#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2mya s LEU 2 N 0.00 3.86 1.05 1.34 1.02 -1.26 -5.03 118.68 119.65 2mya s LEU 2 Ca 0.00 2.45 -0.16 0.00 0.02 0.00 0.00 54.13 56.45 2mya s LEU 2 Cb 0.00 -4.36 0.22 0.00 0.02 0.00 0.00 46.19 42.06 2mya s LEU 2 CO 0.00 -1.30 1.16 -0.94 0.02 0.00 0.00 176.35 175.29 2mya s SER 3 N -1.33 2.29 0.18 2.29 1.04 -1.26 -4.86 113.70 112.06 2mya s SER 3 Ca 0.70 0.72 -0.09 0.00 0.48 0.00 0.00 55.95 57.76 2mya s SER 3 Cb -0.32 -1.07 0.08 0.00 0.10 0.00 0.00 66.02 64.81 2mya s SER 3 CO 0.38 -3.29 1.64 -0.08 0.98 0.00 0.00 173.24 172.87 2mya h GLU 4 N -2.01 1.07 -0.81 4.02 4.57 -1.99 0.23 114.58 119.66 2mya h GLU 4 Ca -0.48 -0.35 0.01 0.00 -1.18 0.00 0.00 59.36 57.36 2mya h GLU 4 Cb 1.30 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.75 2mya h GLU 4 CO 0.46 1.05 0.53 0.78 -1.18 0.00 0.00 179.01 180.65 2mya h GLY 5 N 0.98 1.14 0.95 1.92 0.00 -1.99 -0.94 103.07 105.13 2mya h GLY 5 Ca 0.17 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 2mya h GLY 5 CO 0.03 0.42 0.16 0.83 0.00 0.00 0.00 176.54 177.98 2mya h GLU 6 N 1.10 0.66 -0.70 4.80 5.08 -1.71 -1.89 114.58 121.92 2mya h GLU 6 Ca 0.30 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2mya h GLU 6 Cb -0.12 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 28.99 2mya h GLU 6 CO -0.06 0.62 0.46 -1.49 -1.00 0.00 0.00 179.01 177.54 2mya h TRP 7 N 0.56 0.87 -0.70 4.33 4.06 -0.77 -1.88 115.95 122.42 2mya h TRP 7 Ca 0.14 0.02 0.02 0.00 2.06 0.00 0.00 58.89 61.13 2mya h TRP 7 Cb 0.22 -0.29 -0.04 0.00 -1.00 0.00 0.00 29.16 28.04 2mya h TRP 7 CO 0.00 0.54 0.45 0.37 -3.56 0.00 0.00 178.44 176.25 2mya h GLN 8 N 0.94 0.89 -0.64 0.49 5.75 -0.67 -0.35 115.11 121.51 2mya h GLN 8 Ca 0.26 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.62 2mya h GLN 8 Cb -0.09 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.23 2mya h GLN 8 CO -0.06 0.59 0.07 -0.07 -2.65 0.00 0.00 178.83 176.71 2mya h LEU 9 N 0.92 1.03 0.46 -2.39 3.38 -0.60 -2.14 115.31 115.96 2mya h LEU 9 Ca 0.27 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2mya h LEU 9 Cb -0.06 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.42 2mya h LEU 9 CO -0.08 1.04 -0.22 0.58 0.09 0.00 0.00 178.44 179.86 2mya h VAL 10 N 1.00 0.55 0.00 1.22 2.07 -0.91 -2.87 116.25 117.31 2mya h VAL 10 Ca 0.19 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.58 2mya h VAL 10 Cb 0.47 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2mya h VAL 10 CO 0.02 0.02 -0.19 -0.07 0.02 0.00 0.00 177.57 177.36 2mya h LEU 11 N -0.67 0.00 -0.19 2.57 3.38 -1.14 -0.04 115.31 119.23 2mya h LEU 11 Ca -0.06 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 2mya h LEU 11 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2mya h LEU 11 CO 0.10 0.19 -0.14 -0.74 0.09 0.00 0.00 178.44 177.95 2mya h HIS 12 N 0.00 0.50 -0.07 1.13 2.76 -1.30 -1.66 115.15 116.51 2mya h HIS 12 Ca -0.00 -0.14 -0.17 0.00 -2.20 0.00 0.00 60.37 57.86 2mya h HIS 12 Cb 0.51 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.36 2mya h HIS 12 CO 0.00 0.76 -0.70 -0.39 -1.30 0.00 0.00 177.93 176.30 2mya h VAL 13 N 0.09 1.40 -0.12 5.26 -1.51 -1.26 -3.00 116.25 117.10 2mya h VAL 13 Ca 0.04 -2.13 0.04 0.00 -1.23 0.00 0.00 66.70 63.41 2mya h VAL 13 Cb 0.66 2.11 -0.00 0.00 -2.13 0.00 0.00 31.29 31.92 2mya h VAL 13 CO 0.04 0.64 0.09 -0.25 -1.23 0.00 0.00 177.57 176.86 2mya h TRP 14 N 0.22 0.00 0.00 5.19 2.91 -0.76 -0.24 115.95 123.27 2mya h TRP 14 Ca -0.02 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.95 2mya h TRP 14 Cb 1.25 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.89 2mya h TRP 14 CO 0.03 0.00 -0.23 0.00 -1.03 0.00 0.00 178.44 177.21 2mya h ALA 15 N 1.93 1.40 -0.05 2.65 0.00 -1.16 -0.75 119.26 123.28 2mya h ALA 15 Ca 0.06 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 2mya h ALA 15 Cb 0.24 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2mya h ALA 15 CO -0.00 0.29 -0.64 0.87 0.00 0.00 0.00 179.25 179.77 2mya h LYS 16 N 0.00 0.53 -0.85 0.00 1.79 -1.13 -3.05 116.57 113.86 2mya h LYS 16 Ca -0.00 -0.50 0.19 0.00 -2.18 0.00 0.00 60.65 58.16 2mya h LYS 16 Cb 0.48 0.12 -0.06 0.00 -1.58 0.00 0.00 32.23 31.19 2mya h LYS 16 CO 0.03 1.13 0.57 0.28 -1.08 0.00 0.00 179.45 180.38 2mya h VAL 17 N 0.11 0.72 0.00 0.50 2.07 -0.62 -1.88 116.25 117.15 2mya h VAL 17 Ca -0.07 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2mya h VAL 17 Cb 1.31 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2mya h VAL 17 CO 0.13 0.07 0.00 -0.62 0.02 0.00 0.00 177.57 177.17 2mya n GLU 18 N -4.49 0.57 -0.02 1.57 1.02 -0.64 -1.56 120.64 117.10 2mya n GLU 18 Ca 0.18 0.03 0.13 0.00 -0.02 0.00 0.00 57.16 57.48 2mya n GLU 18 Cb 0.64 -1.50 0.60 0.00 -0.02 0.00 0.00 31.44 31.16 2mya n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2mya n ALA 19 N -1.14 2.60 -2.66 0.62 0.00 -0.70 -4.23 120.51 114.99 2mya n ALA 19 Ca 0.15 -0.36 -0.03 0.00 0.00 0.00 0.00 53.44 53.20 2mya n ALA 19 Cb 0.14 -1.25 0.11 0.00 0.00 0.00 0.00 19.45 18.45 2mya n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2mya n ASP 20 N -0.19 -1.12 -0.10 0.00 2.03 -0.60 -5.02 116.55 111.56 2mya n ASP 20 Ca 0.19 -1.67 0.02 0.00 0.52 0.00 0.00 54.79 53.85 2mya n ASP 20 Cb 0.26 0.97 0.33 0.00 -0.72 0.00 0.00 41.12 41.95 2mya n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2mya h VAL 21 N 0.44 1.16 0.51 5.18 2.07 -1.64 -2.77 116.25 121.20 2mya h VAL 21 Ca -0.32 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 2mya h VAL 21 Cb 1.23 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2mya h VAL 21 CO -0.07 0.16 -0.24 0.00 0.02 0.00 0.00 177.57 177.44 2mya h ALA 22 N 1.61 -0.68 -0.51 1.67 0.00 -1.91 0.98 119.26 120.42 2mya h ALA 22 Ca 0.20 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2mya h ALA 22 Cb -0.04 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2mya h ALA 22 CO -0.04 -0.85 0.30 0.78 0.00 0.00 0.00 179.25 179.45 2mya h GLY 23 N -0.76 0.73 1.00 0.00 0.00 -1.94 -1.73 103.07 100.37 2mya h GLY 23 Ca -0.07 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2mya h GLY 23 CO 0.11 0.18 0.35 0.45 0.00 0.00 0.00 176.54 177.64 2mya h HIS 24 N 0.60 0.70 -0.37 5.60 3.86 -1.29 -2.49 115.15 121.75 2mya h HIS 24 Ca 0.21 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 2mya h HIS 24 Cb 0.04 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.26 2mya h HIS 24 CO -0.07 0.45 0.24 0.78 0.86 0.00 0.00 177.93 180.19 2mya h GLY 25 N 0.74 0.53 0.00 2.45 0.00 -0.56 -0.91 103.07 105.32 2mya h GLY 25 Ca 0.20 -0.21 0.02 0.00 0.00 0.00 0.00 47.33 47.33 2mya h GLY 25 CO -0.04 0.21 -0.44 1.46 0.00 0.00 0.00 176.54 177.72 2mya h GLN 26 N 0.50 -0.54 -0.37 4.80 4.20 -1.23 -1.02 115.11 121.45 2mya h GLN 26 Ca 0.14 0.04 0.06 0.00 0.06 0.00 0.00 58.65 58.95 2mya h GLN 26 Cb -0.03 0.12 -0.06 0.00 0.30 0.00 0.00 27.48 27.82 2mya h GLN 26 CO -0.03 -0.36 0.03 -0.44 -0.67 0.00 0.00 178.83 177.37 2mya h ASP 27 N -0.56 -0.08 -0.03 1.46 3.32 -1.24 -0.23 116.42 119.05 2mya h ASP 27 Ca 0.01 0.08 0.01 0.00 0.02 0.00 0.00 57.03 57.14 2mya h ASP 27 Cb 0.59 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 2mya h ASP 27 CO -0.29 -0.01 -0.00 0.40 -1.72 0.00 0.00 179.24 177.62 2mya h ILE 28 N 0.14 0.97 -0.57 0.35 2.04 -1.06 -1.03 117.51 118.36 2mya h ILE 28 Ca 0.18 -0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.97 2mya h ILE 28 Cb 0.24 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 2mya h ILE 28 CO -0.27 0.00 0.09 -0.07 0.00 0.00 0.00 178.15 177.90 2mya h LEU 29 N 0.01 0.86 -0.93 1.44 3.38 -0.51 -1.16 115.31 118.39 2mya h LEU 29 Ca 0.02 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 2mya h LEU 29 Cb 0.02 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 2mya h LEU 29 CO -0.03 0.87 -0.13 0.40 0.09 0.00 0.00 178.44 179.64 2mya h ILE 30 N 0.86 1.25 -0.18 1.22 2.04 -1.06 -1.05 117.51 120.58 2mya h ILE 30 Ca 0.18 -1.12 -0.19 0.00 1.00 0.00 0.00 64.86 64.73 2mya h ILE 30 Cb 0.38 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 2mya h ILE 30 CO 0.01 0.37 -0.66 -0.09 0.00 0.00 0.00 178.15 177.78 2mya h ARG 31 N 0.58 0.68 -0.62 2.37 9.65 -0.85 -0.40 114.38 125.80 2mya h ARG 31 Ca 0.10 -0.49 -0.02 0.00 -1.10 0.00 0.00 59.98 58.46 2mya h ARG 31 Cb 0.56 0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 29.19 2mya h ARG 31 CO 0.04 1.11 0.30 1.25 2.80 0.00 0.00 179.97 185.47 2mya h LEU 32 N 0.50 0.81 -0.24 3.80 5.85 -1.04 -1.18 115.31 123.80 2mya h LEU 32 Ca -0.02 -0.13 -0.21 0.00 0.84 0.00 0.00 57.88 58.36 2mya h LEU 32 Cb 1.25 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 2mya h LEU 32 CO 0.13 0.72 -0.90 -0.26 -0.34 0.00 0.00 178.44 177.79 2mya h PHE 33 N 0.85 0.43 -0.06 1.25 0.04 -0.97 -1.49 116.94 116.99 2mya h PHE 33 Ca 0.21 -0.23 -0.06 0.00 2.80 0.00 0.00 57.97 60.69 2mya h PHE 33 Cb 0.12 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.22 2mya h PHE 33 CO 0.00 1.05 -0.21 0.87 -0.60 0.00 0.00 178.31 179.42 2mya h LYS 34 N 0.16 0.24 -0.36 1.51 1.57 -0.94 -3.08 116.57 115.67 2mya h LYS 34 Ca -0.06 -0.18 -0.11 0.00 -1.87 0.00 0.00 60.65 58.43 2mya h LYS 34 Cb 1.53 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.86 2mya h LYS 34 CO 0.15 0.82 -0.21 0.77 -0.57 0.00 0.00 179.45 180.40 2mya h SER 35 N -0.28 0.70 -2.53 0.86 0.02 -1.28 -3.36 113.55 107.68 2mya h SER 35 Ca -0.01 -0.24 -0.60 0.00 -0.84 0.00 0.00 61.79 60.10 2mya h SER 35 Cb 0.85 -0.19 -0.39 0.00 0.14 0.00 0.00 62.40 62.80 2mya h SER 35 CO 0.04 0.91 -0.85 1.41 -1.14 0.00 0.00 176.83 177.20 2mya n HIS 36 N -4.12 0.57 -0.02 3.45 8.25 -0.56 -5.00 115.22 117.78 2mya n HIS 36 Ca 0.00 -3.66 0.22 0.00 -0.26 0.00 0.00 57.72 54.02 2mya n HIS 36 Cb 0.41 -0.09 0.72 0.00 1.12 0.00 0.00 29.99 32.15 2mya n HIS 36 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2mya h PRO 37 N 5.33 0.00 0.00 -0.41 0.11 -1.70 0.19 132.00 135.52 2mya h PRO 37 Ca 0.21 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.32 2mya h PRO 37 Cb 0.85 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 2mya h PRO 37 CO 0.50 0.00 -0.00 1.05 -0.21 0.00 0.00 178.00 179.34 2mya h GLU 38 N 0.00 0.00 -0.06 1.05 9.09 -1.93 -1.95 114.58 120.78 2mya h GLU 38 Ca 0.28 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.54 2mya h GLU 38 Cb 1.20 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.29 2mya h GLU 38 CO -0.00 0.00 -0.63 1.79 0.05 0.00 0.00 179.01 180.21 2mya h THR 39 N 0.00 1.40 0.00 -1.06 1.35 -0.93 -3.02 112.91 110.65 2mya h THR 39 Ca -0.00 -2.06 -0.10 0.00 -0.55 0.00 0.00 66.41 63.70 2mya h THR 39 Cb 0.08 2.06 -0.01 0.00 -1.73 0.00 0.00 68.15 68.55 2mya h THR 39 CO 0.00 0.61 -0.49 0.25 -0.25 0.00 0.00 175.52 175.64 2mya h LEU 40 N 0.16 0.00 -2.63 3.87 5.85 -1.50 -2.10 115.31 118.96 2mya h LEU 40 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2mya h LEU 40 Cb 1.15 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.18 2mya h LEU 40 CO 0.10 0.49 0.00 -0.33 -0.34 0.00 0.00 178.44 178.36 2mya h GLU 41 N 0.00 0.00 0.00 1.25 4.39 -1.57 -1.79 114.58 116.86 2mya h GLU 41 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2mya h GLU 41 Cb 0.93 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 2mya h GLU 41 CO 0.06 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.54 2mya n LYS 42 N -3.61 0.15 -3.53 2.33 4.76 -0.79 -4.50 118.16 112.97 2mya n LYS 42 Ca -0.03 0.25 -0.42 0.00 -2.87 0.00 0.00 58.31 55.24 2mya n LYS 42 Cb 0.08 -1.72 -0.09 0.00 -1.84 0.00 0.00 35.03 31.47 2mya n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2mya s PHE 43 N -3.13 3.31 0.49 2.13 0.40 -0.67 -4.92 117.98 115.58 2mya s PHE 43 Ca 0.09 -1.35 0.22 0.00 -0.60 0.00 0.00 56.93 55.29 2mya s PHE 43 Cb 0.12 -3.07 1.27 0.00 0.51 0.00 0.00 43.02 41.85 2mya s PHE 43 CO 0.46 -0.84 1.95 -0.44 0.70 0.00 0.00 175.22 177.05 2mya h ASP 44 N 8.53 0.16 1.34 1.36 3.32 -1.84 -0.81 116.42 128.48 2mya h ASP 44 Ca -0.25 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.81 2mya h ASP 44 Cb 1.09 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2mya h ASP 44 CO 0.81 0.08 0.00 -2.11 -1.72 0.00 0.00 179.24 176.30 2mya n ARG 45 N -4.41 0.24 0.00 3.56 1.85 -1.26 -3.61 116.66 113.03 2mya n ARG 45 Ca 0.13 0.24 0.01 0.00 -1.00 0.00 0.00 57.85 57.23 2mya n ARG 45 Cb 0.63 -1.80 -0.01 0.00 -1.05 0.00 0.00 32.46 30.24 2mya n ARG 45 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2mya n PHE 46 N -2.22 0.00 -0.25 2.89 3.72 -0.78 -4.80 117.46 116.02 2mya n PHE 46 Ca 0.05 0.00 0.32 0.00 -0.05 0.00 0.00 57.45 57.77 2mya n PHE 46 Cb 0.39 0.00 0.69 0.00 -0.94 0.00 0.00 39.48 39.63 2mya n PHE 46 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2mya h LYS 47 N 0.07 0.00 -0.00 -1.08 1.57 -1.23 -0.92 116.57 114.97 2mya h LYS 47 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2mya h LYS 47 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2mya h LYS 47 CO 0.00 0.00 -0.05 -2.39 -0.57 0.00 0.00 179.45 176.44 2mya n HIS 48 N -3.83 0.00 -2.81 -1.35 1.44 -1.26 -4.79 115.22 102.61 2mya n HIS 48 Ca 0.23 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.51 2mya n HIS 48 Cb 1.25 -0.17 -0.04 0.00 0.12 0.00 0.00 29.99 31.15 2mya n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2mya s LEU 49 N -2.39 4.00 -0.21 2.39 1.43 -0.35 -4.92 118.68 118.61 2mya s LEU 49 Ca 0.33 0.40 0.09 0.00 -1.03 0.00 0.00 54.13 53.92 2mya s LEU 49 Cb 0.21 -3.23 -0.21 0.00 0.03 0.00 0.00 46.19 42.98 2mya s LEU 49 CO 0.44 -0.93 -0.01 0.29 0.23 0.00 0.00 176.35 176.38 2mya n LYS 50 N 6.92 0.67 -3.93 1.70 5.02 -1.26 -4.97 118.16 122.32 2mya n LYS 50 Ca 0.07 0.10 -0.22 0.00 -2.02 0.00 0.00 58.31 56.23 2mya n LYS 50 Cb 0.48 -1.55 -0.05 0.00 -0.02 0.00 0.00 35.03 33.89 2mya n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2mya s THR 51 N -2.51 3.02 0.21 -0.18 -4.23 -1.26 -5.02 115.64 105.66 2mya s THR 51 Ca -0.21 -1.54 -0.09 0.00 -1.18 0.00 0.00 61.69 58.66 2mya s THR 51 Cb 0.07 -3.04 0.17 0.00 1.34 0.00 0.00 72.50 71.04 2mya s THR 51 CO 0.72 -0.13 1.86 -0.08 -0.54 0.00 0.00 174.62 176.46 2mya h GLU 52 N 1.36 1.08 -0.24 3.99 4.81 -1.99 -1.14 114.58 122.45 2mya h GLU 52 Ca -0.43 -0.09 0.04 0.00 -0.13 0.00 0.00 59.36 58.75 2mya h GLU 52 Cb 1.26 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 30.37 2mya h GLU 52 CO 0.62 0.75 -0.01 0.00 -0.73 0.00 0.00 179.01 179.64 2mya h ALA 53 N 1.26 0.20 -0.33 2.92 0.00 -1.98 0.18 119.26 121.52 2mya h ALA 53 Ca 0.29 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.33 2mya h ALA 53 Cb -0.06 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 2mya h ALA 53 CO -0.06 -0.43 -0.08 0.93 0.00 0.00 0.00 179.25 179.62 2mya h GLU 54 N 0.06 0.00 -0.63 0.00 5.08 -1.92 -1.85 114.58 115.32 2mya h GLU 54 Ca 0.11 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 2mya h GLU 54 Cb 0.15 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 2mya h GLU 54 CO -0.20 0.00 0.32 0.52 -1.00 0.00 0.00 179.01 178.66 2mya h MET 55 N 0.00 0.90 -0.07 2.33 2.86 -0.60 -1.47 114.93 118.88 2mya h MET 55 Ca 0.16 -0.12 0.02 0.00 -2.06 0.00 0.00 59.70 57.70 2mya h MET 55 Cb 0.24 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 2mya h MET 55 CO -0.33 0.70 0.07 0.87 1.06 0.00 0.00 176.91 179.28 2mya h LYS 56 N 0.87 0.00 -0.18 1.72 1.57 -0.39 -2.70 116.57 117.46 2mya h LYS 56 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2mya h LYS 56 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2mya h LYS 56 CO -0.03 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.85 2mya n ALA 57 N -2.39 2.50 -2.57 3.86 0.00 -0.56 -4.88 120.51 116.47 2mya n ALA 57 Ca -0.01 -0.65 -0.42 0.00 0.00 0.00 0.00 53.44 52.36 2mya n ALA 57 Cb 0.17 -1.01 -0.07 0.00 0.00 0.00 0.00 19.45 18.54 2mya n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2mya s SER 58 N -1.68 6.38 0.32 0.00 0.15 -1.02 -4.93 113.70 112.92 2mya s SER 58 Ca 0.34 0.09 0.04 0.00 0.70 0.00 0.00 55.95 57.13 2mya s SER 58 Cb 0.20 -2.30 0.53 0.00 -1.71 0.00 0.00 66.02 62.73 2mya s SER 58 CO 0.29 -0.54 1.80 -0.08 1.20 0.00 0.00 173.24 175.92 2mya h GLU 59 N 8.44 0.45 0.07 5.44 4.57 -1.89 -2.77 114.58 128.89 2mya h GLU 59 Ca -0.27 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 57.77 2mya h GLU 59 Cb 1.12 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 2mya h GLU 59 CO 0.81 0.60 -0.03 0.22 -1.18 0.00 0.00 179.01 179.42 2mya h ASP 60 N 0.42 -0.08 -0.66 1.04 3.58 -1.97 0.72 116.42 119.46 2mya h ASP 60 Ca 0.07 -0.15 0.10 0.00 0.42 0.00 0.00 57.03 57.48 2mya h ASP 60 Cb 0.52 0.02 -0.07 0.00 1.72 0.00 0.00 39.33 41.51 2mya h ASP 60 CO 0.03 0.10 0.29 0.25 -2.88 0.00 0.00 179.24 177.03 2mya h LEU 61 N -0.26 0.33 -1.58 2.28 5.85 -1.90 -1.70 115.31 118.33 2mya h LEU 61 Ca -0.01 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 2mya h LEU 61 Cb 0.22 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2mya h LEU 61 CO 0.02 0.19 0.01 0.50 -0.34 0.00 0.00 178.44 178.81 2mya h LYS 62 N 0.50 0.27 -0.12 1.25 3.64 -1.10 -0.94 116.57 120.07 2mya h LYS 62 Ca 0.33 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.55 2mya h LYS 62 Cb 0.39 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2mya h LYS 62 CO -0.29 0.29 -0.45 0.87 -2.27 0.00 0.00 179.45 177.60 2mya h LYS 63 N 0.27 0.28 0.00 1.90 1.57 -0.36 -1.80 116.57 118.43 2mya h LYS 63 Ca 0.06 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 2mya h LYS 63 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2mya h LYS 63 CO 0.00 0.68 -0.25 1.25 -0.57 0.00 0.00 179.45 180.57 2mya h HIS 64 N 0.23 0.00 -0.02 -1.35 2.76 -0.32 -2.79 115.15 113.66 2mya h HIS 64 Ca 0.02 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 2mya h HIS 64 Cb 0.89 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.85 2mya h HIS 64 CO 0.02 0.17 -0.01 0.78 -1.30 0.00 0.00 177.93 177.59 2mya h GLY 65 N 3.83 0.05 -0.38 5.26 0.00 -0.40 -2.02 103.07 109.43 2mya h GLY 65 Ca -0.01 -0.05 0.09 0.00 0.00 0.00 0.00 47.33 47.37 2mya h GLY 65 CO 0.02 0.04 -0.36 -2.08 0.00 0.00 0.00 176.54 174.16 2mya h VAL 66 N -0.34 0.16 -0.18 4.60 2.07 -1.43 -0.02 116.25 121.10 2mya h VAL 66 Ca 0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.58 2mya h VAL 66 Cb 0.42 0.16 -0.07 0.00 -1.52 0.00 0.00 31.29 30.28 2mya h VAL 66 CO 0.00 0.00 -0.30 0.74 0.02 0.00 0.00 177.57 178.03 2mya h THR 67 N -0.21 0.31 -0.14 2.57 2.02 -1.37 0.96 112.91 117.06 2mya h THR 67 Ca 0.20 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.38 2mya h THR 67 Cb 0.56 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 2mya h THR 67 CO -0.64 0.00 0.08 0.58 0.37 0.00 0.00 175.52 175.91 2mya h VAL 68 N -0.34 1.07 -0.34 3.16 2.07 -0.97 -2.24 116.25 118.66 2mya h VAL 68 Ca 0.11 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 2mya h VAL 68 Cb 0.52 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 2mya h VAL 68 CO -0.38 0.07 -0.04 -0.07 0.02 0.00 0.00 177.57 177.17 2mya h LEU 69 N 0.14 0.52 -0.53 2.57 3.38 -0.71 -1.69 115.31 118.99 2mya h LEU 69 Ca 0.05 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 2mya h LEU 69 Cb 0.04 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2mya h LEU 69 CO -0.01 0.62 0.07 0.74 0.09 0.00 0.00 178.44 179.95 2mya h THR 70 N 0.51 1.26 -0.02 0.22 2.02 -0.71 0.19 112.91 116.38 2mya h THR 70 Ca 0.10 -0.98 -0.00 0.00 0.77 0.00 0.00 66.41 66.30 2mya h THR 70 Cb 0.40 0.86 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2mya h THR 70 CO 0.02 0.35 0.01 0.00 0.37 0.00 0.00 175.52 176.27 2mya h ALA 71 N 0.97 0.03 -0.58 6.16 0.00 -1.25 -1.71 119.26 122.88 2mya h ALA 71 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2mya h ALA 71 Cb 0.43 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2mya h ALA 71 CO 0.01 -0.46 0.37 1.25 0.00 0.00 0.00 179.25 180.42 2mya h LEU 72 N -0.00 0.68 -1.13 0.00 5.85 -1.10 -2.82 115.31 116.78 2mya h LEU 72 Ca 0.01 -0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.78 2mya h LEU 72 Cb 0.03 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 40.82 2mya h LEU 72 CO -0.00 0.51 0.60 1.23 -0.34 0.00 0.00 178.44 180.44 2mya h GLY 73 N 0.78 1.39 2.00 3.75 0.00 -0.22 0.26 103.07 111.03 2mya h GLY 73 Ca 0.21 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 2mya h GLY 73 CO -0.04 0.22 -0.30 0.00 0.00 0.00 0.00 176.54 176.42 2mya h ALA 74 N 1.54 1.20 0.19 3.60 0.00 -1.16 -1.47 119.26 123.15 2mya h ALA 74 Ca 0.43 -0.27 -0.30 0.00 0.00 0.00 0.00 54.91 54.77 2mya h ALA 74 Cb 0.38 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.14 2mya h ALA 74 CO -0.19 0.37 -1.42 0.82 0.00 0.00 0.00 179.25 178.84 2mya h ILE 75 N 0.00 1.18 -0.15 0.00 2.04 -0.78 -3.33 117.51 116.46 2mya h ILE 75 Ca -0.00 -2.55 0.02 0.00 1.00 0.00 0.00 64.86 63.33 2mya h ILE 75 Cb 0.66 2.93 -0.02 0.00 -0.74 0.00 0.00 36.82 39.65 2mya h ILE 75 CO 0.04 0.78 0.02 -0.07 0.00 0.00 0.00 178.15 178.92 2mya h LEU 76 N -0.06 -0.02 0.00 1.44 3.38 -0.56 -2.40 115.31 117.09 2mya h LEU 76 Ca -0.27 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2mya h LEU 76 Cb 1.96 0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.76 2mya h LEU 76 CO 0.18 0.01 0.03 0.29 0.09 0.00 0.00 178.44 179.04 2mya n LYS 77 N -5.10 0.00 0.02 1.13 5.02 -0.60 0.09 118.16 118.72 2mya n LYS 77 Ca -0.04 0.41 0.12 0.00 -2.02 0.00 0.00 58.31 56.78 2mya n LYS 77 Cb 0.08 -1.53 0.23 0.00 -0.02 0.00 0.00 35.03 33.79 2mya n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2mya n LYS 78 N -1.40 0.11 -3.89 1.97 4.76 -0.90 -4.94 118.16 113.87 2mya n LYS 78 Ca 0.00 0.03 -0.26 0.00 -2.87 0.00 0.00 58.31 55.20 2mya n LYS 78 Cb 0.03 -1.57 -0.00 0.00 -1.84 0.00 0.00 35.03 31.65 2mya n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2mya n LYS 79 N -1.72 -3.03 0.00 1.97 5.02 0.11 -1.15 118.16 119.36 2mya n LYS 79 Ca 0.05 0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 2mya n LYS 79 Cb 0.37 -4.48 0.00 0.00 -0.02 0.00 0.00 35.03 30.91 2mya n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2mya n GLY 80 N -1.90 1.94 2.68 0.72 0.00 -1.26 -4.94 105.19 102.43 2mya n GLY 80 Ca -0.27 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 2mya n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2mya n HIS 81 N -2.00 2.75 -0.75 1.61 8.25 -0.30 -4.68 115.22 120.09 2mya n HIS 81 Ca 0.00 -2.51 0.08 0.00 -0.26 0.00 0.00 57.72 55.02 2mya n HIS 81 Cb 0.00 -1.28 0.24 0.00 1.12 0.00 0.00 29.99 30.07 2mya n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2mya n HIS 82 N 0.08 0.86 -0.27 4.41 1.44 -1.26 -4.70 115.22 115.77 2mya n HIS 82 Ca 0.50 -0.76 0.07 0.00 -2.01 0.00 0.00 57.72 55.52 2mya n HIS 82 Cb 0.26 -0.24 0.19 0.00 0.12 0.00 0.00 29.99 30.32 2mya n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 2mya h GLU 83 N 1.99 0.12 0.00 -1.40 3.07 -1.99 0.01 114.58 116.38 2mya h GLU 83 Ca 0.00 -0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 58.76 2mya h GLU 83 Cb 1.26 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.13 2mya h GLU 83 CO 0.17 0.08 -0.42 0.00 -1.40 0.00 0.00 179.01 177.43 2mya h ALA 84 N 1.74 0.76 0.00 3.43 0.00 -2.01 -2.53 119.26 120.64 2mya h ALA 84 Ca 0.45 -0.38 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 2mya h ALA 84 Cb 0.82 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2mya h ALA 84 CO -0.68 0.53 -1.04 0.93 0.00 0.00 0.00 179.25 178.98 2mya h GLU 85 N 0.00 0.00 0.00 0.00 3.07 -1.62 -3.38 114.58 112.66 2mya h GLU 85 Ca -0.00 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 58.62 2mya h GLU 85 Cb 1.25 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.12 2mya h GLU 85 CO 0.05 0.60 -1.79 -0.11 -1.40 0.00 0.00 179.01 176.36 2mya n LEU 86 N -3.16 0.58 0.14 1.33 0.00 -0.12 -4.12 117.00 111.64 2mya n LEU 86 Ca -0.04 0.26 -0.13 0.00 0.00 0.00 0.00 56.01 56.10 2mya n LEU 86 Cb 0.87 0.20 -0.07 0.00 0.00 0.00 0.00 43.42 44.42 2mya n LEU 86 CO 0.44 0.29 0.76 0.50 0.00 0.00 0.00 177.39 179.38 2mya h LYS 87 N 0.00 -0.35 -0.96 1.96 3.11 -1.62 -1.55 116.57 117.15 2mya h LYS 87 Ca -0.28 0.02 0.02 0.00 -2.81 0.00 0.00 60.65 57.61 2mya h LYS 87 Cb 1.82 0.08 -0.05 0.00 -1.00 0.00 0.00 32.23 33.08 2mya h LYS 87 CO 0.05 -0.23 0.63 -1.35 -2.81 0.00 0.00 179.45 175.74 2mya h PRO 88 N -0.36 1.22 -0.29 1.90 0.11 -1.78 -2.54 132.00 130.25 2mya h PRO 88 Ca -0.00 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 2mya h PRO 88 Cb 0.33 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 2mya h PRO 88 CO -0.02 0.81 0.12 1.25 -0.21 0.00 0.00 178.00 179.94 2mya h LEU 89 N 1.26 0.39 -0.60 2.35 6.46 -1.53 -2.64 115.31 121.00 2mya h LEU 89 Ca 0.37 -0.16 -0.11 0.00 -0.12 0.00 0.00 57.88 57.86 2mya h LEU 89 Cb -0.06 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 39.75 2mya h LEU 89 CO -0.10 0.45 -0.09 0.00 -0.62 0.00 0.00 178.44 178.08 2mya h ALA 90 N 0.96 0.80 -0.63 1.25 0.00 -1.18 -1.38 119.26 119.09 2mya h ALA 90 Ca 0.10 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2mya h ALA 90 Cb 0.18 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2mya h ALA 90 CO -0.01 0.67 0.24 1.96 0.00 0.00 0.00 179.25 182.11 2mya h GLN 91 N 0.91 0.95 -0.01 0.00 4.20 -1.42 -1.12 115.11 118.63 2mya h GLN 91 Ca 0.15 -0.18 -0.24 0.00 0.06 0.00 0.00 58.65 58.44 2mya h GLN 91 Cb 0.65 -0.15 0.02 0.00 0.30 0.00 0.00 27.48 28.29 2mya h GLN 91 CO 0.04 0.81 -0.93 1.03 -0.67 0.00 0.00 178.83 179.12 2mya h SER 92 N 0.89 0.84 0.91 1.46 0.87 -1.45 -1.46 113.55 115.62 2mya h SER 92 Ca 0.21 -0.73 -0.10 0.00 -1.23 0.00 0.00 61.79 59.93 2mya h SER 92 Cb 0.22 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 2mya h SER 92 CO -0.02 1.46 -0.50 0.45 -0.53 0.00 0.00 176.83 177.69 2mya h HIS 93 N 0.30 0.00 0.00 2.24 3.86 -1.12 0.25 115.15 120.68 2mya h HIS 93 Ca -0.11 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.09 2mya h HIS 93 Cb 1.59 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.06 2mya h HIS 93 CO 0.11 0.50 -0.06 0.00 0.86 0.00 0.00 177.93 179.34 2mya h ALA 94 N 1.50 0.01 0.03 2.45 0.00 -1.30 0.18 119.26 122.12 2mya h ALA 94 Ca -0.00 -0.18 -0.29 0.00 0.00 0.00 0.00 54.91 54.44 2mya h ALA 94 Cb 1.09 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 2mya h ALA 94 CO 0.06 0.05 -1.62 1.79 0.00 0.00 0.00 179.25 179.53 2mya h THR 95 N -1.00 0.98 0.00 0.00 1.35 -1.32 -3.31 112.91 109.61 2mya h THR 95 Ca -0.01 -2.77 -0.43 0.00 -0.55 0.00 0.00 66.41 62.65 2mya h THR 95 Cb 0.30 2.54 -0.07 0.00 -1.73 0.00 0.00 68.15 69.19 2mya h THR 95 CO -0.00 0.65 -2.48 1.17 -0.25 0.00 0.00 175.52 174.61 2mya n LYS 96 N -3.20 0.58 0.11 4.72 4.81 -0.28 -4.65 118.16 120.25 2mya n LYS 96 Ca -0.16 0.22 0.06 0.00 -0.87 0.00 0.00 58.31 57.56 2mya n LYS 96 Cb 1.03 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 34.62 2mya n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2mya h HIS 97 N -0.69 0.00 -4.49 5.64 3.86 -0.69 -3.49 115.15 115.29 2mya h HIS 97 Ca -0.65 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.34 2mya h HIS 97 Cb 1.67 0.00 0.12 0.00 1.06 0.00 0.00 27.41 30.26 2mya h HIS 97 CO -0.05 0.29 -0.53 1.63 0.86 0.00 0.00 177.93 180.13 2mya n LYS 98 N -2.93 -4.34 -3.51 2.45 4.76 0.10 -5.00 118.16 109.69 2mya n LYS 98 Ca -0.02 0.58 -0.42 0.00 -2.87 0.00 0.00 58.31 55.58 2mya n LYS 98 Cb 0.68 -4.77 -0.10 0.00 -1.84 0.00 0.00 35.03 29.00 2mya n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2mya s ILE 99 N -3.25 4.86 0.90 -0.18 -1.09 0.39 -5.02 121.20 117.81 2mya s ILE 99 Ca 0.02 -0.94 -0.11 0.00 -2.23 0.00 0.00 60.65 57.38 2mya s ILE 99 Cb -0.00 -3.80 0.12 0.00 -1.58 0.00 0.00 42.46 37.20 2mya s ILE 99 CO 0.50 -0.38 1.06 -0.81 -1.23 0.00 0.00 174.94 174.08 2mya n PRO 100 N 5.08 -0.29 -0.34 2.79 -0.04 -1.26 -4.71 135.00 136.23 2mya n PRO 100 Ca -0.11 -0.02 -0.02 0.00 -0.04 0.00 0.00 63.50 63.31 2mya n PRO 100 Cb 0.45 -2.32 0.13 0.00 -0.04 0.00 0.00 33.50 31.72 2mya n PRO 100 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2mya h ILE 101 N -1.62 1.25 -1.03 0.52 1.08 -0.59 -2.25 117.51 114.87 2mya h ILE 101 Ca -0.44 -0.49 0.26 0.00 -0.39 0.00 0.00 64.86 63.80 2mya h ILE 101 Cb 1.28 -0.10 -0.09 0.00 -3.07 0.00 0.00 36.82 34.83 2mya h ILE 101 CO 0.41 0.25 0.66 0.50 -0.69 0.00 0.00 178.15 179.28 2mya h LYS 102 N 1.28 0.42 0.00 2.37 1.63 -1.91 0.73 116.57 121.08 2mya h LYS 102 Ca 0.34 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 60.02 2mya h LYS 102 Cb -0.11 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.41 2mya h LYS 102 CO -0.07 0.28 -0.47 1.88 -3.45 0.00 0.00 179.45 177.62 2mya h TYR 103 N 0.43 0.00 -0.17 1.91 -1.99 -1.76 -1.10 116.97 114.29 2mya h TYR 103 Ca 0.59 0.00 -0.15 0.00 2.00 0.00 0.00 58.73 61.17 2mya h TYR 103 Cb 1.43 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.15 2mya h TYR 103 CO -0.00 0.47 -0.53 -0.07 -0.00 0.00 0.00 178.16 178.02 2mya h LEU 104 N 0.00 0.54 -0.35 3.88 3.38 0.41 -1.58 115.31 121.59 2mya h LEU 104 Ca -0.00 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.73 2mya h LEU 104 Cb 0.91 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 2mya h LEU 104 CO 0.06 0.97 0.11 -0.08 0.09 0.00 0.00 178.44 179.58 2mya h GLU 105 N 0.38 0.24 -0.06 1.13 4.81 -0.88 -1.74 114.58 118.46 2mya h GLU 105 Ca 0.01 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 2mya h GLU 105 Cb 1.05 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.34 2mya h GLU 105 CO 0.10 0.16 -0.13 0.74 -0.73 0.00 0.00 179.01 179.14 2mya h PHE 106 N 0.24 -0.33 -0.69 0.92 0.04 -0.94 -2.02 116.94 114.18 2mya h PHE 106 Ca 0.16 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.89 2mya h PHE 106 Cb 0.15 0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.43 2mya h PHE 106 CO -0.16 -0.19 0.19 0.97 -0.60 0.00 0.00 178.31 178.52 2mya h ILE 107 N -0.19 1.26 -0.84 -0.55 2.10 -1.12 -1.66 117.51 116.51 2mya h ILE 107 Ca 0.07 -0.92 0.19 0.00 1.08 0.00 0.00 64.86 65.28 2mya h ILE 107 Cb 0.28 0.53 -0.15 0.00 -1.09 0.00 0.00 36.82 36.38 2mya h ILE 107 CO -0.17 0.35 -0.07 0.28 -1.08 0.00 0.00 178.15 177.46 2mya h SER 108 N 1.03 -0.54 0.79 2.19 0.02 -0.97 -1.43 113.55 114.64 2mya h SER 108 Ca 0.22 0.24 -0.08 0.00 -0.84 0.00 0.00 61.79 61.33 2mya h SER 108 Cb 0.33 0.44 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 2mya h SER 108 CO -0.00 -0.25 -0.37 -0.33 -1.14 0.00 0.00 176.83 174.74 2mya h GLU 109 N 0.05 0.00 -0.12 3.45 4.39 -0.62 -1.42 114.58 120.30 2mya h GLU 109 Ca 0.45 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.96 2mya h GLU 109 Cb 0.79 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.45 2mya h GLU 109 CO -0.80 0.37 -0.68 0.00 -1.16 0.00 0.00 179.01 176.74 2mya h ALA 110 N 1.63 0.25 -0.17 3.43 0.00 -0.78 -1.42 119.26 122.20 2mya h ALA 110 Ca -0.00 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2mya h ALA 110 Cb 0.86 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2mya h ALA 110 CO 0.05 0.55 0.11 0.82 0.00 0.00 0.00 179.25 180.78 2mya h ILE 111 N 0.35 1.03 -0.68 0.00 2.04 -0.81 -1.04 117.51 118.41 2mya h ILE 111 Ca -0.05 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 65.75 2mya h ILE 111 Cb 1.32 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 38.16 2mya h ILE 111 CO 0.14 0.04 0.44 0.40 0.00 0.00 0.00 178.15 179.17 2mya h ILE 112 N 0.22 1.14 -0.27 -0.67 2.04 -1.14 -0.63 117.51 118.20 2mya h ILE 112 Ca 0.06 -0.30 0.03 0.00 1.00 0.00 0.00 64.86 65.65 2mya h ILE 112 Cb -0.02 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.21 2mya h ILE 112 CO -0.02 0.16 0.09 -0.74 0.00 0.00 0.00 178.15 177.64 2mya h HIS 113 N 0.88 0.17 -0.38 1.37 2.76 -1.04 -2.08 115.15 116.82 2mya h HIS 113 Ca 0.26 0.01 -0.14 0.00 -2.20 0.00 0.00 60.37 58.31 2mya h HIS 113 Cb -0.05 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 28.86 2mya h HIS 113 CO -0.03 0.08 -0.29 0.28 -1.30 0.00 0.00 177.93 176.66 2mya h VAL 114 N 0.21 1.28 -0.70 5.26 2.07 -0.33 -2.23 116.25 121.82 2mya h VAL 114 Ca 0.12 -1.46 0.05 0.00 0.82 0.00 0.00 66.70 66.23 2mya h VAL 114 Cb 0.09 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 2mya h VAL 114 CO -0.12 0.49 0.41 -0.07 0.02 0.00 0.00 177.57 178.29 2mya h LEU 115 N 0.68 0.63 0.21 2.57 3.38 -0.99 -1.67 115.31 120.10 2mya h LEU 115 Ca 0.07 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2mya h LEU 115 Cb 0.87 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2mya h LEU 115 CO 0.08 0.41 -0.21 -0.74 0.09 0.00 0.00 178.44 178.07 2mya h HIS 116 N 0.76 -0.55 -0.79 1.13 2.76 -1.33 -1.33 115.15 115.80 2mya h HIS 116 Ca 0.31 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.50 2mya h HIS 116 Cb 0.15 0.21 -0.04 0.00 1.55 0.00 0.00 27.41 29.29 2mya h HIS 116 CO -0.06 -0.31 0.52 0.77 -1.30 0.00 0.00 177.93 177.55 2mya h SER 117 N -0.45 0.88 0.57 3.26 0.02 -0.92 -3.02 113.55 113.90 2mya h SER 117 Ca 0.00 -0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 60.80 2mya h SER 117 Cb 0.42 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 2mya h SER 117 CO -0.05 0.63 -1.53 0.54 -1.14 0.00 0.00 176.83 175.27 2mya n ARG 118 N -4.43 0.63 -2.65 3.45 1.74 -0.67 -4.64 116.66 110.08 2mya n ARG 118 Ca 0.09 0.12 -0.12 0.00 -0.77 0.00 0.00 57.85 57.17 2mya n ARG 118 Cb 0.06 -1.74 0.02 0.00 -1.02 0.00 0.00 32.46 29.79 2mya n ARG 118 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2mya n HIS 119 N -2.74 1.46 -0.32 -1.55 8.25 -0.50 -4.97 115.22 114.84 2mya n HIS 119 Ca -0.10 -2.88 -0.08 0.00 -0.26 0.00 0.00 57.72 54.41 2mya n HIS 119 Cb 0.78 -0.34 -0.04 0.00 1.12 0.00 0.00 29.99 31.51 2mya n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2mya h PRO 120 N 2.94 -0.09 0.00 -0.41 0.13 -1.72 0.98 132.00 133.83 2mya h PRO 120 Ca -0.04 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.10 2mya h PRO 120 Cb 1.13 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 2mya h PRO 120 CO 0.55 -0.06 -0.03 0.78 -0.23 0.00 0.00 178.00 179.01 2mya h GLY 121 N -0.10 0.00 -0.91 1.56 0.00 -1.93 0.70 103.07 102.38 2mya h GLY 121 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 2mya h GLY 121 CO -0.85 0.00 -0.30 1.22 0.00 0.00 0.00 176.54 176.61 2mya n ASP 122 N -3.39 1.86 -2.78 0.19 8.00 -0.48 -4.66 116.55 115.29 2mya n ASP 122 Ca -0.02 -1.43 -0.24 0.00 0.71 0.00 0.00 54.79 53.81 2mya n ASP 122 Cb 0.15 0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 41.62 2mya n ASP 122 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2mya n PHE 123 N 0.10 3.01 -0.88 1.24 7.35 0.24 -4.78 117.46 123.73 2mya n PHE 123 Ca 0.08 -3.53 -0.30 0.00 -0.76 0.00 0.00 57.45 52.94 2mya n PHE 123 Cb 0.38 -0.33 0.25 0.00 0.35 0.00 0.00 39.48 40.13 2mya n PHE 123 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 2mya s GLY 124 N -3.32 1.54 0.37 7.13 0.00 -1.22 -4.60 107.32 107.21 2mya s GLY 124 Ca 0.45 -0.79 0.16 0.00 0.00 0.00 0.00 44.72 44.53 2mya s GLY 124 CO -0.13 0.08 1.76 0.00 0.00 0.00 0.00 173.10 174.81 2mya h ALA 125 N -2.72 2.09 -0.46 3.20 0.00 -1.97 -0.35 119.26 119.06 2mya h ALA 125 Ca -0.47 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 2mya h ALA 125 Cb 1.31 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2mya h ALA 125 CO 0.37 -0.51 -0.22 0.38 0.00 0.00 0.00 179.25 179.27 2mya h ASP 126 N 0.46 0.96 -0.32 0.00 2.03 -1.99 0.93 116.42 118.49 2mya h ASP 126 Ca 0.61 -0.36 -0.11 0.00 -0.73 0.00 0.00 57.03 56.43 2mya h ASP 126 Cb 1.40 -0.26 -0.01 0.00 -0.83 0.00 0.00 39.33 39.63 2mya h ASP 126 CO -0.34 1.13 -0.23 0.00 -1.03 0.00 0.00 179.24 178.77 2mya h ALA 127 N 0.93 0.47 -0.47 4.15 0.00 -1.76 -2.22 119.26 120.36 2mya h ALA 127 Ca 0.11 -0.38 0.10 0.00 0.00 0.00 0.00 54.91 54.73 2mya h ALA 127 Cb 0.78 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.37 2mya h ALA 127 CO 0.06 0.44 -0.18 1.96 0.00 0.00 0.00 179.25 181.54 2mya h GLN 128 N 0.50 -0.08 -0.35 0.00 4.20 -0.98 0.10 115.11 118.50 2mya h GLN 128 Ca 0.06 0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.70 2mya h GLN 128 Cb 0.79 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.57 2mya h GLN 128 CO 0.06 -0.05 -0.12 0.78 -0.67 0.00 0.00 178.83 178.83 2mya h GLY 129 N -0.08 0.66 0.86 3.46 0.00 -0.69 -1.66 103.07 105.63 2mya h GLY 129 Ca 0.22 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 2mya h GLY 129 CO -0.52 0.44 -0.12 0.00 0.00 0.00 0.00 176.54 176.34 2mya h ALA 130 N 1.31 0.35 -0.73 3.60 0.00 -1.10 -1.59 119.26 121.11 2mya h ALA 130 Ca 0.10 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2mya h ALA 130 Cb 0.54 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2mya h ALA 130 CO 0.03 0.22 0.27 1.98 0.00 0.00 0.00 179.25 181.75 2mya h MET 131 N 0.25 1.10 -0.48 0.00 -1.53 -0.96 -1.76 114.93 111.55 2mya h MET 131 Ca 0.06 -0.21 0.03 0.00 -3.44 0.00 0.00 59.70 56.14 2mya h MET 131 Cb 0.63 -0.17 -0.04 0.00 -0.55 0.00 0.00 31.60 31.47 2mya h MET 131 CO 0.04 0.92 0.26 -0.97 0.14 0.00 0.00 176.91 177.29 2mya h ASN 132 N 1.05 0.40 -0.40 1.39 -1.24 -1.26 -1.14 115.58 114.37 2mya h ASN 132 Ca 0.24 0.02 -0.02 0.00 0.71 0.00 0.00 56.30 57.24 2mya h ASN 132 Cb 0.24 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.21 2mya h ASN 132 CO -0.02 0.28 0.19 0.11 -1.29 0.00 0.00 177.43 176.70 2mya h LYS 133 N 0.52 0.64 -0.24 6.67 1.57 -0.88 -0.83 116.57 124.01 2mya h LYS 133 Ca 0.20 -0.08 -0.18 0.00 -1.87 0.00 0.00 60.65 58.72 2mya h LYS 133 Cb 0.07 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2mya h LYS 133 CO -0.12 0.52 -0.56 0.00 -0.57 0.00 0.00 179.45 178.72 2mya h ALA 134 N 1.57 0.40 0.00 3.86 0.00 -0.96 -1.97 119.26 122.16 2mya h ALA 134 Ca 0.16 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 2mya h ALA 134 Cb 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2mya h ALA 134 CO -0.02 0.62 -0.26 -0.07 0.00 0.00 0.00 179.25 179.53 2mya h LEU 135 N 0.57 0.00 -0.18 0.00 3.38 -1.02 -2.25 115.31 115.81 2mya h LEU 135 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2mya h LEU 135 Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 2mya h LEU 135 CO 0.12 0.26 -0.24 -0.33 0.09 0.00 0.00 178.44 178.34 2mya h GLU 136 N 0.00 0.48 -0.26 1.13 5.08 -1.11 -2.06 114.58 117.83 2mya h GLU 136 Ca -0.00 -0.28 0.06 0.00 -1.00 0.00 0.00 59.36 58.14 2mya h GLU 136 Cb 0.91 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 30.11 2mya h GLU 136 CO 0.03 0.87 -0.18 1.25 -1.00 0.00 0.00 179.01 179.98 2mya h LEU 137 N 0.12 -0.60 -0.67 1.33 5.85 -1.31 0.21 115.31 120.24 2mya h LEU 137 Ca 0.02 0.12 0.12 0.00 0.84 0.00 0.00 57.88 58.98 2mya h LEU 137 Cb 0.81 0.30 -0.12 0.00 0.37 0.00 0.00 40.66 42.02 2mya h LEU 137 CO 0.06 -0.22 -0.32 0.15 -0.34 0.00 0.00 178.44 177.77 2mya h PHE 138 N -0.17 -0.86 0.00 1.25 3.57 -1.42 -1.90 116.94 117.41 2mya h PHE 138 Ca 0.14 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.72 2mya h PHE 138 Cb 0.39 0.48 0.00 0.00 2.79 0.00 0.00 35.95 39.61 2mya h PHE 138 CO -0.36 -0.38 0.00 0.07 -2.23 0.00 0.00 178.31 175.42 2mya h ARG 139 N -0.12 0.00 0.00 1.11 0.11 -0.97 -1.86 114.38 112.65 2mya h ARG 139 Ca 0.27 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 60.15 2mya h ARG 139 Cb 0.56 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.62 2mya h ARG 139 CO -0.73 0.00 -0.86 -0.22 0.10 0.00 0.00 179.97 178.25 2mya h LYS 140 N 0.00 0.17 0.14 0.08 3.64 -0.26 -0.44 116.57 119.90 2mya h LYS 140 Ca 0.00 -0.19 -0.32 0.00 -1.27 0.00 0.00 60.65 58.87 2mya h LYS 140 Cb 0.93 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.80 2mya h LYS 140 CO 0.00 0.93 -1.60 -0.44 -2.27 0.00 0.00 179.45 176.07 2mya h ASP 141 N 0.10 0.46 -0.07 4.20 3.32 -0.76 -2.80 116.42 120.87 2mya h ASP 141 Ca -0.04 -0.66 0.01 0.00 0.02 0.00 0.00 57.03 56.37 2mya h ASP 141 Cb 1.49 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.88 2mya h ASP 141 CO 0.13 1.55 -0.02 0.40 -1.72 0.00 0.00 179.24 179.58 2mya h ILE 142 N 0.08 0.93 -0.47 0.35 1.08 -1.36 -2.13 117.51 115.99 2mya h ILE 142 Ca -0.27 -0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.24 2mya h ILE 142 Cb 2.04 0.93 -0.03 0.00 -3.07 0.00 0.00 36.82 36.70 2mya h ILE 142 CO 0.17 0.00 0.32 0.00 -0.69 0.00 0.00 178.15 177.95 2mya h ALA 143 N 1.07 1.85 0.00 1.87 0.00 -1.07 -0.70 119.26 122.28 2mya h ALA 143 Ca 0.03 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2mya h ALA 143 Cb 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2mya h ALA 143 CO -0.07 0.08 -0.49 0.00 0.00 0.00 0.00 179.25 178.77 2mya h ALA 144 N 1.73 1.13 -0.07 0.00 0.00 -1.11 -0.13 119.26 120.82 2mya h ALA 144 Ca 0.20 -0.45 -0.21 0.00 0.00 0.00 0.00 54.91 54.46 2mya h ALA 144 Cb 0.20 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.93 2mya h ALA 144 CO -0.05 0.61 -0.76 0.87 0.00 0.00 0.00 179.25 179.92 2mya h LYS 145 N 0.00 0.63 -0.34 0.00 6.56 -1.12 -2.15 116.57 120.16 2mya h LYS 145 Ca -0.00 -0.59 0.04 0.00 -1.06 0.00 0.00 60.65 59.03 2mya h LYS 145 Cb 0.90 0.15 -0.04 0.00 -0.57 0.00 0.00 32.23 32.67 2mya h LYS 145 CO 0.06 1.20 0.11 1.88 -2.06 0.00 0.00 179.45 180.65 2mya h TYR 146 N 0.28 0.20 -0.39 -1.35 -1.99 -0.95 -1.69 116.97 111.07 2mya h TYR 146 Ca -0.08 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.67 2mya h TYR 146 Cb 1.42 -0.04 -0.02 0.00 2.00 0.00 0.00 36.73 40.09 2mya h TYR 146 CO 0.11 0.08 0.25 -0.22 -0.00 0.00 0.00 178.16 178.38 2mya h LYS 147 N 0.25 0.52 -0.59 4.88 3.64 -1.02 0.14 116.57 124.39 2mya h LYS 147 Ca 0.15 -0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.61 2mya h LYS 147 Cb 0.13 -0.11 -0.11 0.00 -0.41 0.00 0.00 32.23 31.72 2mya h LYS 147 CO -0.16 0.36 -0.23 1.49 -2.27 0.00 0.00 179.45 178.64 2mya h GLU 148 N 0.52 -0.08 0.00 1.90 4.81 -1.04 -2.29 114.58 118.42 2mya h GLU 148 Ca 0.14 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2mya h GLU 148 Cb -0.04 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.36 2mya h GLU 148 CO -0.03 -0.05 0.00 1.28 -0.73 0.00 0.00 179.01 179.48 2mya n LEU 149 N -5.43 0.00 0.00 1.64 4.77 -0.67 -4.88 117.00 112.43 2mya n LEU 149 Ca 0.06 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.47 2mya n LEU 149 Cb 0.34 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2mya n LEU 149 CO 0.04 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 2mya n GLY 150 N 1.24 0.78 0.61 -0.72 0.00 -0.34 -4.96 105.19 101.79 2mya n GLY 150 Ca 0.09 -0.35 0.06 0.00 0.00 0.00 0.00 46.02 45.81 2mya n GLY 150 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2mya n TYR 151 N -2.37 0.37 -1.41 1.61 4.02 -0.11 -5.00 117.16 114.26 2mya n TYR 151 Ca 0.00 -0.40 -0.50 0.00 -0.01 0.00 0.00 57.90 56.99 2mya n TYR 151 Cb 0.00 -0.02 -0.09 0.00 -0.02 0.00 0.00 39.34 39.21 2mya n TYR 151 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 2mya n GLN 152 N 0.55 0.60 0.00 -0.72 -0.06 -1.15 -4.82 117.38 111.78 2mya n GLN 152 Ca 0.11 0.14 0.00 0.00 -2.00 0.00 0.00 57.00 55.24 2mya n GLN 152 Cb 0.40 -2.14 0.00 0.00 -4.06 0.00 0.00 30.24 24.44 2mya n GLN 152 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27