#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mka s VAL -38 N 0.00 -0.02 -0.21 0.00 1.01 -1.26 -5.14 120.40 114.77 3mka s VAL -38 Ca 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 61.98 61.99 3mka s VAL -38 Cb 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.97 3mka s VAL -38 CO 0.00 0.03 0.03 -0.62 0.00 0.00 0.00 175.10 174.54 3mka s ASP -37 N 0.72 4.98 0.00 3.32 -1.08 -1.26 -4.91 116.67 118.43 3mka s ASP -37 Ca -0.05 -0.18 0.22 0.00 -0.52 0.00 0.00 52.55 52.01 3mka s ASP -37 Cb -0.06 -1.87 -0.11 0.00 -1.46 0.00 0.00 42.92 39.42 3mka s ASP -37 CO -0.04 0.04 0.97 0.18 0.52 0.00 0.00 175.17 176.83 3mka n LEU -36 N 4.41 0.87 -0.44 -1.34 4.77 -1.26 -4.95 117.00 119.06 3mka n LEU -36 Ca -0.17 -0.38 -0.06 0.00 -0.03 0.00 0.00 56.01 55.37 3mka n LEU -36 Cb 0.52 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.54 3mka n LEU -36 CO 0.32 0.21 -0.05 -1.20 -1.33 0.00 0.00 177.39 175.33 3mka n SER -35 N -1.55 -3.79 -4.65 -1.43 7.64 -1.26 -5.01 113.62 103.57 3mka n SER -35 Ca 0.04 0.14 -0.40 0.00 1.01 0.00 0.00 58.87 59.67 3mka n SER -35 Cb 0.34 -1.80 -0.07 0.00 -1.01 0.00 0.00 64.21 61.67 3mka n SER -35 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3mka s SER -34 N -2.83 6.54 0.50 6.43 0.15 -1.26 -4.29 113.70 118.94 3mka s SER -34 Ca 0.00 0.66 0.26 0.00 0.70 0.00 0.00 55.95 57.57 3mka s SER -34 Cb 0.00 -2.30 1.31 0.00 -1.71 0.00 0.00 66.02 63.32 3mka s SER -34 CO 0.00 -0.23 2.01 0.15 1.20 0.00 0.00 173.24 176.37 3mka h PHE -33 N 7.64 0.00 -0.26 3.44 3.57 -1.92 -2.62 116.94 126.80 3mka h PHE -33 Ca -0.32 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.16 3mka h PHE -33 Cb 1.15 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 3mka h PHE -33 CO 0.72 0.15 0.05 1.79 -2.23 0.00 0.00 178.31 178.79 3mka h THR -32 N 0.00 1.22 0.13 4.41 1.35 -1.94 0.66 112.91 118.74 3mka h THR -32 Ca -0.00 -0.74 -0.01 0.00 -0.55 0.00 0.00 66.41 65.11 3mka h THR -32 Cb 0.43 1.22 -0.00 0.00 -1.73 0.00 0.00 68.15 68.07 3mka h THR -32 CO 0.02 0.24 -0.09 0.44 -0.25 0.00 0.00 175.52 175.88 3mka h ASP -31 N 0.24 -0.23 -0.95 5.36 5.19 -1.90 0.16 116.42 124.29 3mka h ASP -31 Ca 0.08 0.01 0.11 0.00 -0.62 0.00 0.00 57.03 56.61 3mka h ASP -31 Cb 0.31 0.07 -0.07 0.00 0.18 0.00 0.00 39.33 39.81 3mka h ASP -31 CO 0.00 -0.13 0.61 0.15 -3.12 0.00 0.00 179.24 176.75 3mka h PHE -30 N -0.20 1.05 -0.74 4.55 3.57 -1.58 0.68 116.94 124.27 3mka h PHE -30 Ca -0.02 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3mka h PHE -30 Cb 0.17 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 3mka h PHE -30 CO 0.03 0.45 0.41 1.25 -2.23 0.00 0.00 178.31 178.21 3mka h LEU -29 N 0.94 0.91 -0.23 0.59 5.85 -0.76 -0.46 115.31 122.15 3mka h LEU -29 Ca 0.46 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 59.07 3mka h LEU -29 Cb 0.46 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3mka h LEU -29 CO -0.22 0.74 0.08 -0.09 -0.34 0.00 0.00 178.44 178.61 3mka h ARG -28 N 1.01 0.35 -0.03 1.25 9.65 0.33 0.31 114.38 127.25 3mka h ARG -28 Ca 0.26 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 59.05 3mka h ARG -28 Cb 0.03 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 28.55 3mka h ARG -28 CO -0.04 0.43 -0.03 0.00 2.80 0.00 0.00 179.97 183.13 3mka h ARG -27 N 0.20 0.08 -0.13 0.20 3.08 -0.94 -1.33 114.38 115.53 3mka h ARG -27 Ca 0.07 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.00 3mka h ARG -27 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3mka h ARG -27 CO -0.00 0.53 -0.26 1.96 -1.07 0.00 0.00 179.97 181.13 3mka h GLN -26 N -0.37 0.40 -2.13 0.04 1.08 -1.15 -3.40 115.11 109.59 3mka h GLN -26 Ca 0.01 -0.26 -0.57 0.00 -1.45 0.00 0.00 58.65 56.37 3mka h GLN -26 Cb 0.51 0.03 -0.39 0.00 -0.05 0.00 0.00 27.48 27.58 3mka h GLN -26 CO 0.01 0.86 -1.05 0.00 -0.95 0.00 0.00 178.83 177.70 3mka n ALA -25 N -2.47 2.63 -0.15 3.87 0.00 0.10 -4.96 120.51 119.52 3mka n ALA -25 Ca -0.07 -3.38 -0.01 0.00 0.00 0.00 0.00 53.44 49.99 3mka n ALA -25 Cb 0.45 -0.80 0.23 0.00 0.00 0.00 0.00 19.45 19.33 3mka n ALA -25 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3mka h PRO -24 N 4.50 0.87 0.00 0.00 0.11 -0.72 -2.06 132.00 134.70 3mka h PRO -24 Ca 0.13 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3mka h PRO -24 Cb 0.88 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.83 3mka h PRO -24 CO 0.45 0.68 0.00 0.93 -0.21 0.00 0.00 178.00 179.86 3mka h GLU -23 N 0.87 0.00 0.00 1.05 4.39 -1.85 0.56 114.58 119.59 3mka h GLU -23 Ca 0.21 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.90 3mka h GLU -23 Cb 0.11 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 3mka h GLU -23 CO -0.03 0.00 -0.08 -0.07 -1.16 0.00 0.00 179.01 177.68 3mka h LEU -22 N 0.00 0.00-10.05 1.33 4.07 -1.68 -3.44 115.31 105.54 3mka h LEU -22 Ca 0.00 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.43 3mka h LEU -22 Cb 0.13 0.00 0.10 0.00 1.08 0.00 0.00 40.66 41.97 3mka h LEU -22 CO 0.00 0.08 0.52 -0.76 -1.08 0.00 0.00 178.44 177.20 3mka s LEU -21 N -6.48 3.84 0.62 1.67 1.02 0.20 -4.98 118.68 114.57 3mka s LEU -21 Ca 0.00 2.47 -0.18 0.00 0.02 0.00 0.00 54.13 56.44 3mka s LEU -21 Cb 0.10 -4.38 -0.03 0.00 0.02 0.00 0.00 46.19 41.90 3mka s LEU -21 CO 0.57 -1.35 1.24 -2.84 0.02 0.00 0.00 176.35 173.99 3mka s PRO -20 N -2.99 2.80 0.00 1.29 0.02 -1.26 -5.08 135.00 129.78 3mka s PRO -20 Ca 0.71 1.91 0.00 0.00 0.02 0.00 0.00 61.00 63.64 3mka s PRO -20 Cb -0.33 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.30 3mka s PRO -20 CO 0.38 -1.36 0.00 0.00 -0.33 0.00 0.00 177.00 175.69 3mka n ALA -19 N -1.73 0.00 0.00 -1.55 0.00 -1.26 -5.13 120.51 110.84 3mka n ALA -19 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3mka n ALA -19 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3mka n ALA -19 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3mka n LEU -4 N 0.00 0.00 -4.77 0.00 7.94 -1.26 -5.01 117.00 113.90 3mka n LEU -4 Ca 0.00 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.49 3mka n LEU -4 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 3mka n LEU -4 CO 0.00 0.00 1.11 -2.84 -1.11 0.00 0.00 177.39 174.55 3mka s PRO -3 N -3.29 4.19 0.11 1.96 0.02 -1.26 -4.67 135.00 132.07 3mka s PRO -3 Ca 0.00 2.45 -0.26 0.00 0.02 0.00 0.00 61.00 63.21 3mka s PRO -3 Cb 0.00 -3.02 0.08 0.00 0.02 0.00 0.00 34.50 31.58 3mka s PRO -3 CO 0.00 -0.45 1.09 -3.38 -0.33 0.00 0.00 177.00 173.93 3mka s HIS -2 N -0.81 -0.03 0.00 6.54 -3.43 -0.77 -2.68 115.29 114.11 3mka s HIS -2 Ca 0.54 -0.24 0.00 0.00 -0.80 0.00 0.00 55.06 54.56 3mka s HIS -2 Cb -0.44 0.63 0.00 0.00 -1.43 0.00 0.00 32.58 31.34 3mka s HIS -2 CO 0.56 -0.69 0.00 0.41 -2.00 0.00 0.00 174.74 173.02 3mka n GLY -1 N -0.59 0.52 3.46 -1.38 0.00 -1.25 -2.13 105.19 103.83 3mka n GLY -1 Ca -0.05 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.83 3mka n GLY -1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mka s ALA 301 N 0.00 -1.71 -0.09 4.61 0.00 -1.26 -4.53 121.76 118.78 3mka s ALA 301 Ca 0.00 0.77 0.02 0.00 0.00 0.00 0.00 51.96 52.75 3mka s ALA 301 Cb 0.00 0.62 0.02 0.00 0.00 0.00 0.00 23.12 23.76 3mka s ALA 301 CO 0.00 -0.71 -0.12 0.99 0.00 0.00 0.00 175.76 175.91 3mka s THR 302 N -3.35 1.22 -0.06 0.00 2.01 -1.26 -1.56 115.64 112.64 3mka s THR 302 Ca 0.02 -0.49 0.03 0.00 0.31 0.00 0.00 61.69 61.57 3mka s THR 302 Cb -0.01 -1.14 0.01 0.00 0.01 0.00 0.00 72.50 71.37 3mka s THR 302 CO -0.10 0.38 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.43 3mka s ILE 303 N 0.97 1.29 0.25 1.82 1.01 -0.00 -2.43 121.20 124.10 3mka s ILE 303 Ca -0.08 -0.59 0.10 0.00 0.00 0.00 0.00 60.65 60.08 3mka s ILE 303 Cb -0.15 -1.15 -0.05 0.00 0.01 0.00 0.00 42.46 41.12 3mka s ILE 303 CO -0.00 0.39 -0.17 0.68 0.00 0.00 0.00 174.94 175.84 3mka s VAL 304 N 0.46 2.10 -0.19 2.92 -7.23 0.42 -1.19 120.40 117.70 3mka s VAL 304 Ca -0.12 -2.31 -0.17 0.00 -1.81 0.00 0.00 61.98 57.57 3mka s VAL 304 Cb -0.15 -2.19 0.05 0.00 0.56 0.00 0.00 36.38 34.65 3mka s VAL 304 CO 0.04 -0.49 0.50 0.00 -0.31 0.00 0.00 175.10 174.84 3mka s ALA 305 N -2.74 -1.23 0.09 1.32 0.00 -0.49 -1.13 121.76 117.58 3mka s ALA 305 Ca 0.26 1.42 -0.08 0.00 0.00 0.00 0.00 51.96 53.56 3mka s ALA 305 Cb -0.03 -0.83 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 3mka s ALA 305 CO 0.11 -0.24 0.18 -0.48 0.00 0.00 0.00 175.76 175.33 3mka s LEU 306 N 0.32 1.48 -0.17 0.00 0.05 -0.48 -0.95 118.68 118.93 3mka s LEU 306 Ca -0.00 -0.70 -0.07 0.00 0.05 0.00 0.00 54.13 53.40 3mka s LEU 306 Cb -0.04 0.97 -0.04 0.00 -2.05 0.00 0.00 46.19 45.03 3mka s LEU 306 CO -0.00 -0.73 0.07 -0.54 -0.55 0.00 0.00 176.35 174.60 3mka s LYS 307 N -3.87 3.91 0.25 1.48 1.02 0.37 -0.94 119.74 121.95 3mka s LYS 307 Ca 0.06 -0.31 0.11 0.00 0.02 0.00 0.00 55.97 55.84 3mka s LYS 307 Cb 0.05 -3.21 -0.05 0.00 -0.52 0.00 0.00 37.83 34.10 3mka s LYS 307 CO -0.10 0.35 -0.19 1.52 -0.92 0.00 0.00 175.35 176.01 3mka s TYR 308 N 0.17 2.13 0.14 3.18 -0.85 -0.69 -4.95 117.35 116.49 3mka s TYR 308 Ca 0.05 -0.40 -0.33 0.00 -0.52 0.00 0.00 57.07 55.87 3mka s TYR 308 Cb -0.12 -0.95 -0.13 0.00 0.38 0.00 0.00 41.96 41.14 3mka s TYR 308 CO 0.00 0.60 1.66 -0.35 -1.52 0.00 0.00 175.55 175.95 3mka n PRO 309 N -0.46 2.34 -1.66 -3.49 -0.04 -1.26 -0.71 135.00 129.71 3mka n PRO 309 Ca -0.07 0.85 -0.17 0.00 -0.04 0.00 0.00 63.50 64.07 3mka n PRO 309 Cb 0.60 -2.65 -0.06 0.00 -0.04 0.00 0.00 33.50 31.35 3mka n PRO 309 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mka n GLY 310 N 3.71 1.26 3.79 0.55 0.00 0.11 -4.81 105.19 109.79 3mka n GLY 310 Ca 0.17 -0.21 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 3mka n GLY 310 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3mka s GLY 311 N -2.70 -0.18 -0.03 -0.02 0.00 0.11 -4.25 107.32 100.25 3mka s GLY 311 Ca 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 44.72 44.53 3mka s GLY 311 CO 0.00 -0.03 0.21 0.54 0.00 0.00 0.00 173.10 173.82 3mka s VAL 312 N -3.72 0.05 0.08 1.40 0.11 -0.62 -1.71 120.40 115.99 3mka s VAL 312 Ca 0.10 -0.42 0.04 0.00 -2.93 0.00 0.00 61.98 58.78 3mka s VAL 312 Cb -0.04 -0.45 -0.03 0.00 -1.53 0.00 0.00 36.38 34.33 3mka s VAL 312 CO 0.04 -0.23 -0.12 0.54 -3.33 0.00 0.00 175.10 172.00 3mka s VAL 313 N -0.90 0.97 -0.10 2.04 0.11 -0.11 -1.15 120.40 121.25 3mka s VAL 313 Ca -0.10 -1.39 -0.08 0.00 -2.93 0.00 0.00 61.98 57.48 3mka s VAL 313 Cb -0.05 -1.10 0.03 0.00 -1.53 0.00 0.00 36.38 33.73 3mka s VAL 313 CO 0.02 -0.37 0.26 -0.32 -3.33 0.00 0.00 175.10 171.36 3mka s MET 314 N -2.09 0.28 0.04 1.54 1.75 -0.23 -1.39 119.30 119.21 3mka s MET 314 Ca -0.01 0.43 -0.05 0.00 -1.25 0.00 0.00 55.69 54.81 3mka s MET 314 Cb -0.07 0.05 -0.01 0.00 2.84 0.00 0.00 34.83 37.64 3mka s MET 314 CO 0.01 -0.08 0.09 0.00 -0.65 0.00 0.00 175.02 174.39 3mka s ALA 315 N 0.55 -0.04 0.08 4.11 0.00 -0.28 -0.51 121.76 125.67 3mka s ALA 315 Ca -0.03 -0.59 -0.12 0.00 0.00 0.00 0.00 51.96 51.22 3mka s ALA 315 Cb -0.05 0.26 0.01 0.00 0.00 0.00 0.00 23.12 23.35 3mka s ALA 315 CO -0.03 -0.33 0.27 0.20 0.00 0.00 0.00 175.76 175.87 3mka s GLY 316 N -2.21 -0.05 0.86 0.00 0.00 -0.83 -0.44 107.32 104.66 3mka s GLY 316 Ca -0.04 -0.27 -0.12 0.00 0.00 0.00 0.00 44.72 44.29 3mka s GLY 316 CO -0.05 -0.48 1.21 0.51 0.00 0.00 0.00 173.10 174.28 3mka s ASP 317 N -2.51 3.81 0.00 1.64 1.47 -1.02 -2.27 116.67 117.80 3mka s ASP 317 Ca 0.00 0.32 0.09 0.00 1.18 0.00 0.00 52.55 54.14 3mka s ASP 317 Cb 0.02 -0.58 0.13 0.00 -0.34 0.00 0.00 42.92 42.15 3mka s ASP 317 CO -0.08 -2.28 0.93 0.54 0.68 0.00 0.00 175.17 174.95 3mka n ARG 318 N -3.43 1.09 -2.79 2.11 5.12 -1.26 -4.59 116.66 112.91 3mka n ARG 318 Ca 0.13 -1.34 -0.34 0.00 -1.93 0.00 0.00 57.85 54.36 3mka n ARG 318 Cb 0.60 -1.20 -0.07 0.00 -1.16 0.00 0.00 32.46 30.64 3mka n ARG 318 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3mka s ARG 319 N -0.86 4.33 -0.03 5.56 6.06 -1.26 -2.36 118.95 130.40 3mka s ARG 319 Ca 0.14 1.21 0.01 0.00 -2.50 0.00 0.00 55.73 54.59 3mka s ARG 319 Cb 0.09 -2.39 0.02 0.00 0.06 0.00 0.00 34.95 32.72 3mka s ARG 319 CO 0.12 0.05 -0.03 0.45 -2.50 0.00 0.00 175.30 173.40 3mka s SER 320 N -1.97 0.63 0.13 -2.12 0.15 0.07 -4.72 113.70 105.87 3mka s SER 320 Ca 0.58 -0.08 0.07 0.00 0.70 0.00 0.00 55.95 57.22 3mka s SER 320 Cb -0.13 -0.25 -0.04 0.00 -1.71 0.00 0.00 66.02 63.89 3mka s SER 320 CO 0.17 -0.03 -0.17 0.42 1.20 0.00 0.00 173.24 174.83 3mka s THR 321 N 0.63 1.54 -0.36 6.45 -4.23 -0.90 0.51 115.64 119.28 3mka s THR 321 Ca -0.07 -1.72 0.01 0.00 -1.18 0.00 0.00 61.69 58.73 3mka s THR 321 Cb -0.10 -1.60 0.11 0.00 1.34 0.00 0.00 72.50 72.24 3mka s THR 321 CO -0.01 -0.30 0.14 -1.10 -0.54 0.00 0.00 174.62 172.81 3mka s GLN 322 N -2.50 1.08 7.24 3.99 -0.21 0.14 -1.85 119.66 127.55 3mka s GLN 322 Ca 0.10 -1.57 0.00 0.00 0.02 0.00 0.00 55.36 53.91 3mka s GLN 322 Cb -0.06 -2.38 0.00 0.00 1.00 0.00 0.00 33.01 31.56 3mka s GLN 322 CO 0.04 -1.04 0.00 0.41 -2.12 0.00 0.00 175.29 172.59 3mka n GLY 323 N 4.27 1.92 0.03 3.09 0.00 -1.26 -2.28 105.19 110.97 3mka n GLY 323 Ca 0.03 -0.44 0.11 0.00 0.00 0.00 0.00 46.02 45.72 3mka n GLY 323 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mka n ASN 324 N 7.74 0.55 -4.76 1.61 3.02 -1.26 -4.92 115.26 117.24 3mka n ASN 324 Ca 0.00 -0.20 -0.39 0.00 -0.03 0.00 0.00 54.58 53.96 3mka n ASN 324 Cb 0.00 1.02 -0.05 0.00 -0.61 0.00 0.00 39.78 40.15 3mka n ASN 324 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3mka s MET 325 N -3.26 4.57 -0.33 3.52 -1.94 -0.96 -4.99 119.30 115.91 3mka s MET 325 Ca 0.01 1.64 -0.25 0.00 -1.71 0.00 0.00 55.69 55.38 3mka s MET 325 Cb 0.14 -3.02 0.01 0.00 2.01 0.00 0.00 34.83 33.97 3mka s MET 325 CO 0.83 0.19 0.90 0.42 -0.01 0.00 0.00 175.02 177.35 3mka s ILE 326 N -1.32 4.66 -0.13 2.53 1.01 -1.26 -0.68 121.20 126.02 3mka s ILE 326 Ca 0.47 1.30 0.19 0.00 0.00 0.00 0.00 60.65 62.61 3mka s ILE 326 Cb -0.27 -4.27 -0.20 0.00 0.01 0.00 0.00 42.46 37.73 3mka s ILE 326 CO 0.35 -0.39 0.57 -1.54 0.00 0.00 0.00 174.94 173.93 3mka n SER 327 N 6.53 0.45 -3.80 3.58 3.41 0.18 -4.91 113.62 119.06 3mka n SER 327 Ca 0.07 0.19 -0.13 0.00 -0.26 0.00 0.00 58.87 58.74 3mka n SER 327 Cb 0.48 0.82 -0.09 0.00 -0.26 0.00 0.00 64.21 65.15 3mka n SER 327 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3mka s GLY 328 N -4.87 -0.09 0.00 5.00 0.00 -0.43 -4.92 107.32 102.01 3mka s GLY 328 Ca -0.06 0.19 0.00 0.00 0.00 0.00 0.00 44.72 44.85 3mka s GLY 328 CO 0.84 0.01 0.38 -0.96 0.00 0.00 0.00 173.10 173.36 3mka n ARG 329 N 1.39 -0.12 0.00 2.90 1.85 -1.25 -0.75 116.66 120.67 3mka n ARG 329 Ca -0.22 -0.44 0.00 0.00 -1.00 0.00 0.00 57.85 56.20 3mka n ARG 329 Cb 0.56 -0.78 0.00 0.00 -1.05 0.00 0.00 32.46 31.19 3mka n ARG 329 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 3mka n ASP 330 N -0.06 0.53 -4.52 2.89 5.75 -1.12 -4.57 116.55 115.45 3mka n ASP 330 Ca 0.00 -0.77 -0.58 0.00 -0.01 0.00 0.00 54.79 53.43 3mka n ASP 330 Cb 0.16 0.43 -0.08 0.00 -1.03 0.00 0.00 41.12 40.60 3mka n ASP 330 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 3mka n VAL 331 N -0.43 0.00 -3.80 2.12 0.31 -0.99 -4.97 118.33 110.57 3mka n VAL 331 Ca 0.00 -0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.97 3mka n VAL 331 Cb 0.00 -0.16 -0.07 0.00 -0.91 0.00 0.00 33.84 32.71 3mka n VAL 331 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3mka s ARG 332 N 0.15 3.83 0.00 5.55 3.52 -1.26 -4.25 118.95 126.48 3mka s ARG 332 Ca 0.90 -0.17 0.00 0.00 -0.13 0.00 0.00 55.73 56.33 3mka s ARG 332 Cb -1.22 -3.31 0.00 0.00 -1.56 0.00 0.00 34.95 28.86 3mka s ARG 332 CO 0.56 0.53 0.22 1.63 -0.81 0.00 0.00 175.30 177.43 3mka n LYS 333 N 2.78 -0.25 -4.71 5.12 5.02 -1.26 -4.96 118.16 119.88 3mka n LYS 333 Ca -0.18 -0.22 -0.33 0.00 -2.02 0.00 0.00 58.31 55.56 3mka n LYS 333 Cb 0.53 -0.70 -0.16 0.00 -0.02 0.00 0.00 35.03 34.68 3mka n LYS 333 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3mka s VAL 334 N -0.03 2.20 0.01 -0.18 1.01 -1.26 -2.26 120.40 119.89 3mka s VAL 334 Ca 0.00 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.08 3mka s VAL 334 Cb 0.00 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 3mka s VAL 334 CO 0.00 0.54 -0.11 -0.31 0.00 0.00 0.00 175.10 175.22 3mka s TYR 335 N 0.75 0.98 -0.13 5.22 2.02 -0.63 -4.98 117.35 120.57 3mka s TYR 335 Ca -0.08 -0.24 -0.29 0.00 -0.37 0.00 0.00 57.07 56.09 3mka s TYR 335 Cb -0.16 -0.61 -0.01 0.00 -0.40 0.00 0.00 41.96 40.78 3mka s TYR 335 CO -0.00 -0.01 1.10 0.42 -1.57 0.00 0.00 175.55 175.49 3mka s ILE 336 N -0.46 4.55 -0.62 2.71 1.01 -1.26 -0.57 121.20 126.56 3mka s ILE 336 Ca 0.02 1.85 0.18 0.00 0.00 0.00 0.00 60.65 62.70 3mka s ILE 336 Cb -0.05 -4.19 -0.21 0.00 0.01 0.00 0.00 42.46 38.01 3mka s ILE 336 CO 0.00 -0.05 0.65 0.35 0.00 0.00 0.00 174.94 175.89 3mka n THR 337 N 4.84 0.00 -3.88 2.92 -2.24 0.53 -4.93 114.28 111.51 3mka n THR 337 Ca 0.11 -0.17 -0.02 0.00 -2.27 0.00 0.00 64.05 61.70 3mka n THR 337 Cb 0.47 0.76 0.01 0.00 -2.10 0.00 0.00 70.33 69.47 3mka n THR 337 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3mka s ASP 338 N -3.04 -0.01 0.47 3.42 1.47 -1.17 -4.59 116.67 113.23 3mka s ASP 338 Ca 0.03 -0.53 0.32 0.00 1.18 0.00 0.00 52.55 53.55 3mka s ASP 338 Cb 0.13 0.41 1.71 0.00 -0.34 0.00 0.00 42.92 44.82 3mka s ASP 338 CO 0.73 -0.80 1.98 0.44 0.68 0.00 0.00 175.17 178.20 3mka h ASP 339 N 2.00 0.00 0.00 2.11 3.32 -1.95 -3.01 116.42 118.89 3mka h ASP 339 Ca -0.26 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.79 3mka h ASP 339 Cb 1.21 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 3mka h ASP 339 CO 0.34 0.00 -0.25 -1.22 -1.72 0.00 0.00 179.24 176.39 3mka n TYR 340 N -2.63 0.00 -3.71 4.55 4.01 -1.26 -1.18 117.16 116.94 3mka n TYR 340 Ca -0.02 -0.52 -0.14 0.00 -0.16 0.00 0.00 57.90 57.07 3mka n TYR 340 Cb 0.06 -0.10 -0.08 0.00 -0.31 0.00 0.00 39.34 38.92 3mka n TYR 340 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3mka s THR 341 N -1.47 0.05 0.04 -0.72 -4.23 -1.14 -1.18 115.64 106.99 3mka s THR 341 Ca 0.17 -0.42 -0.01 0.00 -1.18 0.00 0.00 61.69 60.25 3mka s THR 341 Cb 0.15 -0.76 -0.03 0.00 1.34 0.00 0.00 72.50 73.19 3mka s THR 341 CO 0.01 -0.23 -0.03 0.00 -0.54 0.00 0.00 174.62 173.83 3mka s ALA 342 N -1.62 0.36 0.02 3.99 0.00 0.44 -0.35 121.76 124.60 3mka s ALA 342 Ca -0.11 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 50.94 3mka s ALA 342 Cb -0.03 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.29 3mka s ALA 342 CO 0.03 -0.28 -0.14 0.95 0.00 0.00 0.00 175.76 176.33 3mka s THR 343 N -2.90 1.07 -0.07 0.00 -4.23 0.26 -1.47 115.64 108.29 3mka s THR 343 Ca -0.02 -0.82 0.04 0.00 -1.18 0.00 0.00 61.69 59.71 3mka s THR 343 Cb 0.01 -0.94 0.00 0.00 1.34 0.00 0.00 72.50 72.91 3mka s THR 343 CO -0.06 0.12 -0.19 -0.83 -0.54 0.00 0.00 174.62 173.11 3mka s GLY 344 N -0.80 1.09 -0.06 3.99 0.00 -0.32 -1.60 107.32 109.61 3mka s GLY 344 Ca 0.03 -0.76 0.05 0.00 0.00 0.00 0.00 44.72 44.04 3mka s GLY 344 CO 0.01 -0.23 -0.21 -0.42 0.00 0.00 0.00 173.10 172.25 3mka s ILE 345 N 0.33 1.73 0.06 0.90 1.01 -0.96 0.02 121.20 124.29 3mka s ILE 345 Ca -0.13 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 59.70 3mka s ILE 345 Cb -0.16 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 3mka s ILE 345 CO 0.06 0.49 -0.05 0.00 0.00 0.00 0.00 174.94 175.43 3mka s ALA 346 N 0.09 3.10 0.00 9.38 0.00 -0.80 -4.92 121.76 128.62 3mka s ALA 346 Ca -0.08 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.78 3mka s ALA 346 Cb -0.14 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 21.88 3mka s ALA 346 CO 0.04 0.65 0.00 0.41 0.00 0.00 0.00 175.76 176.86 3mka n GLY 347 N 1.00 0.62 3.67 0.00 0.00 -1.26 -0.22 105.19 109.01 3mka n GLY 347 Ca -0.13 -2.22 -0.45 0.00 0.00 0.00 0.00 46.02 43.22 3mka n GLY 347 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3mka n THR 348 N 1.62 0.44 -0.29 2.61 -1.04 -0.95 -3.95 114.28 112.72 3mka n THR 348 Ca 0.00 -0.11 -0.06 0.00 -2.04 0.00 0.00 64.05 61.85 3mka n THR 348 Cb 0.00 -1.52 0.07 0.00 -1.82 0.00 0.00 70.33 67.07 3mka n THR 348 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3mka h ALA 349 N 5.14 1.06 -0.46 2.41 0.00 -1.87 -1.08 119.26 124.46 3mka h ALA 349 Ca -0.45 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.26 3mka h ALA 349 Cb 1.26 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3mka h ALA 349 CO 0.83 0.67 0.27 0.00 0.00 0.00 0.00 179.25 181.01 3mka h ALA 350 N 1.18 0.58 -0.48 0.00 0.00 -1.88 0.16 119.26 118.83 3mka h ALA 350 Ca 0.27 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3mka h ALA 350 Cb 0.21 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3mka h ALA 350 CO -0.02 0.08 0.09 0.28 0.00 0.00 0.00 179.25 179.68 3mka h VAL 351 N 0.61 1.24 -0.44 0.00 2.07 -1.87 -3.13 116.25 114.73 3mka h VAL 351 Ca 0.16 -0.89 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 3mka h VAL 351 Cb 0.01 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3mka h VAL 351 CO -0.03 0.32 0.03 0.00 0.02 0.00 0.00 177.57 177.90 3mka h ALA 352 N 0.97 0.59 -0.41 1.67 0.00 -0.65 -2.15 119.26 119.28 3mka h ALA 352 Ca 0.15 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3mka h ALA 352 Cb 0.37 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3mka h ALA 352 CO 0.01 0.36 0.15 -0.24 0.00 0.00 0.00 179.25 179.53 3mka h VAL 353 N 0.61 1.21 -0.51 0.00 3.04 -0.73 -2.66 116.25 117.21 3mka h VAL 353 Ca 0.13 -0.67 -0.04 0.00 -1.01 0.00 0.00 66.70 65.11 3mka h VAL 353 Cb 0.45 0.87 -0.02 0.00 -2.01 0.00 0.00 31.29 30.58 3mka h VAL 353 CO 0.02 0.24 0.15 -0.33 -1.01 0.00 0.00 177.57 176.64 3mka h GLU 354 N 0.53 0.81 -0.82 4.17 5.08 -1.58 -3.13 114.58 119.63 3mka h GLU 354 Ca 0.14 -0.18 0.08 0.00 -1.00 0.00 0.00 59.36 58.40 3mka h GLU 354 Cb 0.23 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.29 3mka h GLU 354 CO -0.01 0.76 0.48 0.35 -1.00 0.00 0.00 179.01 179.59 3mka h PHE 355 N 0.71 0.87 -0.58 4.33 3.57 -1.11 -0.10 116.94 124.63 3mka h PHE 355 Ca 0.16 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 3mka h PHE 355 Cb 0.29 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 3mka h PHE 355 CO 0.02 0.38 0.16 0.00 -2.23 0.00 0.00 178.31 176.64 3mka h ALA 356 N 1.44 1.18 0.11 2.41 0.00 -1.43 -1.67 119.26 121.30 3mka h ALA 356 Ca 0.38 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3mka h ALA 356 Cb 0.31 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3mka h ALA 356 CO -0.23 0.57 -0.05 -0.09 0.00 0.00 0.00 179.25 179.45 3mka h ARG 357 N 0.86 -0.15 -0.38 0.00 2.43 -1.05 -2.15 114.38 113.95 3mka h ARG 357 Ca 0.19 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.43 3mka h ARG 357 Cb 0.29 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.82 3mka h ARG 357 CO -0.00 0.25 0.07 1.25 -1.51 0.00 0.00 179.97 180.02 3mka h LEU 358 N -0.59 -0.01 -1.50 3.80 5.85 -1.15 -1.78 115.31 119.93 3mka h LEU 358 Ca -0.02 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 3mka h LEU 358 Cb 0.47 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3mka h LEU 358 CO 0.03 0.03 -0.12 0.22 -0.34 0.00 0.00 178.44 178.25 3mka h TYR 359 N 0.19 0.18 -0.18 1.25 3.20 -1.25 0.71 116.97 121.06 3mka h TYR 359 Ca 0.18 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.94 3mka h TYR 359 Cb 0.22 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.44 3mka h TYR 359 CO -0.20 0.30 -0.26 0.00 -1.64 0.00 0.00 178.16 176.35 3mka h ALA 360 N 1.71 0.27 -0.31 1.82 0.00 -0.70 -2.15 119.26 119.91 3mka h ALA 360 Ca 0.03 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 3mka h ALA 360 Cb 0.33 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3mka h ALA 360 CO 0.02 0.26 0.13 0.28 0.00 0.00 0.00 179.25 179.94 3mka h VAL 361 N 0.15 1.17 -0.72 0.00 2.07 -1.06 -1.69 116.25 116.18 3mka h VAL 361 Ca 0.02 -0.52 0.11 0.00 0.82 0.00 0.00 66.70 67.13 3mka h VAL 361 Cb 0.83 0.94 -0.08 0.00 -1.52 0.00 0.00 31.29 31.46 3mka h VAL 361 CO 0.06 0.18 0.32 -0.08 0.02 0.00 0.00 177.57 178.07 3mka h GLU 362 N 0.36 0.50 -0.33 1.57 4.57 -0.80 0.28 114.58 120.74 3mka h GLU 362 Ca 0.11 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.21 3mka h GLU 362 Cb 0.16 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 3mka h GLU 362 CO -0.01 0.33 0.05 -0.07 -1.18 0.00 0.00 179.01 178.13 3mka h LEU 363 N 0.52 0.52 -0.72 1.64 4.07 -1.01 -2.70 115.31 117.62 3mka h LEU 363 Ca 0.37 -0.27 -0.14 0.00 0.08 0.00 0.00 57.88 57.93 3mka h LEU 363 Cb 0.48 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.06 3mka h LEU 363 CO -0.33 0.66 -0.62 -0.08 -1.08 0.00 0.00 178.44 176.99 3mka h GLU 364 N 0.37 0.07 -0.38 1.13 4.81 -0.87 -2.82 114.58 116.89 3mka h GLU 364 Ca 0.10 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 3mka h GLU 364 Cb 0.36 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 3mka h GLU 364 CO 0.01 0.66 0.13 1.25 -0.73 0.00 0.00 179.01 180.33 3mka h HIS 365 N 0.05 0.60 -0.28 0.92 2.76 -0.90 -0.99 115.15 117.31 3mka h HIS 365 Ca -0.01 -0.06 -0.06 0.00 -2.20 0.00 0.00 60.37 58.05 3mka h HIS 365 Cb 1.11 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.88 3mka h HIS 365 CO 0.01 0.56 -0.08 -0.92 -1.30 0.00 0.00 177.93 176.20 3mka h TYR 366 N 0.46 0.47 -0.38 5.26 3.20 -1.37 -1.57 116.97 123.04 3mka h TYR 366 Ca 0.12 -0.06 -0.14 0.00 3.14 0.00 0.00 58.73 61.79 3mka h TYR 366 Cb 0.24 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 3mka h TYR 366 CO 0.01 0.53 -0.33 1.49 -1.64 0.00 0.00 178.16 178.21 3mka h GLU 367 N 0.42 0.86 -0.18 1.82 4.81 -1.17 -1.26 114.58 119.88 3mka h GLU 367 Ca 0.09 -0.41 -0.16 0.00 -0.13 0.00 0.00 59.36 58.74 3mka h GLU 367 Cb 0.40 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 3mka h GLU 367 CO 0.02 1.06 -0.55 0.87 -0.73 0.00 0.00 179.01 179.67 3mka h LYS 368 N 0.71 0.54 -0.06 1.92 1.57 -0.92 0.45 116.57 120.78 3mka h LYS 368 Ca 0.07 -0.34 -0.20 0.00 -1.87 0.00 0.00 60.65 58.31 3mka h LYS 368 Cb 0.89 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.24 3mka h LYS 368 CO 0.08 0.95 -0.80 -0.07 -0.57 0.00 0.00 179.45 179.04 3mka h LEU 369 N 0.41 0.56 -2.10 2.94 3.38 -1.17 -3.29 115.31 116.05 3mka h LEU 369 Ca 0.01 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3mka h LEU 369 Cb 1.09 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3mka h LEU 369 CO 0.10 1.16 0.00 -0.62 0.09 0.00 0.00 178.44 179.17 3mka n GLU 370 N -3.82 1.88 -1.02 1.13 -0.58 -0.49 -4.97 120.64 112.77 3mka n GLU 370 Ca -0.05 -1.81 -0.01 0.00 -0.42 0.00 0.00 57.16 54.87 3mka n GLU 370 Cb 0.75 -1.35 -0.00 0.00 -0.57 0.00 0.00 31.44 30.27 3mka n GLU 370 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3mka n GLY 371 N 0.97 0.10 3.28 0.62 0.00 0.16 -4.94 105.19 105.38 3mka n GLY 371 Ca 0.13 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 3mka n GLY 371 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mka s VAL 372 N -1.11 0.00 0.76 1.61 0.11 -1.15 -4.99 120.40 115.62 3mka s VAL 372 Ca 0.00 -0.03 -0.11 0.00 -2.93 0.00 0.00 61.98 58.91 3mka s VAL 372 Cb 0.00 -0.55 0.05 0.00 -1.53 0.00 0.00 36.38 34.34 3mka s VAL 372 CO 0.00 -0.01 1.09 -2.16 -3.33 0.00 0.00 175.10 170.69 3mka s PRO 373 N 0.11 2.33 0.62 1.54 0.04 -1.26 -4.22 135.00 134.16 3mka s PRO 373 Ca -0.01 1.21 -0.17 0.00 0.04 0.00 0.00 61.00 62.07 3mka s PRO 373 Cb -0.03 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.59 3mka s PRO 373 CO 0.01 -1.59 1.12 -1.17 0.04 0.00 0.00 177.00 175.41 3mka s LEU 374 N -5.76 3.52 0.79 -3.56 2.96 -1.26 -5.01 118.68 110.35 3mka s LEU 374 Ca 0.62 2.08 -0.11 0.00 -0.22 0.00 0.00 54.13 56.50 3mka s LEU 374 Cb -0.18 -4.56 0.07 0.00 0.50 0.00 0.00 46.19 42.02 3mka s LEU 374 CO 0.54 -1.51 1.09 0.42 -1.32 0.00 0.00 176.35 175.57 3mka s THR 375 N -2.12 3.27 0.11 3.68 -4.23 -1.26 -4.76 115.64 110.33 3mka s THR 375 Ca 0.69 0.41 -0.25 0.00 -1.18 0.00 0.00 61.69 61.36 3mka s THR 375 Cb -0.22 -3.00 -0.08 0.00 1.34 0.00 0.00 72.50 70.54 3mka s THR 375 CO 0.36 -0.54 1.66 0.15 -0.54 0.00 0.00 174.62 175.71 3mka h PHE 376 N -1.14 -0.53 -0.88 3.99 3.57 -1.99 0.70 116.94 120.66 3mka h PHE 376 Ca -0.46 0.01 0.23 0.00 3.53 0.00 0.00 57.97 61.28 3mka h PHE 376 Cb 1.25 0.23 -0.05 0.00 2.79 0.00 0.00 35.95 40.16 3mka h PHE 376 CO 0.53 -0.29 0.61 0.00 -2.23 0.00 0.00 178.31 176.93 3mka h ALA 377 N 0.48 2.50 -0.01 2.41 0.00 -2.00 0.18 119.26 122.81 3mka h ALA 377 Ca 0.04 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 3mka h ALA 377 Cb 0.40 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3mka h ALA 377 CO -0.14 -0.77 -0.86 0.78 0.00 0.00 0.00 179.25 178.26 3mka h GLY 378 N 0.21 0.34 1.19 0.00 0.00 -1.29 -2.64 103.07 100.88 3mka h GLY 378 Ca 0.44 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 47.16 3mka h GLY 378 CO -0.10 0.50 0.25 0.50 0.00 0.00 0.00 176.54 177.69 3mka h LYS 379 N 0.18 1.03 -0.48 4.80 1.57 0.11 -2.09 116.57 121.69 3mka h LYS 379 Ca -0.05 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.50 3mka h LYS 379 Cb 1.48 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.60 3mka h LYS 379 CO 0.14 0.85 0.14 0.82 -0.57 0.00 0.00 179.45 180.83 3mka h ILE 380 N 1.00 1.23 -0.75 1.86 2.04 -1.33 -2.62 117.51 118.94 3mka h ILE 380 Ca 0.23 -0.78 -0.06 0.00 1.00 0.00 0.00 64.86 65.25 3mka h ILE 380 Cb 0.23 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 3mka h ILE 380 CO -0.02 0.28 0.25 -1.13 0.00 0.00 0.00 178.15 177.53 3mka h ASN 381 N 0.64 1.09 -0.56 1.72 -0.73 -1.26 -1.38 115.58 115.10 3mka h ASN 381 Ca 0.15 -0.20 -0.04 0.00 1.87 0.00 0.00 56.30 58.08 3mka h ASN 381 Cb 0.29 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 38.57 3mka h ASN 381 CO -0.00 1.00 0.18 -0.09 -0.37 0.00 0.00 177.43 178.15 3mka h ARG 382 N 1.11 0.87 -0.73 6.67 9.65 -1.29 -2.22 114.38 128.44 3mka h ARG 382 Ca 0.24 -0.18 -0.07 0.00 -1.10 0.00 0.00 59.98 58.87 3mka h ARG 382 Cb 0.29 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.71 3mka h ARG 382 CO -0.01 0.79 0.20 1.25 2.80 0.00 0.00 179.97 185.00 3mka h LEU 383 N 0.79 1.09 -0.88 3.80 5.85 -1.23 -2.46 115.31 122.27 3mka h LEU 383 Ca 0.18 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 3mka h LEU 383 Cb 0.27 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 3mka h LEU 383 CO -0.01 1.03 0.49 0.00 -0.34 0.00 0.00 178.44 179.61 3mka h ALA 384 N 1.10 1.13 -0.76 1.25 0.00 -1.02 -1.56 119.26 119.40 3mka h ALA 384 Ca 0.23 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3mka h ALA 384 Cb 0.35 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3mka h ALA 384 CO -0.00 0.63 0.30 0.82 0.00 0.00 0.00 179.25 181.00 3mka h ILE 385 N 1.23 1.26 -0.58 0.00 2.04 -1.10 0.87 117.51 121.23 3mka h ILE 385 Ca 0.31 -0.81 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 3mka h ILE 385 Cb 0.02 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 3mka h ILE 385 CO -0.05 0.33 0.24 0.24 0.00 0.00 0.00 178.15 178.91 3mka h MET 386 N 1.10 0.87 -0.51 2.37 2.86 -0.95 -1.87 114.93 118.80 3mka h MET 386 Ca 0.25 -0.15 -0.06 0.00 -2.06 0.00 0.00 59.70 57.68 3mka h MET 386 Cb 0.22 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 3mka h MET 386 CO -0.02 0.74 0.08 0.28 1.06 0.00 0.00 176.91 179.05 3mka h VAL 387 N 0.80 1.25 -0.71 -2.22 2.07 -0.85 -2.98 116.25 113.61 3mka h VAL 387 Ca 0.19 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 3mka h VAL 387 Cb 0.19 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 3mka h VAL 387 CO -0.02 0.34 0.28 -0.09 0.02 0.00 0.00 177.57 178.10 3mka h ARG 388 N 0.73 1.05 -0.08 1.57 2.43 -0.65 -2.24 114.38 117.18 3mka h ARG 388 Ca 0.15 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 3mka h ARG 388 Cb 0.41 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3mka h ARG 388 CO 0.01 0.85 -0.08 0.78 -1.51 0.00 0.00 179.97 180.02 3mka h GLY 389 N 1.09 0.12 -0.24 2.80 0.00 -1.25 -2.55 103.07 103.03 3mka h GLY 389 Ca 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.51 3mka h GLY 389 CO -0.02 0.06 0.00 -2.01 0.00 0.00 0.00 176.54 174.57 3mka n ASN 390 N -4.38 1.01 -0.31 0.19 5.15 -0.85 -4.37 115.26 111.71 3mka n ASN 390 Ca -0.02 -1.57 -0.04 0.00 -0.60 0.00 0.00 54.58 52.36 3mka n ASN 390 Cb 0.20 -0.06 0.08 0.00 -0.53 0.00 0.00 39.78 39.47 3mka n ASN 390 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 3mka h LEU 391 N 1.37 0.96 -0.37 1.20 5.85 -1.40 0.24 115.31 123.15 3mka h LEU 391 Ca 0.00 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.71 3mka h LEU 391 Cb 0.30 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3mka h LEU 391 CO 0.00 0.69 0.22 0.00 -0.34 0.00 0.00 178.44 179.01 3mka h ALA 392 N 1.30 0.47 0.00 1.25 0.00 -1.83 -1.65 119.26 118.81 3mka h ALA 392 Ca 0.30 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3mka h ALA 392 Cb -0.13 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3mka h ALA 392 CO -0.07 -0.13 -0.10 0.00 0.00 0.00 0.00 179.25 178.96 3mka h ALA 393 N 1.17 1.01 0.00 0.00 0.00 -1.78 -2.89 119.26 116.76 3mka h ALA 393 Ca 0.15 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 3mka h ALA 393 Cb 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3mka h ALA 393 CO -0.07 0.12 -0.62 0.00 0.00 0.00 0.00 179.25 178.69 3mka h ALA 394 N 1.90 0.78 0.00 0.00 0.00 -0.05 -0.93 119.26 120.96 3mka h ALA 394 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3mka h ALA 394 Cb 0.65 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3mka h ALA 394 CO 0.01 0.77 0.00 0.52 0.00 0.00 0.00 179.25 180.55 3mka h MET 395 N 0.00 0.00 -0.51 0.00 2.86 -1.16 -2.90 114.93 113.22 3mka h MET 395 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3mka h MET 395 Cb 1.25 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.91 3mka h MET 395 CO 0.08 0.00 0.00 1.04 1.06 0.00 0.00 176.91 179.09 3mka n GLN 396 N -3.01 3.14 0.00 1.72 6.02 -1.13 -4.99 117.38 119.13 3mka n GLN 396 Ca 0.02 -2.56 0.00 0.00 -0.01 0.00 0.00 57.00 54.45 3mka n GLN 396 Cb 0.35 -1.61 0.00 0.00 1.02 0.00 0.00 30.24 30.00 3mka n GLN 396 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3mka n GLY 397 N 0.80 2.70 2.34 1.08 0.00 -1.10 -4.97 105.19 106.05 3mka n GLY 397 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 3mka n GLY 397 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mka n LEU 398 N 0.00 7.39 -4.74 0.99 4.77 -0.37 -4.75 117.00 120.30 3mka n LEU 398 Ca 0.00 -4.24 -0.40 0.00 -0.03 0.00 0.00 56.01 51.34 3mka n LEU 398 Cb 0.00 -1.40 -0.05 0.00 -2.33 0.00 0.00 43.42 39.64 3mka n LEU 398 CO 0.00 1.93 0.53 -0.22 -1.33 0.00 0.00 177.39 178.30 3mka s LEU 399 N -1.07 4.45 -0.21 2.23 2.96 -1.26 -3.98 118.68 121.79 3mka s LEU 399 Ca 0.62 1.54 -0.02 0.00 -0.22 0.00 0.00 54.13 56.05 3mka s LEU 399 Cb 0.25 -3.34 0.07 0.00 0.50 0.00 0.00 46.19 43.67 3mka s LEU 399 CO -0.09 -0.03 0.04 0.00 -1.32 0.00 0.00 176.35 174.95 3mka s ALA 400 N 0.07 1.11 -0.41 5.97 0.00 -1.26 -2.24 121.76 125.00 3mka s ALA 400 Ca 0.41 -0.86 -0.09 0.00 0.00 0.00 0.00 51.96 51.43 3mka s ALA 400 Cb -0.21 -1.25 0.08 0.00 0.00 0.00 0.00 23.12 21.73 3mka s ALA 400 CO 0.25 -1.25 0.25 -1.17 0.00 0.00 0.00 175.76 173.84 3mka s LEU 401 N 1.81 5.12 0.48 0.00 2.96 0.70 -4.94 118.68 124.81 3mka s LEU 401 Ca 0.00 -1.52 -0.08 0.00 -0.22 0.00 0.00 54.13 52.32 3mka s LEU 401 Cb -0.17 -1.97 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 3mka s LEU 401 CO -0.11 -0.53 0.83 -2.16 -1.32 0.00 0.00 176.35 173.06 3mka s PRO 402 N 1.41 3.63 -0.06 0.98 0.04 -1.26 -1.90 135.00 137.83 3mka s PRO 402 Ca 0.03 0.38 0.03 0.00 0.04 0.00 0.00 61.00 61.48 3mka s PRO 402 Cb -0.23 -2.33 0.01 0.00 0.04 0.00 0.00 34.50 31.99 3mka s PRO 402 CO 0.02 -0.22 -0.16 -1.17 0.04 0.00 0.00 177.00 175.51 3mka s LEU 403 N -4.56 1.80 -0.09 -3.56 2.96 0.10 -3.35 118.68 111.99 3mka s LEU 403 Ca 0.50 -0.35 0.03 0.00 -0.22 0.00 0.00 54.13 54.09 3mka s LEU 403 Cb -0.10 -0.96 -0.01 0.00 0.50 0.00 0.00 46.19 45.62 3mka s LEU 403 CO 0.42 0.09 -0.19 -0.22 -1.32 0.00 0.00 176.35 175.14 3mka s LEU 404 N 0.41 2.43 -0.06 -0.68 2.96 0.56 -1.17 118.68 123.13 3mka s LEU 404 Ca -0.12 -0.39 0.04 0.00 -0.22 0.00 0.00 54.13 53.44 3mka s LEU 404 Cb -0.15 -1.50 0.00 0.00 0.50 0.00 0.00 46.19 45.05 3mka s LEU 404 CO 0.04 0.23 -0.17 0.00 -1.32 0.00 0.00 176.35 175.12 3mka s ALA 405 N -0.03 1.61 0.10 5.97 0.00 -0.54 -0.26 121.76 128.61 3mka s ALA 405 Ca -0.05 -0.67 -0.12 0.00 0.00 0.00 0.00 51.96 51.11 3mka s ALA 405 Cb -0.14 -0.60 0.02 0.00 0.00 0.00 0.00 23.12 22.39 3mka s ALA 405 CO 0.05 0.23 0.29 0.20 0.00 0.00 0.00 175.76 176.53 3mka s GLY 406 N 0.31 -0.09 -0.16 0.00 0.00 -0.14 -0.42 107.32 106.82 3mka s GLY 406 Ca -0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 44.72 44.31 3mka s GLY 406 CO 0.04 -0.51 -0.12 -0.47 0.00 0.00 0.00 173.10 172.04 3mka s TYR 407 N -3.62 2.84 -0.34 1.90 5.04 -0.33 0.22 117.35 123.06 3mka s TYR 407 Ca 0.03 -0.85 -0.10 0.00 -2.44 0.00 0.00 57.07 53.71 3mka s TYR 407 Cb 0.03 -1.92 0.01 0.00 0.35 0.00 0.00 41.96 40.43 3mka s TYR 407 CO -0.10 -0.37 0.17 0.34 -1.34 0.00 0.00 175.55 174.24 3mka s ASP 408 N 0.75 5.58 0.21 4.32 2.15 -0.72 -4.85 116.67 124.11 3mka s ASP 408 Ca -0.05 -0.75 -0.07 0.00 0.43 0.00 0.00 52.55 52.11 3mka s ASP 408 Cb -0.15 -2.00 0.15 0.00 -0.30 0.00 0.00 42.92 40.62 3mka s ASP 408 CO 0.01 -0.27 1.74 0.16 -0.17 0.00 0.00 175.17 176.64 3mka h ILE 409 N 5.78 1.26 0.00 4.11 3.07 -1.98 -2.82 117.51 126.93 3mka h ILE 409 Ca -0.29 -0.94 -0.02 0.00 1.55 0.00 0.00 64.86 65.15 3mka h ILE 409 Cb 1.13 0.51 -0.00 0.00 -0.27 0.00 0.00 36.82 38.18 3mka h ILE 409 CO 0.63 0.37 -0.10 0.45 -1.05 0.00 0.00 178.15 178.45 3mka h HIS 410 N 1.07 0.00 -4.01 0.16 3.86 -1.99 -3.44 115.15 110.81 3mka h HIS 410 Ca 0.23 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.90 3mka h HIS 410 Cb 0.34 0.00 0.11 0.00 1.06 0.00 0.00 27.41 28.93 3mka h HIS 410 CO 0.03 0.10 0.61 0.00 0.86 0.00 0.00 177.93 179.53 3mka s ALA 411 N -4.18 3.00 0.20 2.45 0.00 -1.07 -4.94 121.76 117.22 3mka s ALA 411 Ca -0.03 1.28 -0.10 0.00 0.00 0.00 0.00 51.96 53.12 3mka s ALA 411 Cb 0.13 -3.53 0.14 0.00 0.00 0.00 0.00 23.12 19.86 3mka s ALA 411 CO 0.57 -1.13 1.79 0.66 0.00 0.00 0.00 175.76 177.66 3mka h SER 412 N 1.93 0.96 -3.41 0.00 4.64 -1.88 -3.43 113.55 112.37 3mka h SER 412 Ca -0.50 -0.13 -0.64 0.00 -0.47 0.00 0.00 61.79 60.05 3mka h SER 412 Cb 1.28 -0.25 -0.21 0.00 -0.31 0.00 0.00 62.40 62.91 3mka h SER 412 CO 0.59 0.82 -0.63 -1.81 -0.87 0.00 0.00 176.83 174.93 3mka s ASP 413 N -6.15 5.10 0.23 4.97 1.11 -1.26 -4.99 116.67 115.68 3mka s ASP 413 Ca -0.13 -0.11 -0.07 0.00 0.18 0.00 0.00 52.55 52.43 3mka s ASP 413 Cb 0.15 -1.87 0.20 0.00 1.07 0.00 0.00 42.92 42.47 3mka s ASP 413 CO 0.81 0.10 1.80 -0.65 1.18 0.00 0.00 175.17 178.41 3mka h PRO 414 N 7.23 1.16 -0.77 8.23 0.11 -1.94 0.15 132.00 146.16 3mka h PRO 414 Ca -0.35 -0.20 -0.03 0.00 0.11 0.00 0.00 66.00 65.52 3mka h PRO 414 Cb 1.18 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 32.06 3mka h PRO 414 CO 0.63 0.93 0.36 1.96 -0.21 0.00 0.00 178.00 181.67 3mka h GLN 415 N 1.13 1.11 -0.40 1.05 1.08 -1.91 -2.31 115.11 114.87 3mka h GLN 415 Ca 0.26 -0.17 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 3mka h GLN 415 Cb 0.20 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3mka h GLN 415 CO -0.02 0.87 0.00 -1.13 -0.95 0.00 0.00 178.83 177.59 3mka n SER 416 N -4.31 2.65 -0.17 1.46 3.41 -0.94 -0.71 113.62 115.02 3mka n SER 416 Ca 0.07 -1.93 -0.01 0.00 -0.26 0.00 0.00 58.87 56.75 3mka n SER 416 Cb 0.15 -0.26 0.23 0.00 -0.26 0.00 0.00 64.21 64.06 3mka n SER 416 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mka h ALA 417 N 4.10 1.36 -2.97 7.33 0.00 -0.12 -3.45 119.26 125.52 3mka h ALA 417 Ca 0.00 -0.12 -0.54 0.00 0.00 0.00 0.00 54.91 54.25 3mka h ALA 417 Cb 0.71 -0.26 0.12 0.00 0.00 0.00 0.00 17.79 18.36 3mka h ALA 417 CO 0.00 0.51 0.64 0.20 0.00 0.00 0.00 179.25 180.59 3mka s GLY 418 N -3.50 2.90 0.01 0.00 0.00 -1.26 -1.76 107.32 103.71 3mka s GLY 418 Ca -0.10 1.34 0.03 0.00 0.00 0.00 0.00 44.72 45.99 3mka s GLY 418 CO 0.79 1.90 -0.09 0.50 0.00 0.00 0.00 173.10 176.20 3mka s ARG 419 N -2.63 0.66 -0.06 2.90 1.81 0.59 -4.91 118.95 117.31 3mka s ARG 419 Ca 0.65 -0.45 0.02 0.00 -1.72 0.00 0.00 55.73 54.23 3mka s ARG 419 Cb -0.41 -0.60 0.02 0.00 -0.45 0.00 0.00 34.95 33.51 3mka s ARG 419 CO 0.50 0.15 -0.09 0.42 -0.68 0.00 0.00 175.30 175.61 3mka s ILE 420 N -0.52 0.89 -0.04 1.52 1.01 -1.26 -0.97 121.20 121.83 3mka s ILE 420 Ca 0.00 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.35 3mka s ILE 420 Cb -0.05 -0.86 0.02 0.00 0.01 0.00 0.00 42.46 41.58 3mka s ILE 420 CO 0.00 0.31 -0.08 -0.69 0.00 0.00 0.00 174.94 174.48 3mka s VAL 421 N 0.85 0.74 0.20 2.92 1.01 0.65 -1.76 120.40 125.01 3mka s VAL 421 Ca -0.12 -0.27 0.09 0.00 0.00 0.00 0.00 61.98 61.69 3mka s VAL 421 Cb -0.15 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 3mka s VAL 421 CO 0.01 0.26 -0.09 -0.94 0.00 0.00 0.00 175.10 174.35 3mka s SER 422 N 0.67 4.25 -0.03 3.32 1.04 -0.54 -0.32 113.70 122.09 3mka s SER 422 Ca -0.11 -0.61 0.05 0.00 0.48 0.00 0.00 55.95 55.76 3mka s SER 422 Cb -0.14 -0.71 -0.01 0.00 0.10 0.00 0.00 66.02 65.27 3mka s SER 422 CO 0.01 0.09 -0.17 -0.36 0.98 0.00 0.00 173.24 173.79 3mka s PHE 423 N -1.83 1.60 0.70 5.02 0.08 -1.21 -1.45 117.98 120.89 3mka s PHE 423 Ca 0.26 -0.40 -0.04 0.00 0.12 0.00 0.00 56.93 56.86 3mka s PHE 423 Cb -0.08 -1.07 0.09 0.00 -0.57 0.00 0.00 43.02 41.39 3mka s PHE 423 CO 0.16 -0.11 0.99 0.16 -0.10 0.00 0.00 175.22 176.31 3mka s ASP 424 N -0.10 4.61 0.47 1.36 1.47 -0.34 -4.70 116.67 119.44 3mka s ASP 424 Ca -0.00 0.11 0.32 0.00 1.18 0.00 0.00 52.55 54.15 3mka s ASP 424 Cb -0.10 -0.67 1.57 0.00 -0.34 0.00 0.00 42.92 43.38 3mka s ASP 424 CO 0.01 -1.69 1.96 0.00 0.68 0.00 0.00 175.17 176.13 3mka h ALA 425 N -0.54 1.00 -0.23 2.11 0.00 -1.94 -1.93 119.26 117.73 3mka h ALA 425 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3mka h ALA 425 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3mka h ALA 425 CO 0.51 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.76 3mka n ALA 426 N -1.94 2.48 -0.04 0.00 0.00 -1.26 -4.44 120.51 115.31 3mka n ALA 426 Ca -0.01 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.73 3mka n ALA 426 Cb 0.14 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.60 3mka n ALA 426 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mka n GLY 427 N 1.29 0.59 3.71 0.00 0.00 -0.72 -4.51 105.19 105.54 3mka n GLY 427 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 3mka n GLY 427 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mka n GLY 428 N -2.00 0.73 3.37 -0.02 0.00 -1.26 -4.75 105.19 101.26 3mka n GLY 428 Ca 0.00 0.35 -0.24 0.00 0.00 0.00 0.00 46.02 46.13 3mka n GLY 428 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3mka s TRP 429 N -0.87 2.02 -0.06 1.61 1.48 -1.26 -1.19 118.94 120.66 3mka s TRP 429 Ca 0.58 -0.42 -0.05 0.00 -1.06 0.00 0.00 56.10 55.15 3mka s TRP 429 Cb -0.57 -1.00 0.02 0.00 -1.16 0.00 0.00 33.47 30.77 3mka s TRP 429 CO 0.60 0.41 0.16 1.21 -4.06 0.00 0.00 176.95 175.26 3mka s ASN 430 N -2.68 -0.15 -0.19 -2.66 2.47 -0.53 -4.98 114.94 106.22 3mka s ASN 430 Ca 0.18 0.32 -0.09 0.00 0.42 0.00 0.00 52.86 53.69 3mka s ASN 430 Cb -0.07 0.29 -0.05 0.00 -1.45 0.00 0.00 41.25 39.97 3mka s ASN 430 CO 0.08 -0.08 0.11 -0.63 -3.72 0.00 0.00 177.10 172.86 3mka s ILE 431 N 0.40 5.23 -0.27 -5.21 1.01 -1.26 -1.47 121.20 119.63 3mka s ILE 431 Ca -0.03 0.12 -0.29 0.00 0.00 0.00 0.00 60.65 60.46 3mka s ILE 431 Cb -0.04 -3.37 -0.01 0.00 0.01 0.00 0.00 42.46 39.05 3mka s ILE 431 CO -0.02 0.46 1.36 -1.61 0.00 0.00 0.00 174.94 175.13 3mka s GLU 432 N 0.24 3.93 0.00 2.79 0.41 -0.72 -4.87 118.70 120.48 3mka s GLU 432 Ca 0.07 1.37 0.25 0.00 -0.41 0.00 0.00 54.97 56.26 3mka s GLU 432 Cb -0.11 -3.89 0.43 0.00 -1.78 0.00 0.00 34.13 28.78 3mka s GLU 432 CO -0.01 -1.10 1.40 0.39 -0.49 0.00 0.00 175.26 175.45 3mka n GLU 433 N 7.29 2.15 0.02 1.61 -0.58 -1.26 -4.20 120.64 125.67 3mka n GLU 433 Ca 0.15 -1.67 -0.15 0.00 -0.42 0.00 0.00 57.16 55.08 3mka n GLU 433 Cb 0.46 -1.47 -0.04 0.00 -0.57 0.00 0.00 31.44 29.83 3mka n GLU 433 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3mka h GLU 434 N 4.04 0.63 0.00 3.49 4.39 -1.99 -3.48 114.58 121.66 3mka h GLU 434 Ca 0.00 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 59.16 3mka h GLU 434 Cb 0.86 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 3mka h GLU 434 CO 0.00 1.16 0.00 0.41 -1.16 0.00 0.00 179.01 179.42 3mka n GLY 435 N 0.71 2.33 3.50 -3.84 0.00 -1.26 -5.06 105.19 101.57 3mka n GLY 435 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 3mka n GLY 435 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3mka s TYR 436 N -2.30 -0.27 0.16 1.61 -0.85 -1.26 -0.48 117.35 113.96 3mka s TYR 436 Ca 0.00 -0.04 -0.24 0.00 -0.52 0.00 0.00 57.07 56.27 3mka s TYR 436 Cb 0.00 0.46 0.06 0.00 0.38 0.00 0.00 41.96 42.87 3mka s TYR 436 CO 0.00 -0.91 0.76 -1.14 -1.52 0.00 0.00 175.55 172.75 3mka s GLN 437 N -3.83 1.31 0.10 -3.49 2.00 -0.12 -4.99 119.66 110.63 3mka s GLN 437 Ca 0.06 -0.62 -0.16 0.00 -2.00 0.00 0.00 55.36 52.65 3mka s GLN 437 Cb -0.01 0.52 0.03 0.00 0.80 0.00 0.00 33.01 34.35 3mka s GLN 437 CO -0.06 -0.59 0.38 0.00 -0.50 0.00 0.00 175.29 174.52 3mka s ALA 438 N -3.58 -0.88 0.05 1.58 0.00 -1.26 -1.39 121.76 116.28 3mka s ALA 438 Ca 0.07 -0.01 -0.07 0.00 0.00 0.00 0.00 51.96 51.94 3mka s ALA 438 Cb -0.02 0.57 -0.01 0.00 0.00 0.00 0.00 23.12 23.66 3mka s ALA 438 CO -0.04 -0.58 0.14 0.14 0.00 0.00 0.00 175.76 175.43 3mka s VAL 439 N -3.43 0.13 0.00 0.00 -7.23 -0.34 -4.92 120.40 104.62 3mka s VAL 439 Ca 0.01 -1.09 0.00 0.00 -1.81 0.00 0.00 61.98 59.09 3mka s VAL 439 Cb 0.01 -1.04 0.00 0.00 0.56 0.00 0.00 36.38 35.91 3mka s VAL 439 CO -0.09 -0.60 0.00 0.61 -0.31 0.00 0.00 175.10 174.71 3mka n GLY 440 N 0.51 1.41 0.28 2.32 0.00 -1.25 -0.82 105.19 107.63 3mka n GLY 440 Ca -0.18 -2.22 0.13 0.00 0.00 0.00 0.00 46.02 43.76 3mka n GLY 440 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3mka h SER 441 N 0.00 0.00 -0.43 1.61 4.64 -1.66 -1.86 113.55 115.85 3mka h SER 441 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mka h SER 441 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3mka h SER 441 CO 0.00 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 3mka n GLY 442 N -1.14 3.17 0.31 -0.77 0.00 -1.26 -4.68 105.19 100.81 3mka n GLY 442 Ca -0.03 -0.76 0.14 0.00 0.00 0.00 0.00 46.02 45.38 3mka n GLY 442 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3mka h SER 443 N 2.69 0.00 -0.24 1.61 4.64 -1.57 -1.44 113.55 119.24 3mka h SER 443 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 3mka h SER 443 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3mka h SER 443 CO 0.16 0.00 -0.58 -0.07 -0.87 0.00 0.00 176.83 175.47 3mka h LEU 444 N 0.00 0.92 -0.22 5.97 4.07 -1.83 -0.84 115.31 123.37 3mka h LEU 444 Ca 0.07 -0.56 -0.02 0.00 0.08 0.00 0.00 57.88 57.45 3mka h LEU 444 Cb 0.34 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.81 3mka h LEU 444 CO -0.00 1.32 0.04 -0.26 -1.08 0.00 0.00 178.44 178.46 3mka h PHE 445 N 0.57 0.38 -0.52 1.13 0.04 -1.75 -1.85 116.94 114.95 3mka h PHE 445 Ca -0.00 -0.05 0.01 0.00 2.80 0.00 0.00 57.97 60.72 3mka h PHE 445 Cb 1.19 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 39.21 3mka h PHE 445 CO 0.08 0.48 0.34 0.00 -0.60 0.00 0.00 178.31 178.62 3mka h ALA 446 N 0.85 0.66 -0.49 2.45 0.00 -1.24 -1.17 119.26 120.32 3mka h ALA 446 Ca 0.07 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3mka h ALA 446 Cb 0.30 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3mka h ALA 446 CO 0.00 0.09 0.07 0.87 0.00 0.00 0.00 179.25 180.29 3mka h LYS 447 N 0.70 0.77 -0.20 0.00 1.57 -1.05 -1.06 116.57 117.30 3mka h LYS 447 Ca 0.19 -0.17 -0.15 0.00 -1.87 0.00 0.00 60.65 58.65 3mka h LYS 447 Cb -0.08 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 3mka h LYS 447 CO -0.04 0.73 -0.51 0.77 -0.57 0.00 0.00 179.45 179.82 3mka h SER 448 N 0.73 0.61 0.27 0.86 0.02 -0.96 -0.86 113.55 114.23 3mka h SER 448 Ca 0.16 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 3mka h SER 448 Cb 0.35 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.72 3mka h SER 448 CO 0.01 1.01 -0.13 -1.28 -1.14 0.00 0.00 176.83 175.30 3mka h SER 449 N 0.43 -0.31 -0.20 3.07 0.87 -0.92 -2.89 113.55 113.60 3mka h SER 449 Ca 0.02 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.48 3mka h SER 449 Cb 1.04 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 3mka h SER 449 CO 0.10 -0.09 0.14 0.24 -0.53 0.00 0.00 176.83 176.68 3mka h MET 450 N -0.52 0.27 -0.13 2.24 2.07 -1.07 -0.39 114.93 117.40 3mka h MET 450 Ca -0.04 -0.02 0.04 0.00 -2.07 0.00 0.00 59.70 57.62 3mka h MET 450 Cb 0.38 -0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 30.05 3mka h MET 450 CO 0.06 0.18 0.11 -0.22 1.07 0.00 0.00 176.91 178.11 3mka h LYS 451 N 0.28 0.00 0.08 1.72 3.64 -0.94 0.80 116.57 122.15 3mka h LYS 451 Ca 0.07 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.11 3mka h LYS 451 Cb -0.03 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 3mka h LYS 451 CO -0.02 0.00 -1.92 1.63 -2.27 0.00 0.00 179.45 176.87 3mka n LYS 452 N -4.20 0.70 0.00 1.90 4.76 -0.23 -4.35 118.16 116.75 3mka n LYS 452 Ca 0.00 0.32 0.14 0.00 -2.87 0.00 0.00 58.31 55.89 3mka n LYS 452 Cb 0.23 -1.69 0.61 0.00 -1.84 0.00 0.00 35.03 32.34 3mka n LYS 452 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3mka n LEU 453 N -3.69 0.00 -0.30 -0.35 4.77 -0.75 -4.38 117.00 112.30 3mka n LEU 453 Ca -0.34 0.48 -0.04 0.00 -0.03 0.00 0.00 56.01 56.08 3mka n LEU 453 Cb 0.96 -0.48 0.07 0.00 -2.33 0.00 0.00 43.42 41.64 3mka n LEU 453 CO 0.34 -0.02 1.21 0.22 -1.33 0.00 0.00 177.39 177.82 3mka h TYR 454 N 0.00 1.03 -0.15 -1.77 3.20 -1.04 -2.32 116.97 115.91 3mka h TYR 454 Ca 0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.94 3mka h TYR 454 Cb 0.46 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 3mka h TYR 454 CO 0.00 0.66 0.28 0.66 -1.64 0.00 0.00 178.16 178.11 3mka h SER 455 N 1.11 0.00 0.47 -2.11 4.64 -1.85 0.22 113.55 116.02 3mka h SER 455 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3mka h SER 455 Cb -0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3mka h SER 455 CO -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.90 3mka n GLN 456 N -3.40 0.42 -2.93 4.77 6.02 -0.87 -4.77 117.38 116.61 3mka n GLN 456 Ca 0.01 0.03 -0.41 0.00 -0.01 0.00 0.00 57.00 56.63 3mka n GLN 456 Cb 0.38 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.10 3mka n GLN 456 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3mka s VAL 457 N -2.53 4.98 0.00 5.09 1.01 0.77 -4.78 120.40 124.94 3mka s VAL 457 Ca 0.27 1.64 0.00 0.00 0.00 0.00 0.00 61.98 63.89 3mka s VAL 457 Cb 0.18 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.43 3mka s VAL 457 CO 0.40 0.20 0.01 0.35 0.00 0.00 0.00 175.10 176.06 3mka n THR 458 N 3.90 0.00 -3.78 3.92 -2.24 -1.26 -4.96 114.28 109.87 3mka n THR 458 Ca 0.01 -0.07 -0.04 0.00 -2.27 0.00 0.00 64.05 61.69 3mka n THR 458 Cb 0.51 1.07 -0.01 0.00 -2.10 0.00 0.00 70.33 69.80 3mka n THR 458 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3mka s ASP 459 N -0.13 -0.18 0.51 3.42 1.47 -1.26 -4.68 116.67 115.83 3mka s ASP 459 Ca 0.00 -0.46 0.24 0.00 1.18 0.00 0.00 52.55 53.50 3mka s ASP 459 Cb 0.00 0.53 1.33 0.00 -0.34 0.00 0.00 42.92 44.45 3mka s ASP 459 CO 0.00 -0.99 1.97 1.23 0.68 0.00 0.00 175.17 178.06 3mka h GLY 460 N 2.00 0.15 1.30 2.12 0.00 -1.94 -0.09 103.07 106.61 3mka h GLY 460 Ca -0.23 -0.04 -0.25 0.00 0.00 0.00 0.00 47.33 46.81 3mka h GLY 460 CO 0.26 0.01 -0.99 -0.55 0.00 0.00 0.00 176.54 175.27 3mka h ASP 461 N 0.09 0.81 -0.14 0.19 3.32 -1.98 0.98 116.42 119.69 3mka h ASP 461 Ca 0.29 -0.63 -0.19 0.00 0.02 0.00 0.00 57.03 56.51 3mka h ASP 461 Cb 1.03 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 40.34 3mka h ASP 461 CO -0.03 1.43 -0.67 0.77 -1.72 0.00 0.00 179.24 179.03 3mka h SER 462 N 0.37 0.84 -0.88 6.45 4.64 -1.77 -1.98 113.55 121.21 3mka h SER 462 Ca -0.11 -0.63 0.06 0.00 -0.47 0.00 0.00 61.79 60.65 3mka h SER 462 Cb 1.63 -0.25 -0.06 0.00 -0.31 0.00 0.00 62.40 63.42 3mka h SER 462 CO 0.19 1.33 0.57 1.23 -0.87 0.00 0.00 176.83 179.28 3mka h GLY 463 N 0.40 1.27 1.54 -0.77 0.00 -1.00 0.22 103.07 104.72 3mka h GLY 463 Ca -0.04 -0.40 -0.13 0.00 0.00 0.00 0.00 47.33 46.75 3mka h GLY 463 CO 0.14 0.29 -0.43 -2.00 0.00 0.00 0.00 176.54 174.55 3mka h LEU 464 N 1.00 0.54 0.72 3.11 5.85 -0.69 -1.90 115.31 123.93 3mka h LEU 464 Ca 0.38 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 3mka h LEU 464 Cb 0.20 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.08 3mka h LEU 464 CO -0.14 0.90 -0.35 -0.09 -0.34 0.00 0.00 178.44 178.43 3mka h ARG 465 N 0.41 -0.93 -1.02 1.25 2.43 0.08 -1.58 114.38 115.02 3mka h ARG 465 Ca 0.03 0.06 0.25 0.00 -0.81 0.00 0.00 59.98 59.52 3mka h ARG 465 Cb 0.92 0.21 -0.11 0.00 -0.42 0.00 0.00 29.97 30.57 3mka h ARG 465 CO 0.08 -0.59 0.63 0.28 -1.51 0.00 0.00 179.97 178.86 3mka h VAL 466 N -1.13 0.54 -0.36 0.20 2.07 -0.77 0.06 116.25 116.86 3mka h VAL 466 Ca -0.10 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 3mka h VAL 466 Cb 0.77 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3mka h VAL 466 CO 0.16 0.09 -0.04 0.00 0.02 0.00 0.00 177.57 177.80 3mka h ALA 467 N 1.67 0.50 0.00 1.67 0.00 -1.04 -0.57 119.26 121.49 3mka h ALA 467 Ca 0.62 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 3mka h ALA 467 Cb 1.35 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3mka h ALA 467 CO -0.38 0.31 -0.22 0.28 0.00 0.00 0.00 179.25 179.24 3mka h VAL 468 N 0.48 0.71 0.11 0.00 2.07 -0.20 -2.44 116.25 116.97 3mka h VAL 468 Ca 0.10 -0.95 -0.26 0.00 0.82 0.00 0.00 66.70 66.40 3mka h VAL 468 Cb 0.53 1.60 0.03 0.00 -1.52 0.00 0.00 31.29 31.93 3mka h VAL 468 CO 0.03 0.22 -1.10 -0.08 0.02 0.00 0.00 177.57 176.66 3mka h GLU 469 N 0.00 0.55 -0.28 1.57 4.81 -0.76 -2.37 114.58 118.10 3mka h GLU 469 Ca -0.00 -0.74 -0.01 0.00 -0.13 0.00 0.00 59.36 58.48 3mka h GLU 469 Cb 0.58 0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 3mka h GLU 469 CO 0.03 1.32 0.15 0.00 -0.73 0.00 0.00 179.01 179.78 3mka h ALA 470 N 0.26 1.74 0.00 2.92 0.00 -0.89 0.24 119.26 123.53 3mka h ALA 470 Ca -0.17 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 3mka h ALA 470 Cb 1.80 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 3mka h ALA 470 CO 0.21 0.22 -0.30 1.25 0.00 0.00 0.00 179.25 180.64 3mka h LEU 471 N 0.38 0.00 -0.09 0.00 5.85 -1.44 -1.84 115.31 118.18 3mka h LEU 471 Ca 0.10 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 3mka h LEU 471 Cb 0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3mka h LEU 471 CO -0.02 0.30 -0.23 0.22 -0.34 0.00 0.00 178.44 178.37 3mka h TYR 472 N 0.00 0.41 -0.65 1.25 3.20 -0.09 -2.19 116.97 118.91 3mka h TYR 472 Ca -0.00 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 61.70 3mka h TYR 472 Cb 1.11 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.28 3mka h TYR 472 CO 0.00 0.84 0.36 -0.44 -1.64 0.00 0.00 178.16 177.29 3mka h ASP 473 N -0.14 0.78 -0.38 -2.11 3.32 -0.83 -1.59 116.42 115.47 3mka h ASP 473 Ca -0.00 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 56.87 3mka h ASP 473 Cb 0.84 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 3mka h ASP 473 CO 0.05 0.62 -0.22 0.00 -1.72 0.00 0.00 179.24 177.97 3mka h ALA 474 N 1.51 0.78 0.00 3.45 0.00 -1.29 -2.58 119.26 121.14 3mka h ALA 474 Ca 0.23 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3mka h ALA 474 Cb 0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3mka h ALA 474 CO -0.04 0.65 -0.12 0.00 0.00 0.00 0.00 179.25 179.74 3mka h ALA 475 N 0.98 1.06 -0.34 0.00 0.00 -0.65 -2.18 119.26 118.13 3mka h ALA 475 Ca 0.10 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 3mka h ALA 475 Cb 0.77 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3mka h ALA 475 CO 0.06 0.16 -0.39 0.22 0.00 0.00 0.00 179.25 179.30 3mka h ASP 476 N 0.00 0.86 -0.01 0.00 3.58 -0.99 -3.32 116.42 116.54 3mka h ASP 476 Ca -0.00 -0.39 0.00 0.00 0.42 0.00 0.00 57.03 57.06 3mka h ASP 476 Cb 0.56 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.37 3mka h ASP 476 CO 0.02 1.14 -0.26 0.47 -2.88 0.00 0.00 179.24 177.72 3mka n ASP 477 N -4.05 1.91 -3.85 2.28 8.00 -1.12 -4.91 116.55 114.81 3mka n ASP 477 Ca -0.02 -1.45 -0.25 0.00 0.71 0.00 0.00 54.79 53.77 3mka n ASP 477 Cb 0.53 0.35 -0.17 0.00 -0.02 0.00 0.00 41.12 41.81 3mka n ASP 477 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3mka s ASP 478 N -1.87 1.97 0.26 -2.24 2.15 -0.84 -5.00 116.67 111.10 3mka s ASP 478 Ca 0.16 -0.23 0.23 0.00 0.43 0.00 0.00 52.55 53.15 3mka s ASP 478 Cb 0.14 -0.69 0.99 0.00 -0.30 0.00 0.00 42.92 43.06 3mka s ASP 478 CO 0.38 -0.15 1.71 -1.54 -0.17 0.00 0.00 175.17 175.39 3mka n SER 479 N 5.02 0.66 0.06 -0.34 3.41 -1.26 -2.61 113.62 118.57 3mka n SER 479 Ca -0.10 0.67 0.13 0.00 -0.26 0.00 0.00 58.87 59.30 3mka n SER 479 Cb 0.50 -0.81 0.36 0.00 -0.26 0.00 0.00 64.21 64.00 3mka n SER 479 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mka n ALA 480 N -1.77 2.61 -2.75 7.33 0.00 -1.26 -4.73 120.51 119.94 3mka n ALA 480 Ca 0.02 -0.14 -0.36 0.00 0.00 0.00 0.00 53.44 52.96 3mka n ALA 480 Cb 0.22 -1.34 -0.10 0.00 0.00 0.00 0.00 19.45 18.23 3mka n ALA 480 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3mka s THR 481 N -3.09 5.11 -0.05 0.00 2.01 -1.07 -4.45 115.64 114.09 3mka s THR 481 Ca 0.10 0.09 -0.15 0.00 0.31 0.00 0.00 61.69 62.04 3mka s THR 481 Cb 0.14 -3.35 -0.05 0.00 0.01 0.00 0.00 72.50 69.25 3mka s THR 481 CO 0.63 0.39 0.40 -0.83 -0.69 0.00 0.00 174.62 174.53 3mka s GLY 482 N 0.79 2.42 0.21 4.40 0.00 -1.26 -4.52 107.32 109.35 3mka s GLY 482 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.53 3mka s GLY 482 CO 0.02 0.30 0.29 0.61 0.00 0.00 0.00 173.10 174.32 3mka n GLY 483 N 2.34 0.95 3.65 0.20 0.00 -1.26 -4.37 105.19 106.70 3mka n GLY 483 Ca -0.12 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 3mka n GLY 483 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mka s PRO 484 N -3.12 3.95 -0.69 1.61 0.04 -1.26 -4.94 135.00 130.59 3mka s PRO 484 Ca 0.19 2.47 -0.22 0.00 0.04 0.00 0.00 61.00 63.48 3mka s PRO 484 Cb -0.01 -4.19 0.08 0.00 0.04 0.00 0.00 34.50 30.41 3mka s PRO 484 CO 0.13 -1.17 0.99 0.34 0.04 0.00 0.00 177.00 177.33 3mka s ASP 485 N 5.08 6.22 0.37 6.66 -1.08 -0.47 -4.89 116.67 128.55 3mka s ASP 485 Ca 0.89 -1.10 0.19 0.00 -0.52 0.00 0.00 52.55 52.02 3mka s ASP 485 Cb -0.40 -2.42 0.61 0.00 -1.46 0.00 0.00 42.92 39.25 3mka s ASP 485 CO 0.40 -1.41 1.69 -0.07 0.52 0.00 0.00 175.17 176.30 3mka h LEU 486 N 11.29 0.00 -0.46 -1.34 4.07 -1.93 0.24 115.31 127.18 3mka h LEU 486 Ca -0.24 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.65 3mka h LEU 486 Cb 1.06 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.79 3mka h LEU 486 CO 1.18 0.37 0.01 0.58 -1.08 0.00 0.00 178.44 179.50 3mka h VAL 487 N 0.00 1.26 -0.01 1.22 2.07 -1.97 -3.24 116.25 115.58 3mka h VAL 487 Ca -0.00 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.49 3mka h VAL 487 Cb 0.97 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 3mka h VAL 487 CO 0.05 0.36 -0.69 0.54 0.02 0.00 0.00 177.57 177.85 3mka n ARG 488 N -4.38 0.79 -3.51 1.57 1.74 -1.22 -5.01 116.66 106.64 3mka n ARG 488 Ca 0.00 -0.56 -0.21 0.00 -0.77 0.00 0.00 57.85 56.31 3mka n ARG 488 Cb 0.30 -1.47 0.08 0.00 -1.02 0.00 0.00 32.46 30.35 3mka n ARG 488 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mka n GLY 489 N 1.44 -0.45 3.54 -0.13 0.00 0.75 -5.02 105.19 105.33 3mka n GLY 489 Ca 0.07 0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 3mka n GLY 489 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mka s ILE 490 N -3.32 4.34 0.28 -0.61 1.01 -0.73 -4.98 121.20 117.19 3mka s ILE 490 Ca 0.43 -0.19 0.03 0.00 0.00 0.00 0.00 60.65 60.92 3mka s ILE 490 Cb -0.19 -2.95 -0.06 0.00 0.01 0.00 0.00 42.46 39.28 3mka s ILE 490 CO 0.70 0.45 0.04 -0.36 0.00 0.00 0.00 174.94 175.77 3mka s PHE 491 N 0.60 1.75 0.87 3.97 0.08 -1.26 -1.37 117.98 122.62 3mka s PHE 491 Ca 0.01 -0.98 -0.12 0.00 0.12 0.00 0.00 56.93 55.96 3mka s PHE 491 Cb -0.14 -1.07 0.09 0.00 -0.57 0.00 0.00 43.02 41.33 3mka s PHE 491 CO 0.02 -0.06 0.95 -2.30 -0.10 0.00 0.00 175.22 173.72 3mka n PRO 492 N -0.55 -0.15 -4.21 0.24 -0.02 -1.26 -4.79 135.00 124.26 3mka n PRO 492 Ca -0.03 0.02 -0.31 0.00 -2.02 0.00 0.00 63.50 61.16 3mka n PRO 492 Cb 0.65 -2.23 -0.09 0.00 -0.02 0.00 0.00 33.50 31.81 3mka n PRO 492 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3mka s THR 493 N -2.36 3.93 0.07 3.45 -4.23 -0.96 -4.95 115.64 110.59 3mka s THR 493 Ca 0.67 -0.91 -0.01 0.00 -1.18 0.00 0.00 61.69 60.25 3mka s THR 493 Cb -0.26 -2.83 -0.04 0.00 1.34 0.00 0.00 72.50 70.72 3mka s THR 493 CO 0.58 0.20 -0.01 0.00 -0.54 0.00 0.00 174.62 174.85 3mka s ALA 494 N -1.22 0.60 -0.01 3.99 0.00 -1.26 -1.96 121.76 121.90 3mka s ALA 494 Ca 0.23 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.92 3mka s ALA 494 Cb -0.12 0.40 0.01 0.00 0.00 0.00 0.00 23.12 23.41 3mka s ALA 494 CO 0.15 -0.39 0.01 0.08 0.00 0.00 0.00 175.76 175.61 3mka s VAL 495 N -3.94 0.01 0.09 0.00 1.01 0.34 -1.09 120.40 116.82 3mka s VAL 495 Ca 0.11 0.08 0.10 0.00 0.00 0.00 0.00 61.98 62.27 3mka s VAL 495 Cb 0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 36.38 36.36 3mka s VAL 495 CO -0.07 0.05 -0.27 -0.51 0.00 0.00 0.00 175.10 174.30 3mka s ILE 496 N 0.45 2.20 -0.05 2.22 2.07 -0.34 -1.06 121.20 126.69 3mka s ILE 496 Ca -0.04 -1.59 -0.02 0.00 -1.41 0.00 0.00 60.65 57.59 3mka s ILE 496 Cb -0.06 -1.92 0.03 0.00 0.13 0.00 0.00 42.46 40.64 3mka s ILE 496 CO -0.01 0.21 0.04 -0.63 -1.91 0.00 0.00 174.94 172.64 3mka s ILE 497 N -0.95 0.04 0.00 2.00 1.01 -0.30 -0.77 121.20 122.23 3mka s ILE 497 Ca 0.13 0.32 0.00 0.00 0.00 0.00 0.00 60.65 61.10 3mka s ILE 497 Cb -0.10 -0.25 0.00 0.00 0.01 0.00 0.00 42.46 42.12 3mka s ILE 497 CO 0.04 0.19 0.00 -0.90 0.00 0.00 0.00 174.94 174.28 3mka n ASP 498 N 5.13 0.90 0.04 3.58 5.68 -1.16 -1.59 116.55 129.13 3mka n ASP 498 Ca -0.07 -0.77 0.21 0.00 -0.50 0.00 0.00 54.79 53.67 3mka n ASP 498 Cb 0.50 0.00 0.73 0.00 -1.14 0.00 0.00 41.12 41.21 3mka n ASP 498 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3mka h ALA 499 N 1.00 2.27 -0.18 2.12 0.00 -1.93 0.80 119.26 123.34 3mka h ALA 499 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3mka h ALA 499 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3mka h ALA 499 CO 0.00 -0.71 0.00 -0.25 0.00 0.00 0.00 179.25 178.29 3mka n ASP 500 N -3.89 1.03 0.00 0.00 8.00 -1.26 -5.03 116.55 115.40 3mka n ASP 500 Ca 0.09 -1.96 0.00 0.00 0.71 0.00 0.00 54.79 53.63 3mka n ASP 500 Cb 0.66 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 3mka n ASP 500 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3mka n GLY 501 N 0.83 0.59 3.69 0.44 0.00 0.27 -4.99 105.19 106.02 3mka n GLY 501 Ca 0.07 -2.10 -0.39 0.00 0.00 0.00 0.00 46.02 43.60 3mka n GLY 501 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mka s ALA 502 N -1.17 3.48 0.05 4.61 0.00 -0.32 -3.01 121.76 125.39 3mka s ALA 502 Ca 0.00 -0.18 0.06 0.00 0.00 0.00 0.00 51.96 51.84 3mka s ALA 502 Cb 0.00 -2.85 -0.02 0.00 0.00 0.00 0.00 23.12 20.25 3mka s ALA 502 CO 0.00 -0.28 -0.16 0.08 0.00 0.00 0.00 175.76 175.40 3mka s VAL 503 N 1.25 1.28 0.12 0.00 1.01 0.05 -4.98 120.40 119.12 3mka s VAL 503 Ca 0.29 -1.11 -0.30 0.00 0.00 0.00 0.00 61.98 60.86 3mka s VAL 503 Cb -0.16 -1.15 -0.06 0.00 0.00 0.00 0.00 36.38 35.01 3mka s VAL 503 CO 0.12 0.03 1.12 -1.81 0.00 0.00 0.00 175.10 174.55 3mka s ASP 504 N -1.25 7.22 0.25 3.32 1.01 -1.26 -1.20 116.67 124.76 3mka s ASP 504 Ca 0.03 2.01 -0.30 0.00 0.71 0.00 0.00 52.55 55.00 3mka s ASP 504 Cb -0.08 -2.59 -0.09 0.00 1.01 0.00 0.00 42.92 41.16 3mka s ASP 504 CO 0.02 -0.31 1.03 -0.69 0.21 0.00 0.00 175.17 175.43 3mka s VAL 505 N 0.36 3.78 0.35 -1.27 1.01 -0.25 -4.91 120.40 119.47 3mka s VAL 505 Ca 0.53 1.77 -0.27 0.00 0.00 0.00 0.00 61.98 64.01 3mka s VAL 505 Cb -0.28 -4.13 -0.09 0.00 0.00 0.00 0.00 36.38 31.88 3mka s VAL 505 CO 0.32 0.41 1.10 -2.16 0.00 0.00 0.00 175.10 174.77 3mka s PRO 506 N -1.22 4.34 0.20 2.72 0.04 -1.26 -4.66 135.00 135.15 3mka s PRO 506 Ca 0.43 1.71 -0.18 0.00 0.04 0.00 0.00 61.00 63.01 3mka s PRO 506 Cb -0.29 -2.84 0.18 0.00 0.04 0.00 0.00 34.50 31.58 3mka s PRO 506 CO 0.37 -0.04 1.59 1.49 0.04 0.00 0.00 177.00 180.45 3mka h GLU 507 N 3.08 -0.10 -0.95 4.56 4.81 -1.94 -1.73 114.58 122.29 3mka h GLU 507 Ca -0.48 0.01 0.21 0.00 -0.13 0.00 0.00 59.36 58.97 3mka h GLU 507 Cb 1.22 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.54 3mka h GLU 507 CO 0.64 -0.07 0.62 0.66 -0.73 0.00 0.00 179.01 180.13 3mka h SER 508 N -0.11 0.50 0.72 1.04 4.64 -1.99 0.35 113.55 118.70 3mka h SER 508 Ca 0.27 0.06 -0.10 0.00 -0.47 0.00 0.00 61.79 61.55 3mka h SER 508 Cb 0.54 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 3mka h SER 508 CO -0.70 0.18 -0.46 -0.09 -0.87 0.00 0.00 176.83 174.89 3mka h ARG 509 N 0.49 0.00 0.06 4.77 9.65 -1.70 -1.52 114.38 126.13 3mka h ARG 509 Ca 0.51 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 59.28 3mka h ARG 509 Cb 1.16 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.76 3mka h ARG 509 CO -0.24 0.46 -0.47 0.82 2.80 0.00 0.00 179.97 183.34 3mka h ILE 510 N 0.00 1.59 -0.76 1.20 2.04 -0.43 -2.62 117.51 118.53 3mka h ILE 510 Ca -0.00 -2.33 0.11 0.00 1.00 0.00 0.00 64.86 63.63 3mka h ILE 510 Cb 0.94 3.12 -0.08 0.00 -0.74 0.00 0.00 36.82 40.06 3mka h ILE 510 CO 0.06 0.64 0.38 0.00 0.00 0.00 0.00 178.15 179.23 3mka h ALA 511 N 0.12 1.07 0.00 1.87 0.00 -0.64 0.21 119.26 121.89 3mka h ALA 511 Ca -0.08 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3mka h ALA 511 Cb 1.32 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 3mka h ALA 511 CO 0.09 -0.06 -0.06 1.49 0.00 0.00 0.00 179.25 180.71 3mka h GLU 512 N 0.60 0.00 0.00 0.00 4.81 -1.34 -1.71 114.58 116.94 3mka h GLU 512 Ca 0.39 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.41 3mka h GLU 512 Cb 0.46 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 3mka h GLU 512 CO -0.30 0.06 -1.10 1.25 -0.73 0.00 0.00 179.01 178.18 3mka h LEU 513 N 0.00 0.00 0.69 1.64 5.85 -0.49 -2.95 115.31 120.05 3mka h LEU 513 Ca -0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3mka h LEU 513 Cb 0.74 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.77 3mka h LEU 513 CO 0.01 0.86 -0.33 0.00 -0.34 0.00 0.00 178.44 178.64 3mka h ALA 514 N 1.14 -0.93 -0.94 1.25 0.00 -0.13 -2.36 119.26 117.29 3mka h ALA 514 Ca -0.08 -0.21 0.19 0.00 0.00 0.00 0.00 54.91 54.81 3mka h ALA 514 Cb 1.73 0.36 -0.11 0.00 0.00 0.00 0.00 17.79 19.77 3mka h ALA 514 CO 0.10 -0.87 0.51 0.00 0.00 0.00 0.00 179.25 179.00 3mka h ARG 515 N -1.23 0.61 -0.21 0.00 3.08 -1.45 0.54 114.38 115.72 3mka h ARG 515 Ca -0.09 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 59.96 3mka h ARG 515 Cb 0.72 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.59 3mka h ARG 515 CO 0.16 0.40 -0.06 0.00 -1.07 0.00 0.00 179.97 179.40 3mka h ALA 516 N 1.64 0.13 0.15 0.04 0.00 -1.39 0.15 119.26 119.98 3mka h ALA 516 Ca 0.55 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.54 3mka h ALA 516 Cb 0.90 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3mka h ALA 516 CO -0.42 -0.48 -0.07 0.82 0.00 0.00 0.00 179.25 179.10 3mka h ILE 517 N -0.01 0.86 0.39 0.00 2.04 0.49 0.60 117.51 121.88 3mka h ILE 517 Ca 0.10 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 3mka h ILE 517 Cb 0.16 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3mka h ILE 517 CO -0.22 0.01 -0.45 0.40 0.00 0.00 0.00 178.15 177.88 3mka h ILE 518 N -0.21 0.00 -0.71 -0.67 2.04 -0.65 -0.78 117.51 116.52 3mka h ILE 518 Ca -0.02 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.99 3mka h ILE 518 Cb 0.16 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.12 3mka h ILE 518 CO 0.03 0.00 -0.06 -0.33 0.00 0.00 0.00 178.15 177.79 3mka h GLU 519 N -0.86 0.06 0.00 2.37 3.07 -0.66 0.45 114.58 119.02 3mka h GLU 519 Ca -0.05 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3mka h GLU 519 Cb 0.76 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.65 3mka h GLU 519 CO -0.09 0.04 0.00 1.03 -1.40 0.00 0.00 179.01 178.59 3mka h SER 520 N 0.06 0.00 0.12 1.42 0.87 -0.51 -2.88 113.55 112.63 3mka h SER 520 Ca 0.37 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.56 3mka h SER 520 Cb 0.62 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.56 3mka h SER 520 CO -0.67 0.00 -2.04 0.54 -0.53 0.00 0.00 176.83 174.13 3mka n ARG 521 N -2.39 0.75 0.00 2.24 5.12 0.15 -3.69 116.66 118.83 3mka n ARG 521 Ca 0.00 0.25 0.06 0.00 -1.93 0.00 0.00 57.85 56.23 3mka n ARG 521 Cb 0.16 -1.69 0.32 0.00 -1.16 0.00 0.00 32.46 30.08 3mka n ARG 521 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3mka n SER 522 N -3.46 0.00 -0.61 0.55 7.64 -0.63 -5.11 113.62 112.00 3mka n SER 522 Ca -0.33 -0.02 0.08 0.00 1.01 0.00 0.00 58.87 59.61 3mka n SER 522 Cb 1.04 -0.21 0.06 0.00 -1.01 0.00 0.00 64.21 64.10 3mka n SER 522 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64