#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bze n GLY -20 N 0.00 -1.82 3.56 3.03 0.00 -1.26 -5.08 105.19 103.63 2bze n GLY -20 Ca 0.00 0.77 -0.28 0.00 0.00 0.00 0.00 46.02 46.51 2bze n GLY -20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bze s SER -19 N 0.00 5.29 -0.04 1.61 0.01 -1.26 -4.66 113.70 114.65 2bze s SER -19 Ca 0.00 -0.77 0.17 0.00 1.31 0.00 0.00 55.95 56.66 2bze s SER -19 Cb 0.00 -2.56 -0.21 0.00 0.21 0.00 0.00 66.02 63.46 2bze s SER -19 CO 0.00 -2.61 0.55 -1.20 0.41 0.00 0.00 173.24 170.39 2bze n SER -18 N 13.41 0.52 -2.99 2.44 7.64 -1.26 -5.04 113.62 128.35 2bze n SER -18 Ca 0.39 0.24 -0.14 0.00 1.01 0.00 0.00 58.87 60.37 2bze n SER -18 Cb 0.47 0.57 0.02 0.00 -1.01 0.00 0.00 64.21 64.26 2bze n SER -18 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2bze n HIS -17 N -2.80 -3.32 1.29 1.43 -0.00 -1.26 -4.93 115.22 105.63 2bze n HIS -17 Ca -0.17 1.35 0.13 0.00 -0.00 0.00 0.00 57.72 59.04 2bze n HIS -17 Cb 0.93 -3.59 0.35 0.00 -0.00 0.00 0.00 29.99 27.68 2bze n HIS -17 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2bze n HIS -16 N -0.23 0.00 -0.70 1.57 -0.00 -1.26 -3.91 115.22 110.69 2bze n HIS -16 Ca 0.07 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.69 2bze n HIS -16 Cb 0.49 -0.02 0.21 0.00 -0.00 0.00 0.00 29.99 30.67 2bze n HIS -16 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2bze n HIS -15 N 0.31 2.20 1.62 4.41 -0.00 -1.26 -4.32 115.22 118.18 2bze n HIS -15 Ca 0.16 -1.24 0.13 0.00 -0.00 0.00 0.00 57.72 56.77 2bze n HIS -15 Cb 0.42 -0.68 0.75 0.00 -0.00 0.00 0.00 29.99 30.48 2bze n HIS -15 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2bze n HIS -14 N -0.37 0.00 -1.00 4.41 -0.00 -1.25 -2.34 115.22 114.68 2bze n HIS -14 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.11 2bze n HIS -14 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 31.29 2bze n HIS -14 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2bze n HIS -13 N -0.99 0.00 -4.36 -1.40 -0.00 -1.26 -5.09 115.22 102.12 2bze n HIS -13 Ca 0.19 -0.00 -0.19 0.00 -0.00 0.00 0.00 57.72 57.72 2bze n HIS -13 Cb 0.09 -0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 29.93 2bze n HIS -13 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2bze s HIS -12 N -0.00 0.85 -0.14 1.57 0.09 -0.99 -5.01 115.29 111.66 2bze s HIS -12 Ca 0.00 -0.19 -0.23 0.00 -0.00 0.00 0.00 55.06 54.65 2bze s HIS -12 Cb 0.00 -0.58 -0.25 0.00 -0.00 0.00 0.00 32.58 31.75 2bze s HIS -12 CO 0.00 -0.06 0.58 0.77 -0.00 0.00 0.00 174.74 176.03 2bze h SER -11 N 6.18 0.15 0.00 1.40 0.02 -1.98 -3.44 113.55 115.89 2bze h SER -11 Ca -0.32 -0.82 0.00 0.00 -0.84 0.00 0.00 61.79 59.81 2bze h SER -11 Cb 1.17 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.66 2bze h SER -11 CO 0.49 1.34 -0.04 -1.54 -1.14 0.00 0.00 176.83 175.94 2bze n SER -10 N -4.33 0.18 0.00 3.07 3.41 -1.26 -5.00 113.62 109.70 2bze n SER -10 Ca -0.20 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 2bze n SER -10 Cb 0.68 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 2bze n SER -10 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bze n GLY -9 N 2.89 0.24 1.87 5.00 0.00 -1.26 -3.15 105.19 110.79 2bze n GLY -9 Ca -0.01 0.58 -0.16 0.00 0.00 0.00 0.00 46.02 46.43 2bze n GLY -9 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2bze n LEU -8 N 0.00 6.41 -4.73 0.99 4.77 -1.26 -4.92 117.00 118.26 2bze n LEU -8 Ca 0.00 -3.25 -0.41 0.00 -0.03 0.00 0.00 56.01 52.32 2bze n LEU -8 Cb 0.00 -1.06 -0.04 0.00 -2.33 0.00 0.00 43.42 39.99 2bze n LEU -8 CO 0.00 1.21 0.78 0.54 -1.33 0.00 0.00 177.39 178.60 2bze s VAL -7 N -2.17 4.02 0.94 4.08 0.11 -1.19 -5.04 120.40 121.16 2bze s VAL -7 Ca 0.29 1.67 -0.12 0.00 -2.93 0.00 0.00 61.98 60.89 2bze s VAL -7 Cb 0.23 -4.07 0.15 0.00 -1.53 0.00 0.00 36.38 31.16 2bze s VAL -7 CO -0.00 0.25 1.10 -2.16 -3.33 0.00 0.00 175.10 170.96 2bze s PRO -6 N -0.04 0.92 0.31 1.54 0.04 -1.26 -4.91 135.00 131.59 2bze s PRO -6 Ca 0.51 0.52 0.00 0.00 0.04 0.00 0.00 61.00 62.06 2bze s PRO -6 Cb -0.28 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.46 2bze s PRO -6 CO 0.33 -2.40 0.00 0.54 0.04 0.00 0.00 177.00 175.51 2bze n ARG -5 N -3.94 -2.62 -2.61 4.56 3.00 -1.26 -4.91 116.66 108.88 2bze n ARG -5 Ca 0.06 1.74 -0.18 0.00 -0.01 0.00 0.00 57.85 59.46 2bze n ARG -5 Cb 0.57 -3.19 -0.00 0.00 0.00 0.00 0.00 32.46 29.84 2bze n ARG -5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2bze n GLY -4 N -3.92 -0.50 0.06 -0.13 0.00 -1.26 -4.75 105.19 94.69 2bze n GLY -4 Ca 0.01 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.18 2bze n GLY -4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2bze n SER -3 N -2.06 0.64 -2.83 1.61 7.64 -1.26 -3.58 113.62 113.78 2bze n SER -3 Ca -0.17 0.21 -0.10 0.00 1.01 0.00 0.00 58.87 59.82 2bze n SER -3 Cb 0.64 -0.11 0.06 0.00 -1.01 0.00 0.00 64.21 63.79 2bze n SER -3 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2bze n HIS -2 N -2.01 -3.59 -4.52 1.43 8.25 -1.26 -4.99 115.22 108.53 2bze n HIS -2 Ca 0.04 -0.55 -0.29 0.00 -0.26 0.00 0.00 57.72 56.66 2bze n HIS -2 Cb 0.41 -0.33 -0.13 0.00 1.12 0.00 0.00 29.99 31.06 2bze n HIS -2 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2bze s MET -1 N -3.73 1.48 0.01 -0.41 -1.94 -1.26 -3.20 119.30 110.25 2bze s MET -1 Ca 0.26 -1.26 -0.30 0.00 -1.71 0.00 0.00 55.69 52.68 2bze s MET -1 Cb -0.01 -1.87 -0.08 0.00 2.01 0.00 0.00 34.83 34.89 2bze s MET -1 CO 0.18 0.45 1.81 0.54 -0.01 0.00 0.00 175.02 177.99 2bze s VAL 345 N -1.00 3.22 0.00 -6.03 0.11 0.26 -4.80 120.40 112.16 2bze s VAL 345 Ca 0.13 0.33 0.00 0.00 -2.93 0.00 0.00 61.98 59.51 2bze s VAL 345 Cb -0.10 -3.21 0.00 0.00 -1.53 0.00 0.00 36.38 31.54 2bze s VAL 345 CO 0.05 -0.03 0.45 -1.20 -3.33 0.00 0.00 175.10 171.04 2bze n SER 346 N 7.12 0.90 -4.43 3.54 7.64 -1.26 -4.83 113.62 122.29 2bze n SER 346 Ca 0.18 -0.96 -0.33 0.00 1.01 0.00 0.00 58.87 58.77 2bze n SER 346 Cb 0.42 0.07 -0.13 0.00 -1.01 0.00 0.00 64.21 63.55 2bze n SER 346 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2bze s LEU 347 N -0.13 2.84 0.60 -3.43 1.02 -1.26 -4.98 118.68 113.34 2bze s LEU 347 Ca 0.00 -0.24 0.31 0.00 0.02 0.00 0.00 54.13 54.22 2bze s LEU 347 Cb 0.00 -1.63 1.82 0.00 0.02 0.00 0.00 46.19 46.40 2bze s LEU 347 CO 0.00 0.22 2.20 -0.65 0.02 0.00 0.00 176.35 178.15 2bze h PRO 348 N 6.26 0.00 -0.03 1.29 0.11 -1.92 -2.16 132.00 135.55 2bze h PRO 348 Ca -0.33 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.62 2bze h PRO 348 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2bze h PRO 348 CO 0.55 0.00 -0.70 1.05 -0.21 0.00 0.00 178.00 178.69 2bze h GLU 349 N 0.00 0.15 -0.18 1.05 4.11 -1.93 0.29 114.58 118.07 2bze h GLU 349 Ca 0.03 -0.13 -0.16 0.00 0.07 0.00 0.00 59.36 59.17 2bze h GLU 349 Cb 0.20 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2bze h GLU 349 CO -0.00 0.79 -0.56 0.93 0.07 0.00 0.00 179.01 180.24 2bze h GLU 350 N 0.10 0.56 0.00 1.06 4.39 -1.82 -1.56 114.58 117.31 2bze h GLU 350 Ca -0.02 -0.36 -0.03 0.00 0.34 0.00 0.00 59.36 59.29 2bze h GLU 350 Cb 1.25 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.93 2bze h GLU 350 CO 0.10 0.97 -0.16 1.25 -1.16 0.00 0.00 179.01 180.01 2bze h LEU 351 N 0.43 0.00 -0.18 1.33 5.85 -1.16 -2.83 115.31 118.74 2bze h LEU 351 Ca 0.01 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 2bze h LEU 351 Cb 1.11 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 2bze h LEU 351 CO 0.11 0.16 -0.34 0.78 -0.34 0.00 0.00 178.44 178.81 2bze h ASN 352 N 0.00 0.00 0.96 1.25 2.35 0.07 0.76 115.58 120.98 2bze h ASN 352 Ca -0.00 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.53 2bze h ASN 352 Cb 0.95 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.29 2bze h ASN 352 CO 0.02 0.34 -1.06 0.08 -1.65 0.00 0.00 177.43 175.17 2bze h ARG 353 N 0.00 0.01 -0.01 0.81 0.11 -1.09 -3.15 114.38 111.05 2bze h ARG 353 Ca -0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2bze h ARG 353 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 2bze h ARG 353 CO 0.04 0.97 -0.25 1.33 0.10 0.00 0.00 179.97 182.16 2bze n VAL 354 N -3.33 0.00 -2.11 0.08 0.24 -1.09 -4.66 118.33 107.47 2bze n VAL 354 Ca -0.01 -0.16 -0.41 0.00 -2.04 0.00 0.00 64.34 61.71 2bze n VAL 354 Cb 0.95 0.53 -0.03 0.00 -1.47 0.00 0.00 33.84 33.82 2bze n VAL 354 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2bze s ARG 355 N -2.43 4.32 0.01 7.34 3.52 0.25 -1.75 118.95 130.21 2bze s ARG 355 Ca 0.25 2.18 0.06 0.00 -0.13 0.00 0.00 55.73 58.09 2bze s ARG 355 Cb 0.19 -3.16 -0.03 0.00 -1.56 0.00 0.00 34.95 30.40 2bze s ARG 355 CO 0.50 -0.36 -0.16 -0.51 -0.81 0.00 0.00 175.30 173.96 2bze s LEU 356 N -0.10 2.68 0.41 -0.88 1.43 0.41 -4.94 118.68 117.69 2bze s LEU 356 Ca 0.59 -0.33 0.08 0.00 -1.03 0.00 0.00 54.13 53.44 2bze s LEU 356 Cb -0.39 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 2bze s LEU 356 CO 0.40 0.29 0.43 -0.94 0.23 0.00 0.00 176.35 176.76 2bze s SER 357 N -1.19 5.25 0.34 2.29 1.04 -1.26 -3.48 113.70 116.69 2bze s SER 357 Ca 0.14 -0.63 0.04 0.00 0.48 0.00 0.00 55.95 55.98 2bze s SER 357 Cb -0.11 -0.63 0.63 0.00 0.10 0.00 0.00 66.02 66.02 2bze s SER 357 CO 0.04 -0.67 1.91 0.08 0.98 0.00 0.00 173.24 175.58 2bze h ARG 358 N 0.92 0.57 -0.42 4.02 0.11 -1.73 -2.29 114.38 115.56 2bze h ARG 358 Ca -0.41 -0.10 -0.04 0.00 0.10 0.00 0.00 59.98 59.52 2bze h ARG 358 Cb 1.27 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 32.24 2bze h ARG 358 CO 0.54 0.54 0.08 1.25 0.10 0.00 0.00 179.97 182.47 2bze h HIS 359 N 0.55 0.65 -0.29 4.08 2.76 -1.91 0.30 115.15 121.30 2bze h HIS 359 Ca 0.13 -0.05 -0.10 0.00 -2.20 0.00 0.00 60.37 58.15 2bze h HIS 359 Cb 0.24 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 2bze h HIS 359 CO 0.01 0.58 -0.20 0.87 -1.30 0.00 0.00 177.93 177.89 2bze h LYS 360 N 0.62 0.64 -0.29 5.26 1.57 -1.82 -0.15 116.57 122.40 2bze h LYS 360 Ca 0.14 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 2bze h LYS 360 Cb 0.27 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2bze h LYS 360 CO 0.00 0.90 0.01 -0.07 -0.57 0.00 0.00 179.45 179.72 2bze h LEU 361 N 0.38 0.50 -1.22 2.94 3.38 -1.13 -1.29 115.31 118.87 2bze h LEU 361 Ca 0.06 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.77 2bze h LEU 361 Cb 0.74 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 2bze h LEU 361 CO 0.05 0.68 0.54 -0.08 0.09 0.00 0.00 178.44 179.72 2bze h GLU 362 N 0.31 0.96 0.00 1.13 4.81 -0.33 0.11 114.58 121.57 2bze h GLU 362 Ca 0.08 -0.06 -0.19 0.00 -0.13 0.00 0.00 59.36 59.07 2bze h GLU 362 Cb 0.42 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 2bze h GLU 362 CO 0.01 0.64 -0.95 0.07 -0.73 0.00 0.00 179.01 178.05 2bze h ARG 363 N 0.99 0.00 -0.00 1.92 0.11 -0.80 -3.12 114.38 113.47 2bze h ARG 363 Ca 0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.42 2bze h ARG 363 Cb 0.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.16 2bze h ARG 363 CO -0.10 0.77 -0.08 0.91 0.10 0.00 0.00 179.97 181.56 2bze n TRP 364 N -3.26 0.00 0.21 4.08 8.01 -0.50 -3.74 117.44 122.24 2bze n TRP 364 Ca -0.02 0.00 0.07 0.00 -1.31 0.00 0.00 57.50 56.24 2bze n TRP 364 Cb 0.89 -0.19 0.44 0.00 -2.01 0.00 0.00 31.31 30.44 2bze n TRP 364 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2bze n HIS 366 N -3.72 0.45 -1.51 0.00 1.44 -1.25 -4.89 115.22 105.75 2bze n HIS 366 Ca -0.01 0.13 -0.25 0.00 -2.01 0.00 0.00 57.72 55.58 2bze n HIS 366 Cb 0.41 -0.58 0.19 0.00 0.12 0.00 0.00 29.99 30.13 2bze n HIS 366 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 2bze n MET 367 N -2.05 -1.71 0.00 -1.40 2.00 -0.76 -5.07 117.12 108.12 2bze n MET 367 Ca 0.03 -1.67 0.00 0.00 0.00 0.00 0.00 57.70 56.05 2bze n MET 367 Cb 0.44 -1.26 0.00 0.00 0.00 0.00 0.00 33.22 32.40 2bze n MET 367 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 2bze n PRO 368 N -3.75 -0.66 -1.70 0.03 -0.02 -1.26 -4.87 135.00 122.76 2bze n PRO 368 Ca 0.14 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.19 2bze n PRO 368 Cb 0.50 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.95 2bze n PRO 368 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2bze s PHE 369 N -0.97 1.33 -1.33 6.00 -0.71 -1.26 -4.80 117.98 116.25 2bze s PHE 369 Ca 0.00 0.25 0.25 0.00 -1.04 0.00 0.00 56.93 56.39 2bze s PHE 369 Cb 0.00 -4.04 0.56 0.00 -1.21 0.00 0.00 43.02 38.33 2bze s PHE 369 CO 0.00 -4.34 1.44 1.97 -1.34 0.00 0.00 175.22 172.95 2bze n PHE 370 N 10.07 0.00 -0.34 3.49 1.16 -1.26 -4.46 117.46 126.11 2bze n PHE 370 Ca 0.25 0.00 0.22 0.00 -1.87 0.00 0.00 57.45 56.06 2bze n PHE 370 Cb 0.44 -0.18 0.48 0.00 -1.61 0.00 0.00 39.48 38.61 2bze n PHE 370 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2bze h ALA 371 N 3.29 2.10 -0.08 1.98 0.00 -1.96 0.15 119.26 124.75 2bze h ALA 371 Ca 0.00 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 2bze h ALA 371 Cb 0.51 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.36 2bze h ALA 371 CO 0.00 -0.57 -0.50 -0.22 0.00 0.00 0.00 179.25 177.96 2bze h LYS 372 N 0.42 0.48 -0.34 0.00 3.11 -1.94 -1.92 116.57 116.38 2bze h LYS 372 Ca 0.64 -0.41 -0.12 0.00 -2.81 0.00 0.00 60.65 57.96 2bze h LYS 372 Cb 1.52 0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 32.83 2bze h LYS 372 CO -0.39 1.05 -0.26 1.15 -2.81 0.00 0.00 179.45 178.18 2bze h THR 373 N 0.05 1.27 0.00 1.00 2.02 -1.39 -2.90 112.91 112.96 2bze h THR 373 Ca -0.04 -1.36 -0.11 0.00 0.77 0.00 0.00 66.41 65.67 2bze h THR 373 Cb 1.16 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.84 2bze h THR 373 CO 0.10 0.45 -0.50 -0.37 0.37 0.00 0.00 175.52 175.57 2bze h VAL 374 N 0.60 0.89 -2.42 3.16 -1.51 -0.79 -3.42 116.25 112.77 2bze h VAL 374 Ca 0.08 -2.18 -0.56 0.00 -1.23 0.00 0.00 66.70 62.81 2bze h VAL 374 Cb 0.75 2.39 -0.00 0.00 -2.13 0.00 0.00 31.29 32.29 2bze h VAL 374 CO 0.06 0.49 1.26 -0.89 -1.23 0.00 0.00 177.57 177.26 2bze s THR 375 N -3.02 3.29 0.00 7.19 2.01 -0.72 -0.98 115.64 123.41 2bze s THR 375 Ca 0.03 0.33 0.00 0.00 0.31 0.00 0.00 61.69 62.37 2bze s THR 375 Cb 0.08 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 69.30 2bze s THR 375 CO 0.74 -0.12 0.00 0.61 -0.69 0.00 0.00 174.62 175.17 2bze n GLY 376 N 4.91 0.53 4.00 4.40 0.00 -0.49 -4.97 105.19 113.58 2bze n GLY 376 Ca 0.22 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.06 2bze n GLY 376 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bze s PHE 378 N -2.44 2.33 0.07 0.00 0.08124.07 -0.31 117.98 241.77 2bze s PHE 378 Ca 0.56 -0.35 0.03 0.00 0.12 0.00 0.00 56.93 57.29 2bze s PHE 378 Cb -0.10 -1.15 -0.03 0.00 -0.57 0.00 0.00 43.02 41.17 2bze s PHE 378 CO 0.34 0.51 -0.10 0.54 -0.10 0.00 0.00 175.22 176.41 2bze s VAL 379 N -1.70 0.83 -0.48 -0.44 0.11 0.29 -0.45 120.40 118.57 2bze s VAL 379 Ca 0.21 -1.35 -0.19 0.00 -2.93 0.00 0.00 61.98 57.73 2bze s VAL 379 Cb -0.08 -1.01 0.05 0.00 -1.53 0.00 0.00 36.38 33.81 2bze s VAL 379 CO 0.10 -0.41 0.58 -0.60 -3.33 0.00 0.00 175.10 171.44 2bze s ARG 380 N -2.09 3.12 -0.09 1.54 3.52 -1.23 -1.66 118.95 122.07 2bze s ARG 380 Ca -0.02 -0.86 -0.01 0.00 -0.13 0.00 0.00 55.73 54.71 2bze s ARG 380 Cb -0.07 -4.07 -0.03 0.00 -1.56 0.00 0.00 34.95 29.22 2bze s ARG 380 CO 0.01 -1.12 -0.02 -1.50 -0.81 0.00 0.00 175.30 171.85 2bze s ILE 381 N 2.49 4.08 -0.24 4.11 1.10 -0.90 -0.26 121.20 131.58 2bze s ILE 381 Ca 0.14 -0.33 -0.07 0.00 -0.51 0.00 0.00 60.65 59.89 2bze s ILE 381 Cb -0.19 -2.71 -0.03 0.00 0.15 0.00 0.00 42.46 39.69 2bze s ILE 381 CO 0.12 0.59 0.05 -0.83 -2.11 0.00 0.00 174.94 172.76 2bze s GLY 382 N -0.72 1.75 -0.84 1.50 0.00 -1.07 -0.56 107.32 107.37 2bze s GLY 382 Ca 0.11 -1.10 -0.01 0.00 0.00 0.00 0.00 44.72 43.71 2bze s GLY 382 CO 0.02 0.47 0.72 -0.26 0.00 0.00 0.00 173.10 174.05 2bze s ILE 383 N 1.49 4.18 0.00 0.90 -4.36 -0.37 -4.55 121.20 118.49 2bze s ILE 383 Ca 0.06 -3.77 0.00 0.00 -0.26 0.00 0.00 60.65 56.68 2bze s ILE 383 Cb -0.15 -3.62 0.00 0.00 1.25 0.00 0.00 42.46 39.94 2bze s ILE 383 CO 0.03 -1.05 0.00 0.61 0.24 0.00 0.00 174.94 174.76 2bze n GLY 384 N 2.47 0.70 3.36 6.27 0.00 -1.26 -4.87 105.19 111.86 2bze n GLY 384 Ca 0.19 -0.18 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 2bze n GLY 384 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2bze n ASN 385 N 0.03 5.20 -0.15 1.61 5.15 -1.26 -4.19 115.26 121.65 2bze n ASN 385 Ca 0.00 -3.00 0.00 0.00 -0.60 0.00 0.00 54.58 50.98 2bze n ASN 385 Cb 0.16 -1.56 0.00 0.00 -0.53 0.00 0.00 39.78 37.85 2bze n ASN 385 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 2bze n HIS 386 N 5.38 0.00 -4.16 1.20 8.25 -1.26 -4.97 115.22 119.66 2bze n HIS 386 Ca 0.38 -0.05 -0.22 0.00 -0.26 0.00 0.00 57.72 57.56 2bze n HIS 386 Cb 0.42 -0.02 -0.05 0.00 1.12 0.00 0.00 29.99 31.45 2bze n HIS 386 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2bze s ASN 387 N -0.42 5.18 0.26 0.41 3.84 -1.26 -5.02 114.94 117.93 2bze s ASN 387 Ca 0.01 -0.40 -0.02 0.00 0.21 0.00 0.00 52.86 52.66 2bze s ASN 387 Cb 0.01 -1.19 0.56 0.00 -0.55 0.00 0.00 41.25 40.08 2bze s ASN 387 CO 0.00 -0.04 1.67 0.28 -2.79 0.00 0.00 177.10 176.22 2bze h SER 388 N 1.61 0.04 -3.17 -4.21 0.02 -1.99 -3.37 113.55 102.48 2bze h SER 388 Ca -0.47 0.16 -0.60 0.00 -0.84 0.00 0.00 61.79 60.04 2bze h SER 388 Cb 1.24 0.21 -0.10 0.00 0.14 0.00 0.00 62.40 63.90 2bze h SER 388 CO 0.61 -0.07 -0.38 -1.59 -1.14 0.00 0.00 176.83 174.26 2bze s LYS 389 N -6.00 4.10 0.37 3.45 -2.85 -1.26 -5.05 119.74 112.50 2bze s LYS 389 Ca -0.12 0.01 -0.28 0.00 -1.00 0.00 0.00 55.97 54.58 2bze s LYS 389 Cb 0.23 -3.37 -0.11 0.00 -2.06 0.00 0.00 37.83 32.52 2bze s LYS 389 CO 0.76 0.37 1.45 -1.25 0.10 0.00 0.00 175.35 176.78 2bze s PRO 390 N 0.11 4.12 -0.45 1.78 0.04 -1.26 -4.85 135.00 134.49 2bze s PRO 390 Ca 0.15 2.49 0.04 0.00 0.04 0.00 0.00 61.00 63.71 2bze s PRO 390 Cb -0.13 -2.96 0.12 0.00 0.04 0.00 0.00 34.50 31.58 2bze s PRO 390 CO 0.03 -0.49 0.19 0.08 0.04 0.00 0.00 177.00 176.85 2bze s VAL 391 N -1.13 2.31 0.16 -0.36 1.01 -1.26 -5.07 120.40 116.06 2bze s VAL 391 Ca 0.53 -2.88 0.07 0.00 0.00 0.00 0.00 61.98 59.70 2bze s VAL 391 Cb -0.45 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 2bze s VAL 391 CO 0.61 -0.74 -0.15 -0.31 0.00 0.00 0.00 175.10 174.51 2bze s TYR 392 N 0.21 1.58 0.27 5.22 2.02 -1.26 -1.24 117.35 124.14 2bze s TYR 392 Ca 0.15 -0.56 -0.02 0.00 -0.37 0.00 0.00 57.07 56.26 2bze s TYR 392 Cb -0.23 -0.78 -0.02 0.00 -0.40 0.00 0.00 41.96 40.52 2bze s TYR 392 CO -0.03 0.25 0.31 1.03 -1.57 0.00 0.00 175.55 175.53 2bze s ARG 393 N -3.12 1.54 -0.17 -0.62 0.52 0.27 -4.92 118.95 112.44 2bze s ARG 393 Ca 0.16 -1.66 -0.17 0.00 -0.52 0.00 0.00 55.73 53.53 2bze s ARG 393 Cb -0.03 0.36 -0.04 0.00 0.52 0.00 0.00 34.95 35.76 2bze s ARG 393 CO 0.05 -0.58 0.45 0.08 0.02 0.00 0.00 175.30 175.31 2bze s VAL 394 N -3.74 5.18 -0.07 3.52 1.01 -1.26 -2.13 120.40 122.91 2bze s VAL 394 Ca 0.34 0.84 0.03 0.00 0.00 0.00 0.00 61.98 63.19 2bze s VAL 394 Cb 0.03 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2bze s VAL 394 CO 0.16 0.26 -0.17 0.00 0.00 0.00 0.00 175.10 175.36 2bze s ALA 395 N 1.12 1.58 0.14 5.51 0.00 -0.67 -4.49 121.76 124.95 2bze s ALA 395 Ca 0.22 -0.64 -0.30 0.00 0.00 0.00 0.00 51.96 51.24 2bze s ALA 395 Cb -0.15 -0.61 -0.06 0.00 0.00 0.00 0.00 23.12 22.30 2bze s ALA 395 CO 0.09 0.21 0.98 -2.00 0.00 0.00 0.00 175.76 175.04 2bze s GLU 396 N 0.39 4.70 -0.34 0.00 2.12 0.66 -0.55 118.70 125.69 2bze s GLU 396 Ca -0.12 1.50 -0.24 0.00 0.36 0.00 0.00 54.97 56.46 2bze s GLU 396 Cb -0.15 -3.35 0.01 0.00 0.26 0.00 0.00 34.13 30.90 2bze s GLU 396 CO 0.05 0.23 0.85 0.42 -0.54 0.00 0.00 175.26 176.26 2bze s ILE 397 N -0.18 4.70 -0.73 -3.70 1.01 0.57 -0.58 121.20 122.30 2bze s ILE 397 Ca 0.47 1.15 -0.01 0.00 0.00 0.00 0.00 60.65 62.26 2bze s ILE 397 Cb -0.25 -4.24 0.18 0.00 0.01 0.00 0.00 42.46 38.17 2bze s ILE 397 CO 0.31 -0.40 0.57 0.42 0.00 0.00 0.00 174.94 175.84 2bze s THR 398 N 3.19 3.77 0.00 2.92 -4.23 0.90 -1.39 115.64 120.80 2bze s THR 398 Ca 0.35 -3.53 0.00 0.00 -1.18 0.00 0.00 61.69 57.33 2bze s THR 398 Cb -0.13 -3.41 0.00 0.00 1.34 0.00 0.00 72.50 70.29 2bze s THR 398 CO 0.16 -0.97 0.00 0.61 -0.54 0.00 0.00 174.62 173.87 2bze n GLY 399 N 2.79 -0.84 3.20 3.99 0.00 -1.26 -2.45 105.19 110.62 2bze n GLY 399 Ca 0.15 -1.05 -0.26 0.00 0.00 0.00 0.00 46.02 44.85 2bze n GLY 399 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bze s VAL 400 N 0.00 1.54 0.14 1.61 1.01 -1.26 -1.83 120.40 121.61 2bze s VAL 400 Ca 0.00 -0.83 0.09 0.00 0.00 0.00 0.00 61.98 61.23 2bze s VAL 400 Cb 0.00 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 2bze s VAL 400 CO 0.00 0.44 -0.20 0.68 0.00 0.00 0.00 175.10 176.02 2bze s VAL 401 N -0.44 1.81 0.06 2.92 -7.23 0.19 -4.87 120.40 112.84 2bze s VAL 401 Ca 0.07 -1.77 0.02 0.00 -1.81 0.00 0.00 61.98 58.49 2bze s VAL 401 Cb -0.08 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.08 2bze s VAL 401 CO -0.01 -0.19 0.11 -1.83 -0.31 0.00 0.00 175.10 172.87 2bze s GLU 402 N -2.42 3.03 0.51 4.82 -1.05 -1.26 0.22 118.70 122.55 2bze s GLU 402 Ca 0.12 -0.60 0.07 0.00 -0.15 0.00 0.00 54.97 54.42 2bze s GLU 402 Cb -0.08 -2.82 0.04 0.00 -0.44 0.00 0.00 34.13 30.83 2bze s GLU 402 CO 0.06 0.59 0.52 0.95 0.95 0.00 0.00 175.26 178.33 2bze s THR 403 N -1.38 2.13 -0.77 1.83 -4.23 0.15 -4.88 115.64 108.50 2bze s THR 403 Ca 0.29 -1.29 0.16 0.00 -1.18 0.00 0.00 61.69 59.67 2bze s THR 403 Cb -0.12 -2.42 0.57 0.00 1.34 0.00 0.00 72.50 71.87 2bze s THR 403 CO 0.22 0.00 1.49 0.00 -0.54 0.00 0.00 174.62 175.79 2bze n ALA 404 N -1.85 2.88 -3.64 3.99 0.00 -1.26 -4.74 120.51 115.88 2bze n ALA 404 Ca 0.05 -1.70 -0.21 0.00 0.00 0.00 0.00 53.44 51.57 2bze n ALA 404 Cb 0.63 -0.79 -0.17 0.00 0.00 0.00 0.00 19.45 19.11 2bze n ALA 404 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2bze s LYS 405 N -1.96 -0.01 -0.04 0.00 2.36 -1.26 -5.11 119.74 113.72 2bze s LYS 405 Ca 0.42 0.25 -0.30 0.00 -2.55 0.00 0.00 55.97 53.80 2bze s LYS 405 Cb 0.29 -0.92 -0.03 0.00 -1.05 0.00 0.00 37.83 36.11 2bze s LYS 405 CO 0.18 -0.45 1.18 0.08 1.55 0.00 0.00 175.35 177.89 2bze s VAL 406 N 2.19 4.28 0.47 4.02 1.01 -1.26 -4.41 120.40 126.68 2bze s VAL 406 Ca 0.04 1.61 0.08 0.00 0.00 0.00 0.00 61.98 63.70 2bze s VAL 406 Cb -0.13 -4.03 0.02 0.00 0.00 0.00 0.00 36.38 32.23 2bze s VAL 406 CO -0.06 0.02 0.52 -0.72 0.00 0.00 0.00 175.10 174.86 2bze s TYR 407 N 2.03 2.34 -0.49 5.22 -0.85 -0.48 -4.88 117.35 120.26 2bze s TYR 407 Ca 0.56 -0.55 -0.16 0.00 -0.52 0.00 0.00 57.07 56.39 2bze s TYR 407 Cb -0.25 -2.21 0.07 0.00 0.38 0.00 0.00 41.96 39.95 2bze s TYR 407 CO 0.23 -0.46 0.46 -1.14 -1.52 0.00 0.00 175.55 173.11 2bze s GLN 408 N -4.32 3.01 0.41 -3.49 2.00 -1.26 -3.68 119.66 112.34 2bze s GLN 408 Ca 0.51 -1.26 0.07 0.00 -2.00 0.00 0.00 55.36 52.68 2bze s GLN 408 Cb -0.06 -4.14 -0.06 0.00 0.80 0.00 0.00 33.01 29.56 2bze s GLN 408 CO 0.31 -1.09 0.12 -1.17 -0.50 0.00 0.00 175.29 172.96 2bze s LEU 409 N 1.88 3.03 0.15 3.68 2.96 -1.23 -4.96 118.68 124.18 2bze s LEU 409 Ca 0.07 -1.18 -0.33 0.00 -0.22 0.00 0.00 54.13 52.47 2bze s LEU 409 Cb -0.23 -1.25 -0.17 0.00 0.50 0.00 0.00 46.19 45.04 2bze s LEU 409 CO 0.08 -0.51 0.90 0.61 -1.32 0.00 0.00 176.35 176.10 2bze n GLY 410 N -1.15 -0.69 3.55 7.98 0.00 -1.26 -3.67 105.19 109.96 2bze n GLY 410 Ca -0.02 0.51 -0.14 0.00 0.00 0.00 0.00 46.02 46.36 2bze n GLY 410 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bze n GLY 411 N 1.82 -0.22 3.08 -0.02 0.00 -1.26 -4.80 105.19 103.79 2bze n GLY 411 Ca 0.17 0.26 -0.09 0.00 0.00 0.00 0.00 46.02 46.36 2bze n GLY 411 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2bze s THR 412 N 12.42 0.31 -0.22 2.61 -1.32 -1.24 -5.08 115.64 123.12 2bze s THR 412 Ca 0.99 -1.58 -0.01 0.00 -1.21 0.00 0.00 61.69 59.88 2bze s THR 412 Cb -0.25 -1.21 0.06 0.00 -1.51 0.00 0.00 72.50 69.59 2bze s THR 412 CO 0.16 -0.82 -0.02 -0.13 -2.21 0.00 0.00 174.62 171.60 2bze s ARG 413 N -3.19 1.26 -0.01 7.08 3.00 -1.26 -3.58 118.95 122.25 2bze s ARG 413 Ca 0.02 -0.76 0.01 0.00 0.00 0.00 0.00 55.73 55.00 2bze s ARG 413 Cb 0.02 -2.39 -0.00 0.00 0.00 0.00 0.00 34.95 32.58 2bze s ARG 413 CO -0.06 -0.61 -0.05 -0.08 0.00 0.00 0.00 175.30 174.50 2bze s THR 414 N 1.57 0.39 -0.89 0.02 -1.32 -1.24 -4.93 115.64 109.24 2bze s THR 414 Ca -0.04 -0.20 -0.02 0.00 -1.21 0.00 0.00 61.69 60.23 2bze s THR 414 Cb -0.18 -0.34 0.33 0.00 -1.51 0.00 0.00 72.50 70.80 2bze s THR 414 CO -0.07 0.12 2.00 -0.46 -2.21 0.00 0.00 174.62 174.00 2bze n ASN 415 N 3.05 7.47 -4.05 8.08 6.94 -1.26 -1.38 115.26 134.11 2bze n ASN 415 Ca -0.14 -3.78 -0.07 0.00 -0.02 0.00 0.00 54.58 50.57 2bze n ASN 415 Cb 0.58 -1.10 -0.10 0.00 -2.36 0.00 0.00 39.78 36.80 2bze n ASN 415 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 2bze s LYS 416 N -4.06 0.64 0.04 -3.83 0.00 -1.26 0.31 119.74 111.58 2bze s LYS 416 Ca 0.49 -1.15 -0.06 0.00 0.00 0.00 0.00 55.97 55.25 2bze s LYS 416 Cb 0.37 0.23 -0.01 0.00 0.00 0.00 0.00 37.83 38.42 2bze s LYS 416 CO -0.33 -0.13 0.10 0.20 0.00 0.00 0.00 175.35 175.18 2bze s GLY 417 N -2.86 0.18 0.46 0.59 0.00 0.13 -4.58 107.32 101.24 2bze s GLY 417 Ca 0.06 -0.58 -0.08 0.00 0.00 0.00 0.00 44.72 44.12 2bze s GLY 417 CO -0.10 -0.72 0.79 1.08 0.00 0.00 0.00 173.10 174.16 2bze s LEU 418 N -2.21 3.69 -0.51 0.66 2.01 -1.07 0.57 118.68 121.82 2bze s LEU 418 Ca -0.04 1.05 -0.21 0.00 0.01 0.00 0.00 54.13 54.94 2bze s LEU 418 Cb -0.00 -3.98 0.05 0.00 0.01 0.00 0.00 46.19 42.26 2bze s LEU 418 CO -0.05 -0.52 0.75 -1.58 1.01 0.00 0.00 176.35 175.96 2bze s GLN 419 N -4.37 3.23 0.11 1.70 2.00 -0.76 -2.35 119.66 119.20 2bze s GLN 419 Ca 0.50 -0.58 -0.13 0.00 -2.00 0.00 0.00 55.36 53.15 2bze s GLN 419 Cb -0.10 -4.06 -0.06 0.00 0.80 0.00 0.00 33.01 29.58 2bze s GLN 419 CO 0.39 -1.29 0.48 -0.51 -0.50 0.00 0.00 175.29 173.87 2bze s LEU 420 N 3.14 4.36 -0.05 3.68 1.43 0.74 -0.07 118.68 131.91 2bze s LEU 420 Ca 0.22 0.96 -0.00 0.00 -1.03 0.00 0.00 54.13 54.27 2bze s LEU 420 Cb -0.16 -3.09 0.03 0.00 0.03 0.00 0.00 46.19 43.00 2bze s LEU 420 CO 0.16 0.15 0.00 -0.60 0.23 0.00 0.00 176.35 176.29 2bze s ARG 421 N -1.85 0.45 -0.85 1.70 3.52 0.26 -0.91 118.95 121.27 2bze s ARG 421 Ca 0.35 0.10 -0.12 0.00 -0.13 0.00 0.00 55.73 55.92 2bze s ARG 421 Cb -0.15 -0.73 0.22 0.00 -1.56 0.00 0.00 34.95 32.73 2bze s ARG 421 CO 0.18 -0.22 0.79 -1.01 -0.81 0.00 0.00 175.30 174.24 2bze s HIS 422 N 1.52 3.81 0.00 5.12 3.76 -0.84 -0.24 115.29 128.42 2bze s HIS 422 Ca -0.02 -2.16 0.00 0.00 -0.15 0.00 0.00 55.06 52.72 2bze s HIS 422 Cb -0.13 -3.77 0.00 0.00 1.11 0.00 0.00 32.58 29.79 2bze s HIS 422 CO -0.03 -0.97 0.00 0.41 -0.85 0.00 0.00 174.74 173.30 2bze n GLY 423 N 3.73 1.64 2.87 -2.22 0.00 -1.26 -2.61 105.19 107.34 2bze n GLY 423 Ca 0.15 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 2bze n GLY 423 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2bze s ASN 424 N -4.00 4.46 -0.21 1.61 2.47 -1.25 -4.81 114.94 113.21 2bze s ASN 424 Ca 0.00 -3.60 -0.04 0.00 0.42 0.00 0.00 52.86 49.63 2bze s ASN 424 Cb 0.00 -1.53 0.08 0.00 -1.45 0.00 0.00 41.25 38.35 2bze s ASN 424 CO 0.00 -0.12 0.14 -0.62 -3.72 0.00 0.00 177.10 172.77 2bze s ASP 425 N -1.07 2.43 -0.37 -4.21 2.15 -1.07 -4.93 116.67 109.60 2bze s ASP 425 Ca 0.24 -0.72 -0.09 0.00 0.43 0.00 0.00 52.55 52.40 2bze s ASP 425 Cb -0.09 -0.11 0.04 0.00 -0.30 0.00 0.00 42.92 42.46 2bze s ASP 425 CO -0.13 -0.37 0.17 -1.58 -0.17 0.00 0.00 175.17 173.09 2bze s GLN 426 N 2.18 2.73 0.23 4.34 0.74 -1.26 -1.98 119.66 126.64 2bze s GLN 426 Ca 0.05 -1.15 0.01 0.00 0.05 0.00 0.00 55.36 54.32 2bze s GLN 426 Cb -0.16 -3.64 -0.05 0.00 1.10 0.00 0.00 33.01 30.26 2bze s GLN 426 CO -0.18 -0.71 0.10 1.03 -0.55 0.00 0.00 175.29 174.98 2bze s ARG 427 N 1.49 1.32 -0.13 1.67 0.52 -0.09 -5.01 118.95 118.72 2bze s ARG 427 Ca 0.01 -1.70 -0.03 0.00 -0.52 0.00 0.00 55.73 53.48 2bze s ARG 427 Cb -0.20 -0.08 -0.03 0.00 0.52 0.00 0.00 34.95 35.16 2bze s ARG 427 CO 0.05 -0.32 -0.02 0.08 0.02 0.00 0.00 175.30 175.12 2bze s VAL 428 N -3.88 4.12 -0.01 3.52 1.01 -1.26 -0.19 120.40 123.71 2bze s VAL 428 Ca 0.37 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 62.10 2bze s VAL 428 Cb 0.07 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 2bze s VAL 428 CO 0.12 0.53 -0.12 -0.36 0.00 0.00 0.00 175.10 175.27 2bze s PHE 429 N -0.06 1.05 0.45 5.22 0.40 -0.99 -4.91 117.98 119.14 2bze s PHE 429 Ca 0.03 -0.21 -0.18 0.00 -0.60 0.00 0.00 56.93 55.97 2bze s PHE 429 Cb -0.13 -0.67 -0.09 0.00 0.51 0.00 0.00 43.02 42.64 2bze s PHE 429 CO 0.02 -0.01 0.93 1.03 0.70 0.00 0.00 175.22 177.88 2bze s ARG 430 N -0.34 4.06 0.55 0.44 3.00 -1.26 -2.59 118.95 122.81 2bze s ARG 430 Ca 0.04 0.96 0.22 0.00 0.00 0.00 0.00 55.73 56.95 2bze s ARG 430 Cb -0.05 -2.21 1.45 0.00 0.00 0.00 0.00 34.95 34.15 2bze s ARG 430 CO -0.00 -0.10 2.13 -0.07 0.00 0.00 0.00 175.30 177.26 2bze h LEU 431 N 1.52 0.00 -1.74 2.53 4.07 -1.98 -1.83 115.31 117.88 2bze h LEU 431 Ca -0.48 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.48 2bze h LEU 431 Cb 1.18 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.92 2bze h LEU 431 CO 0.62 0.00 -0.01 1.05 -1.08 0.00 0.00 178.44 179.02 2bze h GLU 432 N 0.00 0.00 -0.02 1.13 4.11 -1.92 -2.34 114.58 115.54 2bze h GLU 432 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.49 2bze h GLU 432 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2bze h GLU 432 CO -0.00 0.01 0.00 1.19 0.07 0.00 0.00 179.01 180.27 2bze n PHE 433 N -3.10 0.00 -2.94 2.06 3.72 -0.69 -4.88 117.46 111.63 2bze n PHE 433 Ca -0.00 -0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.99 2bze n PHE 433 Cb 0.26 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.76 2bze n PHE 433 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2bze s VAL 434 N -2.00 4.95 0.39 -4.37 1.01 -0.88 -2.58 120.40 116.92 2bze s VAL 434 Ca 0.36 1.65 -0.22 0.00 0.00 0.00 0.00 61.98 63.77 2bze s VAL 434 Cb 0.21 -4.13 -0.10 0.00 0.00 0.00 0.00 36.38 32.35 2bze s VAL 434 CO 0.33 0.24 0.92 -0.44 0.00 0.00 0.00 175.10 176.15 2bze s SER 435 N 0.73 7.02 -0.34 3.32 0.01 0.64 -4.19 113.70 120.89 2bze s SER 435 Ca 0.42 1.68 0.08 0.00 1.31 0.00 0.00 55.95 59.44 2bze s SER 435 Cb -0.19 -2.53 0.64 0.00 0.21 0.00 0.00 66.02 64.15 2bze s SER 435 CO 0.22 -0.27 1.72 0.59 0.41 0.00 0.00 173.24 175.91 2bze n ASN 436 N -0.30 3.81 -5.00 2.44 3.02 -1.26 -3.97 115.26 113.99 2bze n ASN 436 Ca 0.05 -3.47 -0.18 0.00 -0.03 0.00 0.00 54.58 50.96 2bze n ASN 436 Cb 0.53 -0.73 0.01 0.00 -0.61 0.00 0.00 39.78 38.98 2bze n ASN 436 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2bze s GLN 437 N -3.14 2.82 0.36 3.52 -1.52 -1.26 -5.00 119.66 115.44 2bze s GLN 437 Ca 0.52 -1.13 -0.10 0.00 -1.95 0.00 0.00 55.36 52.70 2bze s GLN 437 Cb 0.44 -2.72 -0.07 0.00 -0.22 0.00 0.00 33.01 30.44 2bze s GLN 437 CO 0.09 -0.31 0.72 -1.21 -0.25 0.00 0.00 175.29 174.33 2bze s GLU 438 N -4.40 3.80 0.37 2.91 0.41 -1.26 -4.90 118.70 115.63 2bze s GLU 438 Ca 0.54 0.42 -0.22 0.00 -0.41 0.00 0.00 54.97 55.31 2bze s GLU 438 Cb -0.10 -2.45 -0.10 0.00 -1.78 0.00 0.00 34.13 29.70 2bze s GLU 438 CO 0.34 0.05 0.91 -0.06 -0.49 0.00 0.00 175.26 176.01 2bze s PHE 439 N -2.23 3.46 0.52 1.61 0.08 -1.26 -5.07 117.98 115.08 2bze s PHE 439 Ca 0.50 1.61 0.07 0.00 0.12 0.00 0.00 56.93 59.24 2bze s PHE 439 Cb -0.10 -2.83 0.03 0.00 -0.57 0.00 0.00 43.02 39.55 2bze s PHE 439 CO 0.28 0.04 0.46 0.95 -0.10 0.00 0.00 175.22 176.85 2bze s THR 440 N -1.95 1.94 0.24 0.64 -4.23 -1.26 -4.87 115.64 106.15 2bze s THR 440 Ca 0.56 -1.38 -0.07 0.00 -1.18 0.00 0.00 61.69 59.63 2bze s THR 440 Cb -0.13 -2.32 0.21 0.00 1.34 0.00 0.00 72.50 71.61 2bze s THR 440 CO 0.17 0.00 1.86 1.05 -0.54 0.00 0.00 174.62 177.16 2bze h GLU 441 N 0.71 1.26 -0.41 3.99 4.11 -1.97 -0.98 114.58 121.28 2bze h GLU 441 Ca -0.36 -0.14 0.00 0.00 0.07 0.00 0.00 59.36 58.92 2bze h GLU 441 Cb 1.29 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 2bze h GLU 441 CO 0.55 0.91 0.26 0.77 0.07 0.00 0.00 179.01 181.57 2bze h SER 442 N 1.26 0.49 -0.42 3.06 0.02 -1.99 0.79 113.55 116.77 2bze h SER 442 Ca 0.32 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.19 2bze h SER 442 Cb 0.02 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 2bze h SER 442 CO -0.05 0.38 0.10 -0.33 -1.14 0.00 0.00 176.83 175.79 2bze h GLU 443 N 0.55 0.67 -0.47 3.45 4.39 -1.86 -1.05 114.58 120.26 2bze h GLU 443 Ca 0.15 -0.17 0.02 0.00 0.34 0.00 0.00 59.36 59.71 2bze h GLU 443 Cb -0.02 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 2bze h GLU 443 CO -0.03 0.69 0.27 0.35 -1.16 0.00 0.00 179.01 179.13 2bze h PHE 444 N 0.54 0.51 -0.20 4.33 3.04 -0.76 -2.23 116.94 122.17 2bze h PHE 444 Ca 0.13 0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.14 2bze h PHE 444 Cb 0.32 -0.16 -0.04 0.00 2.56 0.00 0.00 35.95 38.64 2bze h PHE 444 CO 0.02 0.28 -0.06 0.52 -2.02 0.00 0.00 178.31 177.06 2bze h MET 445 N 0.54 -0.01 -0.69 1.11 2.86 -0.47 0.13 114.93 118.40 2bze h MET 445 Ca 0.19 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.96 2bze h MET 445 Cb 0.03 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.61 2bze h MET 445 CO -0.10 -0.01 0.24 0.87 1.06 0.00 0.00 176.91 178.98 2bze h LYS 446 N -0.01 0.38 -0.19 1.72 1.57 -0.83 0.13 116.57 119.34 2bze h LYS 446 Ca 0.10 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 2bze h LYS 446 Cb 0.16 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 2bze h LYS 446 CO -0.21 0.25 -0.17 2.35 -0.57 0.00 0.00 179.45 181.10 2bze h TRP 447 N 0.39 0.53 -0.68 -1.35 7.01 -0.97 -2.10 115.95 118.78 2bze h TRP 447 Ca 0.37 -0.16 0.15 0.00 2.11 0.00 0.00 58.89 61.36 2bze h TRP 447 Cb 0.54 -0.11 -0.11 0.00 -2.10 0.00 0.00 29.16 27.38 2bze h TRP 447 CO -0.19 0.80 0.07 -0.22 -2.79 0.00 0.00 178.44 176.12 2bze h LYS 448 N 0.11 0.17 -0.36 2.65 1.63 0.24 0.18 116.57 121.19 2bze h LYS 448 Ca 0.03 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.77 2bze h LYS 448 Cb 0.71 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.28 2bze h LYS 448 CO 0.04 0.11 0.02 0.93 -3.45 0.00 0.00 179.45 177.10 2bze h GLU 449 N 0.17 0.55 -0.16 1.90 5.08 -0.60 0.15 114.58 121.68 2bze h GLU 449 Ca 0.37 -0.12 -0.10 0.00 -1.00 0.00 0.00 59.36 58.51 2bze h GLU 449 Cb 0.62 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2bze h GLU 449 CO -0.54 0.57 -0.30 0.00 -1.00 0.00 0.00 179.01 177.73 2bze h ALA 450 N 1.49 0.25 -0.55 3.43 0.00 -0.47 0.17 119.26 123.58 2bze h ALA 450 Ca 0.12 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 2bze h ALA 450 Cb 0.32 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2bze h ALA 450 CO 0.01 0.28 -0.10 0.52 0.00 0.00 0.00 179.25 179.96 2bze h MET 451 N 0.12 1.03 -0.30 0.00 2.86 -0.33 0.06 114.93 118.37 2bze h MET 451 Ca 0.01 -0.37 -0.05 0.00 -2.06 0.00 0.00 59.70 57.23 2bze h MET 451 Cb 0.89 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 2bze h MET 451 CO 0.07 1.06 0.00 0.35 1.06 0.00 0.00 176.91 179.45 2bze h PHE 452 N 0.92 0.57 -0.18 -0.22 3.04 -0.62 0.36 116.94 120.82 2bze h PHE 452 Ca 0.14 -0.10 -0.06 0.00 3.98 0.00 0.00 57.97 61.94 2bze h PHE 452 Cb 0.66 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 39.01 2bze h PHE 452 CO 0.04 0.66 -0.15 1.03 -2.02 0.00 0.00 178.31 177.88 2bze h SER 453 N 0.32 0.28 0.66 0.41 0.87 -0.51 -1.14 113.55 114.43 2bze h SER 453 Ca 0.09 -0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.50 2bze h SER 453 Cb 0.43 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 2bze h SER 453 CO 0.01 0.45 -0.38 0.00 -0.53 0.00 0.00 176.83 176.39 2bze h ALA 454 N 1.58 1.10 0.00 6.23 0.00 -0.56 -3.46 119.26 124.15 2bze h ALA 454 Ca 0.05 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2bze h ALA 454 Cb 0.43 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2bze h ALA 454 CO 0.03 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.17 2bze n GLY 455 N -0.01 0.54 3.94 0.00 0.00 -0.30 -4.92 105.19 104.44 2bze n GLY 455 Ca -0.01 -0.84 -0.26 0.00 0.00 0.00 0.00 46.02 44.91 2bze n GLY 455 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2bze s MET 456 N -1.72 3.50 0.13 1.61 -1.94 0.11 -5.00 119.30 115.99 2bze s MET 456 Ca 0.00 -0.42 -0.30 0.00 -1.71 0.00 0.00 55.69 53.26 2bze s MET 456 Cb 0.00 -2.82 -0.06 0.00 2.01 0.00 0.00 34.83 33.95 2bze s MET 456 CO 0.00 0.37 0.94 -1.14 -0.01 0.00 0.00 175.02 175.18 2bze s GLN 457 N -3.60 4.70 0.50 2.03 0.74 -1.26 -4.31 119.66 118.46 2bze s GLN 457 Ca 0.38 1.42 -0.21 0.00 0.05 0.00 0.00 55.36 57.00 2bze s GLN 457 Cb -0.10 -3.36 -0.07 0.00 1.10 0.00 0.00 33.01 30.58 2bze s GLN 457 CO 0.30 0.27 1.11 -0.51 -0.55 0.00 0.00 175.29 175.91 2bze s LEU 458 N -0.20 3.87 0.79 3.68 2.01 -1.26 -5.01 118.68 122.56 2bze s LEU 458 Ca 0.45 2.14 -0.11 0.00 0.01 0.00 0.00 54.13 56.62 2bze s LEU 458 Cb -0.23 -4.46 0.06 0.00 0.01 0.00 0.00 46.19 41.57 2bze s LEU 458 CO 0.30 -0.98 1.09 -2.16 1.01 0.00 0.00 176.35 175.60 2bze s PRO 459 N -3.06 2.16 0.26 1.29 0.05 -1.26 -4.80 135.00 129.63 2bze s PRO 459 Ca 0.68 0.88 0.01 0.00 0.05 0.00 0.00 61.00 62.62 2bze s PRO 459 Cb -0.23 -1.91 -0.04 0.00 0.05 0.00 0.00 34.50 32.38 2bze s PRO 459 CO 0.27 -1.63 0.44 0.95 0.05 0.00 0.00 177.00 177.08 2bze s THR 460 N -3.02 5.18 0.32 1.26 -4.23 -1.26 -0.57 115.64 113.31 2bze s THR 460 Ca 0.61 -0.54 0.33 0.00 -1.18 0.00 0.00 61.69 60.91 2bze s THR 460 Cb -0.16 -3.81 0.36 0.00 1.34 0.00 0.00 72.50 70.23 2bze s THR 460 CO 0.55 -0.35 2.08 -0.07 -0.54 0.00 0.00 174.62 176.29 2bze h LEU 461 N 1.36 0.00 -0.22 4.79 -0.00 -1.65 -0.94 115.31 118.64 2bze h LEU 461 Ca -0.50 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.33 2bze h LEU 461 Cb 1.21 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.86 2bze h LEU 461 CO 0.64 0.06 -0.08 -0.78 -0.00 0.00 0.00 178.44 178.29 2bze h ASP 462 N 0.00 0.45 0.18 -0.43 1.82 -1.85 -1.45 116.42 115.14 2bze h ASP 462 Ca -0.00 -0.38 -0.21 0.00 -0.39 0.00 0.00 57.03 56.04 2bze h ASP 462 Cb 0.38 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.27 2bze h ASP 462 CO 0.01 0.73 -0.84 1.05 -1.61 0.00 0.00 179.24 178.59 2bze h GLU 463 N 0.17 0.51 -0.85 0.28 4.11 -1.64 -1.48 114.58 115.67 2bze h GLU 463 Ca 0.05 -0.47 0.07 0.00 0.07 0.00 0.00 59.36 59.09 2bze h GLU 463 Cb 0.55 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.85 2bze h GLU 463 CO 0.03 1.10 0.52 0.82 0.07 0.00 0.00 179.01 181.55 2bze h ILE 464 N 0.33 1.00 -0.25 -1.06 1.08 -1.21 0.49 117.51 117.89 2bze h ILE 464 Ca -0.06 -0.32 -0.09 0.00 -0.39 0.00 0.00 64.86 64.00 2bze h ILE 464 Cb 1.45 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.19 2bze h ILE 464 CO 0.15 0.17 -0.24 -1.13 -0.69 0.00 0.00 178.15 176.41 2bze h ASN 465 N 0.92 0.47 0.47 1.72 -0.00 -0.60 0.51 115.58 119.06 2bze h ASN 465 Ca 0.38 -0.15 -0.21 0.00 -0.00 0.00 0.00 56.30 56.32 2bze h ASN 465 Cb 0.23 -0.13 -0.01 0.00 -0.00 0.00 0.00 38.32 38.42 2bze h ASN 465 CO -0.19 0.71 -0.88 0.11 -0.00 0.00 0.00 177.43 177.17 2bze h LYS 466 N 0.42 0.29 -0.07 6.67 1.79 -0.32 -2.06 116.57 123.29 2bze h LYS 466 Ca 0.06 -0.30 -0.05 0.00 -2.18 0.00 0.00 60.65 58.18 2bze h LYS 466 Cb 0.64 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.38 2bze h LYS 466 CO 0.05 1.00 -0.14 0.87 -1.08 0.00 0.00 179.45 180.15 2bze h LYS 467 N 0.17 0.22 -0.46 3.15 1.79 -0.41 -0.69 116.57 120.33 2bze h LYS 467 Ca -0.05 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.28 2bze h LYS 467 Cb 1.51 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 32.15 2bze h LYS 467 CO 0.14 0.73 0.30 1.05 -1.08 0.00 0.00 179.45 180.60 2bze h GLU 468 N -0.26 0.61 -0.35 3.15 4.11 -0.96 -0.01 114.58 120.87 2bze h GLU 468 Ca 0.00 -0.04 -0.02 0.00 0.07 0.00 0.00 59.36 59.38 2bze h GLU 468 Cb 0.73 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2bze h GLU 468 CO 0.03 0.41 0.15 1.25 0.07 0.00 0.00 179.01 180.92 2bze h LEU 469 N 0.63 0.47 -1.18 3.06 7.12 -1.25 -2.40 115.31 121.76 2bze h LEU 469 Ca 0.17 -0.15 -0.08 0.00 0.13 0.00 0.00 57.88 57.95 2bze h LEU 469 Cb -0.07 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 39.93 2bze h LEU 469 CO -0.04 0.50 -0.37 -1.28 -0.13 0.00 0.00 178.44 177.12 2bze h SER 470 N 0.42 0.00 -0.28 1.25 0.87 0.37 -2.26 113.55 113.92 2bze h SER 470 Ca 0.12 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.65 2bze h SER 470 Cb 0.16 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2bze h SER 470 CO -0.01 0.37 0.06 0.40 -0.53 0.00 0.00 176.83 177.12 2bze h ILE 471 N 0.00 1.22 0.00 2.23 1.08 -0.70 -1.11 117.51 120.24 2bze h ILE 471 Ca -0.00 -0.75 -0.10 0.00 -0.39 0.00 0.00 64.86 63.62 2bze h ILE 471 Cb 0.75 1.19 -0.01 0.00 -3.07 0.00 0.00 36.82 35.67 2bze h ILE 471 CO 0.05 0.24 -0.47 0.07 -0.69 0.00 0.00 178.15 177.35 2bze h LYS 472 N 0.27 0.00 -0.11 2.37 5.09 -1.11 -1.03 116.57 122.05 2bze h LYS 472 Ca 0.09 0.00 -0.12 0.00 0.09 0.00 0.00 60.65 60.70 2bze h LYS 472 Cb 0.31 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.63 2bze h LYS 472 CO 0.00 0.47 -0.48 0.93 -2.09 0.00 0.00 179.45 178.28 2bze h GLU 473 N 0.00 0.28 -0.02 0.07 4.39 -1.19 -1.91 114.58 116.20 2bze h GLU 473 Ca -0.00 -0.15 -0.09 0.00 0.34 0.00 0.00 59.36 59.45 2bze h GLU 473 Cb 0.90 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.57 2bze h GLU 473 CO 0.06 0.70 -0.36 0.00 -1.16 0.00 0.00 179.01 178.26 2bze h ALA 474 N 1.27 0.07 0.00 3.43 0.00 -0.51 -3.28 119.26 120.24 2bze h ALA 474 Ca 0.01 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2bze h ALA 474 Cb 0.94 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2bze h ALA 474 CO 0.08 0.18 -0.04 1.37 0.00 0.00 0.00 179.25 180.83 2bze h LEU 475 N -0.32 0.00 0.00 0.00 8.10 -1.25 -3.52 115.31 118.33 2bze h LEU 475 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.95 2bze h LEU 475 Cb 1.07 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.29 2bze h LEU 475 CO 0.07 0.04 0.00 -3.20 -4.11 0.00 0.00 178.44 171.24