#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bkw h LEU 25 N 0.00 0.79 -1.76 0.99 3.38 -1.95 -2.41 115.31 114.36 3bkw h LEU 25 Ca 0.00 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.92 3bkw h LEU 25 Cb 0.00 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3bkw h LEU 25 CO 0.00 0.66 0.21 0.44 0.09 0.00 0.00 178.44 179.85 3bkw h ASP 26 N 0.88 0.27 0.70 -0.43 5.19 -2.02 -2.47 116.42 118.55 3bkw h ASP 26 Ca 0.22 -0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.47 3bkw h ASP 26 Cb 0.07 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.50 3bkw h ASP 26 CO -0.03 0.19 -0.75 1.23 -3.12 0.00 0.00 179.24 176.76 3bkw h GLY 27 N 0.32 0.04 -6.82 2.75 0.00 -1.94 -3.44 103.07 93.98 3bkw h GLY 27 Ca 0.13 -0.07 -0.57 0.00 0.00 0.00 0.00 47.33 46.82 3bkw h GLY 27 CO -0.03 0.06 1.14 0.00 0.00 0.00 0.00 176.54 177.71 3bkw s ALA 28 N -3.33 2.99 0.39 3.60 0.00 -0.93 -4.91 121.76 119.57 3bkw s ALA 28 Ca -0.01 -0.02 0.09 0.00 0.00 0.00 0.00 51.96 52.02 3bkw s ALA 28 Cb 0.12 -3.97 0.86 0.00 0.00 0.00 0.00 23.12 20.13 3bkw s ALA 28 CO 0.79 -2.47 1.95 0.00 0.00 0.00 0.00 175.76 176.02 3bkw h ALA 29 N 11.41 1.85 0.00 0.00 0.00 -1.86 -2.01 119.26 128.65 3bkw h ALA 29 Ca -0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3bkw h ALA 29 Cb 1.13 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3bkw h ALA 29 CO 1.07 0.00 -0.07 -0.85 0.00 0.00 0.00 179.25 179.40 3bkw n GLU 30 N -4.49 0.06 0.10 0.00 0.00 -1.26 -4.34 120.64 110.71 3bkw n GLU 30 Ca 0.12 0.04 -0.12 0.00 0.00 0.00 0.00 57.16 57.20 3bkw n GLU 30 Cb 0.33 -1.56 -0.05 0.00 0.00 0.00 0.00 31.44 30.16 3bkw n GLU 30 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.13 179.48 3bkw h TRP 31 N 0.00 -0.50 -0.86 -1.84 2.91 -1.64 -1.25 115.95 112.77 3bkw h TRP 31 Ca 0.00 0.01 0.12 0.00 1.13 0.00 0.00 58.89 60.15 3bkw h TRP 31 Cb 0.55 0.21 -0.08 0.00 -0.51 0.00 0.00 29.16 29.33 3bkw h TRP 31 CO 0.00 -0.28 0.48 -1.35 -1.03 0.00 0.00 178.44 176.26 3bkw h PRO 32 N -0.36 0.72 -0.48 2.65 0.11 -1.77 0.69 132.00 133.57 3bkw h PRO 32 Ca 0.03 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 3bkw h PRO 32 Cb 0.38 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.31 3bkw h PRO 32 CO -0.12 0.48 0.25 0.00 -0.21 0.00 0.00 178.00 178.40 3bkw h ALA 33 N 1.51 0.61 -0.32 -0.75 0.00 -1.77 -0.22 119.26 118.32 3bkw h ALA 33 Ca 0.44 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 3bkw h ALA 33 Cb 0.51 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3bkw h ALA 33 CO -0.30 0.15 -0.21 1.25 0.00 0.00 0.00 179.25 180.15 3bkw h LEU 34 N 0.63 0.74 -0.75 0.00 5.85 -0.44 -3.05 115.31 118.30 3bkw h LEU 34 Ca 0.17 -0.43 0.06 0.00 0.84 0.00 0.00 57.88 58.51 3bkw h LEU 34 Cb 0.08 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 3bkw h LEU 34 CO -0.02 1.01 0.44 -0.09 -0.34 0.00 0.00 178.44 179.44 3bkw h ARG 35 N 0.47 0.79 -2.00 1.25 2.43 0.48 -3.04 114.38 114.77 3bkw h ARG 35 Ca 0.07 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3bkw h ARG 35 Cb 0.76 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 3bkw h ARG 35 CO 0.06 0.53 0.00 0.00 -1.51 0.00 0.00 179.97 179.04 3bkw n ALA 36 N -2.35 1.50 -0.93 2.80 0.00 -0.10 -4.82 120.51 116.61 3bkw n ALA 36 Ca 0.10 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.55 3bkw n ALA 36 Cb 0.17 -1.49 -0.00 0.00 0.00 0.00 0.00 19.45 18.13 3bkw n ALA 36 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3bkw n LEU 38 N 1.49 -0.17 -4.79 0.00 4.77 -1.15 -5.10 117.00 112.04 3bkw n LEU 38 Ca 0.00 0.31 -0.29 0.00 -0.03 0.00 0.00 56.01 56.00 3bkw n LEU 38 Cb 0.00 -1.69 0.15 0.00 -2.33 0.00 0.00 43.42 39.54 3bkw n LEU 38 CO 0.00 -0.14 0.73 -2.16 -1.33 0.00 0.00 177.39 174.49 3bkw s PRO 39 N -4.40 0.90 0.11 3.23 0.04 -1.26 -4.96 135.00 128.66 3bkw s PRO 39 Ca 0.00 0.17 -0.31 0.00 0.04 0.00 0.00 61.00 60.90 3bkw s PRO 39 Cb 0.00 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.62 3bkw s PRO 39 CO 0.00 -2.33 1.68 -1.21 0.04 0.00 0.00 177.00 175.18 3bkw s GLU 40 N -5.37 4.18 0.03 4.56 0.41 -1.26 -4.91 118.70 116.35 3bkw s GLU 40 Ca 0.65 2.41 0.26 0.00 -0.41 0.00 0.00 54.97 57.88 3bkw s GLU 40 Cb -0.13 -3.48 0.61 0.00 -1.78 0.00 0.00 34.13 29.35 3bkw s GLU 40 CO 0.53 -0.74 1.50 1.33 -0.49 0.00 0.00 175.26 177.39 3bkw n VAL 41 N 4.54 0.10 -1.68 2.63 0.24 -1.26 -4.84 118.33 118.05 3bkw n VAL 41 Ca 0.16 -0.07 -0.45 0.00 -2.04 0.00 0.00 64.34 61.94 3bkw n VAL 41 Cb 0.39 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.73 3bkw n VAL 41 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3bkw n GLY 42 N 1.46 1.47 2.48 7.63 0.00 -1.23 -2.13 105.19 114.87 3bkw n GLY 42 Ca 0.05 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.81 3bkw n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bkw n GLY 43 N 4.05 0.53 3.91 -0.02 0.00 0.11 -4.88 105.19 108.88 3bkw n GLY 43 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 3bkw n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bkw s LEU 44 N 0.00 4.08 -0.25 0.99 1.43 -0.91 -4.35 118.68 119.67 3bkw s LEU 44 Ca 0.00 0.64 -0.14 0.00 -1.03 0.00 0.00 54.13 53.60 3bkw s LEU 44 Cb 0.00 -3.46 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 3bkw s LEU 44 CO 0.00 -0.18 0.35 -0.13 0.23 0.00 0.00 176.35 176.61 3bkw s ARG 45 N -3.59 4.05 -0.03 1.70 0.52 -1.26 -0.91 118.95 119.44 3bkw s ARG 45 Ca 0.43 0.02 0.05 0.00 -0.52 0.00 0.00 55.73 55.71 3bkw s ARG 45 Cb -0.11 -3.62 -0.01 0.00 0.52 0.00 0.00 34.95 31.74 3bkw s ARG 45 CO 0.30 -0.18 -0.17 0.42 0.02 0.00 0.00 175.30 175.69 3bkw s ILE 46 N 1.78 1.37 -0.12 1.52 1.01 0.62 -0.36 121.20 127.03 3bkw s ILE 46 Ca 0.15 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 60.10 3bkw s ILE 46 Cb -0.15 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.14 3bkw s ILE 46 CO 0.09 0.39 -0.16 0.54 0.00 0.00 0.00 174.94 175.80 3bkw s VAL 47 N -0.15 2.77 -0.36 2.92 0.11 -0.63 -0.87 120.40 124.19 3bkw s VAL 47 Ca 0.01 -0.76 -0.07 0.00 -2.93 0.00 0.00 61.98 58.22 3bkw s VAL 47 Cb -0.09 -2.14 0.04 0.00 -1.53 0.00 0.00 36.38 32.66 3bkw s VAL 47 CO 0.01 0.53 0.14 -0.62 -3.33 0.00 0.00 175.10 171.83 3bkw s ASP 48 N 0.35 5.42 -0.45 3.54 -1.08 0.36 -0.86 116.67 123.95 3bkw s ASP 48 Ca -0.13 -1.18 -0.24 0.00 -0.52 0.00 0.00 52.55 50.48 3bkw s ASP 48 Cb -0.16 -1.91 0.03 0.00 -1.46 0.00 0.00 42.92 39.41 3bkw s ASP 48 CO 0.07 -0.37 0.82 -0.76 0.52 0.00 0.00 175.17 175.45 3bkw s LEU 49 N 1.42 4.20 -0.07 -1.34 1.43 0.50 -1.22 118.68 123.60 3bkw s LEU 49 Ca -0.00 -0.06 -0.00 0.00 -1.03 0.00 0.00 54.13 53.04 3bkw s LEU 49 Cb -0.20 -3.02 -0.00 0.00 0.03 0.00 0.00 46.19 43.00 3bkw s LEU 49 CO 0.03 -0.95 0.06 0.61 0.23 0.00 0.00 176.35 176.34 3bkw n GLY 50 N 4.97 0.64 0.19 -3.19 0.00 0.39 -4.24 105.19 103.96 3bkw n GLY 50 Ca 0.03 -0.30 0.14 0.00 0.00 0.00 0.00 46.02 45.89 3bkw n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bkw n GLY 52 N 0.02 3.19 0.00 0.00 0.00 -1.26 -1.07 105.19 106.07 3bkw n GLY 52 Ca 0.01 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.05 3bkw n GLY 52 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3bkw n PHE 53 N 14.00 0.00 -0.67 1.61 7.35 -1.26 -4.58 117.46 133.91 3bkw n PHE 53 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3bkw n PHE 53 Cb 0.00 -0.45 0.00 0.00 0.35 0.00 0.00 39.48 39.38 3bkw n PHE 53 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3bkw n GLY 54 N -0.10 0.82 0.15 7.13 0.00 -0.24 -4.14 105.19 108.82 3bkw n GLY 54 Ca 0.04 -0.53 -0.06 0.00 0.00 0.00 0.00 46.02 45.47 3bkw n GLY 54 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3bkw h TRP 55 N 0.00 -0.01 -0.42 1.61 4.06 -1.90 -0.42 115.95 118.86 3bkw h TRP 55 Ca 0.00 0.02 -0.11 0.00 2.06 0.00 0.00 58.89 60.86 3bkw h TRP 55 Cb 0.15 0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.36 3bkw h TRP 55 CO 0.00 -0.06 -0.18 0.35 -3.56 0.00 0.00 178.44 175.00 3bkw h PHE 56 N 0.10 0.99 -0.42 0.49 3.57 -1.95 -1.87 116.94 117.86 3bkw h PHE 56 Ca 0.16 -0.24 0.06 0.00 3.53 0.00 0.00 57.97 61.48 3bkw h PHE 56 Cb 0.22 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.68 3bkw h PHE 56 CO -0.24 1.01 0.13 0.00 -2.23 0.00 0.00 178.31 176.99 3bkw h ARG 58 N 0.28 0.98 -0.14 0.00 3.08 -1.06 -1.44 114.38 116.07 3bkw h ARG 58 Ca 0.20 -0.30 0.02 0.00 0.07 0.00 0.00 59.98 59.97 3bkw h ARG 58 Cb 0.21 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3bkw h ARG 58 CO -0.22 0.97 0.03 2.35 -1.07 0.00 0.00 179.97 182.02 3bkw h TRP 59 N 0.86 0.05 -0.51 3.04 7.01 -0.77 -0.07 115.95 125.56 3bkw h TRP 59 Ca 0.16 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.17 3bkw h TRP 59 Cb 0.51 -0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.54 3bkw h TRP 59 CO 0.04 0.02 0.30 0.00 -2.79 0.00 0.00 178.44 176.01 3bkw h ALA 60 N 1.10 0.65 0.13 2.65 0.00 -0.61 -1.30 119.26 121.88 3bkw h ALA 60 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3bkw h ALA 60 Cb 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3bkw h ALA 60 CO -0.08 0.14 -0.13 1.25 0.00 0.00 0.00 179.25 180.43 3bkw h HIS 61 N 0.68 -0.33 -0.32 0.00 -0.00 -1.13 -1.18 115.15 112.87 3bkw h HIS 61 Ca 0.18 0.00 0.09 0.00 -0.00 0.00 0.00 60.37 60.64 3bkw h HIS 61 Cb -0.00 0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.52 3bkw h HIS 61 CO -0.03 -0.20 0.23 0.93 -0.00 0.00 0.00 177.93 178.87 3bkw h GLU 62 N -0.28 0.02 -0.70 5.26 5.08 -0.75 -0.91 114.58 122.30 3bkw h GLU 62 Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3bkw h GLU 62 Cb 0.27 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3bkw h GLU 62 CO -0.03 0.01 0.00 0.72 -1.00 0.00 0.00 179.01 178.71 3bkw n HIS 63 N -4.45 1.22 -0.60 4.33 8.25 -0.51 -4.93 115.22 118.52 3bkw n HIS 63 Ca 0.05 -0.44 0.00 0.00 -0.26 0.00 0.00 57.72 57.07 3bkw n HIS 63 Cb 0.39 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 31.19 3bkw n HIS 63 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3bkw n GLY 64 N 0.53 0.65 3.74 -1.41 0.00 -0.35 -3.50 105.19 104.86 3bkw n GLY 64 Ca 0.17 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 3bkw n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bkw s ALA 65 N -2.00 3.78 0.15 4.61 0.00 -0.47 0.06 121.76 127.89 3bkw s ALA 65 Ca 0.00 1.57 -0.11 0.00 0.00 0.00 0.00 51.96 53.41 3bkw s ALA 65 Cb 0.00 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.47 3bkw s ALA 65 CO 0.00 -0.96 1.55 0.77 0.00 0.00 0.00 175.76 177.12 3bkw h SER 66 N 5.27 0.95 -3.63 0.00 0.02 -1.22 -3.44 113.55 111.50 3bkw h SER 66 Ca -0.46 -0.38 -0.19 0.00 -0.84 0.00 0.00 61.79 59.92 3bkw h SER 66 Cb 1.22 -0.26 -0.28 0.00 0.14 0.00 0.00 62.40 63.22 3bkw h SER 66 CO 0.83 1.11 -0.50 -0.47 -1.14 0.00 0.00 176.83 176.66 3bkw s TYR 67 N -4.75 -0.24 -0.09 3.45 5.04 -1.10 -4.95 117.35 114.72 3bkw s TYR 67 Ca -0.12 0.60 0.01 0.00 -2.44 0.00 0.00 57.07 55.11 3bkw s TYR 67 Cb 0.12 0.05 0.02 0.00 0.35 0.00 0.00 41.96 42.49 3bkw s TYR 67 CO 0.85 -0.15 -0.09 0.08 -1.34 0.00 0.00 175.55 174.91 3bkw s VAL 68 N 0.55 1.01 -0.26 3.14 1.01 -1.15 -0.27 120.40 124.43 3bkw s VAL 68 Ca -0.04 -0.33 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 3bkw s VAL 68 Cb -0.05 -1.00 0.01 0.00 0.00 0.00 0.00 36.38 35.34 3bkw s VAL 68 CO -0.03 0.35 0.01 -0.22 0.00 0.00 0.00 175.10 175.21 3bkw s LEU 69 N 1.31 3.40 -0.22 3.92 2.96 -0.05 -0.88 118.68 129.13 3bkw s LEU 69 Ca -0.03 -0.64 -0.08 0.00 -0.22 0.00 0.00 54.13 53.16 3bkw s LEU 69 Cb -0.14 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.72 3bkw s LEU 69 CO -0.04 -0.12 0.09 -0.83 -1.32 0.00 0.00 176.35 174.13 3bkw s GLY 70 N 1.45 1.88 -0.09 7.98 0.00 0.24 -0.49 107.32 118.29 3bkw s GLY 70 Ca 0.03 -0.91 0.03 0.00 0.00 0.00 0.00 44.72 43.88 3bkw s GLY 70 CO -0.01 0.29 -0.19 1.08 0.00 0.00 0.00 173.10 174.27 3bkw s LEU 71 N 0.95 2.37 0.06 0.66 1.43 -0.36 -1.43 118.68 122.36 3bkw s LEU 71 Ca 0.05 -0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 52.60 3bkw s LEU 71 Cb -0.14 -1.48 0.02 0.00 0.03 0.00 0.00 46.19 44.62 3bkw s LEU 71 CO 0.03 0.22 0.29 -0.62 0.23 0.00 0.00 176.35 176.49 3bkw s ASP 72 N 0.03 -0.08 0.32 2.29 2.15 -1.13 -0.46 116.67 119.78 3bkw s ASP 72 Ca -0.07 -0.30 0.16 0.00 0.43 0.00 0.00 52.55 52.76 3bkw s ASP 72 Cb -0.15 0.36 0.43 0.00 -0.30 0.00 0.00 42.92 43.26 3bkw s ASP 72 CO 0.05 -0.66 1.62 0.25 -0.17 0.00 0.00 175.17 176.26 3bkw h LEU 73 N 3.05 0.00 -8.65 -1.34 5.85 -1.86 -1.04 115.31 111.33 3bkw h LEU 73 Ca -0.32 0.00 -0.66 0.00 0.84 0.00 0.00 57.88 57.74 3bkw h LEU 73 Cb 1.21 0.00 -0.16 0.00 0.37 0.00 0.00 40.66 42.08 3bkw h LEU 73 CO 0.48 0.50 0.01 -0.55 -0.34 0.00 0.00 178.44 178.54 3bkw s SER 74 N -6.53 6.30 0.29 1.25 0.15 -1.26 -4.77 113.70 109.13 3bkw s SER 74 Ca 0.01 -0.28 -0.01 0.00 0.70 0.00 0.00 55.95 56.37 3bkw s SER 74 Cb 0.10 -2.29 0.43 0.00 -1.71 0.00 0.00 66.02 62.56 3bkw s SER 74 CO 0.72 -0.64 1.85 -0.08 1.20 0.00 0.00 173.24 176.30 3bkw h GLU 75 N 8.69 0.85 -0.62 5.44 4.57 -2.00 -1.55 114.58 129.96 3bkw h GLU 75 Ca -0.26 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 57.77 3bkw h GLU 75 Cb 1.11 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 3bkw h GLU 75 CO 0.83 0.73 0.00 1.63 -1.18 0.00 0.00 179.01 181.02 3bkw n LYS 76 N -4.30 0.14 0.00 1.92 5.02 -1.26 -1.41 118.16 118.27 3bkw n LYS 76 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 3bkw n LYS 76 Cb 0.19 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 3bkw n LYS 76 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3bkw n LEU 78 N 0.57 0.00 -0.20 -0.35 4.77 -0.58 -1.94 117.00 119.26 3bkw n LEU 78 Ca 0.00 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 3bkw n LEU 78 Cb 0.04 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3bkw n LEU 78 CO 0.00 0.00 1.07 0.00 -1.33 0.00 0.00 177.39 177.13 3bkw h ALA 79 N 0.00 0.74 -0.68 -1.18 0.00 -1.51 0.11 119.26 116.74 3bkw h ALA 79 Ca 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3bkw h ALA 79 Cb 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3bkw h ALA 79 CO 0.00 0.23 0.23 0.00 0.00 0.00 0.00 179.25 179.71 3bkw h ARG 80 N 0.78 1.05 -0.21 0.00 3.08 -1.67 -1.65 114.38 115.75 3bkw h ARG 80 Ca 0.21 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3bkw h ARG 80 Cb 0.00 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 3bkw h ARG 80 CO -0.04 0.90 0.08 0.00 -1.07 0.00 0.00 179.97 179.84 3bkw h ALA 81 N 1.10 0.28 -0.63 0.04 0.00 -1.64 -2.30 119.26 116.10 3bkw h ALA 81 Ca 0.22 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3bkw h ALA 81 Cb 0.27 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3bkw h ALA 81 CO -0.01 -0.12 0.39 0.00 0.00 0.00 0.00 179.25 179.50 3bkw h ARG 82 N 0.19 0.74 0.00 0.00 3.08 -0.66 -2.40 114.38 115.33 3bkw h ARG 82 Ca 0.07 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 3bkw h ARG 82 Cb 0.19 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 3bkw h ARG 82 CO -0.01 0.49 -0.14 0.00 -1.07 0.00 0.00 179.97 179.24 3bkw h ALA 83 N 1.28 1.71 0.00 0.04 0.00 -1.19 -2.30 119.26 118.79 3bkw h ALA 83 Ca 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3bkw h ALA 83 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3bkw h ALA 83 CO -0.11 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.32 3bkw n ALA 84 N -2.49 1.71 0.00 0.00 0.00 -0.88 -5.01 120.51 113.85 3bkw n ALA 84 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3bkw n ALA 84 Cb 0.21 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3bkw n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bkw n GLY 85 N 0.11 -1.27 3.86 0.00 0.00 -0.87 -5.04 105.19 101.98 3bkw n GLY 85 Ca 0.03 -1.55 -0.28 0.00 0.00 0.00 0.00 46.02 44.23 3bkw n GLY 85 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3bkw n PRO 86 N -1.06 -1.01 0.02 1.61 -0.04 -1.26 -4.91 135.00 128.34 3bkw n PRO 86 Ca 0.00 -2.22 0.04 0.00 -0.04 0.00 0.00 63.50 61.28 3bkw n PRO 86 Cb 0.00 -1.20 0.43 0.00 -0.04 0.00 0.00 33.50 32.69 3bkw n PRO 86 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3bkw h ASP 87 N -1.47 0.44 -4.92 3.54 3.32 -1.96 -3.45 116.42 111.92 3bkw h ASP 87 Ca -0.41 -0.02 -0.17 0.00 0.02 0.00 0.00 57.03 56.46 3bkw h ASP 87 Cb 1.19 -0.11 -0.15 0.00 0.22 0.00 0.00 39.33 40.48 3bkw h ASP 87 CO 0.32 0.34 -0.69 0.42 -1.72 0.00 0.00 179.24 177.90 3bkw s THR 88 N -5.43 0.46 0.00 0.35 -4.23 -1.26 -4.92 115.64 100.60 3bkw s THR 88 Ca -0.08 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 3bkw s THR 88 Cb 0.17 -1.61 0.00 0.00 1.34 0.00 0.00 72.50 72.41 3bkw s THR 88 CO 0.73 -0.93 0.00 0.61 -0.54 0.00 0.00 174.62 174.49 3bkw n GLY 89 N 0.03 2.30 3.06 3.99 0.00 -1.26 -5.06 105.19 108.25 3bkw n GLY 89 Ca -0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 3bkw n GLY 89 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bkw s ILE 90 N -2.28 1.26 -0.15 -0.61 1.01 -1.26 -2.95 121.20 116.22 3bkw s ILE 90 Ca 0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.07 3bkw s ILE 90 Cb 0.00 -1.14 -0.02 0.00 0.01 0.00 0.00 42.46 41.31 3bkw s ILE 90 CO 0.00 0.38 -0.08 -0.89 0.00 0.00 0.00 174.94 174.36 3bkw s THR 91 N 0.57 3.50 -0.11 2.92 2.01 -0.06 -5.01 115.64 119.46 3bkw s THR 91 Ca -0.14 -0.50 -0.02 0.00 0.31 0.00 0.00 61.69 61.35 3bkw s THR 91 Cb -0.16 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.81 3bkw s THR 91 CO 0.04 0.50 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.11 3bkw s TYR 92 N 0.44 3.00 0.01 4.92 2.02 -1.26 -0.59 117.35 125.88 3bkw s TYR 92 Ca -0.06 -0.14 0.00 0.00 -0.37 0.00 0.00 57.07 56.49 3bkw s TYR 92 Cb -0.15 -1.84 -0.01 0.00 -0.40 0.00 0.00 41.96 39.56 3bkw s TYR 92 CO 0.04 0.15 -0.02 -1.21 -1.57 0.00 0.00 175.55 172.94 3bkw s GLU 93 N -0.21 0.18 0.12 -0.62 2.02 -0.52 -4.96 118.70 114.70 3bkw s GLU 93 Ca 0.03 -0.31 -0.30 0.00 0.02 0.00 0.00 54.97 54.41 3bkw s GLU 93 Cb -0.13 0.02 -0.06 0.00 0.10 0.00 0.00 34.13 34.07 3bkw s GLU 93 CO 0.02 -0.02 0.99 0.50 0.02 0.00 0.00 175.26 176.78 3bkw s ARG 94 N -0.73 4.67 -0.07 1.61 3.52 -1.26 -2.85 118.95 123.84 3bkw s ARG 94 Ca -0.08 1.51 -0.20 0.00 -0.13 0.00 0.00 55.73 56.83 3bkw s ARG 94 Cb -0.05 -3.36 0.04 0.00 -1.56 0.00 0.00 34.95 30.02 3bkw s ARG 94 CO -0.00 0.17 0.46 0.00 -0.81 0.00 0.00 175.30 175.12 3bkw s ALA 95 N 0.00 -1.17 -0.32 6.12 0.00 -0.39 -4.88 121.76 121.12 3bkw s ALA 95 Ca 0.48 0.90 -0.11 0.00 0.00 0.00 0.00 51.96 53.23 3bkw s ALA 95 Cb -0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.66 3bkw s ALA 95 CO 0.31 -0.28 0.19 0.34 0.00 0.00 0.00 175.76 176.32 3bkw s ASP 96 N -0.82 5.78 0.65 0.00 -1.08 -1.26 -2.80 116.67 117.13 3bkw s ASP 96 Ca -0.09 -0.46 0.43 0.00 -0.52 0.00 0.00 52.55 51.91 3bkw s ASP 96 Cb -0.03 -2.06 2.28 0.00 -1.46 0.00 0.00 42.92 41.65 3bkw s ASP 96 CO 0.05 -0.21 2.32 -0.07 0.52 0.00 0.00 175.17 177.79 3bkw h LEU 97 N 8.41 0.00 -1.20 -1.34 3.38 -1.99 -1.32 115.31 121.25 3bkw h LEU 97 Ca -0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3bkw h LEU 97 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3bkw h LEU 97 CO 0.62 0.00 0.00 0.44 0.09 0.00 0.00 178.44 179.59 3bkw h ASP 98 N 0.00 0.00 -1.17 -0.43 3.32 -1.93 -3.28 116.42 112.93 3bkw h ASP 98 Ca -0.00 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.67 3bkw h ASP 98 Cb 0.06 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 39.25 3bkw h ASP 98 CO 0.00 0.00 -1.08 2.29 -1.72 0.00 0.00 179.24 178.73 3bkw n LYS 99 N -2.81 1.08 -2.53 3.56 2.85 -0.52 -4.91 118.16 114.89 3bkw n LYS 99 Ca 0.01 -3.08 -0.41 0.00 -1.05 0.00 0.00 58.31 53.77 3bkw n LYS 99 Cb 0.28 -1.27 -0.04 0.00 -0.65 0.00 0.00 35.03 33.36 3bkw n LYS 99 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3bkw s LEU 100 N -2.86 4.47 -0.10 -5.58 2.96 -1.10 -4.80 118.68 111.67 3bkw s LEU 100 Ca 0.30 2.04 0.01 0.00 -0.22 0.00 0.00 54.13 56.27 3bkw s LEU 100 Cb 0.41 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 43.48 3bkw s LEU 100 CO -0.02 -0.25 -0.13 -2.28 -1.32 0.00 0.00 176.35 172.36 3bkw s HIS 101 N 0.00 2.78 -0.01 5.38 5.65 -1.26 -4.98 115.29 122.86 3bkw s HIS 101 Ca 0.51 -0.46 0.02 0.00 0.25 0.00 0.00 55.06 55.37 3bkw s HIS 101 Cb -0.29 -1.77 0.00 0.00 -1.18 0.00 0.00 32.58 29.34 3bkw s HIS 101 CO 0.33 -0.06 -0.06 -0.51 -0.65 0.00 0.00 174.74 173.79 3bkw s LEU 102 N -0.03 1.89 0.45 8.88 1.43 -1.26 -5.14 118.68 124.89 3bkw s LEU 102 Ca -0.03 -0.12 -0.24 0.00 -1.03 0.00 0.00 54.13 52.71 3bkw s LEU 102 Cb -0.14 -0.35 -0.07 0.00 0.03 0.00 0.00 46.19 45.66 3bkw s LEU 102 CO 0.04 0.05 1.26 -2.16 0.23 0.00 0.00 176.35 175.77 3bkw s PRO 103 N 0.04 3.72 0.39 1.29 0.04 -1.26 -4.77 135.00 134.45 3bkw s PRO 103 Ca -0.00 2.03 -0.27 0.00 0.04 0.00 0.00 61.00 62.80 3bkw s PRO 103 Cb -0.05 -2.53 -0.09 0.00 0.04 0.00 0.00 34.50 31.87 3bkw s PRO 103 CO -0.00 -0.65 1.32 -1.14 0.04 0.00 0.00 177.00 176.57 3bkw s GLN 104 N -2.54 4.06 -1.43 4.56 0.74 -1.26 -3.81 119.66 119.98 3bkw s GLN 104 Ca 0.62 2.22 -0.06 0.00 0.05 0.00 0.00 55.36 58.19 3bkw s GLN 104 Cb -0.35 -2.84 0.04 0.00 1.10 0.00 0.00 33.01 30.96 3bkw s GLN 104 CO 0.43 -0.44 0.75 -3.47 -0.55 0.00 0.00 175.29 172.02 3bkw n ASP 105 N 0.30 -2.40 -0.03 6.67 2.03 -0.29 -4.90 116.55 117.93 3bkw n ASP 105 Ca 0.03 -0.85 0.01 0.00 0.52 0.00 0.00 54.79 54.49 3bkw n ASP 105 Cb 0.43 -3.72 -0.01 0.00 -0.72 0.00 0.00 41.12 37.10 3bkw n ASP 105 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3bkw n SER 106 N -2.94 0.40 -4.04 1.67 7.64 0.45 -4.74 113.62 112.06 3bkw n SER 106 Ca -0.16 -0.70 -0.12 0.00 1.01 0.00 0.00 58.87 58.90 3bkw n SER 106 Cb 0.61 0.74 -0.11 0.00 -1.01 0.00 0.00 64.21 64.44 3bkw n SER 106 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3bkw s PHE 107 N -0.95 0.56 -0.16 1.43 0.08 -0.71 -4.87 117.98 113.36 3bkw s PHE 107 Ca 0.01 -0.51 0.17 0.00 0.12 0.00 0.00 56.93 56.73 3bkw s PHE 107 Cb 0.02 -0.34 -0.25 0.00 -0.57 0.00 0.00 43.02 41.88 3bkw s PHE 107 CO 0.08 -0.11 0.23 -0.25 -0.10 0.00 0.00 175.22 175.06 3bkw n ASP 108 N 1.50 0.19 -3.79 1.36 8.00 0.51 -0.82 116.55 123.49 3bkw n ASP 108 Ca -0.23 0.09 -0.14 0.00 0.71 0.00 0.00 54.79 55.22 3bkw n ASP 108 Cb 0.55 0.84 -0.15 0.00 -0.02 0.00 0.00 41.12 42.33 3bkw n ASP 108 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3bkw s LEU 109 N -5.55 1.22 -0.16 0.64 2.96 -1.05 -1.53 118.68 115.21 3bkw s LEU 109 Ca -0.09 0.08 -0.02 0.00 -0.22 0.00 0.00 54.13 53.89 3bkw s LEU 109 Cb 0.07 0.03 -0.01 0.00 0.50 0.00 0.00 46.19 46.77 3bkw s LEU 109 CO 0.83 -0.10 -0.09 0.00 -1.32 0.00 0.00 176.35 175.67 3bkw s ALA 110 N 0.83 2.75 0.06 5.97 0.00 -0.11 -1.61 121.76 129.65 3bkw s ALA 110 Ca -0.07 -0.96 0.08 0.00 0.00 0.00 0.00 51.96 51.02 3bkw s ALA 110 Cb -0.10 -1.42 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 3bkw s ALA 110 CO -0.03 0.04 -0.23 -0.47 0.00 0.00 0.00 175.76 175.07 3bkw s TYR 111 N 0.68 2.03 -0.20 0.00 5.04 -0.04 -1.31 117.35 123.55 3bkw s TYR 111 Ca -0.05 -0.39 -0.08 0.00 -2.44 0.00 0.00 57.07 54.11 3bkw s TYR 111 Cb -0.15 -1.19 0.09 0.00 0.35 0.00 0.00 41.96 41.05 3bkw s TYR 111 CO 0.02 0.14 0.45 0.45 -1.34 0.00 0.00 175.55 175.27 3bkw s SER 112 N -1.35 -0.42 -0.31 4.32 0.15 -0.94 -0.37 113.70 114.78 3bkw s SER 112 Ca 0.09 1.04 -0.08 0.00 0.70 0.00 0.00 55.95 57.70 3bkw s SER 112 Cb -0.09 1.28 0.01 0.00 -1.71 0.00 0.00 66.02 65.51 3bkw s SER 112 CO 0.02 -0.22 0.11 -0.55 1.20 0.00 0.00 173.24 173.81 3bkw s SER 113 N 2.29 5.32 -1.43 5.45 0.15 -1.26 -1.45 113.70 122.77 3bkw s SER 113 Ca -0.04 -0.76 -0.06 0.00 0.70 0.00 0.00 55.95 55.78 3bkw s SER 113 Cb -0.11 -1.92 0.04 0.00 -1.71 0.00 0.00 66.02 62.32 3bkw s SER 113 CO -0.14 -0.24 0.78 0.18 1.20 0.00 0.00 173.24 175.03 3bkw n LEU 114 N 4.90 -2.71 0.00 3.45 4.77 -0.73 -4.86 117.00 121.81 3bkw n LEU 114 Ca -0.14 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 3bkw n LEU 114 Cb 0.47 -2.54 0.00 0.00 -2.33 0.00 0.00 43.42 39.02 3bkw n LEU 114 CO 0.33 0.43 -0.42 0.00 -1.33 0.00 0.00 177.39 176.40 3bkw n ALA 115 N -4.46 1.89 0.23 -1.18 0.00 -1.26 -4.85 120.51 110.88 3bkw n ALA 115 Ca -0.15 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.36 3bkw n ALA 115 Cb 0.61 0.28 0.54 0.00 0.00 0.00 0.00 19.45 20.88 3bkw n ALA 115 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3bkw h LEU 116 N 0.00 0.00 -0.18 0.00 3.38 -1.89 -2.18 115.31 114.44 3bkw h LEU 116 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3bkw h LEU 116 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3bkw h LEU 116 CO 0.00 0.23 0.00 0.00 0.09 0.00 0.00 178.44 178.76 3bkw n HIS 117 N -3.92 0.14 1.26 1.13 1.44 -1.26 -1.08 115.22 112.93 3bkw n HIS 117 Ca -0.02 0.06 0.13 0.00 -2.01 0.00 0.00 57.72 55.88 3bkw n HIS 117 Cb 0.31 -0.60 0.39 0.00 0.12 0.00 0.00 29.99 30.21 3bkw n HIS 117 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3bkw n TYR 118 N -1.64 0.00 -3.52 -1.40 4.01 -0.82 -0.03 117.16 113.77 3bkw n TYR 118 Ca 0.02 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.39 3bkw n TYR 118 Cb 0.10 -0.12 -0.07 0.00 -0.31 0.00 0.00 39.34 38.94 3bkw n TYR 118 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3bkw s VAL 119 N -2.47 5.29 -0.05 -0.72 1.01 -0.24 -4.87 120.40 118.35 3bkw s VAL 119 Ca 0.25 0.54 -0.20 0.00 0.00 0.00 0.00 61.98 62.56 3bkw s VAL 119 Cb 0.19 -3.64 -0.15 0.00 0.00 0.00 0.00 36.38 32.79 3bkw s VAL 119 CO 0.51 0.35 0.85 -0.08 0.00 0.00 0.00 175.10 176.73 3bkw h GLU 120 N 6.95 -0.23 -3.45 2.72 4.81 -1.91 -3.38 114.58 120.08 3bkw h GLU 120 Ca -0.39 0.02 -0.79 0.00 -0.13 0.00 0.00 59.36 58.06 3bkw h GLU 120 Cb 1.16 0.05 -0.29 0.00 0.63 0.00 0.00 28.75 30.31 3bkw h GLU 120 CO 0.74 0.17 0.44 -3.47 -0.73 0.00 0.00 179.01 176.16 3bkw n ASP 121 N -4.94 5.49 0.17 1.04 -0.08 -1.26 -4.87 116.55 112.11 3bkw n ASP 121 Ca -0.08 -3.10 0.02 0.00 -1.51 0.00 0.00 54.79 50.13 3bkw n ASP 121 Cb 0.26 -1.33 0.31 0.00 2.34 0.00 0.00 41.12 42.69 3bkw n ASP 121 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 3bkw h VAL 122 N 3.65 1.28 -0.60 5.18 3.04 -1.94 -2.91 116.25 123.95 3bkw h VAL 122 Ca 0.18 -1.54 -0.03 0.00 -1.01 0.00 0.00 66.70 64.30 3bkw h VAL 122 Cb 0.83 1.84 -0.03 0.00 -2.01 0.00 0.00 31.29 31.93 3bkw h VAL 122 CO 1.04 0.44 0.25 0.00 -1.01 0.00 0.00 177.57 178.29 3bkw h ALA 123 N 1.56 0.78 -0.69 3.17 0.00 -1.92 -0.16 119.26 122.00 3bkw h ALA 123 Ca -0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3bkw h ALA 123 Cb 0.80 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3bkw h ALA 123 CO 0.06 0.39 0.33 -0.09 0.00 0.00 0.00 179.25 179.94 3bkw h ARG 124 N 0.83 1.00 -0.55 0.00 2.43 -1.93 -1.14 114.38 115.02 3bkw h ARG 124 Ca 0.20 -0.15 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3bkw h ARG 124 Cb 0.19 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 3bkw h ARG 124 CO -0.02 0.79 0.35 1.25 -1.51 0.00 0.00 179.97 180.84 3bkw h LEU 125 N 0.97 0.59 -1.07 3.80 6.46 -1.29 -2.21 115.31 122.57 3bkw h LEU 125 Ca 0.24 -0.01 0.02 0.00 -0.12 0.00 0.00 57.88 58.01 3bkw h LEU 125 Cb 0.12 -0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 39.86 3bkw h LEU 125 CO -0.03 0.42 0.63 -0.26 -0.62 0.00 0.00 178.44 178.58 3bkw h PHE 126 N 0.71 1.18 -0.67 1.25 0.04 -0.46 -0.28 116.94 118.71 3bkw h PHE 126 Ca 0.21 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.96 3bkw h PHE 126 Cb -0.04 -0.40 -0.03 0.00 2.20 0.00 0.00 35.95 37.69 3bkw h PHE 126 CO -0.05 0.72 0.23 0.00 -0.60 0.00 0.00 178.31 178.61 3bkw h ARG 127 N 1.25 1.01 -0.45 1.51 3.08 -0.91 0.35 114.38 120.22 3bkw h ARG 127 Ca 0.36 -0.19 -0.09 0.00 0.07 0.00 0.00 59.98 60.13 3bkw h ARG 127 Cb -0.09 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 3bkw h ARG 127 CO -0.09 0.86 -0.06 1.15 -1.07 0.00 0.00 179.97 180.76 3bkw h THR 128 N 0.98 1.27 -0.42 2.04 2.02 -0.73 -2.41 112.91 115.66 3bkw h THR 128 Ca 0.22 -1.14 -0.05 0.00 0.77 0.00 0.00 66.41 66.20 3bkw h THR 128 Cb 0.25 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 3bkw h THR 128 CO -0.01 0.39 0.05 0.58 0.37 0.00 0.00 175.52 176.90 3bkw h VAL 129 N 0.66 1.25 -0.17 3.16 2.07 -0.83 -2.31 116.25 120.09 3bkw h VAL 129 Ca 0.12 -0.91 0.04 0.00 0.82 0.00 0.00 66.70 66.77 3bkw h VAL 129 Cb 0.58 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 3bkw h VAL 129 CO 0.03 0.31 -0.11 -0.74 0.02 0.00 0.00 177.57 177.09 3bkw h HIS 130 N 0.56 -0.26 0.00 1.57 6.17 -0.85 -1.52 115.15 120.82 3bkw h HIS 130 Ca 0.13 0.02 -0.06 0.00 0.71 0.00 0.00 60.37 61.16 3bkw h HIS 130 Cb 0.40 0.14 -0.01 0.00 2.52 0.00 0.00 27.41 30.46 3bkw h HIS 130 CO 0.03 -0.16 -0.29 -0.56 0.71 0.00 0.00 177.93 177.65 3bkw h GLN 131 N -0.10 0.00 -0.00 5.26 -0.00 -1.40 -2.89 115.11 115.98 3bkw h GLN 131 Ca 0.10 0.00 -0.15 0.00 -0.00 0.00 0.00 58.65 58.60 3bkw h GLN 131 Cb 0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.71 3bkw h GLN 131 CO -0.23 0.29 -0.70 0.00 -0.00 0.00 0.00 178.83 178.19 3bkw h ALA 132 N 1.71 0.84 -2.52 0.06 0.00 -0.81 -0.76 119.26 117.77 3bkw h ALA 132 Ca -0.00 -0.64 -0.52 0.00 0.00 0.00 0.00 54.91 53.74 3bkw h ALA 132 Cb 0.64 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3bkw h ALA 132 CO 0.04 0.88 0.37 -0.51 0.00 0.00 0.00 179.25 180.02 3bkw s LEU 133 N -7.42 4.46 0.68 0.00 1.43 -0.63 -0.42 118.68 116.78 3bkw s LEU 133 Ca -0.01 1.76 -0.15 0.00 -1.03 0.00 0.00 54.13 54.70 3bkw s LEU 133 Cb 0.12 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.77 3bkw s LEU 133 CO 0.78 -0.13 1.13 -0.44 0.23 0.00 0.00 176.35 177.92 3bkw s SER 134 N 0.32 4.86 0.16 2.29 0.01 -0.00 -4.53 113.70 116.80 3bkw s SER 134 Ca 0.49 2.09 -0.34 0.00 1.31 0.00 0.00 55.95 59.51 3bkw s SER 134 Cb -0.23 -2.56 -0.15 0.00 0.21 0.00 0.00 66.02 63.29 3bkw s SER 134 CO 0.29 -1.80 1.26 -2.65 0.41 0.00 0.00 173.24 170.75 3bkw n PRO 135 N -2.50 1.34 -0.86 12.44 -0.02 -1.26 -0.60 135.00 143.54 3bkw n PRO 135 Ca 0.11 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3bkw n PRO 135 Cb 0.52 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3bkw n PRO 135 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bkw n GLY 136 N 2.24 0.88 3.70 -1.23 0.00 -1.26 -5.04 105.19 104.48 3bkw n GLY 136 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3bkw n GLY 136 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3bkw s GLY 137 N -1.88 1.62 0.11 -0.02 0.00 0.23 -4.70 107.32 102.68 3bkw s GLY 137 Ca 0.00 -0.01 0.10 0.00 0.00 0.00 0.00 44.72 44.80 3bkw s GLY 137 CO 0.00 0.48 -0.24 0.30 0.00 0.00 0.00 173.10 173.64 3bkw s HIS 138 N -2.89 2.04 -0.13 1.90 3.76 -0.58 -1.57 115.29 117.81 3bkw s HIS 138 Ca 0.64 -0.40 -0.01 0.00 -0.15 0.00 0.00 55.06 55.14 3bkw s HIS 138 Cb -0.19 -1.11 0.03 0.00 1.11 0.00 0.00 32.58 32.43 3bkw s HIS 138 CO 0.57 0.27 -0.06 0.12 -0.85 0.00 0.00 174.74 174.79 3bkw s PHE 139 N -1.11 1.53 -0.08 1.40 5.36 -0.12 -0.94 117.98 124.03 3bkw s PHE 139 Ca 0.10 -0.85 0.01 0.00 -0.96 0.00 0.00 56.93 55.23 3bkw s PHE 139 Cb -0.10 -1.25 0.02 0.00 -0.34 0.00 0.00 43.02 41.35 3bkw s PHE 139 CO 0.05 -0.55 -0.10 0.08 -1.46 0.00 0.00 175.22 173.24 3bkw s VAL 140 N 1.69 1.08 0.10 3.12 1.01 -0.43 -0.49 120.40 126.48 3bkw s VAL 140 Ca 0.03 -0.40 -0.13 0.00 0.00 0.00 0.00 61.98 61.48 3bkw s VAL 140 Cb -0.14 -1.03 0.02 0.00 0.00 0.00 0.00 36.38 35.24 3bkw s VAL 140 CO -0.08 0.35 0.31 0.72 0.00 0.00 0.00 175.10 176.41 3bkw s PHE 141 N 1.04 -0.06 0.10 5.22 -0.12 -0.15 -2.22 117.98 121.79 3bkw s PHE 141 Ca -0.08 -0.26 0.10 0.00 -0.05 0.00 0.00 56.93 56.64 3bkw s PHE 141 Cb -0.15 0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.33 3bkw s PHE 141 CO -0.01 -0.61 -0.23 -1.54 -0.05 0.00 0.00 175.22 172.78 3bkw s SER 142 N -2.70 3.51 0.13 1.98 1.04 -0.53 -0.93 113.70 116.21 3bkw s SER 142 Ca 0.02 -0.63 -0.10 0.00 0.48 0.00 0.00 55.95 55.72 3bkw s SER 142 Cb 0.03 -0.37 0.00 0.00 0.10 0.00 0.00 66.02 65.78 3bkw s SER 142 CO -0.10 0.20 0.28 0.28 0.98 0.00 0.00 173.24 174.88 3bkw s THR 143 N -1.02 0.09 0.34 2.02 -1.32 -0.38 -1.78 115.64 113.59 3bkw s THR 143 Ca 0.15 -1.17 -0.29 0.00 -1.21 0.00 0.00 61.69 59.17 3bkw s THR 143 Cb -0.10 -1.55 -0.11 0.00 -1.51 0.00 0.00 72.50 69.23 3bkw s THR 143 CO 0.06 -0.42 1.41 -1.61 -2.21 0.00 0.00 174.62 171.85 3bkw s GLU 144 N -3.90 4.24 0.30 7.08 2.02 -1.26 -0.86 118.70 126.31 3bkw s GLU 144 Ca 0.10 2.38 -0.28 0.00 0.02 0.00 0.00 54.97 57.20 3bkw s GLU 144 Cb 0.03 -3.03 -0.09 0.00 0.10 0.00 0.00 34.13 31.14 3bkw s GLU 144 CO -0.06 -0.37 1.02 -1.58 0.02 0.00 0.00 175.26 174.29 3bkw s HIS 145 N -0.94 3.65 0.57 1.61 5.65 -1.26 -4.56 115.29 120.01 3bkw s HIS 145 Ca 0.52 1.77 0.26 0.00 0.25 0.00 0.00 55.06 57.86 3bkw s HIS 145 Cb -0.43 -3.10 1.60 0.00 -1.18 0.00 0.00 32.58 29.47 3bkw s HIS 145 CO 0.55 -0.14 2.16 -1.00 -0.65 0.00 0.00 174.74 175.66 3bkw h PRO 146 N 3.53 0.00 -0.77 2.88 0.13 -1.91 -1.48 132.00 134.37 3bkw h PRO 146 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 3bkw h PRO 146 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 3bkw h PRO 146 CO 0.66 0.00 0.44 0.82 -0.23 0.00 0.00 178.00 179.69 3bkw h ILE 147 N 0.00 1.22 0.00 -3.56 2.04 -1.93 0.17 117.51 115.46 3bkw h ILE 147 Ca 0.05 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.38 3bkw h ILE 147 Cb 0.25 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 3bkw h ILE 147 CO -0.00 0.24 0.00 0.00 0.00 0.00 0.00 178.15 178.39 3bkw n TYR 148 N -4.46 0.00 0.00 1.37 9.36 -0.56 -4.53 117.16 118.33 3bkw n TYR 148 Ca 0.07 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.29 3bkw n TYR 148 Cb 0.08 -0.03 0.00 0.00 -0.63 0.00 0.00 39.34 38.75 3bkw n TYR 148 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3bkw n ALA 150 N 0.01 0.00 -1.77 2.98 0.00 0.60 -4.81 120.51 117.53 3bkw n ALA 150 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 3bkw n ALA 150 Cb 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.50 3bkw n ALA 150 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3bkw s PRO 151 N 0.00 4.35 0.17 0.00 0.02 -1.26 -4.72 135.00 133.57 3bkw s PRO 151 Ca 0.00 2.00 -0.14 0.00 0.02 0.00 0.00 61.00 62.88 3bkw s PRO 151 Cb 0.00 -3.00 0.11 0.00 0.02 0.00 0.00 34.50 31.63 3bkw s PRO 151 CO 0.00 -0.11 1.78 0.00 -0.33 0.00 0.00 177.00 178.35 3bkw h ALA 152 N 3.30 0.59 -3.41 -1.55 0.00 -1.96 -3.31 119.26 112.93 3bkw h ALA 152 Ca -0.48 0.02 -0.64 0.00 0.00 0.00 0.00 54.91 53.81 3bkw h ALA 152 Cb 1.22 -0.07 -0.41 0.00 0.00 0.00 0.00 17.79 18.54 3bkw h ALA 152 CO 0.65 -0.11 -0.68 1.03 0.00 0.00 0.00 179.25 180.14 3bkw s ARG 153 N -6.14 1.67 0.59 0.00 0.52 -1.26 -4.30 118.95 110.04 3bkw s ARG 153 Ca -0.13 -2.25 -0.18 0.00 -0.52 0.00 0.00 55.73 52.65 3bkw s ARG 153 Cb 0.13 -3.08 -0.03 0.00 0.52 0.00 0.00 34.95 32.48 3bkw s ARG 153 CO 0.73 -1.06 1.15 -2.14 0.02 0.00 0.00 175.30 174.00 3bkw s PRO 154 N 0.24 3.06 0.00 3.54 0.02 -1.25 -5.01 135.00 135.60 3bkw s PRO 154 Ca 0.15 1.63 0.00 0.00 0.02 0.00 0.00 61.00 62.80 3bkw s PRO 154 Cb -0.23 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.32 3bkw s PRO 154 CO -0.04 -1.09 0.00 0.41 -0.33 0.00 0.00 177.00 175.96 3bkw n GLY 155 N 0.12 0.80 3.85 0.52 0.00 -1.26 -5.12 105.19 104.09 3bkw n GLY 155 Ca 0.12 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.78 3bkw n GLY 155 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3bkw s TRP 156 N -2.00 3.63 0.04 1.61 0.52 -1.26 -4.26 118.94 117.22 3bkw s TRP 156 Ca 0.00 0.99 0.05 0.00 0.02 0.00 0.00 56.10 57.16 3bkw s TRP 156 Cb 0.00 -2.31 -0.03 0.00 -1.15 0.00 0.00 33.47 29.98 3bkw s TRP 156 CO 0.00 0.49 -0.11 0.00 0.02 0.00 0.00 176.95 177.35 3bkw s ALA 157 N -1.38 2.86 0.27 0.98 0.00 0.33 -4.98 121.76 119.85 3bkw s ALA 157 Ca 0.34 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 51.19 3bkw s ALA 157 Cb -0.15 -0.94 -0.05 0.00 0.00 0.00 0.00 23.12 21.98 3bkw s ALA 157 CO 0.18 0.61 0.12 0.96 0.00 0.00 0.00 175.76 177.63 3bkw s ILE 158 N -1.02 0.43 0.20 0.00 -5.25 -1.26 -0.78 121.20 113.51 3bkw s ILE 158 Ca 0.17 -2.00 -0.14 0.00 -0.99 0.00 0.00 60.65 57.69 3bkw s ILE 158 Cb -0.11 -2.58 0.18 0.00 2.95 0.00 0.00 42.46 42.90 3bkw s ILE 158 CO 0.08 0.00 1.65 1.23 -1.79 0.00 0.00 174.94 176.12 3bkw h GLY 162 N 2.34 0.46 -4.65 6.27 0.00 -2.07 -3.45 103.07 101.97 3bkw h GLY 162 Ca -0.36 0.14 -0.54 0.00 0.00 0.00 0.00 47.33 46.57 3bkw h GLY 162 CO 0.57 -0.20 0.64 -1.60 0.00 0.00 0.00 176.54 175.95 3bkw s ARG 163 N -6.20 4.39 0.10 4.80 3.52 -1.26 -5.01 118.95 119.29 3bkw s ARG 163 Ca -0.14 1.73 -0.30 0.00 -0.13 0.00 0.00 55.73 56.89 3bkw s ARG 163 Cb 0.17 -3.47 -0.06 0.00 -1.56 0.00 0.00 34.95 30.04 3bkw s ARG 163 CO 0.73 -0.36 1.12 0.50 -0.81 0.00 0.00 175.30 176.48 3bkw s ARG 164 N 1.70 4.52 0.08 5.12 3.52 -1.26 -4.96 118.95 127.67 3bkw s ARG 164 Ca 0.58 1.70 -0.00 0.00 -0.13 0.00 0.00 55.73 57.87 3bkw s ARG 164 Cb -0.27 -3.33 -0.04 0.00 -1.56 0.00 0.00 34.95 29.75 3bkw s ARG 164 CO 0.26 -0.08 -0.03 0.95 -0.81 0.00 0.00 175.30 175.59 3bkw s THR 165 N 0.47 0.35 -0.44 4.11 -4.23 0.04 -4.99 115.64 110.96 3bkw s THR 165 Ca 0.54 -1.86 0.04 0.00 -1.18 0.00 0.00 61.69 59.22 3bkw s THR 165 Cb -0.28 -1.65 0.12 0.00 1.34 0.00 0.00 72.50 72.02 3bkw s THR 165 CO 0.32 -0.88 0.17 0.86 -0.54 0.00 0.00 174.62 174.54 3bkw s TRP 166 N -3.84 3.29 0.21 3.99 -0.11 -1.26 -0.51 118.94 120.70 3bkw s TRP 166 Ca 0.11 -3.01 -0.30 0.00 1.22 0.00 0.00 56.10 54.12 3bkw s TRP 166 Cb 0.07 -2.77 -0.09 0.00 -1.50 0.00 0.00 33.47 29.19 3bkw s TRP 166 CO -0.07 -0.83 1.32 -2.14 -4.62 0.00 0.00 176.95 170.61 3bkw s PRO 167 N 0.29 4.38 0.15 5.86 0.02 -1.26 -5.04 135.00 139.41 3bkw s PRO 167 Ca 0.14 2.08 0.10 0.00 0.02 0.00 0.00 61.00 63.34 3bkw s PRO 167 Cb -0.23 -3.18 -0.04 0.00 0.02 0.00 0.00 34.50 31.07 3bkw s PRO 167 CO -0.04 -0.26 -0.19 0.96 -0.33 0.00 0.00 177.00 177.14 3bkw s ILE 168 N 0.05 2.73 0.11 2.83 -4.36 -1.26 -4.79 121.20 116.50 3bkw s ILE 168 Ca 0.56 -1.72 -0.08 0.00 -0.26 0.00 0.00 60.65 59.15 3bkw s ILE 168 Cb -0.37 -2.29 -0.00 0.00 1.25 0.00 0.00 42.46 41.05 3bkw s ILE 168 CO 0.39 -0.01 0.21 1.51 0.24 0.00 0.00 174.94 177.28 3bkw s ASP 169 N -2.44 0.11 -1.06 4.36 -4.77 -1.26 -4.93 116.67 106.68 3bkw s ASP 169 Ca 0.20 -0.72 -0.01 0.00 -3.30 0.00 0.00 52.55 48.71 3bkw s ASP 169 Cb -0.09 0.36 0.01 0.00 -1.09 0.00 0.00 42.92 42.11 3bkw s ASP 169 CO 0.11 -0.77 0.09 0.54 0.70 0.00 0.00 175.17 175.84 3bkw n ARG 170 N -0.10 -2.50 -0.20 2.11 1.74 -1.26 -3.98 116.66 112.47 3bkw n ARG 170 Ca -0.13 0.56 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 3bkw n ARG 170 Cb 0.63 -5.18 0.25 0.00 -1.02 0.00 0.00 32.46 27.14 3bkw n ARG 170 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 3bkw h TYR 171 N -0.18 0.91 -0.01 -1.55 3.20 -1.92 -1.86 116.97 115.57 3bkw h TYR 171 Ca -0.31 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.58 3bkw h TYR 171 Cb 1.22 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.19 3bkw h TYR 171 CO 0.70 0.59 -0.04 1.28 -1.64 0.00 0.00 178.16 179.05 3bkw n LEU 172 N -4.41 0.77 -4.35 2.82 7.99 -1.26 -4.66 117.00 113.90 3bkw n LEU 172 Ca 0.08 -0.21 -0.46 0.00 -0.01 0.00 0.00 56.01 55.41 3bkw n LEU 172 Cb 0.05 -0.05 -0.04 0.00 -0.11 0.00 0.00 43.42 43.27 3bkw n LEU 172 CO 0.36 0.13 0.41 -0.69 -1.51 0.00 0.00 177.39 176.10 3bkw s VAL 173 N -2.15 5.20 0.50 4.08 1.01 -0.70 -5.03 120.40 123.31 3bkw s VAL 173 Ca 0.38 -1.73 -0.17 0.00 0.00 0.00 0.00 61.98 60.46 3bkw s VAL 173 Cb 0.21 -4.48 -0.08 0.00 0.00 0.00 0.00 36.38 32.03 3bkw s VAL 173 CO 0.39 -1.07 0.99 -1.61 0.00 0.00 0.00 175.10 173.80 3bkw s GLU 174 N 1.49 3.96 0.00 2.72 2.02 -1.26 -4.97 118.70 122.65 3bkw s GLU 174 Ca 0.14 1.02 0.00 0.00 0.02 0.00 0.00 54.97 56.15 3bkw s GLU 174 Cb -0.18 -2.14 0.00 0.00 0.10 0.00 0.00 34.13 31.91 3bkw s GLU 174 CO -0.02 -0.27 0.00 0.41 0.02 0.00 0.00 175.26 175.40 3bkw n GLY 175 N -1.32 0.83 3.76 -1.39 0.00 -0.87 -4.98 105.19 101.22 3bkw n GLY 175 Ca 0.07 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.81 3bkw n GLY 175 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3bkw n PRO 176 N -0.72 2.16 -5.12 1.61 -0.02 -1.26 -0.84 135.00 130.82 3bkw n PRO 176 Ca 0.00 0.77 -0.31 0.00 -2.02 0.00 0.00 63.50 61.94 3bkw n PRO 176 Cb 0.00 -2.62 -0.17 0.00 -0.02 0.00 0.00 33.50 30.69 3bkw n PRO 176 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3bkw s ARG 177 N -2.52 2.89 -0.24 -0.52 1.81 0.78 -4.83 118.95 116.33 3bkw s ARG 177 Ca 0.63 -0.82 0.13 0.00 -1.72 0.00 0.00 55.73 53.94 3bkw s ARG 177 Cb -0.44 -2.21 0.53 0.00 -0.45 0.00 0.00 34.95 32.38 3bkw s ARG 177 CO 0.56 0.15 1.47 1.63 -0.68 0.00 0.00 175.30 178.43 3bkw n LYS 178 N 3.59 2.49 -0.22 3.54 5.02 -1.26 -2.03 118.16 129.29 3bkw n LYS 178 Ca -0.19 -2.99 0.02 0.00 -2.02 0.00 0.00 58.31 53.13 3bkw n LYS 178 Cb 0.53 -1.86 0.14 0.00 -0.02 0.00 0.00 35.03 33.81 3bkw n LYS 178 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3bkw h THR 179 N 1.47 0.64 -0.42 -0.18 2.02 -1.88 -1.83 112.91 112.72 3bkw h THR 179 Ca 0.12 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.19 3bkw h THR 179 Cb 1.61 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 3bkw h THR 179 CO 0.34 0.06 0.00 0.47 0.37 0.00 0.00 175.52 176.76 3bkw n ASP 180 N -5.09 4.63 0.23 4.18 8.00 -1.26 -4.66 116.55 122.58 3bkw n ASP 180 Ca 0.11 -2.88 -0.15 0.00 0.71 0.00 0.00 54.79 52.58 3bkw n ASP 180 Cb 0.35 -0.59 -0.08 0.00 -0.02 0.00 0.00 41.12 40.79 3bkw n ASP 180 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 3bkw h TRP 181 N 2.87 -0.52 -0.19 1.24 2.91 -1.24 -0.92 115.95 120.09 3bkw h TRP 181 Ca 0.00 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.00 3bkw h TRP 181 Cb 1.61 0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 30.43 3bkw h TRP 181 CO 0.74 -0.24 0.08 -0.07 -1.03 0.00 0.00 178.44 177.91 3bkw h LEU 182 N -0.73 0.26 -0.13 0.65 3.38 -1.83 0.18 115.31 117.08 3bkw h LEU 182 Ca -0.06 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 3bkw h LEU 182 Cb 0.52 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3bkw h LEU 182 CO 0.09 0.35 -0.19 0.00 0.09 0.00 0.00 178.44 178.78 3bkw h ALA 183 N 0.92 0.20 0.00 1.53 0.00 -1.88 -3.38 119.26 116.65 3bkw h ALA 183 Ca 0.06 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3bkw h ALA 183 Cb 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3bkw h ALA 183 CO -0.01 0.13 -0.54 1.63 0.00 0.00 0.00 179.25 180.47 3bkw n LYS 184 N -4.51 3.43 -2.09 0.00 4.01 -0.36 -5.02 118.16 113.62 3bkw n LYS 184 Ca -0.07 -0.01 -0.12 0.00 -0.51 0.00 0.00 58.31 57.61 3bkw n LYS 184 Cb 0.40 -1.00 -0.01 0.00 -0.51 0.00 0.00 35.03 33.91 3bkw n LYS 184 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3bkw n GLY 185 N 1.28 0.10 3.41 0.72 0.00 0.62 -4.99 105.19 106.33 3bkw n GLY 185 Ca 0.02 -0.40 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 3bkw n GLY 185 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3bkw s VAL 186 N -2.57 2.45 -0.11 1.61 -7.23 -1.25 -4.99 120.40 108.32 3bkw s VAL 186 Ca 0.00 -1.41 0.03 0.00 -1.81 0.00 0.00 61.98 58.79 3bkw s VAL 186 Cb 0.00 -2.03 -0.00 0.00 0.56 0.00 0.00 36.38 34.91 3bkw s VAL 186 CO 0.00 0.27 -0.21 -0.69 -0.31 0.00 0.00 175.10 174.16 3bkw s VAL 187 N -0.93 2.31 0.21 1.32 1.01 -1.26 -3.04 120.40 120.01 3bkw s VAL 187 Ca 0.14 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.25 3bkw s VAL 187 Cb -0.10 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 3bkw s VAL 187 CO 0.05 0.55 0.15 -0.54 0.00 0.00 0.00 175.10 175.31 3bkw s LYS 188 N 0.38 2.86 -0.25 2.72 1.02 -0.86 -4.66 119.74 120.96 3bkw s LYS 188 Ca -0.16 -0.99 -0.00 0.00 0.02 0.00 0.00 55.97 54.83 3bkw s LYS 188 Cb -0.17 -2.57 0.03 0.00 -0.52 0.00 0.00 37.83 34.60 3bkw s LYS 188 CO 0.07 0.44 -0.08 -1.01 -0.92 0.00 0.00 175.35 173.85 3bkw s HIS 189 N -1.95 3.09 -0.18 3.18 3.76 0.96 -0.16 115.29 123.99 3bkw s HIS 189 Ca 0.32 -1.75 -0.29 0.00 -0.15 0.00 0.00 55.06 53.19 3bkw s HIS 189 Cb -0.09 -2.02 -0.00 0.00 1.11 0.00 0.00 32.58 31.58 3bkw s HIS 189 CO 0.24 -0.78 1.00 -1.58 -0.85 0.00 0.00 174.74 172.77 3bkw s HIS 190 N 1.27 3.41 -0.01 1.40 2.46 -0.02 -4.85 115.29 118.95 3bkw s HIS 190 Ca -0.02 1.48 0.01 0.00 0.47 0.00 0.00 55.06 57.01 3bkw s HIS 190 Cb -0.17 -3.21 0.01 0.00 -0.13 0.00 0.00 32.58 29.08 3bkw s HIS 190 CO -0.05 -0.36 -0.02 1.03 -2.47 0.00 0.00 174.74 172.87 3bkw s ARG 191 N 2.63 0.27 0.93 2.88 0.52 -1.26 -2.05 118.95 122.87 3bkw s ARG 191 Ca 0.45 -0.03 -0.11 0.00 -0.52 0.00 0.00 55.73 55.51 3bkw s ARG 191 Cb -0.16 -0.34 0.15 0.00 0.52 0.00 0.00 34.95 35.11 3bkw s ARG 191 CO 0.11 -0.02 1.09 0.95 0.02 0.00 0.00 175.30 177.45 3bkw s THR 192 N 0.40 2.54 0.18 0.02 -4.23 -1.26 -4.51 115.64 108.77 3bkw s THR 192 Ca -0.04 0.17 -0.14 0.00 -1.18 0.00 0.00 61.69 60.51 3bkw s THR 192 Cb -0.07 -2.55 0.07 0.00 1.34 0.00 0.00 72.50 71.30 3bkw s THR 192 CO -0.01 -0.23 1.81 0.58 -0.54 0.00 0.00 174.62 176.24 3bkw h VAL 193 N -1.71 1.04 -0.63 2.29 2.07 -1.99 -2.22 116.25 115.10 3bkw h VAL 193 Ca -0.50 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 66.86 3bkw h VAL 193 Cb 1.29 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 3bkw h VAL 193 CO 0.52 0.11 0.37 1.23 0.02 0.00 0.00 177.57 179.83 3bkw h GLY 194 N 0.60 0.91 0.85 2.17 0.00 -1.99 -1.06 103.07 104.55 3bkw h GLY 194 Ca 0.21 -0.27 0.02 0.00 0.00 0.00 0.00 47.33 47.28 3bkw h GLY 194 CO -0.10 0.21 0.16 -0.84 0.00 0.00 0.00 176.54 175.97 3bkw h THR 195 N 0.72 0.99 0.14 4.70 2.02 -1.82 0.10 112.91 119.76 3bkw h THR 195 Ca 0.27 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.33 3bkw h THR 195 Cb 0.08 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3bkw h THR 195 CO -0.13 0.06 -0.11 0.74 0.37 0.00 0.00 175.52 176.45 3bkw h THR 196 N 0.34 0.77 -0.52 3.16 2.02 -1.11 -1.20 112.91 116.36 3bkw h THR 196 Ca 0.13 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.24 3bkw h THR 196 Cb 0.05 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 3bkw h THR 196 CO -0.09 0.00 0.02 -0.07 0.37 0.00 0.00 175.52 175.75 3bkw h LEU 197 N -0.25 0.89 -1.11 2.58 3.38 -0.98 -2.18 115.31 117.64 3bkw h LEU 197 Ca -0.01 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 3bkw h LEU 197 Cb 0.23 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3bkw h LEU 197 CO -0.01 0.97 0.30 0.78 0.09 0.00 0.00 178.44 180.57 3bkw h ASN 198 N 0.78 0.84 -0.65 -0.43 2.35 -0.75 -0.67 115.58 117.05 3bkw h ASN 198 Ca 0.15 -0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 3bkw h ASN 198 Cb 0.50 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 3bkw h ASN 198 CO 0.02 0.72 0.25 0.00 -1.65 0.00 0.00 177.43 176.77 3bkw h ALA 199 N 1.41 0.85 0.03 -0.83 0.00 -0.93 0.45 119.26 120.22 3bkw h ALA 199 Ca 0.23 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3bkw h ALA 199 Cb 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3bkw h ALA 199 CO -0.03 0.48 -0.01 -0.07 0.00 0.00 0.00 179.25 179.62 3bkw h LEU 200 N 0.92 -0.03 0.03 0.00 3.38 -0.83 -1.69 115.31 117.09 3bkw h LEU 200 Ca 0.22 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3bkw h LEU 200 Cb 0.23 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3bkw h LEU 200 CO -0.02 0.07 -0.04 0.40 0.09 0.00 0.00 178.44 178.94 3bkw h ILE 201 N -0.12 0.90 -0.55 1.22 2.04 -0.94 -1.81 117.51 118.25 3bkw h ILE 201 Ca -0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 3bkw h ILE 201 Cb 0.11 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 3bkw h ILE 201 CO 0.01 0.00 0.37 -0.09 0.00 0.00 0.00 178.15 178.43 3bkw h ARG 202 N -0.09 0.49 0.00 2.37 2.43 -0.92 -1.92 114.38 116.74 3bkw h ARG 202 Ca 0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3bkw h ARG 202 Cb 0.09 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3bkw h ARG 202 CO -0.02 0.33 0.00 0.43 -1.51 0.00 0.00 179.97 179.20 3bkw n SER 203 N -4.47 0.00 0.00 -3.80 7.64 -0.64 -4.89 113.62 107.45 3bkw n SER 203 Ca 0.08 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.27 3bkw n SER 203 Cb 0.24 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 3bkw n SER 203 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3bkw n GLY 204 N 0.91 0.88 3.86 0.23 0.00 -0.72 -4.73 105.19 105.62 3bkw n GLY 204 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 3bkw n GLY 204 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bkw s PHE 205 N -2.00 3.40 -0.20 1.61 0.08 -0.72 -4.74 117.98 115.41 3bkw s PHE 205 Ca 0.00 1.10 -0.07 0.00 0.12 0.00 0.00 56.93 58.08 3bkw s PHE 205 Cb 0.00 -2.45 -0.04 0.00 -0.57 0.00 0.00 43.02 39.96 3bkw s PHE 205 CO 0.00 0.10 0.07 0.00 -0.10 0.00 0.00 175.22 175.29 3bkw s ALA 206 N -2.01 3.35 0.07 5.36 0.00 0.19 -4.04 121.76 124.68 3bkw s ALA 206 Ca 0.52 -0.84 -0.31 0.00 0.00 0.00 0.00 51.96 51.34 3bkw s ALA 206 Cb -0.10 -1.96 -0.07 0.00 0.00 0.00 0.00 23.12 20.99 3bkw s ALA 206 CO 0.21 0.02 1.31 0.42 0.00 0.00 0.00 175.76 177.72 3bkw s ILE 207 N 0.67 3.67 -0.17 0.00 -1.09 -1.26 -1.01 121.20 122.00 3bkw s ILE 207 Ca 0.03 1.18 0.04 0.00 -2.23 0.00 0.00 60.65 59.67 3bkw s ILE 207 Cb -0.13 -3.76 -0.13 0.00 -1.58 0.00 0.00 42.46 36.86 3bkw s ILE 207 CO 0.02 0.08 -0.11 -0.62 -1.23 0.00 0.00 174.94 173.07 3bkw n GLU 208 N 4.18 0.74 -3.64 2.79 1.02 0.14 -4.91 120.64 120.96 3bkw n GLU 208 Ca 0.11 0.08 -0.13 0.00 -0.02 0.00 0.00 57.16 57.20 3bkw n GLU 208 Cb 0.44 -1.36 -0.07 0.00 -0.02 0.00 0.00 31.44 30.43 3bkw n GLU 208 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3bkw s HIS 209 N -2.35 -0.81 -0.08 -0.32 5.04 -0.97 -4.98 115.29 110.81 3bkw s HIS 209 Ca -0.20 1.90 0.02 0.00 -1.54 0.00 0.00 55.06 55.24 3bkw s HIS 209 Cb 0.06 0.33 0.01 0.00 0.04 0.00 0.00 32.58 33.02 3bkw s HIS 209 CO 0.45 -0.39 -0.13 0.08 -2.34 0.00 0.00 174.74 172.40 3bkw s VAL 210 N 0.61 1.29 -0.07 0.89 1.01 -1.26 -1.07 120.40 121.79 3bkw s VAL 210 Ca -0.02 -0.54 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 3bkw s VAL 210 Cb -0.05 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 35.17 3bkw s VAL 210 CO -0.03 0.39 -0.03 -0.70 0.00 0.00 0.00 175.10 174.73 3bkw s GLU 211 N 0.83 0.92 -0.53 2.72 2.12 -0.02 -5.00 118.70 119.73 3bkw s GLU 211 Ca -0.11 -0.06 -0.18 0.00 0.36 0.00 0.00 54.97 54.98 3bkw s GLU 211 Cb -0.15 -1.08 0.09 0.00 0.26 0.00 0.00 34.13 33.25 3bkw s GLU 211 CO 0.02 -0.21 0.59 -1.21 -0.54 0.00 0.00 175.26 173.91 3bkw s GLU 212 N 1.52 3.05 0.08 4.30 2.02 -1.26 -0.07 118.70 128.34 3bkw s GLU 212 Ca -0.01 -1.24 -0.31 0.00 0.02 0.00 0.00 54.97 53.43 3bkw s GLU 212 Cb -0.13 -4.19 -0.09 0.00 0.10 0.00 0.00 34.13 29.82 3bkw s GLU 212 CO -0.04 -1.31 1.73 0.12 0.02 0.00 0.00 175.26 175.78 3bkw s PHE 213 N 2.32 2.26 -0.17 1.61 5.36 -0.76 -4.98 117.98 123.62 3bkw s PHE 213 Ca 0.10 0.16 0.00 0.00 -0.96 0.00 0.00 56.93 56.24 3bkw s PHE 213 Cb -0.23 -4.05 0.03 0.00 -0.34 0.00 0.00 43.02 38.43 3bkw s PHE 213 CO 0.08 -4.29 -0.11 0.00 -1.46 0.00 0.00 175.22 169.43 3bkw n PRO 215 N 4.74 1.11 -1.53 0.00 -0.02 -1.26 -5.00 135.00 133.04 3bkw n PRO 215 Ca -0.15 0.43 -0.30 0.00 -2.02 0.00 0.00 63.50 61.46 3bkw n PRO 215 Cb 0.48 -2.49 0.08 0.00 -0.02 0.00 0.00 33.50 31.55 3bkw n PRO 215 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3bkw s THR 216 N -1.40 3.27 0.36 3.45 -4.23 -1.26 -4.86 115.64 110.97 3bkw s THR 216 Ca 0.82 0.41 0.05 0.00 -1.18 0.00 0.00 61.69 61.78 3bkw s THR 216 Cb -0.39 -3.13 0.28 0.00 1.34 0.00 0.00 72.50 70.61 3bkw s THR 216 CO 0.41 -0.54 1.98 0.44 -0.54 0.00 0.00 174.62 176.37 3bkw h ASP 217 N -1.04 0.69 -0.53 3.99 3.32 -1.99 -1.60 116.42 119.26 3bkw h ASP 217 Ca -0.46 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.54 3bkw h ASP 217 Cb 1.25 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 3bkw h ASP 217 CO 0.58 0.47 0.16 0.00 -1.72 0.00 0.00 179.24 178.72 3bkw h ALA 218 N 1.61 0.70 -0.78 3.45 0.00 -1.99 -1.30 119.26 120.95 3bkw h ALA 218 Ca 0.28 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3bkw h ALA 218 Cb 0.13 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3bkw h ALA 218 CO -0.08 0.37 0.39 1.96 0.00 0.00 0.00 179.25 181.89 3bkw h GLN 219 N 0.74 1.11 -0.31 0.00 4.20 -1.77 -2.02 115.11 117.05 3bkw h GLN 219 Ca 0.17 -0.15 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 3bkw h GLN 219 Cb 0.30 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 3bkw h GLN 219 CO -0.00 0.84 -0.24 0.82 -0.67 0.00 0.00 178.83 179.58 3bkw h ILE 220 N 1.09 1.27 -0.31 2.54 2.04 -1.16 -0.38 117.51 122.59 3bkw h ILE 220 Ca 0.27 -1.30 -0.08 0.00 1.00 0.00 0.00 64.86 64.76 3bkw h ILE 220 Cb 0.09 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3bkw h ILE 220 CO -0.04 0.42 -0.10 0.74 0.00 0.00 0.00 178.15 179.17 3bkw h THR 221 N 0.52 1.28 -0.18 -0.27 2.02 -1.07 -2.20 112.91 113.02 3bkw h THR 221 Ca 0.08 -1.17 -0.11 0.00 0.77 0.00 0.00 66.41 65.98 3bkw h THR 221 Cb 0.69 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 3bkw h THR 221 CO 0.05 0.37 -0.38 0.00 0.37 0.00 0.00 175.52 175.94 3bkw h ALA 222 N 0.78 1.02 -2.64 6.16 0.00 -1.29 -3.38 119.26 119.92 3bkw h ALA 222 Ca 0.08 -0.41 -0.60 0.00 0.00 0.00 0.00 54.91 53.98 3bkw h ALA 222 Cb 0.60 -0.10 -0.40 0.00 0.00 0.00 0.00 17.79 17.90 3bkw h ALA 222 CO 0.04 0.60 -0.82 0.54 0.00 0.00 0.00 179.25 179.61 3bkw n ARG 223 N -4.05 0.85 -0.51 0.00 1.74 -0.16 -5.02 116.66 109.51 3bkw n ARG 223 Ca -0.01 -3.70 0.42 0.00 -0.77 0.00 0.00 57.85 53.79 3bkw n ARG 223 Cb 0.48 -1.91 0.73 0.00 -1.02 0.00 0.00 32.46 30.74 3bkw n ARG 223 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3bkw h PRO 224 N 5.50 0.05 -0.11 5.56 0.11 -1.58 0.34 132.00 141.87 3bkw h PRO 224 Ca 0.22 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.36 3bkw h PRO 224 Cb 0.85 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.94 3bkw h PRO 224 CO 0.51 0.03 0.10 1.05 -0.21 0.00 0.00 178.00 179.48 3bkw h GLU 225 N 0.05 0.00 0.00 1.05 9.09 -1.95 -2.77 114.58 120.05 3bkw h GLU 225 Ca 0.80 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.21 3bkw h GLU 225 Cb 2.92 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 30.02 3bkw h GLU 225 CO -0.18 0.00 0.00 -0.07 0.05 0.00 0.00 179.01 178.81 3bkw h LEU 226 N 0.00 0.00 -1.61 3.06 3.38 -1.22 -3.26 115.31 115.66 3bkw h LEU 226 Ca 0.05 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.19 3bkw h LEU 226 Cb 0.25 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 3bkw h LEU 226 CO -0.00 0.00 0.52 0.00 0.09 0.00 0.00 178.44 179.05 3bkw h ALA 227 N 2.16 2.18 0.00 1.53 0.00 -1.69 -1.60 119.26 121.84 3bkw h ALA 227 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3bkw h ALA 227 Cb 0.27 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3bkw h ALA 227 CO 0.00 -0.40 -0.15 1.05 0.00 0.00 0.00 179.25 179.75 3bkw h GLU 228 N 0.37 0.00 0.00 0.00 4.11 -1.82 -2.54 114.58 114.69 3bkw h GLU 228 Ca 0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.81 3bkw h GLU 228 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3bkw h GLU 228 CO -0.12 0.15 0.00 0.39 0.07 0.00 0.00 179.01 179.50 3bkw n GLU 229 N -3.53 0.02 0.23 1.06 4.71 -0.60 -1.86 120.64 120.68 3bkw n GLU 229 Ca -0.01 0.22 0.09 0.00 -0.01 0.00 0.00 57.16 57.45 3bkw n GLU 229 Cb 0.30 -1.54 0.57 0.00 -1.01 0.00 0.00 31.44 29.75 3bkw n GLU 229 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 3bkw h LEU 230 N 0.00 0.00 0.10 -4.62 3.38 -1.59 -3.28 115.31 109.29 3bkw h LEU 230 Ca 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 3bkw h LEU 230 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3bkw h LEU 230 CO 0.00 0.21 -1.39 0.44 0.09 0.00 0.00 178.44 177.79 3bkw h ASP 231 N 0.00 0.32 -4.35 -0.43 3.32 -1.55 -3.47 116.42 110.25 3bkw h ASP 231 Ca -0.00 -0.41 -0.09 0.00 0.02 0.00 0.00 57.03 56.55 3bkw h ASP 231 Cb 0.53 -0.10 -0.22 0.00 0.22 0.00 0.00 39.33 39.76 3bkw h ASP 231 CO 0.03 1.33 -0.08 0.00 -1.72 0.00 0.00 179.24 178.80 3bkw s ARG 232 N -2.64 0.71 0.10 3.56 1.04 -1.23 -4.93 118.95 115.57 3bkw s ARG 232 Ca -0.06 0.44 -0.02 0.00 -1.04 0.00 0.00 55.73 55.06 3bkw s ARG 232 Cb 0.07 0.34 0.02 0.00 -2.04 0.00 0.00 34.95 33.34 3bkw s ARG 232 CO 0.86 -0.14 0.14 -0.35 -0.04 0.00 0.00 175.30 175.76 3bkw n PRO 233 N 2.12 -0.04 -0.45 3.89 -0.04 -1.26 -4.47 135.00 134.75 3bkw n PRO 233 Ca -0.16 -0.24 -0.14 0.00 -0.04 0.00 0.00 63.50 62.92 3bkw n PRO 233 Cb 0.56 -0.14 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 3bkw n PRO 233 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3bkw n PHE 235 N -2.10 -1.07 -4.45 0.54 3.72 -1.26 -3.99 117.46 108.84 3bkw n PHE 235 Ca 0.02 0.16 -0.34 0.00 -0.05 0.00 0.00 57.45 57.24 3bkw n PHE 235 Cb 0.06 -0.61 -0.14 0.00 -0.94 0.00 0.00 39.48 37.86 3bkw n PHE 235 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 3bkw s LEU 236 N 1.84 2.83 -0.12 4.37 2.96 -0.04 -1.82 118.68 128.70 3bkw s LEU 236 Ca 0.20 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.79 3bkw s LEU 236 Cb -0.18 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 3bkw s LEU 236 CO 0.24 0.11 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.49 3bkw s LEU 237 N 0.69 2.73 -0.02 -0.68 1.43 0.90 -1.25 118.68 122.48 3bkw s LEU 237 Ca -0.05 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 52.77 3bkw s LEU 237 Cb -0.15 -1.61 -0.00 0.00 0.03 0.00 0.00 46.19 44.46 3bkw s LEU 237 CO 0.02 0.18 -0.09 -0.69 0.23 0.00 0.00 176.35 176.00 3bkw s VAL 238 N 0.26 0.78 -0.06 -1.59 1.01 -0.10 -0.84 120.40 119.86 3bkw s VAL 238 Ca -0.09 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.56 3bkw s VAL 238 Cb -0.15 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 3bkw s VAL 238 CO 0.05 0.23 -0.25 -0.55 0.00 0.00 0.00 175.10 174.59 3bkw s SER 239 N -0.02 3.05 0.05 3.32 0.15 -0.24 -0.97 113.70 119.04 3bkw s SER 239 Ca 0.00 -0.51 -0.03 0.00 0.70 0.00 0.00 55.95 56.11 3bkw s SER 239 Cb -0.06 -0.82 -0.02 0.00 -1.71 0.00 0.00 66.02 63.40 3bkw s SER 239 CO 0.00 0.25 0.04 0.00 1.20 0.00 0.00 173.24 174.73 3bkw s ALA 240 N -0.17 0.20 0.12 5.45 0.00 0.35 -0.68 121.76 127.03 3bkw s ALA 240 Ca -0.03 -0.89 0.10 0.00 0.00 0.00 0.00 51.96 51.14 3bkw s ALA 240 Cb -0.14 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 3bkw s ALA 240 CO 0.04 -0.36 -0.24 0.50 0.00 0.00 0.00 175.76 175.69 3bkw s ARG 241 N -3.37 1.27 0.00 0.00 3.52 -0.18 -0.94 118.95 119.25 3bkw s ARG 241 Ca 0.02 -1.27 0.00 0.00 -0.13 0.00 0.00 55.73 54.35 3bkw s ARG 241 Cb 0.04 -1.64 0.00 0.00 -1.56 0.00 0.00 34.95 31.79 3bkw s ARG 241 CO -0.08 0.38 0.46 2.89 -0.81 0.00 0.00 175.30 178.15