#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 1.36 0.23 -1.46 0.00 -1.26 -5.02 119.30 113.15 3men s MET 1 Ca 0.00 -0.29 -0.32 0.00 0.00 0.00 0.00 55.69 55.09 3men s MET 1 Cb 0.00 -1.21 -0.12 0.00 0.00 0.00 0.00 34.83 33.50 3men s MET 1 CO 0.00 -0.03 1.66 1.28 0.00 0.00 0.00 175.02 177.92 3men n LEU 2 N 3.98 3.96 -4.11 4.11 4.77 -1.26 -3.90 117.00 124.55 3men n LEU 2 Ca -0.23 1.09 -0.28 0.00 -0.03 0.00 0.00 56.01 56.56 3men n LEU 2 Cb 0.51 -1.56 -0.17 0.00 -2.33 0.00 0.00 43.42 39.88 3men n LEU 2 CO 0.24 0.09 -0.51 -0.89 -1.33 0.00 0.00 177.39 174.99 3men s THR 3 N 0.74 1.58 -0.14 -5.08 2.01 -0.62 -0.49 115.64 113.64 3men s THR 3 Ca 0.72 -0.73 -0.01 0.00 0.31 0.00 0.00 61.69 61.98 3men s THR 3 Cb -0.53 -1.41 -0.02 0.00 0.01 0.00 0.00 72.50 70.56 3men s THR 3 CO 0.38 0.45 -0.10 -0.31 -0.69 0.00 0.00 174.62 174.36 3men s TYR 4 N 0.61 2.88 -0.19 4.92 2.02 -0.38 0.18 117.35 127.40 3men s TYR 4 Ca -0.14 -0.56 -0.14 0.00 -0.37 0.00 0.00 57.07 55.85 3men s TYR 4 Cb -0.16 -1.89 0.06 0.00 -0.40 0.00 0.00 41.96 39.56 3men s TYR 4 CO 0.04 -0.18 0.48 0.12 -1.57 0.00 0.00 175.55 174.44 3men s PHE 5 N 0.43 -0.62 -0.10 2.71 5.36 -0.02 -0.97 117.98 124.76 3men s PHE 5 Ca -0.08 1.39 0.02 0.00 -0.96 0.00 0.00 56.93 57.29 3men s PHE 5 Cb -0.15 0.27 -0.02 0.00 -0.34 0.00 0.00 43.02 42.78 3men s PHE 5 CO 0.04 -0.32 -0.15 -1.58 -1.46 0.00 0.00 175.22 171.76 3men s HIS 6 N 0.86 2.74 0.24 10.12 5.65 -1.26 -3.63 115.29 130.02 3men s HIS 6 Ca -0.05 -0.51 0.36 0.00 0.25 0.00 0.00 55.06 55.12 3men s HIS 6 Cb -0.06 -1.75 1.67 0.00 -1.18 0.00 0.00 32.58 31.26 3men s HIS 6 CO -0.07 -0.09 2.09 -1.00 -0.65 0.00 0.00 174.74 175.02 3men h PRO 7 N 6.22 0.00 0.00 2.88 0.13 -1.98 -1.38 132.00 137.87 3men h PRO 7 Ca -0.32 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3men h PRO 7 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 3men h PRO 7 CO 0.53 0.00 -0.01 -0.44 -0.23 0.00 0.00 178.00 177.85 3men h ASP 8 N 0.00 0.00 -0.15 1.44 5.19 -1.95 -1.47 116.42 119.48 3men h ASP 8 Ca 0.00 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.45 3men h ASP 8 Cb 0.35 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.85 3men h ASP 8 CO 0.00 0.01 0.13 1.56 -3.12 0.00 0.00 179.24 177.82 3men h GLN 9 N 0.00 0.00 0.00 3.56 4.20 -1.49 -2.12 115.11 119.27 3men h GLN 9 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3men h GLN 9 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 3men h GLN 9 CO 0.00 0.00 0.00 0.43 -0.67 0.00 0.00 178.83 178.59 3men n SER 10 N -4.09 0.00 0.24 1.46 7.64 -0.55 -3.89 113.62 114.43 3men n SER 10 Ca 0.01 0.43 0.13 0.00 1.01 0.00 0.00 58.87 60.45 3men n SER 10 Cb 0.26 -0.48 0.41 0.00 -1.01 0.00 0.00 64.21 63.39 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 -9.00 -3.43 3.38 -1.54 -3.44 115.31 101.28 3men h LEU 11 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 3men h LEU 11 Cb 0.44 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.13 3men h LEU 11 CO 0.00 0.07 0.77 -2.28 0.09 0.00 0.00 178.44 177.09 3men s HIS 12 N -3.44 3.24 -0.42 1.13 2.46 -1.25 -4.73 115.29 112.27 3men s HIS 12 Ca 0.03 1.27 0.08 0.00 0.47 0.00 0.00 55.06 56.91 3men s HIS 12 Cb 0.08 -3.46 0.27 0.00 -0.13 0.00 0.00 32.58 29.34 3men s HIS 12 CO 0.62 -0.62 0.73 -2.39 -2.47 0.00 0.00 174.74 170.61 3men n HIS 13 N 6.56 -1.39 -1.61 3.88 1.44 -1.26 -4.50 115.22 118.34 3men n HIS 13 Ca 0.11 -2.94 -0.33 0.00 -2.01 0.00 0.00 57.72 52.55 3men n HIS 13 Cb 0.47 0.40 0.07 0.00 0.12 0.00 0.00 29.99 31.04 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 -0.72 2.53 0.01 -1.40 0.05 -1.26 -4.94 135.00 129.28 3men s PRO 14 Ca 0.34 1.49 0.22 0.00 0.05 0.00 0.00 61.00 63.09 3men s PRO 14 Cb 0.23 -1.91 -0.13 0.00 0.05 0.00 0.00 34.50 32.75 3men s PRO 14 CO -0.14 -1.48 0.86 0.54 0.05 0.00 0.00 177.00 176.84 3men n ARG 15 N -2.61 0.28 -4.09 4.56 5.12 -1.26 -4.84 116.66 113.83 3men n ARG 15 Ca 0.11 -0.05 -0.32 0.00 -1.93 0.00 0.00 57.85 55.66 3men n ARG 15 Cb 0.52 -1.55 -0.16 0.00 -1.16 0.00 0.00 32.46 30.11 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 -3.21 2.01 -0.02 0.55 2.01 -1.26 -4.66 115.64 111.06 3men s THR 16 Ca 0.02 -1.09 0.01 0.00 0.31 0.00 0.00 61.69 60.94 3men s THR 16 Cb 0.15 -1.92 0.01 0.00 0.01 0.00 0.00 72.50 70.75 3men s THR 16 CO 0.85 0.36 -0.03 -0.31 -0.69 0.00 0.00 174.62 174.80 3men s TYR 17 N 1.27 0.38 -0.18 4.92 2.02 -1.26 -4.57 117.35 119.93 3men s TYR 17 Ca 0.01 -0.06 0.01 0.00 -0.37 0.00 0.00 57.07 56.66 3men s TYR 17 Cb -0.15 -0.34 0.02 0.00 -0.40 0.00 0.00 41.96 41.10 3men s TYR 17 CO -0.10 -0.07 -0.19 0.12 -1.57 0.00 0.00 175.55 173.74 3men s PHE 18 N 0.40 2.74 -0.08 2.71 5.36 -0.78 0.28 117.98 128.62 3men s PHE 18 Ca -0.04 -1.63 -0.28 0.00 -0.96 0.00 0.00 56.93 54.01 3men s PHE 18 Cb -0.07 -1.89 0.06 0.00 -0.34 0.00 0.00 43.02 40.78 3men s PHE 18 CO -0.01 -0.80 0.64 -1.54 -1.46 0.00 0.00 175.22 172.05 3men s SER 19 N 1.30 -0.62 -1.33 6.13 1.04 -0.36 -4.12 113.70 115.74 3men s SER 19 Ca 0.05 0.75 -0.07 0.00 0.48 0.00 0.00 55.95 57.15 3men s SER 19 Cb -0.13 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.63 3men s SER 19 CO -0.13 -0.54 0.51 0.54 0.98 0.00 0.00 173.24 174.61 3men n ARG 20 N 1.22 -2.57 -0.23 4.02 1.74 -1.26 -2.84 116.66 116.74 3men n ARG 20 Ca -0.19 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 3men n ARG 20 Cb 0.57 -4.29 0.00 0.00 -1.02 0.00 0.00 32.46 27.71 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 -1.93 1.08 3.40 -0.13 0.00 -1.26 -5.02 105.19 101.32 3men n GLY 21 Ca -0.25 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.53 1.23 0.31 1.61 1.70 -1.13 -5.14 118.95 117.00 3men s ARG 22 Ca 0.00 -0.52 -0.29 0.00 -0.47 0.00 0.00 55.73 54.45 3men s ARG 22 Cb 0.00 0.56 -0.10 0.00 -0.57 0.00 0.00 34.95 34.84 3men s ARG 22 CO 0.00 -0.52 1.38 -1.64 -1.08 0.00 0.00 175.30 173.43 3men s MET 23 N -3.74 4.29 0.25 3.89 -1.94 -1.26 -1.23 119.30 119.55 3men s MET 23 Ca 0.01 2.30 0.04 0.00 -1.71 0.00 0.00 55.69 56.33 3men s MET 23 Cb -0.00 -3.07 -0.05 0.00 2.01 0.00 0.00 34.83 33.72 3men s MET 23 CO -0.13 -0.32 0.01 1.03 -0.01 0.00 0.00 175.02 175.60 3men s ARG 24 N -1.37 1.40 0.11 2.03 0.52 0.14 -4.92 118.95 116.86 3men s ARG 24 Ca 0.53 -1.72 -0.30 0.00 -0.52 0.00 0.00 55.73 53.72 3men s ARG 24 Cb -0.41 -0.65 -0.06 0.00 0.52 0.00 0.00 34.95 34.34 3men s ARG 24 CO 0.51 -0.12 1.15 -1.64 0.02 0.00 0.00 175.30 175.22 3men s MET 25 N -3.87 4.51 0.04 3.54 -1.94 -1.26 -4.07 119.30 116.24 3men s MET 25 Ca 0.30 1.74 -0.36 0.00 -1.71 0.00 0.00 55.69 55.66 3men s MET 25 Cb 0.06 -3.32 -0.16 0.00 2.01 0.00 0.00 34.83 33.43 3men s MET 25 CO 0.10 -0.10 1.47 -2.30 -0.01 0.00 0.00 175.02 174.18 3men n PRO 26 N 3.18 1.41 -0.06 2.03 -0.02 -1.26 -4.93 135.00 135.35 3men n PRO 26 Ca 0.06 0.51 -0.06 0.00 -2.02 0.00 0.00 63.50 61.99 3men n PRO 26 Cb 0.46 -2.19 -0.09 0.00 -0.02 0.00 0.00 33.50 31.66 3men n PRO 26 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3men n GLN 27 N 3.31 1.99 -2.68 -0.52 6.02 -1.26 -4.83 117.38 119.42 3men n GLN 27 Ca 0.19 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.75 3men n GLN 27 Cb 0.21 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 30.17 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 -2.46 3.29 -4.15 -1.09 0.00 -1.26 -4.89 120.64 110.08 3men n GLU 28 Ca -0.19 -3.53 -0.22 0.00 0.00 0.00 0.00 57.16 53.22 3men n GLU 28 Cb 0.87 -3.22 -0.05 0.00 0.00 0.00 0.00 31.44 29.04 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 2.56 4.24 0.43 6.31 -7.23 -1.26 -4.92 120.40 120.53 3men s VAL 29 Ca 0.47 -1.50 0.17 0.00 -1.81 0.00 0.00 61.98 59.32 3men s VAL 29 Cb 0.02 -3.28 0.37 0.00 0.56 0.00 0.00 36.38 34.05 3men s VAL 29 CO 0.03 -0.34 1.90 -0.65 -0.31 0.00 0.00 175.10 175.72 3men h PRO 30 N 1.62 0.38 -0.36 4.82 0.11 -1.86 -2.18 132.00 134.54 3men h PRO 30 Ca -0.48 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.72 3men h PRO 30 Cb 1.24 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3men h PRO 30 CO 0.61 0.25 0.29 1.49 -0.21 0.00 0.00 178.00 180.43 3men h GLU 31 N 0.39 0.00 -0.77 1.05 4.57 -1.95 -1.45 114.58 116.42 3men h GLU 31 Ca 0.41 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.67 3men h GLU 31 Cb 0.99 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.52 3men h GLU 31 CO -0.13 0.00 0.43 0.00 -1.18 0.00 0.00 179.01 178.13 3men h ARG 32 N 0.00 0.73 -0.49 1.92 3.08 -1.77 -1.09 114.38 116.75 3men h ARG 32 Ca 0.17 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 60.06 3men h ARG 32 Cb 0.75 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 3men h ARG 32 CO -0.00 0.48 -0.15 0.00 -1.07 0.00 0.00 179.97 179.23 3men h ALA 33 N 1.42 0.68 -0.27 0.04 0.00 -1.45 -2.29 119.26 117.38 3men h ALA 33 Ca 0.36 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3men h ALA 33 Cb 0.29 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3men h ALA 33 CO -0.23 0.62 -0.02 0.00 0.00 0.00 0.00 179.25 179.63 3men h ALA 34 N 0.89 1.47 0.06 0.00 0.00 -1.21 0.34 119.26 120.81 3men h ALA 34 Ca 0.12 -0.18 -0.25 0.00 0.00 0.00 0.00 54.91 54.60 3men h ALA 34 Cb 0.72 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.39 3men h ALA 34 CO 0.05 0.38 -1.08 0.00 0.00 0.00 0.00 179.25 178.60 3men h ARG 35 N 0.40 0.40 -0.05 0.00 2.47 -1.07 -2.60 114.38 113.93 3men h ARG 35 Ca 0.09 -0.51 -0.18 0.00 -1.26 0.00 0.00 59.98 58.11 3men h ARG 35 Cb 0.29 0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.77 3men h ARG 35 CO 0.01 1.18 -0.76 -0.07 0.56 0.00 0.00 179.97 180.89 3men h LEU 36 N 0.19 0.38 -0.30 3.04 3.38 -0.98 -1.33 115.31 119.68 3men h LEU 36 Ca -0.11 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 3men h LEU 36 Cb 1.75 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.38 3men h LEU 36 CO 0.19 1.00 0.08 0.58 0.09 0.00 0.00 178.44 180.39 3men h VAL 37 N 0.20 1.21 -0.23 1.22 2.07 -0.99 -0.45 116.25 119.28 3men h VAL 37 Ca -0.03 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 3men h VAL 37 Cb 1.34 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 3men h VAL 37 CO 0.12 0.23 0.02 0.00 0.02 0.00 0.00 177.57 177.96 3men h ALA 38 N 0.92 1.60 -0.49 1.67 0.00 -1.47 -1.34 119.26 120.15 3men h ALA 38 Ca 0.10 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3men h ALA 38 Cb 0.27 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3men h ALA 38 CO -0.00 0.30 0.04 0.00 0.00 0.00 0.00 179.25 179.59 3men h ALA 39 N 1.69 0.65 0.09 0.00 0.00 -0.98 -2.15 119.26 118.56 3men h ALA 39 Ca 0.08 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.74 3men h ALA 39 Cb 0.20 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3men h ALA 39 CO 0.00 0.42 -0.12 0.00 0.00 0.00 0.00 179.25 179.55 3men h ALA 40 N 0.94 -0.21 -0.91 0.00 0.00 -0.19 -2.47 119.26 116.42 3men h ALA 40 Ca 0.14 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.08 3men h ALA 40 Cb 0.45 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 3men h ALA 40 CO 0.02 -0.64 0.58 0.74 0.00 0.00 0.00 179.25 179.95 3men h PHE 41 N -0.25 1.09 0.00 0.00 0.04 -1.27 -1.87 116.94 114.68 3men h PHE 41 Ca 0.02 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.81 3men h PHE 41 Cb 0.26 -0.36 0.00 0.00 2.20 0.00 0.00 35.95 38.05 3men h PHE 41 CO -0.14 0.60 0.00 0.00 -0.60 0.00 0.00 178.31 178.17 3men n ALA 42 N -2.35 1.79 -0.34 2.45 0.00 -0.81 -0.58 120.51 120.66 3men n ALA 42 Ca 0.13 -0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.64 3men n ALA 42 Cb 0.13 -1.33 0.25 0.00 0.00 0.00 0.00 19.45 18.50 3men n ALA 42 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3men n MET 43 N -1.79 2.92 -1.24 0.00 2.81 -0.75 -4.97 117.12 114.10 3men n MET 43 Ca 0.04 -2.42 -0.06 0.00 -1.81 0.00 0.00 57.70 53.45 3men n MET 43 Cb 0.23 -1.48 -0.02 0.00 -0.71 0.00 0.00 33.22 31.24 3men n MET 43 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3men n GLY 44 N 0.95 0.76 3.73 3.03 0.00 0.25 -4.88 105.19 109.04 3men n GLY 44 Ca 0.19 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 45.00 3men n GLY 44 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3men s PHE 45 N -2.22 3.62 -0.08 1.61 0.40 -0.92 -4.76 117.98 115.63 3men s PHE 45 Ca 0.00 1.60 -0.30 0.00 -0.60 0.00 0.00 56.93 57.63 3men s PHE 45 Cb 0.00 -3.23 -0.03 0.00 0.51 0.00 0.00 43.02 40.27 3men s PHE 45 CO 0.00 -0.48 1.22 -1.25 0.70 0.00 0.00 175.22 175.41 3men s PRO 46 N 0.15 4.32 -0.26 0.24 0.05 -1.25 -4.43 135.00 133.82 3men s PRO 46 Ca 0.51 1.68 -0.10 0.00 0.05 0.00 0.00 61.00 63.14 3men s PRO 46 Cb -0.27 -3.61 -0.05 0.00 0.05 0.00 0.00 34.50 30.63 3men s PRO 46 CO 0.32 -0.51 0.16 0.08 0.05 0.00 0.00 177.00 177.10 3men s VAL 47 N 2.52 5.23 0.08 -0.36 1.01 -1.26 -1.58 120.40 126.03 3men s VAL 47 Ca 0.56 0.14 0.07 0.00 0.00 0.00 0.00 61.98 62.74 3men s VAL 47 Cb -0.24 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 3men s VAL 47 CO 0.20 0.30 -0.18 -0.13 0.00 0.00 0.00 175.10 175.30 3men s ARG 48 N 1.42 1.00 0.25 2.72 0.52 0.13 -4.98 118.95 120.01 3men s ARG 48 Ca 0.07 -1.03 -0.30 0.00 -0.52 0.00 0.00 55.73 53.95 3men s ARG 48 Cb -0.15 -1.14 -0.09 0.00 0.52 0.00 0.00 34.95 34.09 3men s ARG 48 CO 0.07 0.26 1.12 -1.21 0.02 0.00 0.00 175.30 175.57 3men s GLU 49 N -1.73 4.60 0.31 3.54 2.02 -1.24 -0.85 118.70 125.35 3men s GLU 49 Ca 0.03 1.82 -0.28 0.00 0.02 0.00 0.00 54.97 56.56 3men s GLU 49 Cb -0.10 -3.21 -0.09 0.00 0.10 0.00 0.00 34.13 30.83 3men s GLU 49 CO 0.03 0.13 1.01 -1.25 0.02 0.00 0.00 175.26 175.20 3men s PRO 50 N -1.09 4.58 0.93 0.39 0.04 -1.26 -4.90 135.00 133.68 3men s PRO 50 Ca 0.47 1.55 -0.11 0.00 0.04 0.00 0.00 61.00 62.95 3men s PRO 50 Cb -0.32 -2.98 0.15 0.00 0.04 0.00 0.00 34.50 31.39 3men s PRO 50 CO 0.40 0.23 1.10 -0.51 0.04 0.00 0.00 177.00 178.26 3men s ASP 51 N -1.28 2.97 -0.59 6.66 1.01 -1.26 -4.95 116.67 119.22 3men s ASP 51 Ca 0.48 1.81 -0.23 0.00 0.71 0.00 0.00 52.55 55.31 3men s ASP 51 Cb -0.25 -2.40 0.05 0.00 1.01 0.00 0.00 42.92 41.33 3men s ASP 51 CO 0.32 -3.01 0.95 -0.62 0.21 0.00 0.00 175.17 173.02 3men s ASP 52 N -2.97 6.27 0.00 0.27 -1.08 -1.26 -4.86 116.67 113.04 3men s ASP 52 Ca 0.65 -0.60 0.26 0.00 -0.52 0.00 0.00 52.55 52.34 3men s ASP 52 Cb -0.21 -2.43 1.29 0.00 -1.46 0.00 0.00 42.92 40.11 3men s ASP 52 CO 0.59 -1.31 1.86 0.49 0.52 0.00 0.00 175.17 177.31 3men n PHE 53 N 7.56 0.04 -0.89 -5.34 3.72 -1.26 -5.03 117.46 116.27 3men n PHE 53 Ca -0.01 -0.02 0.02 0.00 -0.05 0.00 0.00 57.45 57.39 3men n PHE 53 Cb 0.47 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.00 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 1.02 -2.19 0.11 1.37 0.00 -1.26 -4.60 105.19 99.64 3men n GLY 54 Ca 0.19 -1.48 -0.01 0.00 0.00 0.00 0.00 46.02 44.72 3men n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3men h ILE 55 N -0.11 1.01 -0.74 -0.61 6.09 -2.01 -3.39 117.51 117.74 3men h ILE 55 Ca 0.00 -2.50 0.16 0.00 -1.37 0.00 0.00 64.86 61.16 3men h ILE 55 Cb 0.11 2.46 -0.13 0.00 0.47 0.00 0.00 36.82 39.72 3men h ILE 55 CO 0.00 0.57 -0.04 0.00 -3.07 0.00 0.00 178.15 175.61 3men h ALA 56 N 1.34 0.69 0.00 0.18 0.00 -1.97 0.02 119.26 119.53 3men h ALA 56 Ca -0.05 0.25 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3men h ALA 56 Cb 1.55 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.78 3men h ALA 56 CO 0.08 -0.42 -0.25 -1.35 0.00 0.00 0.00 179.25 177.30 3men h PRO 57 N 0.07 0.00 -0.06 0.00 0.11 -1.83 0.14 132.00 130.43 3men h PRO 57 Ca 0.39 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.42 3men h PRO 57 Cb 0.67 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.78 3men h PRO 57 CO -0.68 0.25 -0.30 0.82 -0.21 0.00 0.00 178.00 177.88 3men h ILE 58 N 0.00 1.44 0.00 4.15 2.04 -1.54 -3.18 117.51 120.42 3men h ILE 58 Ca -0.00 -1.73 0.00 0.00 1.00 0.00 0.00 64.86 64.13 3men h ILE 58 Cb 0.72 2.37 0.00 0.00 -0.74 0.00 0.00 36.82 39.17 3men h ILE 58 CO 0.03 0.49 0.00 0.00 0.00 0.00 0.00 178.15 178.67 3men n ALA 59 N -2.50 2.04 0.30 1.87 0.00 -0.10 -0.82 120.51 121.28 3men n ALA 59 Ca -0.08 -0.08 0.18 0.00 0.00 0.00 0.00 53.44 53.45 3men n ALA 59 Cb 0.49 -1.35 0.89 0.00 0.00 0.00 0.00 19.45 19.48 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 2.84 1.06 0.00 0.00 0.00 -0.70 -3.35 119.26 119.11 3men h ALA 60 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3men h ALA 60 Cb 0.32 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3men h ALA 60 CO 0.00 0.04 -1.01 0.28 0.00 0.00 0.00 179.25 178.55 3men n VAL 61 N -3.22 0.01 -3.98 0.00 0.31 -0.54 -5.07 118.33 105.85 3men n VAL 61 Ca -0.01 -0.01 -0.33 0.00 -0.01 0.00 0.00 64.34 63.98 3men n VAL 61 Cb 0.20 -0.57 -0.06 0.00 -0.91 0.00 0.00 33.84 32.51 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 -2.00 3.44 0.31 3.52 4.02 -0.00 -4.77 115.29 119.80 3men s HIS 62 Ca -0.00 0.28 -0.29 0.00 1.02 0.00 0.00 55.06 56.07 3men s HIS 62 Cb 0.00 -1.78 -0.11 0.00 -1.02 0.00 0.00 32.58 29.67 3men s HIS 62 CO 0.01 0.61 1.43 0.34 1.02 0.00 0.00 174.74 178.14 3men s ASP 63 N -1.95 6.57 0.40 1.40 -1.08 -0.91 -4.47 116.67 116.63 3men s ASP 63 Ca 0.27 2.80 0.26 0.00 -0.52 0.00 0.00 52.55 55.36 3men s ASP 63 Cb -0.12 -2.64 0.69 0.00 -1.46 0.00 0.00 42.92 39.39 3men s ASP 63 CO 0.18 -0.72 1.73 0.71 0.52 0.00 0.00 175.17 177.59 3men h THR 64 N 3.24 0.00 -0.51 1.71 1.35 -1.91 -1.61 112.91 115.18 3men h THR 64 Ca -0.48 -0.74 -0.01 0.00 -0.55 0.00 0.00 66.41 64.63 3men h THR 64 Cb 1.23 1.72 -0.02 0.00 -1.73 0.00 0.00 68.15 69.34 3men h THR 64 CO 0.71 0.00 0.27 0.45 -0.25 0.00 0.00 175.52 176.70 3men h HIS 65 N 0.00 0.71 -0.25 4.73 3.86 -1.98 -1.15 115.15 121.07 3men h HIS 65 Ca 0.00 -0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.15 3men h HIS 65 Cb 0.80 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 3men h HIS 65 CO 0.00 0.54 -0.00 -0.92 0.86 0.00 0.00 177.93 178.41 3men h TYR 66 N 0.68 0.48 -0.50 2.45 3.20 -1.78 -1.59 116.97 119.92 3men h TYR 66 Ca 0.18 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3men h TYR 66 Cb 0.08 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 3men h TYR 66 CO -0.01 0.61 0.32 -0.07 -1.64 0.00 0.00 178.16 177.36 3men h LEU 67 N 0.22 0.59 -0.50 2.82 3.38 -1.18 -0.57 115.31 120.07 3men h LEU 67 Ca 0.07 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3men h LEU 67 Cb 0.42 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3men h LEU 67 CO 0.01 0.45 0.24 0.03 0.09 0.00 0.00 178.44 179.26 3men h ARG 68 N 0.68 0.72 -0.38 1.13 3.08 -1.21 -1.91 114.38 116.49 3men h ARG 68 Ca 0.18 -0.11 0.08 0.00 0.07 0.00 0.00 59.98 60.20 3men h ARG 68 Cb -0.04 -0.13 -0.07 0.00 0.08 0.00 0.00 29.97 29.81 3men h ARG 68 CO -0.04 0.61 -0.10 0.35 -1.07 0.00 0.00 179.97 179.72 3men h PHE 69 N 0.66 -0.22 -0.49 3.04 3.57 -1.03 -0.86 116.94 121.62 3men h PHE 69 Ca 0.17 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.75 3men h PHE 69 Cb 0.13 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.98 3men h PHE 69 CO -0.01 -0.17 0.24 1.25 -2.23 0.00 0.00 178.31 177.40 3men h LEU 70 N -0.01 0.35 -1.47 0.59 5.85 -0.80 0.69 115.31 120.51 3men h LEU 70 Ca 0.18 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 3men h LEU 70 Cb 0.29 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3men h LEU 70 CO -0.39 0.24 -0.26 -0.08 -0.34 0.00 0.00 178.44 177.60 3men h GLU 71 N 0.48 0.00 0.00 1.25 4.81 -0.91 -3.32 114.58 116.89 3men h GLU 71 Ca 0.21 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 3men h GLU 71 Cb 0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3men h GLU 71 CO -0.15 0.26 -0.58 0.25 -0.73 0.00 0.00 179.01 178.06 3men n THR 72 N -3.91 0.00 -0.18 0.32 -2.24 -0.37 -4.76 114.28 103.15 3men n THR 72 Ca -0.02 -0.28 -0.10 0.00 -2.27 0.00 0.00 64.05 61.38 3men n THR 72 Cb 0.34 0.87 0.01 0.00 -2.10 0.00 0.00 70.33 69.45 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 1.26 -0.50 2.28 3.04 -0.97 -1.64 116.25 119.72 3men h VAL 73 Ca 0.00 -1.07 0.03 0.00 -1.01 0.00 0.00 66.70 64.65 3men h VAL 73 Cb 0.23 0.96 -0.04 0.00 -2.01 0.00 0.00 31.29 30.44 3men h VAL 73 CO 0.00 0.38 0.29 -0.74 -1.01 0.00 0.00 177.57 176.48 3men h HIS 74 N 0.75 0.53 -0.70 3.17 6.17 -1.83 0.80 115.15 124.04 3men h HIS 74 Ca 0.14 0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.21 3men h HIS 74 Cb 0.51 -0.17 -0.03 0.00 2.52 0.00 0.00 27.41 30.24 3men h HIS 74 CO 0.04 0.29 0.32 -0.09 0.71 0.00 0.00 177.93 179.20 3men h ARG 75 N 0.57 1.02 0.00 5.26 2.43 -1.83 -0.68 114.38 121.14 3men h ARG 75 Ca 0.21 -0.16 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 3men h ARG 75 Cb 0.05 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 3men h ARG 75 CO -0.11 0.82 -0.27 0.93 -1.51 0.00 0.00 179.97 179.82 3men h GLU 76 N 0.98 0.00 0.18 0.20 4.39 -0.66 -2.95 114.58 116.73 3men h GLU 76 Ca 0.24 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.63 3men h GLU 76 Cb 0.15 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.81 3men h GLU 76 CO -0.03 0.27 -1.37 2.35 -1.16 0.00 0.00 179.01 179.07 3men h TRP 77 N 0.00 0.69 0.00 4.33 2.91 -0.54 -3.03 115.95 120.30 3men h TRP 77 Ca -0.00 -0.50 0.00 0.00 1.13 0.00 0.00 58.89 59.52 3men h TRP 77 Cb 0.73 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 29.35 3men h TRP 77 CO 0.00 1.41 0.00 0.87 -1.03 0.00 0.00 178.44 179.69 3men h LYS 78 N 0.10 0.00 0.00 2.65 1.79 -1.02 -2.08 116.57 118.02 3men h LYS 78 Ca -0.20 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.23 3men h LYS 78 Cb 2.06 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.70 3men h LYS 78 CO 0.23 0.00 -0.23 0.00 -1.08 0.00 0.00 179.45 178.37 3men h ALA 79 N 2.03 0.95 -2.45 3.86 0.00 -1.39 -3.46 119.26 118.80 3men h ALA 79 Ca 0.00 -0.21 -0.49 0.00 0.00 0.00 0.00 54.91 54.21 3men h ALA 79 Cb 0.16 -0.04 0.09 0.00 0.00 0.00 0.00 17.79 18.01 3men h ALA 79 CO 0.00 0.29 0.38 -1.64 0.00 0.00 0.00 179.25 178.28 3men s MET 80 N -3.47 2.53 0.55 0.00 1.00 -0.78 -5.00 119.30 114.13 3men s MET 80 Ca 0.02 0.53 -0.19 0.00 0.00 0.00 0.00 55.69 56.05 3men s MET 80 Cb 0.09 -1.98 -0.08 0.00 0.00 0.00 0.00 34.83 32.86 3men s MET 80 CO 0.65 -1.28 0.73 -2.30 0.00 0.00 0.00 175.02 172.82 3men n PRO 81 N -3.19 0.75 0.13 2.03 -0.02 -1.26 -4.82 135.00 128.62 3men n PRO 81 Ca 0.07 0.28 0.09 0.00 -2.02 0.00 0.00 63.50 61.93 3men n PRO 81 Cb 0.57 -1.87 0.48 0.00 -0.02 0.00 0.00 33.50 32.66 3men n PRO 81 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3men n GLU 82 N -0.26 0.12 0.24 -0.52 0.00 -1.26 -1.24 120.64 117.71 3men n GLU 82 Ca 0.12 0.60 0.12 0.00 0.00 0.00 0.00 57.16 58.01 3men n GLU 82 Cb 0.46 -1.87 0.57 0.00 0.00 0.00 0.00 31.44 30.60 3men n GLU 82 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.13 177.35 3men h ASP 83 N 0.00 0.00 1.56 -1.84 3.58 -2.00 -2.52 116.42 115.19 3men h ASP 83 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 3men h ASP 83 Cb 0.02 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.07 3men h ASP 83 CO 0.00 0.15 -0.03 -0.50 -2.88 0.00 0.00 179.24 175.97 3men h TRP 84 N 0.00 0.00 0.00 0.28 4.06 -1.50 -3.50 115.95 115.29 3men h TRP 84 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3men h TRP 84 Cb 0.61 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.77 3men h TRP 84 CO 0.00 0.03 0.00 0.41 -3.56 0.00 0.00 178.44 175.32 3men n GLY 85 N 0.66 -2.79 0.01 1.49 0.00 -0.95 -4.67 105.19 98.93 3men n GLY 85 Ca 0.02 -1.72 0.11 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.40 0.70 -4.20 1.61 2.03 -1.26 -4.77 116.55 110.27 3men n ASP 86 Ca 0.00 -0.52 -0.32 0.00 0.52 0.00 0.00 54.79 54.47 3men n ASP 86 Cb 0.00 0.62 -0.17 0.00 -0.72 0.00 0.00 41.12 40.85 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 -3.03 3.00 0.11 -0.67 2.02 -1.26 -4.68 118.70 114.19 3men s GLU 87 Ca 0.09 -0.86 -0.31 0.00 0.02 0.00 0.00 54.97 53.91 3men s GLU 87 Cb 0.16 -2.33 -0.07 0.00 0.10 0.00 0.00 34.13 31.99 3men s GLU 87 CO 0.78 0.10 1.30 0.00 0.02 0.00 0.00 175.26 177.46 3men s ALA 88 N 0.54 3.51 -0.01 5.21 0.00 -0.67 -4.78 121.76 125.55 3men s ALA 88 Ca -0.14 1.01 -0.18 0.00 0.00 0.00 0.00 51.96 52.65 3men s ALA 88 Cb -0.17 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.49 3men s ALA 88 CO 0.05 -0.53 0.38 -1.64 0.00 0.00 0.00 175.76 174.02 3men s MET 89 N 0.92 0.77 0.00 0.00 -1.94 -1.26 -1.03 119.30 116.76 3men s MET 89 Ca 0.61 -0.16 -0.19 0.00 -1.71 0.00 0.00 55.69 54.24 3men s MET 89 Cb -0.34 0.35 -0.06 0.00 2.01 0.00 0.00 34.83 36.79 3men s MET 89 CO 0.31 -0.23 0.55 0.45 -0.01 0.00 0.00 175.02 176.09 3men s SER 90 N -1.44 6.95 -0.05 3.03 0.15 -1.26 -4.96 113.70 116.12 3men s SER 90 Ca -0.12 1.13 0.08 0.00 0.70 0.00 0.00 55.95 57.74 3men s SER 90 Cb -0.04 -2.34 0.12 0.00 -1.71 0.00 0.00 66.02 62.06 3men s SER 90 CO 0.04 0.16 1.06 -0.46 1.20 0.00 0.00 173.24 175.24 3men n ASN 91 N 2.47 2.16 -3.85 5.45 6.94 -1.26 -4.92 115.26 122.24 3men n ASN 91 Ca -0.09 -2.45 -0.28 0.00 -0.02 0.00 0.00 54.58 51.74 3men n ASN 91 Cb 0.51 -0.18 -0.16 0.00 -2.36 0.00 0.00 39.78 37.59 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 -1.78 0.97 -0.80 1.53 1.09 -1.26 -5.05 121.20 115.89 3men s ILE 92 Ca 0.13 -0.59 -0.03 0.00 -1.10 0.00 0.00 60.65 59.07 3men s ILE 92 Cb 0.12 -1.21 0.25 0.00 -1.06 0.00 0.00 42.46 40.56 3men s ILE 92 CO 0.01 0.06 2.23 0.49 -0.10 0.00 0.00 174.94 177.64 3men n PHE 93 N 4.92 2.54 -3.76 3.97 3.72 -1.26 -4.35 117.46 123.24 3men n PHE 93 Ca -0.11 -2.28 -0.26 0.00 -0.05 0.00 0.00 57.45 54.74 3men n PHE 93 Cb 0.48 -1.29 -0.17 0.00 -0.94 0.00 0.00 39.48 37.56 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 -3.93 0.53 -0.06 -4.37 1.01 -1.26 -4.97 120.40 107.36 3men s VAL 94 Ca 0.52 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 62.20 3men s VAL 94 Cb 0.37 -0.90 -0.24 0.00 0.00 0.00 0.00 36.38 35.61 3men s VAL 94 CO -0.30 -0.03 0.62 0.08 0.00 0.00 0.00 175.10 175.46 3men h ARG 95 N 8.26 0.10 -2.26 2.72 -0.00 -1.90 -3.33 114.38 117.97 3men h ARG 95 Ca -0.18 -0.18 -0.07 0.00 -0.00 0.00 0.00 59.98 59.55 3men h ARG 95 Cb 1.12 0.07 -0.22 0.00 -0.00 0.00 0.00 29.97 30.94 3men h ARG 95 CO 0.32 0.78 0.00 -1.83 -0.00 0.00 0.00 179.97 179.25 3men s GLU 96 N -2.59 0.71 0.55 0.08 -1.05 -1.26 -4.13 118.70 111.00 3men s GLU 96 Ca -0.10 0.85 -0.19 0.00 -0.15 0.00 0.00 54.97 55.38 3men s GLU 96 Cb 0.07 0.34 -0.06 0.00 -0.44 0.00 0.00 34.13 34.05 3men s GLU 96 CO 0.81 -0.09 1.14 -1.25 0.95 0.00 0.00 175.26 176.83 3men s PRO 97 N 0.34 3.31 -0.28 -4.83 0.05 -1.26 -5.17 135.00 127.17 3men s PRO 97 Ca -0.00 1.65 -0.03 0.00 0.05 0.00 0.00 61.00 62.68 3men s PRO 97 Cb -0.04 -2.01 0.16 0.00 0.05 0.00 0.00 34.50 32.66 3men s PRO 97 CO 0.01 -0.89 0.53 1.21 0.05 0.00 0.00 177.00 177.90 3men s ASN 98 N -1.72 -0.81 0.00 6.66 3.84 -1.26 -5.03 114.94 116.62 3men s ASN 98 Ca 0.73 0.74 0.21 0.00 0.21 0.00 0.00 52.86 54.75 3men s ASN 98 Cb -0.25 1.81 1.08 0.00 -0.55 0.00 0.00 41.25 43.34 3men s ASN 98 CO 0.28 -0.27 1.66 0.00 -2.79 0.00 0.00 177.10 175.98 3men n ALA 99 N 5.41 2.11 -3.54 1.71 0.00 -1.26 -4.89 120.51 120.06 3men n ALA 99 Ca -0.03 -0.10 -0.26 0.00 0.00 0.00 0.00 53.44 53.04 3men n ALA 99 Cb 0.50 -1.34 0.01 0.00 0.00 0.00 0.00 19.45 18.63 3men n ALA 99 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3men n LEU 100 N -1.25 -2.04 -4.41 0.00 4.77 -1.26 -4.96 117.00 107.85 3men n LEU 100 Ca 0.11 -0.53 -0.40 0.00 -0.03 0.00 0.00 56.01 55.15 3men n LEU 100 Cb 0.15 -2.38 -0.11 0.00 -2.33 0.00 0.00 43.42 38.74 3men n LEU 100 CO 0.15 0.27 -0.17 -0.13 -1.33 0.00 0.00 177.39 176.18 3men s ARG 101 N -6.22 3.07 0.00 3.23 0.52 -1.26 -4.80 118.95 113.50 3men s ARG 101 Ca 0.49 -0.91 0.00 0.00 -0.52 0.00 0.00 55.73 54.80 3men s ARG 101 Cb -0.25 -3.68 0.00 0.00 0.52 0.00 0.00 34.95 31.54 3men s ARG 101 CO 0.61 -0.57 0.00 0.41 0.02 0.00 0.00 175.30 175.77 3men n GLY 102 N 5.00 1.52 0.25 -3.53 0.00 -1.26 -4.47 105.19 102.69 3men n GLY 102 Ca -0.13 -1.72 0.06 0.00 0.00 0.00 0.00 46.02 44.24 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 1.07 -0.47 1.61 3.04 -1.93 -1.78 116.25 117.78 3men h VAL 103 Ca 0.00 -0.30 -0.02 0.00 -1.01 0.00 0.00 66.70 65.37 3men h VAL 103 Cb 0.00 1.12 -0.02 0.00 -2.01 0.00 0.00 31.29 30.38 3men h VAL 103 CO 0.00 0.09 0.22 0.25 -1.01 0.00 0.00 177.57 177.12 3men h LEU 104 N 0.04 0.62 -0.57 3.16 5.85 -1.98 0.56 115.31 122.98 3men h LEU 104 Ca 0.01 -0.14 -0.16 0.00 0.84 0.00 0.00 57.88 58.44 3men h LEU 104 Cb 0.15 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3men h LEU 104 CO 0.01 0.59 -0.57 0.00 -0.34 0.00 0.00 178.44 178.13 3men h ALA 105 N 1.06 0.75 -0.78 1.25 0.00 -1.68 -2.05 119.26 117.81 3men h ALA 105 Ca 0.16 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 3men h ALA 105 Cb 0.14 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3men h ALA 105 CO -0.02 0.70 0.32 1.96 0.00 0.00 0.00 179.25 182.21 3men h GLN 106 N 0.34 1.16 -0.71 0.00 1.08 -0.99 -2.45 115.11 113.54 3men h GLN 106 Ca 0.00 -0.21 -0.05 0.00 -1.45 0.00 0.00 58.65 56.95 3men h GLN 106 Cb 1.09 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 28.30 3men h GLN 106 CO 0.10 0.94 0.24 0.00 -0.95 0.00 0.00 178.83 179.16 3men h ALA 107 N 1.16 1.09 -0.81 3.87 0.00 -0.76 -1.36 119.26 122.45 3men h ALA 107 Ca 0.26 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3men h ALA 107 Cb 0.21 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 3men h ALA 107 CO -0.02 0.63 0.53 0.00 0.00 0.00 0.00 179.25 180.39 3men h ALA 108 N 1.22 1.57 0.05 0.00 0.00 -0.92 -1.15 119.26 120.02 3men h ALA 108 Ca 0.23 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.93 3men h ALA 108 Cb 0.26 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 17.82 3men h ALA 108 CO -0.01 0.32 -0.74 -0.09 0.00 0.00 0.00 179.25 178.73 3men h ARG 109 N 0.93 0.42 -0.01 0.00 9.65 -1.16 -3.36 114.38 120.83 3men h ARG 109 Ca 0.34 -0.51 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 3men h ARG 109 Cb 0.15 0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.89 3men h ARG 109 CO -0.11 1.18 -0.32 0.72 2.80 0.00 0.00 179.97 184.24 3men n HIS 110 N -4.14 0.00 -4.00 2.20 8.25 -0.54 -4.78 115.22 112.22 3men n HIS 110 Ca -0.12 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.02 3men n HIS 110 Cb 0.75 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.72 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 -1.98 3.99 0.00 2.41 1.43 -0.46 -1.23 118.68 122.85 3men s LEU 111 Ca 0.13 -1.59 0.28 0.00 -1.03 0.00 0.00 54.13 51.91 3men s LEU 111 Cb 0.12 -1.63 1.04 0.00 0.03 0.00 0.00 46.19 45.76 3men s LEU 111 CO 0.39 -0.28 1.74 0.00 0.23 0.00 0.00 176.35 178.43 3men n ALA 112 N 4.45 2.74 -3.83 4.21 0.00 -0.55 -4.73 120.51 122.79 3men n ALA 112 Ca -0.09 -0.40 -0.04 0.00 0.00 0.00 0.00 53.44 52.91 3men n ALA 112 Cb 0.42 -1.19 0.01 0.00 0.00 0.00 0.00 19.45 18.69 3men n ALA 112 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3men s ASP 113 N -2.19 -0.05 -0.00 0.00 1.47 -1.26 -5.01 116.67 109.63 3men s ASP 113 Ca 0.34 -0.68 0.01 0.00 1.18 0.00 0.00 52.55 53.40 3men s ASP 113 Cb 0.20 0.56 0.04 0.00 -0.34 0.00 0.00 42.92 43.39 3men s ASP 113 CO 0.40 -1.10 1.00 0.61 0.68 0.00 0.00 175.17 176.76 3men n GLY 114 N -0.60 -0.56 1.05 2.12 0.00 -1.26 -3.77 105.19 102.16 3men n GLY 114 Ca -0.05 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 3.70 -2.88 1.61 7.64 -1.26 -1.86 113.62 120.26 3men n SER 115 Ca 0.02 -3.19 -0.18 0.00 1.01 0.00 0.00 58.87 56.53 3men n SER 115 Cb 0.06 -0.58 -0.01 0.00 -1.01 0.00 0.00 64.21 62.67 3men n SER 115 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3men s PRO 117 N -2.99 4.17 -0.35 0.00 0.04 -1.26 -4.89 135.00 129.72 3men s PRO 117 Ca 0.39 2.16 -0.06 0.00 0.04 0.00 0.00 61.00 63.53 3men s PRO 117 Cb 0.38 -2.91 0.05 0.00 0.04 0.00 0.00 34.50 32.06 3men s PRO 117 CO -0.07 -0.32 0.13 0.08 0.04 0.00 0.00 177.00 176.86 3men s VAL 118 N -1.21 3.76 0.00 -0.36 1.01 -0.20 -4.92 120.40 118.48 3men s VAL 118 Ca 0.53 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 61.25 3men s VAL 118 Cb -0.38 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 32.80 3men s VAL 118 CO 0.50 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.95 3men n GLY 119 N 4.80 2.24 0.33 4.51 0.00 -1.26 -1.67 105.19 114.14 3men n GLY 119 Ca -0.11 -2.11 -0.02 0.00 0.00 0.00 0.00 46.02 43.78 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 0.95 -0.25 1.61 4.81 -1.96 -2.82 114.58 116.92 3men h GLU 120 Ca 0.00 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3men h GLU 120 Cb 0.00 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.20 3men h GLU 120 CO 0.00 0.73 0.00 0.72 -0.73 0.00 0.00 179.01 179.73 3men n HIS 121 N -4.34 0.76 -0.14 0.92 8.25 -1.26 -4.71 115.22 114.70 3men n HIS 121 Ca 0.06 -0.80 -0.10 0.00 -0.26 0.00 0.00 57.72 56.62 3men n HIS 121 Cb 0.13 -0.24 -0.01 0.00 1.12 0.00 0.00 29.99 30.98 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 1.68 1.25 0.12 1.59 2.02 -1.84 -2.10 112.91 115.63 3men h THR 122 Ca 0.00 -0.91 -0.01 0.00 0.77 0.00 0.00 66.41 66.26 3men h THR 122 Cb 1.25 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 3men h THR 122 CO 0.16 0.31 -0.06 -0.25 0.37 0.00 0.00 175.52 176.05 3men h TRP 123 N 0.52 -0.15 -0.18 3.16 2.91 -1.82 0.14 115.95 120.52 3men h TRP 123 Ca 0.12 -0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.19 3men h TRP 123 Cb 0.40 0.05 -0.06 0.00 -0.51 0.00 0.00 29.16 29.05 3men h TRP 123 CO 0.03 -0.04 -0.19 -0.09 -1.03 0.00 0.00 178.44 177.12 3men h ARG 124 N -0.24 -0.21 -0.73 2.65 2.43 -1.88 0.35 114.38 116.75 3men h ARG 124 Ca -0.02 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 3men h ARG 124 Cb 0.19 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 3men h ARG 124 CO 0.03 -0.14 0.36 0.00 -1.51 0.00 0.00 179.97 178.70 3men h ALA 125 N 0.84 0.94 -0.42 2.80 0.00 -1.22 -1.59 119.26 120.61 3men h ALA 125 Ca 0.12 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 3men h ALA 125 Cb 0.39 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3men h ALA 125 CO -0.31 0.50 -0.24 0.00 0.00 0.00 0.00 179.25 179.20 3men h ALA 126 N 1.18 0.79 0.00 0.00 0.00 -0.24 0.28 119.26 121.26 3men h ALA 126 Ca 0.25 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3men h ALA 126 Cb 0.11 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3men h ALA 126 CO -0.03 0.65 -0.14 -0.92 0.00 0.00 0.00 179.25 178.81 3men h TYR 127 N 0.74 -0.36 0.00 0.00 3.20 0.14 -1.63 116.97 119.06 3men h TYR 127 Ca 0.10 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.85 3men h TYR 127 Cb 0.78 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.20 3men h TYR 127 CO 0.05 -0.21 -0.59 -1.49 -1.64 0.00 0.00 178.16 174.27 3men h TRP 128 N -0.24 0.00 -0.81 -3.82 4.06 -1.11 -1.56 115.95 112.48 3men h TRP 128 Ca 0.05 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.97 3men h TRP 128 Cb 0.30 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.42 3men h TRP 128 CO -0.20 0.59 0.38 1.03 -3.56 0.00 0.00 178.44 176.69 3men h SER 129 N 0.00 1.06 -0.51 -3.49 0.87 -0.73 -1.29 113.55 109.46 3men h SER 129 Ca -0.01 -0.13 -0.06 0.00 -1.23 0.00 0.00 61.79 60.36 3men h SER 129 Cb 1.22 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.89 3men h SER 129 CO 0.08 0.90 0.07 0.00 -0.53 0.00 0.00 176.83 177.34 3men h ALA 130 N 1.26 0.68 -0.67 6.23 0.00 -0.75 -2.71 119.26 123.31 3men h ALA 130 Ca 0.28 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3men h ALA 130 Cb 0.13 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3men h ALA 130 CO -0.03 0.43 0.44 1.96 0.00 0.00 0.00 179.25 182.05 3men h GLN 131 N 0.74 0.66 -0.68 0.00 1.08 -0.78 -0.52 115.11 115.60 3men h GLN 131 Ca 0.15 -0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.27 3men h GLN 131 Cb 0.42 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.68 3men h GLN 131 CO 0.01 0.44 0.25 0.77 -0.95 0.00 0.00 178.83 179.35 3men h SER 132 N 0.68 0.96 -0.85 1.46 0.02 -0.94 0.11 113.55 114.98 3men h SER 132 Ca 0.29 -0.18 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 3men h SER 132 Cb 0.27 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.51 3men h SER 132 CO -0.09 0.88 0.55 0.00 -1.14 0.00 0.00 176.83 177.03 3men h ALA 133 N 1.11 1.11 -0.17 3.77 0.00 -1.02 -1.93 119.26 122.14 3men h ALA 133 Ca 0.23 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 3men h ALA 133 Cb 0.24 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3men h ALA 133 CO -0.01 0.41 -0.53 -0.07 0.00 0.00 0.00 179.25 179.05 3men h LEU 134 N 1.09 0.53 -0.38 0.00 3.38 -0.70 -1.82 115.31 117.41 3men h LEU 134 Ca 0.33 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3men h LEU 134 Cb -0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3men h LEU 134 CO -0.10 0.96 0.01 0.00 0.09 0.00 0.00 178.44 179.39 3men h ALA 135 N 1.05 0.51 -0.67 1.53 0.00 -0.55 -0.25 119.26 120.88 3men h ALA 135 Ca 0.01 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 3men h ALA 135 Cb 1.05 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3men h ALA 135 CO 0.10 0.27 0.16 0.00 0.00 0.00 0.00 179.25 179.78 3men h ALA 136 N 0.88 1.02 -0.42 0.00 0.00 -1.33 -1.14 119.26 118.27 3men h ALA 136 Ca 0.11 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 3men h ALA 136 Cb 0.45 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3men h ALA 136 CO 0.02 0.64 -0.13 0.00 0.00 0.00 0.00 179.25 179.77 3men h ALA 137 N 1.16 0.59 -0.44 0.00 0.00 -1.21 -2.00 119.26 117.36 3men h ALA 137 Ca 0.21 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 54.84 3men h ALA 137 Cb 0.35 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 3men h ALA 137 CO 0.00 0.50 0.16 0.00 0.00 0.00 0.00 179.25 179.91 3men h ALA 138 N 0.85 0.53 -0.53 0.00 0.00 -0.88 0.44 119.26 119.67 3men h ALA 138 Ca 0.10 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3men h ALA 138 Cb 0.68 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3men h ALA 138 CO 0.05 -0.22 0.31 0.00 0.00 0.00 0.00 179.25 179.39 3men h ALA 139 N 1.28 0.68 -0.34 0.00 0.00 -1.07 -1.17 119.26 118.64 3men h ALA 139 Ca 0.20 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3men h ALA 139 Cb 0.19 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3men h ALA 139 CO -0.20 0.18 -0.10 0.28 0.00 0.00 0.00 179.25 179.40 3men h VAL 140 N 0.72 1.28 -0.84 0.00 2.07 -1.16 -1.03 116.25 117.28 3men h VAL 140 Ca 0.19 -1.18 0.13 0.00 0.82 0.00 0.00 66.70 66.67 3men h VAL 140 Cb 0.01 1.34 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 3men h VAL 140 CO -0.03 0.38 0.55 -0.09 0.02 0.00 0.00 177.57 178.39 3men h ARG 141 N 0.46 0.62 -0.01 1.57 2.43 0.17 -1.93 114.38 117.69 3men h ARG 141 Ca 0.08 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3men h ARG 141 Cb 0.61 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3men h ARG 141 CO 0.04 0.41 -0.21 -0.25 -1.51 0.00 0.00 179.97 178.45 3men n ASP 142 N -4.53 1.20 0.00 -3.80 8.00 -0.47 -4.90 116.55 112.05 3men n ASP 142 Ca 0.16 -1.06 0.00 0.00 0.71 0.00 0.00 54.79 54.60 3men n ASP 142 Cb 0.44 0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 3men n ASP 142 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3men n GLY 143 N 1.31 0.86 3.77 0.44 0.00 -0.73 -5.08 105.19 105.77 3men n GLY 143 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.07 3.26 -0.14 4.61 0.00 -0.42 -4.92 121.76 124.08 3men s ALA 144 Ca 0.00 1.34 0.18 0.00 0.00 0.00 0.00 51.96 53.48 3men s ALA 144 Cb 0.00 -3.53 0.28 0.00 0.00 0.00 0.00 23.12 19.87 3men s ALA 144 CO 0.00 -0.99 1.55 -1.00 0.00 0.00 0.00 175.76 175.32 3men h PRO 145 N 2.53 0.00 -2.96 0.00 0.13 -1.89 -3.39 132.00 126.43 3men h PRO 145 Ca -0.50 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 3men h PRO 145 Cb 1.25 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.25 3men h PRO 145 CO 0.62 0.37 0.10 0.00 -0.23 0.00 0.00 178.00 178.85 3men s ALA 146 N -3.14 -1.39 0.01 -0.56 0.00 -1.26 -1.93 121.76 113.49 3men s ALA 146 Ca 0.04 0.45 -0.24 0.00 0.00 0.00 0.00 51.96 52.21 3men s ALA 146 Cb 0.08 0.65 0.06 0.00 0.00 0.00 0.00 23.12 23.90 3men s ALA 146 CO 0.71 -0.64 0.55 0.00 0.00 0.00 0.00 175.76 176.38 3men s ALA 147 N -3.24 -1.42 -0.24 0.00 0.00 -0.85 -4.43 121.76 111.58 3men s ALA 147 Ca -0.01 0.80 -0.00 0.00 0.00 0.00 0.00 51.96 52.75 3men s ALA 147 Cb -0.00 0.24 0.03 0.00 0.00 0.00 0.00 23.12 23.39 3men s ALA 147 CO -0.08 -0.44 -0.09 -0.47 0.00 0.00 0.00 175.76 174.67 3men s TYR 148 N -1.94 3.06 -0.48 0.00 5.04 0.35 -0.40 117.35 122.99 3men s TYR 148 Ca -0.08 -1.74 -0.22 0.00 -2.44 0.00 0.00 57.07 52.58 3men s TYR 148 Cb -0.01 -2.01 0.03 0.00 0.35 0.00 0.00 41.96 40.33 3men s TYR 148 CO 0.03 -0.78 0.79 0.00 -1.34 0.00 0.00 175.55 174.24 3men s ALA 149 N 1.27 3.28 -1.36 3.97 0.00 0.64 -1.25 121.76 128.31 3men s ALA 149 Ca -0.01 -1.20 -0.13 0.00 0.00 0.00 0.00 51.96 50.62 3men s ALA 149 Cb -0.17 -3.50 0.09 0.00 0.00 0.00 0.00 23.12 19.54 3men s ALA 149 CO -0.06 -2.04 1.99 -0.11 0.00 0.00 0.00 175.76 175.54 3men n LEU 150 N 6.78 6.42 -4.77 0.00 0.00 -0.15 -2.44 117.00 122.85 3men n LEU 150 Ca 0.00 -4.30 -0.38 0.00 0.00 0.00 0.00 56.01 51.33 3men n LEU 150 Cb 0.48 -1.61 -0.04 0.00 0.00 0.00 0.00 43.42 42.25 3men n LEU 150 CO 0.59 1.04 0.78 0.00 0.00 0.00 0.00 177.39 179.80 3men s ARG 152 N -2.06 0.11 0.71 0.00 3.00 -1.26 -4.55 118.95 114.90 3men s ARG 152 Ca 0.53 0.25 -0.15 0.00 -1.00 0.00 0.00 55.73 55.36 3men s ARG 152 Cb -0.28 0.15 0.03 0.00 0.00 0.00 0.00 34.95 34.85 3men s ARG 152 CO 0.35 -0.06 1.16 -1.25 0.00 0.00 0.00 175.30 175.49 3men s PRO 153 N 2.42 2.37 1.27 5.12 0.04 -1.26 -4.58 135.00 140.38 3men s PRO 153 Ca -0.02 1.56 -0.21 0.00 0.04 0.00 0.00 61.00 62.38 3men s PRO 153 Cb -0.04 -1.88 0.31 0.00 0.04 0.00 0.00 34.50 32.93 3men s PRO 153 CO -0.14 -1.62 1.07 -1.25 0.04 0.00 0.00 177.00 175.10 3men s PRO 154 N -4.07 -1.75 0.00 0.56 0.04 -1.26 -4.92 135.00 123.60 3men s PRO 154 Ca 0.70 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.68 3men s PRO 154 Cb -0.24 -1.53 0.00 0.00 0.04 0.00 0.00 34.50 32.76 3men s PRO 154 CO 0.45 -4.06 0.00 0.41 0.04 0.00 0.00 177.00 173.84 3men n GLY 155 N -0.41 0.00 0.08 0.56 0.00 -1.26 -3.84 105.19 100.32 3men n GLY 155 Ca 0.14 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.86 0.45 0.89 1.61 1.44 -1.26 -1.18 115.22 116.31 3men n HIS 156 Ca 0.00 0.18 0.12 0.00 -2.01 0.00 0.00 57.72 56.01 3men n HIS 156 Cb 0.11 -0.79 0.22 0.00 0.12 0.00 0.00 29.99 29.65 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 -1.91 0.12 -2.16 -1.40 8.25 -1.26 -1.71 115.22 115.14 3men n HIS 157 Ca 0.02 0.03 -0.43 0.00 -0.26 0.00 0.00 57.72 57.09 3men n HIS 157 Cb 0.18 -0.34 -0.02 0.00 1.12 0.00 0.00 29.99 30.93 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 -3.04 3.36 0.82 -1.41 0.00 -0.33 -4.06 121.76 117.10 3men s ALA 158 Ca 0.10 0.48 -0.10 0.00 0.00 0.00 0.00 51.96 52.44 3men s ALA 158 Cb 0.17 -3.81 0.13 0.00 0.00 0.00 0.00 23.12 19.61 3men s ALA 158 CO 0.71 -1.80 1.15 1.03 0.00 0.00 0.00 175.76 176.85 3men s ARG 159 N 4.44 1.45 0.30 0.00 0.52 -0.09 -4.44 118.95 121.12 3men s ARG 159 Ca 0.68 -0.45 0.05 0.00 -0.52 0.00 0.00 55.73 55.49 3men s ARG 159 Cb -0.25 -2.05 0.73 0.00 0.52 0.00 0.00 34.95 33.91 3men s ARG 159 CO 0.27 -1.79 1.76 0.28 0.02 0.00 0.00 175.30 175.84 3men h VAL 160 N -1.05 0.65 0.00 3.52 2.07 -1.86 -3.20 116.25 116.39 3men h VAL 160 Ca -0.43 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3men h VAL 160 Cb 1.28 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3men h VAL 160 CO 0.48 0.12 0.00 -0.67 0.02 0.00 0.00 177.57 177.52 3men n ASP 161 N -4.83 1.69 -3.66 0.57 2.03 -1.26 -2.15 116.55 108.93 3men n ASP 161 Ca 0.23 -1.72 -0.14 0.00 0.52 0.00 0.00 54.79 53.68 3men n ASP 161 Cb 0.59 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.91 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 -0.72 -1.50 0.71 -1.67 0.00 -1.21 -4.45 121.76 112.93 3men s ALA 162 Ca 0.00 1.68 -0.11 0.00 0.00 0.00 0.00 51.96 53.53 3men s ALA 162 Cb 0.00 -0.95 0.02 0.00 0.00 0.00 0.00 23.12 22.19 3men s ALA 162 CO 0.00 -0.29 1.07 0.00 0.00 0.00 0.00 175.76 176.54 3men s ALA 163 N 0.25 2.61 0.00 0.00 0.00 -0.36 -0.92 121.76 123.34 3men s ALA 163 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.96 3men s ALA 163 Cb -0.04 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.92 3men s ALA 163 CO 0.01 -1.31 0.00 0.41 0.00 0.00 0.00 175.76 174.87 3men n GLY 164 N -2.06 0.82 3.74 0.00 0.00 -0.31 -1.48 105.19 105.91 3men n GLY 164 Ca 0.07 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.01 -0.31 2.82 -0.02 0.00 -1.25 -0.89 105.19 105.52 3men n GLY 165 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.33 0.00 -5.10 1.61 3.72 0.12 -4.86 117.46 108.63 3men n PHE 166 Ca -0.26 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 56.82 3men n PHE 166 Cb 0.66 -1.12 -0.15 0.00 -0.94 0.00 0.00 39.48 37.93 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 2.46 0.00 -5.04 0.00 4.01 -1.25 -1.16 117.16 116.18 3men n TYR 168 Ca -0.17 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.29 3men n TYR 168 Cb 0.52 -0.11 -0.16 0.00 -0.31 0.00 0.00 39.34 39.28 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 -5.55 2.00 -1.30 7.72 1.43 -1.26 -4.65 118.68 117.07 3men s LEU 169 Ca -0.04 -0.42 -0.18 0.00 -1.03 0.00 0.00 54.13 52.47 3men s LEU 169 Cb 0.01 -1.15 0.08 0.00 0.03 0.00 0.00 46.19 45.16 3men s LEU 169 CO 0.06 0.21 1.73 -3.20 0.23 0.00 0.00 176.35 175.38 3men n ASN 170 N 2.96 4.93 -0.17 2.29 2.85 -1.25 -4.14 115.26 122.73 3men n ASN 170 Ca -0.17 -2.92 -0.01 0.00 -0.11 0.00 0.00 54.58 51.36 3men n ASN 170 Cb 0.52 -1.74 0.07 0.00 1.24 0.00 0.00 39.78 39.88 3men n ASN 170 CO 0.00 0.00 0.00 0.78 -2.11 0.00 0.00 177.26 175.93 3men h ASN 171 N 7.49 -0.22 -0.38 1.20 2.35 -1.89 0.36 115.58 124.50 3men h ASN 171 Ca 0.44 0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 56.32 3men h ASN 171 Cb 0.86 0.22 -0.02 0.00 0.05 0.00 0.00 38.32 39.44 3men h ASN 171 CO 1.46 -0.08 0.21 0.00 -1.65 0.00 0.00 177.43 177.38 3men h ALA 172 N 1.47 0.48 -0.64 -0.83 0.00 -1.90 -0.52 119.26 117.32 3men h ALA 172 Ca 0.27 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3men h ALA 172 Cb 0.41 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3men h ALA 172 CO -0.44 -0.01 0.30 0.00 0.00 0.00 0.00 179.25 179.11 3men h ALA 173 N 1.08 0.83 -0.83 0.00 0.00 -1.63 0.26 119.26 118.97 3men h ALA 173 Ca 0.13 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3men h ALA 173 Cb 0.03 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 3men h ALA 173 CO -0.02 0.40 0.54 0.82 0.00 0.00 0.00 179.25 180.99 3men h ILE 174 N 0.89 1.17 -0.30 0.00 2.04 -0.43 -1.00 117.51 119.88 3men h ILE 174 Ca 0.22 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 3men h ILE 174 Cb 0.13 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 3men h ILE 174 CO -0.03 0.20 -0.03 0.00 0.00 0.00 0.00 178.15 178.29 3men h ALA 175 N 1.33 0.40 -0.19 1.87 0.00 -0.41 -2.59 119.26 119.66 3men h ALA 175 Ca 0.32 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3men h ALA 175 Cb -0.05 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 3men h ALA 175 CO -0.09 0.18 -0.13 0.00 0.00 0.00 0.00 179.25 179.20 3men h ALA 176 N 0.82 0.01 -0.73 0.00 0.00 -0.09 -1.39 119.26 117.88 3men h ALA 176 Ca 0.08 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.10 3men h ALA 176 Cb 0.48 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.52 3men h ALA 176 CO 0.02 -0.56 0.45 0.37 0.00 0.00 0.00 179.25 179.53 3men h GLN 177 N -0.13 0.85 -0.89 0.00 5.75 -1.23 -1.95 115.11 117.51 3men h GLN 177 Ca 0.11 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.56 3men h GLN 177 Cb 0.30 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 28.61 3men h GLN 177 CO -0.27 0.56 0.54 0.00 -2.65 0.00 0.00 178.83 177.01 3men h ALA 178 N 1.32 1.14 0.00 3.38 0.00 -1.27 -2.26 119.26 121.57 3men h ALA 178 Ca 0.30 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3men h ALA 178 Cb 0.05 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3men h ALA 178 CO -0.12 0.60 -0.23 -0.07 0.00 0.00 0.00 179.25 179.43 3men h LEU 179 N 1.23 0.00 -0.99 0.00 3.38 -0.52 -1.59 115.31 116.82 3men h LEU 179 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3men h LEU 179 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3men h LEU 179 CO -0.06 0.23 0.06 0.54 0.09 0.00 0.00 178.44 179.30 3men n ARG 180 N -4.09 0.10 -0.29 1.13 5.12 -0.85 -1.47 116.66 116.30 3men n ARG 180 Ca -0.02 0.58 -0.04 0.00 -1.93 0.00 0.00 57.85 56.44 3men n ARG 180 Cb 0.30 -1.88 0.07 0.00 -1.16 0.00 0.00 32.46 29.78 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 1.81 1.01 0.00 7.54 0.00 -1.40 -3.28 119.26 124.94 3men h ALA 181 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3men h ALA 181 Cb 0.13 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3men h ALA 181 CO 0.00 0.46 -1.59 2.89 0.00 0.00 0.00 179.25 181.01 3men n ARG 182 N -4.49 0.53 -5.03 0.00 -4.01 -0.72 -5.01 116.66 97.94 3men n ARG 182 Ca 0.08 -0.12 -0.32 0.00 -1.04 0.00 0.00 57.85 56.44 3men n ARG 182 Cb 0.05 -1.33 -0.15 0.00 -3.04 0.00 0.00 32.46 27.99 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 -2.94 2.64 0.19 2.89 3.76 -0.54 -5.01 115.29 116.27 3men s HIS 183 Ca -0.05 -0.70 0.03 0.00 -0.15 0.00 0.00 55.06 54.20 3men s HIS 183 Cb 0.09 -1.72 0.09 0.00 1.11 0.00 0.00 32.58 32.15 3men s HIS 183 CO 0.58 -0.21 1.44 0.00 -0.85 0.00 0.00 174.74 175.71 3men h ALA 184 N 6.35 0.64 -3.36 -1.40 0.00 -1.88 -3.39 119.26 116.22 3men h ALA 184 Ca -0.28 -0.66 -0.44 0.00 0.00 0.00 0.00 54.91 53.52 3men h ALA 184 Cb 1.20 -0.08 -0.35 0.00 0.00 0.00 0.00 17.79 18.56 3men h ALA 184 CO 0.51 0.86 -0.78 1.03 0.00 0.00 0.00 179.25 180.86 3men s ARG 185 N -3.39 0.92 0.02 0.00 0.52 -1.26 -4.86 118.95 110.90 3men s ARG 185 Ca -0.03 -0.09 0.08 0.00 -0.52 0.00 0.00 55.73 55.17 3men s ARG 185 Cb 0.11 -1.01 -0.02 0.00 0.52 0.00 0.00 34.95 34.54 3men s ARG 185 CO 0.82 -0.16 -0.25 0.08 0.02 0.00 0.00 175.30 175.81 3men s VAL 186 N 1.29 1.99 0.00 3.52 1.01 -0.84 -0.46 120.40 126.91 3men s VAL 186 Ca -0.05 -1.24 0.07 0.00 0.00 0.00 0.00 61.98 60.76 3men s VAL 186 Cb -0.14 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 3men s VAL 186 CO -0.02 0.40 -0.21 0.00 0.00 0.00 0.00 175.10 175.27 3men s ALA 187 N -0.72 2.42 -0.28 5.51 0.00 -0.64 -1.84 121.76 126.21 3men s ALA 187 Ca 0.10 -1.14 -0.03 0.00 0.00 0.00 0.00 51.96 50.89 3men s ALA 187 Cb -0.10 -0.68 0.03 0.00 0.00 0.00 0.00 23.12 22.37 3men s ALA 187 CO 0.01 0.55 -0.01 0.08 0.00 0.00 0.00 175.76 176.39 3men s VAL 188 N -0.77 3.18 -0.22 0.00 1.01 0.25 -0.52 120.40 123.32 3men s VAL 188 Ca 0.12 -1.05 -0.11 0.00 0.00 0.00 0.00 61.98 60.95 3men s VAL 188 Cb -0.10 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.55 3men s VAL 188 CO 0.02 0.08 0.16 -0.22 0.00 0.00 0.00 175.10 175.14 3men s LEU 189 N 1.35 4.15 -0.28 3.92 2.96 0.08 -1.79 118.68 129.07 3men s LEU 189 Ca -0.01 0.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.10 3men s LEU 189 Cb -0.18 -2.12 0.07 0.00 0.50 0.00 0.00 46.19 44.47 3men s LEU 189 CO -0.02 0.10 -0.06 -0.62 -1.32 0.00 0.00 176.35 174.43 3men s ASP 190 N 0.82 4.56 0.00 3.68 -1.08 -0.00 -0.79 116.67 123.86 3men s ASP 190 Ca 0.08 -1.59 0.18 0.00 -0.52 0.00 0.00 52.55 50.70 3men s ASP 190 Cb -0.13 -1.58 0.29 0.00 -1.46 0.00 0.00 42.92 40.04 3men s ASP 190 CO 0.03 -0.24 1.21 0.35 0.52 0.00 0.00 175.17 177.03 3men n THR 191 N 4.40 0.41 -1.45 1.71 -2.24 -0.47 -1.01 114.28 115.63 3men n THR 191 Ca -0.09 -0.71 -0.36 0.00 -2.27 0.00 0.00 64.05 60.62 3men n THR 191 Cb 0.42 1.01 0.08 0.00 -2.10 0.00 0.00 70.33 69.74 3men n THR 191 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3men n ASP 192 N 1.06 0.77 0.08 3.42 2.03 -1.22 -4.54 116.55 118.14 3men n ASP 192 Ca 0.14 0.71 0.15 0.00 0.52 0.00 0.00 54.79 56.31 3men n ASP 192 Cb 0.48 -1.43 0.65 0.00 -0.72 0.00 0.00 41.12 40.10 3men n ASP 192 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 3men h MET 193 N -0.03 0.05 -6.15 -0.67 1.85 -1.84 -3.39 114.93 104.75 3men h MET 193 Ca -0.48 -0.00 -0.66 0.00 -0.61 0.00 0.00 59.70 57.95 3men h MET 193 Cb 1.34 -0.01 -0.12 0.00 0.43 0.00 0.00 31.60 33.24 3men h MET 193 CO 0.48 0.04 -0.62 -1.01 -0.40 0.00 0.00 176.91 175.40 3men s HIS 194 N -5.08 3.14 0.13 1.39 3.76 -1.26 -0.98 115.29 116.38 3men s HIS 194 Ca -0.05 0.10 -0.31 0.00 -0.15 0.00 0.00 55.06 54.64 3men s HIS 194 Cb 0.19 -1.66 -0.10 0.00 1.11 0.00 0.00 32.58 32.12 3men s HIS 194 CO 0.71 0.50 1.64 -1.58 -0.85 0.00 0.00 174.74 175.16 3men s HIS 195 N -1.20 2.74 -1.29 1.40 5.65 -1.26 -4.88 115.29 116.43 3men s HIS 195 Ca 0.23 0.43 -0.15 0.00 0.25 0.00 0.00 55.06 55.83 3men s HIS 195 Cb -0.12 -3.99 -0.03 0.00 -1.18 0.00 0.00 32.58 27.27 3men s HIS 195 CO 0.15 -3.80 2.27 0.41 -0.65 0.00 0.00 174.74 173.11 3men n GLY 196 N 3.91 3.89 0.30 1.59 0.00 -1.26 -4.66 105.19 108.95 3men n GLY 196 Ca 0.15 -1.45 0.12 0.00 0.00 0.00 0.00 46.02 44.84 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 6.29 0.00 -0.37 1.61 -0.00 -1.89 -0.47 115.11 120.28 3men h GLN 197 Ca 0.58 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 59.21 3men h GLN 197 Cb 0.55 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.02 3men h GLN 197 CO 1.86 0.00 0.13 0.78 -0.00 0.00 0.00 178.83 181.60 3men h GLY 198 N 0.00 0.61 0.87 0.06 0.00 -1.47 -2.05 103.07 101.09 3men h GLY 198 Ca 0.07 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 3men h GLY 198 CO -0.00 0.33 0.06 -2.22 0.00 0.00 0.00 176.54 174.70 3men h ILE 199 N 0.45 1.21 -0.56 2.60 2.04 -1.00 -1.76 117.51 120.51 3men h ILE 199 Ca 0.12 -0.71 0.11 0.00 1.00 0.00 0.00 64.86 65.39 3men h ILE 199 Cb 0.22 1.21 -0.11 0.00 -0.74 0.00 0.00 36.82 37.41 3men h ILE 199 CO -0.01 0.23 -0.15 -0.61 0.00 0.00 0.00 178.15 177.61 3men h GLN 200 N 0.22 -0.02 -0.20 2.37 4.15 -1.34 -2.57 115.11 117.73 3men h GLN 200 Ca 0.08 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 3men h GLN 200 Cb 0.29 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 3men h GLN 200 CO 0.00 -0.01 0.09 1.49 -1.93 0.00 0.00 178.83 178.47 3men h GLU 201 N -0.02 0.28 -0.94 1.69 4.81 -1.08 -1.91 114.58 117.42 3men h GLU 201 Ca 0.27 -0.04 0.15 0.00 -0.13 0.00 0.00 59.36 59.60 3men h GLU 201 Cb 0.42 -0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.66 3men h GLU 201 CO -0.58 0.32 0.55 0.82 -0.73 0.00 0.00 179.01 179.39 3men h ILE 202 N 0.18 0.78 -0.28 2.32 2.04 -0.93 -3.09 117.51 118.53 3men h ILE 202 Ca 0.07 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3men h ILE 202 Cb 0.13 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.14 3men h ILE 202 CO -0.01 0.14 0.00 0.49 0.00 0.00 0.00 178.15 178.77 3men n PHE 203 N -4.76 0.43 -0.17 1.37 3.72 -1.08 -4.77 117.46 112.19 3men n PHE 203 Ca 0.20 -0.55 0.07 0.00 -0.05 0.00 0.00 57.45 57.12 3men n PHE 203 Cb 0.45 -0.06 0.37 0.00 -0.94 0.00 0.00 39.48 39.30 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 1.66 0.74 -0.59 1.38 3.20 -1.26 -0.03 116.97 122.06 3men h TYR 204 Ca 0.00 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 3men h TYR 204 Cb 0.77 -0.24 -0.06 0.00 1.54 0.00 0.00 36.73 38.74 3men h TYR 204 CO 0.22 0.38 0.11 0.00 -1.64 0.00 0.00 178.16 177.24 3men n ALA 205 N -2.45 4.08 -2.49 1.82 0.00 -1.26 -2.00 120.51 118.20 3men n ALA 205 Ca 0.11 -2.22 -0.32 0.00 0.00 0.00 0.00 53.44 51.01 3men n ALA 205 Cb 0.24 -1.10 -0.13 0.00 0.00 0.00 0.00 19.45 18.47 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 -2.90 2.43 0.00 0.00 0.52 -0.03 -3.73 118.95 115.25 3men s ARG 206 Ca 0.53 -0.75 0.15 0.00 -0.52 0.00 0.00 55.73 55.14 3men s ARG 206 Cb 0.42 -2.36 -0.00 0.00 0.52 0.00 0.00 34.95 33.53 3men s ARG 206 CO 0.13 0.61 0.82 2.89 0.02 0.00 0.00 175.30 179.77 3men n ARG 207 N 2.07 1.73 0.18 3.54 1.85 -1.26 -4.35 116.66 120.42 3men n ARG 207 Ca -0.17 -0.78 0.06 0.00 -1.00 0.00 0.00 57.85 55.96 3men n ARG 207 Cb 0.52 -1.25 0.18 0.00 -1.05 0.00 0.00 32.46 30.87 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 1.70 0.00 -3.67 2.89 2.03 -1.93 -3.41 116.42 114.03 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 0.52 0.00 -0.37 0.00 -0.83 0.00 0.00 39.33 38.65 3men h ASP 208 CO 0.00 0.33 -0.80 -0.69 -1.03 0.00 0.00 179.24 177.05 3men s VAL 209 N -3.21 1.92 0.36 4.15 1.01 -1.26 -1.99 120.40 121.38 3men s VAL 209 Ca 0.03 -1.37 -0.24 0.00 0.00 0.00 0.00 61.98 60.40 3men s VAL 209 Cb 0.08 -2.03 -0.10 0.00 0.00 0.00 0.00 36.38 34.33 3men s VAL 209 CO 0.70 0.03 0.96 -0.22 0.00 0.00 0.00 175.10 176.57 3men s LEU 210 N 1.24 4.21 -0.09 3.92 2.96 -0.77 -4.87 118.68 125.28 3men s LEU 210 Ca -0.06 1.83 0.02 0.00 -0.22 0.00 0.00 54.13 55.70 3men s LEU 210 Cb -0.19 -4.17 0.01 0.00 0.50 0.00 0.00 46.19 42.35 3men s LEU 210 CO -0.06 -0.20 -0.13 -0.47 -1.32 0.00 0.00 176.35 174.16 3men s TYR 211 N -1.77 1.72 -0.07 5.38 5.04 -0.96 -0.58 117.35 126.11 3men s TYR 211 Ca 0.54 -0.73 0.01 0.00 -2.44 0.00 0.00 57.07 54.45 3men s TYR 211 Cb -0.17 -1.26 0.02 0.00 0.35 0.00 0.00 41.96 40.91 3men s TYR 211 CO 0.22 -0.39 -0.08 0.08 -1.34 0.00 0.00 175.55 174.03 3men s VAL 212 N 0.89 0.91 -0.06 3.14 1.01 -0.74 -0.43 120.40 125.12 3men s VAL 212 Ca -0.10 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.59 3men s VAL 212 Cb -0.15 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.36 3men s VAL 212 CO 0.01 0.32 -0.10 -0.55 0.00 0.00 0.00 175.10 174.77 3men s SER 213 N 1.02 1.58 -0.15 3.32 0.15 -0.46 -0.82 113.70 118.33 3men s SER 213 Ca -0.09 -0.26 -0.07 0.00 0.70 0.00 0.00 55.95 56.24 3men s SER 213 Cb -0.15 -0.74 -0.04 0.00 -1.71 0.00 0.00 66.02 63.39 3men s SER 213 CO -0.00 0.01 0.08 -0.63 1.20 0.00 0.00 173.24 173.90 3men s ILE 214 N 0.73 5.00 0.08 6.45 1.01 -0.18 -0.41 121.20 133.89 3men s ILE 214 Ca -0.14 0.03 -0.27 0.00 0.00 0.00 0.00 60.65 60.27 3men s ILE 214 Cb -0.15 -3.21 0.08 0.00 0.01 0.00 0.00 42.46 39.19 3men s ILE 214 CO 0.03 0.52 1.03 -1.38 0.00 0.00 0.00 174.94 175.14 3men s HIS 215 N -0.21 -0.14 0.40 3.97 -3.43 -1.20 -4.29 115.29 110.39 3men s HIS 215 Ca 0.09 -0.09 -0.26 0.00 -0.80 0.00 0.00 55.06 54.00 3men s HIS 215 Cb -0.12 0.60 -0.09 0.00 -1.43 0.00 0.00 32.58 31.55 3men s HIS 215 CO 0.01 -0.65 1.19 0.20 -2.00 0.00 0.00 174.74 173.50 3men s GLY 216 N -2.86 2.89 -0.21 -1.38 0.00 -0.16 -0.58 107.32 105.02 3men s GLY 216 Ca 0.12 1.02 -0.40 0.00 0.00 0.00 0.00 44.72 45.45 3men s GLY 216 CO -0.01 1.55 1.64 1.34 0.00 0.00 0.00 173.10 177.62 3men n ASP 217 N 0.14 2.12 0.00 1.64 2.03 -0.10 -4.70 116.55 117.68 3men n ASP 217 Ca 0.04 1.09 0.12 0.00 0.52 0.00 0.00 54.79 56.56 3men n ASP 217 Cb 0.46 -1.13 0.64 0.00 -0.72 0.00 0.00 41.12 40.36 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 4.64 0.46 -1.59 -0.67 -0.02 -1.26 -4.48 135.00 132.07 3men n PRO 218 Ca 0.25 0.04 -0.42 0.00 -2.02 0.00 0.00 63.50 61.36 3men n PRO 218 Cb 0.13 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.08 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 -1.21 0.27 -3.49 3.45 -1.04 -1.26 -1.95 114.28 109.05 3men n THR 219 Ca 0.13 -0.52 -0.24 0.00 -2.04 0.00 0.00 64.05 61.38 3men n THR 219 Cb 0.16 -2.62 0.06 0.00 -1.82 0.00 0.00 70.33 66.12 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 12.44 -6.13 -3.65 8.00 3.02 -1.26 -4.99 115.26 122.68 3men n ASN 220 Ca 0.31 -0.50 -0.05 0.00 -0.03 0.00 0.00 54.58 54.30 3men n ASN 220 Cb 0.47 -4.86 -0.07 0.00 -0.61 0.00 0.00 39.78 34.71 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 -3.28 -1.08 0.23 3.10 5.36 -0.82 -5.05 117.98 116.43 3men s PHE 221 Ca 0.53 2.04 -0.30 0.00 -0.96 0.00 0.00 56.93 58.24 3men s PHE 221 Cb -0.24 0.62 -0.15 0.00 -0.34 0.00 0.00 43.02 42.91 3men s PHE 221 CO 0.65 -0.55 0.93 0.98 -1.46 0.00 0.00 175.22 175.77 3men n TYR 222 N 4.83 0.83 1.84 10.12 9.36 -1.26 -1.45 117.16 141.42 3men n TYR 222 Ca -0.16 0.77 0.15 0.00 3.32 0.00 0.00 57.90 61.99 3men n TYR 222 Cb 0.54 -2.18 0.83 0.00 -0.63 0.00 0.00 39.34 37.89 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 1.06 1.14 0.00 2.98 -0.04 -1.26 -4.45 135.00 134.43 3men n PRO 223 Ca 0.13 -0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 3men n PRO 223 Cb 0.28 -1.49 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 -0.71 0.00 0.86 0.55 0.00 -0.53 -4.37 120.51 116.31 3men n ALA 224 Ca 0.22 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.76 3men n ALA 224 Cb 0.18 0.00 0.04 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 -3.66 0.00 0.24 -1.26 -4.62 118.33 109.02 3men n VAL 225 Ca 0.00 -0.39 -0.10 0.00 -2.04 0.00 0.00 64.34 61.81 3men n VAL 225 Cb 0.00 1.32 -0.05 0.00 -1.47 0.00 0.00 33.84 33.65 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 -1.98 -0.85 0.00 2.33 0.00 -1.26 -4.96 121.76 115.04 3men s ALA 226 Ca 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.03 3men s ALA 226 Cb 0.16 0.68 0.00 0.00 0.00 0.00 0.00 23.12 23.96 3men s ALA 226 CO 0.38 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.92 3men n GLY 227 N -0.21 1.27 3.86 0.00 0.00 -1.26 -4.59 105.19 104.25 3men n GLY 227 Ca -0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 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 3.45 -0.92 1.61 0.08 -1.26 -4.58 117.98 114.36 3men s PHE 228 Ca 0.00 1.28 0.19 0.00 0.12 0.00 0.00 56.93 58.52 3men s PHE 228 Cb 0.00 -2.63 0.80 0.00 -0.57 0.00 0.00 43.02 40.62 3men s PHE 228 CO 0.00 -0.22 1.61 -0.40 -0.10 0.00 0.00 175.22 176.10 3men n ASP 229 N -1.36 0.12 -0.33 1.36 5.68 -1.26 -2.37 116.55 118.38 3men n ASP 229 Ca 0.05 0.52 0.13 0.00 -0.50 0.00 0.00 54.79 54.99 3men n ASP 229 Cb 0.54 -0.55 0.61 0.00 -1.14 0.00 0.00 41.12 40.58 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 -1.62 1.02 -4.41 -1.12 5.68 -1.26 -4.69 116.55 110.14 3men n ASP 230 Ca 0.04 -1.40 -0.44 0.00 -0.50 0.00 0.00 54.79 52.49 3men n ASP 230 Cb 0.22 -0.02 -0.04 0.00 -1.14 0.00 0.00 41.12 40.15 3men n ASP 230 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 3men s GLU 231 N -1.96 3.12 -0.02 0.11 2.02 -1.00 -4.87 118.70 116.11 3men s GLU 231 Ca 0.39 -1.18 0.03 0.00 0.02 0.00 0.00 54.97 54.22 3men s GLU 231 Cb 0.20 -4.31 0.05 0.00 0.10 0.00 0.00 34.13 30.17 3men s GLU 231 CO 0.32 -1.67 1.01 0.54 0.02 0.00 0.00 175.26 175.48 3men n ARG 232 N 6.86 2.63 0.00 1.61 1.74 -1.26 -4.52 116.66 123.72 3men n ARG 232 Ca -0.04 -1.64 0.00 0.00 -0.77 0.00 0.00 57.85 55.40 3men n ARG 232 Cb 0.44 -1.06 0.00 0.00 -1.02 0.00 0.00 32.46 30.82 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 -0.63 1.62 3.27 -0.13 0.00 -1.26 -0.71 105.19 107.35 3men n GLY 233 Ca 0.03 -2.03 -0.15 0.00 0.00 0.00 0.00 46.02 43.86 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 -2.01 1.58 0.00 4.61 0.00 -0.85 -4.38 121.76 120.71 3men s ALA 234 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.43 3men s ALA 234 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.15 3men s ALA 234 CO 0.00 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.11 3men n GLY 235 N -0.24 2.93 0.27 0.00 0.00 -1.26 -0.96 105.19 105.93 3men n GLY 235 Ca -0.10 -0.09 0.18 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -0.21 1.61 -0.00 -1.94 -2.39 114.58 111.64 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 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 3men h GLU 236 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 179.01 179.42 3men n GLY 237 N -0.66 0.61 3.69 1.06 0.00 -0.13 -4.39 105.19 105.37 3men n GLY 237 Ca -0.01 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.55 4.39 0.00 0.99 2.96 -0.90 -0.86 118.68 123.70 3men s LEU 238 Ca 0.33 2.67 0.00 0.00 -0.22 0.00 0.00 54.13 56.91 3men s LEU 238 Cb 0.18 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.31 3men s LEU 238 CO 0.27 -0.98 0.00 0.61 -1.32 0.00 0.00 176.35 174.94 3men n GLY 239 N 4.20 1.02 0.53 7.98 0.00 0.12 -4.93 105.19 114.11 3men n GLY 239 Ca 0.17 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.00 0.45 -3.97 1.61 4.01 -0.04 -4.86 117.16 112.36 3men n TYR 240 Ca 0.00 -0.63 -0.29 0.00 -0.16 0.00 0.00 57.90 56.81 3men n TYR 240 Cb 0.00 -0.11 -0.16 0.00 -0.31 0.00 0.00 39.34 38.75 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 -1.39 2.71 -0.25 7.72 2.47 -1.18 -2.27 114.94 122.76 3men s ASN 241 Ca 0.24 -0.54 0.00 0.00 0.42 0.00 0.00 52.86 52.99 3men s ASN 241 Cb 0.16 -1.07 0.07 0.00 -1.45 0.00 0.00 41.25 38.96 3men s ASN 241 CO 0.10 -0.10 -0.01 -0.69 -3.72 0.00 0.00 177.10 172.68 3men s VAL 242 N 1.54 1.33 -0.12 -5.21 1.01 0.43 -4.18 120.40 115.20 3men s VAL 242 Ca 0.03 -1.23 -0.14 0.00 0.00 0.00 0.00 61.98 60.64 3men s VAL 242 Cb -0.14 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 3men s VAL 242 CO -0.09 -0.24 0.33 0.20 0.00 0.00 0.00 175.10 175.30 3men s ASN 243 N 1.46 6.54 -0.59 3.32 0.01 -1.26 -1.36 114.94 123.06 3men s ASN 243 Ca -0.01 0.64 0.06 0.00 -0.71 0.00 0.00 52.86 52.84 3men s ASN 243 Cb -0.18 -2.20 0.26 0.00 0.41 0.00 0.00 41.25 39.53 3men s ASN 243 CO -0.09 0.14 0.73 0.18 -1.51 0.00 0.00 177.10 176.55 3men n LEU 244 N 3.17 3.24 -4.73 0.60 4.77 0.45 -4.58 117.00 119.92 3men n LEU 244 Ca -0.12 -5.35 -0.34 0.00 -0.03 0.00 0.00 56.01 50.17 3men n LEU 244 Cb 0.52 -0.44 0.08 0.00 -2.33 0.00 0.00 43.42 41.26 3men n LEU 244 CO 0.39 2.09 0.80 -2.16 -1.33 0.00 0.00 177.39 177.19 3men s PRO 245 N -2.37 2.32 -0.01 3.23 0.04 -1.26 -3.21 135.00 133.74 3men s PRO 245 Ca 0.40 1.75 0.07 0.00 0.04 0.00 0.00 61.00 63.26 3men s PRO 245 Cb 0.17 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.84 3men s PRO 245 CO -0.04 -1.70 -0.21 -1.64 0.04 0.00 0.00 177.00 173.46 3men s MET 246 N -3.82 1.66 0.61 4.56 -1.94 0.25 -4.87 119.30 115.74 3men s MET 246 Ca 0.75 -0.78 -0.18 0.00 -1.71 0.00 0.00 55.69 53.77 3men s MET 246 Cb -0.29 -1.63 -0.07 0.00 2.01 0.00 0.00 34.83 34.86 3men s MET 246 CO 0.43 0.44 0.64 -2.30 -0.01 0.00 0.00 175.02 174.22 3men n PRO 247 N 2.47 0.56 -1.86 2.03 -0.02 -1.26 -0.93 135.00 135.99 3men n PRO 247 Ca -0.15 0.22 -0.41 0.00 -2.02 0.00 0.00 63.50 61.14 3men n PRO 247 Cb 0.53 -1.84 -0.00 0.00 -0.02 0.00 0.00 33.50 32.17 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 -1.70 2.64 -0.68 6.00 3.76 -1.26 -3.08 115.29 120.97 3men s HIS 248 Ca 0.70 1.23 -0.03 0.00 -0.15 0.00 0.00 55.06 56.81 3men s HIS 248 Cb -0.42 -3.94 0.00 0.00 1.11 0.00 0.00 32.58 29.33 3men s HIS 248 CO 0.53 -2.78 0.43 0.41 -0.85 0.00 0.00 174.74 172.47 3men n GLY 249 N 0.53 0.19 3.84 -2.22 0.00 -0.73 -5.02 105.19 101.80 3men n GLY 249 Ca 0.02 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.01 6.68 0.73 1.61 0.01 -1.01 -4.94 113.70 113.77 3men s SER 250 Ca 0.21 1.54 -0.11 0.00 1.31 0.00 0.00 55.95 58.90 3men s SER 250 Cb -0.09 -2.49 0.03 0.00 0.21 0.00 0.00 66.02 63.67 3men s SER 250 CO 0.26 -0.51 1.07 -0.94 0.41 0.00 0.00 173.24 173.53 3men s SER 251 N -2.87 5.07 0.30 2.44 1.04 -1.26 -1.72 113.70 116.70 3men s SER 251 Ca 0.59 1.47 -0.02 0.00 0.48 0.00 0.00 55.95 58.47 3men s SER 251 Cb -0.10 -2.30 0.43 0.00 0.10 0.00 0.00 66.02 64.16 3men s SER 251 CO 0.27 -1.62 1.96 -0.08 0.98 0.00 0.00 173.24 174.75 3men h GLU 252 N -0.84 1.08 -0.77 4.02 4.81 -1.95 -2.13 114.58 118.80 3men h GLU 252 Ca -0.45 -0.07 0.11 0.00 -0.13 0.00 0.00 59.36 58.81 3men h GLU 252 Cb 1.23 -0.24 -0.08 0.00 0.63 0.00 0.00 28.75 30.30 3men h GLU 252 CO 0.58 0.73 0.40 0.00 -0.73 0.00 0.00 179.01 179.99 3men h ALA 253 N 1.47 1.10 -0.78 2.92 0.00 -1.92 -1.78 119.26 120.26 3men h ALA 253 Ca 0.30 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.29 3men h ALA 253 Cb -0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3men h ALA 253 CO -0.06 -0.02 0.51 0.00 0.00 0.00 0.00 179.25 179.68 3men h ALA 254 N 1.47 1.01 -0.43 0.00 0.00 -1.76 -1.01 119.26 118.55 3men h ALA 254 Ca 0.39 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.31 3men h ALA 254 Cb 0.43 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3men h ALA 254 CO -0.29 0.35 0.17 0.35 0.00 0.00 0.00 179.25 179.83 3men h PHE 255 N 1.01 0.30 0.00 0.00 3.57 -1.15 -2.04 116.94 118.63 3men h PHE 255 Ca 0.30 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.72 3men h PHE 255 Cb -0.04 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 3men h PHE 255 CO -0.03 0.13 -0.47 0.74 -2.23 0.00 0.00 178.31 176.45 3men h PHE 256 N 0.35 0.00 -0.58 0.41 0.04 -0.90 -0.13 116.94 116.13 3men h PHE 256 Ca 0.19 0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.99 3men h PHE 256 Cb 0.16 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.27 3men h PHE 256 CO -0.14 0.47 0.35 0.93 -0.60 0.00 0.00 178.31 179.32 3men h GLU 257 N 0.00 0.66 -0.48 1.51 5.08 -0.93 -1.08 114.58 119.34 3men h GLU 257 Ca -0.00 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 3men h GLU 257 Cb 1.07 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 3men h GLU 257 CO 0.06 0.44 -0.05 0.00 -1.00 0.00 0.00 179.01 178.45 3men h ARG 258 N 0.68 0.85 -0.72 2.33 2.47 -0.74 -1.68 114.38 117.57 3men h ARG 258 Ca 0.23 -0.26 -0.00 0.00 -1.26 0.00 0.00 59.98 58.69 3men h ARG 258 Cb 0.04 -0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.24 3men h ARG 258 CO -0.11 0.88 0.44 0.28 0.56 0.00 0.00 179.97 182.03 3men h VAL 259 N 0.78 1.20 -0.70 2.04 2.07 -0.78 -1.54 116.25 119.32 3men h VAL 259 Ca 0.14 -0.43 0.04 0.00 0.82 0.00 0.00 66.70 67.26 3men h VAL 259 Cb 0.54 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 3men h VAL 259 CO 0.03 0.21 0.43 -0.78 0.02 0.00 0.00 177.57 177.48 3men h ASP 260 N 0.98 0.70 -0.90 0.57 3.58 -0.71 -0.61 116.42 120.03 3men h ASP 260 Ca 0.26 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.70 3men h ASP 260 Cb -0.05 -0.14 -0.04 0.00 1.72 0.00 0.00 39.33 40.82 3men h ASP 260 CO -0.05 0.48 0.51 0.44 -2.88 0.00 0.00 179.24 177.74 3men h ASP 261 N 0.84 1.11 -0.16 2.28 3.32 -0.88 -2.79 116.42 120.13 3men h ASP 261 Ca 0.29 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 3men h ASP 261 Cb 0.05 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 3men h ASP 261 CO -0.12 0.88 0.01 0.00 -1.72 0.00 0.00 179.24 178.29 3men h ALA 262 N 1.30 0.22 -0.31 3.45 0.00 -0.42 -2.78 119.26 120.73 3men h ALA 262 Ca 0.32 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3men h ALA 262 Cb 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3men h ALA 262 CO -0.05 -0.09 0.20 -0.07 0.00 0.00 0.00 179.25 179.24 3men h LEU 263 N 0.04 0.36 -0.83 0.00 3.38 -1.06 -1.41 115.31 115.80 3men h LEU 263 Ca 0.05 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3men h LEU 263 Cb 0.35 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3men h LEU 263 CO 0.01 0.27 0.35 0.03 0.09 0.00 0.00 178.44 179.18 3men h ARG 264 N 0.43 1.21 -0.44 1.13 3.08 -1.33 -1.78 114.38 116.67 3men h ARG 264 Ca 0.11 -0.20 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 3men h ARG 264 Cb -0.04 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 3men h ARG 264 CO -0.02 0.96 -0.07 0.93 -1.07 0.00 0.00 179.97 180.70 3men h GLU 265 N 1.19 0.83 -0.85 0.04 4.39 -1.16 -2.20 114.58 116.82 3men h GLU 265 Ca 0.28 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 3men h GLU 265 Cb 0.18 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 3men h GLU 265 CO -0.03 0.92 0.48 -0.07 -1.16 0.00 0.00 179.01 179.16 3men h LEU 266 N 0.67 1.05 -0.24 1.33 3.38 -1.12 -1.88 115.31 118.49 3men h LEU 266 Ca 0.12 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3men h LEU 266 Cb 0.59 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3men h LEU 266 CO 0.04 0.83 -0.10 0.03 0.09 0.00 0.00 178.44 179.33 3men h ARG 267 N 1.19 0.49 0.00 1.13 2.47 -1.21 0.14 114.38 118.58 3men h ARG 267 Ca 0.30 -0.21 -0.01 0.00 -1.26 0.00 0.00 59.98 58.80 3men h ARG 267 Cb 0.01 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.31 3men h ARG 267 CO -0.05 0.75 -0.04 0.07 0.56 0.00 0.00 179.97 181.26 3men h ARG 268 N 0.22 0.00 0.05 0.04 -0.00 -1.30 -2.74 114.38 110.65 3men h ARG 268 Ca 0.06 0.00 -0.31 0.00 -0.00 0.00 0.00 59.98 59.72 3men h ARG 268 Cb 0.59 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.53 3men h ARG 268 CO 0.03 0.04 -1.76 0.35 -0.00 0.00 0.00 179.97 178.64 3men h PHE 269 N 0.00 0.21 -4.84 4.08 3.57 -0.99 -3.50 116.94 115.47 3men h PHE 269 Ca -0.00 -0.15 -0.13 0.00 3.53 0.00 0.00 57.97 61.22 3men h PHE 269 Cb 0.08 -0.01 0.10 0.00 2.79 0.00 0.00 35.95 38.92 3men h PHE 269 CO 0.00 1.30 -0.45 0.00 -2.23 0.00 0.00 178.31 176.93 3men n ALA 270 N -2.70 -2.09 -1.78 2.41 0.00 0.45 -4.96 120.51 111.83 3men n ALA 270 Ca -0.21 0.07 -0.35 0.00 0.00 0.00 0.00 53.44 52.95 3men n ALA 270 Cb 1.05 -3.47 -0.02 0.00 0.00 0.00 0.00 19.45 17.00 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 -3.72 3.73 0.25 0.00 0.04 -1.26 -4.95 135.00 129.09 3men s PRO 271 Ca 0.24 1.53 0.13 0.00 0.04 0.00 0.00 61.00 62.94 3men s PRO 271 Cb -0.03 -2.20 0.06 0.00 0.04 0.00 0.00 34.50 32.37 3men s PRO 271 CO 0.57 -0.52 1.43 -0.44 0.04 0.00 0.00 177.00 178.08 3men h ASP 272 N 1.71 0.00 -5.07 6.66 3.32 -1.14 -3.47 116.42 118.43 3men h ASP 272 Ca -0.49 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.47 3men h ASP 272 Cb 1.24 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.62 3men h ASP 272 CO 0.59 0.62 -0.26 0.00 -1.72 0.00 0.00 179.24 178.47 3men s ALA 273 N -2.97 -0.63 -0.04 3.45 0.00 -1.12 -4.46 121.76 115.99 3men s ALA 273 Ca 0.03 -0.09 0.05 0.00 0.00 0.00 0.00 51.96 51.94 3men s ALA 273 Cb 0.09 0.37 -0.01 0.00 0.00 0.00 0.00 23.12 23.57 3men s ALA 273 CO 0.76 -0.44 -0.19 -1.17 0.00 0.00 0.00 175.76 174.72 3men s LEU 274 N -2.21 1.96 -0.19 0.00 2.96 -0.28 -1.62 118.68 119.29 3men s LEU 274 Ca -0.03 -0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 53.46 3men s LEU 274 Cb -0.00 -1.05 -0.02 0.00 0.50 0.00 0.00 46.19 45.62 3men s LEU 274 CO -0.05 0.18 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.43 3men s VAL 275 N -0.05 3.64 -0.36 1.68 1.01 0.32 -0.73 120.40 125.90 3men s VAL 275 Ca -0.03 -0.42 -0.10 0.00 0.00 0.00 0.00 61.98 61.44 3men s VAL 275 Cb -0.11 -2.63 0.03 0.00 0.00 0.00 0.00 36.38 33.67 3men s VAL 275 CO 0.02 0.45 0.18 -0.22 0.00 0.00 0.00 175.10 175.52 3men s LEU 276 N 0.99 4.61 -0.64 3.92 2.96 -0.01 -0.74 118.68 129.76 3men s LEU 276 Ca 0.01 -1.05 -0.23 0.00 -0.22 0.00 0.00 54.13 52.63 3men s LEU 276 Cb -0.15 -1.97 0.06 0.00 0.50 0.00 0.00 46.19 44.63 3men s LEU 276 CO 0.01 -0.37 0.98 -0.44 -1.32 0.00 0.00 176.35 175.20 3men s SER 277 N 1.50 6.21 -0.21 3.68 0.01 0.03 0.83 113.70 125.75 3men s SER 277 Ca 0.01 -0.82 -0.07 0.00 1.31 0.00 0.00 55.95 56.38 3men s SER 277 Cb -0.19 -2.43 -0.03 0.00 0.21 0.00 0.00 66.02 63.57 3men s SER 277 CO 0.05 -1.42 0.06 -0.22 0.41 0.00 0.00 173.24 172.13 3men s LEU 278 N 4.14 3.60 -0.03 2.44 2.96 -0.10 -1.37 118.68 130.32 3men s LEU 278 Ca 0.25 -0.07 0.06 0.00 -0.22 0.00 0.00 54.13 54.15 3men s LEU 278 Cb -0.15 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 3men s LEU 278 CO 0.12 0.08 -0.22 -0.83 -1.32 0.00 0.00 176.35 174.18 3men s GLY 279 N 0.95 1.14 0.00 7.98 0.00 -1.26 -1.43 107.32 114.69 3men s GLY 279 Ca 0.04 -0.95 0.17 0.00 0.00 0.00 0.00 44.72 43.98 3men s GLY 279 CO 0.03 -0.68 1.41 0.69 0.00 0.00 0.00 173.10 174.54 3men n PHE 280 N 2.76 0.51 1.53 1.90 3.72 -0.65 -4.22 117.46 123.02 3men n PHE 280 Ca -0.17 -0.25 0.10 0.00 -0.05 0.00 0.00 57.45 57.08 3men n PHE 280 Cb 0.52 0.00 0.43 0.00 -0.94 0.00 0.00 39.48 39.49 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 0.83 0.99 0.07 4.37 5.75 -1.26 -1.92 116.55 125.39 3men n ASP 281 Ca 0.16 -1.61 0.12 0.00 -0.01 0.00 0.00 54.79 53.45 3men n ASP 281 Cb 0.41 -0.07 0.45 0.00 -1.03 0.00 0.00 41.12 40.89 3men n ASP 281 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 3men n VAL 282 N -0.12 0.65 -1.69 2.12 0.24 -1.26 -3.87 118.33 114.40 3men n VAL 282 Ca 0.15 0.05 -0.44 0.00 -2.04 0.00 0.00 64.34 62.06 3men n VAL 282 Cb 0.22 -0.85 -0.02 0.00 -1.47 0.00 0.00 33.84 31.71 3men n VAL 282 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3men n TYR 283 N -1.97 2.38 0.28 6.34 9.36 -0.81 -3.12 117.16 129.62 3men n TYR 283 Ca 0.04 0.37 0.13 0.00 3.32 0.00 0.00 57.90 61.76 3men n TYR 283 Cb 0.29 -2.51 0.81 0.00 -0.63 0.00 0.00 39.34 37.31 3men n TYR 283 CO 0.00 0.00 0.00 0.07 0.22 0.00 0.00 176.86 177.15 3men h ARG 284 N 4.47 0.00 -0.61 2.98 0.11 -1.14 -0.79 114.38 119.41 3men h ARG 284 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 3men h ARG 284 Cb 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 3men h ARG 284 CO 0.77 0.03 0.00 -0.25 0.10 0.00 0.00 179.97 180.62 3men n ASP 285 N -3.98 3.80 -4.75 0.08 8.00 -1.26 -4.93 116.55 113.51 3men n ASP 285 Ca -0.03 -2.09 -0.41 0.00 0.71 0.00 0.00 54.79 52.97 3men n ASP 285 Cb 0.11 -0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 40.75 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 -1.01 6.84 0.35 -2.24 2.15 -0.30 -4.92 116.67 117.54 3men s ASP 286 Ca 0.42 2.54 0.03 0.00 0.43 0.00 0.00 52.55 55.97 3men s ASP 286 Cb 0.23 -2.63 0.64 0.00 -0.30 0.00 0.00 42.92 40.86 3men s ASP 286 CO 0.27 -0.53 1.99 1.55 -0.17 0.00 0.00 175.17 178.29 3men h PRO 287 N 4.45 0.79 0.00 4.34 0.13 -1.92 -1.84 132.00 137.95 3men h PRO 287 Ca -0.47 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 3men h PRO 287 Cb 1.22 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3men h PRO 287 CO 0.72 0.55 0.00 1.04 -0.23 0.00 0.00 178.00 180.08 3men n GLN 288 N -4.42 0.92 -2.80 0.86 1.13 -1.26 -4.95 117.38 106.86 3men n GLN 288 Ca 0.06 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.75 3men n GLN 288 Cb 0.07 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 28.85 3men n GLN 288 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3men s SER 289 N -2.05 7.29 -0.10 1.08 0.15 -0.69 -4.95 113.70 114.42 3men s SER 289 Ca 0.45 1.81 0.14 0.00 0.70 0.00 0.00 55.95 59.05 3men s SER 289 Cb 0.21 -2.57 0.25 0.00 -1.71 0.00 0.00 66.02 62.20 3men s SER 289 CO 0.37 -0.09 1.13 0.00 1.20 0.00 0.00 173.24 175.85 3men n GLN 290 N 0.47 0.98 -3.81 5.44 1.13 -1.26 -4.95 117.38 115.36 3men n GLN 290 Ca 0.02 -2.29 -0.12 0.00 -1.94 0.00 0.00 57.00 52.67 3men n GLN 290 Cb 0.50 -1.23 -0.09 0.00 0.11 0.00 0.00 30.24 29.54 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 -2.16 0.07 -0.54 5.09 0.11 -1.26 -1.77 120.40 119.95 3men s VAL 291 Ca 0.26 -0.62 -0.03 0.00 -2.93 0.00 0.00 61.98 58.65 3men s VAL 291 Cb 0.23 -0.60 0.13 0.00 -1.53 0.00 0.00 36.38 34.62 3men s VAL 291 CO 0.00 -0.34 2.60 0.00 -3.33 0.00 0.00 175.10 174.03 3men n ALA 292 N 1.23 6.47 -2.35 1.54 0.00 -0.70 -4.10 120.51 122.60 3men n ALA 292 Ca -0.22 -3.29 -0.42 0.00 0.00 0.00 0.00 53.44 49.52 3men n ALA 292 Cb 0.56 -2.11 -0.03 0.00 0.00 0.00 0.00 19.45 17.88 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 -2.90 3.91 0.60 0.00 1.01 -1.18 -4.03 120.40 117.81 3men s VAL 293 Ca 0.57 1.33 -0.04 0.00 0.00 0.00 0.00 61.98 63.84 3men s VAL 293 Cb 0.40 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.95 3men s VAL 293 CO -0.27 0.05 0.89 0.42 0.00 0.00 0.00 175.10 176.19 3men s THR 294 N 1.69 3.09 0.20 3.92 -4.23 -1.26 -0.83 115.64 118.22 3men s THR 294 Ca 0.60 -0.25 -0.10 0.00 -1.18 0.00 0.00 61.69 60.76 3men s THR 294 Cb -0.30 -3.24 0.13 0.00 1.34 0.00 0.00 72.50 70.44 3men s THR 294 CO 0.27 -0.22 1.82 0.74 -0.54 0.00 0.00 174.62 176.69 3men h THR 295 N -0.20 1.02 -0.01 3.99 2.02 -1.96 -0.79 112.91 116.97 3men h THR 295 Ca -0.45 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 66.45 3men h THR 295 Cb 1.28 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 3men h THR 295 CO 0.59 0.13 -0.16 -2.24 0.37 0.00 0.00 175.52 174.21 3men h ASP 296 N 0.73 0.01 -0.62 4.18 3.04 -1.94 -2.09 116.42 119.73 3men h ASP 296 Ca 0.28 -0.00 0.07 0.00 -3.24 0.00 0.00 57.03 54.13 3men h ASP 296 Cb 0.10 -0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.35 3men h ASP 296 CO -0.14 0.17 0.41 1.23 -2.04 0.00 0.00 179.24 178.87 3men h GLY 297 N 0.51 0.75 1.64 7.15 0.00 -1.51 -0.85 103.07 110.75 3men h GLY 297 Ca 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 3men h GLY 297 CO 0.02 0.17 -0.01 0.74 0.00 0.00 0.00 176.54 177.47 3men h PHE 298 N 0.58 0.46 -0.43 5.60 0.04 -1.23 -0.18 116.94 121.79 3men h PHE 298 Ca 0.27 -0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.94 3men h PHE 298 Cb 0.32 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 3men h PHE 298 CO -0.00 0.47 0.03 0.78 -0.60 0.00 0.00 178.31 178.99 3men h GLY 299 N 0.77 0.79 1.00 -1.45 0.00 -1.25 -0.44 103.07 102.50 3men h GLY 299 Ca 0.10 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 3men h GLY 299 CO 0.01 0.52 0.42 -0.09 0.00 0.00 0.00 176.54 177.40 3men h ARG 300 N 0.58 0.92 0.15 4.80 2.43 -0.92 -1.72 114.38 120.62 3men h ARG 300 Ca 0.13 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3men h ARG 300 Cb 0.44 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3men h ARG 300 CO 0.02 0.64 -0.09 1.25 -1.51 0.00 0.00 179.97 180.27 3men h LEU 301 N 0.93 -0.23 -1.11 3.80 5.85 -0.90 -1.90 115.31 121.74 3men h LEU 301 Ca 0.25 0.02 0.03 0.00 0.84 0.00 0.00 57.88 59.01 3men h LEU 301 Cb -0.05 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 3men h LEU 301 CO -0.05 -0.15 0.60 1.23 -0.34 0.00 0.00 178.44 179.73 3men h GLY 302 N -0.23 1.31 0.85 3.75 0.00 -0.93 -1.77 103.07 106.05 3men h GLY 302 Ca -0.01 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 3men h GLY 302 CO 0.01 0.40 0.03 0.84 0.00 0.00 0.00 176.54 177.82 3men h HIS 303 N 1.16 0.11 -0.39 5.60 -0.00 -1.19 0.34 115.15 120.77 3men h HIS 303 Ca 0.36 -0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.64 3men h HIS 303 Cb -0.01 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.36 3men h HIS 303 CO -0.00 0.24 -0.11 -0.07 -0.00 0.00 0.00 177.93 177.99 3men h LEU 304 N -0.05 0.67 0.04 0.26 3.38 -0.96 -1.78 115.31 116.87 3men h LEU 304 Ca 0.02 -0.19 -0.23 0.00 0.09 0.00 0.00 57.88 57.58 3men h LEU 304 Cb 0.18 -0.18 0.02 0.00 0.09 0.00 0.00 40.66 40.77 3men h LEU 304 CO -0.00 0.81 -0.91 0.40 0.09 0.00 0.00 178.44 178.82 3men h ILE 305 N 0.62 1.36 0.00 1.22 2.04 -1.18 -3.22 117.51 118.34 3men h ILE 305 Ca 0.11 -2.27 -0.00 0.00 1.00 0.00 0.00 64.86 63.70 3men h ILE 305 Cb 0.55 2.62 -0.00 0.00 -0.74 0.00 0.00 36.82 39.25 3men h ILE 305 CO 0.03 0.68 -0.01 1.23 0.00 0.00 0.00 178.15 180.08 3men h GLY 306 N 0.11 0.00 2.00 5.37 0.00 -0.19 -2.69 103.07 107.68 3men h GLY 306 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3men h GLY 306 CO 0.18 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.72 3men n ALA 307 N -2.53 1.73 0.24 3.60 0.00 -0.68 -1.57 120.51 121.30 3men n ALA 307 Ca -0.03 0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.53 3men n ALA 307 Cb 0.10 -1.37 0.58 0.00 0.00 0.00 0.00 19.45 18.76 3men n ALA 307 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3men h LEU 308 N 0.00 0.00 -1.48 0.00 3.38 -1.60 -3.47 115.31 112.14 3men h LEU 308 Ca 0.00 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.58 3men h LEU 308 Cb 0.38 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.23 3men h LEU 308 CO 0.00 0.14 -0.77 0.54 0.09 0.00 0.00 178.44 178.44 3men n ARG 309 N -4.20 -6.11 -4.21 1.13 1.74 -0.61 -4.98 116.66 99.43 3men n ARG 309 Ca -0.02 0.73 -0.31 0.00 -0.77 0.00 0.00 57.85 57.48 3men n ARG 309 Cb 0.22 -5.58 -0.09 0.00 -1.02 0.00 0.00 32.46 25.99 3men n ARG 309 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3men s LEU 310 N -6.75 3.39 0.01 0.55 1.43 -1.26 -5.06 118.68 110.99 3men s LEU 310 Ca 0.19 -0.16 -0.32 0.00 -1.03 0.00 0.00 54.13 52.80 3men s LEU 310 Cb -0.09 -2.08 -0.11 0.00 0.03 0.00 0.00 46.19 43.95 3men s LEU 310 CO 0.77 0.21 1.89 -2.65 0.23 0.00 0.00 176.35 176.80 3men n PRO 311 N 0.86 2.56 -4.11 1.29 -0.02 -1.26 -4.85 135.00 129.46 3men n PRO 311 Ca -0.12 0.93 -0.24 0.00 -2.02 0.00 0.00 63.50 62.05 3men n PRO 311 Cb 0.52 -2.83 -0.17 0.00 -0.02 0.00 0.00 33.50 31.01 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 3.77 0.83 -0.38 3.45 2.01 -0.81 -1.12 115.64 123.38 3men s THR 312 Ca 0.88 -0.23 -0.15 0.00 0.31 0.00 0.00 61.69 62.50 3men s THR 312 Cb -0.55 -0.84 0.01 0.00 0.01 0.00 0.00 72.50 71.12 3men s THR 312 CO 0.45 0.31 0.35 -0.69 -0.69 0.00 0.00 174.62 174.35 3men s VAL 313 N 1.30 5.18 -0.18 3.82 1.01 0.09 -2.01 120.40 129.62 3men s VAL 313 Ca -0.04 -0.31 -0.23 0.00 0.00 0.00 0.00 61.98 61.41 3men s VAL 313 Cb -0.14 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 3men s VAL 313 CO -0.03 -0.24 0.71 -0.63 0.00 0.00 0.00 175.10 174.91 3men s ILE 314 N 1.92 4.97 -0.18 2.22 1.01 0.47 -0.83 121.20 130.77 3men s ILE 314 Ca 0.09 1.38 0.00 0.00 0.00 0.00 0.00 60.65 62.12 3men s ILE 314 Cb -0.17 -4.03 0.01 0.00 0.01 0.00 0.00 42.46 38.28 3men s ILE 314 CO 0.12 0.09 -0.17 -0.69 0.00 0.00 0.00 174.94 174.29 3men s VAL 315 N 1.92 2.37 -0.06 2.92 1.01 0.24 -0.26 120.40 128.54 3men s VAL 315 Ca 0.33 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 3men s VAL 315 Cb -0.16 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 3men s VAL 315 CO 0.12 0.52 1.37 -1.58 0.00 0.00 0.00 175.10 175.52 3men s GLN 316 N 1.26 4.27 0.00 2.72 2.00 -1.02 -0.92 119.66 127.97 3men s GLN 316 Ca 0.04 1.87 0.00 0.00 -2.00 0.00 0.00 55.36 55.27 3men s GLN 316 Cb -0.14 -3.68 0.00 0.00 0.80 0.00 0.00 33.01 30.00 3men s GLN 316 CO -0.09 -0.62 0.00 0.39 -0.50 0.00 0.00 175.29 174.46 3men n GLU 317 N 5.89 0.00 -0.12 1.67 -0.58 -0.52 -4.37 120.64 122.61 3men n GLU 317 Ca 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 3men n GLU 317 Cb 0.44 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.31 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 -0.39 0.00 0.62 0.00 -1.26 -4.67 105.19 104.49 3men n GLY 318 Ca 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 5.00 2.52 0.04 -0.02 0.00 -1.26 -1.63 105.19 109.83 3men n GLY 319 Ca 0.00 -0.79 0.01 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.71 1.61 4.01 -1.26 -4.87 117.16 113.94 3men n TYR 320 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 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 -0.39 2.49 0.19 -0.72 2.46 -1.26 -4.91 115.29 113.14 3men s HIS 321 Ca 0.01 -0.31 -0.11 0.00 0.47 0.00 0.00 55.06 55.13 3men s HIS 321 Cb 0.01 -4.45 0.10 0.00 -0.13 0.00 0.00 32.58 28.11 3men s HIS 321 CO 0.03 -1.85 1.76 0.82 -2.47 0.00 0.00 174.74 173.02 3men h ILE 322 N 6.00 1.23 0.00 0.89 1.08 -1.98 -3.06 117.51 121.67 3men h ILE 322 Ca -0.28 -0.71 0.00 0.00 -0.39 0.00 0.00 64.86 63.48 3men h ILE 322 Cb 1.06 0.47 0.00 0.00 -3.07 0.00 0.00 36.82 35.28 3men h ILE 322 CO 1.23 0.28 0.00 -0.62 -0.69 0.00 0.00 178.15 178.35 3men n GLU 323 N -4.43 0.07 -0.02 2.37 -0.58 -1.26 -2.38 120.64 114.41 3men n GLU 323 Ca 0.05 0.21 0.04 0.00 -0.42 0.00 0.00 57.16 57.03 3men n GLU 323 Cb 0.16 -1.61 0.04 0.00 -0.57 0.00 0.00 31.44 29.46 3men n GLU 323 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3men n SER 324 N -1.73 1.80 -0.15 1.62 3.41 -1.16 -4.75 113.62 112.66 3men n SER 324 Ca 0.04 -1.44 -0.09 0.00 -0.26 0.00 0.00 58.87 57.13 3men n SER 324 Cb 0.26 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.18 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 1.44 0.64 -0.16 1.04 3.38 -1.38 -0.39 115.31 119.87 3men h LEU 325 Ca 0.00 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 3men h LEU 325 Cb 0.37 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3men h LEU 325 CO 0.00 0.69 0.06 -0.08 0.09 0.00 0.00 178.44 179.20 3men h GLU 326 N 0.55 0.25 -0.59 1.13 4.81 -1.80 -1.18 114.58 117.75 3men h GLU 326 Ca 0.13 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.22 3men h GLU 326 Cb 0.30 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 3men h GLU 326 CO -0.00 0.36 0.02 0.00 -0.73 0.00 0.00 179.01 178.65 3men h ALA 327 N 0.88 0.79 -0.59 2.92 0.00 -1.85 -1.68 119.26 119.73 3men h ALA 327 Ca 0.05 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3men h ALA 327 Cb 0.21 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3men h ALA 327 CO -0.00 0.62 0.10 -0.91 0.00 0.00 0.00 179.25 179.06 3men h ASN 328 N 0.93 0.93 -0.36 0.00 2.35 -0.98 -2.14 115.58 116.30 3men h ASN 328 Ca 0.17 -0.26 -0.17 0.00 -0.55 0.00 0.00 56.30 55.50 3men h ASN 328 Cb 0.53 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 3men h ASN 328 CO 0.03 0.94 -0.43 0.00 -1.65 0.00 0.00 177.43 176.33 3men h ALA 329 N 1.01 0.55 -0.67 -0.83 0.00 -1.16 -1.01 119.26 117.16 3men h ALA 329 Ca 0.18 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 3men h ALA 329 Cb 0.41 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3men h ALA 329 CO 0.01 0.68 0.25 0.00 0.00 0.00 0.00 179.25 180.19 3men h ARG 330 N 0.75 1.02 -0.30 0.00 3.08 -1.30 -0.82 114.38 116.80 3men h ARG 330 Ca 0.05 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 3men h ARG 330 Cb 1.03 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 3men h ARG 330 CO 0.10 0.86 0.06 1.03 -1.07 0.00 0.00 179.97 180.95 3men h SER 331 N 0.96 0.47 0.00 7.04 0.87 -1.26 -0.39 113.55 121.25 3men h SER 331 Ca 0.22 -0.25 0.03 0.00 -1.23 0.00 0.00 61.79 60.57 3men h SER 331 Cb 0.23 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 62.01 3men h SER 331 CO -0.02 0.60 -0.41 0.15 -0.53 0.00 0.00 176.83 176.62 3men h PHE 332 N 0.32 -1.17 -0.46 2.24 3.57 -0.86 -1.02 116.94 119.56 3men h PHE 332 Ca 0.09 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.57 3men h PHE 332 Cb 0.32 0.51 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 3men h PHE 332 CO 0.02 -0.49 0.04 0.74 -2.23 0.00 0.00 178.31 176.38 3men h PHE 333 N -0.57 0.76 -0.71 0.41 0.04 -1.14 0.45 116.94 116.19 3men h PHE 333 Ca 0.05 -0.09 -0.07 0.00 2.80 0.00 0.00 57.97 60.66 3men h PHE 333 Cb 0.65 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.55 3men h PHE 333 CO -0.42 0.69 0.16 0.78 -0.60 0.00 0.00 178.31 178.93 3men h GLY 334 N 0.94 1.22 1.08 -1.45 0.00 -0.81 -2.49 103.07 101.56 3men h GLY 334 Ca 0.14 -0.77 -0.12 0.00 0.00 0.00 0.00 47.33 46.58 3men h GLY 334 CO 0.01 0.72 -0.17 -1.33 0.00 0.00 0.00 176.54 175.77 3men h GLY 335 N 1.08 1.03 1.00 4.60 0.00 -0.85 -3.31 103.07 106.62 3men h GLY 335 Ca 0.22 -0.89 0.00 0.00 0.00 0.00 0.00 47.33 46.66 3men h GLY 335 CO 0.00 0.81 0.39 -2.75 0.00 0.00 0.00 176.54 175.00 3men h PHE 336 N 0.80 0.78 0.00 5.60 3.57 -0.54 -2.48 116.94 124.67 3men h PHE 336 Ca 0.11 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3men h PHE 336 Cb 0.74 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.22 3men h PHE 336 CO 0.05 0.51 0.00 0.41 -2.23 0.00 0.00 178.31 177.05 3men n GLY 337 N -1.22 -1.38 0.28 2.40 0.00 -0.97 -4.25 105.19 100.04 3men n GLY 337 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 3men n GLY 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3men h ALA 338 N 2.49 -0.30 -0.59 4.61 0.00 -1.53 -2.46 119.26 121.47 3men h ALA 338 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3men h ALA 338 Cb 0.47 0.46 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3men h ALA 338 CO 0.00 -0.74 0.00 1.28 0.00 0.00 0.00 179.25 179.79 3men n LEU 339 N -5.37 5.43 -4.94 0.00 4.77 -1.26 -4.96 117.00 110.68 3men n LEU 339 Ca -0.04 -2.75 -0.20 0.00 -0.03 0.00 0.00 56.01 52.99 3men n LEU 339 Cb 0.29 -0.66 -0.02 0.00 -2.33 0.00 0.00 43.42 40.70 3men n LEU 339 CO 0.20 0.67 0.01 -0.13 -1.33 0.00 0.00 177.39 176.81 3men s ARG 340 N -2.51 2.91 0.00 3.23 0.52 -0.93 -4.80 118.95 117.37 3men s ARG 340 Ca 0.53 -1.17 0.00 0.00 -0.52 0.00 0.00 55.73 54.57 3men s ARG 340 Cb 0.39 -2.66 0.00 0.00 0.52 0.00 0.00 34.95 33.20 3men s ARG 340 CO 0.18 0.02 0.00 0.41 0.02 0.00 0.00 175.30 175.93