#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3men s MET 1 N 0.00 3.87 -0.09 4.33 0.00 -1.26 -4.77 119.30 121.38 3men s MET 1 Ca 0.00 0.37 -0.38 0.00 0.00 0.00 0.00 55.69 55.68 3men s MET 1 Cb 0.00 -2.68 -0.16 0.00 0.00 0.00 0.00 34.83 31.99 3men s MET 1 CO 0.00 0.33 1.57 1.28 0.00 0.00 0.00 175.02 178.20 3men n LEU 2 N 0.03 2.18 -4.39 0.18 4.32 -1.26 -4.01 117.00 114.06 3men n LEU 2 Ca -0.00 1.09 -0.33 0.00 -0.02 0.00 0.00 56.01 56.75 3men n LEU 2 Cb 0.52 -1.19 -0.14 0.00 -1.62 0.00 0.00 43.42 40.99 3men n LEU 2 CO 0.44 -0.66 -0.45 -0.89 -1.22 0.00 0.00 177.39 174.61 3men s THR 3 N 2.13 3.05 -0.10 -5.08 2.01 -0.56 -0.24 115.64 116.85 3men s THR 3 Ca 0.91 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 62.26 3men s THR 3 Cb -0.97 -2.27 -0.01 0.00 0.01 0.00 0.00 72.50 69.26 3men s THR 3 CO 0.55 0.54 -0.17 -0.31 -0.69 0.00 0.00 174.62 174.54 3men s TYR 4 N 0.17 2.70 -0.28 4.92 2.02 -0.58 0.56 117.35 126.86 3men s TYR 4 Ca -0.07 -0.61 -0.17 0.00 -0.37 0.00 0.00 57.07 55.84 3men s TYR 4 Cb -0.15 -1.75 0.08 0.00 -0.40 0.00 0.00 41.96 39.74 3men s TYR 4 CO 0.05 -0.16 0.69 0.12 -1.57 0.00 0.00 175.55 174.68 3men s PHE 5 N 0.05 -1.02 -0.15 2.71 5.36 -1.08 -1.24 117.98 122.61 3men s PHE 5 Ca -0.06 2.10 -0.04 0.00 -0.96 0.00 0.00 56.93 57.96 3men s PHE 5 Cb -0.15 0.58 -0.03 0.00 -0.34 0.00 0.00 43.02 43.08 3men s PHE 5 CO 0.05 -0.51 0.00 -1.58 -1.46 0.00 0.00 175.22 171.73 3men s HIS 6 N 1.46 3.13 0.46 10.12 5.65 -1.26 -3.83 115.29 131.02 3men s HIS 6 Ca -0.09 -0.06 0.11 0.00 0.25 0.00 0.00 55.06 55.27 3men s HIS 6 Cb -0.05 -1.96 1.03 0.00 -1.18 0.00 0.00 32.58 30.42 3men s HIS 6 CO -0.17 0.15 2.09 -1.00 -0.65 0.00 0.00 174.74 175.16 3men h PRO 7 N 6.33 0.30 -0.16 2.88 0.13 -2.00 -0.49 132.00 138.99 3men h PRO 7 Ca -0.38 -0.02 0.05 0.00 -0.87 0.00 0.00 66.00 64.78 3men h PRO 7 Cb 1.18 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 3men h PRO 7 CO 0.63 0.21 0.52 -0.44 -0.23 0.00 0.00 178.00 178.69 3men h ASP 8 N 0.31 0.00 0.48 1.44 5.19 -1.96 -2.15 116.42 119.74 3men h ASP 8 Ca 0.08 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.47 3men h ASP 8 Cb -0.02 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.49 3men h ASP 8 CO -0.02 0.00 -0.13 1.56 -3.12 0.00 0.00 179.24 177.53 3men h GLN 9 N 0.00 0.00 0.00 3.56 4.20 -1.34 -1.90 115.11 119.63 3men h GLN 9 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3men h GLN 9 Cb 1.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.90 3men h GLN 9 CO -0.00 0.13 0.00 0.43 -0.67 0.00 0.00 178.83 178.72 3men n SER 10 N -3.55 0.45 0.21 1.46 7.64 -0.81 -3.84 113.62 115.18 3men n SER 10 Ca -0.01 0.55 0.05 0.00 1.01 0.00 0.00 58.87 60.46 3men n SER 10 Cb 0.27 -0.67 0.45 0.00 -1.01 0.00 0.00 64.21 63.26 3men n SER 10 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3men h LEU 11 N 0.00 0.00 -9.40 -3.43 3.38 -1.52 -3.43 115.31 100.92 3men h LEU 11 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 3men h LEU 11 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3men h LEU 11 CO 0.00 0.26 0.69 -2.28 0.09 0.00 0.00 178.44 177.20 3men s HIS 12 N -4.40 3.19 -0.44 1.13 2.46 -1.25 -4.70 115.29 111.28 3men s HIS 12 Ca -0.03 1.13 0.02 0.00 0.47 0.00 0.00 55.06 56.65 3men s HIS 12 Cb 0.15 -3.50 0.23 0.00 -0.13 0.00 0.00 32.58 29.33 3men s HIS 12 CO 0.70 -1.65 0.95 -2.39 -2.47 0.00 0.00 174.74 169.88 3men n HIS 13 N 4.76 -2.48 -2.30 3.88 1.44 -1.26 -4.60 115.22 114.65 3men n HIS 13 Ca 0.11 -1.24 -0.33 0.00 -2.01 0.00 0.00 57.72 54.25 3men n HIS 13 Cb 0.45 1.37 -0.02 0.00 0.12 0.00 0.00 29.99 31.92 3men n HIS 13 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 3men s PRO 14 N 0.68 3.62 0.10 -1.40 0.05 -1.26 -4.96 135.00 131.83 3men s PRO 14 Ca 0.29 1.21 0.22 0.00 0.05 0.00 0.00 61.00 62.77 3men s PRO 14 Cb 0.14 -2.08 -0.13 0.00 0.05 0.00 0.00 34.50 32.48 3men s PRO 14 CO -0.14 -0.56 0.80 0.54 0.05 0.00 0.00 177.00 177.70 3men n ARG 15 N -1.54 0.63 -3.41 4.56 5.12 -1.26 -4.82 116.66 115.94 3men n ARG 15 Ca 0.08 0.02 -0.40 0.00 -1.93 0.00 0.00 57.85 55.63 3men n ARG 15 Cb 0.53 -1.71 -0.09 0.00 -1.16 0.00 0.00 32.46 30.02 3men n ARG 15 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3men s THR 16 N -3.34 5.18 -0.06 0.55 2.01 -1.26 -4.49 115.64 114.22 3men s THR 16 Ca -0.04 0.26 -0.04 0.00 0.31 0.00 0.00 61.69 62.19 3men s THR 16 Cb 0.11 -3.75 0.02 0.00 0.01 0.00 0.00 72.50 68.89 3men s THR 16 CO 0.83 0.03 0.14 -0.31 -0.69 0.00 0.00 174.62 174.62 3men s TYR 17 N 2.03 -0.15 -0.16 4.92 2.02 -1.26 -4.53 117.35 120.22 3men s TYR 17 Ca 0.13 0.41 0.00 0.00 -0.37 0.00 0.00 57.07 57.24 3men s TYR 17 Cb -0.16 -0.00 0.03 0.00 -0.40 0.00 0.00 41.96 41.42 3men s TYR 17 CO 0.11 -0.11 -0.13 0.12 -1.57 0.00 0.00 175.55 173.97 3men s PHE 18 N 0.51 2.18 -0.00 2.71 5.36 -0.77 -0.39 117.98 127.57 3men s PHE 18 Ca -0.04 -1.27 -0.16 0.00 -0.96 0.00 0.00 56.93 54.50 3men s PHE 18 Cb -0.05 -1.58 0.03 0.00 -0.34 0.00 0.00 43.02 41.07 3men s PHE 18 CO -0.02 -0.68 0.34 0.45 -1.46 0.00 0.00 175.22 173.85 3men s SER 19 N 1.48 -0.22 -0.12 6.13 0.15 -0.11 -4.07 113.70 116.94 3men s SER 19 Ca 0.04 0.08 -0.04 0.00 0.70 0.00 0.00 55.95 56.72 3men s SER 19 Cb -0.14 0.34 0.01 0.00 -1.71 0.00 0.00 66.02 64.52 3men s SER 19 CO -0.10 -0.50 0.12 0.54 1.20 0.00 0.00 173.24 174.49 3men n ARG 20 N 1.08 -0.32 0.00 5.44 1.74 -1.26 -1.13 116.66 122.20 3men n ARG 20 Ca -0.21 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3men n ARG 20 Cb 0.57 -0.39 0.00 0.00 -1.02 0.00 0.00 32.46 31.62 3men n ARG 20 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3men n GLY 21 N -0.38 2.88 3.14 -0.13 0.00 -1.26 -4.97 105.19 104.46 3men n GLY 21 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 3men n GLY 21 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3men s ARG 22 N -0.04 0.75 0.44 1.61 1.70 -0.29 -5.13 118.95 117.99 3men s ARG 22 Ca 0.00 -1.28 -0.24 0.00 -0.47 0.00 0.00 55.73 53.74 3men s ARG 22 Cb 0.00 -0.05 -0.08 0.00 -0.57 0.00 0.00 34.95 34.25 3men s ARG 22 CO 0.00 -0.05 1.21 -1.64 -1.08 0.00 0.00 175.30 173.74 3men s MET 23 N -3.82 3.84 0.11 3.89 -1.94 -1.26 -0.93 119.30 119.19 3men s MET 23 Ca 0.10 1.91 0.00 0.00 -1.71 0.00 0.00 55.69 55.99 3men s MET 23 Cb 0.06 -2.55 -0.04 0.00 2.01 0.00 0.00 34.83 34.31 3men s MET 23 CO -0.07 -0.52 -0.01 1.03 -0.01 0.00 0.00 175.02 175.45 3men s ARG 24 N -2.49 0.86 0.12 2.03 0.52 0.47 -4.92 118.95 115.54 3men s ARG 24 Ca 0.61 -1.38 -0.30 0.00 -0.52 0.00 0.00 55.73 54.14 3men s ARG 24 Cb -0.32 -0.01 -0.07 0.00 0.52 0.00 0.00 34.95 35.07 3men s ARG 24 CO 0.40 -0.12 1.21 0.00 0.02 0.00 0.00 175.30 176.80 3men s MET 25 N -3.93 4.45 0.53 3.54 0.00 -1.26 -3.99 119.30 118.65 3men s MET 25 Ca 0.16 1.83 -0.20 0.00 0.00 0.00 0.00 55.69 57.49 3men s MET 25 Cb 0.07 -3.30 -0.08 0.00 0.00 0.00 0.00 34.83 31.52 3men s MET 25 CO -0.03 -0.19 0.73 -0.35 0.00 0.00 0.00 175.02 175.19 3men n PRO 26 N 3.32 0.78 0.00 3.16 -0.04 -1.26 -4.94 135.00 136.02 3men n PRO 26 Ca 0.07 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 3men n PRO 26 Cb 0.45 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 3men n PRO 26 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3men n GLN 27 N -0.19 2.85 -2.50 0.54 6.02 -1.26 -4.84 117.38 118.01 3men n GLN 27 Ca 0.12 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.68 3men n GLN 27 Cb 0.45 -0.96 0.00 0.00 1.02 0.00 0.00 30.24 30.75 3men n GLN 27 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3men n GLU 28 N -1.76 3.56 -3.95 -1.09 0.00 -1.26 -4.88 120.64 111.25 3men n GLU 28 Ca 0.00 -3.61 -0.28 0.00 0.00 0.00 0.00 57.16 53.26 3men n GLU 28 Cb 0.34 -2.96 -0.04 0.00 0.00 0.00 0.00 31.44 28.79 3men n GLU 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 3men s VAL 29 N 0.70 5.25 0.63 6.31 -7.23 -1.26 -4.96 120.40 119.84 3men s VAL 29 Ca 0.40 -0.60 0.37 0.00 -1.81 0.00 0.00 61.98 60.35 3men s VAL 29 Cb 0.06 -3.64 0.40 0.00 0.56 0.00 0.00 36.38 33.77 3men s VAL 29 CO 0.00 0.01 2.29 -0.65 -0.31 0.00 0.00 175.10 176.44 3men h PRO 30 N 2.59 0.00 0.00 4.82 0.11 -1.88 -1.75 132.00 135.89 3men h PRO 30 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3men h PRO 30 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3men h PRO 30 CO 0.71 0.00 -0.05 1.49 -0.21 0.00 0.00 178.00 179.95 3men h GLU 31 N 0.00 0.00 -0.32 1.05 4.81 -1.96 -2.53 114.58 115.63 3men h GLU 31 Ca 0.01 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.30 3men h GLU 31 Cb 0.07 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.40 3men h GLU 31 CO -0.00 0.05 -0.07 0.00 -0.73 0.00 0.00 179.01 178.26 3men h ARG 32 N 0.00 0.01 0.00 1.92 3.08 -1.69 -1.03 114.38 116.67 3men h ARG 32 Ca -0.00 -0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 3men h ARG 32 Cb 0.24 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 3men h ARG 32 CO 0.01 0.01 -0.53 0.00 -1.07 0.00 0.00 179.97 178.39 3men h ALA 33 N 1.31 1.09 -0.28 0.04 0.00 -1.65 -2.81 119.26 116.95 3men h ALA 33 Ca 0.15 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 3men h ALA 33 Cb 0.23 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3men h ALA 33 CO -0.32 0.66 0.01 0.00 0.00 0.00 0.00 179.25 179.61 3men h ALA 34 N 1.47 0.38 -0.35 0.00 0.00 -1.27 0.51 119.26 120.00 3men h ALA 34 Ca -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3men h ALA 34 Cb 0.95 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3men h ALA 34 CO 0.07 0.11 0.13 0.00 0.00 0.00 0.00 179.25 179.56 3men h ARG 35 N 0.29 0.50 0.21 0.00 2.47 -1.15 -1.37 114.38 115.32 3men h ARG 35 Ca 0.08 -0.06 -0.31 0.00 -1.26 0.00 0.00 59.98 58.43 3men h ARG 35 Cb 0.40 -0.10 0.04 0.00 -1.65 0.00 0.00 29.97 28.66 3men h ARG 35 CO 0.01 0.43 -1.35 -0.07 0.56 0.00 0.00 179.97 179.55 3men h LEU 36 N 0.50 0.83 -0.82 3.04 3.38 -1.28 -1.71 115.31 119.25 3men h LEU 36 Ca 0.12 -0.89 0.07 0.00 0.09 0.00 0.00 57.88 57.27 3men h LEU 36 Cb 0.12 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.54 3men h LEU 36 CO -0.01 1.66 0.49 0.58 0.09 0.00 0.00 178.44 181.25 3men h VAL 37 N 0.14 1.00 -0.12 1.22 2.07 -0.68 -0.50 116.25 119.38 3men h VAL 37 Ca -0.23 -0.30 -0.09 0.00 0.82 0.00 0.00 66.70 66.90 3men h VAL 37 Cb 2.05 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 3men h VAL 37 CO 0.26 0.16 -0.32 0.00 0.02 0.00 0.00 177.57 177.68 3men h ALA 38 N 1.40 1.23 -0.11 1.67 0.00 -1.27 -2.10 119.26 120.09 3men h ALA 38 Ca 0.37 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3men h ALA 38 Cb 0.21 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3men h ALA 38 CO -0.19 0.52 0.05 0.00 0.00 0.00 0.00 179.25 179.63 3men h ALA 39 N 1.46 0.14 0.10 0.00 0.00 -0.30 -2.28 119.26 118.38 3men h ALA 39 Ca 0.03 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3men h ALA 39 Cb 0.68 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 3men h ALA 39 CO 0.05 -0.30 -0.32 0.00 0.00 0.00 0.00 179.25 178.69 3men h ALA 40 N 0.92 -0.53 -1.00 0.00 0.00 -0.97 -2.34 119.26 115.33 3men h ALA 40 Ca 0.04 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.98 3men h ALA 40 Cb 0.13 0.53 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 3men h ALA 40 CO -0.00 -0.86 0.64 0.74 0.00 0.00 0.00 179.25 179.77 3men h PHE 41 N -0.53 1.18 0.00 0.00 0.04 -1.37 0.07 116.94 116.32 3men h PHE 41 Ca 0.03 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.84 3men h PHE 41 Cb 0.57 -0.38 0.00 0.00 2.20 0.00 0.00 35.95 38.34 3men h PHE 41 CO -0.29 0.57 0.00 0.00 -0.60 0.00 0.00 178.31 177.99 3men n ALA 42 N -2.36 1.78 0.87 2.45 0.00 -0.86 -1.58 120.51 120.81 3men n ALA 42 Ca 0.16 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.70 3men n ALA 42 Cb 0.24 -1.33 0.09 0.00 0.00 0.00 0.00 19.45 18.45 3men n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3men n MET 43 N -1.79 1.95 -1.43 0.00 -0.00 -0.06 -4.97 117.12 110.82 3men n MET 43 Ca 0.04 -1.77 -0.08 0.00 -0.00 0.00 0.00 57.70 55.88 3men n MET 43 Cb 0.23 -1.41 -0.03 0.00 -0.00 0.00 0.00 33.22 32.01 3men n MET 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3men n GLY 44 N 1.20 0.80 3.74 3.17 0.00 -0.61 -5.01 105.19 108.47 3men n GLY 44 Ca 0.12 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 3men n GLY 44 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3men s PHE 45 N -2.32 3.69 -0.44 1.61 -0.12 -0.79 -4.95 117.98 114.66 3men s PHE 45 Ca 0.00 1.69 -0.29 0.00 -0.05 0.00 0.00 56.93 58.28 3men s PHE 45 Cb 0.00 -3.18 0.02 0.00 -0.63 0.00 0.00 43.02 39.23 3men s PHE 45 CO 0.00 -0.27 1.21 -1.25 -0.05 0.00 0.00 175.22 174.86 3men s PRO 46 N -0.41 3.72 -0.21 1.99 0.04 -1.26 -4.37 135.00 134.51 3men s PRO 46 Ca 0.48 0.73 -0.23 0.00 0.04 0.00 0.00 61.00 62.02 3men s PRO 46 Cb -0.28 -3.92 -0.02 0.00 0.04 0.00 0.00 34.50 30.33 3men s PRO 46 CO 0.34 -1.38 0.75 0.08 0.04 0.00 0.00 177.00 176.82 3men s VAL 47 N 4.63 4.92 -0.06 -0.36 1.01 -1.26 -1.50 120.40 127.78 3men s VAL 47 Ca 0.51 1.42 0.02 0.00 0.00 0.00 0.00 61.98 63.93 3men s VAL 47 Cb -0.10 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.25 3men s VAL 47 CO 0.30 0.02 -0.10 -0.13 0.00 0.00 0.00 175.10 175.19 3men s ARG 48 N 2.32 1.48 0.05 2.72 0.52 0.19 -4.97 118.95 121.26 3men s ARG 48 Ca 0.33 -0.34 -0.35 0.00 -0.52 0.00 0.00 55.73 54.84 3men s ARG 48 Cb -0.16 -1.26 -0.14 0.00 0.52 0.00 0.00 34.95 33.91 3men s ARG 48 CO 0.10 0.01 1.58 0.39 0.02 0.00 0.00 175.30 177.40 3men n GLU 49 N 3.83 1.76 -2.28 3.54 1.02 -1.25 -2.63 120.64 124.62 3men n GLU 49 Ca -0.23 0.64 -0.37 0.00 -0.02 0.00 0.00 57.16 57.17 3men n GLU 49 Cb 0.52 -2.37 -0.01 0.00 -0.02 0.00 0.00 31.44 29.55 3men n GLU 49 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3men s PRO 50 N 1.63 3.86 0.99 3.49 0.04 -1.26 -4.94 135.00 138.80 3men s PRO 50 Ca 0.85 1.78 -0.12 0.00 0.04 0.00 0.00 61.00 63.55 3men s PRO 50 Cb -0.80 -2.48 0.18 0.00 0.04 0.00 0.00 34.50 31.44 3men s PRO 50 CO 0.46 -0.47 1.08 -0.51 0.04 0.00 0.00 177.00 177.60 3men s ASP 51 N -1.31 2.56 -0.43 6.66 -0.00 -1.26 -4.99 116.67 117.90 3men s ASP 51 Ca 0.62 1.55 -0.20 0.00 -0.00 0.00 0.00 52.55 54.52 3men s ASP 51 Cb -0.29 -2.22 0.02 0.00 -0.00 0.00 0.00 42.92 40.44 3men s ASP 51 CO 0.35 -3.22 0.61 -0.62 -0.00 0.00 0.00 175.17 172.30 3men s ASP 52 N -3.07 6.32 0.00 0.27 2.15 -1.26 -4.89 116.67 116.19 3men s ASP 52 Ca 0.66 -0.32 0.27 0.00 0.43 0.00 0.00 52.55 53.58 3men s ASP 52 Cb -0.21 -2.31 0.90 0.00 -0.30 0.00 0.00 42.92 41.00 3men s ASP 52 CO 0.59 -0.73 1.65 0.49 -0.17 0.00 0.00 175.17 177.01 3men n PHE 53 N 6.15 0.00 -3.39 -5.34 3.72 -1.26 -5.06 117.46 112.28 3men n PHE 53 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3men n PHE 53 Cb 0.48 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 3men n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3men n GLY 54 N 1.25 -1.89 0.07 1.37 0.00 -1.26 -4.55 105.19 100.18 3men n GLY 54 Ca 0.16 -1.49 0.02 0.00 0.00 0.00 0.00 46.02 44.71 3men n GLY 54 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3men n ILE 55 N 0.00 0.83 -0.35 -0.61 0.13 -1.26 -4.50 119.36 113.60 3men n ILE 55 Ca 0.00 -0.66 0.03 0.00 -1.10 0.00 0.00 62.75 61.02 3men n ILE 55 Cb 0.00 -0.42 0.18 0.00 -0.84 0.00 0.00 39.64 38.56 3men n ILE 55 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3men h ALA 56 N 1.55 1.35 0.00 1.51 0.00 -1.98 0.12 119.26 121.81 3men h ALA 56 Ca -0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3men h ALA 56 Cb 1.51 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3men h ALA 56 CO 0.02 0.35 0.00 -1.35 0.00 0.00 0.00 179.25 178.27 3men h PRO 57 N 1.07 0.00 0.07 0.00 0.11 -1.82 -0.03 132.00 131.40 3men h PRO 57 Ca 0.43 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.34 3men h PRO 57 Cb 0.24 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.37 3men h PRO 57 CO -0.19 0.00 -0.84 0.82 -0.21 0.00 0.00 178.00 177.58 3men h ILE 58 N 0.00 1.41 0.00 4.15 2.04 -1.45 -3.31 117.51 120.34 3men h ILE 58 Ca 0.00 -2.30 0.00 0.00 1.00 0.00 0.00 64.86 63.56 3men h ILE 58 Cb 0.68 2.77 0.00 0.00 -0.74 0.00 0.00 36.82 39.54 3men h ILE 58 CO 0.00 0.67 0.00 0.00 0.00 0.00 0.00 178.15 178.82 3men n ALA 59 N -2.64 1.83 0.30 1.87 0.00 0.27 -1.56 120.51 120.59 3men n ALA 59 Ca -0.12 0.05 0.17 0.00 0.00 0.00 0.00 53.44 53.53 3men n ALA 59 Cb 0.80 -1.40 0.70 0.00 0.00 0.00 0.00 19.45 19.54 3men n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3men h ALA 60 N 2.36 1.00 0.00 0.00 0.00 -1.09 -3.32 119.26 118.21 3men h ALA 60 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 3men h ALA 60 Cb 0.46 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 3men h ALA 60 CO 0.00 0.00 -2.06 0.28 0.00 0.00 0.00 179.25 177.47 3men n VAL 61 N -2.92 1.05 -3.97 0.00 0.31 -0.77 -5.06 118.33 106.97 3men n VAL 61 Ca 0.01 -0.30 -0.29 0.00 -0.01 0.00 0.00 64.34 63.75 3men n VAL 61 Cb 0.27 -1.61 -0.04 0.00 -0.91 0.00 0.00 33.84 31.54 3men n VAL 61 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 3men s HIS 62 N -2.35 3.40 0.05 3.52 4.02 -0.60 -4.84 115.29 118.49 3men s HIS 62 Ca -0.26 0.15 -0.31 0.00 1.02 0.00 0.00 55.06 55.66 3men s HIS 62 Cb 0.09 -1.68 -0.06 0.00 -1.02 0.00 0.00 32.58 29.92 3men s HIS 62 CO 0.36 0.55 1.33 0.34 1.02 0.00 0.00 174.74 178.34 3men s ASP 63 N -2.77 6.91 0.48 1.40 -1.08 -0.76 -4.48 116.67 116.36 3men s ASP 63 Ca 0.33 2.14 0.18 0.00 -0.52 0.00 0.00 52.55 54.68 3men s ASP 63 Cb -0.12 -2.57 1.18 0.00 -1.46 0.00 0.00 42.92 39.95 3men s ASP 63 CO 0.26 -0.63 2.00 0.71 0.52 0.00 0.00 175.17 178.03 3men h THR 64 N 4.61 0.84 -0.20 1.71 1.35 -1.91 -0.84 112.91 118.45 3men h THR 64 Ca -0.40 -0.08 -0.10 0.00 -0.55 0.00 0.00 66.41 65.28 3men h THR 64 Cb 1.20 0.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.20 3men h THR 64 CO 0.87 0.04 -0.32 0.45 -0.25 0.00 0.00 175.52 176.31 3men h HIS 65 N 0.23 0.48 -0.54 4.73 3.86 -1.98 -1.94 115.15 119.98 3men h HIS 65 Ca 0.25 -0.11 -0.09 0.00 -1.16 0.00 0.00 60.37 59.26 3men h HIS 65 Cb 0.68 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 29.02 3men h HIS 65 CO -0.00 0.69 0.00 -0.92 0.86 0.00 0.00 177.93 178.56 3men h TYR 66 N 0.36 1.03 -0.31 2.45 3.20 -1.50 -2.32 116.97 119.89 3men h TYR 66 Ca 0.05 -0.18 -0.03 0.00 3.14 0.00 0.00 58.73 61.71 3men h TYR 66 Cb 0.74 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 3men h TYR 66 CO 0.02 0.94 0.08 -0.07 -1.64 0.00 0.00 178.16 177.49 3men h LEU 67 N 0.83 0.46 -0.78 2.82 3.38 -1.00 -1.20 115.31 119.82 3men h LEU 67 Ca 0.15 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3men h LEU 67 Cb 0.53 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 3men h LEU 67 CO 0.03 0.57 0.52 0.03 0.09 0.00 0.00 178.44 179.67 3men h ARG 68 N 0.34 1.02 -0.35 1.13 3.08 -1.41 -2.29 114.38 115.89 3men h ARG 68 Ca 0.10 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.13 3men h ARG 68 Cb 0.28 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.06 3men h ARG 68 CO 0.00 0.68 0.10 0.35 -1.07 0.00 0.00 179.97 180.03 3men h PHE 69 N 1.05 0.18 -0.83 3.04 3.57 -1.10 -2.04 116.94 120.81 3men h PHE 69 Ca 0.29 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.80 3men h PHE 69 Cb -0.12 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.55 3men h PHE 69 CO -0.02 0.06 0.52 1.25 -2.23 0.00 0.00 178.31 177.89 3men h LEU 70 N 0.24 0.98 -0.78 0.59 5.85 -0.70 0.22 115.31 121.72 3men h LEU 70 Ca 0.16 -0.05 -0.13 0.00 0.84 0.00 0.00 57.88 58.70 3men h LEU 70 Cb 0.15 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3men h LEU 70 CO -0.18 0.74 -0.54 -0.08 -0.34 0.00 0.00 178.44 178.04 3men h GLU 71 N 1.14 0.19 0.00 1.25 4.81 -1.20 -3.33 114.58 117.44 3men h GLU 71 Ca 0.30 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3men h GLU 71 Cb -0.07 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.32 3men h GLU 71 CO -0.06 0.69 -1.35 0.25 -0.73 0.00 0.00 179.01 177.81 3men n THR 72 N -3.91 0.00 -0.25 0.32 -2.24 -0.79 -4.65 114.28 102.76 3men n THR 72 Ca -0.02 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3men n THR 72 Cb 0.57 0.48 0.22 0.00 -2.10 0.00 0.00 70.33 69.51 3men n THR 72 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3men h VAL 73 N 0.00 1.21 -0.41 2.28 3.04 -0.68 -1.48 116.25 120.20 3men h VAL 73 Ca 0.00 -0.37 -0.01 0.00 -1.01 0.00 0.00 66.70 65.31 3men h VAL 73 Cb 0.60 0.03 -0.02 0.00 -2.01 0.00 0.00 31.29 29.89 3men h VAL 73 CO 0.00 0.20 0.21 -0.74 -1.01 0.00 0.00 177.57 176.23 3men h HIS 74 N 1.08 0.58 -0.12 3.17 6.17 -1.82 0.39 115.15 124.59 3men h HIS 74 Ca 0.29 -0.02 0.05 0.00 0.71 0.00 0.00 60.37 61.40 3men h HIS 74 Cb -0.13 -0.18 -0.06 0.00 2.52 0.00 0.00 27.41 29.57 3men h HIS 74 CO -0.00 0.46 -0.24 -0.09 0.71 0.00 0.00 177.93 178.78 3men h ARG 75 N 0.53 -0.29 -0.34 5.26 2.43 -1.71 -0.21 114.38 120.05 3men h ARG 75 Ca 0.14 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 3men h ARG 75 Cb 0.09 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3men h ARG 75 CO -0.02 -0.20 0.10 0.93 -1.51 0.00 0.00 179.97 179.27 3men h GLU 76 N -0.30 0.48 0.00 0.20 4.39 -0.94 -1.59 114.58 116.81 3men h GLU 76 Ca 0.10 -0.07 -0.14 0.00 0.34 0.00 0.00 59.36 59.59 3men h GLU 76 Cb 0.45 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 3men h GLU 76 CO -0.30 0.43 -0.68 2.35 -1.16 0.00 0.00 179.01 179.66 3men h TRP 77 N 0.48 0.00 0.00 4.33 2.91 -0.51 -3.10 115.95 120.06 3men h TRP 77 Ca 0.12 0.00 -0.12 0.00 1.13 0.00 0.00 58.89 60.02 3men h TRP 77 Cb 0.16 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.79 3men h TRP 77 CO 0.01 0.68 -0.55 0.87 -1.03 0.00 0.00 178.44 178.41 3men h LYS 78 N 0.00 0.00 0.00 2.65 1.79 -0.09 -2.82 116.57 118.10 3men h LYS 78 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3men h LYS 78 Cb 1.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 3men h LYS 78 CO 0.09 0.55 0.00 0.00 -1.08 0.00 0.00 179.45 179.01 3men n ALA 79 N -2.38 1.98 -2.36 3.86 0.00 -0.85 -4.82 120.51 115.94 3men n ALA 79 Ca -0.01 -0.09 -0.19 0.00 0.00 0.00 0.00 53.44 53.16 3men n ALA 79 Cb 0.59 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.74 3men n ALA 79 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3men s MET 80 N -2.61 3.05 0.50 0.00 1.00 -1.07 -5.04 119.30 115.13 3men s MET 80 Ca 0.17 -1.01 -0.20 0.00 0.00 0.00 0.00 55.69 54.65 3men s MET 80 Cb 0.12 -2.78 -0.10 0.00 0.00 0.00 0.00 34.83 32.07 3men s MET 80 CO 0.29 -0.04 0.58 -2.30 0.00 0.00 0.00 175.02 173.54 3men n PRO 81 N -1.73 0.62 -0.29 2.03 -0.02 -1.26 -4.83 135.00 129.52 3men n PRO 81 Ca 0.02 0.23 0.05 0.00 -2.02 0.00 0.00 63.50 61.78 3men n PRO 81 Cb 0.58 -1.66 0.19 0.00 -0.02 0.00 0.00 33.50 32.59 3men n PRO 81 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3men h GLU 82 N 0.60 0.66 -0.04 -0.52 9.09 -1.91 -1.26 114.58 121.20 3men h GLU 82 Ca -0.43 -0.04 0.01 0.00 0.05 0.00 0.00 59.36 58.95 3men h GLU 82 Cb 1.39 -0.15 -0.00 0.00 -1.65 0.00 0.00 28.75 28.34 3men h GLU 82 CO 0.50 0.44 0.28 0.22 0.05 0.00 0.00 179.01 180.50 3men h ASP 83 N 0.68 0.00 1.09 3.06 3.58 -2.01 0.74 116.42 123.57 3men h ASP 83 Ca 0.42 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.87 3men h ASP 83 Cb 0.49 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.54 3men h ASP 83 CO -0.30 0.00 0.00 -0.50 -2.88 0.00 0.00 179.24 175.56 3men h TRP 84 N 0.00 0.00 0.00 0.28 4.06 -1.55 -3.50 115.95 115.24 3men h TRP 84 Ca 0.02 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.97 3men h TRP 84 Cb 0.58 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.74 3men h TRP 84 CO 0.00 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.29 3men n GLY 85 N 0.41 -2.32 0.67 1.49 0.00 0.25 -4.67 105.19 101.01 3men n GLY 85 Ca 0.03 -1.60 0.08 0.00 0.00 0.00 0.00 46.02 44.53 3men n GLY 85 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3men n ASP 86 N 0.10 2.38 -4.26 1.61 2.03 -1.26 -4.83 116.55 112.33 3men n ASP 86 Ca 0.00 -1.69 -0.33 0.00 0.52 0.00 0.00 54.79 53.29 3men n ASP 86 Cb 0.00 0.02 -0.15 0.00 -0.72 0.00 0.00 41.12 40.27 3men n ASP 86 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3men s GLU 87 N -1.44 3.20 0.07 -0.67 2.02 -1.26 -4.58 118.70 116.04 3men s GLU 87 Ca 0.20 -0.76 -0.31 0.00 0.02 0.00 0.00 54.97 54.12 3men s GLU 87 Cb 0.14 -2.60 -0.06 0.00 0.10 0.00 0.00 34.13 31.71 3men s GLU 87 CO 0.22 0.03 1.26 0.00 0.02 0.00 0.00 175.26 176.79 3men s ALA 88 N 0.78 3.46 0.10 5.21 0.00 -0.72 -4.80 121.76 125.79 3men s ALA 88 Ca -0.06 0.91 -0.12 0.00 0.00 0.00 0.00 51.96 52.69 3men s ALA 88 Cb -0.15 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.50 3men s ALA 88 CO 0.00 -0.52 0.29 -1.64 0.00 0.00 0.00 175.76 173.88 3men s MET 89 N 1.20 0.94 -0.05 0.00 -1.94 -1.26 -0.43 119.30 117.76 3men s MET 89 Ca 0.60 -0.83 -0.13 0.00 -1.71 0.00 0.00 55.69 53.62 3men s MET 89 Cb -0.31 0.40 -0.05 0.00 2.01 0.00 0.00 34.83 36.87 3men s MET 89 CO 0.29 -0.33 0.34 0.45 -0.01 0.00 0.00 175.02 175.76 3men s SER 90 N -2.81 6.68 0.00 3.03 0.15 -1.26 -4.94 113.70 114.55 3men s SER 90 Ca 0.04 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.49 3men s SER 90 Cb 0.03 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.14 3men s SER 90 CO -0.11 0.31 0.86 -0.46 1.20 0.00 0.00 173.24 175.05 3men n ASN 91 N 2.07 1.66 -4.00 5.45 6.94 -1.26 -4.94 115.26 121.17 3men n ASN 91 Ca -0.15 -1.74 -0.30 0.00 -0.02 0.00 0.00 54.58 52.36 3men n ASN 91 Cb 0.53 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.79 3men n ASN 91 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3men s ILE 92 N -0.74 1.64 -0.94 1.53 1.01 -1.26 -5.07 121.20 117.36 3men s ILE 92 Ca 0.00 -0.95 -0.02 0.00 0.00 0.00 0.00 60.65 59.69 3men s ILE 92 Cb 0.00 -1.68 0.32 0.00 0.01 0.00 0.00 42.46 41.11 3men s ILE 92 CO 0.00 0.22 1.95 0.49 0.00 0.00 0.00 174.94 177.60 3men n PHE 93 N 4.70 2.83 -3.69 3.97 3.72 -1.26 -4.29 117.46 123.44 3men n PHE 93 Ca -0.15 -2.45 -0.29 0.00 -0.05 0.00 0.00 57.45 54.52 3men n PHE 93 Cb 0.47 -1.21 -0.16 0.00 -0.94 0.00 0.00 39.48 37.64 3men n PHE 93 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3men s VAL 94 N -4.55 0.50 0.02 -4.37 1.01 -1.26 -4.99 120.40 106.76 3men s VAL 94 Ca 0.46 -0.89 -0.26 0.00 0.00 0.00 0.00 61.98 61.28 3men s VAL 94 Cb 0.30 -1.23 -0.14 0.00 0.00 0.00 0.00 36.38 35.31 3men s VAL 94 CO -0.26 -0.50 1.12 0.08 0.00 0.00 0.00 175.10 175.55 3men h ARG 95 N 8.23 -0.91 -3.93 2.72 -0.00 -1.90 -3.37 114.38 115.22 3men h ARG 95 Ca -0.16 0.06 -0.22 0.00 -0.00 0.00 0.00 59.98 59.66 3men h ARG 95 Cb 1.06 0.21 -0.25 0.00 -0.00 0.00 0.00 29.97 30.99 3men h ARG 95 CO 0.41 -0.61 -0.72 -1.83 -0.00 0.00 0.00 179.97 177.22 3men s GLU 96 N -4.66 0.19 0.53 0.08 1.03 -1.26 -4.15 118.70 110.45 3men s GLU 96 Ca -0.14 -0.29 -0.21 0.00 0.03 0.00 0.00 54.97 54.36 3men s GLU 96 Cb 0.01 -0.01 -0.06 0.00 -0.80 0.00 0.00 34.13 33.27 3men s GLU 96 CO 0.41 -0.01 1.16 -2.14 -1.33 0.00 0.00 175.26 173.36 3men s PRO 97 N -0.66 3.41 -0.30 -4.83 0.02 -1.26 -5.18 135.00 126.19 3men s PRO 97 Ca -0.06 1.73 -0.07 0.00 0.02 0.00 0.00 61.00 62.61 3men s PRO 97 Cb -0.05 -2.13 0.18 0.00 0.02 0.00 0.00 34.50 32.52 3men s PRO 97 CO -0.00 -0.83 0.80 1.21 -0.33 0.00 0.00 177.00 177.84 3men s ASN 98 N -1.58 -0.96 0.45 2.53 3.84 -1.26 -5.02 114.94 112.94 3men s ASN 98 Ca 0.71 0.74 0.30 0.00 0.21 0.00 0.00 52.86 54.81 3men s ASN 98 Cb -0.27 1.86 1.17 0.00 -0.55 0.00 0.00 41.25 43.46 3men s ASN 98 CO 0.31 -0.18 1.87 0.00 -2.79 0.00 0.00 177.10 176.31 3men h ALA 99 N 7.94 1.00 -6.14 1.71 0.00 -1.95 -3.47 119.26 118.36 3men h ALA 99 Ca -0.19 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.28 3men h ALA 99 Cb 1.15 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.97 3men h ALA 99 CO 0.11 0.00 -0.75 1.28 0.00 0.00 0.00 179.25 179.89 3men n LEU 100 N -2.81 -2.90 -4.50 0.00 4.77 -1.26 -4.98 117.00 105.33 3men n LEU 100 Ca 0.01 -0.71 -0.36 0.00 -0.03 0.00 0.00 56.01 54.92 3men n LEU 100 Cb 0.30 -2.72 -0.12 0.00 -2.33 0.00 0.00 43.42 38.56 3men n LEU 100 CO 0.26 0.51 -0.26 -0.13 -1.33 0.00 0.00 177.39 176.43 3men s ARG 101 N -6.42 3.75 0.00 3.23 0.52 -1.26 -4.84 118.95 113.93 3men s ARG 101 Ca 0.55 -0.44 0.00 0.00 -0.52 0.00 0.00 55.73 55.32 3men s ARG 101 Cb -0.26 -3.33 0.00 0.00 0.52 0.00 0.00 34.95 31.87 3men s ARG 101 CO 0.80 -0.09 0.00 0.41 0.02 0.00 0.00 175.30 176.44 3men n GLY 102 N 4.64 0.23 0.24 -3.53 0.00 -1.26 -4.36 105.19 101.15 3men n GLY 102 Ca -0.16 -1.56 0.09 0.00 0.00 0.00 0.00 46.02 44.39 3men n GLY 102 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3men h VAL 103 N 0.00 0.81 -0.18 1.61 3.04 -1.94 -1.79 116.25 117.80 3men h VAL 103 Ca 0.00 -0.66 -0.09 0.00 -1.01 0.00 0.00 66.70 64.94 3men h VAL 103 Cb 0.00 1.39 -0.01 0.00 -2.01 0.00 0.00 31.29 30.66 3men h VAL 103 CO 0.00 0.17 -0.30 0.25 -1.01 0.00 0.00 177.57 176.68 3men h LEU 104 N 0.00 0.36 -0.14 3.16 5.85 -1.98 -1.12 115.31 121.45 3men h LEU 104 Ca -0.00 -0.13 -0.23 0.00 0.84 0.00 0.00 57.88 58.36 3men h LEU 104 Cb 0.38 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.31 3men h LEU 104 CO 0.02 0.65 -0.98 0.00 -0.34 0.00 0.00 178.44 177.79 3men h ALA 105 N 1.38 0.33 -0.49 1.25 0.00 -1.55 -2.39 119.26 117.79 3men h ALA 105 Ca 0.04 -0.73 -0.04 0.00 0.00 0.00 0.00 54.91 54.18 3men h ALA 105 Cb 0.68 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3men h ALA 105 CO 0.05 0.83 0.14 1.96 0.00 0.00 0.00 179.25 182.23 3men h GLN 106 N 0.21 0.77 -0.76 0.00 1.08 -1.20 -2.78 115.11 112.43 3men h GLN 106 Ca -0.09 -0.17 -0.01 0.00 -1.45 0.00 0.00 58.65 56.93 3men h GLN 106 Cb 1.63 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 28.91 3men h GLN 106 CO 0.17 0.73 0.45 0.00 -0.95 0.00 0.00 178.83 179.23 3men h ALA 107 N 1.00 0.96 -0.65 3.87 0.00 -1.22 0.14 119.26 123.37 3men h ALA 107 Ca 0.16 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.08 3men h ALA 107 Cb 0.29 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3men h ALA 107 CO -0.00 0.44 0.43 0.00 0.00 0.00 0.00 179.25 180.12 3men h ALA 108 N 1.24 2.00 0.13 0.00 0.00 -1.23 -1.83 119.26 119.56 3men h ALA 108 Ca 0.27 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.86 3men h ALA 108 Cb -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3men h ALA 108 CO -0.05 -0.14 -1.62 -0.09 0.00 0.00 0.00 179.25 177.35 3men h ARG 109 N 0.45 0.27 -0.03 0.00 2.43 -1.10 -3.35 114.38 113.05 3men h ARG 109 Ca 0.30 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 3men h ARG 109 Cb 0.57 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 3men h ARG 109 CO -0.09 1.22 0.00 0.72 -1.51 0.00 0.00 179.97 180.31 3men n HIS 110 N -3.78 0.00 -3.96 2.20 8.25 -0.03 -4.76 115.22 113.14 3men n HIS 110 Ca -0.27 -0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 56.88 3men n HIS 110 Cb 0.96 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.92 3men n HIS 110 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3men s LEU 111 N -2.00 2.76 0.00 2.41 1.43 -0.70 -1.23 118.68 121.36 3men s LEU 111 Ca 0.29 -1.25 0.25 0.00 -1.03 0.00 0.00 54.13 52.39 3men s LEU 111 Cb 0.20 -1.24 0.49 0.00 0.03 0.00 0.00 46.19 45.66 3men s LEU 111 CO 0.30 -0.24 1.40 0.00 0.23 0.00 0.00 176.35 178.04 3men n ALA 112 N 4.62 3.27 -3.39 4.21 0.00 -0.72 -4.80 120.51 123.71 3men n ALA 112 Ca -0.12 -0.49 -0.02 0.00 0.00 0.00 0.00 53.44 52.82 3men n ALA 112 Cb 0.44 -1.01 0.01 0.00 0.00 0.00 0.00 19.45 18.88 3men n ALA 112 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3men n ASP 113 N -0.46 -0.91 -0.56 0.00 5.68 -1.26 -5.02 116.55 114.03 3men n ASP 113 Ca 0.11 -1.75 0.04 0.00 -0.50 0.00 0.00 54.79 52.69 3men n ASP 113 Cb 0.39 1.55 0.13 0.00 -1.14 0.00 0.00 41.12 42.04 3men n ASP 113 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3men n GLY 114 N -0.25 0.44 0.89 6.12 0.00 -1.26 -3.96 105.19 107.18 3men n GLY 114 Ca -0.03 -0.31 0.05 0.00 0.00 0.00 0.00 46.02 45.74 3men n GLY 114 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3men n SER 115 N 0.32 3.36 -2.49 1.61 7.64 -1.26 -1.85 113.62 120.95 3men n SER 115 Ca 0.09 -3.23 -0.17 0.00 1.01 0.00 0.00 58.87 56.58 3men n SER 115 Cb 0.26 -0.56 0.02 0.00 -1.01 0.00 0.00 64.21 62.92 3men n SER 115 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3men n PRO 117 N -0.44 1.52 -3.75 0.00 -0.04 -1.26 -4.90 135.00 126.13 3men n PRO 117 Ca 0.26 0.56 -0.37 0.00 -0.04 0.00 0.00 63.50 63.92 3men n PRO 117 Cb 0.79 -2.51 -0.11 0.00 -0.04 0.00 0.00 33.50 31.63 3men n PRO 117 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3men s VAL 118 N -1.32 3.48 0.24 0.52 1.01 0.42 -4.93 120.40 119.82 3men s VAL 118 Ca 0.73 -1.81 -0.02 0.00 0.00 0.00 0.00 61.98 60.89 3men s VAL 118 Cb -0.42 -3.27 0.05 0.00 0.00 0.00 0.00 36.38 32.74 3men s VAL 118 CO 0.48 -0.57 0.33 0.61 0.00 0.00 0.00 175.10 175.94 3men n GLY 119 N 4.68 0.09 0.33 4.51 0.00 -1.26 -1.76 105.19 111.78 3men n GLY 119 Ca -0.06 -1.88 0.01 0.00 0.00 0.00 0.00 46.02 44.09 3men n GLY 119 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3men h GLU 120 N 0.00 0.98 -0.37 1.61 4.81 -1.96 -2.79 114.58 116.86 3men h GLU 120 Ca -0.11 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3men h GLU 120 Cb 0.36 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3men h GLU 120 CO 0.10 0.65 0.00 0.72 -0.73 0.00 0.00 179.01 179.75 3men n HIS 121 N -4.60 0.49 -0.09 0.92 8.25 -1.26 -4.66 115.22 114.27 3men n HIS 121 Ca 0.12 -0.37 -0.06 0.00 -0.26 0.00 0.00 57.72 57.15 3men n HIS 121 Cb 0.16 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.26 3men n HIS 121 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3men h THR 122 N 2.91 0.78 -0.20 1.59 2.02 -1.82 -0.29 112.91 117.91 3men h THR 122 Ca 0.00 -0.03 0.02 0.00 0.77 0.00 0.00 66.41 67.16 3men h THR 122 Cb 0.78 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 3men h THR 122 CO 0.00 0.02 0.09 -0.25 0.37 0.00 0.00 175.52 175.74 3men h TRP 123 N 0.10 0.16 -0.24 3.16 2.91 -1.82 -1.04 115.95 119.17 3men h TRP 123 Ca 0.15 0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.20 3men h TRP 123 Cb 0.20 -0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 28.78 3men h TRP 123 CO -0.22 0.08 0.08 -0.09 -1.03 0.00 0.00 178.44 177.27 3men h ARG 124 N 0.19 0.19 -0.35 2.65 2.43 -1.79 0.30 114.38 118.00 3men h ARG 124 Ca 0.08 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.16 3men h ARG 124 Cb 0.04 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 3men h ARG 124 CO -0.07 0.13 -0.10 0.00 -1.51 0.00 0.00 179.97 178.41 3men h ALA 125 N 1.15 0.49 -0.57 2.80 0.00 -0.80 -2.50 119.26 119.82 3men h ALA 125 Ca 0.10 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 3men h ALA 125 Cb 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3men h ALA 125 CO -0.11 0.35 0.06 0.00 0.00 0.00 0.00 179.25 179.56 3men h ALA 126 N 0.81 1.02 0.12 0.00 0.00 -0.99 -0.99 119.26 119.23 3men h ALA 126 Ca 0.09 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3men h ALA 126 Cb 0.62 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3men h ALA 126 CO 0.04 0.62 -0.16 -0.92 0.00 0.00 0.00 179.25 178.82 3men h TYR 127 N 0.88 -0.42 0.00 0.00 3.20 -0.21 -1.71 116.97 118.71 3men h TYR 127 Ca 0.17 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 3men h TYR 127 Cb 0.44 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 3men h TYR 127 CO 0.03 -0.24 -0.17 -1.49 -1.64 0.00 0.00 178.16 174.64 3men h TRP 128 N -0.33 0.00 -0.44 -3.82 4.06 -1.36 -1.92 115.95 112.14 3men h TRP 128 Ca 0.02 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.92 3men h TRP 128 Cb 0.33 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.48 3men h TRP 128 CO -0.16 0.17 0.11 1.03 -3.56 0.00 0.00 178.44 176.04 3men h SER 129 N 0.00 0.67 -0.70 -3.49 0.87 -0.93 -1.51 113.55 108.46 3men h SER 129 Ca -0.00 -0.23 0.05 0.00 -1.23 0.00 0.00 61.79 60.38 3men h SER 129 Cb 0.71 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 62.44 3men h SER 129 CO 0.02 0.73 0.41 0.00 -0.53 0.00 0.00 176.83 177.46 3men h ALA 130 N 0.97 0.94 -0.36 6.23 0.00 -0.73 -2.67 119.26 123.63 3men h ALA 130 Ca 0.14 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3men h ALA 130 Cb 0.32 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3men h ALA 130 CO 0.00 0.11 -0.12 1.96 0.00 0.00 0.00 179.25 181.20 3men h GLN 131 N 0.75 0.62 -0.18 0.00 1.08 -1.02 0.14 115.11 116.51 3men h GLN 131 Ca 0.31 -0.19 0.04 0.00 -1.45 0.00 0.00 58.65 57.36 3men h GLN 131 Cb 0.16 -0.06 -0.04 0.00 -0.05 0.00 0.00 27.48 27.48 3men h GLN 131 CO -0.17 0.73 -0.08 0.77 -0.95 0.00 0.00 178.83 179.13 3men h SER 132 N 0.57 -0.27 -0.42 1.46 0.02 -1.02 0.39 113.55 114.28 3men h SER 132 Ca 0.10 0.07 0.08 0.00 -0.84 0.00 0.00 61.79 61.20 3men h SER 132 Cb 0.54 0.15 -0.08 0.00 0.14 0.00 0.00 62.40 63.16 3men h SER 132 CO 0.03 -0.11 -0.08 0.00 -1.14 0.00 0.00 176.83 175.54 3men h ALA 133 N 1.11 0.31 0.00 3.77 0.00 -1.05 0.86 119.26 124.26 3men h ALA 133 Ca 0.10 0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 3men h ALA 133 Cb 0.20 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3men h ALA 133 CO -0.22 -0.44 -0.32 -0.07 0.00 0.00 0.00 179.25 178.20 3men h LEU 134 N 0.03 0.00 -0.07 0.00 3.38 -0.06 -1.88 115.31 116.70 3men h LEU 134 Ca 0.20 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 3men h LEU 134 Cb 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3men h LEU 134 CO -0.41 0.32 -0.05 0.00 0.09 0.00 0.00 178.44 178.39 3men h ALA 135 N 1.68 0.10 0.00 1.53 0.00 0.24 -1.82 119.26 120.99 3men h ALA 135 Ca -0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3men h ALA 135 Cb 0.66 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3men h ALA 135 CO 0.04 -0.12 -0.12 0.00 0.00 0.00 0.00 179.25 179.05 3men h ALA 136 N 0.60 1.73 0.08 0.00 0.00 -0.37 -2.22 119.26 119.07 3men h ALA 136 Ca 0.01 -0.11 -0.26 0.00 0.00 0.00 0.00 54.91 54.56 3men h ALA 136 Cb 0.52 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3men h ALA 136 CO 0.01 0.15 -1.21 0.00 0.00 0.00 0.00 179.25 178.20 3men h ALA 137 N 1.88 0.21 -0.13 0.00 0.00 -1.35 -2.86 119.26 117.02 3men h ALA 137 Ca -0.00 -0.94 -0.01 0.00 0.00 0.00 0.00 54.91 53.97 3men h ALA 137 Cb 0.22 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3men h ALA 137 CO 0.02 1.10 0.05 0.00 0.00 0.00 0.00 179.25 180.42 3men h ALA 138 N 0.72 0.16 0.31 0.00 0.00 -0.82 -0.62 119.26 119.01 3men h ALA 138 Ca -0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3men h ALA 138 Cb 1.91 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 3men h ALA 138 CO 0.17 -0.26 -0.29 0.00 0.00 0.00 0.00 179.25 178.87 3men h ALA 139 N 0.90 -1.00 -0.69 0.00 0.00 -1.53 -1.26 119.26 115.69 3men h ALA 139 Ca 0.04 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 54.98 3men h ALA 139 Cb 0.16 0.51 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 3men h ALA 139 CO -0.00 -1.01 0.17 0.28 0.00 0.00 0.00 179.25 178.68 3men h VAL 140 N -0.60 0.58 -0.78 0.00 2.07 -1.52 0.44 116.25 116.44 3men h VAL 140 Ca -0.04 -0.10 0.13 0.00 0.82 0.00 0.00 66.70 67.51 3men h VAL 140 Cb 0.51 0.27 -0.09 0.00 -1.52 0.00 0.00 31.29 30.46 3men h VAL 140 CO -0.02 0.05 0.36 -0.09 0.02 0.00 0.00 177.57 177.89 3men h ARG 141 N 0.28 0.53 0.00 1.57 2.43 -1.03 0.13 114.38 118.30 3men h ARG 141 Ca 0.38 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 3men h ARG 141 Cb 0.60 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3men h ARG 141 CO -0.46 0.35 0.00 -0.44 -1.51 0.00 0.00 179.97 177.91 3men h ASP 142 N 0.55 0.00 0.00 -3.80 3.45 0.97 -3.47 116.42 114.12 3men h ASP 142 Ca 0.41 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.87 3men h ASP 142 Cb 0.57 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.34 3men h ASP 142 CO -0.35 0.00 0.00 0.61 -1.57 0.00 0.00 179.24 177.93 3men n GLY 143 N 0.69 -0.26 3.72 2.75 0.00 0.46 -5.07 105.19 107.48 3men n GLY 143 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3men n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3men s ALA 144 N -0.61 3.50 0.43 4.61 0.00 -1.17 -4.88 121.76 123.65 3men s ALA 144 Ca 0.00 1.02 0.14 0.00 0.00 0.00 0.00 51.96 53.12 3men s ALA 144 Cb 0.00 -3.48 1.02 0.00 0.00 0.00 0.00 23.12 20.66 3men s ALA 144 CO 0.00 -0.51 1.97 -1.00 0.00 0.00 0.00 175.76 176.22 3men h PRO 145 N 6.22 0.41 0.00 0.00 0.13 -1.94 -3.40 132.00 133.43 3men h PRO 145 Ca -0.43 -0.02 -0.24 0.00 -0.87 0.00 0.00 66.00 64.44 3men h PRO 145 Cb 1.21 -0.09 -0.06 0.00 0.13 0.00 0.00 31.00 32.19 3men h PRO 145 CO 0.81 0.27 -0.14 0.00 -0.23 0.00 0.00 178.00 178.71 3men n ALA 146 N -2.52 -0.17 -3.65 -0.56 0.00 -1.26 -1.89 120.51 110.47 3men n ALA 146 Ca 0.11 -1.29 -0.03 0.00 0.00 0.00 0.00 53.44 52.23 3men n ALA 146 Cb 0.40 1.04 -0.07 0.00 0.00 0.00 0.00 19.45 20.82 3men n ALA 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3men s ALA 147 N -2.57 -2.29 -0.32 0.00 0.00 -1.03 -4.64 121.76 110.91 3men s ALA 147 Ca 0.24 1.82 -0.05 0.00 0.00 0.00 0.00 51.96 53.97 3men s ALA 147 Cb -0.00 -1.77 0.04 0.00 0.00 0.00 0.00 23.12 21.39 3men s ALA 147 CO 0.17 -0.19 0.07 -0.47 0.00 0.00 0.00 175.76 175.34 3men s TYR 148 N 0.39 3.23 -0.53 0.00 5.04 0.66 -1.33 117.35 124.81 3men s TYR 148 Ca 0.02 -1.47 -0.24 0.00 -2.44 0.00 0.00 57.07 52.95 3men s TYR 148 Cb -0.04 -2.22 0.04 0.00 0.35 0.00 0.00 41.96 40.09 3men s TYR 148 CO -0.13 -0.72 0.91 0.00 -1.34 0.00 0.00 175.55 174.27 3men s ALA 149 N 1.38 3.19 -1.42 3.97 0.00 0.77 -1.53 121.76 128.12 3men s ALA 149 Ca -0.02 -1.21 -0.12 0.00 0.00 0.00 0.00 51.96 50.61 3men s ALA 149 Cb -0.19 -3.68 0.07 0.00 0.00 0.00 0.00 23.12 19.31 3men s ALA 149 CO 0.01 -2.30 2.19 -0.11 0.00 0.00 0.00 175.76 175.56 3men n LEU 150 N 7.30 6.97 -4.75 0.00 0.00 -0.38 -2.30 117.00 123.84 3men n LEU 150 Ca 0.02 -4.30 -0.40 0.00 0.00 0.00 0.00 56.01 51.32 3men n LEU 150 Cb 0.47 -1.60 -0.04 0.00 0.00 0.00 0.00 43.42 42.25 3men n LEU 150 CO 0.63 1.26 0.79 0.00 0.00 0.00 0.00 177.39 180.07 3men s ARG 152 N -1.22 0.15 0.79 0.00 3.00 -1.26 -4.51 118.95 115.90 3men s ARG 152 Ca 0.45 0.36 -0.11 0.00 -1.00 0.00 0.00 55.73 55.43 3men s ARG 152 Cb -0.31 0.18 0.07 0.00 0.00 0.00 0.00 34.95 34.89 3men s ARG 152 CO 0.39 -0.05 1.12 -1.25 0.00 0.00 0.00 175.30 175.51 3men s PRO 153 N 2.01 2.03 1.22 5.12 0.04 -1.26 -4.61 135.00 139.54 3men s PRO 153 Ca -0.02 1.34 -0.19 0.00 0.04 0.00 0.00 61.00 62.16 3men s PRO 153 Cb -0.03 -1.86 0.29 0.00 0.04 0.00 0.00 34.50 32.94 3men s PRO 153 CO -0.16 -1.84 1.10 -1.25 0.04 0.00 0.00 177.00 174.90 3men s PRO 154 N -4.65 -1.33 0.00 0.56 0.04 -1.26 -4.90 135.00 123.46 3men s PRO 154 Ca 0.64 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.62 3men s PRO 154 Cb -0.20 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.76 3men s PRO 154 CO 0.54 -3.78 0.00 0.41 0.04 0.00 0.00 177.00 174.20 3men n GLY 155 N -0.85 0.00 0.04 0.56 0.00 -1.26 -3.86 105.19 99.83 3men n GLY 155 Ca 0.13 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.21 3men n GLY 155 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3men n HIS 156 N -0.72 0.20 1.11 1.61 1.44 -1.26 -1.22 115.22 116.38 3men n HIS 156 Ca 0.00 0.09 0.12 0.00 -2.01 0.00 0.00 57.72 55.92 3men n HIS 156 Cb 0.08 -0.65 0.16 0.00 0.12 0.00 0.00 29.99 29.71 3men n HIS 156 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3men n HIS 157 N -1.70 0.00 -2.53 -1.40 8.25 -1.26 -1.56 115.22 115.02 3men n HIS 157 Ca 0.01 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.05 3men n HIS 157 Cb 0.10 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.15 3men n HIS 157 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3men s ALA 158 N -2.41 3.54 0.84 -1.41 0.00 -0.36 -4.11 121.76 117.86 3men s ALA 158 Ca 0.22 0.16 -0.12 0.00 0.00 0.00 0.00 51.96 52.23 3men s ALA 158 Cb 0.19 -3.66 0.12 0.00 0.00 0.00 0.00 23.12 19.77 3men s ALA 158 CO 0.52 -1.39 1.20 1.03 0.00 0.00 0.00 175.76 177.11 3men s ARG 159 N 3.66 1.53 0.29 0.00 0.52 0.55 -4.37 118.95 121.13 3men s ARG 159 Ca 0.50 -0.18 0.04 0.00 -0.52 0.00 0.00 55.73 55.58 3men s ARG 159 Cb -0.16 -1.96 0.69 0.00 0.52 0.00 0.00 34.95 34.04 3men s ARG 159 CO 0.15 -1.82 1.77 0.28 0.02 0.00 0.00 175.30 175.71 3men h VAL 160 N -1.17 0.71 0.00 3.52 2.07 -1.88 -3.04 116.25 116.47 3men h VAL 160 Ca -0.45 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 66.82 3men h VAL 160 Cb 1.29 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3men h VAL 160 CO 0.54 0.14 -0.10 -0.67 0.02 0.00 0.00 177.57 177.50 3men n ASP 161 N -4.79 1.36 -3.59 0.57 2.03 -1.26 -1.83 116.55 109.04 3men n ASP 161 Ca 0.22 -2.18 -0.14 0.00 0.52 0.00 0.00 54.79 53.21 3men n ASP 161 Cb 0.54 -0.18 -0.07 0.00 -0.72 0.00 0.00 41.12 40.69 3men n ASP 161 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3men s ALA 162 N -1.24 -1.82 0.69 -1.67 0.00 -1.15 -4.49 121.76 112.07 3men s ALA 162 Ca 0.11 1.74 -0.11 0.00 0.00 0.00 0.00 51.96 53.70 3men s ALA 162 Cb 0.09 -0.80 0.01 0.00 0.00 0.00 0.00 23.12 22.41 3men s ALA 162 CO 0.01 -0.33 1.07 0.00 0.00 0.00 0.00 175.76 176.51 3men s ALA 163 N -0.28 2.95 0.00 0.00 0.00 -0.36 -0.33 121.76 123.74 3men s ALA 163 Ca -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.59 3men s ALA 163 Cb -0.03 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.09 3men s ALA 163 CO 0.03 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.14 3men n GLY 164 N -2.95 0.88 4.06 0.00 0.00 -0.49 -1.76 105.19 104.95 3men n GLY 164 Ca 0.07 -0.62 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 3men n GLY 164 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3men n GLY 165 N -0.08 -0.30 3.23 -0.02 0.00 -1.25 -0.41 105.19 106.36 3men n GLY 165 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3men n GLY 165 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3men n PHE 166 N -4.42 0.00 -4.20 1.61 3.72 0.64 -4.85 117.46 109.96 3men n PHE 166 Ca -0.17 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 56.91 3men n PHE 166 Cb 0.62 -0.47 -0.08 0.00 -0.94 0.00 0.00 39.48 38.60 3men n PHE 166 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3men n TYR 168 N 1.00 0.00 -4.70 0.00 4.01 -1.25 -1.39 117.16 114.82 3men n TYR 168 Ca -0.12 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.38 3men n TYR 168 Cb 0.52 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.40 3men n TYR 168 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3men s LEU 169 N -3.56 2.06 -1.09 7.72 1.43 -1.26 -4.70 118.68 119.27 3men s LEU 169 Ca 0.00 -0.33 -0.16 0.00 -1.03 0.00 0.00 54.13 52.61 3men s LEU 169 Cb 0.00 -0.82 0.15 0.00 0.03 0.00 0.00 46.19 45.55 3men s LEU 169 CO 0.00 0.18 1.32 0.21 0.23 0.00 0.00 176.35 178.29 3men s ASN 170 N -0.54 6.87 0.23 2.29 3.84 -1.26 -4.14 114.94 122.23 3men s ASN 170 Ca 0.06 -2.54 -0.07 0.00 0.21 0.00 0.00 52.86 50.51 3men s ASN 170 Cb -0.07 -2.41 0.38 0.00 -0.55 0.00 0.00 41.25 38.61 3men s ASN 170 CO -0.00 -0.91 1.70 0.78 -2.79 0.00 0.00 177.10 175.87 3men h ASN 171 N 7.93 0.03 -0.24 -4.21 2.35 -1.90 -1.31 115.58 118.24 3men h ASN 171 Ca 0.25 0.13 -0.11 0.00 -0.55 0.00 0.00 56.30 56.02 3men h ASN 171 Cb 0.94 0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 3men h ASN 171 CO 1.20 -0.00 -0.23 0.00 -1.65 0.00 0.00 177.43 176.75 3men h ALA 172 N 1.55 0.92 -0.08 -0.83 0.00 -1.90 -1.12 119.26 117.79 3men h ALA 172 Ca 0.37 -0.37 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 3men h ALA 172 Cb 0.59 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3men h ALA 172 CO -0.45 0.62 -0.68 0.00 0.00 0.00 0.00 179.25 178.73 3men h ALA 173 N 1.12 0.67 -0.49 0.00 0.00 -1.82 -1.26 119.26 117.49 3men h ALA 173 Ca 0.09 -0.59 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 3men h ALA 173 Cb 0.72 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3men h ALA 173 CO 0.06 0.75 0.04 0.82 0.00 0.00 0.00 179.25 180.92 3men h ILE 174 N 0.26 1.26 -0.30 0.00 2.04 -0.98 -1.91 117.51 117.87 3men h ILE 174 Ca -0.02 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 64.83 3men h ILE 174 Cb 1.24 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 3men h ILE 174 CO 0.11 0.36 0.19 0.00 0.00 0.00 0.00 178.15 178.81 3men h ALA 175 N 0.95 0.38 -0.13 1.87 0.00 -1.14 -1.51 119.26 119.68 3men h ALA 175 Ca 0.14 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3men h ALA 175 Cb 0.46 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3men h ALA 175 CO 0.02 -0.14 0.03 0.00 0.00 0.00 0.00 179.25 179.16 3men h ALA 176 N 1.09 0.13 -0.98 0.00 0.00 -1.05 -1.02 119.26 117.44 3men h ALA 176 Ca 0.11 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3men h ALA 176 Cb -0.02 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3men h ALA 176 CO -0.02 -0.42 0.65 0.37 0.00 0.00 0.00 179.25 179.82 3men h GLN 177 N 0.09 1.27 -0.15 0.00 5.75 -1.25 -2.02 115.11 118.80 3men h GLN 177 Ca 0.06 -0.08 -0.07 0.00 -0.15 0.00 0.00 58.65 58.41 3men h GLN 177 Cb 0.04 -0.29 -0.01 0.00 1.07 0.00 0.00 27.48 28.29 3men h GLN 177 CO -0.07 0.84 -0.21 0.00 -2.65 0.00 0.00 178.83 176.74 3men h ALA 178 N 1.40 1.36 -0.03 3.38 0.00 -0.76 -2.92 119.26 121.68 3men h ALA 178 Ca 0.36 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3men h ALA 178 Cb -0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3men h ALA 178 CO -0.08 0.44 -0.43 -0.07 0.00 0.00 0.00 179.25 179.10 3men h LEU 179 N 0.24 0.07 0.00 0.00 3.38 -0.51 -3.08 115.31 115.41 3men h LEU 179 Ca 0.04 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3men h LEU 179 Cb 0.52 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3men h LEU 179 CO 0.04 0.49 0.00 0.54 0.09 0.00 0.00 178.44 179.60 3men n ARG 180 N -4.02 0.12 0.07 1.13 5.12 -0.89 -1.64 116.66 116.55 3men n ARG 180 Ca -0.02 0.21 -0.08 0.00 -1.93 0.00 0.00 57.85 56.03 3men n ARG 180 Cb 0.47 -1.50 0.05 0.00 -1.16 0.00 0.00 32.46 30.32 3men n ARG 180 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3men h ALA 181 N 2.39 0.66 0.00 7.54 0.00 -1.66 -3.37 119.26 124.82 3men h ALA 181 Ca 0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 54.91 54.24 3men h ALA 181 Cb 0.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3men h ALA 181 CO 0.00 0.79 -1.09 2.89 0.00 0.00 0.00 179.25 181.84 3men n ARG 182 N -3.81 0.52 -3.05 0.00 -4.01 -0.87 -5.02 116.66 100.44 3men n ARG 182 Ca -0.03 0.27 -0.40 0.00 -1.04 0.00 0.00 57.85 56.64 3men n ARG 182 Cb 0.70 -1.48 -0.05 0.00 -3.04 0.00 0.00 32.46 28.59 3men n ARG 182 CO 0.00 0.00 0.00 -1.01 -3.04 0.00 0.00 177.63 173.58 3men s HIS 183 N -2.76 3.45 0.39 2.89 3.76 -0.65 -4.99 115.29 117.38 3men s HIS 183 Ca -0.28 1.10 0.08 0.00 -0.15 0.00 0.00 55.06 55.81 3men s HIS 183 Cb 0.05 -2.84 0.79 0.00 1.11 0.00 0.00 32.58 31.69 3men s HIS 183 CO 0.41 -0.10 1.95 0.00 -0.85 0.00 0.00 174.74 176.15 3men h ALA 184 N 7.21 1.55 -3.33 -1.40 0.00 -1.88 -3.37 119.26 118.03 3men h ALA 184 Ca -0.34 -0.15 -0.53 0.00 0.00 0.00 0.00 54.91 53.88 3men h ALA 184 Cb 1.16 -0.11 -0.34 0.00 0.00 0.00 0.00 17.79 18.49 3men h ALA 184 CO 0.78 0.33 -0.82 1.03 0.00 0.00 0.00 179.25 180.58 3men s ARG 185 N -4.96 1.77 -0.05 0.00 0.52 -1.26 -4.86 118.95 110.10 3men s ARG 185 Ca -0.06 -0.41 0.04 0.00 -0.52 0.00 0.00 55.73 54.78 3men s ARG 185 Cb 0.16 -1.55 -0.00 0.00 0.52 0.00 0.00 34.95 34.08 3men s ARG 185 CO 0.74 -0.06 -0.18 0.08 0.02 0.00 0.00 175.30 175.90 3men s VAL 186 N 0.97 1.53 0.07 3.52 1.01 -0.89 -0.87 120.40 125.74 3men s VAL 186 Ca -0.08 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.16 3men s VAL 186 Cb -0.15 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 3men s VAL 186 CO -0.00 0.44 0.07 0.00 0.00 0.00 0.00 175.10 175.61 3men s ALA 187 N 0.12 3.54 -0.16 5.51 0.00 -0.41 -1.96 121.76 128.40 3men s ALA 187 Ca -0.07 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.90 3men s ALA 187 Cb -0.13 -1.43 0.02 0.00 0.00 0.00 0.00 23.12 21.58 3men s ALA 187 CO 0.03 0.74 -0.18 0.08 0.00 0.00 0.00 175.76 176.43 3men s VAL 188 N -1.36 1.88 -0.12 0.00 1.01 -0.46 -0.86 120.40 120.49 3men s VAL 188 Ca 0.28 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 3men s VAL 188 Cb -0.12 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 3men s VAL 188 CO 0.21 0.51 -0.09 -0.22 0.00 0.00 0.00 175.10 175.51 3men s LEU 189 N 1.25 2.99 -0.27 3.92 2.96 -0.34 -1.66 118.68 127.53 3men s LEU 189 Ca 0.02 -0.19 0.02 0.00 -0.22 0.00 0.00 54.13 53.76 3men s LEU 189 Cb -0.13 -1.68 0.07 0.00 0.50 0.00 0.00 46.19 44.95 3men s LEU 189 CO -0.10 0.21 -0.03 -0.62 -1.32 0.00 0.00 176.35 174.50 3men s ASP 190 N 0.08 4.20 0.00 3.68 -1.08 0.06 -0.57 116.67 123.04 3men s ASP 190 Ca -0.03 -1.49 0.20 0.00 -0.52 0.00 0.00 52.55 50.71 3men s ASP 190 Cb -0.14 -1.33 0.36 0.00 -1.46 0.00 0.00 42.92 40.35 3men s ASP 190 CO 0.04 -0.28 1.30 0.35 0.52 0.00 0.00 175.17 177.10 3men n THR 191 N 4.54 0.50 -1.29 1.71 -2.24 -0.34 -1.52 114.28 115.65 3men n THR 191 Ca -0.08 -0.75 -0.34 0.00 -2.27 0.00 0.00 64.05 60.61 3men n THR 191 Cb 0.43 0.95 0.11 0.00 -2.10 0.00 0.00 70.33 69.72 3men n THR 191 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3men s ASP 192 N -1.33 3.96 0.59 3.42 2.15 -1.24 -4.60 116.67 119.61 3men s ASP 192 Ca 0.33 2.33 0.29 0.00 0.43 0.00 0.00 52.55 55.92 3men s ASP 192 Cb 0.19 -2.58 1.66 0.00 -0.30 0.00 0.00 42.92 41.89 3men s ASP 192 CO 0.27 -2.42 2.09 -0.03 -0.17 0.00 0.00 175.17 174.91 3men h MET 193 N -0.60 0.00 -6.39 4.34 1.85 -1.82 -3.40 114.93 108.91 3men h MET 193 Ca -0.47 0.00 -0.67 0.00 -0.61 0.00 0.00 59.70 57.95 3men h MET 193 Cb 1.29 0.00 -0.16 0.00 0.43 0.00 0.00 31.60 33.16 3men h MET 193 CO 0.48 0.00 -0.71 -1.01 -0.40 0.00 0.00 176.91 175.27 3men s HIS 194 N -4.62 2.85 0.18 1.39 3.76 -1.26 -1.05 115.29 116.55 3men s HIS 194 Ca -0.05 -0.08 -0.31 0.00 -0.15 0.00 0.00 55.06 54.47 3men s HIS 194 Cb 0.15 -1.54 -0.10 0.00 1.11 0.00 0.00 32.58 32.19 3men s HIS 194 CO 0.54 0.40 1.59 -1.58 -0.85 0.00 0.00 174.74 174.84 3men s HIS 195 N -1.10 3.02 -1.42 1.40 5.65 -1.26 -4.90 115.29 116.68 3men s HIS 195 Ca 0.20 0.60 -0.14 0.00 0.25 0.00 0.00 55.06 55.97 3men s HIS 195 Cb -0.11 -3.97 0.06 0.00 -1.18 0.00 0.00 32.58 27.38 3men s HIS 195 CO 0.11 -3.55 2.12 0.41 -0.65 0.00 0.00 174.74 173.18 3men n GLY 196 N 3.63 4.27 0.25 1.59 0.00 -1.26 -4.67 105.19 109.01 3men n GLY 196 Ca 0.14 -1.65 0.10 0.00 0.00 0.00 0.00 46.02 44.60 3men n GLY 196 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3men h GLN 197 N 6.14 0.00 -0.83 1.61 -0.00 -1.88 0.22 115.11 120.36 3men h GLN 197 Ca 0.53 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 59.21 3men h GLN 197 Cb 0.66 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 28.10 3men h GLN 197 CO 1.80 0.11 0.53 0.78 -0.00 0.00 0.00 178.83 182.06 3men h GLY 198 N 0.47 1.20 0.79 0.06 0.00 -1.44 -1.84 103.07 102.32 3men h GLY 198 Ca -0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 46.79 3men h GLY 198 CO 0.01 0.35 -0.48 -2.22 0.00 0.00 0.00 176.54 174.20 3men h ILE 199 N 1.05 1.40 -0.26 2.60 2.04 -0.54 -2.64 117.51 121.16 3men h ILE 199 Ca 0.33 -1.89 0.06 0.00 1.00 0.00 0.00 64.86 64.36 3men h ILE 199 Cb -0.01 2.37 -0.08 0.00 -0.74 0.00 0.00 36.82 38.37 3men h ILE 199 CO -0.11 0.55 -0.36 -0.61 0.00 0.00 0.00 178.15 177.63 3men h GLN 200 N -0.03 -0.34 -0.55 2.37 4.15 -1.39 -1.91 115.11 117.40 3men h GLN 200 Ca -0.04 0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.49 3men h GLN 200 Cb 1.16 0.08 -0.07 0.00 0.21 0.00 0.00 27.48 28.85 3men h GLN 200 CO 0.10 -0.23 0.18 1.49 -1.93 0.00 0.00 178.83 178.43 3men h GLU 201 N -0.36 0.33 -0.86 1.69 4.81 -1.33 -1.62 114.58 117.25 3men h GLU 201 Ca 0.12 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3men h GLU 201 Cb 0.57 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.83 3men h GLU 201 CO -0.46 0.22 0.51 0.82 -0.73 0.00 0.00 179.01 179.37 3men h ILE 202 N 0.34 1.24 -0.45 2.32 2.04 -0.97 -2.67 117.51 119.36 3men h ILE 202 Ca 0.28 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.59 3men h ILE 202 Cb 0.35 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 3men h ILE 202 CO -0.31 0.26 0.00 0.49 0.00 0.00 0.00 178.15 178.59 3men n PHE 203 N -4.41 1.23 -0.22 1.37 3.72 -1.07 -4.78 117.46 113.30 3men n PHE 203 Ca 0.09 -0.70 -0.01 0.00 -0.05 0.00 0.00 57.45 56.78 3men n PHE 203 Cb 0.07 -0.28 0.22 0.00 -0.94 0.00 0.00 39.48 38.55 3men n PHE 203 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 3men h TYR 204 N 2.95 0.97 -0.60 1.38 3.20 -0.92 -1.20 116.97 122.74 3men h TYR 204 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3men h TYR 204 Cb 1.42 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 39.37 3men h TYR 204 CO 0.64 0.65 0.00 0.00 -1.64 0.00 0.00 178.16 177.81 3men n ALA 205 N -2.43 2.52 -2.47 1.82 0.00 -1.26 -2.10 120.51 116.60 3men n ALA 205 Ca 0.08 -1.12 -0.30 0.00 0.00 0.00 0.00 53.44 52.09 3men n ALA 205 Cb 0.07 -0.97 -0.12 0.00 0.00 0.00 0.00 19.45 18.43 3men n ALA 205 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3men s ARG 206 N -1.30 1.97 0.00 0.00 0.52 -0.46 -3.23 118.95 116.45 3men s ARG 206 Ca 0.41 -1.06 0.12 0.00 -0.52 0.00 0.00 55.73 54.69 3men s ARG 206 Cb 0.23 -2.17 -0.07 0.00 0.52 0.00 0.00 34.95 33.46 3men s ARG 206 CO 0.26 0.52 0.59 2.89 0.02 0.00 0.00 175.30 179.58 3men n ARG 207 N 1.24 2.65 0.16 3.54 1.85 -1.26 -4.22 116.66 120.62 3men n ARG 207 Ca -0.16 -0.29 0.04 0.00 -1.00 0.00 0.00 57.85 56.44 3men n ARG 207 Cb 0.52 -1.09 0.08 0.00 -1.05 0.00 0.00 32.46 30.92 3men n ARG 207 CO 0.00 0.00 0.00 0.38 -0.01 0.00 0.00 177.63 178.00 3men h ASP 208 N 0.58 0.00 -3.21 2.89 2.03 -1.94 -3.42 116.42 113.36 3men h ASP 208 Ca 0.00 0.00 -0.65 0.00 -0.73 0.00 0.00 57.03 55.65 3men h ASP 208 Cb 0.33 0.00 -0.34 0.00 -0.83 0.00 0.00 39.33 38.49 3men h ASP 208 CO 0.00 0.42 -0.86 -0.69 -1.03 0.00 0.00 179.24 177.08 3men s VAL 209 N -3.05 1.89 0.08 4.15 1.01 -1.26 -2.09 120.40 121.13 3men s VAL 209 Ca 0.04 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 61.01 3men s VAL 209 Cb 0.07 -1.69 -0.06 0.00 0.00 0.00 0.00 36.38 34.70 3men s VAL 209 CO 0.73 0.52 0.45 -0.22 0.00 0.00 0.00 175.10 176.58 3men s LEU 210 N 0.90 4.39 -0.11 3.92 2.96 -0.83 -4.87 118.68 125.03 3men s LEU 210 Ca -0.06 0.94 0.03 0.00 -0.22 0.00 0.00 54.13 54.82 3men s LEU 210 Cb -0.15 -2.95 0.01 0.00 0.50 0.00 0.00 46.19 43.60 3men s LEU 210 CO -0.02 0.20 -0.19 -0.47 -1.32 0.00 0.00 176.35 174.55 3men s TYR 211 N -1.31 2.25 -0.11 5.38 5.04 -0.99 -1.36 117.35 126.25 3men s TYR 211 Ca 0.32 -1.03 -0.00 0.00 -2.44 0.00 0.00 57.07 53.91 3men s TYR 211 Cb -0.15 -1.56 0.02 0.00 0.35 0.00 0.00 41.96 40.62 3men s TYR 211 CO 0.17 -0.48 -0.07 0.08 -1.34 0.00 0.00 175.55 173.90 3men s VAL 212 N 0.76 0.99 -0.07 3.14 1.01 -0.66 -0.77 120.40 124.79 3men s VAL 212 Ca -0.10 -0.28 0.03 0.00 0.00 0.00 0.00 61.98 61.63 3men s VAL 212 Cb -0.16 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.22 3men s VAL 212 CO 0.01 0.36 -0.17 -0.55 0.00 0.00 0.00 175.10 174.75 3men s SER 213 N 1.62 2.31 -0.18 3.32 0.15 -0.37 -0.76 113.70 119.78 3men s SER 213 Ca 0.03 -0.40 -0.05 0.00 0.70 0.00 0.00 55.95 56.23 3men s SER 213 Cb -0.13 -0.95 -0.03 0.00 -1.71 0.00 0.00 66.02 63.21 3men s SER 213 CO -0.07 0.11 -0.00 -0.63 1.20 0.00 0.00 173.24 173.85 3men s ILE 214 N 0.39 4.05 0.17 6.45 1.01 -0.58 0.31 121.20 132.99 3men s ILE 214 Ca -0.13 -0.29 -0.24 0.00 0.00 0.00 0.00 60.65 59.99 3men s ILE 214 Cb -0.15 -2.81 0.06 0.00 0.01 0.00 0.00 42.46 39.57 3men s ILE 214 CO 0.05 0.45 0.96 -1.38 0.00 0.00 0.00 174.94 175.02 3men s HIS 215 N 0.71 -0.10 0.44 3.97 -3.43 -1.12 -4.29 115.29 111.46 3men s HIS 215 Ca -0.00 -0.23 -0.25 0.00 -0.80 0.00 0.00 55.06 53.78 3men s HIS 215 Cb -0.14 0.66 -0.08 0.00 -1.43 0.00 0.00 32.58 31.59 3men s HIS 215 CO 0.02 -0.88 1.29 0.20 -2.00 0.00 0.00 174.74 173.37 3men s GLY 216 N -3.00 2.89 -0.26 -1.38 0.00 -0.21 0.13 107.32 105.49 3men s GLY 216 Ca 0.13 1.20 -0.38 0.00 0.00 0.00 0.00 44.72 45.67 3men s GLY 216 CO 0.03 1.75 1.88 1.34 0.00 0.00 0.00 173.10 178.10 3men n ASP 217 N -0.19 2.54 0.07 1.64 2.03 -0.37 -4.59 116.55 117.66 3men n ASP 217 Ca 0.05 0.91 0.08 0.00 0.52 0.00 0.00 54.79 56.36 3men n ASP 217 Cb 0.45 -1.21 0.37 0.00 -0.72 0.00 0.00 41.12 40.01 3men n ASP 217 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3men n PRO 218 N 6.29 0.09 -1.65 -0.67 -0.02 -1.26 -4.41 135.00 133.37 3men n PRO 218 Ca 0.29 0.39 -0.58 0.00 -2.02 0.00 0.00 63.50 61.58 3men n PRO 218 Cb 0.18 -1.69 -0.08 0.00 -0.02 0.00 0.00 33.50 31.89 3men n PRO 218 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3men n THR 219 N -1.86 0.24 -3.54 3.45 -1.04 -1.26 -0.57 114.28 109.69 3men n THR 219 Ca 0.02 -0.07 -0.24 0.00 -2.04 0.00 0.00 64.05 61.72 3men n THR 219 Cb 0.15 -1.14 -0.03 0.00 -1.82 0.00 0.00 70.33 67.49 3men n THR 219 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3men n ASN 220 N 6.00 -2.44 -3.72 8.00 3.02 -1.26 -4.93 115.26 119.93 3men n ASN 220 Ca 0.31 -0.46 -0.12 0.00 -0.03 0.00 0.00 54.58 54.28 3men n ASN 220 Cb 0.11 -2.09 -0.13 0.00 -0.61 0.00 0.00 39.78 37.06 3men n ASN 220 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3men s PHE 221 N -2.81 -0.37 0.22 3.10 5.36 0.26 -5.04 117.98 118.71 3men s PHE 221 Ca 0.45 0.86 -0.31 0.00 -0.96 0.00 0.00 56.93 56.97 3men s PHE 221 Cb -0.25 0.06 -0.15 0.00 -0.34 0.00 0.00 43.02 42.34 3men s PHE 221 CO 0.55 -0.26 1.10 0.98 -1.46 0.00 0.00 175.22 176.13 3men n TYR 222 N 4.36 1.28 1.39 10.12 9.36 -1.26 -0.82 117.16 141.60 3men n TYR 222 Ca -0.23 0.68 0.15 0.00 3.32 0.00 0.00 57.90 61.82 3men n TYR 222 Cb 0.53 -2.27 0.74 0.00 -0.63 0.00 0.00 39.34 37.71 3men n TYR 222 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3men n PRO 223 N 1.34 0.41 0.00 2.98 -0.04 -1.26 -4.44 135.00 133.99 3men n PRO 223 Ca 0.13 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 3men n PRO 223 Cb 0.28 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 3men n PRO 223 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3men n ALA 224 N -1.28 0.00 0.69 0.55 0.00 0.00 -4.41 120.51 116.07 3men n ALA 224 Ca 0.14 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.65 3men n ALA 224 Cb 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.67 3men n ALA 224 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3men n VAL 225 N 0.00 0.00 -4.00 0.00 0.24 -1.26 -4.65 118.33 108.65 3men n VAL 225 Ca 0.00 -0.26 -0.10 0.00 -2.04 0.00 0.00 64.34 61.94 3men n VAL 225 Cb 0.00 1.11 -0.07 0.00 -1.47 0.00 0.00 33.84 33.41 3men n VAL 225 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3men s ALA 226 N -2.07 0.09 0.00 2.33 0.00 -1.26 -4.96 121.76 115.89 3men s ALA 226 Ca 0.10 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.07 3men s ALA 226 Cb 0.12 0.99 0.00 0.00 0.00 0.00 0.00 23.12 24.23 3men s ALA 226 CO 0.48 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.95 3men n GLY 227 N -0.27 1.06 3.81 0.00 0.00 -1.26 -4.64 105.19 103.88 3men n GLY 227 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 3men n GLY 227 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3men s PHE 228 N -2.00 3.15 -0.99 1.61 0.08 -1.26 -4.61 117.98 113.96 3men s PHE 228 Ca 0.00 1.60 0.07 0.00 0.12 0.00 0.00 56.93 58.71 3men s PHE 228 Cb 0.00 -2.97 0.28 0.00 -0.57 0.00 0.00 43.02 39.76 3men s PHE 228 CO 0.00 -0.49 1.21 -0.40 -0.10 0.00 0.00 175.22 175.44 3men n ASP 229 N -0.79 0.01 -0.34 1.36 5.68 -1.26 -2.37 116.55 118.84 3men n ASP 229 Ca 0.08 0.50 0.15 0.00 -0.50 0.00 0.00 54.79 55.02 3men n ASP 229 Cb 0.53 -0.51 0.64 0.00 -1.14 0.00 0.00 41.12 40.65 3men n ASP 229 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3men n ASP 230 N -1.51 1.07 -4.46 -1.12 5.75 -1.26 -4.68 116.55 110.33 3men n ASP 230 Ca 0.01 -1.35 -0.43 0.00 -0.01 0.00 0.00 54.79 53.02 3men n ASP 230 Cb 0.07 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.11 3men n ASP 230 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3men s GLU 231 N -2.01 3.18 -0.04 0.11 2.02 -1.00 -4.87 118.70 116.09 3men s GLU 231 Ca 0.41 -0.74 0.06 0.00 0.02 0.00 0.00 54.97 54.71 3men s GLU 231 Cb 0.21 -4.12 0.08 0.00 0.10 0.00 0.00 34.13 30.41 3men s GLU 231 CO 0.35 -1.41 0.97 0.54 0.02 0.00 0.00 175.26 175.73 3men n ARG 232 N 6.79 1.80 0.00 1.61 1.74 -1.26 -4.49 116.66 122.84 3men n ARG 232 Ca -0.04 -1.63 0.00 0.00 -0.77 0.00 0.00 57.85 55.41 3men n ARG 232 Cb 0.46 -1.03 0.00 0.00 -1.02 0.00 0.00 32.46 30.87 3men n ARG 232 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3men n GLY 233 N -0.66 -3.02 3.09 -0.13 0.00 -1.26 -0.50 105.19 102.71 3men n GLY 233 Ca 0.05 -2.13 -0.12 0.00 0.00 0.00 0.00 46.02 43.81 3men n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3men s ALA 234 N -1.29 -0.44 0.00 4.61 0.00 -0.89 -4.52 121.76 119.24 3men s ALA 234 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.26 3men s ALA 234 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.97 3men s ALA 234 CO 0.00 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.03 3men n GLY 235 N 2.39 3.17 0.54 0.00 0.00 -1.26 -0.73 105.19 109.29 3men n GLY 235 Ca -0.16 -0.24 0.38 0.00 0.00 0.00 0.00 46.02 46.00 3men n GLY 235 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3men h GLU 236 N 0.00 0.08 -0.39 1.61 -0.00 -1.94 -1.75 114.58 112.18 3men h GLU 236 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 3men h GLU 236 Cb 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 28.73 3men h GLU 236 CO 0.00 0.05 0.00 0.41 -0.00 0.00 0.00 179.01 179.47 3men n GLY 237 N -1.69 0.90 3.73 1.06 0.00 0.09 -4.34 105.19 104.93 3men n GLY 237 Ca 0.33 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 3men n GLY 237 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3men s LEU 238 N -1.07 4.38 0.00 0.99 2.96 -0.66 -1.71 118.68 123.57 3men s LEU 238 Ca 0.29 2.50 0.00 0.00 -0.22 0.00 0.00 54.13 56.69 3men s LEU 238 Cb 0.15 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.24 3men s LEU 238 CO 0.20 -0.68 0.00 0.61 -1.32 0.00 0.00 176.35 175.16 3men n GLY 239 N 2.96 0.40 0.15 7.98 0.00 0.34 -4.93 105.19 112.09 3men n GLY 239 Ca 0.10 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.21 3men n GLY 239 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3men n TYR 240 N -2.73 0.02 -4.01 1.61 4.01 -0.69 -4.93 117.16 110.44 3men n TYR 240 Ca 0.00 -1.05 -0.23 0.00 -0.16 0.00 0.00 57.90 56.46 3men n TYR 240 Cb 0.11 -0.16 -0.17 0.00 -0.31 0.00 0.00 39.34 38.81 3men n TYR 240 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 3men s ASN 241 N -2.90 1.47 -0.13 7.72 2.47 -1.24 -2.35 114.94 119.98 3men s ASN 241 Ca 0.33 -0.16 -0.02 0.00 0.42 0.00 0.00 52.86 53.44 3men s ASN 241 Cb 0.29 -0.55 0.04 0.00 -1.45 0.00 0.00 41.25 39.58 3men s ASN 241 CO 0.02 -0.11 -0.00 -0.69 -3.72 0.00 0.00 177.10 172.60 3men s VAL 242 N 1.42 0.62 -0.19 -5.21 1.01 0.05 -4.26 120.40 113.84 3men s VAL 242 Ca -0.03 -0.28 -0.07 0.00 0.00 0.00 0.00 61.98 61.60 3men s VAL 242 Cb -0.13 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 3men s VAL 242 CO -0.03 0.09 0.06 0.20 0.00 0.00 0.00 175.10 175.42 3men s ASN 243 N 1.85 5.57 -0.64 3.32 0.01 -1.26 -1.24 114.94 122.55 3men s ASN 243 Ca 0.02 0.06 0.06 0.00 -0.71 0.00 0.00 52.86 52.29 3men s ASN 243 Cb -0.14 -1.96 0.23 0.00 0.41 0.00 0.00 41.25 39.79 3men s ASN 243 CO -0.07 0.16 0.69 0.18 -1.51 0.00 0.00 177.10 176.55 3men n LEU 244 N 3.62 3.43 -4.77 0.60 4.77 0.15 -4.45 117.00 120.35 3men n LEU 244 Ca -0.17 -5.36 -0.31 0.00 -0.03 0.00 0.00 56.01 50.15 3men n LEU 244 Cb 0.52 -0.61 0.09 0.00 -2.33 0.00 0.00 43.42 41.09 3men n LEU 244 CO 0.35 2.00 0.70 -2.16 -1.33 0.00 0.00 177.39 176.95 3men s PRO 245 N -2.21 2.21 -0.01 3.23 0.04 -1.26 -2.80 135.00 134.19 3men s PRO 245 Ca 0.37 1.16 0.02 0.00 0.04 0.00 0.00 61.00 62.60 3men s PRO 245 Cb 0.11 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.76 3men s PRO 245 CO -0.05 -1.67 -0.08 -1.64 0.04 0.00 0.00 177.00 173.60 3men s MET 246 N -4.90 0.72 0.54 4.56 -1.94 0.12 -4.85 119.30 113.55 3men s MET 246 Ca 0.61 -0.29 -0.19 0.00 -1.71 0.00 0.00 55.69 54.11 3men s MET 246 Cb -0.17 -0.69 -0.09 0.00 2.01 0.00 0.00 34.83 35.88 3men s MET 246 CO 0.56 0.16 0.62 -2.30 -0.01 0.00 0.00 175.02 174.05 3men n PRO 247 N 2.99 0.64 -1.94 2.03 -0.02 -1.26 -1.24 135.00 136.20 3men n PRO 247 Ca -0.15 0.24 -0.38 0.00 -2.02 0.00 0.00 63.50 61.20 3men n PRO 247 Cb 0.56 -1.76 0.03 0.00 -0.02 0.00 0.00 33.50 32.31 3men n PRO 247 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3men s HIS 248 N -1.62 2.45 0.00 6.00 3.76 -1.26 -3.51 115.29 121.11 3men s HIS 248 Ca 0.68 1.44 0.00 0.00 -0.15 0.00 0.00 55.06 57.04 3men s HIS 248 Cb -0.47 -3.63 0.00 0.00 1.11 0.00 0.00 32.58 29.58 3men s HIS 248 CO 0.54 -2.42 0.00 0.41 -0.85 0.00 0.00 174.74 172.42 3men n GLY 249 N 0.63 0.40 3.91 -2.22 0.00 -0.92 -5.04 105.19 101.94 3men n GLY 249 Ca 0.10 -1.03 -0.27 0.00 0.00 0.00 0.00 46.02 44.82 3men n GLY 249 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3men s SER 250 N -2.94 5.92 0.44 1.61 0.01 -1.09 -4.93 113.70 112.71 3men s SER 250 Ca 0.00 0.84 0.00 0.00 1.31 0.00 0.00 55.95 58.11 3men s SER 250 Cb 0.00 -1.98 -0.01 0.00 0.21 0.00 0.00 66.02 64.25 3men s SER 250 CO 0.00 -0.84 0.66 -0.94 0.41 0.00 0.00 173.24 172.52 3men s SER 251 N -4.21 5.89 0.44 2.44 1.04 -1.26 -1.24 113.70 116.79 3men s SER 251 Ca 0.51 0.30 0.12 0.00 0.48 0.00 0.00 55.95 57.36 3men s SER 251 Cb -0.10 -1.58 1.00 0.00 0.10 0.00 0.00 66.02 65.44 3men s SER 251 CO 0.45 -0.65 2.02 -0.08 0.98 0.00 0.00 173.24 175.96 3men h GLU 252 N 0.44 0.40 0.29 4.02 4.81 -1.94 -2.17 114.58 120.43 3men h GLU 252 Ca -0.46 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3men h GLU 252 Cb 1.25 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 3men h GLU 252 CO 0.58 0.26 -0.26 0.00 -0.73 0.00 0.00 179.01 178.86 3men h ALA 253 N 1.74 -0.55 -0.72 2.92 0.00 -1.94 -2.76 119.26 117.95 3men h ALA 253 Ca 0.21 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.19 3men h ALA 253 Cb 0.30 0.36 -0.11 0.00 0.00 0.00 0.00 17.79 18.34 3men h ALA 253 CO -0.05 -0.84 0.12 0.00 0.00 0.00 0.00 179.25 178.47 3men h ALA 254 N 0.06 0.87 -0.87 0.00 0.00 -1.78 -1.30 119.26 116.24 3men h ALA 254 Ca -0.01 0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.15 3men h ALA 254 Cb 0.51 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 3men h ALA 254 CO -0.04 -0.37 0.54 0.35 0.00 0.00 0.00 179.25 179.73 3men h PHE 255 N 0.21 0.99 0.00 0.00 3.57 -1.22 -2.31 116.94 118.18 3men h PHE 255 Ca 0.40 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.80 3men h PHE 255 Cb 0.69 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 3men h PHE 255 CO -0.31 0.49 -0.73 0.74 -2.23 0.00 0.00 178.31 176.26 3men h PHE 256 N 0.96 0.00 -0.50 0.41 0.04 -1.07 -1.92 116.94 114.86 3men h PHE 256 Ca 0.39 0.00 0.10 0.00 2.80 0.00 0.00 57.97 61.26 3men h PHE 256 Cb 0.21 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.27 3men h PHE 256 CO -0.03 0.59 -0.14 0.93 -0.60 0.00 0.00 178.31 179.05 3men h GLU 257 N 0.00 -0.02 -0.30 1.51 5.08 -0.82 -1.70 114.58 118.33 3men h GLU 257 Ca -0.03 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 3men h GLU 257 Cb 1.48 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.72 3men h GLU 257 CO 0.07 -0.01 -0.10 0.00 -1.00 0.00 0.00 179.01 177.96 3men h ARG 258 N -0.02 0.50 -0.20 2.33 2.47 -0.95 -2.11 114.38 116.39 3men h ARG 258 Ca 0.24 -0.14 -0.02 0.00 -1.26 0.00 0.00 59.98 58.81 3men h ARG 258 Cb 0.39 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.64 3men h ARG 258 CO -0.52 0.60 0.06 0.28 0.56 0.00 0.00 179.97 180.95 3men h VAL 259 N 0.46 1.19 -0.77 2.04 2.07 -1.13 -1.70 116.25 118.41 3men h VAL 259 Ca 0.09 -0.59 0.18 0.00 0.82 0.00 0.00 66.70 67.20 3men h VAL 259 Cb 0.46 1.20 -0.13 0.00 -1.52 0.00 0.00 31.29 31.30 3men h VAL 259 CO 0.03 0.18 0.03 0.44 0.02 0.00 0.00 177.57 178.27 3men h ASP 260 N 0.15 -0.31 -0.73 0.57 5.19 -0.80 0.10 116.42 120.59 3men h ASP 260 Ca 0.06 0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 3men h ASP 260 Cb 0.23 0.34 -0.04 0.00 0.18 0.00 0.00 39.33 40.04 3men h ASP 260 CO -0.00 -0.18 0.46 0.44 -3.12 0.00 0.00 179.24 176.84 3men h ASP 261 N 0.11 0.86 -0.53 6.45 3.32 -0.90 -2.58 116.42 123.15 3men h ASP 261 Ca 0.43 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.42 3men h ASP 261 Cb 0.77 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 3men h ASP 261 CO -0.67 0.65 0.27 0.00 -1.72 0.00 0.00 179.24 177.77 3men h ALA 262 N 1.25 0.69 -0.59 3.45 0.00 0.04 -2.22 119.26 121.87 3men h ALA 262 Ca 0.27 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3men h ALA 262 Cb -0.07 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3men h ALA 262 CO -0.05 0.23 0.30 -0.07 0.00 0.00 0.00 179.25 179.66 3men h LEU 263 N 0.72 0.74 -0.28 0.00 3.38 -1.03 0.78 115.31 119.62 3men h LEU 263 Ca 0.19 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.12 3men h LEU 263 Cb 0.09 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 3men h LEU 263 CO -0.03 0.62 0.09 -0.09 0.09 0.00 0.00 178.44 179.12 3men h ARG 264 N 0.83 0.20 -0.63 1.13 2.43 -1.07 -0.28 114.38 117.00 3men h ARG 264 Ca 0.21 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.28 3men h ARG 264 Cb 0.07 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 3men h ARG 264 CO -0.03 0.13 0.07 0.93 -1.51 0.00 0.00 179.97 179.57 3men h GLU 265 N 0.21 1.06 -0.26 0.20 4.39 -0.65 -1.94 114.58 117.59 3men h GLU 265 Ca 0.12 -0.29 -0.07 0.00 0.34 0.00 0.00 59.36 59.47 3men h GLU 265 Cb 0.10 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 3men h GLU 265 CO -0.14 0.99 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.54 3men h LEU 266 N 0.99 0.53 -0.46 1.33 3.38 -0.76 -1.84 115.31 118.46 3men h LEU 266 Ca 0.19 -0.39 0.06 0.00 0.09 0.00 0.00 57.88 57.84 3men h LEU 266 Cb 0.47 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 3men h LEU 266 CO 0.02 0.80 0.15 0.03 0.09 0.00 0.00 178.44 179.53 3men h ARG 267 N 0.26 0.31 -0.43 1.13 3.08 -0.88 0.12 114.38 117.98 3men h ARG 267 Ca 0.06 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 3men h ARG 267 Cb 0.58 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 3men h ARG 267 CO 0.03 0.21 0.05 -0.09 -1.07 0.00 0.00 179.97 179.10 3men h ARG 268 N 0.32 0.72 -0.54 0.04 2.43 -1.25 -2.71 114.38 113.40 3men h ARG 268 Ca 0.22 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3men h ARG 268 Cb 0.23 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 3men h ARG 268 CO -0.24 0.76 0.26 0.35 -1.51 0.00 0.00 179.97 179.59 3men h PHE 269 N 0.57 0.74 -6.17 2.20 3.57 -1.22 -3.48 116.94 113.15 3men h PHE 269 Ca 0.13 -0.02 -0.36 0.00 3.53 0.00 0.00 57.97 61.25 3men h PHE 269 Cb 0.40 -0.24 0.05 0.00 2.79 0.00 0.00 35.95 38.96 3men h PHE 269 CO 0.03 0.54 -0.79 0.00 -2.23 0.00 0.00 178.31 175.87 3men n ALA 270 N -2.46 -2.60 -1.78 2.41 0.00 0.42 -4.95 120.51 111.56 3men n ALA 270 Ca 0.05 -0.20 -0.35 0.00 0.00 0.00 0.00 53.44 52.93 3men n ALA 270 Cb 0.12 -2.89 -0.01 0.00 0.00 0.00 0.00 19.45 16.68 3men n ALA 270 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3men s PRO 271 N -5.17 3.51 0.21 0.00 0.04 -1.26 -4.95 135.00 127.38 3men s PRO 271 Ca 0.28 1.58 0.20 0.00 0.04 0.00 0.00 61.00 63.10 3men s PRO 271 Cb -0.10 -2.08 0.02 0.00 0.04 0.00 0.00 34.50 32.37 3men s PRO 271 CO 0.85 -0.72 1.12 -0.44 0.04 0.00 0.00 177.00 177.85 3men h ASP 272 N 1.40 0.00 -5.15 6.66 3.32 -1.37 -3.48 116.42 117.81 3men h ASP 272 Ca -0.50 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.46 3men h ASP 272 Cb 1.25 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.66 3men h ASP 272 CO 0.58 0.24 -0.42 0.00 -1.72 0.00 0.00 179.24 177.92 3men s ALA 273 N -3.15 -0.14 -0.06 3.45 0.00 -1.18 -4.45 121.76 116.23 3men s ALA 273 Ca 0.00 -0.65 0.04 0.00 0.00 0.00 0.00 51.96 51.35 3men s ALA 273 Cb 0.08 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.63 3men s ALA 273 CO 0.77 -0.47 -0.16 -1.17 0.00 0.00 0.00 175.76 174.73 3men s LEU 274 N -2.75 1.85 -0.20 0.00 2.96 -0.13 -1.29 118.68 119.12 3men s LEU 274 Ca 0.04 -0.35 -0.05 0.00 -0.22 0.00 0.00 54.13 53.55 3men s LEU 274 Cb 0.04 -0.96 -0.02 0.00 0.50 0.00 0.00 46.19 45.75 3men s LEU 274 CO -0.10 0.12 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.34 3men s VAL 275 N 0.26 3.78 -0.32 1.68 1.01 -0.04 -1.38 120.40 125.40 3men s VAL 275 Ca -0.09 -0.37 -0.08 0.00 0.00 0.00 0.00 61.98 61.45 3men s VAL 275 Cb -0.13 -2.71 0.02 0.00 0.00 0.00 0.00 36.38 33.55 3men s VAL 275 CO 0.03 0.43 0.11 -0.22 0.00 0.00 0.00 175.10 175.45 3men s LEU 276 N 1.09 4.08 -0.52 3.92 2.96 0.38 -1.20 118.68 129.39 3men s LEU 276 Ca 0.02 -0.81 -0.25 0.00 -0.22 0.00 0.00 54.13 52.87 3men s LEU 276 Cb -0.14 -1.91 0.03 0.00 0.50 0.00 0.00 46.19 44.67 3men s LEU 276 CO 0.01 -0.24 0.95 -0.44 -1.32 0.00 0.00 176.35 175.30 3men s SER 277 N 1.50 6.41 -0.16 3.68 0.01 0.27 -0.32 113.70 125.09 3men s SER 277 Ca 0.02 -0.15 -0.05 0.00 1.31 0.00 0.00 55.95 57.09 3men s SER 277 Cb -0.18 -2.45 -0.03 0.00 0.21 0.00 0.00 66.02 63.57 3men s SER 277 CO 0.03 -1.17 -0.01 -0.22 0.41 0.00 0.00 173.24 172.29 3men s LEU 278 N 3.92 3.42 0.01 2.44 2.96 0.31 -1.19 118.68 130.55 3men s LEU 278 Ca 0.34 -0.05 0.05 0.00 -0.22 0.00 0.00 54.13 54.24 3men s LEU 278 Cb -0.11 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 3men s LEU 278 CO 0.22 0.19 -0.16 -0.83 -1.32 0.00 0.00 176.35 174.45 3men s GLY 279 N 0.26 0.81 0.00 7.98 0.00 -1.26 -0.05 107.32 115.06 3men s GLY 279 Ca -0.01 -0.77 0.22 0.00 0.00 0.00 0.00 44.72 44.16 3men s GLY 279 CO 0.02 -0.69 1.52 0.69 0.00 0.00 0.00 173.10 174.64 3men n PHE 280 N 2.31 0.94 1.09 1.90 3.72 -0.61 -4.38 117.46 122.43 3men n PHE 280 Ca -0.16 -0.47 0.02 0.00 -0.05 0.00 0.00 57.45 56.80 3men n PHE 280 Cb 0.55 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 39.17 3men n PHE 280 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3men n ASP 281 N 1.58 1.41 0.11 4.37 5.75 -1.26 -2.46 116.55 126.04 3men n ASP 281 Ca 0.24 -2.09 0.12 0.00 -0.01 0.00 0.00 54.79 53.05 3men n ASP 281 Cb 0.60 -0.28 0.11 0.00 -1.03 0.00 0.00 41.12 40.52 3men n ASP 281 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 3men h VAL 282 N 1.01 0.00 -1.74 2.12 -1.51 -1.89 -3.36 116.25 110.89 3men h VAL 282 Ca 0.00 -0.80 -0.67 0.00 -1.23 0.00 0.00 66.70 64.00 3men h VAL 282 Cb 0.47 1.43 0.06 0.00 -2.13 0.00 0.00 31.29 31.12 3men h VAL 282 CO 0.05 0.00 0.46 -1.22 -1.23 0.00 0.00 177.57 175.63 3men n TYR 283 N -2.53 1.55 -0.24 5.19 0.53 -1.03 -2.91 117.16 117.72 3men n TYR 283 Ca 0.02 0.62 -0.01 0.00 -1.02 0.00 0.00 57.90 57.50 3men n TYR 283 Cb 0.50 -2.34 0.02 0.00 -1.03 0.00 0.00 39.34 36.49 3men n TYR 283 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 3men n ARG 284 N 2.53 -0.16 0.00 -0.72 3.00 -0.39 -1.49 116.66 119.43 3men n ARG 284 Ca 0.18 0.97 0.14 0.00 -0.01 0.00 0.00 57.85 59.12 3men n ARG 284 Cb 0.20 -1.43 0.50 0.00 0.00 0.00 0.00 32.46 31.73 3men n ARG 284 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3men n ASP 285 N -4.91 0.51 -4.75 0.55 8.00 -1.26 -4.84 116.55 109.85 3men n ASP 285 Ca 0.06 -0.42 -0.41 0.00 0.71 0.00 0.00 54.79 54.72 3men n ASP 285 Cb 0.24 -0.03 -0.02 0.00 -0.02 0.00 0.00 41.12 41.29 3men n ASP 285 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3men s ASP 286 N -2.65 6.40 0.51 -2.24 2.15 -0.55 -4.87 116.67 115.42 3men s ASP 286 Ca 0.23 2.93 0.28 0.00 0.43 0.00 0.00 52.55 56.41 3men s ASP 286 Cb 0.19 -2.64 1.36 0.00 -0.30 0.00 0.00 42.92 41.54 3men s ASP 286 CO 0.53 -0.89 2.02 1.55 -0.17 0.00 0.00 175.17 178.21 3men h PRO 287 N 4.75 0.00 -0.57 4.34 0.13 -1.89 -1.06 132.00 137.69 3men h PRO 287 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3men h PRO 287 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3men h PRO 287 CO 0.78 0.13 0.00 1.04 -0.23 0.00 0.00 178.00 179.73 3men n GLN 288 N -3.53 2.61 -3.04 0.86 6.02 -1.26 -4.97 117.38 114.06 3men n GLN 288 Ca -0.01 -1.79 -0.39 0.00 -0.01 0.00 0.00 57.00 54.79 3men n GLN 288 Cb 0.28 -1.60 -0.06 0.00 1.02 0.00 0.00 30.24 29.88 3men n GLN 288 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3men s SER 289 N -0.80 7.32 -0.04 1.08 0.15 -0.40 -4.95 113.70 116.05 3men s SER 289 Ca 0.32 1.57 0.06 0.00 0.70 0.00 0.00 55.95 58.60 3men s SER 289 Cb 0.20 -2.47 0.10 0.00 -1.71 0.00 0.00 66.02 62.14 3men s SER 289 CO 0.17 0.22 0.97 0.00 1.20 0.00 0.00 173.24 175.80 3men n GLN 290 N 1.63 1.49 -3.93 5.44 1.13 -1.26 -4.96 117.38 116.90 3men n GLN 290 Ca -0.07 -1.63 -0.10 0.00 -1.94 0.00 0.00 57.00 53.26 3men n GLN 290 Cb 0.49 -1.01 -0.11 0.00 0.11 0.00 0.00 30.24 29.72 3men n GLN 290 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3men s VAL 291 N -1.33 0.10 -1.03 5.09 0.11 -1.26 -2.17 120.40 119.91 3men s VAL 291 Ca 0.11 -0.81 -0.01 0.00 -2.93 0.00 0.00 61.98 58.33 3men s VAL 291 Cb 0.09 -0.33 0.31 0.00 -1.53 0.00 0.00 36.38 34.93 3men s VAL 291 CO 0.01 -0.45 1.87 0.00 -3.33 0.00 0.00 175.10 173.21 3men n ALA 292 N 1.55 6.14 -2.19 1.54 0.00 -0.37 -3.83 120.51 123.36 3men n ALA 292 Ca -0.23 -4.55 -0.37 0.00 0.00 0.00 0.00 53.44 48.29 3men n ALA 292 Cb 0.55 -2.20 -0.06 0.00 0.00 0.00 0.00 19.45 17.74 3men n ALA 292 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3men s VAL 293 N -4.24 4.66 0.36 0.00 1.01 -1.14 -3.45 120.40 117.59 3men s VAL 293 Ca 0.41 1.22 0.08 0.00 0.00 0.00 0.00 61.98 63.69 3men s VAL 293 Cb 0.21 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 3men s VAL 293 CO -0.15 0.37 0.24 0.42 0.00 0.00 0.00 175.10 175.99 3men s THR 294 N -1.33 3.05 0.24 3.92 -4.23 -1.26 -1.26 115.64 114.77 3men s THR 294 Ca 0.36 -1.52 -0.06 0.00 -1.18 0.00 0.00 61.69 59.30 3men s THR 294 Cb -0.18 -3.05 0.23 0.00 1.34 0.00 0.00 72.50 70.84 3men s THR 294 CO 0.21 -0.13 1.89 0.74 -0.54 0.00 0.00 174.62 176.79 3men h THR 295 N 1.33 1.17 -0.46 3.99 2.02 -1.95 0.22 112.91 119.22 3men h THR 295 Ca -0.43 -0.40 -0.04 0.00 0.77 0.00 0.00 66.41 66.30 3men h THR 295 Cb 1.26 -0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 3men h THR 295 CO 0.61 0.21 0.10 0.44 0.37 0.00 0.00 175.52 177.25 3men h ASP 296 N 1.17 0.64 -0.70 4.18 3.32 -1.95 -2.89 116.42 120.19 3men h ASP 296 Ca 0.36 -0.11 0.15 0.00 0.02 0.00 0.00 57.03 57.45 3men h ASP 296 Cb -0.02 -0.17 -0.11 0.00 0.22 0.00 0.00 39.33 39.26 3men h ASP 296 CO -0.11 0.65 0.14 1.23 -1.72 0.00 0.00 179.24 179.43 3men h GLY 297 N 0.89 0.92 1.29 2.75 0.00 -0.97 0.23 103.07 108.19 3men h GLY 297 Ca 0.15 -0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.43 3men h GLY 297 CO -0.00 -0.19 0.21 0.74 0.00 0.00 0.00 176.54 177.30 3men h PHE 298 N 0.24 0.91 -0.31 5.60 0.04 -1.23 0.48 116.94 122.67 3men h PHE 298 Ca 0.39 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 61.09 3men h PHE 298 Cb 0.64 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 3men h PHE 298 CO -0.28 0.72 0.19 0.78 -0.60 0.00 0.00 178.31 179.12 3men h GLY 299 N 1.00 0.45 1.01 -1.45 0.00 -1.03 0.41 103.07 103.46 3men h GLY 299 Ca 0.20 -0.19 0.01 0.00 0.00 0.00 0.00 47.33 47.35 3men h GLY 299 CO -0.01 0.18 0.56 -0.09 0.00 0.00 0.00 176.54 177.18 3men h ARG 300 N 0.40 1.13 -0.12 4.80 2.43 0.88 0.81 114.38 124.72 3men h ARG 300 Ca 0.11 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3men h ARG 300 Cb 0.00 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.30 3men h ARG 300 CO -0.02 0.75 -0.01 1.25 -1.51 0.00 0.00 179.97 180.43 3men h LEU 301 N 1.16 0.23 -0.29 3.80 5.85 0.26 -2.55 115.31 123.76 3men h LEU 301 Ca 0.31 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.74 3men h LEU 301 Cb -0.12 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 3men h LEU 301 CO -0.07 0.50 0.04 1.23 -0.34 0.00 0.00 178.44 179.81 3men h GLY 302 N -0.06 0.32 0.26 3.75 0.00 0.08 -1.76 103.07 105.66 3men h GLY 302 Ca 0.03 -0.01 0.08 0.00 0.00 0.00 0.00 47.33 47.44 3men h GLY 302 CO 0.01 -0.03 -0.04 0.84 0.00 0.00 0.00 176.54 177.32 3men h HIS 303 N 0.14 -0.10 -0.49 5.60 -0.00 -0.70 0.30 115.15 119.90 3men h HIS 303 Ca 0.14 0.03 0.02 0.00 -0.00 0.00 0.00 60.37 60.56 3men h HIS 303 Cb 0.16 0.11 -0.03 0.00 -0.00 0.00 0.00 27.41 27.64 3men h HIS 303 CO -0.18 -0.13 0.29 -0.07 -0.00 0.00 0.00 177.93 177.84 3men h LEU 304 N 0.06 0.47 0.05 0.26 3.38 -1.05 0.44 115.31 118.92 3men h LEU 304 Ca 0.21 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.91 3men h LEU 304 Cb 0.31 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.98 3men h LEU 304 CO -0.38 0.33 -1.18 0.40 0.09 0.00 0.00 178.44 177.70 3men h ILE 305 N 0.58 1.40 -0.99 1.22 1.08 -1.05 -3.03 117.51 116.71 3men h ILE 305 Ca 0.20 -2.69 0.02 0.00 -0.39 0.00 0.00 64.86 61.99 3men h ILE 305 Cb 0.02 2.73 -0.05 0.00 -3.07 0.00 0.00 36.82 36.45 3men h ILE 305 CO -0.09 0.80 0.66 1.23 -0.69 0.00 0.00 178.15 180.06 3men h GLY 306 N 1.03 1.41 2.00 5.37 0.00 -0.19 -2.81 103.07 109.88 3men h GLY 306 Ca -0.14 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 3men h GLY 306 CO 0.21 0.49 -0.07 0.00 0.00 0.00 0.00 176.54 177.17 3men h ALA 307 N 1.39 1.46 0.00 3.60 0.00 0.00 -1.82 119.26 123.90 3men h ALA 307 Ca 0.37 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 3men h ALA 307 Cb -0.12 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3men h ALA 307 CO -0.09 0.09 -0.00 -0.07 0.00 0.00 0.00 179.25 179.18 3men h LEU 308 N 0.00 0.00 -1.14 0.00 3.38 -1.51 -3.46 115.31 112.58 3men h LEU 308 Ca -0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 3men h LEU 308 Cb 0.18 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.07 3men h LEU 308 CO 0.01 0.00 -0.68 -2.11 0.09 0.00 0.00 178.44 175.75 3men n ARG 309 N -3.97 -7.25 -4.11 1.13 -4.01 -0.68 -5.01 116.66 92.76 3men n ARG 309 Ca -0.03 0.81 -0.30 0.00 -1.04 0.00 0.00 57.85 57.28 3men n ARG 309 Cb 0.08 -5.76 -0.08 0.00 -3.04 0.00 0.00 32.46 23.67 3men n ARG 309 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 3men s LEU 310 N -6.77 3.53 -0.20 2.89 1.43 -1.26 -5.06 118.68 113.24 3men s LEU 310 Ca 0.37 -0.15 -0.35 0.00 -1.03 0.00 0.00 54.13 52.97 3men s LEU 310 Cb -0.16 -2.25 -0.12 0.00 0.03 0.00 0.00 46.19 43.68 3men s LEU 310 CO 0.70 0.17 1.94 -2.65 0.23 0.00 0.00 176.35 176.75 3men n PRO 311 N 0.52 1.69 -3.93 1.29 -0.02 -1.26 -4.83 135.00 128.46 3men n PRO 311 Ca -0.10 0.59 -0.20 0.00 -2.02 0.00 0.00 63.50 61.76 3men n PRO 311 Cb 0.52 -2.52 -0.17 0.00 -0.02 0.00 0.00 33.50 31.31 3men n PRO 311 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3men s THR 312 N 4.96 0.36 -0.24 3.45 2.01 -0.79 -0.96 115.64 124.43 3men s THR 312 Ca 0.98 0.04 -0.07 0.00 0.31 0.00 0.00 61.69 62.96 3men s THR 312 Cb -0.79 -0.47 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 3men s THR 312 CO 0.53 0.22 0.05 -0.69 -0.69 0.00 0.00 174.62 174.04 3men s VAL 313 N 1.40 4.17 -0.28 3.82 1.01 -0.48 -2.45 120.40 127.60 3men s VAL 313 Ca -0.04 -0.22 -0.16 0.00 0.00 0.00 0.00 61.98 61.56 3men s VAL 313 Cb -0.13 -2.94 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 3men s VAL 313 CO -0.03 0.36 0.42 -0.63 0.00 0.00 0.00 175.10 175.23 3men s ILE 314 N 1.52 5.13 -0.21 2.22 1.09 -0.44 -0.47 121.20 130.05 3men s ILE 314 Ca 0.06 0.61 -0.06 0.00 -1.10 0.00 0.00 60.65 60.16 3men s ILE 314 Cb -0.15 -3.76 -0.03 0.00 -1.06 0.00 0.00 42.46 37.46 3men s ILE 314 CO 0.03 0.09 0.03 -0.69 -0.10 0.00 0.00 174.94 174.30 3men s VAL 315 N 2.16 4.24 0.15 2.92 1.01 0.57 -0.17 120.40 131.28 3men s VAL 315 Ca 0.17 -0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 3men s VAL 315 Cb -0.16 -2.93 -0.07 0.00 0.00 0.00 0.00 36.38 33.22 3men s VAL 315 CO 0.10 0.41 1.05 -1.58 0.00 0.00 0.00 175.10 175.09 3men s GLN 316 N 0.99 4.63 0.00 2.72 2.00 -0.97 -0.53 119.66 128.50 3men s GLN 316 Ca 0.03 1.62 0.00 0.00 -2.00 0.00 0.00 55.36 55.01 3men s GLN 316 Cb -0.14 -3.32 0.00 0.00 0.80 0.00 0.00 33.01 30.35 3men s GLN 316 CO 0.02 0.11 0.00 0.39 -0.50 0.00 0.00 175.29 175.32 3men n GLU 317 N 2.59 0.00 -0.74 1.67 -0.58 0.92 -4.44 120.64 120.07 3men n GLU 317 Ca 0.03 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.65 3men n GLU 317 Cb 0.47 0.00 0.08 0.00 -0.57 0.00 0.00 31.44 31.42 3men n GLU 317 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3men n GLY 318 N 5.00 -1.29 0.00 0.62 0.00 -1.26 -4.74 105.19 103.52 3men n GLY 318 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.34 3men n GLY 318 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3men n GLY 319 N 1.58 2.28 0.00 -0.02 0.00 -1.26 -1.58 105.19 106.19 3men n GLY 319 Ca 0.07 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3men n GLY 319 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3men n TYR 320 N 0.00 0.00 -2.53 1.61 4.01 -1.26 -4.90 117.16 114.09 3men n TYR 320 Ca 0.00 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.34 3men n TYR 320 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 3men n TYR 320 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3men s HIS 321 N -0.84 2.38 0.30 -0.72 2.46 -1.26 -4.89 115.29 112.71 3men s HIS 321 Ca 0.00 -0.41 -0.01 0.00 0.47 0.00 0.00 55.06 55.11 3men s HIS 321 Cb 0.00 -4.63 0.48 0.00 -0.13 0.00 0.00 32.58 28.29 3men s HIS 321 CO 0.00 -2.01 1.93 0.82 -2.47 0.00 0.00 174.74 173.02 3men h ILE 322 N 6.48 1.14 0.00 0.89 1.08 -1.98 -2.82 117.51 122.29 3men h ILE 322 Ca -0.03 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 64.07 3men h ILE 322 Cb 1.03 -0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.73 3men h ILE 322 CO 1.35 0.20 0.00 -0.33 -0.69 0.00 0.00 178.15 178.68 3men h GLU 323 N 1.09 0.00 -0.00 2.37 4.39 -2.01 -3.09 114.58 117.33 3men h GLU 323 Ca 0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.05 3men h GLU 323 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3men h GLU 323 CO -0.11 0.00 -0.03 -1.13 -1.16 0.00 0.00 179.01 176.58 3men n SER 324 N -2.42 1.20 -0.01 1.42 3.41 -1.07 -4.76 113.62 111.39 3men n SER 324 Ca 0.01 -1.10 -0.10 0.00 -0.26 0.00 0.00 58.87 57.42 3men n SER 324 Cb 0.20 0.16 -0.04 0.00 -0.26 0.00 0.00 64.21 64.27 3men n SER 324 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3men h LEU 325 N 0.77 -0.11 -0.04 1.04 3.38 -1.52 0.17 115.31 119.00 3men h LEU 325 Ca 0.00 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.04 3men h LEU 325 Cb 0.18 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 3men h LEU 325 CO 0.00 -0.04 -0.47 -0.33 0.09 0.00 0.00 178.44 177.69 3men h GLU 326 N 0.01 -0.57 -0.28 1.13 4.39 -1.81 0.51 114.58 117.95 3men h GLU 326 Ca 0.07 0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 3men h GLU 326 Cb 0.10 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 3men h GLU 326 CO -0.13 -0.38 0.11 0.00 -1.16 0.00 0.00 179.01 177.44 3men h ALA 327 N -0.16 0.36 -0.56 3.43 0.00 -1.82 0.18 119.26 120.70 3men h ALA 327 Ca 0.04 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3men h ALA 327 Cb 0.68 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3men h ALA 327 CO -0.36 -0.03 0.13 -0.91 0.00 0.00 0.00 179.25 178.07 3men h ASN 328 N 0.30 0.82 0.11 0.00 2.35 -0.52 -2.61 115.58 116.03 3men h ASN 328 Ca 0.09 -0.15 -0.14 0.00 -0.55 0.00 0.00 56.30 55.55 3men h ASN 328 Cb 0.19 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 3men h ASN 328 CO -0.01 0.81 -0.48 0.00 -1.65 0.00 0.00 177.43 176.10 3men h ALA 329 N 1.30 0.86 -0.24 -0.83 0.00 0.71 -2.53 119.26 118.52 3men h ALA 329 Ca 0.18 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 3men h ALA 329 Cb 0.32 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3men h ALA 329 CO 0.00 0.66 -0.27 0.07 0.00 0.00 0.00 179.25 179.71 3men h ARG 330 N 0.35 0.61 -0.56 0.00 -0.00 -0.52 -2.83 114.38 111.43 3men h ARG 330 Ca 0.02 -0.33 -0.02 0.00 -0.00 0.00 0.00 59.98 59.64 3men h ARG 330 Cb 0.97 0.02 -0.03 0.00 -0.00 0.00 0.00 29.97 30.93 3men h ARG 330 CO 0.08 0.93 0.25 1.03 -0.00 0.00 0.00 179.97 182.27 3men h SER 331 N 0.32 0.71 0.47 0.08 0.87 -1.42 -1.19 113.55 113.39 3men h SER 331 Ca 0.04 -0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.50 3men h SER 331 Cb 0.83 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 3men h SER 331 CO 0.07 0.62 -0.23 0.15 -0.53 0.00 0.00 176.83 176.91 3men h PHE 332 N 0.79 -0.58 0.00 2.24 3.57 -1.27 -2.69 116.94 118.99 3men h PHE 332 Ca 0.19 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 3men h PHE 332 Cb 0.12 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 3men h PHE 332 CO 0.01 -0.27 -0.19 0.74 -2.23 0.00 0.00 178.31 176.37 3men h PHE 333 N -0.87 0.00 0.75 0.41 0.04 -1.40 -1.69 116.94 114.18 3men h PHE 333 Ca -0.06 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.67 3men h PHE 333 Cb 0.58 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.74 3men h PHE 333 CO 0.00 0.19 -0.36 0.78 -0.60 0.00 0.00 178.31 178.32 3men h GLY 334 N 0.93 -1.05 -0.24 -1.45 0.00 -1.20 -2.97 103.07 97.09 3men h GLY 334 Ca -0.00 0.39 0.21 0.00 0.00 0.00 0.00 47.33 47.93 3men h GLY 334 CO 0.02 -0.38 0.32 -1.33 0.00 0.00 0.00 176.54 175.17 3men h GLY 335 N -1.12 1.41 1.00 4.60 0.00 -1.13 -3.47 103.07 104.37 3men h GLY 335 Ca -0.10 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3men h GLY 335 CO 0.17 -0.28 0.00 0.33 0.00 0.00 0.00 176.54 176.76