#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 -2.79 3.63 3.03 0.00 -1.26 -4.79 105.19 103.00 2bze n GLY -20 Ca 0.00 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 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 6.11 0.00 1.61 0.01 -1.26 -3.56 113.70 116.62 2bze s SER -19 Ca 0.00 1.88 0.00 0.00 1.31 0.00 0.00 55.95 59.14 2bze s SER -19 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2bze s SER -19 CO 0.00 -1.44 0.00 -1.20 0.41 0.00 0.00 173.24 171.01 2bze n SER -18 N 9.25 0.00 -2.13 2.44 7.64 -1.26 -4.82 113.62 124.74 2bze n SER -18 Ca 0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2bze n SER -18 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 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 0.00 -4.12 -2.22 1.43 -0.00 -1.23 -4.83 115.22 104.25 2bze n HIS -17 Ca 0.00 2.45 -0.40 0.00 0.46 0.00 0.00 57.72 60.23 2bze n HIS -17 Cb 0.00 -3.57 -0.03 0.00 -0.12 0.00 0.00 29.99 26.27 2bze n HIS -17 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2bze s HIS -16 N -0.51 1.92 -0.12 1.57 0.09 -1.26 -4.71 115.29 112.27 2bze s HIS -16 Ca 0.00 0.51 0.13 0.00 -0.00 0.00 0.00 55.06 55.70 2bze s HIS -16 Cb 0.00 -4.28 -0.24 0.00 -0.00 0.00 0.00 32.58 28.07 2bze s HIS -16 CO 0.00 -2.23 0.36 0.72 -0.00 0.00 0.00 174.74 173.60 2bze n HIS -15 N 11.28 0.58 -4.37 1.40 8.25 -1.26 -4.95 115.22 126.15 2bze n HIS -15 Ca 0.15 0.20 -0.19 0.00 -0.26 0.00 0.00 57.72 57.61 2bze n HIS -15 Cb 0.51 -1.10 -0.10 0.00 1.12 0.00 0.00 29.99 30.41 2bze n HIS -15 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2bze s HIS -14 N -2.55 1.76 -0.03 4.41 0.00 -1.26 -5.12 115.29 112.51 2bze s HIS -14 Ca -0.10 -0.69 -0.25 0.00 -3.00 0.00 0.00 55.06 51.02 2bze s HIS -14 Cb 0.07 -0.94 -0.04 0.00 -4.00 0.00 0.00 32.58 27.67 2bze s HIS -14 CO 0.81 0.24 0.77 -1.58 -1.00 0.00 0.00 174.74 173.98 2bze s HIS -13 N -3.08 3.63 -0.48 0.38 5.65 -1.26 -5.00 115.29 115.13 2bze s HIS -13 Ca 0.26 1.39 -0.25 0.00 0.25 0.00 0.00 55.06 56.71 2bze s HIS -13 Cb 0.02 -2.86 0.03 0.00 -1.18 0.00 0.00 32.58 28.59 2bze s HIS -13 CO 0.09 0.12 0.92 -1.01 -0.65 0.00 0.00 174.74 174.21 2bze s HIS -12 N 0.61 2.90 -0.03 3.88 4.02 -1.26 -4.57 115.29 120.84 2bze s HIS -12 Ca 0.40 0.29 -0.02 0.00 1.02 0.00 0.00 55.06 56.75 2bze s HIS -12 Cb -0.19 -3.97 0.01 0.00 -1.02 0.00 0.00 32.58 27.40 2bze s HIS -12 CO 0.21 -1.15 0.04 0.45 1.02 0.00 0.00 174.74 175.31 2bze n SER -11 N 7.20 -2.34 -3.85 1.40 2.88 -1.26 -5.08 113.62 112.57 2bze n SER -11 Ca 0.05 0.34 -0.27 0.00 -1.33 0.00 0.00 58.87 57.66 2bze n SER -11 Cb 0.48 -1.94 -0.17 0.00 -0.75 0.00 0.00 64.21 61.83 2bze n SER -11 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2bze s SER -10 N -0.14 2.61 0.00 -3.46 0.01 -1.26 -5.06 113.70 106.39 2bze s SER -10 Ca -0.04 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 56.65 2bze s SER -10 Cb 0.00 -0.79 0.00 0.00 0.21 0.00 0.00 66.02 65.44 2bze s SER -10 CO 0.11 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.18 2bze n GLY -9 N 4.94 0.52 3.55 3.44 0.00 -1.26 -5.02 105.19 111.36 2bze n GLY -9 Ca -0.11 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 2bze n GLY -9 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bze s LEU -8 N 0.00 3.18 -0.10 0.99 1.43 -1.26 -4.99 118.68 117.92 2bze s LEU -8 Ca 0.00 -0.34 -0.15 0.00 -1.03 0.00 0.00 54.13 52.61 2bze s LEU -8 Cb 0.00 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.61 2bze s LEU -8 CO 0.00 -1.90 0.37 0.54 0.23 0.00 0.00 176.35 175.58 2bze s VAL -7 N 6.15 5.21 0.00 -1.59 0.11 -1.26 -5.09 120.40 123.92 2bze s VAL -7 Ca 0.39 0.72 0.00 0.00 -2.93 0.00 0.00 61.98 60.16 2bze s VAL -7 Cb -0.09 -3.69 0.00 0.00 -1.53 0.00 0.00 36.38 31.07 2bze s VAL -7 CO 0.16 0.43 0.00 -0.81 -3.33 0.00 0.00 175.10 171.55 2bze n PRO -6 N 3.05 0.36 -0.13 1.54 -0.04 -1.26 -4.90 135.00 133.62 2bze n PRO -6 Ca -0.11 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.34 2bze n PRO -6 Cb 0.52 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.02 2bze n PRO -6 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2bze n ARG -5 N -0.54 1.36 0.00 0.54 1.74 -1.26 -3.81 116.66 114.70 2bze n ARG -5 Ca 0.00 -0.40 0.13 0.00 -0.77 0.00 0.00 57.85 56.81 2bze n ARG -5 Cb 0.00 -1.42 0.60 0.00 -1.02 0.00 0.00 32.46 30.62 2bze n ARG -5 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bze n GLY -4 N 0.16 -1.28 0.27 -0.13 0.00 -1.26 -2.30 105.19 100.65 2bze n GLY -4 Ca 0.05 -0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.12 2bze n GLY -4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2bze h SER -3 N 0.00 0.00 -2.82 1.61 0.02 -1.96 -3.43 113.55 106.97 2bze h SER -3 Ca 0.00 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.29 2bze h SER -3 Cb 0.36 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.82 2bze h SER -3 CO 0.00 0.08 -0.51 -1.00 -1.14 0.00 0.00 176.83 174.26 2bze s HIS -2 N -3.81 3.49 0.10 3.45 4.02 -0.97 -5.04 115.29 116.53 2bze s HIS -2 Ca -0.00 0.40 0.03 0.00 1.02 0.00 0.00 55.06 56.51 2bze s HIS -2 Cb 0.10 -1.87 -0.04 0.00 -1.02 0.00 0.00 32.58 29.76 2bze s HIS -2 CO 0.56 0.66 0.13 1.41 1.02 0.00 0.00 174.74 178.53 2bze s MET -1 N -1.35 3.05 -0.06 1.40 1.75 -1.26 -0.86 119.30 121.96 2bze s MET -1 Ca 0.19 -0.67 -0.30 0.00 -1.25 0.00 0.00 55.69 53.67 2bze s MET -1 Cb -0.12 -2.79 -0.06 0.00 2.84 0.00 0.00 34.83 34.70 2bze s MET -1 CO 0.09 0.55 1.67 0.54 -0.65 0.00 0.00 175.02 177.23 2bze s VAL 345 N -1.51 3.56 0.00 10.11 0.11 -0.38 -4.76 120.40 127.52 2bze s VAL 345 Ca 0.31 0.67 0.00 0.00 -2.93 0.00 0.00 61.98 60.03 2bze s VAL 345 Cb -0.12 -3.44 0.00 0.00 -1.53 0.00 0.00 36.38 31.29 2bze s VAL 345 CO 0.24 -0.07 0.00 -1.20 -3.33 0.00 0.00 175.10 170.74 2bze n SER 346 N 7.25 2.64 -4.56 3.54 7.64 -1.26 -4.87 113.62 124.00 2bze n SER 346 Ca 0.18 -0.08 -0.34 0.00 1.01 0.00 0.00 58.87 59.64 2bze n SER 346 Cb 0.43 0.69 -0.12 0.00 -1.01 0.00 0.00 64.21 64.20 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 -1.91 3.10 0.57 -3.43 1.02 -1.26 -4.98 118.68 111.78 2bze s LEU 347 Ca 0.00 -0.05 0.28 0.00 0.02 0.00 0.00 54.13 54.38 2bze s LEU 347 Cb 0.00 -1.67 1.49 0.00 0.02 0.00 0.00 46.19 46.04 2bze s LEU 347 CO 0.00 0.36 1.97 -0.65 0.02 0.00 0.00 176.35 178.05 2bze h PRO 348 N 5.29 0.00 -0.35 1.29 0.11 -1.93 -1.50 132.00 134.91 2bze h PRO 348 Ca -0.48 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 2bze h PRO 348 Cb 1.17 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2bze h PRO 348 CO 0.52 0.00 -0.08 1.05 -0.21 0.00 0.00 178.00 179.28 2bze h GLU 349 N 0.00 0.58 -0.06 1.05 4.11 -1.94 0.27 114.58 118.59 2bze h GLU 349 Ca 0.21 -0.16 -0.22 0.00 0.07 0.00 0.00 59.36 59.26 2bze h GLU 349 Cb 1.00 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2bze h GLU 349 CO -0.00 0.67 -0.85 0.93 0.07 0.00 0.00 179.01 179.82 2bze h GLU 350 N 0.54 0.55 0.00 1.06 5.08 -1.70 -1.08 114.58 119.03 2bze h GLU 350 Ca 0.10 -0.50 -0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2bze h GLU 350 Cb 0.47 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 2bze h GLU 350 CO 0.03 1.13 -0.01 1.25 -1.00 0.00 0.00 179.01 180.41 2bze h LEU 351 N 0.35 0.00 -0.01 1.33 5.85 -1.18 -2.84 115.31 118.81 2bze h LEU 351 Ca -0.06 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.46 2bze h LEU 351 Cb 1.47 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.47 2bze h LEU 351 CO 0.16 0.01 -0.91 0.78 -0.34 0.00 0.00 178.44 178.13 2bze h ASN 352 N 0.00 0.00 0.26 1.25 2.35 0.08 0.11 115.58 119.63 2bze h ASN 352 Ca -0.00 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.58 2bze h ASN 352 Cb 0.81 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.17 2bze h ASN 352 CO 0.00 0.91 -0.69 0.08 -1.65 0.00 0.00 177.43 176.08 2bze h ARG 353 N 0.00 0.38 -0.01 0.81 0.11 -1.06 -2.98 114.38 111.64 2bze h ARG 353 Ca -0.01 -0.30 0.00 0.00 0.10 0.00 0.00 59.98 59.77 2bze h ARG 353 Cb 1.70 0.06 0.00 0.00 1.11 0.00 0.00 29.97 32.84 2bze h ARG 353 CO 0.12 0.93 -0.16 1.33 0.10 0.00 0.00 179.97 182.29 2bze n VAL 354 N -3.85 0.00 -1.88 0.08 0.24 -1.09 -4.62 118.33 107.22 2bze n VAL 354 Ca -0.04 -0.13 -0.41 0.00 -2.04 0.00 0.00 64.34 61.73 2bze n VAL 354 Cb 0.68 0.25 -0.00 0.00 -1.47 0.00 0.00 33.84 33.30 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 -2.39 4.10 -0.05 7.34 3.52 0.36 -3.03 118.95 128.80 2bze s ARG 355 Ca 0.29 2.45 0.05 0.00 -0.13 0.00 0.00 55.73 58.39 2bze s ARG 355 Cb 0.20 -2.94 -0.02 0.00 -1.56 0.00 0.00 34.95 30.63 2bze s ARG 355 CO 0.47 -0.50 -0.19 -0.51 -0.81 0.00 0.00 175.30 173.76 2bze s LEU 356 N -2.14 2.44 0.38 -0.88 1.43 0.29 -4.95 118.68 115.26 2bze s LEU 356 Ca 0.53 -0.33 0.08 0.00 -1.03 0.00 0.00 54.13 53.38 2bze s LEU 356 Cb -0.44 -1.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 2bze s LEU 356 CO 0.59 0.31 0.12 -0.94 0.23 0.00 0.00 176.35 176.67 2bze s SER 357 N -0.52 4.38 0.53 2.29 1.04 -1.26 -2.76 113.70 117.40 2bze s SER 357 Ca 0.07 -1.02 0.18 0.00 0.48 0.00 0.00 55.95 55.67 2bze s SER 357 Cb -0.11 -0.53 1.35 0.00 0.10 0.00 0.00 66.02 66.83 2bze s SER 357 CO 0.01 -0.42 2.16 0.08 0.98 0.00 0.00 173.24 176.05 2bze h ARG 358 N 1.56 0.00 -1.01 4.02 0.11 -1.61 -1.98 114.38 115.47 2bze h ARG 358 Ca -0.43 0.00 0.02 0.00 0.10 0.00 0.00 59.98 59.67 2bze h ARG 358 Cb 1.25 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.28 2bze h ARG 358 CO 0.68 0.00 0.67 1.25 0.10 0.00 0.00 179.97 182.67 2bze h HIS 359 N 0.00 1.26 -0.01 4.08 2.76 -1.92 0.20 115.15 121.52 2bze h HIS 359 Ca 0.01 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.14 2bze h HIS 359 Cb 0.04 -0.42 0.00 0.00 1.55 0.00 0.00 27.41 28.58 2bze h HIS 359 CO 0.00 0.78 -0.25 0.87 -1.30 0.00 0.00 177.93 178.03 2bze h LYS 360 N 1.34 0.19 -0.74 5.26 1.57 -1.77 -1.77 116.57 120.66 2bze h LYS 360 Ca 0.38 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 2bze h LYS 360 Cb -0.12 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 2bze h LYS 360 CO -0.09 0.90 0.43 -0.07 -0.57 0.00 0.00 179.45 180.04 2bze h LEU 361 N -0.44 0.90 -0.95 2.94 3.38 -1.23 0.44 115.31 120.36 2bze h LEU 361 Ca -0.03 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 2bze h LEU 361 Cb 0.97 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 2bze h LEU 361 CO 0.05 0.72 0.17 -0.08 0.09 0.00 0.00 178.44 179.38 2bze h GLU 362 N 1.01 0.94 0.00 1.13 4.81 -0.61 0.18 114.58 122.03 2bze h GLU 362 Ca 0.26 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2bze h GLU 362 Cb -0.00 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.24 2bze h GLU 362 CO -0.05 0.82 -0.33 0.07 -0.73 0.00 0.00 179.01 178.80 2bze h ARG 363 N 0.90 0.00 -0.20 1.92 -0.00 -0.55 -2.26 114.38 114.19 2bze h ARG 363 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.18 2bze h ARG 363 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.26 2bze h ARG 363 CO -0.00 0.00 0.00 0.91 -0.00 0.00 0.00 179.97 180.88 2bze n TRP 364 N -2.96 0.24 0.17 4.08 8.01 0.07 -3.12 117.44 123.93 2bze n TRP 364 Ca 0.03 -0.12 0.09 0.00 -1.31 0.00 0.00 57.50 56.18 2bze n TRP 364 Cb 0.54 0.00 0.09 0.00 -2.01 0.00 0.00 31.31 29.92 2bze n TRP 364 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2bze h HIS 366 N 0.00 0.22 -3.35 0.00 -0.00 -1.58 -3.39 115.15 107.05 2bze h HIS 366 Ca -0.01 -0.12 -0.67 0.00 -0.00 0.00 0.00 60.37 59.57 2bze h HIS 366 Cb 1.14 -0.03 -0.38 0.00 -0.00 0.00 0.00 27.41 28.14 2bze h HIS 366 CO 0.00 0.93 -0.41 0.00 -0.00 0.00 0.00 177.93 178.44 2bze s MET 367 N -3.09 2.57 -0.92 5.26 0.00 -1.18 -5.04 119.30 116.89 2bze s MET 367 Ca -0.16 -2.91 -0.15 0.00 0.00 0.00 0.00 55.69 52.46 2bze s MET 367 Cb 0.01 -3.62 0.19 0.00 0.00 0.00 0.00 34.83 31.41 2bze s MET 367 CO 0.73 -1.21 0.98 -1.25 0.00 0.00 0.00 175.02 174.28 2bze s PRO 368 N -0.73 3.70 -0.32 3.16 0.05 -0.55 -4.49 135.00 135.81 2bze s PRO 368 Ca 0.21 -2.30 0.08 0.00 0.05 0.00 0.00 61.00 59.04 2bze s PRO 368 Cb -0.15 -4.66 0.46 0.00 0.05 0.00 0.00 34.50 30.19 2bze s PRO 368 CO -0.08 -1.49 1.16 1.97 0.05 0.00 0.00 177.00 178.61 2bze n PHE 369 N 4.87 2.73 -0.06 0.56 -1.74 -1.26 -4.84 117.46 117.72 2bze n PHE 369 Ca 0.20 -2.44 -0.09 0.00 -0.56 0.00 0.00 57.45 54.56 2bze n PHE 369 Cb 0.47 -0.27 -0.15 0.00 1.52 0.00 0.00 39.48 41.05 2bze n PHE 369 CO 0.00 0.00 0.00 1.97 -0.56 0.00 0.00 176.76 178.17 2bze n PHE 370 N -0.63 0.54 -0.38 2.97 -1.74 -1.26 -3.95 117.46 113.00 2bze n PHE 370 Ca 0.39 0.20 0.30 0.00 -0.56 0.00 0.00 57.45 57.78 2bze n PHE 370 Cb 0.88 -1.10 0.57 0.00 1.52 0.00 0.00 39.48 41.35 2bze n PHE 370 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2bze h ALA 371 N 1.00 2.41 0.11 1.98 0.00 -1.96 0.81 119.26 123.62 2bze h ALA 371 Ca -0.41 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2bze h ALA 371 Cb 2.12 0.16 0.00 0.00 0.00 0.00 0.00 17.79 20.07 2bze h ALA 371 CO 0.06 -0.99 -0.05 -0.22 0.00 0.00 0.00 179.25 178.04 2bze h LYS 372 N 0.21 -0.14 -0.40 0.00 1.63 -1.96 -2.94 116.57 112.96 2bze h LYS 372 Ca 0.75 0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 60.48 2bze h LYS 372 Cb 2.10 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 33.74 2bze h LYS 372 CO -0.45 0.29 -0.08 1.15 -3.45 0.00 0.00 179.45 176.91 2bze h THR 373 N -0.64 1.25 0.00 1.00 2.02 -0.82 -2.83 112.91 112.89 2bze h THR 373 Ca -0.02 -1.08 -0.14 0.00 0.77 0.00 0.00 66.41 65.95 2bze h THR 373 Cb 0.50 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 2bze h THR 373 CO 0.03 0.37 -0.64 -0.37 0.37 0.00 0.00 175.52 175.27 2bze h VAL 374 N 0.64 1.15 -2.58 3.16 -1.51 0.39 -3.41 116.25 114.08 2bze h VAL 374 Ca 0.12 -2.51 -0.57 0.00 -1.23 0.00 0.00 66.70 62.50 2bze h VAL 374 Cb 0.52 2.49 -0.03 0.00 -2.13 0.00 0.00 31.29 32.15 2bze h VAL 374 CO 0.03 0.63 1.30 -0.89 -1.23 0.00 0.00 177.57 177.41 2bze s THR 375 N -2.98 3.43 0.00 7.19 2.01 -1.07 -1.02 115.64 123.20 2bze s THR 375 Ca 0.02 0.43 0.00 0.00 0.31 0.00 0.00 61.69 62.46 2bze s THR 375 Cb 0.09 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 69.00 2bze s THR 375 CO 0.76 -0.39 0.00 0.61 -0.69 0.00 0.00 174.62 174.91 2bze n GLY 376 N 5.46 1.85 3.98 4.40 0.00 -0.78 -4.99 105.19 115.12 2bze n GLY 376 Ca 0.23 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.89 2.21 0.08 0.00 0.08126.67 -0.39 117.98 243.74 2bze s PHE 378 Ca 0.60 -0.40 0.09 0.00 0.12 0.00 0.00 56.93 57.35 2bze s PHE 378 Cb -0.09 -1.28 -0.03 0.00 -0.57 0.00 0.00 43.02 41.05 2bze s PHE 378 CO 0.40 0.18 -0.24 0.54 -0.10 0.00 0.00 175.22 176.01 2bze s VAL 379 N -0.89 2.41 -0.65 -0.44 0.11 0.12 -0.54 120.40 120.51 2bze s VAL 379 Ca 0.11 -1.49 -0.21 0.00 -2.93 0.00 0.00 61.98 57.46 2bze s VAL 379 Cb -0.10 -2.02 0.08 0.00 -1.53 0.00 0.00 36.38 32.81 2bze s VAL 379 CO 0.03 0.23 0.90 -0.60 -3.33 0.00 0.00 175.10 172.33 2bze s ARG 380 N -1.67 3.11 -0.04 1.54 6.06 -1.11 -2.40 118.95 124.44 2bze s ARG 380 Ca 0.14 -1.01 0.03 0.00 -2.50 0.00 0.00 55.73 52.39 2bze s ARG 380 Cb -0.10 -4.26 -0.03 0.00 0.06 0.00 0.00 34.95 30.61 2bze s ARG 380 CO 0.05 -1.74 -0.09 -1.50 -2.50 0.00 0.00 175.30 169.52 2bze s ILE 381 N 3.62 3.50 0.09 4.11 1.10 -1.04 -0.84 121.20 131.75 2bze s ILE 381 Ca 0.19 -0.66 0.09 0.00 -0.51 0.00 0.00 60.65 59.76 2bze s ILE 381 Cb -0.19 -2.45 -0.04 0.00 0.15 0.00 0.00 42.46 39.94 2bze s ILE 381 CO 0.08 0.52 -0.22 -0.83 -2.11 0.00 0.00 174.94 172.39 2bze s GLY 382 N -1.01 1.60 -0.77 1.50 0.00 -1.13 -0.29 107.32 107.22 2bze s GLY 382 Ca 0.14 -1.34 0.03 0.00 0.00 0.00 0.00 44.72 43.55 2bze s GLY 382 CO 0.03 -1.29 0.62 0.29 0.00 0.00 0.00 173.10 172.76 2bze n ILE 383 N 1.11 2.19 -4.61 0.90 -5.35 0.16 -4.90 119.36 108.87 2bze n ILE 383 Ca -0.17 -5.00 0.00 0.00 -0.27 0.00 0.00 62.75 57.31 2bze n ILE 383 Cb 0.53 -2.23 0.00 0.00 -1.74 0.00 0.00 39.64 36.19 2bze n ILE 383 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2bze n GLY 384 N 1.93 1.14 2.74 3.28 0.00 -1.26 -4.65 105.19 108.37 2bze n GLY 384 Ca 0.22 -0.58 -0.18 0.00 0.00 0.00 0.00 46.02 45.47 2bze n GLY 384 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bze s ASN 385 N -4.00 0.65 -0.44 1.61 6.03 -1.26 -3.96 114.94 113.57 2bze s ASN 385 Ca 0.00 0.04 -0.15 0.00 -1.03 0.00 0.00 52.86 51.71 2bze s ASN 385 Cb 0.00 -0.14 0.05 0.00 -3.03 0.00 0.00 41.25 38.12 2bze s ASN 385 CO 0.00 -0.18 0.35 -1.00 -2.03 0.00 0.00 177.10 174.25 2bze s HIS 386 N 1.57 3.24 0.00 1.54 3.76 -0.76 -4.83 115.29 119.81 2bze s HIS 386 Ca -0.03 -0.74 0.00 0.00 -0.15 0.00 0.00 55.06 54.14 2bze s HIS 386 Cb -0.13 -2.89 0.00 0.00 1.11 0.00 0.00 32.58 30.68 2bze s HIS 386 CO -0.03 -0.70 0.00 -1.71 -0.85 0.00 0.00 174.74 171.45 2bze n ASN 387 N 5.20 0.00 0.00 1.40 2.85 -1.26 -1.22 115.26 122.23 2bze n ASN 387 Ca -0.12 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.35 2bze n ASN 387 Cb 0.45 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.47 2bze n ASN 387 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 2bze n SER 388 N 2.47 0.00 -4.51 1.20 7.64 -1.26 -5.09 113.62 114.07 2bze n SER 388 Ca 0.00 -1.00 -0.32 0.00 1.01 0.00 0.00 58.87 58.56 2bze n SER 388 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 2bze n SER 388 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2bze s LYS 389 N 0.00 2.36 -0.45 1.43 -2.85 -0.36 -5.08 119.74 114.80 2bze s LYS 389 Ca 0.00 -0.81 -0.29 0.00 -1.00 0.00 0.00 55.97 53.88 2bze s LYS 389 Cb 0.00 -2.35 0.03 0.00 -2.06 0.00 0.00 37.83 33.45 2bze s LYS 389 CO 0.00 0.59 1.10 -1.25 0.10 0.00 0.00 175.35 175.89 2bze s PRO 390 N -1.23 3.76 -0.51 1.78 0.04 -1.26 -1.82 135.00 135.76 2bze s PRO 390 Ca 0.15 0.61 -0.16 0.00 0.04 0.00 0.00 61.00 61.63 2bze s PRO 390 Cb -0.11 -3.88 0.10 0.00 0.04 0.00 0.00 34.50 30.65 2bze s PRO 390 CO 0.05 -1.28 0.49 0.08 0.04 0.00 0.00 177.00 176.37 2bze s VAL 391 N 4.25 5.15 0.16 -0.36 1.01 -1.25 -5.00 120.40 124.36 2bze s VAL 391 Ca 0.46 -1.17 0.09 0.00 0.00 0.00 0.00 61.98 61.36 2bze s VAL 391 Cb -0.08 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 2bze s VAL 391 CO 0.28 -0.77 -0.19 -0.31 0.00 0.00 0.00 175.10 174.11 2bze s TYR 392 N 1.84 1.87 0.21 5.22 2.02 -1.26 -0.66 117.35 126.58 2bze s TYR 392 Ca 0.06 -0.45 0.02 0.00 -0.37 0.00 0.00 57.07 56.32 2bze s TYR 392 Cb -0.26 -0.93 -0.05 0.00 -0.40 0.00 0.00 41.96 40.32 2bze s TYR 392 CO 0.06 0.34 0.04 1.03 -1.57 0.00 0.00 175.55 175.45 2bze s ARG 393 N -2.74 1.23 -0.12 -0.62 0.52 0.60 -4.93 118.95 112.89 2bze s ARG 393 Ca 0.16 -1.62 -0.13 0.00 -0.52 0.00 0.00 55.73 53.62 2bze s ARG 393 Cb -0.06 -0.27 -0.05 0.00 0.52 0.00 0.00 34.95 35.09 2bze s ARG 393 CO 0.07 -0.19 0.29 0.08 0.02 0.00 0.00 175.30 175.57 2bze s VAL 394 N -3.69 5.28 -0.03 3.52 1.01 -1.26 -2.49 120.40 122.75 2bze s VAL 394 Ca 0.29 0.54 0.01 0.00 0.00 0.00 0.00 61.98 62.82 2bze s VAL 394 Cb 0.07 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.86 2bze s VAL 394 CO 0.08 0.48 -0.02 0.00 0.00 0.00 0.00 175.10 175.63 2bze s ALA 395 N -0.16 0.41 0.12 5.51 0.00 -1.01 -4.49 121.76 122.14 2bze s ALA 395 Ca 0.18 0.03 -0.28 0.00 0.00 0.00 0.00 51.96 51.89 2bze s ALA 395 Cb -0.14 -0.29 -0.06 0.00 0.00 0.00 0.00 23.12 22.63 2bze s ALA 395 CO 0.06 -0.01 0.89 -2.00 0.00 0.00 0.00 175.76 174.70 2bze s GLU 396 N 0.72 4.66 -0.30 0.00 2.12 0.88 -0.45 118.70 126.33 2bze s GLU 396 Ca -0.08 1.34 -0.24 0.00 0.36 0.00 0.00 54.97 56.35 2bze s GLU 396 Cb -0.11 -3.35 -0.00 0.00 0.26 0.00 0.00 34.13 30.93 2bze s GLU 396 CO -0.01 0.30 0.79 0.42 -0.54 0.00 0.00 175.26 176.23 2bze s ILE 397 N -0.28 4.80 -0.77 -3.70 1.01 0.48 -0.62 121.20 122.12 2bze s ILE 397 Ca 0.43 1.23 -0.01 0.00 0.00 0.00 0.00 60.65 62.30 2bze s ILE 397 Cb -0.23 -4.14 0.19 0.00 0.01 0.00 0.00 42.46 38.29 2bze s ILE 397 CO 0.28 -0.23 0.62 0.42 0.00 0.00 0.00 174.94 176.03 2bze s THR 398 N 2.94 3.93 0.07 2.92 -4.23 0.83 -1.87 115.64 120.24 2bze s THR 398 Ca 0.33 -3.59 0.00 0.00 -1.18 0.00 0.00 61.69 57.25 2bze s THR 398 Cb -0.14 -3.50 0.00 0.00 1.34 0.00 0.00 72.50 70.20 2bze s THR 398 CO 0.12 -1.00 0.00 0.61 -0.54 0.00 0.00 174.62 173.81 2bze n GLY 399 N 2.71 -1.14 3.16 3.99 0.00 -1.26 -2.60 105.19 110.04 2bze n GLY 399 Ca 0.16 -1.03 -0.25 0.00 0.00 0.00 0.00 46.02 44.90 2bze n GLY 399 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bze s VAL 400 N -0.44 1.39 0.40 1.61 0.11 -1.26 -1.37 120.40 120.84 2bze s VAL 400 Ca 0.00 -0.74 0.07 0.00 -2.93 0.00 0.00 61.98 58.39 2bze s VAL 400 Cb 0.00 -1.17 -0.07 0.00 -1.53 0.00 0.00 36.38 33.61 2bze s VAL 400 CO 0.00 0.40 0.07 0.68 -3.33 0.00 0.00 175.10 172.92 2bze s VAL 401 N -0.26 2.20 0.04 2.04 -7.23 0.17 -4.90 120.40 112.47 2bze s VAL 401 Ca 0.03 -1.89 0.03 0.00 -1.81 0.00 0.00 61.98 58.35 2bze s VAL 401 Cb -0.08 -2.96 -0.04 0.00 0.56 0.00 0.00 36.38 33.86 2bze s VAL 401 CO 0.00 -0.03 -0.01 -1.61 -0.31 0.00 0.00 175.10 173.14 2bze s GLU 402 N -3.78 2.65 0.51 4.82 2.02 -1.26 -0.23 118.70 123.43 2bze s GLU 402 Ca 0.37 -0.73 0.03 0.00 0.02 0.00 0.00 54.97 54.66 2bze s GLU 402 Cb 0.06 -2.59 0.03 0.00 0.10 0.00 0.00 34.13 31.73 2bze s GLU 402 CO 0.20 0.58 0.23 0.25 0.02 0.00 0.00 175.26 176.54 2bze n THR 403 N 1.02 0.00 -1.30 3.63 -2.24 0.20 -4.85 114.28 110.74 2bze n THR 403 Ca -0.13 -2.18 -0.14 0.00 -2.27 0.00 0.00 64.05 59.33 2bze n THR 403 Cb 0.52 0.16 0.20 0.00 -2.10 0.00 0.00 70.33 69.12 2bze n THR 403 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bze n ALA 404 N -1.72 4.93 -3.64 6.98 0.00 -1.26 -4.71 120.51 121.10 2bze n ALA 404 Ca -0.18 -2.93 -0.29 0.00 0.00 0.00 0.00 53.44 50.03 2bze n ALA 404 Cb 0.61 -1.12 -0.14 0.00 0.00 0.00 0.00 19.45 18.79 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 -3.24 0.59 -0.54 0.00 2.47 -1.26 -5.06 119.74 112.69 2bze s LYS 405 Ca 0.51 -1.03 -0.28 0.00 -1.56 0.00 0.00 55.97 53.62 2bze s LYS 405 Cb 0.44 -1.68 0.02 0.00 -1.46 0.00 0.00 37.83 35.15 2bze s LYS 405 CO 0.07 -1.04 1.36 0.08 0.16 0.00 0.00 175.35 175.98 2bze s VAL 406 N 1.57 3.86 0.39 4.02 1.01 -1.26 -3.91 120.40 126.09 2bze s VAL 406 Ca 0.11 0.77 0.08 0.00 0.00 0.00 0.00 61.98 62.94 2bze s VAL 406 Cb -0.18 -4.46 0.00 0.00 0.00 0.00 0.00 36.38 31.74 2bze s VAL 406 CO -0.23 -1.14 0.53 -0.72 0.00 0.00 0.00 175.10 173.54 2bze s TYR 407 N 5.71 2.90 -0.64 5.22 -0.85 -0.74 -4.82 117.35 124.14 2bze s TYR 407 Ca 0.52 -0.35 -0.11 0.00 -0.52 0.00 0.00 57.07 56.61 2bze s TYR 407 Cb -0.10 -2.25 0.17 0.00 0.38 0.00 0.00 41.96 40.16 2bze s TYR 407 CO 0.26 -0.27 0.54 -1.14 -1.52 0.00 0.00 175.55 173.42 2bze s GLN 408 N -4.28 2.99 0.55 -3.49 2.00 -1.26 -3.14 119.66 113.03 2bze s GLN 408 Ca 0.51 -2.15 0.01 0.00 -2.00 0.00 0.00 55.36 51.74 2bze s GLN 408 Cb -0.10 -4.14 0.03 0.00 0.80 0.00 0.00 33.01 29.61 2bze s GLN 408 CO 0.32 -1.25 0.78 -1.17 -0.50 0.00 0.00 175.29 173.47 2bze s LEU 409 N 0.71 3.27 0.03 3.68 2.96 -1.23 -4.98 118.68 123.12 2bze s LEU 409 Ca 0.12 -0.01 -0.35 0.00 -0.22 0.00 0.00 54.13 53.67 2bze s LEU 409 Cb -0.20 -2.87 -0.18 0.00 0.50 0.00 0.00 46.19 43.44 2bze s LEU 409 CO -0.03 -1.14 0.91 0.61 -1.32 0.00 0.00 176.35 175.37 2bze n GLY 410 N -2.35 -0.47 3.54 7.98 0.00 -1.26 -3.40 105.19 109.23 2bze n GLY 410 Ca 0.08 0.64 -0.18 0.00 0.00 0.00 0.00 46.02 46.56 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 1.46 -0.22 3.09 -0.02 0.00 -1.26 -4.84 105.19 103.40 2bze n GLY 411 Ca 0.18 0.29 -0.11 0.00 0.00 0.00 0.00 46.02 46.39 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 10.99 0.46 -0.28 2.61 -1.32 -1.22 -5.12 115.64 121.77 2bze s THR 412 Ca 1.04 -1.43 -0.00 0.00 -1.21 0.00 0.00 61.69 60.09 2bze s THR 412 Cb -0.34 -1.03 0.08 0.00 -1.51 0.00 0.00 72.50 69.71 2bze s THR 412 CO 0.22 -0.65 0.05 -0.13 -2.21 0.00 0.00 174.62 171.90 2bze s ARG 413 N -2.63 1.00 -0.01 7.08 3.00 -1.26 -3.48 118.95 122.65 2bze s ARG 413 Ca -0.02 -1.06 0.01 0.00 0.00 0.00 0.00 55.73 54.67 2bze s ARG 413 Cb -0.02 -2.30 0.01 0.00 0.00 0.00 0.00 34.95 32.64 2bze s ARG 413 CO -0.03 -0.84 -0.02 -0.08 0.00 0.00 0.00 175.30 174.32 2bze s THR 414 N 1.51 0.24 -0.85 0.02 -1.32 -1.19 -4.90 115.64 109.16 2bze s THR 414 Ca 0.05 -0.07 -0.02 0.00 -1.21 0.00 0.00 61.69 60.43 2bze s THR 414 Cb -0.18 -0.25 0.27 0.00 -1.51 0.00 0.00 72.50 70.83 2bze s THR 414 CO -0.16 0.10 2.16 -0.46 -2.21 0.00 0.00 174.62 174.05 2bze n ASN 415 N 3.36 7.33 -3.90 8.08 6.94 -1.25 -1.78 115.26 134.04 2bze n ASN 415 Ca -0.17 -3.63 -0.10 0.00 -0.02 0.00 0.00 54.58 50.65 2bze n ASN 415 Cb 0.56 -1.14 -0.10 0.00 -2.36 0.00 0.00 39.78 36.74 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 -3.46 0.50 -0.01 -3.83 0.00 -1.26 0.59 119.74 112.26 2bze s LYS 416 Ca 0.51 -0.54 -0.10 0.00 0.00 0.00 0.00 55.97 55.84 2bze s LYS 416 Cb 0.36 0.20 0.01 0.00 0.00 0.00 0.00 37.83 38.40 2bze s LYS 416 CO -0.30 -0.12 0.20 0.20 0.00 0.00 0.00 175.35 175.34 2bze s GLY 417 N -1.63 -0.04 0.46 0.59 0.00 0.68 -4.57 107.32 102.80 2bze s GLY 417 Ca -0.12 0.11 -0.21 0.00 0.00 0.00 0.00 44.72 44.50 2bze s GLY 417 CO -0.01 -0.04 1.02 1.08 0.00 0.00 0.00 173.10 175.15 2bze s LEU 418 N -1.16 3.92 -0.44 0.66 2.01 -1.22 0.45 118.68 122.91 2bze s LEU 418 Ca -0.12 1.89 -0.25 0.00 0.01 0.00 0.00 54.13 55.66 2bze s LEU 418 Cb -0.06 -4.48 0.02 0.00 0.01 0.00 0.00 46.19 41.68 2bze s LEU 418 CO 0.02 -0.63 0.90 -1.58 1.01 0.00 0.00 176.35 176.08 2bze s GLN 419 N -3.08 3.58 0.17 1.70 2.00 -0.47 -2.54 119.66 121.03 2bze s GLN 419 Ca 0.64 0.20 -0.06 0.00 -2.00 0.00 0.00 55.36 54.15 2bze s GLN 419 Cb -0.16 -3.90 -0.06 0.00 0.80 0.00 0.00 33.01 29.69 2bze s GLN 419 CO 0.20 -1.15 0.42 -0.51 -0.50 0.00 0.00 175.29 173.75 2bze s LEU 420 N 3.63 4.23 -0.04 3.68 1.43 0.73 -0.12 118.68 132.23 2bze s LEU 420 Ca 0.36 0.66 -0.01 0.00 -1.03 0.00 0.00 54.13 54.12 2bze s LEU 420 Cb -0.11 -3.40 0.03 0.00 0.03 0.00 0.00 46.19 42.74 2bze s LEU 420 CO 0.24 0.01 0.02 -0.60 0.23 0.00 0.00 176.35 176.25 2bze s ARG 421 N -2.77 0.19 -0.62 1.70 3.52 0.21 -0.61 118.95 120.57 2bze s ARG 421 Ca 0.43 0.18 -0.10 0.00 -0.13 0.00 0.00 55.73 56.10 2bze s ARG 421 Cb -0.12 -0.52 0.16 0.00 -1.56 0.00 0.00 34.95 32.91 2bze s ARG 421 CO 0.24 -0.22 0.51 -1.01 -0.81 0.00 0.00 175.30 174.02 2bze s HIS 422 N 1.48 3.49 0.00 5.12 3.76 -0.58 -0.09 115.29 128.48 2bze s HIS 422 Ca -0.04 -1.98 0.00 0.00 -0.15 0.00 0.00 55.06 52.90 2bze s HIS 422 Cb -0.13 -3.58 0.00 0.00 1.11 0.00 0.00 32.58 29.98 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 4.41 1.70 2.75 -2.22 0.00 -1.26 -2.31 105.19 108.26 2bze n GLY 423 Ca 0.01 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 3.74 -0.09 1.61 2.47 -1.26 -4.81 114.94 112.59 2bze s ASN 424 Ca 0.00 -3.19 -0.03 0.00 0.42 0.00 0.00 52.86 50.06 2bze s ASN 424 Cb 0.00 -1.21 0.04 0.00 -1.45 0.00 0.00 41.25 38.63 2bze s ASN 424 CO 0.00 -0.18 0.07 -0.62 -3.72 0.00 0.00 177.10 172.65 2bze s ASP 425 N -0.43 1.62 -0.29 -4.21 -1.08 -0.98 -4.95 116.67 106.35 2bze s ASP 425 Ca 0.23 -0.19 -0.06 0.00 -0.52 0.00 0.00 52.55 52.01 2bze s ASP 425 Cb -0.12 -0.20 0.02 0.00 -1.46 0.00 0.00 42.92 41.16 2bze s ASP 425 CO -0.10 -0.28 0.06 -1.58 0.52 0.00 0.00 175.17 173.79 2bze s GLN 426 N 2.14 2.95 -0.08 4.34 0.74 -1.26 -1.52 119.66 126.97 2bze s GLN 426 Ca 0.04 -0.94 -0.09 0.00 0.05 0.00 0.00 55.36 54.41 2bze s GLN 426 Cb -0.14 -3.31 0.02 0.00 1.10 0.00 0.00 33.01 30.68 2bze s GLN 426 CO -0.05 -0.48 0.25 0.50 -0.55 0.00 0.00 175.29 174.96 2bze s ARG 427 N 1.45 0.35 0.00 1.67 3.52 0.22 -4.99 118.95 121.16 2bze s ARG 427 Ca 0.01 0.24 -0.14 0.00 -0.13 0.00 0.00 55.73 55.72 2bze s ARG 427 Cb -0.18 0.16 -0.06 0.00 -1.56 0.00 0.00 34.95 33.32 2bze s ARG 427 CO 0.01 -0.06 0.39 0.54 -0.81 0.00 0.00 175.30 175.38 2bze s VAL 428 N -0.13 5.06 0.38 7.11 0.11 -1.26 -0.19 120.40 131.47 2bze s VAL 428 Ca -0.03 0.77 0.05 0.00 -2.93 0.00 0.00 61.98 59.84 2bze s VAL 428 Cb -0.03 -3.69 -0.06 0.00 -1.53 0.00 0.00 36.38 31.07 2bze s VAL 428 CO 0.01 0.55 0.04 -0.36 -3.33 0.00 0.00 175.10 172.01 2bze s PHE 429 N -1.11 2.16 0.16 1.54 0.40 -1.05 -4.89 117.98 115.20 2bze s PHE 429 Ca 0.24 -0.87 0.04 0.00 -0.60 0.00 0.00 56.93 55.74 2bze s PHE 429 Cb -0.16 -1.49 -0.04 0.00 0.51 0.00 0.00 43.02 41.84 2bze s PHE 429 CO 0.13 0.18 0.23 1.03 0.70 0.00 0.00 175.22 177.49 2bze s ARG 430 N -3.81 3.22 0.51 0.44 3.00 -1.26 -3.43 118.95 117.63 2bze s ARG 430 Ca 0.33 -0.72 0.25 0.00 0.00 0.00 0.00 55.73 55.59 2bze s ARG 430 Cb 0.08 -2.83 1.37 0.00 0.00 0.00 0.00 34.95 33.58 2bze s ARG 430 CO 0.16 0.50 2.06 -0.07 0.00 0.00 0.00 175.30 177.94 2bze h LEU 431 N 2.15 0.00 -1.05 2.53 3.38 -1.97 -2.53 115.31 117.81 2bze h LEU 431 Ca -0.48 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 2bze h LEU 431 Cb 1.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 2bze h LEU 431 CO 0.66 0.13 -0.08 1.05 0.09 0.00 0.00 178.44 180.29 2bze h GLU 432 N 0.00 0.00 -0.13 1.13 4.11 -1.94 -2.74 114.58 115.01 2bze h GLU 432 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2bze h GLU 432 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2bze h GLU 432 CO 0.02 0.08 0.00 1.19 0.07 0.00 0.00 179.01 180.36 2bze n PHE 433 N -3.18 0.16 -2.84 2.06 3.72 -0.95 -4.86 117.46 111.57 2bze n PHE 433 Ca 0.01 -0.08 -0.40 0.00 -0.05 0.00 0.00 57.45 56.93 2bze n PHE 433 Cb 0.39 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.88 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 -1.84 4.35 0.78 -4.37 1.01 -1.03 -2.83 120.40 116.46 2bze s VAL 434 Ca 0.34 1.92 -0.12 0.00 0.00 0.00 0.00 61.98 64.12 2bze s VAL 434 Cb 0.20 -4.25 0.06 0.00 0.00 0.00 0.00 36.38 32.39 2bze s VAL 434 CO 0.30 0.44 1.13 -0.44 0.00 0.00 0.00 175.10 176.54 2bze s SER 435 N -0.71 4.78 -0.18 3.32 0.01 -0.02 -4.30 113.70 116.61 2bze s SER 435 Ca 0.41 0.99 0.15 0.00 1.31 0.00 0.00 55.95 58.81 2bze s SER 435 Cb -0.24 -1.64 -0.21 0.00 0.21 0.00 0.00 66.02 64.14 2bze s SER 435 CO 0.29 -1.75 0.05 0.59 0.41 0.00 0.00 173.24 172.82 2bze n ASN 436 N -3.25 0.74 -4.84 2.44 3.02 -1.26 -2.10 115.26 110.01 2bze n ASN 436 Ca 0.07 -0.01 -0.30 0.00 -0.03 0.00 0.00 54.58 54.31 2bze n ASN 436 Cb 0.59 0.86 0.06 0.00 -0.61 0.00 0.00 39.78 40.68 2bze n ASN 436 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bze s GLN 437 N -2.43 2.62 0.50 3.52 0.00 -1.26 -4.89 119.66 117.72 2bze s GLN 437 Ca -0.10 0.66 -0.04 0.00 -0.00 0.00 0.00 55.36 55.88 2bze s GLN 437 Cb 0.05 -1.98 0.11 0.00 0.00 0.00 0.00 33.01 31.19 2bze s GLN 437 CO 0.71 -1.25 0.68 -0.85 0.00 0.00 0.00 175.29 174.58 2bze n GLU 438 N -3.18 -0.20 -3.06 9.60 0.28 -1.26 -4.88 120.64 117.93 2bze n GLU 438 Ca 0.07 -1.47 -0.26 0.00 -0.16 0.00 0.00 57.16 55.34 2bze n GLU 438 Cb 0.56 -0.57 -0.01 0.00 1.43 0.00 0.00 31.44 32.85 2bze n GLU 438 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 2bze s PHE 439 N -2.15 3.52 0.32 -1.84 0.40 -1.26 -5.08 117.98 111.89 2bze s PHE 439 Ca 0.42 0.61 0.03 0.00 -0.60 0.00 0.00 56.93 57.39 2bze s PHE 439 Cb -0.02 -2.11 -0.06 0.00 0.51 0.00 0.00 43.02 41.34 2bze s PHE 439 CO 0.28 -0.04 0.07 -0.08 0.70 0.00 0.00 175.22 176.16 2bze s THR 440 N -2.45 1.04 0.21 0.64 -1.32 -1.26 -4.89 115.64 107.61 2bze s THR 440 Ca 0.44 -2.00 -0.09 0.00 -1.21 0.00 0.00 61.69 58.83 2bze s THR 440 Cb -0.10 -2.73 0.16 0.00 -1.51 0.00 0.00 72.50 68.32 2bze s THR 440 CO 0.38 0.00 1.74 1.05 -2.21 0.00 0.00 174.62 175.59 2bze h GLU 441 N 2.12 0.41 -0.73 7.08 4.11 -1.99 -0.84 114.58 124.74 2bze h GLU 441 Ca -0.40 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.00 2bze h GLU 441 Cb 1.25 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 2bze h GLU 441 CO 0.67 0.27 0.43 0.77 0.07 0.00 0.00 179.01 181.22 2bze h SER 442 N 0.42 0.88 -0.11 3.06 0.02 -1.99 0.77 113.55 116.60 2bze h SER 442 Ca 0.32 -0.05 -0.11 0.00 -0.84 0.00 0.00 61.79 61.11 2bze h SER 442 Cb 0.40 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2bze h SER 442 CO -0.32 0.69 -0.36 -0.33 -1.14 0.00 0.00 176.83 175.37 2bze h GLU 443 N 1.01 0.44 -0.47 3.45 4.39 -1.72 -2.44 114.58 119.25 2bze h GLU 443 Ca 0.26 -0.32 0.02 0.00 0.34 0.00 0.00 59.36 59.66 2bze h GLU 443 Cb -0.03 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 2bze h GLU 443 CO -0.05 0.95 0.29 0.35 -1.16 0.00 0.00 179.01 179.38 2bze h PHE 444 N 0.01 0.54 -0.49 4.33 3.04 -0.68 -1.08 116.94 122.61 2bze h PHE 444 Ca -0.01 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 2bze h PHE 444 Cb 0.98 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 39.29 2bze h PHE 444 CO 0.11 0.32 0.21 0.52 -2.02 0.00 0.00 178.31 177.45 2bze h MET 445 N 0.58 0.70 -0.07 1.11 2.86 -0.83 0.19 114.93 119.47 2bze h MET 445 Ca 0.18 -0.09 -0.14 0.00 -2.06 0.00 0.00 59.70 57.58 2bze h MET 445 Cb -0.01 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 2bze h MET 445 CO -0.07 0.57 -0.59 -0.22 1.06 0.00 0.00 176.91 177.66 2bze h LYS 446 N 0.70 0.24 -0.11 1.72 1.63 -0.94 -1.39 116.57 118.42 2bze h LYS 446 Ca 0.17 -0.16 -0.08 0.00 -0.85 0.00 0.00 60.65 59.73 2bze h LYS 446 Cb 0.13 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 2bze h LYS 446 CO -0.02 0.76 -0.24 2.35 -3.45 0.00 0.00 179.45 178.86 2bze h TRP 447 N 0.18 0.45 -0.44 1.91 7.01 -0.34 -2.18 115.95 122.55 2bze h TRP 447 Ca -0.00 -0.17 0.09 0.00 2.11 0.00 0.00 58.89 60.92 2bze h TRP 447 Cb 1.09 -0.08 -0.09 0.00 -2.10 0.00 0.00 29.16 27.98 2bze h TRP 447 CO 0.02 0.85 -0.14 -0.22 -2.79 0.00 0.00 178.44 176.16 2bze h LYS 448 N -0.08 -0.04 0.00 2.65 1.63 -0.52 0.60 116.57 120.81 2bze h LYS 448 Ca 0.00 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.76 2bze h LYS 448 Cb 0.84 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.47 2bze h LYS 448 CO 0.05 -0.03 -0.22 1.05 -3.45 0.00 0.00 179.45 176.86 2bze h GLU 449 N -0.05 0.00 -0.15 1.90 4.11 -1.25 0.19 114.58 119.34 2bze h GLU 449 Ca 0.21 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.53 2bze h GLU 449 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2bze h GLU 449 CO -0.47 0.22 -0.35 0.00 0.07 0.00 0.00 179.01 178.47 2bze h ALA 450 N 1.78 0.24 -0.30 1.06 0.00 -0.40 0.10 119.26 121.75 2bze h ALA 450 Ca -0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 2bze h ALA 450 Cb 0.49 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2bze h ALA 450 CO 0.03 0.31 -0.18 0.52 0.00 0.00 0.00 179.25 179.92 2bze h MET 451 N 0.12 0.65 -0.23 0.00 2.86 -0.54 -0.86 114.93 116.94 2bze h MET 451 Ca -0.00 -0.30 -0.00 0.00 -2.06 0.00 0.00 59.70 57.33 2bze h MET 451 Cb 0.96 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 2bze h MET 451 CO 0.08 0.90 0.13 0.35 1.06 0.00 0.00 176.91 179.42 2bze h PHE 452 N 0.40 0.31 -0.06 -0.22 3.57 -0.60 0.25 116.94 120.60 2bze h PHE 452 Ca 0.06 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.45 2bze h PHE 452 Cb 0.72 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 2bze h PHE 452 CO 0.06 0.27 -0.43 1.03 -2.23 0.00 0.00 178.31 177.02 2bze h SER 453 N 0.26 0.14 0.98 0.41 0.87 -0.78 -2.35 113.55 113.07 2bze h SER 453 Ca 0.08 -0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.50 2bze h SER 453 Cb 0.06 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 2bze h SER 453 CO -0.01 0.56 -0.40 0.00 -0.53 0.00 0.00 176.83 176.45 2bze h ALA 454 N 1.45 0.92 0.00 6.23 0.00 -0.42 -3.46 119.26 123.98 2bze h ALA 454 Ca 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2bze h ALA 454 Cb 0.81 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2bze h ALA 454 CO 0.06 0.50 0.00 0.41 0.00 0.00 0.00 179.25 180.22 2bze n GLY 455 N 0.43 0.88 3.92 0.00 0.00 0.37 -4.87 105.19 105.93 2bze n GLY 455 Ca 0.00 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 2bze n GLY 455 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2bze s MET 456 N -0.41 3.55 -0.04 1.61 -2.45 0.61 -5.00 119.30 117.17 2bze s MET 456 Ca 0.00 -0.08 -0.04 0.00 -1.25 0.00 0.00 55.69 54.31 2bze s MET 456 Cb 0.00 -2.58 -0.04 0.00 1.25 0.00 0.00 34.83 33.46 2bze s MET 456 CO 0.00 0.08 0.18 -1.14 1.05 0.00 0.00 175.02 175.19 2bze s GLN 457 N -4.16 3.46 0.53 4.11 0.74 -1.26 -4.24 119.66 118.82 2bze s GLN 457 Ca 0.43 -0.24 -0.17 0.00 0.05 0.00 0.00 55.36 55.43 2bze s GLN 457 Cb -0.10 -3.12 -0.07 0.00 1.10 0.00 0.00 33.01 30.82 2bze s GLN 457 CO 0.36 0.70 1.00 -0.51 -0.55 0.00 0.00 175.29 176.29 2bze s LEU 458 N -1.67 3.62 0.71 3.68 2.01 -1.26 -5.05 118.68 120.72 2bze s LEU 458 Ca 0.24 1.64 -0.11 0.00 0.01 0.00 0.00 54.13 55.90 2bze s LEU 458 Cb -0.13 -4.52 0.02 0.00 0.01 0.00 0.00 46.19 41.57 2bze s LEU 458 CO 0.14 -0.71 1.08 -2.16 1.01 0.00 0.00 176.35 175.71 2bze s PRO 459 N -4.01 2.83 0.32 1.29 0.04 -1.26 -4.90 135.00 129.31 2bze s PRO 459 Ca 0.60 0.66 0.06 0.00 0.04 0.00 0.00 61.00 62.36 2bze s PRO 459 Cb -0.11 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 2bze s PRO 459 CO 0.31 -1.10 0.46 0.95 0.04 0.00 0.00 177.00 177.67 2bze s THR 460 N -3.21 4.30 0.05 1.26 -4.23 -1.26 -1.25 115.64 111.30 2bze s THR 460 Ca 0.58 -0.96 0.31 0.00 -1.18 0.00 0.00 61.69 60.44 2bze s THR 460 Cb -0.12 -3.50 0.36 0.00 1.34 0.00 0.00 72.50 70.57 2bze s THR 460 CO 0.53 -0.20 1.91 -0.07 -0.54 0.00 0.00 174.62 176.26 2bze h LEU 461 N 0.91 0.00 -1.00 4.79 3.38 -1.17 -0.95 115.31 121.28 2bze h LEU 461 Ca -0.47 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.51 2bze h LEU 461 Cb 1.25 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.95 2bze h LEU 461 CO 0.54 0.04 0.64 -0.78 0.09 0.00 0.00 178.44 178.98 2bze h ASP 462 N 0.00 1.15 0.25 -0.43 1.82 -1.79 -0.45 116.42 116.98 2bze h ASP 462 Ca -0.00 -0.04 -0.33 0.00 -0.39 0.00 0.00 57.03 56.26 2bze h ASP 462 Cb 0.61 -0.29 0.04 0.00 0.68 0.00 0.00 39.33 40.37 2bze h ASP 462 CO 0.01 0.85 -1.46 -0.33 -1.61 0.00 0.00 179.24 176.69 2bze h GLU 463 N 1.35 0.54 -0.80 0.28 4.39 -1.71 -3.09 114.58 115.54 2bze h GLU 463 Ca 0.36 -0.92 0.08 0.00 0.34 0.00 0.00 59.36 59.21 2bze h GLU 463 Cb -0.13 0.34 -0.05 0.00 -0.10 0.00 0.00 28.75 28.81 2bze h GLU 463 CO -0.08 1.44 0.52 0.82 -1.16 0.00 0.00 179.01 180.56 2bze h ILE 464 N 0.14 1.01 -0.30 3.13 1.08 -1.02 -0.34 117.51 121.21 2bze h ILE 464 Ca -0.25 -0.28 -0.11 0.00 -0.39 0.00 0.00 64.86 63.82 2bze h ILE 464 Cb 2.16 0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 36.00 2bze h ILE 464 CO 0.27 0.15 -0.27 -1.13 -0.69 0.00 0.00 178.15 176.49 2bze h ASN 465 N 0.83 0.62 -0.23 1.72 -0.00 -1.07 0.10 115.58 117.54 2bze h ASN 465 Ca 0.35 -0.23 -0.04 0.00 -0.00 0.00 0.00 56.30 56.39 2bze h ASN 465 Cb 0.31 -0.17 -0.01 0.00 -0.00 0.00 0.00 38.32 38.45 2bze h ASN 465 CO -0.13 0.87 -0.01 0.11 -0.00 0.00 0.00 177.43 178.27 2bze h LYS 466 N 0.53 0.42 -0.05 6.67 1.79 -1.11 -2.31 116.57 122.49 2bze h LYS 466 Ca 0.07 -0.14 -0.01 0.00 -2.18 0.00 0.00 60.65 58.39 2bze h LYS 466 Cb 0.74 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.35 2bze h LYS 466 CO 0.06 0.60 -0.02 0.87 -1.08 0.00 0.00 179.45 179.88 2bze h LYS 467 N 0.18 0.11 -0.59 3.15 1.79 -0.83 -1.42 116.57 118.96 2bze h LYS 467 Ca 0.06 -0.05 0.06 0.00 -2.18 0.00 0.00 60.65 58.55 2bze h LYS 467 Cb 0.42 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.03 2bze h LYS 467 CO 0.01 0.48 0.39 1.05 -1.08 0.00 0.00 179.45 180.31 2bze h GLU 468 N -0.27 0.56 -0.36 3.15 4.11 -1.03 0.15 114.58 120.89 2bze h GLU 468 Ca 0.01 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.39 2bze h GLU 468 Cb 0.45 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2bze h GLU 468 CO 0.01 0.37 0.17 1.25 0.07 0.00 0.00 179.01 180.87 2bze h LEU 469 N 0.57 0.48 -0.71 3.06 7.12 -1.11 -0.27 115.31 124.45 2bze h LEU 469 Ca 0.25 -0.14 -0.14 0.00 0.13 0.00 0.00 57.88 57.99 2bze h LEU 469 Cb 0.27 -0.12 -0.02 0.00 -0.53 0.00 0.00 40.66 40.26 2bze h LEU 469 CO -0.07 0.48 -0.62 0.28 -0.13 0.00 0.00 178.44 178.38 2bze h SER 470 N 0.44 0.10 0.17 1.25 0.02 0.02 -2.69 113.55 112.86 2bze h SER 470 Ca 0.12 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 2bze h SER 470 Cb 0.13 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2bze h SER 470 CO -0.01 0.69 -0.08 0.40 -1.14 0.00 0.00 176.83 176.69 2bze h ILE 471 N 0.06 0.90 -0.64 3.27 1.08 -0.36 -2.08 117.51 119.74 2bze h ILE 471 Ca -0.01 -0.34 -0.06 0.00 -0.39 0.00 0.00 64.86 64.07 2bze h ILE 471 Cb 1.11 1.11 -0.03 0.00 -3.07 0.00 0.00 36.82 35.94 2bze h ILE 471 CO 0.09 0.08 0.17 0.07 -0.69 0.00 0.00 178.15 177.86 2bze h LYS 472 N -0.39 1.00 0.00 2.37 2.10 -1.00 -0.86 116.57 119.78 2bze h LYS 472 Ca -0.02 -0.21 -0.06 0.00 -2.00 0.00 0.00 60.65 58.36 2bze h LYS 472 Cb 0.31 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.48 2bze h LYS 472 CO 0.04 0.87 -0.26 1.05 -2.00 0.00 0.00 179.45 179.15 2bze h GLU 473 N 0.95 0.00 0.15 0.07 4.11 -1.47 -2.24 114.58 116.15 2bze h GLU 473 Ca 0.21 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.33 2bze h GLU 473 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2bze h GLU 473 CO -0.00 0.26 -1.46 0.00 0.07 0.00 0.00 179.01 177.88 2bze h ALA 474 N 1.74 0.15 0.00 1.06 0.00 -0.72 -3.28 119.26 118.21 2bze h ALA 474 Ca -0.00 -1.01 -0.02 0.00 0.00 0.00 0.00 54.91 53.88 2bze h ALA 474 Cb 0.98 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2bze h ALA 474 CO 0.03 1.02 -0.08 1.37 0.00 0.00 0.00 179.25 181.60 2bze h LEU 475 N 0.08 0.00 0.00 0.00 8.10 -1.15 -3.49 115.31 118.86 2bze h LEU 475 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.77 2bze h LEU 475 Cb 2.03 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 42.25 2bze h LEU 475 CO 0.19 0.08 0.00 -3.20 -4.11 0.00 0.00 178.44 171.40