca -0.16 -2.14 0.05 0.00 -0.02 0.00 0.00 56.01 53.74 1mg3 n LEU 254 Cb 0.49 -0.22 0.32 0.00 -1.62 0.00 0.00 43.42 42.39 1mg3 n LEU 254 CO 0.30 0.68 0.53 -1.54 -1.22 0.00 0.00 177.39 176.13 1mg3 n SER 255 N 0.14 0.00 -0.00 -1.43 3.41 -1.23 -1.70 113.62 112.81 1mg3 n SER 255 Ca 0.10 -0.49 0.06 0.00 -0.26 0.00 0.00 58.87 58.28 1mg3 n SER 255 Cb 0.45 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.31 1mg3 n SER 255 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1mg3 n SER 256 N -0.90 1.95 0.00 4.04 3.41 -1.26 -4.97 113.62 115.88 1mg3 n SER 256 Ca 0.08 -0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 1mg3 n SER 256 Cb 0.04 1.44 0.00 0.00 -0.26 0.00 0.00 64.21 65.43 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 1.72 0.54 2.99 5.00 0.00 -0.69 -5.06 105.19 109.69 1mg3 n GLY 257 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.01 0.68 -0.03 1.61 1.01 -1.26 -5.09 116.67 111.57 1mg3 s ASP 258 Ca 0.00 -0.25 -0.30 0.00 0.71 0.00 0.00 52.55 52.72 1mg3 s ASP 258 Cb 0.00 -0.03 -0.07 0.00 1.01 0.00 0.00 42.92 43.83 1mg3 s ASP 258 CO 0.00 -0.03 1.92 0.00 0.21 0.00 0.00 175.17 177.27 1mg3 s ALA 259 N -0.55 3.45 -0.27 5.23 0.00 -1.26 -4.43 121.76 123.93 1mg3 s ALA 259 Ca -0.02 1.12 0.03 0.00 0.00 0.00 0.00 51.96 53.08 1mg3 s ALA 259 Cb -0.05 -3.86 0.06 0.00 0.00 0.00 0.00 23.12 19.28 1mg3 s ALA 259 CO -0.00 -1.74 -0.09 0.21 0.00 0.00 0.00 175.76 174.14 1mg3 s LYS 260 N 4.66 2.21 -0.41 0.00 2.20 -0.26 -4.97 119.74 123.16 1mg3 s LYS 260 Ca 0.86 -1.38 -0.28 0.00 -0.36 0.00 0.00 55.97 54.81 1mg3 s LYS 260 Cb -0.38 -2.93 0.02 0.00 -1.51 0.00 0.00 37.83 33.03 1mg3 s LYS 260 CO 0.38 -0.60 1.05 -0.06 -0.36 0.00 0.00 175.35 175.76 1mg3 s PHE 261 N 1.10 2.97 0.70 4.03 0.08 -1.26 -0.56 117.98 125.04 1mg3 s PHE 261 Ca -0.08 0.81 -0.11 0.00 0.12 0.00 0.00 56.93 57.67 1mg3 s PHE 261 Cb -0.20 -4.02 0.01 0.00 -0.57 0.00 0.00 43.02 38.24 1mg3 s PHE 261 CO -0.05 -1.03 1.07 -0.51 -0.10 0.00 0.00 175.22 174.60 1mg3 s LEU 262 N 3.96 2.98 0.31 -0.37 1.02 -0.38 -4.99 118.68 121.19 1mg3 s LEU 262 Ca 0.44 1.36 -0.29 0.00 0.02 0.00 0.00 54.13 55.65 1mg3 s LEU 262 Cb -0.10 -4.20 -0.11 0.00 0.02 0.00 0.00 46.19 41.80 1mg3 s LEU 262 CO 0.24 -1.37 1.48 -2.84 0.02 0.00 0.00 176.35 173.88 1mg3 s PRO 263 N -5.20 4.20 0.60 1.29 0.02 -1.26 -4.45 135.00 130.20 1mg3 s PRO 263 Ca 0.58 2.44 -0.19 0.00 0.02 0.00 0.00 61.00 63.86 1mg3 s PRO 263 Cb -0.12 -3.04 -0.03 0.00 0.02 0.00 0.00 34.50 31.32 1mg3 s PRO 263 CO 0.54 -0.48 1.21 0.00 -0.33 0.00 0.00 177.00 177.94 1mg3 s ALA 264 N -0.45 2.52 0.01 -1.55 0.00 -1.26 -4.67 121.76 116.37 1mg3 s ALA 264 Ca 0.57 1.02 0.02 0.00 0.00 0.00 0.00 51.96 53.58 1mg3 s ALA 264 Cb -0.45 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.20 1mg3 s ALA 264 CO 0.51 -1.21 -0.07 0.08 0.00 0.00 0.00 175.76 175.07 1mg3 s VAL 265 N -1.58 0.55 -0.30 0.00 1.01 -0.73 -4.94 120.40 114.41 1mg3 s VAL 265 Ca 0.78 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 62.08 1mg3 s VAL 265 Cb -0.31 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.54 1mg3 s VAL 265 CO 0.34 0.01 0.45 -0.70 0.00 0.00 0.00 175.10 175.19 1mg3 s GLU 266 N -0.55 3.87 0.21 2.72 2.56 -1.26 0.12 118.70 126.37 1mg3 s GLU 266 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 54.97 55.07 1mg3 s GLU 266 Cb -0.05 -3.72 0.08 0.00 2.00 0.00 0.00 34.13 32.44 1mg3 s GLU 266 CO 0.00 -0.43 1.44 0.00 -0.56 0.00 0.00 175.26 175.71 1mg3 h ALA 267 N 8.25 0.63 -2.97 6.30 0.00 -1.62 -3.44 119.26 126.41 1mg3 h ALA 267 Ca -0.30 -0.68 -0.63 0.00 0.00 0.00 0.00 54.91 53.30 1mg3 h ALA 267 Cb 1.14 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 1mg3 h ALA 267 CO 0.70 0.94 -0.53 -0.51 0.00 0.00 0.00 179.25 179.85 1mg3 s LEU 268 N -6.92 4.19 0.76 0.00 1.43 -1.26 -4.99 118.68 111.88 1mg3 s LEU 268 Ca 0.01 0.21 -0.12 0.00 -1.03 0.00 0.00 54.13 53.21 1mg3 s LEU 268 Cb 0.10 -2.70 0.04 0.00 0.03 0.00 0.00 46.19 43.67 1mg3 s LEU 268 CO 0.78 0.20 1.12 0.42 0.23 0.00 0.00 176.35 179.10 1mg3 s THR 269 N -1.41 3.03 0.26 5.49 -4.23 -1.26 -4.82 115.64 112.70 1mg3 s THR 269 Ca 0.31 0.34 -0.03 0.00 -1.18 0.00 0.00 61.69 61.12 1mg3 s THR 269 Cb -0.13 -3.27 0.24 0.00 1.34 0.00 0.00 72.50 70.69 1mg3 s THR 269 CO 0.23 -0.44 1.86 -0.33 -0.54 0.00 0.00 174.62 175.40 1mg3 h GLU 270 N -0.86 1.00 -0.21 3.99 4.39 -1.99 0.39 114.58 121.29 1mg3 h GLU 270 Ca -0.46 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.14 1mg3 h GLU 270 Cb 1.28 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 1mg3 h GLU 270 CO 0.63 0.66 -0.05 0.00 -1.16 0.00 0.00 179.01 179.10 1mg3 h ALA 271 N 1.45 0.29 -0.13 3.43 0.00 -1.99 -1.87 119.26 120.44 1mg3 h ALA 271 Ca 0.41 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1mg3 h ALA 271 Cb 0.23 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1mg3 h ALA 271 CO -0.19 0.07 0.09 0.93 0.00 0.00 0.00 179.25 180.14 1mg3 h GLU 272 N 0.14 0.18 -0.31 0.00 5.08 -1.78 -0.47 114.58 117.41 1mg3 h GLU 272 Ca 0.05 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1mg3 h GLU 272 Cb 0.50 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1mg3 h GLU 272 CO 0.02 0.12 0.18 0.00 -1.00 0.00 0.00 179.01 178.34 1mg3 h ARG 273 N 0.18 0.41 -0.05 2.33 3.08 -0.91 -0.14 114.38 119.28 1mg3 h ARG 273 Ca 0.05 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 59.92 1mg3 h ARG 273 Cb -0.01 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 1mg3 h ARG 273 CO -0.01 0.29 -0.62 0.00 -1.07 0.00 0.00 179.97 178.56 1mg3 h ALA 274 N 1.78 0.87 -0.26 0.04 0.00 -0.76 -2.71 119.26 118.23 1mg3 h ALA 274 Ca 0.11 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1mg3 h ALA 274 Cb -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1mg3 h ALA 274 CO -0.02 0.75 0.00 -0.25 0.00 0.00 0.00 179.25 179.73 1mg3 n ASP 275 N -3.84 1.42 -0.08 0.00 8.00 -0.24 -4.91 116.55 116.90 1mg3 n ASP 275 Ca -0.02 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.50 1mg3 n ASP 275 Cb 0.63 -0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 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 0.93 0.76 3.82 0.44 0.00 -0.68 -4.89 105.19 105.57 1mg3 n GLY 276 Ca 0.09 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.17 3.76 -0.00 1.61 0.52 -0.22 -1.15 118.94 121.28 1mg3 s TRP 277 Ca 0.00 1.26 -0.23 0.00 0.02 0.00 0.00 56.10 57.15 1mg3 s TRP 277 Cb 0.00 -2.50 0.05 0.00 -1.15 0.00 0.00 33.47 29.87 1mg3 s TRP 277 CO 0.00 0.53 0.52 1.03 0.02 0.00 0.00 176.95 179.05 1mg3 s ARG 278 N -1.38 0.95 0.52 4.98 0.52 -0.40 -4.53 118.95 119.61 1mg3 s ARG 278 Ca 0.33 -0.06 -0.20 0.00 -0.52 0.00 0.00 55.73 55.28 1mg3 s ARG 278 Cb -0.18 0.44 -0.07 0.00 0.52 0.00 0.00 34.95 35.65 1mg3 s ARG 278 CO 0.20 -0.31 1.07 -1.25 0.02 0.00 0.00 175.30 175.02 1mg3 s PRO 279 N -1.76 3.61 -0.12 3.54 0.04 -1.25 -2.72 135.00 136.34 1mg3 s PRO 279 Ca -0.09 1.43 -0.25 0.00 0.04 0.00 0.00 61.00 62.13 1mg3 s PRO 279 Cb -0.01 -2.06 0.06 0.00 0.04 0.00 0.00 34.50 32.53 1mg3 s PRO 279 CO 0.04 -0.61 0.60 0.20 0.04 0.00 0.00 177.00 177.27 1mg3 s GLY 280 N -1.99 -0.47 0.00 0.56 0.00 -1.00 -4.77 107.32 99.65 1mg3 s GLY 280 Ca 0.69 1.34 0.00 0.00 0.00 0.00 0.00 44.72 46.75 1mg3 s GLY 280 CO 0.24 1.05 0.00 0.61 0.00 0.00 0.00 173.10 175.00 1mg3 n GLY 281 N 1.69 0.70 0.00 0.20 0.00 0.02 -4.24 105.19 103.56 1mg3 n GLY 281 Ca -0.17 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.11 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 7.33 0.00 -2.78 1.61 -0.00 0.78 -4.39 117.44 120.00 1mg3 n TRP 282 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.50 57.06 1mg3 n TRP 282 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 31.31 31.31 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 0.00 4.04 0.40 5.87 -0.21 -1.19 -4.65 119.66 123.92 1mg3 s GLN 283 Ca 0.00 -2.31 0.21 0.00 0.02 0.00 0.00 55.36 53.28 1mg3 s GLN 283 Cb 0.00 -5.28 0.71 0.00 1.00 0.00 0.00 33.01 29.44 1mg3 s GLN 283 CO 0.00 -1.99 1.74 1.96 -2.12 0.00 0.00 175.29 174.88 1mg3 h GLN 284 N 7.36 0.00 -6.77 2.91 4.20 -1.81 -1.35 115.11 119.65 1mg3 h GLN 284 Ca 0.38 0.00 -0.68 0.00 0.06 0.00 0.00 58.65 58.41 1mg3 h GLN 284 Cb 0.87 0.00 -0.20 0.00 0.30 0.00 0.00 27.48 28.46 1mg3 h GLN 284 CO 1.34 0.31 -0.82 0.08 -0.67 0.00 0.00 178.83 179.07 1mg3 s VAL 285 N -3.54 2.64 0.07 -0.54 1.01 -1.26 -1.22 120.40 117.55 1mg3 s VAL 285 Ca 0.01 -1.62 -0.04 0.00 0.00 0.00 0.00 61.98 60.33 1mg3 s VAL 285 Cb 0.10 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 1mg3 s VAL 285 CO 0.67 0.08 0.07 0.00 0.00 0.00 0.00 175.10 175.91 1mg3 s ALA 286 N -1.16 0.23 -0.21 5.51 0.00 -0.74 -4.65 121.76 120.74 1mg3 s ALA 286 Ca 0.17 -0.98 -0.05 0.00 0.00 0.00 0.00 51.96 51.10 1mg3 s ALA 286 Cb -0.10 0.39 0.10 0.00 0.00 0.00 0.00 23.12 23.51 1mg3 s ALA 286 CO 0.09 -0.43 0.38 -0.47 0.00 0.00 0.00 175.76 175.33 1mg3 s TYR 287 N -3.90 -0.76 -0.27 0.00 5.04 -1.26 -1.46 117.35 114.74 1mg3 s TYR 287 Ca 0.07 1.18 -0.25 0.00 -2.44 0.00 0.00 57.07 55.63 1mg3 s TYR 287 Cb 0.07 0.15 0.00 0.00 0.35 0.00 0.00 41.96 42.53 1mg3 s TYR 287 CO -0.10 -0.56 0.87 -1.58 -1.34 0.00 0.00 175.55 172.85 1mg3 s HIS 288 N 2.56 3.27 0.02 4.97 5.65 -0.89 -4.94 115.29 125.93 1mg3 s HIS 288 Ca 0.04 1.10 -0.14 0.00 0.25 0.00 0.00 55.06 56.32 1mg3 s HIS 288 Cb -0.13 -3.19 -0.08 0.00 -1.18 0.00 0.00 32.58 28.00 1mg3 s HIS 288 CO -0.13 -0.49 1.19 -0.09 -0.65 0.00 0.00 174.74 174.56 1mg3 h ARG 289 N 7.81 -0.49 -0.95 2.88 2.43 -1.89 -1.27 114.38 122.89 1mg3 h ARG 289 Ca -0.23 0.03 0.23 0.00 -0.81 0.00 0.00 59.98 59.21 1mg3 h ARG 289 Cb 1.09 0.11 -0.12 0.00 -0.42 0.00 0.00 29.97 30.62 1mg3 h ARG 289 CO 0.91 -0.33 0.50 0.00 -1.51 0.00 0.00 179.97 179.54 1mg3 h ALA 290 N -1.76 1.63 -0.01 2.80 0.00 -1.94 0.13 119.26 120.11 1mg3 h ALA 290 Ca -0.05 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1mg3 h ALA 290 Cb 0.39 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1mg3 h ALA 290 CO 0.09 -0.30 -0.10 1.28 0.00 0.00 0.00 179.25 180.22 1mg3 n LEU 291 N -4.96 1.14 -4.10 0.00 4.77 -1.23 -4.95 117.00 107.67 1mg3 n LEU 291 Ca 0.25 -0.33 -0.34 0.00 -0.03 0.00 0.00 56.01 55.55 1mg3 n LEU 291 Cb 0.70 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.70 1mg3 n LEU 291 CO 0.15 0.20 -0.30 -0.67 -1.33 0.00 0.00 177.39 175.44 1mg3 n ASP 292 N -0.30 -1.36 -4.37 -1.43 2.03 0.44 -4.88 116.55 106.69 1mg3 n ASP 292 Ca 0.16 -1.20 -0.25 0.00 0.52 0.00 0.00 54.79 54.03 1mg3 n ASP 292 Cb 0.33 -2.14 -0.12 0.00 -0.72 0.00 0.00 41.12 38.48 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 -7.07 1.38 -0.09 -0.67 0.52 -1.09 -1.59 118.95 110.34 1mg3 s ARG 293 Ca 0.18 -1.43 0.03 0.00 -0.52 0.00 0.00 55.73 53.99 1mg3 s ARG 293 Cb -0.09 -1.61 -0.01 0.00 0.52 0.00 0.00 34.95 33.76 1mg3 s ARG 293 CO 0.95 0.34 -0.20 0.42 0.02 0.00 0.00 175.30 176.84 1mg3 s ILE 294 N -1.73 2.49 -0.15 1.52 1.01 -0.62 -2.11 121.20 121.62 1mg3 s ILE 294 Ca 0.17 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 59.92 1mg3 s ILE 294 Cb -0.07 -1.97 -0.01 0.00 0.01 0.00 0.00 42.46 40.41 1mg3 s ILE 294 CO 0.08 0.56 -0.11 -0.31 0.00 0.00 0.00 174.94 175.16 1mg3 s TYR 295 N 0.05 2.86 -0.03 3.97 1.51 -0.53 -1.97 117.35 123.20 1mg3 s TYR 295 Ca -0.08 -0.65 0.03 0.00 -1.01 0.00 0.00 57.07 55.36 1mg3 s TYR 295 Cb -0.15 -1.90 -0.00 0.00 -0.11 0.00 0.00 41.96 39.80 1mg3 s TYR 295 CO 0.05 -0.24 -0.13 -1.17 -1.11 0.00 0.00 175.55 172.95 1mg3 s LEU 296 N 0.52 1.89 -0.26 -1.29 2.96 -0.13 -1.78 118.68 120.58 1mg3 s LEU 296 Ca -0.07 -0.25 -0.27 0.00 -0.22 0.00 0.00 54.13 53.31 1mg3 s LEU 296 Cb -0.15 -0.72 0.01 0.00 0.50 0.00 0.00 46.19 45.83 1mg3 s LEU 296 CO 0.04 0.12 0.97 -0.76 -1.32 0.00 0.00 176.35 175.40 1mg3 s LEU 297 N 0.01 4.06 0.15 -0.68 1.43 -0.36 -1.41 118.68 121.88 1mg3 s LEU 297 Ca -0.01 1.16 -0.04 0.00 -1.03 0.00 0.00 54.13 54.21 1mg3 s LEU 297 Cb -0.09 -3.41 -0.03 0.00 0.03 0.00 0.00 46.19 42.70 1mg3 s LEU 297 CO 0.01 -0.67 0.15 0.68 0.23 0.00 0.00 176.35 176.75 1mg3 s VAL 298 N 3.17 0.08 -0.06 -1.59 -7.23 -0.70 -2.36 120.40 111.71 1mg3 s VAL 298 Ca 0.41 -1.71 -0.32 0.00 -1.81 0.00 0.00 61.98 58.56 1mg3 s VAL 298 Cb -0.14 -1.98 0.14 0.00 0.56 0.00 0.00 36.38 34.95 1mg3 s VAL 298 CO 0.09 -0.38 1.38 -0.62 -0.31 0.00 0.00 175.10 175.25 1mg3 s ASP 299 N -3.02 -0.02 0.00 4.85 -1.08 -1.10 -1.95 116.67 114.35 1mg3 s ASP 299 Ca 0.22 -0.06 -0.27 0.00 -0.52 0.00 0.00 52.55 51.91 1mg3 s ASP 299 Cb 0.06 0.07 -0.04 0.00 -1.46 0.00 0.00 42.92 41.55 1mg3 s ASP 299 CO 0.01 -0.13 0.87 -1.10 0.52 0.00 0.00 175.17 175.34 1mg3 s GLN 300 N -2.17 4.54 0.14 4.34 -0.21 -1.26 -1.27 119.66 123.77 1mg3 s GLN 300 Ca 0.16 1.22 -0.24 0.00 0.02 0.00 0.00 55.36 56.51 1mg3 s GLN 300 Cb 0.06 -3.43 0.07 0.00 1.00 0.00 0.00 33.01 30.71 1mg3 s GLN 300 CO -0.05 0.07 0.74 -0.98 -2.12 0.00 0.00 175.29 172.95 1mg3 s ARG 301 N 0.64 1.25 0.76 2.91 1.70 -0.30 -4.95 118.95 120.96 1mg3 s ARG 301 Ca 0.45 -0.55 -0.11 0.00 -0.47 0.00 0.00 55.73 55.05 1mg3 s ARG 301 Cb -0.20 0.52 0.05 0.00 -0.57 0.00 0.00 34.95 34.74 1mg3 s ARG 301 CO 0.25 -0.56 1.08 0.34 -1.08 0.00 0.00 175.30 175.33 1mg3 s ASP 302 N -2.74 4.79 0.09 -2.89 2.15 -1.26 -4.78 116.67 112.03 1mg3 s ASP 302 Ca 0.05 1.53 0.16 0.00 0.43 0.00 0.00 52.55 54.73 1mg3 s ASP 302 Cb -0.02 -2.31 0.70 0.00 -0.30 0.00 0.00 42.92 40.99 1mg3 s ASP 302 CO -0.06 -1.81 1.51 -1.84 -0.17 0.00 0.00 175.17 172.80 1mg3 n GLU 303 N -3.35 0.07 -1.18 4.34 0.28 -1.26 -3.02 120.64 116.51 1mg3 n GLU 303 Ca 0.08 0.34 -0.09 0.00 -0.16 0.00 0.00 57.16 57.32 1mg3 n GLU 303 Cb 0.55 -1.64 0.14 0.00 1.43 0.00 0.00 31.44 31.92 1mg3 n GLU 303 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 1mg3 n TRP 304 N -1.76 1.41 -1.91 -1.84 7.02 -1.26 -4.45 117.44 114.66 1mg3 n TRP 304 Ca 0.03 -1.87 -0.01 0.00 -1.02 0.00 0.00 57.50 54.62 1mg3 n TRP 304 Cb 0.17 -0.42 0.13 0.00 -2.42 0.00 0.00 31.31 28.76 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 -0.97 1.78 0.00 -0.99 5.12 -1.17 -4.85 116.66 115.58 1mg3 n ARG 305 Ca 0.34 -3.30 0.03 0.00 -1.93 0.00 0.00 57.85 52.99 1mg3 n ARG 305 Cb 0.88 -1.50 0.12 0.00 -1.16 0.00 0.00 32.46 30.80 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 -0.75 0.00 0.25 -1.55 1.44 -1.26 -2.30 115.22 111.05 1mg3 n HIS 306 Ca 0.22 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 56.00 1mg3 n HIS 306 Cb 0.83 -0.48 0.13 0.00 0.12 0.00 0.00 29.99 30.58 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 -1.48 1.85 -2.23 -1.40 5.02 -1.26 -0.80 118.16 117.85 1mg3 n LYS 307 Ca 0.01 -1.77 -0.32 0.00 -2.02 0.00 0.00 58.31 54.22 1mg3 n LYS 307 Cb 0.06 -1.32 -0.02 0.00 -0.02 0.00 0.00 35.03 33.73 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 -1.15 4.61 0.80 -0.18 -4.23 -0.97 -4.15 115.64 110.37 1mg3 s THR 308 Ca 0.24 1.06 -0.13 0.00 -1.18 0.00 0.00 61.69 61.68 1mg3 s THR 308 Cb 0.14 -3.78 0.08 0.00 1.34 0.00 0.00 72.50 70.29 1mg3 s THR 308 CO 0.20 -0.85 1.19 0.00 -0.54 0.00 0.00 174.62 174.63 1mg3 s ALA 309 N -2.81 1.86 0.20 3.99 0.00 -1.26 -2.07 121.76 121.67 1mg3 s ALA 309 Ca 0.57 0.79 0.10 0.00 0.00 0.00 0.00 51.96 53.42 1mg3 s ALA 309 Cb -0.10 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 1mg3 s ALA 309 CO 0.39 -2.25 -0.19 -1.12 0.00 0.00 0.00 175.76 172.60 1mg3 s SER 310 N -2.25 2.98 0.00 0.00 0.01 0.13 -4.83 113.70 109.74 1mg3 s SER 310 Ca 0.72 -0.93 0.08 0.00 1.31 0.00 0.00 55.95 57.13 1mg3 s SER 310 Cb -0.27 -0.20 0.17 0.00 0.21 0.00 0.00 66.02 65.93 1mg3 s SER 310 CO 0.51 -0.02 1.05 0.54 0.41 0.00 0.00 173.24 175.72 1mg3 n ARG 311 N -0.04 2.00 -4.18 12.44 1.74 -1.23 -0.63 116.66 126.76 1mg3 n ARG 311 Ca -0.10 -1.60 -0.11 0.00 -0.77 0.00 0.00 57.85 55.26 1mg3 n ARG 311 Cb 0.58 -1.18 -0.10 0.00 -1.02 0.00 0.00 32.46 30.74 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 -0.89 0.97 -0.03 -1.55 0.40 -0.82 -1.41 117.98 114.64 1mg3 s PHE 312 Ca 0.15 -0.87 -0.00 0.00 -0.60 0.00 0.00 56.93 55.60 1mg3 s PHE 312 Cb 0.08 -0.54 0.03 0.00 0.51 0.00 0.00 43.02 43.10 1mg3 s PHE 312 CO 0.11 -0.10 0.02 0.08 0.70 0.00 0.00 175.22 176.03 1mg3 s VAL 313 N -3.50 0.10 -0.07 -0.44 1.01 -0.86 -1.73 120.40 114.92 1mg3 s VAL 313 Ca 0.12 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1mg3 s VAL 313 Cb 0.04 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 36.16 1mg3 s VAL 313 CO -0.03 0.15 -0.04 0.68 0.00 0.00 0.00 175.10 175.85 1mg3 s VAL 314 N 1.27 3.91 -0.08 2.92 -7.23 -0.50 -0.21 120.40 120.48 1mg3 s VAL 314 Ca -0.06 -0.42 0.04 0.00 -1.81 0.00 0.00 61.98 59.73 1mg3 s VAL 314 Cb -0.13 -2.62 -0.01 0.00 0.56 0.00 0.00 36.38 34.18 1mg3 s VAL 314 CO -0.02 0.59 -0.23 -0.69 -0.31 0.00 0.00 175.10 174.44 1mg3 s VAL 315 N -0.85 2.24 0.15 1.32 1.01 -0.34 -0.96 120.40 122.98 1mg3 s VAL 315 Ca 0.13 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 1mg3 s VAL 315 Cb -0.11 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1mg3 s VAL 315 CO 0.02 0.56 0.09 -1.48 0.00 0.00 0.00 175.10 174.30 1mg3 s LEU 316 N 0.05 1.53 -0.31 3.92 2.34 -0.83 0.12 118.68 125.50 1mg3 s LEU 316 Ca -0.09 -1.24 -0.25 0.00 0.06 0.00 0.00 54.13 52.61 1mg3 s LEU 316 Cb -0.15 0.38 0.00 0.00 -0.56 0.00 0.00 46.19 45.86 1mg3 s LEU 316 CO 0.06 -0.77 0.85 -0.62 -1.06 0.00 0.00 176.35 174.80 1mg3 s ASP 317 N -3.08 6.72 0.61 1.48 -1.08 -0.35 -1.59 116.67 119.38 1mg3 s ASP 317 Ca 0.28 0.75 0.34 0.00 -0.52 0.00 0.00 52.55 53.40 1mg3 s ASP 317 Cb 0.07 -2.44 1.96 0.00 -1.46 0.00 0.00 42.92 41.05 1mg3 s ASP 317 CO 0.05 -0.67 2.27 0.00 0.52 0.00 0.00 175.17 177.34 1mg3 h ALA 318 N 8.10 1.35 0.17 3.66 0.00 -1.62 0.87 119.26 131.78 1mg3 h ALA 318 Ca -0.23 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.32 1mg3 h ALA 318 Cb 1.09 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1mg3 h ALA 318 CO 0.92 0.01 -1.71 -0.22 0.00 0.00 0.00 179.25 178.24 1mg3 h LYS 319 N 0.00 0.35 0.00 0.00 3.64 -1.92 -3.40 116.57 115.24 1mg3 h LYS 319 Ca -0.00 -0.60 -0.00 0.00 -1.27 0.00 0.00 60.65 58.78 1mg3 h LYS 319 Cb 0.04 0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1mg3 h LYS 319 CO 0.00 1.25 -1.56 0.25 -2.27 0.00 0.00 179.45 177.13 1mg3 n THR 320 N -3.54 0.01 -1.01 1.00 -2.24 -1.10 -4.99 114.28 102.40 1mg3 n THR 320 Ca -0.23 -0.28 -0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1mg3 n THR 320 Cb 1.07 0.21 -0.00 0.00 -2.10 0.00 0.00 70.33 69.51 1mg3 n THR 320 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mg3 n GLY 321 N 1.82 0.43 3.70 3.38 0.00 0.30 -4.99 105.19 109.82 1mg3 n GLY 321 Ca -0.02 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.73 4.41 0.07 1.61 2.12 -1.24 -4.75 118.70 119.19 1mg3 s GLU 322 Ca 0.00 1.05 -0.30 0.00 0.36 0.00 0.00 54.97 56.08 1mg3 s GLU 322 Cb 0.00 -3.50 -0.10 0.00 0.26 0.00 0.00 34.13 30.79 1mg3 s GLU 322 CO 0.00 -0.12 1.93 -2.13 -0.54 0.00 0.00 175.26 174.40 1mg3 n ARG 323 N 4.39 2.86 -0.02 4.30 3.00 -1.26 -1.21 116.66 128.72 1mg3 n ARG 323 Ca 0.03 1.05 0.07 0.00 -0.00 0.00 0.00 57.85 58.99 1mg3 n ARG 323 Cb 0.50 -2.98 -0.15 0.00 0.00 0.00 0.00 32.46 29.83 1mg3 n ARG 323 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1mg3 n LEU 324 N 6.85 0.00 0.00 6.15 4.77 0.33 -4.93 117.00 130.17 1mg3 n LEU 324 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1mg3 n LEU 324 Cb 0.40 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1mg3 n LEU 324 CO 0.67 0.06 0.00 0.00 -1.33 0.00 0.00 177.39 176.80 1mg3 n ALA 325 N -2.25 0.00 -3.54 -1.18 0.00 -0.80 -4.95 120.51 107.79 1mg3 n ALA 325 Ca -0.07 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.21 1mg3 n ALA 325 Cb 0.59 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.92 1mg3 n ALA 325 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1mg3 s LYS 326 N -2.00 0.18 0.04 0.00 2.20 -1.26 -1.20 119.74 117.69 1mg3 s LYS 326 Ca 0.00 0.42 -0.01 0.00 -0.36 0.00 0.00 55.97 56.03 1mg3 s LYS 326 Cb 0.00 -0.72 -0.04 0.00 -1.51 0.00 0.00 37.83 35.56 1mg3 s LYS 326 CO 0.00 -0.52 0.18 -0.06 -0.36 0.00 0.00 175.35 174.60 1mg3 s PHE 327 N 2.37 3.49 -0.95 4.03 0.08 0.71 -4.95 117.98 122.76 1mg3 s PHE 327 Ca 0.05 0.26 -0.07 0.00 0.12 0.00 0.00 56.93 57.30 1mg3 s PHE 327 Cb -0.14 -1.77 0.24 0.00 -0.57 0.00 0.00 43.02 40.78 1mg3 s PHE 327 CO -0.11 0.60 0.88 -1.21 -0.10 0.00 0.00 175.22 175.28 1mg3 s GLU 328 N -2.30 3.65 0.61 0.44 2.02 -1.26 -2.02 118.70 119.84 1mg3 s GLU 328 Ca 0.32 -3.04 0.23 0.00 0.02 0.00 0.00 54.97 52.50 1mg3 s GLU 328 Cb -0.13 -4.26 0.84 0.00 0.10 0.00 0.00 34.13 30.68 1mg3 s GLU 328 CO 0.24 -1.25 1.31 0.52 0.02 0.00 0.00 175.26 176.10 1mg3 h MET 329 N 6.68 0.00 0.00 1.61 2.86 -1.58 -3.45 114.93 121.05 1mg3 h MET 329 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1mg3 h MET 329 Cb 0.89 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.55 1mg3 h MET 329 CO 0.89 0.00 0.00 0.41 1.06 0.00 0.00 176.91 179.27 1mg3 n GLY 330 N -1.67 2.38 3.30 8.32 0.00 -1.26 -4.97 105.19 111.29 1mg3 n GLY 330 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.10 0.91 -0.47 1.61 3.76 -1.26 -5.10 115.29 111.64 1mg3 s HIS 331 Ca 0.00 -1.18 -0.29 0.00 -0.15 0.00 0.00 55.06 53.44 1mg3 s HIS 331 Cb 0.00 -0.35 0.02 0.00 1.11 0.00 0.00 32.58 33.36 1mg3 s HIS 331 CO 0.00 -0.72 1.26 -1.21 -0.85 0.00 0.00 174.74 173.22 1mg3 s GLU 332 N -4.11 3.62 -0.13 1.40 0.41 -1.26 -4.39 118.70 114.24 1mg3 s GLU 332 Ca 0.33 0.66 -0.03 0.00 -0.41 0.00 0.00 54.97 55.52 1mg3 s GLU 332 Cb 0.05 -3.97 -0.03 0.00 -1.78 0.00 0.00 34.13 28.40 1mg3 s GLU 332 CO 0.10 -1.52 -0.02 0.42 -0.49 0.00 0.00 175.26 173.75 1mg3 s ILE 333 N 4.96 4.08 -0.24 -1.63 -1.09 0.20 -4.47 121.20 123.00 1mg3 s ILE 333 Ca 0.53 -0.31 0.04 0.00 -2.23 0.00 0.00 60.65 58.68 1mg3 s ILE 333 Cb -0.10 -2.76 -0.19 0.00 -1.58 0.00 0.00 42.46 37.83 1mg3 s ILE 333 CO 0.31 0.53 -0.14 0.47 -1.23 0.00 0.00 174.94 174.88 1mg3 n ASP 334 N 3.05 1.65 -4.07 3.58 8.00 0.42 -0.70 116.55 128.49 1mg3 n ASP 334 Ca -0.18 -0.10 -0.09 0.00 0.71 0.00 0.00 54.79 55.14 1mg3 n ASP 334 Cb 0.53 -0.19 -0.10 0.00 -0.02 0.00 0.00 41.12 41.33 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 -6.37 0.59 0.10 -2.24 0.01 -0.79 -0.15 113.70 104.85 1mg3 s SER 335 Ca -0.30 -0.79 -0.04 0.00 1.31 0.00 0.00 55.95 56.13 1mg3 s SER 335 Cb 0.08 0.13 -0.03 0.00 0.21 0.00 0.00 66.02 66.42 1mg3 s SER 335 CO 0.65 -0.43 0.08 0.27 0.41 0.00 0.00 173.24 174.22 1mg3 s ILE 336 N -2.80 0.15 -0.01 1.44 -4.36 -0.51 -0.44 121.20 114.67 1mg3 s ILE 336 Ca -0.01 -1.65 -0.30 0.00 -0.26 0.00 0.00 60.65 58.43 1mg3 s ILE 336 Cb -0.00 -1.67 0.11 0.00 1.25 0.00 0.00 42.46 42.15 1mg3 s ILE 336 CO -0.05 -0.68 1.16 0.21 0.24 0.00 0.00 174.94 175.81 1mg3 s ASN 337 N -2.95 -0.13 0.26 4.36 3.84 -0.99 -4.65 114.94 114.68 1mg3 s ASN 337 Ca 0.13 -0.15 0.02 0.00 0.21 0.00 0.00 52.86 53.06 1mg3 s ASN 337 Cb 0.07 0.25 -0.05 0.00 -0.55 0.00 0.00 41.25 40.97 1mg3 s ASN 337 CO -0.06 -0.45 0.06 0.68 -2.79 0.00 0.00 177.10 174.54 1mg3 s VAL 338 N -2.69 0.78 0.44 -5.21 -7.23 -1.26 0.58 120.40 105.81 1mg3 s VAL 338 Ca 0.12 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.21 1mg3 s VAL 338 Cb 0.02 -2.59 -0.05 0.00 0.56 0.00 0.00 36.38 34.32 1mg3 s VAL 338 CO -0.03 -0.09 0.76 -0.94 -0.31 0.00 0.00 175.10 174.50 1mg3 s SER 339 N -3.34 6.37 0.00 4.85 1.04 -0.82 -4.85 113.70 116.95 1mg3 s SER 339 Ca 0.35 0.99 0.24 0.00 0.48 0.00 0.00 55.95 58.01 1mg3 s SER 339 Cb 0.08 -2.27 0.31 0.00 0.10 0.00 0.00 66.02 64.24 1mg3 s SER 339 CO 0.13 -0.49 1.30 0.00 0.98 0.00 0.00 173.24 175.16 1mg3 n GLN 340 N -1.83 1.61 -1.06 4.02 1.13 -1.26 -4.57 117.38 115.41 1mg3 n GLN 340 Ca 0.01 -1.24 -0.30 0.00 -1.94 0.00 0.00 57.00 53.53 1mg3 n GLN 340 Cb 0.55 -1.47 0.23 0.00 0.11 0.00 0.00 30.24 29.65 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 -2.25 1.18 0.10 1.08 3.84 -1.26 -4.72 116.67 114.64 1mg3 s ASP 341 Ca 0.25 0.77 -0.26 0.00 -0.00 0.00 0.00 52.55 53.31 1mg3 s ASP 341 Cb 0.19 -1.12 -0.09 0.00 -1.38 0.00 0.00 42.92 40.52 1mg3 s ASP 341 CO 0.44 -3.98 1.44 -0.08 -0.00 0.00 0.00 175.17 172.98 1mg3 h GLU 342 N -2.48 -0.31 -3.36 2.11 4.81 -2.02 -3.18 114.58 110.15 1mg3 h GLU 342 Ca -0.47 0.02 -0.71 0.00 -0.13 0.00 0.00 59.36 58.07 1mg3 h GLU 342 Cb 1.31 0.07 -0.35 0.00 0.63 0.00 0.00 28.75 30.41 1mg3 h GLU 342 CO 0.39 -0.21 -0.13 0.15 -0.73 0.00 0.00 179.01 178.49 1mg3 s LYS 343 N -5.10 3.19 0.75 1.92 3.01 -1.26 -5.01 119.74 117.23 1mg3 s LYS 343 Ca -0.11 -3.16 -0.15 0.00 -1.01 0.00 0.00 55.97 51.54 1mg3 s LYS 343 Cb 0.07 -3.94 0.05 0.00 -1.01 0.00 0.00 37.83 33.00 1mg3 s LYS 343 CO 0.49 -1.25 1.21 -1.25 0.51 0.00 0.00 175.35 175.06 1mg3 s PRO 344 N -1.15 2.02 -0.06 -1.68 0.04 -1.20 -4.93 135.00 128.05 1mg3 s PRO 344 Ca 0.26 1.78 -0.06 0.00 0.04 0.00 0.00 61.00 63.01 1mg3 s PRO 344 Cb -0.09 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 1mg3 s PRO 344 CO -0.11 -1.93 0.20 -0.51 0.04 0.00 0.00 177.00 174.69 1mg3 s LEU 345 N -5.26 4.39 -0.44 -3.56 1.02 -1.26 -1.97 118.68 111.60 1mg3 s LEU 345 Ca 0.74 0.50 -0.15 0.00 0.02 0.00 0.00 54.13 55.24 1mg3 s LEU 345 Cb -0.30 -2.37 0.05 0.00 0.02 0.00 0.00 46.19 43.60 1mg3 s LEU 345 CO 0.46 0.34 0.35 -0.22 0.02 0.00 0.00 176.35 177.30 1mg3 s LEU 346 N -1.40 5.37 -0.07 1.79 0.20 -0.45 -1.94 118.68 122.18 1mg3 s LEU 346 Ca 0.21 -1.15 -0.29 0.00 0.69 0.00 0.00 54.13 53.60 1mg3 s LEU 346 Cb -0.13 -2.16 -0.02 0.00 -0.43 0.00 0.00 46.19 43.45 1mg3 s LEU 346 CO 0.11 -0.55 0.95 -0.31 -0.29 0.00 0.00 176.35 176.26 1mg3 s TYR 347 N 1.65 3.57 -0.30 5.38 2.02 0.20 -1.34 117.35 128.52 1mg3 s TYR 347 Ca 0.04 1.57 0.03 0.00 -0.37 0.00 0.00 57.07 58.34 1mg3 s TYR 347 Cb -0.22 -3.11 0.09 0.00 -0.40 0.00 0.00 41.96 38.32 1mg3 s TYR 347 CO 0.08 -0.11 0.01 0.00 -1.57 0.00 0.00 175.55 173.96 1mg3 s ALA 348 N 1.51 2.49 -0.15 3.71 0.00 0.11 -2.35 121.76 127.09 1mg3 s ALA 348 Ca 0.48 -2.08 -0.11 0.00 0.00 0.00 0.00 51.96 50.25 1mg3 s ALA 348 Cb -0.19 -1.76 -0.05 0.00 0.00 0.00 0.00 23.12 21.12 1mg3 s ALA 348 CO 0.21 -1.52 0.22 -1.17 0.00 0.00 0.00 175.76 173.51 1mg3 s LEU 349 N 1.12 4.29 -0.24 0.00 2.96 0.41 0.51 118.68 127.74 1mg3 s LEU 349 Ca 0.04 0.46 -0.02 0.00 -0.22 0.00 0.00 54.13 54.40 1mg3 s LEU 349 Cb -0.19 -2.24 0.01 0.00 0.50 0.00 0.00 46.19 44.28 1mg3 s LEU 349 CO -0.10 0.22 -0.06 -0.55 -1.32 0.00 0.00 176.35 174.54 1mg3 s SER 350 N -0.09 4.22 0.33 3.68 0.15 -0.19 -0.43 113.70 121.36 1mg3 s SER 350 Ca 0.14 -0.70 0.09 0.00 0.70 0.00 0.00 55.95 56.18 1mg3 s SER 350 Cb -0.13 -1.68 0.58 0.00 -1.71 0.00 0.00 66.02 63.09 1mg3 s SER 350 CO 0.03 -0.09 1.76 0.74 1.20 0.00 0.00 173.24 176.89 1mg3 h THR 351 N 5.98 1.29 0.13 6.45 2.02 -1.83 0.90 112.91 127.84 1mg3 h THR 351 Ca -0.37 -1.37 -0.30 0.00 0.77 0.00 0.00 66.41 65.14 1mg3 h THR 351 Cb 1.13 1.64 0.03 0.00 -1.74 0.00 0.00 68.15 69.21 1mg3 h THR 351 CO 0.59 0.40 -1.26 1.23 0.37 0.00 0.00 175.52 176.86 1mg3 h GLY 352 N 1.15 0.67 0.20 2.16 0.00 -1.88 -3.24 103.07 102.13 1mg3 h GLY 352 Ca 0.01 -1.42 0.00 0.00 0.00 0.00 0.00 47.33 45.92 1mg3 h GLY 352 CO 0.05 1.25 -0.11 1.22 0.00 0.00 0.00 176.54 178.95 1mg3 n ASP 353 N -3.77 0.98 -4.30 0.19 8.00 -1.18 -4.91 116.55 111.56 1mg3 n ASP 353 Ca -0.13 -1.04 -0.36 0.00 0.71 0.00 0.00 54.79 53.96 1mg3 n ASP 353 Cb 0.99 0.03 -0.05 0.00 -0.02 0.00 0.00 41.12 42.07 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 -0.45 -2.09 -4.20 -1.24 5.02 0.29 -4.55 118.16 110.93 1mg3 n LYS 354 Ca 0.16 0.26 -0.17 0.00 -2.02 0.00 0.00 58.31 56.55 1mg3 n LYS 354 Cb 0.31 -4.68 -0.13 0.00 -0.02 0.00 0.00 35.03 30.52 1mg3 n LYS 354 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1mg3 s THR 355 N -3.53 0.78 -0.27 -0.18 2.01 -1.05 -0.89 115.64 112.50 1mg3 s THR 355 Ca 0.56 -0.90 -0.07 0.00 0.31 0.00 0.00 61.69 61.60 1mg3 s THR 355 Cb -0.32 -0.75 -0.00 0.00 0.01 0.00 0.00 72.50 71.44 1mg3 s THR 355 CO 0.97 -0.12 0.06 -0.22 -0.69 0.00 0.00 174.62 174.62 1mg3 s LEU 356 N -1.13 3.62 -0.16 4.42 2.96 0.63 -1.02 118.68 128.00 1mg3 s LEU 356 Ca -0.03 -0.52 -0.13 0.00 -0.22 0.00 0.00 54.13 53.23 1mg3 s LEU 356 Cb -0.08 -1.88 -0.05 0.00 0.50 0.00 0.00 46.19 44.69 1mg3 s LEU 356 CO 0.01 -0.13 0.26 -0.31 -1.32 0.00 0.00 176.35 174.86 1mg3 s TYR 357 N 1.53 3.46 -0.26 5.38 1.51 0.18 -1.05 117.35 128.10 1mg3 s TYR 357 Ca 0.04 0.55 -0.06 0.00 -1.01 0.00 0.00 57.07 56.59 1mg3 s TYR 357 Cb -0.16 -2.30 -0.01 0.00 -0.11 0.00 0.00 41.96 39.38 1mg3 s TYR 357 CO 0.02 0.27 0.03 0.42 -1.11 0.00 0.00 175.55 175.18 1mg3 s ILE 358 N 0.39 3.86 0.44 2.71 1.01 0.17 0.08 121.20 129.86 1mg3 s ILE 358 Ca 0.15 -0.48 0.07 0.00 0.00 0.00 0.00 60.65 60.39 1mg3 s ILE 358 Cb -0.13 -2.86 -0.03 0.00 0.01 0.00 0.00 42.46 39.45 1mg3 s ILE 358 CO 0.03 0.27 0.23 -1.00 0.00 0.00 0.00 174.94 174.46 1mg3 s HIS 359 N 1.52 2.40 -0.38 3.97 3.76 -0.45 0.20 115.29 126.31 1mg3 s HIS 359 Ca 0.05 -0.65 -0.17 0.00 -0.15 0.00 0.00 55.06 54.14 1mg3 s HIS 359 Cb -0.16 -1.95 0.00 0.00 1.11 0.00 0.00 32.58 31.59 1mg3 s HIS 359 CO 0.01 0.04 0.45 0.34 -0.85 0.00 0.00 174.74 174.73 1mg3 s ASP 360 N -3.99 6.23 0.62 1.40 2.15 -0.09 -1.34 116.67 121.66 1mg3 s ASP 360 Ca 0.38 -0.33 0.30 0.00 0.43 0.00 0.00 52.55 53.33 1mg3 s ASP 360 Cb 0.02 -2.23 1.60 0.00 -0.30 0.00 0.00 42.92 42.00 1mg3 s ASP 360 CO 0.21 -0.49 1.96 0.00 -0.17 0.00 0.00 175.17 176.68 1mg3 h ALA 361 N 8.58 1.76 0.10 3.66 0.00 -1.68 1.13 119.26 132.81 1mg3 h ALA 361 Ca -0.28 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1mg3 h ALA 361 Cb 1.12 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1mg3 h ALA 361 CO 0.76 -0.47 -0.05 1.49 0.00 0.00 0.00 179.25 180.99 1mg3 h GLU 362 N 0.00 -0.13 0.03 0.00 4.57 -1.92 -3.39 114.58 113.73 1mg3 h GLU 362 Ca 0.10 0.01 -0.29 0.00 -1.18 0.00 0.00 59.36 58.01 1mg3 h GLU 362 Cb 0.81 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.39 1mg3 h GLU 362 CO -0.00 0.09 -1.60 0.66 -1.18 0.00 0.00 179.01 176.98 1mg3 h SER 363 N -1.01 0.09 0.00 1.04 4.64 -1.90 -3.48 113.55 112.93 1mg3 h SER 363 Ca -0.01 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1mg3 h SER 363 Cb 0.27 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1mg3 h SER 363 CO 0.02 1.14 0.00 0.61 -0.87 0.00 0.00 176.83 177.74 1mg3 n GLY 364 N 1.58 3.09 3.54 -0.77 0.00 0.39 -4.94 105.19 108.07 1mg3 n GLY 364 Ca -0.15 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.35 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 0.79 -2.58 1.61 2.13 -1.25 -4.31 120.64 115.02 1mg3 n GLU 365 Ca 0.00 0.28 -0.42 0.00 0.66 0.00 0.00 57.16 57.68 1mg3 n GLU 365 Cb 0.00 -1.74 -0.03 0.00 0.27 0.00 0.00 31.44 29.94 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 -0.27 4.49 -0.24 5.31 2.12 -1.26 -0.91 118.70 127.95 1mg3 s GLU 366 Ca 0.77 1.57 -0.02 0.00 0.36 0.00 0.00 54.97 57.65 1mg3 s GLU 366 Cb -0.96 -3.42 -0.14 0.00 0.26 0.00 0.00 34.13 29.87 1mg3 s GLU 366 CO 0.53 -0.16 -0.24 1.28 -0.54 0.00 0.00 175.26 176.13 1mg3 n LEU 367 N 4.01 2.67 -3.83 2.70 4.32 0.13 -4.95 117.00 122.06 1mg3 n LEU 367 Ca 0.07 -0.02 -0.05 0.00 -0.02 0.00 0.00 56.01 55.99 1mg3 n LEU 367 Cb 0.49 -0.80 0.01 0.00 -1.62 0.00 0.00 43.42 41.50 1mg3 n LEU 367 CO 0.54 0.80 0.67 0.00 -1.22 0.00 0.00 177.39 178.17 1mg3 s ARG 368 N -2.46 1.64 0.14 3.23 1.70 -0.90 -5.00 118.95 117.29 1mg3 s ARG 368 Ca -0.32 -1.01 -0.09 0.00 -0.47 0.00 0.00 55.73 53.83 1mg3 s ARG 368 Cb 0.09 0.48 -0.00 0.00 -0.57 0.00 0.00 34.95 34.95 1mg3 s ARG 368 CO 0.51 -0.76 0.26 -1.54 -1.08 0.00 0.00 175.30 172.69 1mg3 s SER 369 N -3.15 0.05 -0.12 -2.89 1.04 -1.26 0.43 113.70 107.81 1mg3 s SER 369 Ca 0.17 -0.78 -0.02 0.00 0.48 0.00 0.00 55.95 55.79 1mg3 s SER 369 Cb -0.04 0.41 0.04 0.00 0.10 0.00 0.00 66.02 66.53 1mg3 s SER 369 CO 0.07 -0.84 0.03 -0.69 0.98 0.00 0.00 173.24 172.78 1mg3 s VAL 370 N -3.93 0.31 0.13 5.02 1.01 -0.22 -4.81 120.40 117.91 1mg3 s VAL 370 Ca 0.13 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1mg3 s VAL 370 Cb 0.04 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.79 1mg3 s VAL 370 CO -0.04 0.05 0.15 -0.46 0.00 0.00 0.00 175.10 174.80 1mg3 n ASN 371 N 5.15 0.77 -3.91 3.32 0.23 -1.26 -0.26 115.26 119.29 1mg3 n ASN 371 Ca -0.07 -1.37 -0.30 0.00 -0.53 0.00 0.00 54.58 52.31 1mg3 n ASN 371 Cb 0.49 -0.07 0.03 0.00 -2.08 0.00 0.00 39.78 38.15 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 -1.12 -5.48 -2.99 -3.83 6.02 -1.00 -4.89 117.38 104.11 1mg3 n GLN 372 Ca 0.02 0.60 -0.44 0.00 -0.01 0.00 0.00 57.00 57.17 1mg3 n GLN 372 Cb 0.13 -5.47 0.00 0.00 1.02 0.00 0.00 30.24 25.93 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 -4.67 5.90 0.00 1.08 4.32 -0.07 -4.99 117.00 118.57 1mg3 n LEU 373 Ca 0.03 -4.89 0.00 0.00 -0.02 0.00 0.00 56.01 51.13 1mg3 n LEU 373 Cb 0.53 -1.46 0.00 0.00 -1.62 0.00 0.00 43.42 40.88 1mg3 n LEU 373 CO 0.75 1.31 0.00 0.61 -1.22 0.00 0.00 177.39 178.84 1mg3 n GLY 374 N 2.65 -1.47 0.06 -0.72 0.00 -1.26 -3.88 105.19 100.57 1mg3 n GLY 374 Ca 0.30 -1.30 -0.04 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.01 0.00 -2.81 1.61 8.25 -1.26 -4.80 115.22 116.20 1mg3 n HIS 375 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 1mg3 n HIS 375 Cb 0.00 -0.72 0.06 0.00 1.12 0.00 0.00 29.99 30.45 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 1.89 0.99 3.69 -1.41 0.00 -1.26 -4.90 105.19 104.19 1mg3 n GLY 376 Ca -0.22 -0.24 -0.44 0.00 0.00 0.00 0.00 46.02 45.12 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 0.60 2.30 0.00 1.61 -0.04 -1.25 -3.78 135.00 134.44 1mg3 n PRO 377 Ca 0.10 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.38 1mg3 n PRO 377 Cb 0.68 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 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 2.47 0.84 -4.10 0.54 6.02 -0.60 -3.72 117.38 118.83 1mg3 n GLN 378 Ca 0.12 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.76 1mg3 n GLN 378 Cb 0.33 -0.64 -0.12 0.00 1.02 0.00 0.00 30.24 30.83 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 -1.28 4.19 -0.14 5.09 1.01 -1.01 -4.63 120.40 123.63 1mg3 s VAL 379 Ca 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 1mg3 s VAL 379 Cb 0.00 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 1mg3 s VAL 379 CO 0.00 0.44 -0.04 -0.63 0.00 0.00 0.00 175.10 174.87 1mg3 s ILE 380 N 0.76 3.86 -0.00 2.22 1.01 -1.26 -0.40 121.20 127.40 1mg3 s ILE 380 Ca 0.01 -0.38 -0.00 0.00 0.00 0.00 0.00 60.65 60.28 1mg3 s ILE 380 Cb -0.14 -2.67 0.00 0.00 0.01 0.00 0.00 42.46 39.66 1mg3 s ILE 380 CO 0.02 0.52 0.00 -0.89 0.00 0.00 0.00 174.94 174.59 1mg3 s THR 381 N 0.12 0.00 0.27 2.92 2.01 0.39 -4.94 115.64 116.41 1mg3 s THR 381 Ca -0.01 -0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.00 1mg3 s THR 381 Cb -0.14 -0.02 -0.04 0.00 0.01 0.00 0.00 72.50 72.31 1mg3 s THR 381 CO 0.03 -0.00 0.14 0.42 -0.69 0.00 0.00 174.62 174.51 1mg3 s THR 382 N -0.01 0.34 0.01 -0.82 -4.23 -1.26 0.01 115.64 109.68 1mg3 s THR 382 Ca -0.00 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.56 1mg3 s THR 382 Cb -0.00 -2.55 -0.03 0.00 1.34 0.00 0.00 72.50 71.26 1mg3 s THR 382 CO -0.00 0.00 -0.12 0.00 -0.54 0.00 0.00 174.62 173.96 1mg3 s ALA 383 N -3.75 2.81 -1.12 3.99 0.00 -1.26 -4.91 121.76 117.52 1mg3 s ALA 383 Ca 0.37 -1.08 -0.06 0.00 0.00 0.00 0.00 51.96 51.19 1mg3 s ALA 383 Cb 0.06 -0.96 0.28 0.00 0.00 0.00 0.00 23.12 22.50 1mg3 s ALA 383 CO 0.16 0.59 1.43 -3.47 0.00 0.00 0.00 175.76 174.47 1mg3 n ASP 384 N 1.65 6.00 -4.56 0.00 -0.08 -1.22 -4.55 116.55 113.78 1mg3 n ASP 384 Ca -0.16 -3.26 -0.29 0.00 -1.51 0.00 0.00 54.79 49.57 1mg3 n ASP 384 Cb 0.52 -1.34 0.18 0.00 2.34 0.00 0.00 41.12 42.82 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 -1.87 0.33 0.00 -0.67 -1.94 -0.99 -4.59 119.30 109.56 1mg3 s MET 385 Ca 0.32 0.32 0.00 0.00 -1.71 0.00 0.00 55.69 54.62 1mg3 s MET 385 Cb 0.01 -1.74 0.00 0.00 2.01 0.00 0.00 34.83 35.11 1mg3 s MET 385 CO 0.04 -2.75 0.00 0.41 -0.01 0.00 0.00 175.02 172.71