#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 -0.03 0.12 4.33 0.00 -1.26 -5.00 119.30 117.45 3men s MET 1 Ca 0.00 0.28 -0.34 0.00 0.00 0.00 0.00 55.69 55.64 3men s MET 1 Cb 0.00 -0.32 -0.13 0.00 0.00 0.00 0.00 34.83 34.38 3men s MET 1 CO 0.00 -0.22 1.65 1.28 0.00 0.00 0.00 175.02 177.72 3men n LEU 2 N 4.57 3.21 -4.18 4.11 4.77 -1.26 -4.06 117.00 124.15 3men n LEU 2 Ca -0.20 1.06 -0.29 0.00 -0.03 0.00 0.00 56.01 56.55 3men n LEU 2 Cb 0.50 -1.42 -0.17 0.00 -2.33 0.00 0.00 43.42 40.00 3men n LEU 2 CO 0.16 -0.22 -0.54 -0.89 -1.33 0.00 0.00 177.39 174.58 3men s THR 3 N 1.56 1.78 -0.10 -5.08 2.01 -0.43 -1.00 115.64 114.38 3men s THR 3 Ca 0.81 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.95 3men s THR 3 Cb -0.67 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.29 3men s THR 3 CO 0.40 0.50 -0.17 -0.31 -0.69 0.00 0.00 174.62 174.36 3men s TYR 4 N 0.19 2.71 -0.27 4.92 2.02 -0.43 -0.09 117.35 126.40 3men s TYR 4 Ca -0.11 -0.65 -0.22 0.00 -0.37 0.00 0.00 57.07 55.72 3men s TYR 4 Cb -0.15 -1.76 0.08 0.00 -0.40 0.00 0.00 41.96 39.73 3men s TYR 4 CO 0.05 -0.19 0.73 0.12 -1.57 0.00 0.00 175.55 174.69 3men s PHE 5 N 0.13 -0.87 -0.11 2.71 5.36 -0.42 -1.70 117.98 123.08 3men s PHE 5 Ca -0.08 1.95 0.02 0.00 -0.96 0.00 0.00 56.93 57.86 3men s PHE 5 Cb -0.15 0.41 -0.01 0.00 -0.34 0.00 0.00 43.02 42.93 3men s PHE 5 CO 0.05 -0.43 -0.18 -1.58 -1.46 0.00 0.00 175.22 171.62 3men s HIS 6 N 0.85 2.68 0.53 10.12 5.65 -1.26 -3.71 115.29 130.15 3men s HIS 6 Ca -0.04 -0.79 0.20 0.00 0.25 0.00 0.00 55.06 54.68 3men s HIS 6 Cb -0.05 -1.76 1.40 0.00 -1.18 0.00 0.00 32.58 30.98 3men s HIS 6 CO -0.07 -0.28 2.16 -1.00 -0.65 0.00 0.00 174.74 174.90 3men h PRO 7 N 6.61 0.00 -0.07 2.88 0.13 -1.99 0.14 132.00 139.70 3men h PRO 7 Ca -0.24 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.91 3men h PRO 7 Cb 1.22 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.35 3men h PRO 7 CO 0.51 0.02 0.23 -0.44 -0.23 0.00 0.00 178.00 178.09 3men h ASP 8 N 0.00 0.00 0.33 1.44 5.19 -1.96 -0.75 116.42 120.67 3men h ASP 8 Ca -0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 3men h ASP 8 Cb 0.04 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.55 3men h ASP 8 CO 0.00 0.00 -0.13 1.56 -3.12 0.00 0.00 179.24 177.55 3men h GLN 9 N 0.00 0.00 0.00 3.56 4.20 -0.96 -2.11 115.11 119.80 3men h GLN 9 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3men h GLN 9 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 3men h GLN 9 CO -0.00 0.13 0.00 0.77 -0.67 0.00 0.00 178.83 179.06 3men h SER 10 N 0.00 0.00 1.32 1.46 0.02 -1.31 -3.35 113.55 111.70 3men h SER 10 Ca -0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 3men h SER 10 Cb 0.33 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 3men h SER 10 CO 0.02 0.00 -0.28 -0.07 -1.14 0.00 0.00 176.83 175.35 3men h LEU 11 N 0.00 0.00 -9.39 5.07 3.38 -1.51 -3.44 115.31 109.42 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 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3men h LEU 11 CO 0.00 0.28 0.82 -2.28 0.09 0.00 0.00 178.44 177.35 3men s HIS 12 N -3.32 2.89 -0.50 1.13 2.46 -1.26 -4.62 115.29 112.08 3men s HIS 12 Ca 0.03 0.83 0.07 0.00 0.47 0.00 0.00 55.06 56.46 3men s HIS 12 Cb 0.08 -3.67 0.20 0.00 -0.13 0.00 0.00 32.58 29.07 3men s HIS 12 CO 0.68 -2.45 0.73 1.58 -2.47 0.00 0.00 174.74 172.82 3men n HIS 13 N 5.21 -3.38 -2.02 3.88 -0.00 -1.26 -4.42 115.22 113.22 3men n HIS 13 Ca 0.13 -1.68 -0.30 0.00 -0.00 0.00 0.00 57.72 55.86 3men n HIS 13 Cb 0.43 1.35 0.01 0.00 -0.00 0.00 0.00 29.99 31.79 3men n HIS 13 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 3men s PRO 14 N 0.70 3.45 -0.01 1.57 0.05 -1.26 -5.00 135.00 134.49 3men s PRO 14 Ca 0.31 0.58 0.10 0.00 0.05 0.00 0.00 61.00 62.04 3men s PRO 14 Cb 0.07 -2.13 -0.15 0.00 0.05 0.00 0.00 34.50 32.34 3men s PRO 14 CO -0.11 -0.59 0.22 0.54 0.05 0.00 0.00 177.00 177.11 3men n ARG 15 N -2.70 0.55 -3.68 4.56 5.12 -1.26 -4.79 116.66 114.46 3men n ARG 15 Ca 0.05 -0.08 -0.39 0.00 -1.93 0.00 0.00 57.85 55.50 3men n ARG 15 Cb 0.55 -1.21 -0.12 0.00 -1.16 0.00 0.00 32.46 30.53 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 -2.61 4.12 -0.06 0.55 2.01 -1.26 -4.58 115.64 113.81 3men s THR 16 Ca -0.03 -1.10 0.02 0.00 0.31 0.00 0.00 61.69 60.89 3men s THR 16 Cb 0.06 -3.36 0.01 0.00 0.01 0.00 0.00 72.50 69.23 3men s THR 16 CO 0.40 -0.26 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.65 3men s TYR 17 N 1.45 1.31 -0.15 4.92 2.02 -1.26 -4.51 117.35 121.13 3men s TYR 17 Ca 0.00 -0.47 0.01 0.00 -0.37 0.00 0.00 57.07 56.24 3men s TYR 17 Cb -0.20 -0.98 -0.00 0.00 -0.40 0.00 0.00 41.96 40.38 3men s TYR 17 CO 0.04 -0.26 -0.16 0.12 -1.57 0.00 0.00 175.55 173.72 3men s PHE 18 N 0.71 2.77 -0.22 2.71 5.36 -0.54 -0.12 117.98 128.64 3men s PHE 18 Ca -0.14 -1.07 -0.21 0.00 -0.96 0.00 0.00 56.93 54.55 3men s PHE 18 Cb -0.16 -1.88 0.06 0.00 -0.34 0.00 0.00 43.02 40.70 3men s PHE 18 CO 0.03 -0.49 0.60 0.45 -1.46 0.00 0.00 175.22 174.35 3men s SER 19 N 0.81 -0.62 -1.13 6.13 0.15 -0.37 -4.07 113.70 114.60 3men s SER 19 Ca -0.06 1.20 -0.26 0.00 0.70 0.00 0.00 55.95 57.54 3men s SER 19 Cb -0.15 1.22 0.02 0.00 -1.71 0.00 0.00 66.02 65.40 3men s SER 19 CO -0.00 -0.21 0.71 0.54 1.20 0.00 0.00 173.24 175.48 3men n ARG 20 N 2.77 -0.71 0.00 5.44 1.74 -1.26 -2.21 116.66 122.43 3men n ARG 20 Ca -0.14 0.31 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 3men n ARG 20 Cb 0.56 -3.03 0.00 0.00 -1.02 0.00 0.00 32.46 28.97 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 -1.91 2.60 3.16 -0.13 0.00 -1.26 -4.99 105.19 102.67 3men n GLY 21 Ca -0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.44 0.72 0.19 1.61 1.70 -0.94 -5.13 118.95 116.67 3men s ARG 22 Ca 0.00 -0.86 -0.30 0.00 -0.47 0.00 0.00 55.73 54.09 3men s ARG 22 Cb 0.00 0.29 -0.09 0.00 -0.57 0.00 0.00 34.95 34.58 3men s ARG 22 CO 0.00 -0.20 1.38 -1.64 -1.08 0.00 0.00 175.30 173.76 3men s MET 23 N -3.27 4.33 0.33 3.89 -1.94 -1.26 -1.23 119.30 120.14 3men s MET 23 Ca 0.01 2.15 0.08 0.00 -1.71 0.00 0.00 55.69 56.22 3men s MET 23 Cb 0.02 -3.18 -0.06 0.00 2.01 0.00 0.00 34.83 33.62 3men s MET 23 CO -0.08 -0.36 -0.07 1.03 -0.01 0.00 0.00 175.02 175.53 3men s ARG 24 N 0.15 1.74 0.17 2.03 0.52 0.83 -4.95 118.95 119.44 3men s ARG 24 Ca 0.60 -1.91 -0.30 0.00 -0.52 0.00 0.00 55.73 53.60 3men s ARG 24 Cb -0.39 -1.49 -0.08 0.00 0.52 0.00 0.00 34.95 33.52 3men s ARG 24 CO 0.37 0.08 1.26 0.00 0.02 0.00 0.00 175.30 177.03 3men s MET 25 N -3.67 4.42 0.32 3.54 0.00 -1.26 -4.06 119.30 118.60 3men s MET 25 Ca 0.32 1.96 -0.29 0.00 0.00 0.00 0.00 55.69 57.68 3men s MET 25 Cb 0.04 -3.23 -0.12 0.00 0.00 0.00 0.00 34.83 31.51 3men s MET 25 CO 0.15 -0.21 1.38 -2.30 0.00 0.00 0.00 175.02 174.04 3men n PRO 26 N 2.87 2.27 -0.05 3.16 -0.02 -1.26 -4.94 135.00 137.03 3men n PRO 26 Ca 0.06 0.80 -0.06 0.00 -2.02 0.00 0.00 63.50 62.28 3men n PRO 26 Cb 0.44 -2.45 -0.05 0.00 -0.02 0.00 0.00 33.50 31.42 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 1.03 1.02 -2.36 -0.52 6.02 -1.26 -4.85 117.38 116.46 3men n GLN 27 Ca 0.06 0.04 -0.41 0.00 -0.01 0.00 0.00 57.00 56.68 3men n GLN 27 Cb 0.36 -1.21 -0.01 0.00 1.02 0.00 0.00 30.24 30.40 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 -2.64 2.88 -4.18 -1.09 0.00 -1.26 -4.92 120.64 109.42 3men n GLU 28 Ca -0.17 -3.04 -0.26 0.00 0.00 0.00 0.00 57.16 53.69 3men n GLU 28 Cb 0.71 -3.49 -0.07 0.00 0.00 0.00 0.00 31.44 28.59 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 5.15 3.87 0.51 6.31 -7.23 -1.26 -4.85 120.40 122.90 3men s VAL 29 Ca 0.55 -1.36 0.30 0.00 -1.81 0.00 0.00 61.98 59.67 3men s VAL 29 Cb 0.05 -2.95 0.48 0.00 0.56 0.00 0.00 36.38 34.51 3men s VAL 29 CO 0.07 -0.11 1.86 -0.65 -0.31 0.00 0.00 175.10 175.96 3men h PRO 30 N 2.64 0.08 -0.24 4.82 0.11 -1.85 -0.90 132.00 136.66 3men h PRO 30 Ca -0.47 -0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.71 3men h PRO 30 Cb 1.20 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3men h PRO 30 CO 0.59 0.05 0.18 1.49 -0.21 0.00 0.00 178.00 180.11 3men h GLU 31 N 0.08 0.00 -0.61 1.05 4.57 -1.95 -2.28 114.58 115.44 3men h GLU 31 Ca 0.48 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.66 3men h GLU 31 Cb 1.75 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 30.31 3men h GLU 31 CO -0.05 0.00 0.39 0.00 -1.18 0.00 0.00 179.01 178.17 3men h ARG 32 N 0.00 0.82 -0.84 1.92 3.08 -1.53 -1.35 114.38 116.48 3men h ARG 32 Ca 0.12 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3men h ARG 32 Cb 0.48 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 3men h ARG 32 CO -0.00 0.56 0.53 0.00 -1.07 0.00 0.00 179.97 179.99 3men h ALA 33 N 1.21 1.07 -0.21 0.04 0.00 -1.58 -2.36 119.26 117.43 3men h ALA 33 Ca 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3men h ALA 33 Cb -0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 3men h ALA 33 CO -0.05 0.51 0.08 0.00 0.00 0.00 0.00 179.25 179.79 3men h ALA 34 N 1.29 0.27 -0.85 0.00 0.00 -1.30 0.17 119.26 118.83 3men h ALA 34 Ca 0.30 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3men h ALA 34 Cb -0.08 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 3men h ALA 34 CO -0.06 -0.13 0.56 0.07 0.00 0.00 0.00 179.25 179.69 3men h ARG 35 N 0.17 1.06 0.05 0.00 -0.00 -1.21 -1.04 114.38 113.42 3men h ARG 35 Ca 0.07 -0.06 -0.26 0.00 -0.00 0.00 0.00 59.98 59.73 3men h ARG 35 Cb 0.19 -0.24 0.01 0.00 -0.00 0.00 0.00 29.97 29.93 3men h ARG 35 CO -0.00 0.70 -1.08 -0.07 -0.00 0.00 0.00 179.97 179.52 3men h LEU 36 N 1.09 0.64 -0.53 0.08 3.38 -0.97 -2.47 115.31 116.53 3men h LEU 36 Ca 0.33 -0.56 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 3men h LEU 36 Cb -0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3men h LEU 36 CO -0.09 1.37 0.05 0.58 0.09 0.00 0.00 178.44 180.44 3men h VAL 37 N 0.23 1.26 -0.70 1.22 2.07 -0.47 -1.51 116.25 118.35 3men h VAL 37 Ca -0.12 -1.02 0.13 0.00 0.82 0.00 0.00 66.70 66.51 3men h VAL 37 Cb 1.74 0.88 -0.09 0.00 -1.52 0.00 0.00 31.29 32.30 3men h VAL 37 CO 0.19 0.36 0.25 0.00 0.02 0.00 0.00 177.57 178.40 3men h ALA 38 N 0.97 0.94 -1.00 1.67 0.00 -1.20 -0.82 119.26 119.82 3men h ALA 38 Ca 0.16 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.21 3men h ALA 38 Cb 0.46 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 3men h ALA 38 CO 0.02 -0.23 0.66 0.00 0.00 0.00 0.00 179.25 179.70 3men h ALA 39 N 1.52 1.30 0.70 0.00 0.00 -0.88 0.12 119.26 122.02 3men h ALA 39 Ca 0.38 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 3men h ALA 39 Cb 0.56 -0.38 0.01 0.00 0.00 0.00 0.00 17.79 17.97 3men h ALA 39 CO -0.39 0.60 -0.33 0.00 0.00 0.00 0.00 179.25 179.13 3men h ALA 40 N 1.39 -0.94 -0.99 0.00 0.00 -0.22 -2.76 119.26 115.73 3men h ALA 40 Ca 0.38 -0.22 0.14 0.00 0.00 0.00 0.00 54.91 55.21 3men h ALA 40 Cb -0.07 0.36 -0.09 0.00 0.00 0.00 0.00 17.79 17.99 3men h ALA 40 CO -0.10 -0.94 0.62 0.74 0.00 0.00 0.00 179.25 179.56 3men h PHE 41 N -1.10 1.11 0.00 0.00 0.04 -1.10 -0.12 116.94 115.77 3men h PHE 41 Ca -0.10 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.71 3men h PHE 41 Cb 0.75 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 38.55 3men h PHE 41 CO -0.00 0.39 0.00 0.00 -0.60 0.00 0.00 178.31 178.10 3men n ALA 42 N -2.35 2.17 -0.27 2.45 0.00 0.39 -1.51 120.51 121.40 3men n ALA 42 Ca 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3men n ALA 42 Cb 0.41 -1.25 0.01 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.91 2.29 -1.96 0.00 2.81 -0.13 -5.00 117.12 114.22 3men n MET 43 Ca 0.11 -1.34 -0.11 0.00 -1.81 0.00 0.00 57.70 54.56 3men n MET 43 Cb 0.05 -0.91 -0.02 0.00 -0.71 0.00 0.00 33.22 31.63 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 -0.43 0.28 3.67 3.03 0.00 -0.57 -4.97 105.19 106.20 3men n GLY 44 Ca 0.01 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.50 3.43 -0.07 1.61 0.40 -0.74 -4.77 117.98 115.35 3men s PHE 45 Ca 0.00 1.28 -0.29 0.00 -0.60 0.00 0.00 56.93 57.32 3men s PHE 45 Cb 0.00 -3.03 -0.06 0.00 0.51 0.00 0.00 43.02 40.44 3men s PHE 45 CO 0.00 -0.24 1.84 -2.14 0.70 0.00 0.00 175.22 175.39 3men s PRO 46 N 2.13 3.97 -0.28 0.24 0.02 -1.26 -4.30 135.00 135.52 3men s PRO 46 Ca 0.39 2.25 -0.13 0.00 0.02 0.00 0.00 61.00 63.53 3men s PRO 46 Cb -0.17 -4.11 -0.04 0.00 0.02 0.00 0.00 34.50 30.20 3men s PRO 46 CO 0.13 -1.12 0.27 0.08 -0.33 0.00 0.00 177.00 176.02 3men s VAL 47 N 4.94 5.25 0.05 3.83 1.01 -1.26 -1.31 120.40 132.92 3men s VAL 47 Ca 0.82 0.32 0.06 0.00 0.00 0.00 0.00 61.98 63.18 3men s VAL 47 Cb -0.36 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 3men s VAL 47 CO 0.35 0.20 -0.17 -0.13 0.00 0.00 0.00 175.10 175.35 3men s ARG 48 N 1.89 1.11 0.24 2.72 0.52 0.87 -4.98 118.95 121.32 3men s ARG 48 Ca 0.10 -0.87 -0.30 0.00 -0.52 0.00 0.00 55.73 54.14 3men s ARG 48 Cb -0.16 -1.18 -0.09 0.00 0.52 0.00 0.00 34.95 34.04 3men s ARG 48 CO 0.11 0.29 1.07 -1.21 0.02 0.00 0.00 175.30 175.58 3men s GLU 49 N -1.26 4.67 0.37 3.54 2.02 -1.24 -1.30 118.70 125.51 3men s GLU 49 Ca 0.04 1.71 -0.25 0.00 0.02 0.00 0.00 54.97 56.50 3men s GLU 49 Cb -0.08 -3.23 -0.09 0.00 0.10 0.00 0.00 34.13 30.82 3men s GLU 49 CO 0.02 0.23 1.02 -1.25 0.02 0.00 0.00 175.26 175.30 3men s PRO 50 N -1.07 4.31 0.83 0.39 0.04 -1.26 -4.92 135.00 133.32 3men s PRO 50 Ca 0.45 1.45 -0.12 0.00 0.04 0.00 0.00 61.00 62.82 3men s PRO 50 Cb -0.30 -2.62 0.10 0.00 0.04 0.00 0.00 34.50 31.72 3men s PRO 50 CO 0.37 -0.00 1.18 -0.51 0.04 0.00 0.00 177.00 178.08 3men s ASP 51 N -1.59 3.45 -0.45 6.66 1.01 -1.26 -4.98 116.67 119.50 3men s ASP 51 Ca 0.55 2.29 -0.24 0.00 0.71 0.00 0.00 52.55 55.86 3men s ASP 51 Cb -0.21 -2.58 0.03 0.00 1.01 0.00 0.00 42.92 41.17 3men s ASP 51 CO 0.26 -2.76 0.85 -0.62 0.21 0.00 0.00 175.17 173.11 3men s ASP 52 N -2.36 6.46 0.00 0.27 -1.08 -1.26 -4.86 116.67 113.84 3men s ASP 52 Ca 0.71 0.01 0.21 0.00 -0.52 0.00 0.00 52.55 52.96 3men s ASP 52 Cb -0.26 -2.42 0.72 0.00 -1.46 0.00 0.00 42.92 39.50 3men s ASP 52 CO 0.53 -0.97 1.53 0.49 0.52 0.00 0.00 175.17 177.27 3men n PHE 53 N 6.92 0.23 -3.78 -5.34 3.72 -1.26 -5.06 117.46 112.89 3men n PHE 53 Ca 0.04 -0.11 0.01 0.00 -0.05 0.00 0.00 57.45 57.34 3men n PHE 53 Cb 0.48 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.02 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 1.16 -1.72 0.09 1.37 0.00 -1.26 -4.63 105.19 100.20 3men n GLY 54 Ca 0.16 -1.28 -0.01 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.02 1.25 -0.24 -0.61 0.13 -1.26 -4.38 119.36 113.23 3men n ILE 55 Ca 0.00 -0.71 0.05 0.00 -1.10 0.00 0.00 62.75 60.99 3men n ILE 55 Cb 0.04 -0.78 0.17 0.00 -0.84 0.00 0.00 39.64 38.23 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 1.36 0.91 0.00 1.51 0.00 -1.97 0.28 119.26 121.34 3men h ALA 56 Ca -0.19 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3men h ALA 56 Cb 1.65 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 3men h ALA 56 CO 0.05 -0.32 -0.32 -1.35 0.00 0.00 0.00 179.25 177.31 3men h PRO 57 N 0.28 0.00 -0.06 0.00 0.11 -1.82 0.29 132.00 130.80 3men h PRO 57 Ca 0.39 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 66.27 3men h PRO 57 Cb 0.65 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.77 3men h PRO 57 CO -0.48 0.32 -0.89 0.82 -0.21 0.00 0.00 178.00 177.56 3men h ILE 58 N 0.00 1.32 0.00 4.15 2.04 -1.28 -3.11 117.51 120.62 3men h ILE 58 Ca -0.00 -2.18 0.00 0.00 1.00 0.00 0.00 64.86 63.68 3men h ILE 58 Cb 0.60 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.89 3men h ILE 58 CO 0.04 0.67 0.00 0.00 0.00 0.00 0.00 178.15 178.86 3men n ALA 59 N -2.59 2.14 0.30 1.87 0.00 0.79 -1.50 120.51 121.53 3men n ALA 59 Ca -0.08 -0.09 0.18 0.00 0.00 0.00 0.00 53.44 53.45 3men n ALA 59 Cb 0.80 -1.39 0.78 0.00 0.00 0.00 0.00 19.45 19.64 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 2.92 1.00 0.00 0.00 0.00 -0.36 -3.35 119.26 119.47 3men h ALA 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3men h ALA 60 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3men h ALA 60 CO 0.00 0.00 -0.72 0.28 0.00 0.00 0.00 179.25 178.81 3men n VAL 61 N -2.98 0.00 -3.94 0.00 0.31 -1.08 -5.07 118.33 105.57 3men n VAL 61 Ca -0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.99 3men n VAL 61 Cb 0.24 -0.43 -0.05 0.00 -0.91 0.00 0.00 33.84 32.69 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 -1.72 3.51 0.25 3.52 4.02 -0.56 -4.74 115.29 119.57 3men s HIS 62 Ca 0.00 0.36 -0.31 0.00 1.02 0.00 0.00 55.06 56.13 3men s HIS 62 Cb 0.00 -1.83 -0.12 0.00 -1.02 0.00 0.00 32.58 29.61 3men s HIS 62 CO 0.00 0.64 1.67 -3.47 1.02 0.00 0.00 174.74 174.60 3men n ASP 63 N 1.15 3.95 0.19 1.40 -0.08 -0.69 -4.49 116.55 117.98 3men n ASP 63 Ca -0.13 1.10 0.04 0.00 -1.51 0.00 0.00 54.79 54.29 3men n ASP 63 Cb 0.53 -1.59 0.36 0.00 2.34 0.00 0.00 41.12 42.77 3men n ASP 63 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 3men h THR 64 N 3.59 1.11 -0.61 5.18 1.35 -1.91 -1.52 112.91 120.09 3men h THR 64 Ca -0.45 -1.40 0.07 0.00 -0.55 0.00 0.00 66.41 64.09 3men h THR 64 Cb 1.21 1.79 -0.06 0.00 -1.73 0.00 0.00 68.15 69.36 3men h THR 64 CO 0.88 0.38 0.28 0.45 -0.25 0.00 0.00 175.52 177.26 3men h HIS 65 N 0.00 0.51 -0.51 4.73 3.86 -1.98 -0.94 115.15 120.82 3men h HIS 65 Ca -0.00 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 3men h HIS 65 Cb 0.76 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 29.07 3men h HIS 65 CO 0.00 0.20 0.16 -0.92 0.86 0.00 0.00 177.93 178.23 3men h TYR 66 N 0.52 0.82 -0.39 2.45 3.20 -1.64 -1.61 116.97 120.32 3men h TYR 66 Ca 0.29 -0.08 -0.10 0.00 3.14 0.00 0.00 58.73 61.98 3men h TYR 66 Cb 0.28 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 3men h TYR 66 CO -0.12 0.71 -0.16 -0.07 -1.64 0.00 0.00 178.16 176.88 3men h LEU 67 N 0.70 0.81 -0.32 2.82 3.38 -1.02 0.17 115.31 121.85 3men h LEU 67 Ca 0.17 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3men h LEU 67 Cb 0.27 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3men h LEU 67 CO -0.01 1.02 0.21 0.03 0.09 0.00 0.00 178.44 179.79 3men h ARG 68 N 0.59 0.43 -0.34 1.13 3.08 -1.10 -1.54 114.38 116.63 3men h ARG 68 Ca 0.09 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.18 3men h ARG 68 Cb 0.70 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.59 3men h ARG 68 CO 0.05 0.29 -0.16 0.35 -1.07 0.00 0.00 179.97 179.43 3men h PHE 69 N 0.43 -0.38 -0.93 3.04 3.57 -1.02 -1.76 116.94 119.90 3men h PHE 69 Ca 0.12 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.68 3men h PHE 69 Cb -0.04 0.22 -0.05 0.00 2.79 0.00 0.00 35.95 38.86 3men h PHE 69 CO -0.05 -0.23 0.61 1.25 -2.23 0.00 0.00 178.31 177.66 3men h LEU 70 N -0.10 1.03 -0.99 0.59 5.85 -0.57 0.92 115.31 122.04 3men h LEU 70 Ca 0.17 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.78 3men h LEU 70 Cb 0.36 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3men h LEU 70 CO -0.40 0.72 -0.45 -0.08 -0.34 0.00 0.00 178.44 177.89 3men h GLU 71 N 1.20 0.00 0.00 1.25 4.81 -0.52 -3.35 114.58 117.98 3men h GLU 71 Ca 0.36 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 3men h GLU 71 Cb -0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.33 3men h GLU 71 CO -0.10 0.45 -0.25 0.25 -0.73 0.00 0.00 179.01 178.63 3men n THR 72 N -3.76 0.00 -0.09 0.32 -2.24 -0.74 -4.74 114.28 103.04 3men n THR 72 Ca -0.01 -0.37 -0.08 0.00 -2.27 0.00 0.00 64.05 61.32 3men n THR 72 Cb 0.51 1.00 0.08 0.00 -2.10 0.00 0.00 70.33 69.82 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 1.27 -0.53 2.28 3.04 -0.97 -1.57 116.25 119.76 3men h VAL 73 Ca 0.00 -1.35 0.03 0.00 -1.01 0.00 0.00 66.70 64.37 3men h VAL 73 Cb 0.13 1.22 -0.04 0.00 -2.01 0.00 0.00 31.29 30.59 3men h VAL 73 CO 0.00 0.45 0.31 -0.74 -1.01 0.00 0.00 177.57 176.58 3men h HIS 74 N 0.68 0.58 -0.07 3.17 6.17 -1.83 0.27 115.15 124.12 3men h HIS 74 Ca 0.09 0.02 -0.17 0.00 0.71 0.00 0.00 60.37 61.02 3men h HIS 74 Cb 0.75 -0.19 -0.01 0.00 2.52 0.00 0.00 27.41 30.48 3men h HIS 74 CO 0.04 0.33 -0.70 0.07 0.71 0.00 0.00 177.93 178.37 3men h ARG 75 N 0.62 0.34 -0.12 5.26 0.11 -1.81 -2.12 114.38 116.66 3men h ARG 75 Ca 0.22 -0.27 -0.05 0.00 0.10 0.00 0.00 59.98 59.98 3men h ARG 75 Cb 0.04 0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.17 3men h ARG 75 CO -0.11 0.91 -0.14 0.93 0.10 0.00 0.00 179.97 181.66 3men h GLU 76 N 0.23 0.19 0.00 0.08 4.39 -0.99 -2.70 114.58 115.79 3men h GLU 76 Ca -0.02 -0.04 -0.13 0.00 0.34 0.00 0.00 59.36 59.50 3men h GLU 76 Cb 1.26 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.86 3men h GLU 76 CO 0.12 0.34 -0.62 2.35 -1.16 0.00 0.00 179.01 180.04 3men h TRP 77 N 0.18 0.00 0.00 4.33 2.91 -0.67 -3.14 115.95 119.57 3men h TRP 77 Ca 0.04 0.00 -0.08 0.00 1.13 0.00 0.00 58.89 59.98 3men h TRP 77 Cb 0.37 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.00 3men h TRP 77 CO 0.00 0.62 -0.38 0.87 -1.03 0.00 0.00 178.44 178.53 3men h LYS 78 N 0.00 0.00 0.00 2.65 1.79 -1.06 -3.02 116.57 116.93 3men h LYS 78 Ca -0.01 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.41 3men h LYS 78 Cb 1.30 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.94 3men h LYS 78 CO 0.08 0.38 -0.24 0.00 -1.08 0.00 0.00 179.45 178.59 3men h ALA 79 N 1.62 1.12 -2.38 3.86 0.00 -1.47 -3.44 119.26 118.57 3men h ALA 79 Ca -0.00 -0.22 -0.45 0.00 0.00 0.00 0.00 54.91 54.23 3men h ALA 79 Cb 0.80 -0.04 0.14 0.00 0.00 0.00 0.00 17.79 18.69 3men h ALA 79 CO 0.05 0.30 0.32 -1.64 0.00 0.00 0.00 179.25 178.28 3men s MET 80 N -3.85 0.91 0.77 0.00 1.00 -1.14 -5.00 119.30 111.99 3men s MET 80 Ca -0.01 0.10 -0.15 0.00 0.00 0.00 0.00 55.69 55.63 3men s MET 80 Cb 0.12 -1.83 0.04 0.00 0.00 0.00 0.00 34.83 33.16 3men s MET 80 CO 0.64 -2.31 1.06 -2.30 0.00 0.00 0.00 175.02 172.11 3men n PRO 81 N -3.81 0.34 0.18 2.03 -0.02 -1.26 -4.81 135.00 127.65 3men n PRO 81 Ca 0.09 0.18 0.10 0.00 -2.02 0.00 0.00 63.50 61.86 3men n PRO 81 Cb 0.60 -2.32 0.56 0.00 -0.02 0.00 0.00 33.50 32.31 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 -0.59 0.00 0.00 -0.52 9.09 -1.91 -1.61 114.58 119.03 3men h GLU 82 Ca -0.47 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 58.91 3men h GLU 82 Cb 1.31 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.41 3men h GLU 82 CO 0.46 0.00 -0.14 0.22 0.05 0.00 0.00 179.01 179.60 3men h ASP 83 N 0.00 0.00 0.47 3.06 3.58 -1.99 -2.77 116.42 118.78 3men h ASP 83 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3men h ASP 83 Cb 0.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.25 3men h ASP 83 CO 0.00 0.14 -0.06 0.79 -2.88 0.00 0.00 179.24 177.23 3men n TRP 84 N -3.33 0.00 -1.16 0.28 7.02 -0.61 -5.05 117.44 114.59 3men n TRP 84 Ca -0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 3men n TRP 84 Cb 0.36 -0.24 0.00 0.00 -2.42 0.00 0.00 31.31 29.01 3men n TRP 84 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3men n GLY 85 N 1.28 -2.40 0.00 6.99 0.00 -1.05 -4.67 105.19 105.36 3men n GLY 85 Ca 0.14 -1.59 0.10 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.27 0.76 -4.18 1.61 2.03 -1.26 -4.85 116.55 110.40 3men n ASP 86 Ca 0.00 -0.72 -0.33 0.00 0.52 0.00 0.00 54.79 54.25 3men n ASP 86 Cb 0.00 1.14 -0.16 0.00 -0.72 0.00 0.00 41.12 41.38 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 -3.11 3.09 0.19 -0.67 2.02 -1.26 -4.68 118.70 114.29 3men s GLU 87 Ca 0.05 -0.78 -0.32 0.00 0.02 0.00 0.00 54.97 53.94 3men s GLU 87 Cb 0.16 -2.67 -0.12 0.00 0.10 0.00 0.00 34.13 31.61 3men s GLU 87 CO 0.86 -0.18 1.71 0.00 0.02 0.00 0.00 175.26 177.67 3men s ALA 88 N 1.27 3.90 0.04 5.21 0.00 -0.71 -4.75 121.76 126.72 3men s ALA 88 Ca 0.04 1.55 -0.03 0.00 0.00 0.00 0.00 51.96 53.52 3men s ALA 88 Cb -0.14 -3.69 -0.02 0.00 0.00 0.00 0.00 23.12 19.27 3men s ALA 88 CO -0.09 -0.93 0.02 -1.64 0.00 0.00 0.00 175.76 173.12 3men s MET 89 N 1.31 0.54 0.13 0.00 1.00 -1.26 -1.36 119.30 119.66 3men s MET 89 Ca 0.75 -0.91 -0.15 0.00 0.00 0.00 0.00 55.69 55.38 3men s MET 89 Cb -0.49 0.20 -0.07 0.00 0.00 0.00 0.00 34.83 34.48 3men s MET 89 CO 0.32 -0.12 0.54 0.45 0.00 0.00 0.00 175.02 176.22 3men s SER 90 N -2.31 6.84 0.00 3.03 0.15 -1.26 -4.95 113.70 115.20 3men s SER 90 Ca -0.02 1.08 0.00 0.00 0.70 0.00 0.00 55.95 57.71 3men s SER 90 Cb 0.01 -2.29 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 3men s SER 90 CO -0.06 0.13 0.72 -0.46 1.20 0.00 0.00 173.24 174.78 3men n ASN 91 N 0.95 1.08 -4.05 5.45 6.94 -1.26 -4.95 115.26 119.42 3men n ASN 91 Ca -0.06 -1.50 -0.31 0.00 -0.02 0.00 0.00 54.58 52.68 3men n ASN 91 Cb 0.52 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.78 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 -0.50 1.82 -0.97 1.53 1.09 -1.26 -5.06 121.20 117.85 3men s ILE 92 Ca 0.00 -0.97 -0.01 0.00 -1.10 0.00 0.00 60.65 58.57 3men s ILE 92 Cb 0.00 -1.77 0.33 0.00 -1.06 0.00 0.00 42.46 39.96 3men s ILE 92 CO 0.00 0.33 1.80 0.49 -0.10 0.00 0.00 174.94 177.46 3men n PHE 93 N 4.66 2.88 -3.81 3.97 3.72 -1.26 -4.31 117.46 123.30 3men n PHE 93 Ca -0.17 -2.61 -0.27 0.00 -0.05 0.00 0.00 57.45 54.35 3men n PHE 93 Cb 0.48 -1.15 -0.17 0.00 -0.94 0.00 0.00 39.48 37.71 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 -4.48 0.77 -0.01 -4.37 1.01 -1.26 -4.97 120.40 107.09 3men s VAL 94 Ca 0.42 -0.50 0.08 0.00 0.00 0.00 0.00 61.98 61.97 3men s VAL 94 Cb 0.24 -1.08 -0.24 0.00 0.00 0.00 0.00 36.38 35.30 3men s VAL 94 CO -0.18 0.00 0.78 0.08 0.00 0.00 0.00 175.10 175.78 3men h ARG 95 N 8.20 0.06 -2.67 2.72 -0.00 -1.89 -3.35 114.38 117.44 3men h ARG 95 Ca -0.20 -0.10 -0.11 0.00 -0.00 0.00 0.00 59.98 59.57 3men h ARG 95 Cb 1.11 0.04 -0.24 0.00 -0.00 0.00 0.00 29.97 30.88 3men h ARG 95 CO 0.35 0.74 -0.22 -1.83 -0.00 0.00 0.00 179.97 179.01 3men s GLU 96 N -2.62 0.50 0.53 0.08 1.03 -1.26 -4.18 118.70 112.77 3men s GLU 96 Ca -0.06 0.63 -0.19 0.00 0.03 0.00 0.00 54.97 55.39 3men s GLU 96 Cb 0.08 0.21 -0.07 0.00 -0.80 0.00 0.00 34.13 33.56 3men s GLU 96 CO 0.82 -0.07 1.06 -1.25 -1.33 0.00 0.00 175.26 174.49 3men s PRO 97 N 0.38 3.59 -0.30 -4.83 0.04 -1.26 -5.17 135.00 127.45 3men s PRO 97 Ca -0.01 1.35 -0.06 0.00 0.04 0.00 0.00 61.00 62.32 3men s PRO 97 Cb -0.04 -2.06 0.16 0.00 0.04 0.00 0.00 34.50 32.60 3men s PRO 97 CO -0.01 -0.60 0.62 1.21 0.04 0.00 0.00 177.00 178.26 3men s ASN 98 N -2.20 -1.23 0.00 6.66 3.84 -1.26 -5.02 114.94 115.73 3men s ASN 98 Ca 0.67 1.24 0.18 0.00 0.21 0.00 0.00 52.86 55.16 3men s ASN 98 Cb -0.17 2.22 0.93 0.00 -0.55 0.00 0.00 41.25 43.68 3men s ASN 98 CO 0.26 -0.24 1.54 0.00 -2.79 0.00 0.00 177.10 175.87 3men n ALA 99 N 5.44 1.99 -3.44 1.71 0.00 -1.26 -4.89 120.51 120.06 3men n ALA 99 Ca -0.07 -0.09 -0.23 0.00 0.00 0.00 0.00 53.44 53.05 3men n ALA 99 Cb 0.50 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.64 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 -1.26 -1.16 -4.43 0.00 4.77 -1.26 -4.97 117.00 108.70 3men n LEU 100 Ca 0.09 -0.41 -0.42 0.00 -0.03 0.00 0.00 56.01 55.25 3men n LEU 100 Cb 0.14 -1.85 -0.11 0.00 -2.33 0.00 0.00 43.42 39.27 3men n LEU 100 CO 0.13 0.12 -0.12 -0.13 -1.33 0.00 0.00 177.39 176.07 3men s ARG 101 N -6.08 2.94 0.00 3.23 0.52 -1.26 -4.79 118.95 113.52 3men s ARG 101 Ca 0.42 -1.02 0.00 0.00 -0.52 0.00 0.00 55.73 54.61 3men s ARG 101 Cb -0.23 -3.85 0.00 0.00 0.52 0.00 0.00 34.95 31.39 3men s ARG 101 CO 0.51 -0.70 0.00 0.41 0.02 0.00 0.00 175.30 175.54 3men n GLY 102 N 5.08 2.40 0.23 -3.53 0.00 -1.26 -4.56 105.19 103.55 3men n GLY 102 Ca -0.11 -1.79 0.09 0.00 0.00 0.00 0.00 46.02 44.21 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 0.70 -0.31 1.61 3.04 -1.94 -2.31 116.25 117.04 3men h VAL 103 Ca 0.00 -0.96 -0.15 0.00 -1.01 0.00 0.00 66.70 64.58 3men h VAL 103 Cb 0.00 1.61 -0.00 0.00 -2.01 0.00 0.00 31.29 30.89 3men h VAL 103 CO 0.00 0.22 -0.38 0.25 -1.01 0.00 0.00 177.57 176.65 3men h LEU 104 N 0.00 0.87 -0.92 3.16 5.85 -1.98 -0.38 115.31 121.90 3men h LEU 104 Ca -0.00 -0.49 -0.11 0.00 0.84 0.00 0.00 57.88 58.12 3men h LEU 104 Cb 0.59 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3men h LEU 104 CO 0.03 1.19 -0.39 0.00 -0.34 0.00 0.00 178.44 178.92 3men h ALA 105 N 0.70 1.08 -0.15 1.25 0.00 -1.72 -1.05 119.26 119.38 3men h ALA 105 Ca 0.04 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 3men h ALA 105 Cb 0.97 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3men h ALA 105 CO 0.09 0.59 0.02 1.96 0.00 0.00 0.00 179.25 181.91 3men h GLN 106 N 0.25 0.25 -0.58 0.00 1.08 -1.24 -2.01 115.11 112.87 3men h GLN 106 Ca 0.03 -0.07 0.08 0.00 -1.45 0.00 0.00 58.65 57.23 3men h GLN 106 Cb 0.81 -0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 28.15 3men h GLN 106 CO 0.06 0.45 0.25 0.00 -0.95 0.00 0.00 178.83 178.64 3men h ALA 107 N 0.79 0.75 -0.90 3.87 0.00 -0.99 -0.32 119.26 122.47 3men h ALA 107 Ca 0.04 0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.18 3men h ALA 107 Cb 0.32 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 3men h ALA 107 CO 0.00 -0.14 0.58 0.00 0.00 0.00 0.00 179.25 179.69 3men h ALA 108 N 1.37 1.93 0.18 0.00 0.00 -0.79 -1.45 119.26 120.50 3men h ALA 108 Ca 0.28 0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.92 3men h ALA 108 Cb 0.29 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.00 3men h ALA 108 CO -0.25 -0.20 -1.40 -0.09 0.00 0.00 0.00 179.25 177.31 3men h ARG 109 N 0.60 0.37 -0.01 0.00 9.65 -0.65 -3.37 114.38 120.97 3men h ARG 109 Ca 0.46 -0.63 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 3men h ARG 109 Cb 0.87 0.24 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 3men h ARG 109 CO -0.21 1.30 -0.46 0.72 2.80 0.00 0.00 179.97 184.12 3men n HIS 110 N -3.83 0.00 -3.92 2.20 8.25 -0.20 -4.78 115.22 112.94 3men n HIS 110 Ca -0.21 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 56.91 3men n HIS 110 Cb 0.98 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.96 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 -2.37 4.19 0.00 2.41 1.43 -0.57 -0.98 118.68 122.80 3men s LEU 111 Ca 0.16 -1.54 0.28 0.00 -1.03 0.00 0.00 54.13 52.00 3men s LEU 111 Cb 0.16 -1.70 1.11 0.00 0.03 0.00 0.00 46.19 45.80 3men s LEU 111 CO 0.53 -0.32 1.81 0.00 0.23 0.00 0.00 176.35 178.60 3men n ALA 112 N 4.54 2.77 -3.46 4.21 0.00 -0.53 -4.80 120.51 123.24 3men n ALA 112 Ca -0.09 -0.23 0.01 0.00 0.00 0.00 0.00 53.44 53.14 3men n ALA 112 Cb 0.43 -1.34 0.01 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.24 -1.16 -0.63 0.00 5.68 -1.26 -5.02 116.55 112.92 3men n ASP 113 Ca 0.11 -1.74 0.07 0.00 -0.50 0.00 0.00 54.79 52.72 3men n ASP 113 Cb 0.30 1.92 0.21 0.00 -1.14 0.00 0.00 41.12 42.41 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 -0.33 0.56 1.12 6.12 0.00 -1.26 -3.97 105.19 107.43 3men n GLY 114 Ca -0.04 -0.39 0.08 0.00 0.00 0.00 0.00 46.02 45.67 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 0.48 4.13 -2.60 1.61 7.64 -1.26 -1.47 113.62 122.15 3men n SER 115 Ca 0.13 -2.69 -0.19 0.00 1.01 0.00 0.00 58.87 57.13 3men n SER 115 Cb 0.30 -0.51 0.01 0.00 -1.01 0.00 0.00 64.21 63.01 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 -0.26 2.15 -3.54 0.00 -0.04 -1.26 -4.90 135.00 127.15 3men n PRO 117 Ca 0.25 0.77 -0.41 0.00 -0.04 0.00 0.00 63.50 64.06 3men n PRO 117 Cb 0.72 -2.43 -0.09 0.00 -0.04 0.00 0.00 33.50 31.66 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 -0.20 4.44 0.16 0.52 1.01 -0.46 -4.95 120.40 120.92 3men s VAL 118 Ca 0.66 -1.46 0.01 0.00 0.00 0.00 0.00 61.98 61.19 3men s VAL 118 Cb -0.61 -3.77 0.03 0.00 0.00 0.00 0.00 36.38 32.03 3men s VAL 118 CO 0.51 -0.61 0.21 0.61 0.00 0.00 0.00 175.10 175.82 3men n GLY 119 N 4.98 1.27 0.17 4.51 0.00 -1.26 -1.74 105.19 113.12 3men n GLY 119 Ca -0.10 -2.05 -0.05 0.00 0.00 0.00 0.00 46.02 43.82 3men n GLY 119 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3men h GLU 120 N 0.00 0.17 -0.51 1.61 5.08 -1.96 -2.86 114.58 116.10 3men h GLU 120 Ca -0.07 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3men h GLU 120 Cb 0.29 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3men h GLU 120 CO 0.09 0.11 0.00 0.72 -1.00 0.00 0.00 179.01 178.93 3men n HIS 121 N -5.13 1.67 -0.03 4.33 8.25 -1.26 -4.63 115.22 118.41 3men n HIS 121 Ca 0.02 -0.73 -0.13 0.00 -0.26 0.00 0.00 57.72 56.62 3men n HIS 121 Cb 0.19 -0.40 -0.09 0.00 1.12 0.00 0.00 29.99 30.80 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 3.46 1.40 -0.06 1.59 2.02 -1.83 -1.63 112.91 117.86 3men h THR 122 Ca 0.00 -1.34 0.03 0.00 0.77 0.00 0.00 66.41 65.87 3men h THR 122 Cb 1.73 2.16 -0.03 0.00 -1.74 0.00 0.00 68.15 70.26 3men h THR 122 CO 0.37 0.37 -0.14 -0.25 0.37 0.00 0.00 175.52 176.24 3men h TRP 123 N -0.31 -0.35 -0.50 3.16 2.91 -1.82 0.41 115.95 119.46 3men h TRP 123 Ca 0.01 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.01 3men h TRP 123 Cb 0.64 0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 29.43 3men h TRP 123 CO 0.11 -0.20 0.18 -0.09 -1.03 0.00 0.00 178.44 177.40 3men h ARG 124 N -0.20 0.76 -0.36 2.65 2.43 -1.87 0.12 114.38 117.91 3men h ARG 124 Ca 0.07 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 3men h ARG 124 Cb 0.29 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3men h ARG 124 CO -0.17 0.69 0.12 0.00 -1.51 0.00 0.00 179.97 179.09 3men h ALA 125 N 1.03 0.47 -0.29 2.80 0.00 -1.15 -2.51 119.26 119.61 3men h ALA 125 Ca 0.16 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3men h ALA 125 Cb 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3men h ALA 125 CO -0.01 0.10 0.08 0.00 0.00 0.00 0.00 179.25 179.42 3men h ALA 126 N 0.96 0.39 -0.37 0.00 0.00 -0.28 0.11 119.26 120.06 3men h ALA 126 Ca 0.12 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.94 3men h ALA 126 Cb 0.24 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.83 3men h ALA 126 CO -0.00 0.04 -0.32 -0.92 0.00 0.00 0.00 179.25 178.04 3men h TYR 127 N 0.31 -0.89 -0.00 0.00 3.20 -0.83 -0.54 116.97 118.22 3men h TYR 127 Ca 0.09 0.06 -0.13 0.00 3.14 0.00 0.00 58.73 61.89 3men h TYR 127 Cb 0.28 0.45 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 3men h TYR 127 CO 0.01 -0.38 -0.63 -1.49 -1.64 0.00 0.00 178.16 174.04 3men h TRP 128 N -0.26 0.00 -0.14 -3.82 4.06 -1.08 -2.17 115.95 112.54 3men h TRP 128 Ca 0.16 -0.00 0.02 0.00 2.06 0.00 0.00 58.89 61.14 3men h TRP 128 Cb 0.54 -0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.67 3men h TRP 128 CO -0.52 0.63 0.01 1.03 -3.56 0.00 0.00 178.44 176.02 3men h SER 129 N 0.00 -0.03 -0.85 -3.49 0.87 -0.42 -1.81 113.55 107.81 3men h SER 129 Ca -0.01 0.03 0.12 0.00 -1.23 0.00 0.00 61.79 60.70 3men h SER 129 Cb 1.11 0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 63.05 3men h SER 129 CO 0.08 0.00 0.55 0.00 -0.53 0.00 0.00 176.83 176.94 3men h ALA 130 N 1.11 1.78 -0.43 6.23 0.00 -0.72 -2.53 119.26 124.70 3men h ALA 130 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3men h ALA 130 Cb 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3men h ALA 130 CO -0.10 0.02 -0.14 1.96 0.00 0.00 0.00 179.25 180.99 3men h GLN 131 N 0.74 0.80 -0.73 0.00 1.08 -0.77 -1.95 115.11 114.28 3men h GLN 131 Ca 0.41 -0.28 0.04 0.00 -1.45 0.00 0.00 58.65 57.36 3men h GLN 131 Cb 0.57 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.89 3men h GLN 131 CO -0.18 0.90 0.45 0.77 -0.95 0.00 0.00 178.83 179.82 3men h SER 132 N 0.72 0.73 -0.79 1.46 0.02 -0.93 0.21 113.55 114.97 3men h SER 132 Ca 0.11 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 3men h SER 132 Cb 0.64 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.99 3men h SER 132 CO 0.04 0.50 0.42 0.00 -1.14 0.00 0.00 176.83 176.65 3men h ALA 133 N 1.32 1.01 -0.68 3.77 0.00 -1.22 -2.05 119.26 121.41 3men h ALA 133 Ca 0.30 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3men h ALA 133 Cb 0.06 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3men h ALA 133 CO -0.13 0.53 0.15 -0.07 0.00 0.00 0.00 179.25 179.74 3men h LEU 134 N 1.09 1.03 -0.39 0.00 3.38 -0.59 -0.46 115.31 119.38 3men h LEU 134 Ca 0.28 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3men h LEU 134 Cb 0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3men h LEU 134 CO -0.04 1.00 0.18 0.00 0.09 0.00 0.00 178.44 179.66 3men h ALA 135 N 1.13 0.50 -0.52 1.53 0.00 -0.45 0.21 119.26 121.66 3men h ALA 135 Ca 0.21 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3men h ALA 135 Cb 0.38 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3men h ALA 135 CO 0.00 0.08 0.17 0.00 0.00 0.00 0.00 179.25 179.50 3men h ALA 136 N 1.02 0.68 -0.53 0.00 0.00 -1.17 -0.59 119.26 118.68 3men h ALA 136 Ca 0.13 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.94 3men h ALA 136 Cb 0.14 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 3men h ALA 136 CO -0.01 0.34 0.14 0.00 0.00 0.00 0.00 179.25 179.71 3men h ALA 137 N 1.03 0.62 -0.53 0.00 0.00 -0.76 -2.25 119.26 117.37 3men h ALA 137 Ca 0.17 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 3men h ALA 137 Cb 0.27 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3men h ALA 137 CO -0.01 -0.27 0.09 0.00 0.00 0.00 0.00 179.25 179.07 3men h ALA 138 N 1.39 0.71 -0.43 0.00 0.00 0.31 -0.12 119.26 121.11 3men h ALA 138 Ca 0.26 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3men h ALA 138 Cb 0.34 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3men h ALA 138 CO -0.31 0.44 0.22 0.00 0.00 0.00 0.00 179.25 179.60 3men h ALA 139 N 0.99 0.55 -0.41 0.00 0.00 -1.04 -1.14 119.26 118.20 3men h ALA 139 Ca 0.16 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3men h ALA 139 Cb 0.40 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3men h ALA 139 CO 0.01 0.09 0.11 0.28 0.00 0.00 0.00 179.25 179.74 3men h VAL 140 N 0.55 1.23 -0.82 0.00 2.07 -1.29 -1.84 116.25 116.15 3men h VAL 140 Ca 0.15 -0.78 0.20 0.00 0.82 0.00 0.00 66.70 67.09 3men h VAL 140 Cb 0.09 0.95 -0.13 0.00 -1.52 0.00 0.00 31.29 30.67 3men h VAL 140 CO -0.02 0.27 0.20 -0.09 0.02 0.00 0.00 177.57 177.95 3men h ARG 141 N 0.53 0.22 -0.55 1.57 2.43 -0.74 -2.65 114.38 115.19 3men h ARG 141 Ca 0.13 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3men h ARG 141 Cb 0.30 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3men h ARG 141 CO 0.00 0.15 0.00 -0.25 -1.51 0.00 0.00 179.97 178.36 3men n ASP 142 N -5.21 2.77 0.00 -3.80 8.00 -0.46 -4.88 116.55 112.98 3men n ASP 142 Ca 0.18 -2.20 0.00 0.00 0.71 0.00 0.00 54.79 53.49 3men n ASP 142 Cb 0.58 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 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 0.86 1.71 3.73 0.44 0.00 -1.00 -5.05 105.19 105.88 3men n GLY 143 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.67 3.65 0.13 4.61 0.00 -0.73 -4.88 121.76 122.87 3men s ALA 144 Ca 0.00 1.28 0.24 0.00 0.00 0.00 0.00 51.96 53.48 3men s ALA 144 Cb 0.00 -3.56 0.95 0.00 0.00 0.00 0.00 23.12 20.50 3men s ALA 144 CO 0.00 -0.71 1.84 -1.00 0.00 0.00 0.00 175.76 175.89 3men h PRO 145 N 5.91 0.00 -2.58 0.00 0.13 -1.89 -3.38 132.00 130.20 3men h PRO 145 Ca -0.44 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.64 3men h PRO 145 Cb 1.21 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.18 3men h PRO 145 CO 0.83 0.21 0.14 0.00 -0.23 0.00 0.00 178.00 178.95 3men s ALA 146 N -3.66 -1.55 0.00 -0.56 0.00 -1.26 -2.14 121.76 112.59 3men s ALA 146 Ca 0.01 0.81 -0.16 0.00 0.00 0.00 0.00 51.96 52.62 3men s ALA 146 Cb 0.10 0.40 0.03 0.00 0.00 0.00 0.00 23.12 23.64 3men s ALA 146 CO 0.63 -0.53 0.34 0.00 0.00 0.00 0.00 175.76 176.20 3men s ALA 147 N -2.38 -0.84 -0.21 0.00 0.00 -1.03 -4.35 121.76 112.95 3men s ALA 147 Ca -0.05 0.31 -0.01 0.00 0.00 0.00 0.00 51.96 52.21 3men s ALA 147 Cb -0.01 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.27 3men s ALA 147 CO -0.01 -0.31 -0.12 -0.47 0.00 0.00 0.00 175.76 174.84 3men s TYR 148 N -1.66 2.91 -0.57 0.00 5.04 -0.17 -1.44 117.35 121.46 3men s TYR 148 Ca -0.11 -1.45 -0.19 0.00 -2.44 0.00 0.00 57.07 52.88 3men s TYR 148 Cb -0.04 -2.00 0.09 0.00 0.35 0.00 0.00 41.96 40.36 3men s TYR 148 CO 0.03 -0.72 0.68 0.00 -1.34 0.00 0.00 175.55 174.19 3men s ALA 149 N 1.34 3.41 -1.30 3.97 0.00 0.86 -1.31 121.76 128.73 3men s ALA 149 Ca 0.04 -2.10 -0.17 0.00 0.00 0.00 0.00 51.96 49.73 3men s ALA 149 Cb -0.14 -3.48 0.02 0.00 0.00 0.00 0.00 23.12 19.52 3men s ALA 149 CO -0.08 -2.26 1.99 -0.11 0.00 0.00 0.00 175.76 175.30 3men n LEU 150 N 6.28 5.52 -4.77 0.00 0.00 -0.69 -1.85 117.00 121.48 3men n LEU 150 Ca -0.09 -3.84 -0.38 0.00 0.00 0.00 0.00 56.01 51.71 3men n LEU 150 Cb 0.43 -1.64 -0.05 0.00 0.00 0.00 0.00 43.42 42.16 3men n LEU 150 CO 0.57 0.34 0.72 0.00 0.00 0.00 0.00 177.39 179.02 3men s ARG 152 N -2.04 0.14 0.81 0.00 3.00 -1.26 -4.60 118.95 114.99 3men s ARG 152 Ca 0.52 0.32 -0.11 0.00 -1.00 0.00 0.00 55.73 55.46 3men s ARG 152 Cb -0.24 0.19 0.08 0.00 0.00 0.00 0.00 34.95 34.99 3men s ARG 152 CO 0.30 -0.07 1.11 -1.25 0.00 0.00 0.00 175.30 175.39 3men s PRO 153 N 2.39 1.88 1.22 5.12 0.04 -1.26 -4.59 135.00 139.81 3men s PRO 153 Ca -0.01 1.31 -0.20 0.00 0.04 0.00 0.00 61.00 62.14 3men s PRO 153 Cb -0.04 -1.84 0.29 0.00 0.04 0.00 0.00 34.50 32.95 3men s PRO 153 CO -0.15 -1.95 1.10 -1.25 0.04 0.00 0.00 177.00 174.79 3men s PRO 154 N -4.76 -1.38 0.00 0.56 0.04 -1.26 -4.90 135.00 123.29 3men s PRO 154 Ca 0.64 -0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.60 3men s PRO 154 Cb -0.19 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.77 3men s PRO 154 CO 0.56 -3.81 0.00 0.41 0.04 0.00 0.00 177.00 174.19 3men n GLY 155 N -0.82 0.00 0.16 0.56 0.00 -1.26 -3.80 105.19 100.03 3men n GLY 155 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.28 3men n GLY 155 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3men h HIS 156 N 0.00 0.00 -0.02 1.61 2.07 -1.94 -1.74 115.15 115.14 3men h HIS 156 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3men h HIS 156 Cb 0.39 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.37 3men h HIS 156 CO 0.00 0.00 -0.15 0.72 -3.07 0.00 0.00 177.93 175.43 3men n HIS 157 N -2.38 0.00 -2.31 6.12 8.25 -1.26 -1.43 115.22 122.20 3men n HIS 157 Ca 0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.05 3men n HIS 157 Cb 0.23 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.28 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 -2.23 3.65 0.79 -1.41 0.00 -0.65 -4.14 121.76 117.76 3men s ALA 158 Ca 0.29 0.59 -0.09 0.00 0.00 0.00 0.00 51.96 52.76 3men s ALA 158 Cb 0.20 -3.65 0.11 0.00 0.00 0.00 0.00 23.12 19.77 3men s ALA 158 CO 0.42 -1.23 1.11 1.03 0.00 0.00 0.00 175.76 177.10 3men s ARG 159 N 3.61 1.69 0.31 0.00 0.52 0.84 -4.33 118.95 121.59 3men s ARG 159 Ca 0.60 -0.39 0.07 0.00 -0.52 0.00 0.00 55.73 55.49 3men s ARG 159 Cb -0.25 -2.09 0.85 0.00 0.52 0.00 0.00 34.95 33.98 3men s ARG 159 CO 0.19 -1.62 1.68 0.28 0.02 0.00 0.00 175.30 175.86 3men h VAL 160 N -0.91 0.41 0.00 3.52 2.07 -1.85 -3.19 116.25 116.30 3men h VAL 160 Ca -0.43 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.96 3men h VAL 160 Cb 1.29 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3men h VAL 160 CO 0.52 0.07 -0.13 -0.67 0.02 0.00 0.00 177.57 177.37 3men n ASP 161 N -5.06 1.19 -3.63 0.57 2.03 -1.26 -1.71 116.55 108.68 3men n ASP 161 Ca 0.25 -2.15 -0.12 0.00 0.52 0.00 0.00 54.79 53.30 3men n ASP 161 Cb 0.76 -0.19 -0.07 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 -1.13 -1.86 0.76 -1.67 0.00 -1.21 -4.45 121.76 112.20 3men s ALA 162 Ca 0.10 2.02 -0.11 0.00 0.00 0.00 0.00 51.96 53.97 3men s ALA 162 Cb 0.09 -1.29 0.04 0.00 0.00 0.00 0.00 23.12 21.96 3men s ALA 162 CO 0.01 -0.31 1.08 0.00 0.00 0.00 0.00 175.76 176.53 3men s ALA 163 N 0.47 2.39 -0.28 0.00 0.00 -0.15 -0.11 121.76 124.07 3men s ALA 163 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 51.96 51.61 3men s ALA 163 Cb -0.05 -3.17 0.17 0.00 0.00 0.00 0.00 23.12 20.07 3men s ALA 163 CO -0.03 -1.55 1.37 0.20 0.00 0.00 0.00 175.76 175.74 3men s GLY 164 N -3.75 -0.11 -1.26 0.00 0.00 -0.75 -1.46 107.32 99.99 3men s GLY 164 Ca 0.60 2.21 -0.14 0.00 0.00 0.00 0.00 44.72 47.39 3men s GLY 164 CO 0.55 0.79 0.62 0.61 0.00 0.00 0.00 173.10 175.66 3men n GLY 165 N 0.16 -0.64 3.23 0.20 0.00 -1.26 -0.79 105.19 106.08 3men n GLY 165 Ca 0.03 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 -4.38 0.00 -4.70 1.61 3.72 0.36 -4.82 117.46 109.25 3men n PHE 166 Ca -0.19 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 56.89 3men n PHE 166 Cb 0.63 -1.02 -0.12 0.00 -0.94 0.00 0.00 39.48 38.02 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 1.81 0.00 -4.58 0.00 4.01 -1.25 -1.81 117.16 115.34 3men n TYR 168 Ca -0.16 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.35 3men n TYR 168 Cb 0.52 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.39 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 -4.65 1.83 -1.30 7.72 1.43 -1.26 -4.65 118.68 117.79 3men s LEU 169 Ca 0.00 -0.26 -0.17 0.00 -1.03 0.00 0.00 54.13 52.67 3men s LEU 169 Cb 0.00 -0.73 0.08 0.00 0.03 0.00 0.00 46.19 45.57 3men s LEU 169 CO 0.00 0.10 1.74 -3.20 0.23 0.00 0.00 176.35 175.22 3men n ASN 170 N 3.26 4.90 -0.28 2.29 2.85 -1.25 -4.28 115.26 122.75 3men n ASN 170 Ca -0.18 -2.92 -0.03 0.00 -0.11 0.00 0.00 54.58 51.33 3men n ASN 170 Cb 0.54 -1.72 0.03 0.00 1.24 0.00 0.00 39.78 39.87 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 7.37 -1.23 -0.33 1.20 2.35 -1.89 -0.43 115.58 122.62 3men h ASN 171 Ca 0.44 0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 56.45 3men h ASN 171 Cb 0.85 0.64 -0.02 0.00 0.05 0.00 0.00 38.32 39.84 3men h ASN 171 CO 1.47 -0.30 0.21 0.00 -1.65 0.00 0.00 177.43 177.16 3men h ALA 172 N 1.22 0.42 -0.81 -0.83 0.00 -1.89 -1.31 119.26 116.07 3men h ALA 172 Ca 0.29 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3men h ALA 172 Cb 0.57 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3men h ALA 172 CO -0.81 -0.09 0.47 0.00 0.00 0.00 0.00 179.25 178.81 3men h ALA 173 N 1.10 1.31 -0.30 0.00 0.00 -1.77 0.05 119.26 119.64 3men h ALA 173 Ca 0.12 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3men h ALA 173 Cb -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3men h ALA 173 CO -0.02 0.58 0.04 0.82 0.00 0.00 0.00 179.25 180.67 3men h ILE 174 N 1.12 1.24 -0.29 0.00 2.04 -0.67 -0.93 117.51 120.02 3men h ILE 174 Ca 0.29 -0.82 0.02 0.00 1.00 0.00 0.00 64.86 65.35 3men h ILE 174 Cb -0.02 1.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3men h ILE 174 CO -0.05 0.27 0.15 0.00 0.00 0.00 0.00 178.15 178.51 3men h ALA 175 N 0.87 0.36 -0.28 1.87 0.00 -1.05 -0.21 119.26 120.81 3men h ALA 175 Ca 0.09 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3men h ALA 175 Cb 0.35 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3men h ALA 175 CO 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.02 3men h ALA 176 N 1.15 0.25 -0.57 0.00 0.00 -0.77 -0.23 119.26 119.09 3men h ALA 176 Ca 0.12 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3men h ALA 176 Cb 0.03 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3men h ALA 176 CO -0.08 -0.41 0.08 0.37 0.00 0.00 0.00 179.25 179.21 3men h GLN 177 N 0.09 0.92 -0.53 0.00 5.75 -1.01 -2.50 115.11 117.84 3men h GLN 177 Ca 0.14 -0.23 -0.07 0.00 -0.15 0.00 0.00 58.65 58.33 3men h GLN 177 Cb 0.18 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.58 3men h GLN 177 CO -0.22 0.87 0.04 0.00 -2.65 0.00 0.00 178.83 176.86 3men h ALA 178 N 1.21 1.07 -0.01 3.38 0.00 -0.44 -2.93 119.26 121.54 3men h ALA 178 Ca 0.18 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3men h ALA 178 Cb 0.40 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3men h ALA 178 CO 0.01 0.59 -0.17 -0.07 0.00 0.00 0.00 179.25 179.61 3men h LEU 179 N 0.82 0.02 -1.50 0.00 3.38 -0.63 -2.92 115.31 114.47 3men h LEU 179 Ca 0.16 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3men h LEU 179 Cb 0.43 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3men h LEU 179 CO 0.02 0.19 0.00 0.03 0.09 0.00 0.00 178.44 178.77 3men h ARG 180 N 0.02 0.00 -0.90 1.13 2.47 -1.27 -1.96 114.38 113.86 3men h ARG 180 Ca 0.00 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.75 3men h ARG 180 Cb 0.32 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.59 3men h ARG 180 CO 0.02 0.00 0.60 0.00 0.56 0.00 0.00 179.97 181.15 3men h ALA 181 N 2.06 1.41 -0.02 0.04 0.00 -1.66 -3.27 119.26 117.82 3men h ALA 181 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3men h ALA 181 Cb 0.12 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3men h ALA 181 CO 0.00 0.50 0.00 0.54 0.00 0.00 0.00 179.25 180.29 3men n ARG 182 N -4.43 0.52 -3.98 0.00 5.12 -0.80 -5.00 116.66 108.09 3men n ARG 182 Ca 0.12 -0.94 -0.29 0.00 -1.93 0.00 0.00 57.85 54.80 3men n ARG 182 Cb 0.09 -1.04 -0.17 0.00 -1.16 0.00 0.00 32.46 30.18 3men n ARG 182 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 3men s HIS 183 N -0.44 1.94 0.34 -1.55 3.76 -0.83 -5.03 115.29 113.48 3men s HIS 183 Ca 0.03 -1.07 0.08 0.00 -0.15 0.00 0.00 55.06 53.95 3men s HIS 183 Cb 0.02 -1.48 0.79 0.00 1.11 0.00 0.00 32.58 33.02 3men s HIS 183 CO 0.02 -0.62 1.84 0.00 -0.85 0.00 0.00 174.74 175.13 3men h ALA 184 N 8.09 1.79 -3.27 -1.40 0.00 -1.90 -3.40 119.26 119.17 3men h ALA 184 Ca -0.35 0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.28 3men h ALA 184 Cb 1.13 -0.12 -0.36 0.00 0.00 0.00 0.00 17.79 18.45 3men h ALA 184 CO 0.49 -0.08 -0.68 1.03 0.00 0.00 0.00 179.25 180.01 3men s ARG 185 N -5.74 -0.01 -0.04 0.00 0.52 -1.26 -4.88 118.95 107.54 3men s ARG 185 Ca -0.10 0.40 0.06 0.00 -0.52 0.00 0.00 55.73 55.57 3men s ARG 185 Cb 0.23 -0.34 -0.01 0.00 0.52 0.00 0.00 34.95 35.35 3men s ARG 185 CO 0.80 -0.27 -0.23 0.08 0.02 0.00 0.00 175.30 175.70 3men s VAL 186 N 1.84 1.88 -0.06 3.52 1.01 -0.97 0.04 120.40 127.67 3men s VAL 186 Ca -0.00 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.01 3men s VAL 186 Cb -0.12 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 3men s VAL 186 CO -0.04 0.53 -0.10 0.00 0.00 0.00 0.00 175.10 175.48 3men s ALA 187 N -0.32 2.83 -0.20 5.51 0.00 -0.78 -1.44 121.76 127.37 3men s ALA 187 Ca 0.02 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 3men s ALA 187 Cb -0.11 -1.10 -0.00 0.00 0.00 0.00 0.00 23.12 21.90 3men s ALA 187 CO 0.01 0.57 -0.08 0.08 0.00 0.00 0.00 175.76 176.34 3men s VAL 188 N -0.78 3.14 -0.19 0.00 1.01 0.11 -1.01 120.40 122.69 3men s VAL 188 Ca 0.12 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 3men s VAL 188 Cb -0.11 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 3men s VAL 188 CO 0.01 0.45 -0.08 -0.22 0.00 0.00 0.00 175.10 175.26 3men s LEU 189 N 1.32 2.77 -0.28 3.92 2.96 -0.36 -1.29 118.68 127.72 3men s LEU 189 Ca 0.04 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 3men s LEU 189 Cb -0.14 -1.68 0.06 0.00 0.50 0.00 0.00 46.19 44.93 3men s LEU 189 CO -0.04 0.04 -0.06 -0.62 -1.32 0.00 0.00 176.35 174.35 3men s ASP 190 N 1.12 4.64 0.00 3.68 -1.08 -0.21 -0.72 116.67 124.10 3men s ASP 190 Ca 0.01 -1.36 0.19 0.00 -0.52 0.00 0.00 52.55 50.87 3men s ASP 190 Cb -0.15 -1.62 0.33 0.00 -1.46 0.00 0.00 42.92 40.03 3men s ASP 190 CO -0.02 -0.22 1.26 0.35 0.52 0.00 0.00 175.17 177.06 3men n THR 191 N 4.51 0.49 -1.48 1.71 -2.24 -0.63 -1.61 114.28 115.03 3men n THR 191 Ca -0.13 -0.75 -0.37 0.00 -2.27 0.00 0.00 64.05 60.53 3men n THR 191 Cb 0.43 0.95 0.06 0.00 -2.10 0.00 0.00 70.33 69.67 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 1.15 0.20 0.04 3.42 2.03 -1.23 -4.54 116.55 117.61 3men n ASP 192 Ca 0.15 0.72 0.14 0.00 0.52 0.00 0.00 54.79 56.33 3men n ASP 192 Cb 0.51 -1.35 0.61 0.00 -0.72 0.00 0.00 41.12 40.17 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 0.10 0.14 -6.16 -0.67 1.85 -1.82 -3.41 114.93 104.97 3men h MET 193 Ca -0.47 -0.01 -0.64 0.00 -0.61 0.00 0.00 59.70 57.97 3men h MET 193 Cb 1.36 -0.03 -0.08 0.00 0.43 0.00 0.00 31.60 33.27 3men h MET 193 CO 0.48 0.09 -0.59 -1.01 -0.40 0.00 0.00 176.91 175.48 3men s HIS 194 N -5.16 3.22 0.15 1.39 3.76 -1.26 -1.28 115.29 116.10 3men s HIS 194 Ca -0.06 0.09 -0.31 0.00 -0.15 0.00 0.00 55.06 54.63 3men s HIS 194 Cb 0.19 -1.63 -0.09 0.00 1.11 0.00 0.00 32.58 32.16 3men s HIS 194 CO 0.72 0.53 1.50 -1.58 -0.85 0.00 0.00 174.74 175.06 3men s HIS 195 N -1.41 3.13 -1.42 1.40 5.65 -1.26 -4.89 115.29 116.49 3men s HIS 195 Ca 0.30 0.74 -0.14 0.00 0.25 0.00 0.00 55.06 56.22 3men s HIS 195 Cb -0.12 -3.84 0.06 0.00 -1.18 0.00 0.00 32.58 27.50 3men s HIS 195 CO 0.23 -3.05 2.14 0.41 -0.65 0.00 0.00 174.74 173.81 3men n GLY 196 N 3.65 4.35 0.30 1.59 0.00 -1.26 -4.63 105.19 109.19 3men n GLY 196 Ca 0.13 -1.66 0.14 0.00 0.00 0.00 0.00 46.02 44.63 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 6.07 0.00 -0.36 1.61 -0.00 -1.89 -1.14 115.11 119.39 3men h GLN 197 Ca 0.53 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 59.08 3men h GLN 197 Cb 0.65 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.13 3men h GLN 197 CO 1.82 0.00 -0.17 0.78 -0.00 0.00 0.00 178.83 181.26 3men h GLY 198 N 0.00 0.82 0.93 0.06 0.00 -1.43 -2.15 103.07 101.30 3men h GLY 198 Ca 0.01 -0.73 -0.04 0.00 0.00 0.00 0.00 47.33 46.57 3men h GLY 198 CO -0.00 0.67 0.09 -2.22 0.00 0.00 0.00 176.54 175.08 3men h ILE 199 N 0.54 1.23 -0.08 2.60 2.04 -1.16 -1.94 117.51 120.73 3men h ILE 199 Ca 0.08 -0.78 0.04 0.00 1.00 0.00 0.00 64.86 65.21 3men h ILE 199 Cb 0.71 1.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.73 3men h ILE 199 CO 0.05 0.27 -0.32 -0.61 0.00 0.00 0.00 178.15 177.54 3men h GLN 200 N 0.48 -0.40 -0.09 2.37 4.15 -1.39 -2.81 115.11 117.42 3men h GLN 200 Ca 0.12 0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.61 3men h GLN 200 Cb 0.31 0.09 -0.06 0.00 0.21 0.00 0.00 27.48 28.03 3men h GLN 200 CO 0.00 -0.27 -0.36 1.49 -1.93 0.00 0.00 178.83 177.76 3men h GLU 201 N -0.42 -0.45 -0.69 1.69 4.81 -1.30 -1.58 114.58 116.65 3men h GLU 201 Ca 0.08 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.46 3men h GLU 201 Cb 0.55 0.10 -0.09 0.00 0.63 0.00 0.00 28.75 29.94 3men h GLU 201 CO -0.32 -0.30 0.26 0.82 -0.73 0.00 0.00 179.01 178.75 3men h ILE 202 N -0.46 0.70 -0.54 2.32 2.04 -1.16 -2.83 117.51 117.58 3men h ILE 202 Ca 0.08 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3men h ILE 202 Cb 0.59 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3men h ILE 202 CO -0.34 0.08 0.00 0.49 0.00 0.00 0.00 178.15 178.37 3men n PHE 203 N -5.00 1.10 -0.14 1.37 3.72 -1.08 -4.74 117.46 112.69 3men n PHE 203 Ca 0.12 -0.60 -0.01 0.00 -0.05 0.00 0.00 57.45 56.91 3men n PHE 203 Cb 0.35 -0.17 0.25 0.00 -0.94 0.00 0.00 39.48 38.97 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 3.34 0.83 -0.34 1.38 3.20 -1.03 -0.78 116.97 123.57 3men h TYR 204 Ca 0.00 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3men h TYR 204 Cb 1.21 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.22 3men h TYR 204 CO 0.57 0.61 0.00 0.00 -1.64 0.00 0.00 178.16 177.70 3men n ALA 205 N -2.45 2.45 -2.61 1.82 0.00 -1.26 -1.72 120.51 116.74 3men n ALA 205 Ca 0.05 -0.81 -0.30 0.00 0.00 0.00 0.00 53.44 52.38 3men n ALA 205 Cb 0.13 -0.97 -0.09 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.56 2.31 0.00 0.00 0.52 -0.30 -2.64 118.95 117.28 3men s ARG 206 Ca 0.36 -0.93 0.04 0.00 -0.52 0.00 0.00 55.73 54.68 3men s ARG 206 Cb 0.20 -2.40 0.03 0.00 0.52 0.00 0.00 34.95 33.30 3men s ARG 206 CO 0.28 0.53 0.64 2.89 0.02 0.00 0.00 175.30 179.66 3men n ARG 207 N 0.76 -0.35 0.18 3.54 1.85 -1.26 -4.32 116.66 117.05 3men n ARG 207 Ca -0.13 -0.76 0.12 0.00 -1.00 0.00 0.00 57.85 56.09 3men n ARG 207 Cb 0.52 -1.08 0.24 0.00 -1.05 0.00 0.00 32.46 31.09 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 0.86 0.00 -3.66 2.89 2.03 -1.93 -3.41 116.42 113.20 3men h ASP 208 Ca 0.00 -0.00 -0.63 0.00 -0.73 0.00 0.00 57.03 55.67 3men h ASP 208 Cb 0.18 0.00 -0.38 0.00 -0.83 0.00 0.00 39.33 38.30 3men h ASP 208 CO 0.00 0.00 -0.78 -0.69 -1.03 0.00 0.00 179.24 176.74 3men s VAL 209 N -3.18 1.70 0.10 4.15 1.01 -1.26 -2.29 120.40 120.64 3men s VAL 209 Ca 0.08 -1.45 -0.30 0.00 0.00 0.00 0.00 61.98 60.31 3men s VAL 209 Cb 0.08 -1.99 -0.06 0.00 0.00 0.00 0.00 36.38 34.41 3men s VAL 209 CO 0.65 -0.18 1.16 -0.22 0.00 0.00 0.00 175.10 176.51 3men s LEU 210 N 1.29 4.41 -0.21 3.92 2.96 -0.52 -4.91 118.68 125.63 3men s LEU 210 Ca -0.04 2.05 -0.02 0.00 -0.22 0.00 0.00 54.13 55.90 3men s LEU 210 Cb -0.19 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.91 3men s LEU 210 CO -0.07 -0.39 -0.09 -0.47 -1.32 0.00 0.00 176.35 174.01 3men s TYR 211 N 0.59 2.90 -0.12 5.38 5.04 -0.68 0.08 117.35 130.55 3men s TYR 211 Ca 0.55 -1.15 0.02 0.00 -2.44 0.00 0.00 57.07 54.05 3men s TYR 211 Cb -0.29 -2.05 0.02 0.00 0.35 0.00 0.00 41.96 39.98 3men s TYR 211 CO 0.31 -0.63 -0.16 0.08 -1.34 0.00 0.00 175.55 173.82 3men s VAL 212 N 1.42 1.59 -0.07 3.14 1.01 -0.41 -0.53 120.40 126.54 3men s VAL 212 Ca 0.06 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.38 3men s VAL 212 Cb -0.14 -1.45 0.01 0.00 0.00 0.00 0.00 36.38 34.80 3men s VAL 212 CO -0.06 0.46 -0.16 -0.55 0.00 0.00 0.00 175.10 174.79 3men s SER 213 N 1.03 2.17 -0.17 3.32 0.15 0.03 -1.04 113.70 119.19 3men s SER 213 Ca -0.05 -0.38 -0.05 0.00 0.70 0.00 0.00 55.95 56.18 3men s SER 213 Cb -0.15 -0.97 -0.03 0.00 -1.71 0.00 0.00 66.02 63.16 3men s SER 213 CO -0.03 0.08 -0.01 -0.63 1.20 0.00 0.00 173.24 173.85 3men s ILE 214 N 0.53 4.09 0.15 6.45 1.01 -0.64 0.14 121.20 132.94 3men s ILE 214 Ca -0.15 -0.28 -0.25 0.00 0.00 0.00 0.00 60.65 59.97 3men s ILE 214 Cb -0.16 -2.82 0.06 0.00 0.01 0.00 0.00 42.46 39.56 3men s ILE 214 CO 0.05 0.47 0.95 -1.38 0.00 0.00 0.00 174.94 175.03 3men s HIS 215 N 0.50 -0.14 0.34 3.97 -3.43 -1.11 -4.37 115.29 111.04 3men s HIS 215 Ca -0.01 -0.16 -0.27 0.00 -0.80 0.00 0.00 55.06 53.81 3men s HIS 215 Cb -0.14 0.64 -0.09 0.00 -1.43 0.00 0.00 32.58 31.56 3men s HIS 215 CO 0.02 -0.83 1.13 0.20 -2.00 0.00 0.00 174.74 173.26 3men s GLY 216 N -2.93 2.95 -0.24 -1.38 0.00 -0.40 0.07 107.32 105.40 3men s GLY 216 Ca 0.12 0.92 -0.41 0.00 0.00 0.00 0.00 44.72 45.35 3men s GLY 216 CO 0.02 1.47 1.61 1.34 0.00 0.00 0.00 173.10 177.54 3men n ASP 217 N 0.65 1.91 0.00 1.64 2.03 0.06 -4.67 116.55 118.17 3men n ASP 217 Ca 0.01 1.11 0.10 0.00 0.52 0.00 0.00 54.79 56.53 3men n ASP 217 Cb 0.46 -1.09 0.47 0.00 -0.72 0.00 0.00 41.12 40.24 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 4.41 0.11 -1.38 -0.67 -0.02 -1.26 -4.41 135.00 131.77 3men n PRO 218 Ca 0.25 0.13 -0.53 0.00 -2.02 0.00 0.00 63.50 61.33 3men n PRO 218 Cb 0.10 -1.50 -0.09 0.00 -0.02 0.00 0.00 33.50 31.99 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 -1.42 0.09 -2.61 3.45 -1.04 -1.26 -1.07 114.28 110.41 3men n THR 219 Ca 0.07 -0.16 -0.17 0.00 -2.04 0.00 0.00 64.05 61.75 3men n THR 219 Cb 0.21 -1.15 -0.00 0.00 -1.82 0.00 0.00 70.33 67.58 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 9.21 -4.62 -3.73 8.00 3.02 -1.26 -4.95 115.26 120.93 3men n ASN 220 Ca 0.49 0.02 -0.12 0.00 -0.03 0.00 0.00 54.58 54.93 3men n ASN 220 Cb 0.12 -3.86 -0.13 0.00 -0.61 0.00 0.00 39.78 35.30 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 -2.82 -0.34 0.22 3.10 5.36 -0.24 -5.02 117.98 118.25 3men s PHE 221 Ca 0.08 0.80 -0.32 0.00 -0.96 0.00 0.00 56.93 56.53 3men s PHE 221 Cb -0.04 0.06 -0.13 0.00 -0.34 0.00 0.00 43.02 42.57 3men s PHE 221 CO 0.10 -0.23 1.52 0.98 -1.46 0.00 0.00 175.22 176.13 3men n TYR 222 N 4.12 2.35 1.35 10.12 9.36 -1.26 -0.52 117.16 142.68 3men n TYR 222 Ca -0.24 0.32 0.08 0.00 3.32 0.00 0.00 57.90 61.38 3men n TYR 222 Cb 0.54 -2.53 0.33 0.00 -0.63 0.00 0.00 39.34 37.05 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 2.69 1.56 0.00 2.98 -0.04 -1.26 -4.36 135.00 136.56 3men n PRO 223 Ca 0.13 -0.85 0.00 0.00 -0.04 0.00 0.00 63.50 62.75 3men n PRO 223 Cb 0.31 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.10 0.00 0.69 0.55 0.00 0.32 -4.39 120.51 117.78 3men n ALA 224 Ca 0.13 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.65 3men n ALA 224 Cb 0.25 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.72 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 -3.91 0.00 0.24 -1.26 -4.57 118.33 108.83 3men n VAL 225 Ca 0.00 -0.39 -0.09 0.00 -2.04 0.00 0.00 64.34 61.82 3men n VAL 225 Cb 0.00 1.23 -0.06 0.00 -1.47 0.00 0.00 33.84 33.55 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 -1.70 -0.33 0.00 2.33 0.00 -1.26 -4.97 121.76 115.83 3men s ALA 226 Ca 0.15 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.41 3men s ALA 226 Cb 0.13 0.92 0.00 0.00 0.00 0.00 0.00 23.12 24.17 3men s ALA 226 CO 0.33 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.75 3men n GLY 227 N -0.30 1.01 3.85 0.00 0.00 -1.26 -4.66 105.19 103.82 3men n GLY 227 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 3.38 -0.51 1.61 0.08 -1.26 -4.59 117.98 114.68 3men s PHE 228 Ca 0.00 1.22 0.17 0.00 0.12 0.00 0.00 56.93 58.44 3men s PHE 228 Cb 0.00 -2.54 0.84 0.00 -0.57 0.00 0.00 43.02 40.75 3men s PHE 228 CO 0.00 0.06 1.53 -0.40 -0.10 0.00 0.00 175.22 176.31 3men n ASP 229 N -0.49 0.43 0.00 1.36 5.68 -1.26 -1.89 116.55 120.38 3men n ASP 229 Ca 0.04 0.66 0.14 0.00 -0.50 0.00 0.00 54.79 55.12 3men n ASP 229 Cb 0.53 -0.73 0.72 0.00 -1.14 0.00 0.00 41.12 40.50 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 -2.03 0.00 -4.44 -1.12 5.75 -1.26 -4.59 116.55 108.86 3men n ASP 230 Ca 0.00 -0.24 -0.44 0.00 -0.01 0.00 0.00 54.79 54.11 3men n ASP 230 Cb 0.10 -0.24 -0.03 0.00 -1.03 0.00 0.00 41.12 39.92 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 -2.47 3.43 0.00 0.11 2.02 -0.79 -4.81 118.70 116.19 3men s GLU 231 Ca 0.29 -1.52 0.03 0.00 0.02 0.00 0.00 54.97 53.79 3men s GLU 231 Cb 0.19 -4.69 0.08 0.00 0.10 0.00 0.00 34.13 29.81 3men s GLU 231 CO 0.40 -1.75 0.96 0.54 0.02 0.00 0.00 175.26 175.43 3men n ARG 232 N 6.75 2.09 0.00 1.61 1.74 -1.26 -4.45 116.66 123.14 3men n ARG 232 Ca 0.14 -1.43 0.00 0.00 -0.77 0.00 0.00 57.85 55.79 3men n ARG 232 Cb 0.48 -1.08 0.00 0.00 -1.02 0.00 0.00 32.46 30.84 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 -0.10 1.45 3.23 -0.13 0.00 -1.26 -0.76 105.19 107.63 3men n GLY 233 Ca 0.03 -2.11 -0.19 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.68 1.48 0.00 4.61 0.00 -0.70 -4.49 121.76 120.98 3men s ALA 234 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.75 3men s ALA 234 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.01 3men s ALA 234 CO 0.00 0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.34 3men n GLY 235 N 0.81 2.41 0.34 0.00 0.00 -1.26 -0.70 105.19 106.79 3men n GLY 235 Ca -0.18 -0.37 0.18 0.00 0.00 0.00 0.00 46.02 45.65 3men n GLY 235 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3men h GLU 236 N 0.00 0.00 0.00 1.61 4.57 -1.96 -1.25 114.58 117.54 3men h GLU 236 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3men h GLU 236 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3men h GLU 236 CO 0.00 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.24 3men n GLY 237 N -1.24 -0.97 3.66 1.92 0.00 0.12 -4.46 105.19 104.22 3men n GLY 237 Ca -0.01 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.04 4.35 0.00 0.99 2.96 -0.48 -1.20 118.68 123.27 3men s LEU 238 Ca 0.44 2.53 0.00 0.00 -0.22 0.00 0.00 54.13 56.88 3men s LEU 238 Cb 0.21 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.37 3men s LEU 238 CO 0.36 -1.08 0.00 0.61 -1.32 0.00 0.00 176.35 174.92 3men n GLY 239 N 4.53 0.39 1.27 7.98 0.00 0.06 -4.94 105.19 114.47 3men n GLY 239 Ca 0.20 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.94 1.12 -3.89 1.61 4.01 -0.34 -4.80 117.16 112.93 3men n TYR 240 Ca 0.00 -0.60 -0.27 0.00 -0.16 0.00 0.00 57.90 56.87 3men n TYR 240 Cb 0.00 -0.16 -0.17 0.00 -0.31 0.00 0.00 39.34 38.70 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 -1.06 2.37 -0.30 7.72 2.47 -1.21 -1.68 114.94 123.26 3men s ASN 241 Ca 0.44 -0.42 0.01 0.00 0.42 0.00 0.00 52.86 53.31 3men s ASN 241 Cb 0.27 -0.84 0.09 0.00 -1.45 0.00 0.00 41.25 39.33 3men s ASN 241 CO 0.23 -0.15 0.05 -0.69 -3.72 0.00 0.00 177.10 172.82 3men s VAL 242 N 1.70 1.44 -0.02 -5.21 1.01 0.30 -4.24 120.40 115.39 3men s VAL 242 Ca 0.04 -1.65 -0.19 0.00 0.00 0.00 0.00 61.98 60.17 3men s VAL 242 Cb -0.13 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 3men s VAL 242 CO -0.08 -0.54 0.54 0.20 0.00 0.00 0.00 175.10 175.23 3men s ASN 243 N 1.35 6.91 -0.52 3.32 0.01 -1.26 -0.79 114.94 123.95 3men s ASN 243 Ca 0.07 1.08 0.07 0.00 -0.71 0.00 0.00 52.86 53.37 3men s ASN 243 Cb -0.18 -2.33 0.26 0.00 0.41 0.00 0.00 41.25 39.40 3men s ASN 243 CO -0.16 0.14 0.66 0.18 -1.51 0.00 0.00 177.10 176.41 3men n LEU 244 N 2.64 2.20 -4.77 0.60 4.77 0.12 -4.53 117.00 118.04 3men n LEU 244 Ca -0.08 -5.13 -0.33 0.00 -0.03 0.00 0.00 56.01 50.44 3men n LEU 244 Cb 0.51 -0.07 0.05 0.00 -2.33 0.00 0.00 43.42 41.57 3men n LEU 244 CO 0.42 2.08 0.74 -2.16 -1.33 0.00 0.00 177.39 177.15 3men s PRO 245 N -1.97 2.82 0.04 3.23 0.04 -1.26 -2.75 135.00 135.15 3men s PRO 245 Ca 0.38 1.40 0.07 0.00 0.04 0.00 0.00 61.00 62.89 3men s PRO 245 Cb 0.17 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.73 3men s PRO 245 CO -0.06 -1.24 -0.19 -1.64 0.04 0.00 0.00 177.00 173.91 3men s MET 246 N -4.06 1.30 0.67 4.56 -1.94 0.11 -4.84 119.30 115.10 3men s MET 246 Ca 0.67 -0.91 -0.17 0.00 -1.71 0.00 0.00 55.69 53.57 3men s MET 246 Cb -0.21 -1.40 -0.00 0.00 2.01 0.00 0.00 34.83 35.23 3men s MET 246 CO 0.41 0.35 1.20 -2.30 -0.01 0.00 0.00 175.02 174.68 3men n PRO 247 N 1.84 0.89 -1.75 2.03 -0.02 -1.26 -0.76 135.00 135.97 3men n PRO 247 Ca -0.17 0.36 -0.42 0.00 -2.02 0.00 0.00 63.50 61.25 3men n PRO 247 Cb 0.54 -2.44 -0.01 0.00 -0.02 0.00 0.00 33.50 31.56 3men n PRO 247 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3men n HIS 248 N -2.15 2.86 -2.62 6.00 8.25 -1.26 -2.74 115.22 123.56 3men n HIS 248 Ca 0.15 0.28 -0.08 0.00 -0.26 0.00 0.00 57.72 57.81 3men n HIS 248 Cb 0.48 -2.59 0.02 0.00 1.12 0.00 0.00 29.99 29.02 3men n HIS 248 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3men n GLY 249 N 1.96 0.27 3.81 -1.41 0.00 -0.36 -5.05 105.19 104.42 3men n GLY 249 Ca 0.08 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 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 6.09 0.80 1.61 0.01 -1.05 -4.95 113.70 113.28 3men s SER 250 Ca 0.13 1.76 -0.12 0.00 1.31 0.00 0.00 55.95 59.04 3men s SER 250 Cb -0.06 -2.53 0.07 0.00 0.21 0.00 0.00 66.02 63.71 3men s SER 250 CO 0.17 -0.95 1.10 -0.94 0.41 0.00 0.00 173.24 173.03 3men s SER 251 N -2.78 4.46 0.35 2.44 1.04 -1.26 -1.90 113.70 116.06 3men s SER 251 Ca 0.63 1.22 0.05 0.00 0.48 0.00 0.00 55.95 58.33 3men s SER 251 Cb -0.14 -1.94 0.70 0.00 0.10 0.00 0.00 66.02 64.74 3men s SER 251 CO 0.33 -1.98 1.97 -0.08 0.98 0.00 0.00 173.24 174.46 3men h GLU 252 N -1.10 0.78 -0.65 4.02 4.81 -1.94 -2.52 114.58 118.00 3men h GLU 252 Ca -0.47 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 58.68 3men h GLU 252 Cb 1.28 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 3men h GLU 252 CO 0.60 0.52 0.30 0.00 -0.73 0.00 0.00 179.01 179.70 3men h ALA 253 N 1.60 0.83 -0.93 2.92 0.00 -1.93 -2.39 119.26 119.35 3men h ALA 253 Ca 0.30 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.16 3men h ALA 253 Cb 0.18 -0.25 -0.08 0.00 0.00 0.00 0.00 17.79 17.64 3men h ALA 253 CO -0.10 0.41 0.58 0.00 0.00 0.00 0.00 179.25 180.14 3men h ALA 254 N 1.13 1.35 0.62 0.00 0.00 -1.82 -0.83 119.26 119.70 3men h ALA 254 Ca 0.22 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3men h ALA 254 Cb 0.14 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.72 3men h ALA 254 CO -0.03 0.24 -0.30 0.35 0.00 0.00 0.00 179.25 179.52 3men h PHE 255 N 0.97 -0.77 0.00 0.00 3.57 -1.28 -2.27 116.94 117.16 3men h PHE 255 Ca 0.44 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.92 3men h PHE 255 Cb 0.35 0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.34 3men h PHE 255 CO -0.02 -0.45 -0.02 0.74 -2.23 0.00 0.00 178.31 176.33 3men h PHE 256 N -0.92 0.00 -0.46 0.41 0.04 -1.28 0.19 116.94 114.92 3men h PHE 256 Ca -0.08 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.60 3men h PHE 256 Cb 0.66 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.80 3men h PHE 256 CO -0.02 0.02 -0.05 0.93 -0.60 0.00 0.00 178.31 178.60 3men h GLU 257 N 0.00 0.78 -0.22 1.51 5.08 -0.84 -2.04 114.58 118.85 3men h GLU 257 Ca -0.00 -0.23 -0.19 0.00 -1.00 0.00 0.00 59.36 57.94 3men h GLU 257 Cb 0.18 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3men h GLU 257 CO 0.00 0.82 -0.61 0.00 -1.00 0.00 0.00 179.01 178.23 3men h ARG 258 N 0.72 0.74 -0.48 2.33 2.47 -0.19 -2.49 114.38 117.49 3men h ARG 258 Ca 0.13 -0.50 0.05 0.00 -1.26 0.00 0.00 59.98 58.40 3men h ARG 258 Cb 0.51 0.07 -0.05 0.00 -1.65 0.00 0.00 29.97 28.86 3men h ARG 258 CO 0.03 1.13 0.22 0.28 0.56 0.00 0.00 179.97 182.18 3men h VAL 259 N 0.55 0.93 -0.74 2.04 2.07 -0.70 0.12 116.25 120.52 3men h VAL 259 Ca -0.00 -0.15 0.09 0.00 0.82 0.00 0.00 66.70 67.46 3men h VAL 259 Cb 1.20 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 3men h VAL 259 CO 0.12 0.08 0.39 0.44 0.02 0.00 0.00 177.57 178.62 3men h ASP 260 N 0.44 0.52 -0.11 0.57 5.19 -1.27 0.42 116.42 122.17 3men h ASP 260 Ca 0.21 0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.68 3men h ASP 260 Cb 0.15 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.62 3men h ASP 260 CO -0.17 0.30 0.07 0.44 -3.12 0.00 0.00 179.24 176.75 3men h ASP 261 N 0.65 0.13 -0.55 6.45 3.32 -0.93 -1.68 116.42 123.81 3men h ASP 261 Ca 0.36 -0.04 0.09 0.00 0.02 0.00 0.00 57.03 57.46 3men h ASP 261 Cb 0.37 -0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.82 3men h ASP 261 CO -0.26 0.13 0.18 0.00 -1.72 0.00 0.00 179.24 177.57 3men h ALA 262 N 1.01 0.68 -0.30 3.45 0.00 0.90 -2.08 119.26 122.92 3men h ALA 262 Ca 0.04 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3men h ALA 262 Cb 0.02 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3men h ALA 262 CO -0.01 -0.23 -0.20 -0.07 0.00 0.00 0.00 179.25 178.75 3men h LEU 263 N 0.35 0.55 -0.87 0.00 3.38 -0.08 -1.06 115.31 117.59 3men h LEU 263 Ca 0.28 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3men h LEU 263 Cb 0.34 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3men h LEU 263 CO -0.30 0.76 0.26 0.03 0.09 0.00 0.00 178.44 179.28 3men h ARG 264 N 0.50 1.10 -0.47 1.13 2.47 -0.78 -1.98 114.38 116.34 3men h ARG 264 Ca 0.08 -0.21 -0.07 0.00 -1.26 0.00 0.00 59.98 58.52 3men h ARG 264 Cb 0.62 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.75 3men h ARG 264 CO 0.04 0.91 0.03 0.93 0.56 0.00 0.00 179.97 182.44 3men h GLU 265 N 1.06 0.81 -0.82 0.04 4.39 -0.72 -2.21 114.58 117.14 3men h GLU 265 Ca 0.24 -0.24 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 3men h GLU 265 Cb 0.24 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 3men h GLU 265 CO -0.02 0.85 0.35 -0.07 -1.16 0.00 0.00 179.01 178.97 3men h LEU 266 N 0.67 1.11 -0.31 1.33 3.38 -1.05 -2.42 115.31 118.02 3men h LEU 266 Ca 0.14 -0.16 -0.20 0.00 0.09 0.00 0.00 57.88 57.75 3men h LEU 266 Cb 0.46 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3men h LEU 266 CO 0.02 0.96 -0.72 0.03 0.09 0.00 0.00 178.44 178.82 3men h ARG 267 N 1.18 0.61 -0.73 1.13 3.08 -1.29 -1.72 114.38 116.64 3men h ARG 267 Ca 0.28 -0.48 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 3men h ARG 267 Cb 0.18 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 3men h ARG 267 CO -0.03 1.10 0.45 -0.09 -1.07 0.00 0.00 179.97 180.33 3men h ARG 268 N 0.42 0.98 -0.03 0.04 2.43 -1.28 -3.13 114.38 113.81 3men h ARG 268 Ca -0.03 -0.08 -0.23 0.00 -0.81 0.00 0.00 59.98 58.83 3men h ARG 268 Cb 1.32 -0.21 0.01 0.00 -0.42 0.00 0.00 29.97 30.66 3men h ARG 268 CO 0.14 0.68 -0.91 0.35 -1.51 0.00 0.00 179.97 178.72 3men h PHE 269 N 1.00 0.72 -4.86 2.20 3.57 -1.20 -3.49 116.94 114.88 3men h PHE 269 Ca 0.26 -0.37 -0.21 0.00 3.53 0.00 0.00 57.97 61.18 3men h PHE 269 Cb -0.05 -0.09 0.15 0.00 2.79 0.00 0.00 35.95 38.74 3men h PHE 269 CO 0.00 1.19 -0.64 0.00 -2.23 0.00 0.00 178.31 176.63 3men n ALA 270 N -2.56 -1.88 -1.75 2.41 0.00 -0.67 -4.97 120.51 111.08 3men n ALA 270 Ca -0.07 0.06 -0.38 0.00 0.00 0.00 0.00 53.44 53.05 3men n ALA 270 Cb 0.81 -3.78 0.03 0.00 0.00 0.00 0.00 19.45 16.52 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 -4.38 3.26 0.27 0.00 0.04 -1.26 -4.94 135.00 128.00 3men s PRO 271 Ca 0.24 2.21 0.21 0.00 0.04 0.00 0.00 61.00 63.70 3men s PRO 271 Cb -0.03 -2.32 0.10 0.00 0.04 0.00 0.00 34.50 32.29 3men s PRO 271 CO 0.57 -1.08 1.24 -0.44 0.04 0.00 0.00 177.00 177.33 3men h ASP 272 N 1.61 0.00 -5.05 6.66 3.32 -0.76 -3.47 116.42 118.73 3men h ASP 272 Ca -0.51 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.47 3men h ASP 272 Cb 1.29 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.69 3men h ASP 272 CO 0.58 0.13 -0.10 0.00 -1.72 0.00 0.00 179.24 178.12 3men s ALA 273 N -3.22 -0.97 -0.07 3.45 0.00 -1.17 -4.49 121.76 115.30 3men s ALA 273 Ca 0.02 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.20 3men s ALA 273 Cb 0.08 0.44 0.01 0.00 0.00 0.00 0.00 23.12 23.65 3men s ALA 273 CO 0.75 -0.51 -0.15 -1.17 0.00 0.00 0.00 175.76 174.68 3men s LEU 274 N -2.23 1.75 -0.23 0.00 2.96 0.41 -1.87 118.68 119.47 3men s LEU 274 Ca -0.03 -0.36 -0.07 0.00 -0.22 0.00 0.00 54.13 53.45 3men s LEU 274 Cb 0.00 -0.97 -0.03 0.00 0.50 0.00 0.00 46.19 45.69 3men s LEU 274 CO -0.05 0.06 0.05 -0.69 -1.32 0.00 0.00 176.35 174.40 3men s VAL 275 N 0.60 4.22 -0.39 1.68 1.01 -0.18 -0.47 120.40 126.87 3men s VAL 275 Ca -0.15 -0.21 -0.13 0.00 0.00 0.00 0.00 61.98 61.49 3men s VAL 275 Cb -0.16 -2.95 0.02 0.00 0.00 0.00 0.00 36.38 33.28 3men s VAL 275 CO 0.05 0.37 0.25 -0.22 0.00 0.00 0.00 175.10 175.55 3men s LEU 276 N 1.39 4.88 -0.60 3.92 2.96 0.51 -1.23 118.68 130.52 3men s LEU 276 Ca 0.05 -0.91 -0.23 0.00 -0.22 0.00 0.00 54.13 52.82 3men s LEU 276 Cb -0.15 -2.09 0.06 0.00 0.50 0.00 0.00 46.19 44.51 3men s LEU 276 CO 0.03 -0.40 0.93 -0.44 -1.32 0.00 0.00 176.35 175.14 3men s SER 277 N 1.62 6.24 -0.30 3.68 0.01 0.11 0.31 113.70 125.37 3men s SER 277 Ca 0.04 -0.71 -0.07 0.00 1.31 0.00 0.00 55.95 56.51 3men s SER 277 Cb -0.19 -2.42 0.01 0.00 0.21 0.00 0.00 66.02 63.63 3men s SER 277 CO 0.08 -1.31 0.10 -0.22 0.41 0.00 0.00 173.24 172.30 3men s LEU 278 N 3.91 3.93 -0.02 2.44 2.96 -0.19 -1.60 118.68 130.12 3men s LEU 278 Ca 0.25 -0.70 0.05 0.00 -0.22 0.00 0.00 54.13 53.51 3men s LEU 278 Cb -0.15 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.61 3men s LEU 278 CO 0.14 -0.20 -0.17 -0.83 -1.32 0.00 0.00 176.35 173.97 3men s GLY 279 N 1.52 1.51 0.00 7.98 0.00 -1.26 -1.21 107.32 115.86 3men s GLY 279 Ca 0.03 -1.07 0.24 0.00 0.00 0.00 0.00 44.72 43.93 3men s GLY 279 CO 0.03 -0.89 1.33 0.69 0.00 0.00 0.00 173.10 174.26 3men n PHE 280 N 2.06 0.00 1.32 1.90 3.72 -0.47 -4.26 117.46 121.74 3men n PHE 280 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 3men n PHE 280 Cb 0.52 -0.08 0.03 0.00 -0.94 0.00 0.00 39.48 39.00 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 -0.59 0.00 0.00 4.37 5.68 -1.26 -0.61 116.55 124.13 3men n ASP 281 Ca 0.10 -1.30 0.14 0.00 -0.50 0.00 0.00 54.79 53.23 3men n ASP 281 Cb 0.39 0.00 0.65 0.00 -1.14 0.00 0.00 41.12 41.02 3men n ASP 281 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 3men n VAL 282 N -0.52 0.05 -1.76 2.12 0.24 -1.26 -3.74 118.33 113.46 3men n VAL 282 Ca 0.01 0.01 -0.42 0.00 -2.04 0.00 0.00 64.34 61.90 3men n VAL 282 Cb 0.00 -0.53 -0.02 0.00 -1.47 0.00 0.00 33.84 31.82 3men n VAL 282 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3men s TYR 283 N -2.84 2.81 0.36 6.34 5.04 0.21 -2.93 117.35 126.34 3men s TYR 283 Ca 0.19 0.62 0.18 0.00 -2.44 0.00 0.00 57.07 55.62 3men s TYR 283 Cb 0.19 -4.10 1.23 0.00 0.35 0.00 0.00 41.96 39.63 3men s TYR 283 CO 0.49 -3.86 1.62 -0.09 -1.34 0.00 0.00 175.55 172.37 3men h ARG 284 N 5.56 0.15 -0.64 4.97 2.43 -1.24 0.61 114.38 126.21 3men h ARG 284 Ca -0.46 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 3men h ARG 284 Cb 1.21 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3men h ARG 284 CO 0.85 0.10 0.00 -0.25 -1.51 0.00 0.00 179.97 179.16 3men n ASP 285 N -5.14 3.80 -4.73 -3.80 8.00 -1.26 -4.89 116.55 108.53 3men n ASP 285 Ca 0.35 -2.04 -0.42 0.00 0.71 0.00 0.00 54.79 53.40 3men n ASP 285 Cb 1.15 -0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 41.77 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 -1.00 7.04 0.56 -2.24 2.15 0.20 -4.89 116.67 118.48 3men s ASP 286 Ca 0.44 2.19 0.27 0.00 0.43 0.00 0.00 52.55 55.88 3men s ASP 286 Cb 0.23 -2.60 1.62 0.00 -0.30 0.00 0.00 42.92 41.88 3men s ASP 286 CO 0.29 -0.44 2.18 1.55 -0.17 0.00 0.00 175.17 178.57 3men h PRO 287 N 5.90 0.00 -0.00 4.34 0.13 -1.91 -0.55 132.00 139.91 3men h PRO 287 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3men h PRO 287 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3men h PRO 287 CO 0.78 0.05 -0.05 1.04 -0.23 0.00 0.00 178.00 179.59 3men n GLN 288 N -3.86 0.24 -2.37 0.86 1.13 -1.26 -4.96 117.38 107.16 3men n GLN 288 Ca -0.03 -0.03 -0.40 0.00 -1.94 0.00 0.00 57.00 54.61 3men n GLN 288 Cb 0.14 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 28.96 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 -2.78 7.02 -0.10 1.08 0.15 -0.22 -4.95 113.70 113.91 3men s SER 289 Ca 0.21 2.36 0.14 0.00 0.70 0.00 0.00 55.95 59.36 3men s SER 289 Cb 0.19 -2.63 0.23 0.00 -1.71 0.00 0.00 66.02 62.11 3men s SER 289 CO 0.51 -0.32 1.12 0.00 1.20 0.00 0.00 173.24 175.75 3men n GLN 290 N 0.87 0.95 -3.71 5.44 1.13 -1.26 -4.94 117.38 115.86 3men n GLN 290 Ca 0.00 -2.23 -0.14 0.00 -1.94 0.00 0.00 57.00 52.69 3men n GLN 290 Cb 0.45 -1.22 -0.09 0.00 0.11 0.00 0.00 30.24 29.49 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 -2.11 0.02 -1.13 5.09 0.11 -1.26 -1.22 120.40 119.90 3men s VAL 291 Ca 0.25 -0.20 -0.04 0.00 -2.93 0.00 0.00 61.98 59.06 3men s VAL 291 Cb 0.22 -0.66 0.19 0.00 -1.53 0.00 0.00 36.38 34.60 3men s VAL 291 CO 0.01 -0.11 2.22 0.00 -3.33 0.00 0.00 175.10 173.89 3men n ALA 292 N 1.93 6.53 -2.21 1.54 0.00 -0.80 -3.86 120.51 123.64 3men n ALA 292 Ca -0.17 -4.17 -0.40 0.00 0.00 0.00 0.00 53.44 48.70 3men n ALA 292 Cb 0.57 -2.49 -0.05 0.00 0.00 0.00 0.00 19.45 17.48 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 -2.49 4.50 0.37 0.00 1.01 -1.15 -3.73 120.40 118.92 3men s VAL 293 Ca 0.49 1.89 0.08 0.00 0.00 0.00 0.00 61.98 64.44 3men s VAL 293 Cb 0.22 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 3men s VAL 293 CO -0.13 0.38 0.33 0.42 0.00 0.00 0.00 175.10 176.10 3men s THR 294 N -0.30 3.12 0.42 3.92 -4.23 -1.26 -1.15 115.64 116.16 3men s THR 294 Ca 0.42 -1.35 0.08 0.00 -1.18 0.00 0.00 61.69 59.66 3men s THR 294 Cb -0.23 -3.09 0.27 0.00 1.34 0.00 0.00 72.50 70.79 3men s THR 294 CO 0.28 -0.09 2.07 0.74 -0.54 0.00 0.00 174.62 177.07 3men h THR 295 N 1.14 1.09 -0.44 3.99 2.02 -1.97 0.15 112.91 118.89 3men h THR 295 Ca -0.43 -0.17 -0.13 0.00 0.77 0.00 0.00 66.41 66.44 3men h THR 295 Cb 1.26 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 3men h THR 295 CO 0.58 0.09 -0.24 0.44 0.37 0.00 0.00 175.52 176.76 3men h ASP 296 N 0.51 0.94 -0.85 4.18 5.19 -1.97 -2.96 116.42 121.47 3men h ASP 296 Ca 0.14 -0.36 0.20 0.00 -0.62 0.00 0.00 57.03 56.38 3men h ASP 296 Cb -0.05 -0.26 -0.12 0.00 0.18 0.00 0.00 39.33 39.08 3men h ASP 296 CO -0.03 1.13 0.33 1.23 -3.12 0.00 0.00 179.24 178.78 3men h GLY 297 N 0.90 1.37 0.99 2.75 0.00 -1.11 -1.53 103.07 106.44 3men h GLY 297 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3men h GLY 297 CO 0.07 -0.23 0.21 0.74 0.00 0.00 0.00 176.54 177.33 3men h PHE 298 N 0.37 0.41 -0.55 5.60 0.04 -1.25 0.37 116.94 121.93 3men h PHE 298 Ca 0.51 0.01 0.06 0.00 2.80 0.00 0.00 57.97 61.35 3men h PHE 298 Cb 0.93 -0.14 -0.05 0.00 2.20 0.00 0.00 35.95 38.89 3men h PHE 298 CO -0.17 0.25 0.25 0.78 -0.60 0.00 0.00 178.31 178.82 3men h GLY 299 N 0.44 0.77 1.00 -1.45 0.00 -1.33 0.04 103.07 102.54 3men h GLY 299 Ca 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3men h GLY 299 CO -0.03 0.07 0.26 -0.09 0.00 0.00 0.00 176.54 176.74 3men h ARG 300 N 0.47 0.52 -0.48 4.80 2.43 -0.55 -0.69 114.38 120.88 3men h ARG 300 Ca 0.26 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.44 3men h ARG 300 Cb 0.22 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.61 3men h ARG 300 CO -0.21 0.35 0.22 1.25 -1.51 0.00 0.00 179.97 180.07 3men h LEU 301 N 0.53 0.30 -0.18 3.80 5.85 0.63 -1.60 115.31 124.63 3men h LEU 301 Ca 0.14 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.94 3men h LEU 301 Cb -0.05 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 3men h LEU 301 CO -0.03 0.21 -0.11 1.23 -0.34 0.00 0.00 178.44 179.40 3men h GLY 302 N 0.44 0.04 0.97 3.75 0.00 -0.65 -2.33 103.07 105.29 3men h GLY 302 Ca 0.22 0.13 0.02 0.00 0.00 0.00 0.00 47.33 47.69 3men h GLY 302 CO -0.17 -0.12 0.54 0.84 0.00 0.00 0.00 176.54 177.62 3men h HIS 303 N -0.10 1.01 -0.54 5.60 -0.00 -0.61 0.36 115.15 120.87 3men h HIS 303 Ca 0.10 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.44 3men h HIS 303 Cb 0.25 -0.34 -0.02 0.00 -0.00 0.00 0.00 27.41 27.30 3men h HIS 303 CO -0.25 0.62 0.09 -0.07 -0.00 0.00 0.00 177.93 178.32 3men h LEU 304 N 1.08 0.79 0.07 0.26 3.38 -0.95 -1.88 115.31 118.07 3men h LEU 304 Ca 0.31 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 3men h LEU 304 Cb -0.09 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.46 3men h LEU 304 CO -0.08 0.80 -0.57 0.40 0.09 0.00 0.00 178.44 179.08 3men h ILE 305 N 0.80 1.54 -0.85 1.22 2.04 -0.72 -3.19 117.51 118.34 3men h ILE 305 Ca 0.17 -2.42 0.18 0.00 1.00 0.00 0.00 64.86 63.79 3men h ILE 305 Cb 0.35 3.17 -0.06 0.00 -0.74 0.00 0.00 36.82 39.53 3men h ILE 305 CO 0.01 0.64 0.57 1.23 0.00 0.00 0.00 178.15 180.59 3men h GLY 306 N -0.63 0.86 2.00 5.37 0.00 -1.04 -1.57 103.07 108.07 3men h GLY 306 Ca -0.11 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3men h GLY 306 CO 0.05 0.03 0.00 0.00 0.00 0.00 0.00 176.54 176.62 3men n ALA 307 N -2.51 1.44 0.22 3.60 0.00 -0.71 -1.91 120.51 120.64 3men n ALA 307 Ca 0.18 0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.78 3men n ALA 307 Cb 0.62 -1.32 0.50 0.00 0.00 0.00 0.00 19.45 19.25 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 -1.32 0.00 3.38 -1.36 -3.47 115.31 112.54 3men h LEU 308 Ca 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 3men h LEU 308 Cb 0.22 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.11 3men h LEU 308 CO 0.00 0.26 -0.65 0.54 0.09 0.00 0.00 178.44 178.68 3men n ARG 309 N -3.83 -6.44 -4.11 1.13 1.74 -0.80 -5.02 116.66 99.33 3men n ARG 309 Ca -0.02 0.75 -0.27 0.00 -0.77 0.00 0.00 57.85 57.54 3men n ARG 309 Cb 0.35 -5.50 -0.06 0.00 -1.02 0.00 0.00 32.46 26.23 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 -6.21 3.66 0.05 0.55 1.43 -1.26 -5.07 118.68 111.84 3men s LEU 310 Ca 0.24 -0.17 -0.30 0.00 -1.03 0.00 0.00 54.13 52.86 3men s LEU 310 Cb -0.10 -2.30 -0.09 0.00 0.03 0.00 0.00 46.19 43.72 3men s LEU 310 CO 0.65 0.10 1.88 -2.84 0.23 0.00 0.00 176.35 176.36 3men s PRO 311 N -2.88 4.15 -0.13 1.29 0.02 -1.26 -4.83 135.00 131.36 3men s PRO 311 Ca 0.29 2.55 -0.01 0.00 0.02 0.00 0.00 61.00 63.85 3men s PRO 311 Cb -0.10 -3.95 0.04 0.00 0.02 0.00 0.00 34.50 30.50 3men s PRO 311 CO 0.22 -0.90 -0.03 0.99 -0.33 0.00 0.00 177.00 176.95 3men s THR 312 N 3.82 0.80 -0.29 0.99 2.01 -0.91 -0.45 115.64 121.62 3men s THR 312 Ca 0.84 -0.32 -0.14 0.00 0.31 0.00 0.00 61.69 62.38 3men s THR 312 Cb -0.42 -0.98 -0.03 0.00 0.01 0.00 0.00 72.50 71.08 3men s THR 312 CO 0.38 0.19 0.32 -0.69 -0.69 0.00 0.00 174.62 174.13 3men s VAL 313 N 1.78 5.21 -0.33 3.82 1.01 0.38 -2.45 120.40 129.81 3men s VAL 313 Ca 0.03 0.31 -0.14 0.00 0.00 0.00 0.00 61.98 62.18 3men s VAL 313 Cb -0.14 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 3men s VAL 313 CO -0.07 0.10 0.28 -0.63 0.00 0.00 0.00 175.10 174.78 3men s ILE 314 N 1.97 5.24 -0.20 2.22 1.01 -0.52 -0.36 121.20 130.57 3men s ILE 314 Ca 0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 60.65 60.69 3men s ILE 314 Cb -0.16 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.57 3men s ILE 314 CO 0.11 -0.01 -0.07 -0.69 0.00 0.00 0.00 174.94 174.28 3men s VAL 315 N 1.84 3.18 0.04 2.92 1.01 0.15 -0.10 120.40 129.45 3men s VAL 315 Ca 0.08 -0.57 -0.31 0.00 0.00 0.00 0.00 61.98 61.19 3men s VAL 315 Cb -0.17 -2.42 -0.06 0.00 0.00 0.00 0.00 36.38 33.73 3men s VAL 315 CO 0.11 0.45 1.35 -1.58 0.00 0.00 0.00 175.10 175.43 3men s GLN 316 N 1.27 4.33 0.00 2.72 2.00 -0.77 -1.02 119.66 128.18 3men s GLN 316 Ca 0.03 1.94 0.00 0.00 -2.00 0.00 0.00 55.36 55.33 3men s GLN 316 Cb -0.14 -3.43 0.00 0.00 0.80 0.00 0.00 33.01 30.23 3men s GLN 316 CO -0.03 -0.46 0.00 0.39 -0.50 0.00 0.00 175.29 174.68 3men n GLU 317 N 4.66 0.00 0.00 1.67 -0.58 -0.35 -4.32 120.64 121.73 3men n GLU 317 Ca 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 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 -1.44 0.00 0.62 0.00 -1.26 -4.73 105.19 103.37 3men n GLY 318 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 4.36 2.03 0.00 -0.02 0.00 -1.26 -1.36 105.19 108.94 3men n GLY 319 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 0.66 0.00 -2.54 1.61 4.01 -1.26 -4.85 117.16 114.79 3men n TYR 320 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 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 -0.20 2.37 0.32 -0.72 2.46 -1.26 -4.88 115.29 113.38 3men s HIS 321 Ca 0.00 -0.37 0.04 0.00 0.47 0.00 0.00 55.06 55.20 3men s HIS 321 Cb 0.00 -4.65 0.66 0.00 -0.13 0.00 0.00 32.58 28.46 3men s HIS 321 CO 0.00 -2.02 1.88 0.82 -2.47 0.00 0.00 174.74 172.95 3men h ILE 322 N 6.39 0.94 0.00 0.89 1.08 -1.98 -2.39 117.51 122.44 3men h ILE 322 Ca -0.07 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 64.10 3men h ILE 322 Cb 1.03 -0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.77 3men h ILE 322 CO 1.34 0.16 0.00 -0.62 -0.69 0.00 0.00 178.15 178.34 3men n GLU 323 N -4.55 0.14 -0.00 2.37 -0.58 -1.26 -3.56 120.64 113.20 3men n GLU 323 Ca 0.16 0.14 0.05 0.00 -0.42 0.00 0.00 57.16 57.09 3men n GLU 323 Cb 0.34 -1.67 -0.07 0.00 -0.57 0.00 0.00 31.44 29.47 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 -1.92 2.03 -0.29 1.62 3.41 -0.93 -4.67 113.62 112.87 3men n SER 324 Ca 0.06 -0.23 0.08 0.00 -0.26 0.00 0.00 58.87 58.51 3men n SER 324 Cb 0.37 1.30 0.19 0.00 -0.26 0.00 0.00 64.21 65.81 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 0.00 -0.47 -0.00 1.04 3.38 -1.53 -0.50 115.31 117.23 3men h LEU 325 Ca 0.00 0.23 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 3men h LEU 325 Cb 0.37 0.42 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 3men h LEU 325 CO 0.00 -0.25 0.00 -0.08 0.09 0.00 0.00 178.44 178.20 3men h GLU 326 N 0.06 0.01 -0.15 1.13 4.81 -1.80 -1.80 114.58 116.83 3men h GLU 326 Ca 0.47 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.62 3men h GLU 326 Cb 0.85 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 3men h GLU 326 CO -0.78 0.30 -0.26 0.00 -0.73 0.00 0.00 179.01 177.53 3men h ALA 327 N 0.71 1.28 -0.27 2.92 0.00 -1.75 -2.05 119.26 120.10 3men h ALA 327 Ca 0.00 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.46 3men h ALA 327 Cb 0.29 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3men h ALA 327 CO 0.00 0.48 -0.38 -0.91 0.00 0.00 0.00 179.25 178.44 3men h ASN 328 N 0.24 0.81 0.05 0.00 2.35 -0.92 -1.06 115.58 117.06 3men h ASN 328 Ca 0.04 -0.51 -0.00 0.00 -0.55 0.00 0.00 56.30 55.28 3men h ASN 328 Cb 0.60 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.74 3men h ASN 328 CO 0.04 1.16 -0.02 0.00 -1.65 0.00 0.00 177.43 176.96 3men h ALA 329 N 0.68 -0.07 -1.00 -0.83 0.00 -1.22 -0.34 119.26 116.48 3men h ALA 329 Ca 0.03 -0.14 0.19 0.00 0.00 0.00 0.00 54.91 54.99 3men h ALA 329 Cb 0.97 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.69 3men h ALA 329 CO 0.09 -0.40 0.61 0.07 0.00 0.00 0.00 179.25 179.62 3men h ARG 330 N -0.33 0.73 -0.20 0.00 -0.00 -1.41 0.24 114.38 113.40 3men h ARG 330 Ca -0.01 -0.04 -0.07 0.00 -0.00 0.00 0.00 59.98 59.86 3men h ARG 330 Cb 0.30 -0.17 -0.00 0.00 -0.00 0.00 0.00 29.97 30.10 3men h ARG 330 CO 0.01 0.48 -0.14 1.03 -0.00 0.00 0.00 179.97 181.35 3men h SER 331 N 0.75 0.48 0.07 0.08 0.87 -0.80 -0.93 113.55 114.08 3men h SER 331 Ca 0.56 -0.44 0.01 0.00 -1.23 0.00 0.00 61.79 60.70 3men h SER 331 Cb 0.89 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.70 3men h SER 331 CO -0.35 0.82 -0.16 0.15 -0.53 0.00 0.00 176.83 176.76 3men h PHE 332 N 0.14 -0.41 -0.23 2.24 3.57 0.03 -1.88 116.94 120.40 3men h PHE 332 Ca 0.04 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.40 3men h PHE 332 Cb 0.66 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 3men h PHE 332 CO 0.07 -0.23 -0.48 0.74 -2.23 0.00 0.00 178.31 176.18 3men h PHE 333 N -0.30 0.76 -0.76 0.41 0.04 -0.60 0.51 116.94 117.01 3men h PHE 333 Ca 0.03 -0.25 0.12 0.00 2.80 0.00 0.00 57.97 60.67 3men h PHE 333 Cb 0.33 -0.15 -0.08 0.00 2.20 0.00 0.00 35.95 38.24 3men h PHE 333 CO -0.18 0.98 0.35 0.78 -0.60 0.00 0.00 178.31 179.65 3men h GLY 334 N 1.00 1.16 1.39 -1.45 0.00 -1.12 -1.40 103.07 102.65 3men h GLY 334 Ca 0.03 -0.20 -0.16 0.00 0.00 0.00 0.00 47.33 47.00 3men h GLY 334 CO 0.09 -0.02 -0.48 -1.33 0.00 0.00 0.00 176.54 174.81 3men h GLY 335 N 0.55 0.72 1.14 4.60 0.00 -0.89 -3.27 103.07 105.92 3men h GLY 335 Ca 0.40 -0.78 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3men h GLY 335 CO -0.33 0.70 0.55 -2.75 0.00 0.00 0.00 176.54 174.71 3men h PHE 336 N 0.52 1.11 -0.22 5.60 3.57 -0.19 -2.91 116.94 124.42 3men h PHE 336 Ca 0.03 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 3men h PHE 336 Cb 1.03 -0.37 -0.04 0.00 2.79 0.00 0.00 35.95 39.36 3men h PHE 336 CO 0.05 0.71 0.09 0.41 -2.23 0.00 0.00 178.31 177.34 3men n GLY 337 N -1.35 2.31 0.77 2.40 0.00 -0.60 -4.52 105.19 104.20 3men n GLY 337 Ca 0.10 -0.28 0.10 0.00 0.00 0.00 0.00 46.02 45.93 3men n GLY 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32