#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a0h s LEU 3 N 0.00 4.61 0.59 0.99 2.96 -1.26 -5.08 118.68 121.50 3a0h s LEU 3 Ca 0.00 -0.89 -0.19 0.00 -0.22 0.00 0.00 54.13 52.83 3a0h s LEU 3 Cb 0.00 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.63 3a0h s LEU 3 CO 0.00 -0.35 1.23 -2.16 -1.32 0.00 0.00 176.35 173.75 3a0h s PRO 4 N 1.57 2.95 0.25 0.98 0.04 -1.26 -4.75 135.00 134.79 3a0h s PRO 4 Ca 0.03 1.88 -0.04 0.00 0.04 0.00 0.00 61.00 62.91 3a0h s PRO 4 Cb -0.19 -1.95 0.50 0.00 0.04 0.00 0.00 34.50 32.91 3a0h s PRO 4 CO 0.07 -1.23 1.68 0.11 0.04 0.00 0.00 177.00 177.67 3a0h h TRP 5 N 0.91 0.32 -0.84 0.56 5.08 -1.99 -0.55 115.95 119.45 3a0h h TRP 5 Ca -0.51 0.04 -0.03 0.00 1.08 0.00 0.00 58.89 59.47 3a0h h TRP 5 Cb 1.30 -0.02 -0.04 0.00 -3.00 0.00 0.00 29.16 27.40 3a0h h TRP 5 CO 0.46 -0.09 0.39 0.10 -1.28 0.00 0.00 178.44 178.02 3a0h h TYR 6 N 0.28 1.22 0.00 0.12 -0.00 -2.04 -0.04 116.97 116.52 3a0h h TYR 6 Ca 0.44 -0.06 0.00 0.00 0.00 0.00 0.00 58.73 59.11 3a0h h TYR 6 Cb 0.77 -0.37 0.00 0.00 0.00 0.00 0.00 36.73 37.12 3a0h h TYR 6 CO -0.25 0.88 0.00 0.00 -0.00 0.00 0.00 178.16 178.79 3a0h h ARG 7 N 1.20 0.00 0.00 0.10 3.08 -1.48 -3.10 114.38 114.17 3a0h h ARG 7 Ca 0.29 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.26 3a0h h ARG 7 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3a0h h ARG 7 CO -0.03 0.00 -0.35 -0.39 -1.07 0.00 0.00 179.97 178.12 3a0h h VAL 8 N 0.00 1.25 0.00 2.04 -1.51 -0.38 -2.08 116.25 115.57 3a0h h VAL 8 Ca 0.00 -1.22 0.00 0.00 -1.23 0.00 0.00 66.70 64.25 3a0h h VAL 8 Cb 0.28 1.66 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 3a0h h VAL 8 CO 0.00 0.35 0.00 1.41 -1.23 0.00 0.00 177.57 178.10 3a0h n HIS 9 N -4.11 0.70 0.12 5.19 8.25 -1.17 -2.90 115.22 121.30 3a0h n HIS 9 Ca -0.02 0.21 0.01 0.00 -0.26 0.00 0.00 57.72 57.66 3a0h n HIS 9 Cb 0.39 -0.84 0.35 0.00 1.12 0.00 0.00 29.99 31.01 3a0h n HIS 9 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3a0h h THR 10 N 0.00 1.22 0.00 1.59 2.02 -1.52 -3.37 112.91 112.85 3a0h h THR 10 Ca 0.00 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.15 3a0h h THR 10 Cb 0.66 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 3a0h h THR 10 CO 0.00 0.31 0.00 0.52 0.37 0.00 0.00 175.52 176.72 3a0h n VAL 11 N -4.19 0.00 0.00 3.16 0.31 -1.14 -1.97 118.33 114.50 3a0h n VAL 11 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3a0h n VAL 11 Cb 0.34 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.27 3a0h n VAL 11 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3a0h n LEU 12 N -0.32 0.00 0.00 7.52 -0.00 -1.26 -4.61 117.00 118.32 3a0h n LEU 12 Ca 0.00 0.30 0.00 0.00 -0.00 0.00 0.00 56.01 56.31 3a0h n LEU 12 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3a0h n LEU 12 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.39 3a0h n ILE 13 N -0.40 0.00 -2.41 1.47 0.13 -0.83 -4.38 119.36 112.94 3a0h n ILE 13 Ca 0.00 0.00 -0.24 0.00 -1.10 0.00 0.00 62.75 61.41 3a0h n ILE 13 Cb 0.00 0.00 0.14 0.00 -0.84 0.00 0.00 39.64 38.94 3a0h n ILE 13 CO 0.00 0.00 0.00 -0.46 2.80 0.00 0.00 176.55 178.89 3a0h n ASN 14 N 0.00 0.98 -2.45 9.51 6.94 -1.26 -4.57 115.26 124.41 3a0h n ASN 14 Ca 0.00 -1.93 -0.11 0.00 -0.02 0.00 0.00 54.58 52.52 3a0h n ASN 14 Cb 0.00 -0.73 0.05 0.00 -2.36 0.00 0.00 39.78 36.74 3a0h n ASN 14 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 3a0h n ASP 15 N -3.17 -2.46 0.30 0.53 2.03 -1.26 -4.83 116.55 107.69 3a0h n ASP 15 Ca 0.16 -0.37 0.08 0.00 0.52 0.00 0.00 54.79 55.18 3a0h n ASP 15 Cb 0.57 -3.29 0.35 0.00 -0.72 0.00 0.00 41.12 38.03 3a0h n ASP 15 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3a0h h PRO 16 N -1.23 0.00 0.20 -0.67 0.11 -1.92 -2.34 132.00 126.16 3a0h h PRO 16 Ca -0.35 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.75 3a0h h PRO 16 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3a0h h PRO 16 CO 0.31 0.00 -0.23 0.78 -0.21 0.00 0.00 178.00 178.64 3a0h h GLY 17 N 0.00 -0.99 1.93 -0.55 0.00 -1.88 0.10 103.07 101.67 3a0h h GLY 17 Ca 0.03 0.45 0.01 0.00 0.00 0.00 0.00 47.33 47.82 3a0h h GLY 17 CO -0.00 -0.32 0.02 3.21 0.00 0.00 0.00 176.54 179.45 3a0h h ARG 18 N -0.44 0.00 -0.23 4.80 3.08 -1.52 -1.90 114.38 118.16 3a0h h ARG 18 Ca -0.03 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3a0h h ARG 18 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 3a0h h ARG 18 CO -0.04 0.00 0.01 1.25 -1.07 0.00 0.00 179.97 180.12 3a0h h LEU 19 N 0.00 0.39 -0.62 3.04 5.85 -1.46 -2.37 115.31 120.14 3a0h h LEU 19 Ca 0.02 -0.29 0.13 0.00 0.84 0.00 0.00 57.88 58.57 3a0h h LEU 19 Cb 0.07 -0.10 -0.10 0.00 0.37 0.00 0.00 40.66 40.89 3a0h h LEU 19 CO -0.00 0.59 0.05 0.40 -0.34 0.00 0.00 178.44 179.14 3a0h h ILE 20 N 0.18 0.53 0.00 4.05 1.08 0.03 1.27 117.51 124.65 3a0h h ILE 20 Ca 0.07 -0.06 -0.00 0.00 -0.39 0.00 0.00 64.86 64.48 3a0h h ILE 20 Cb 0.38 0.35 -0.00 0.00 -3.07 0.00 0.00 36.82 34.48 3a0h h ILE 20 CO 0.01 0.03 -0.02 0.00 -0.69 0.00 0.00 178.15 177.48 3a0h h ALA 21 N 1.54 1.16 0.05 1.87 0.00 -1.42 1.37 119.26 123.83 3a0h h ALA 21 Ca 0.33 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 3a0h h ALA 21 Cb 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3a0h h ALA 21 CO -0.49 0.02 -0.02 0.00 0.00 0.00 0.00 179.25 178.76 3a0h h ALA 22 N 1.98 -0.34 -0.86 0.00 0.00 0.21 -2.81 119.26 117.44 3a0h h ALA 22 Ca -0.00 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.08 3a0h h ALA 22 Cb 0.11 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 3a0h h ALA 22 CO 0.00 -0.34 0.57 0.45 0.00 0.00 0.00 179.25 179.94 3a0h h HIS 23 N -0.17 0.53 0.00 0.00 -0.00 -0.95 2.29 115.15 116.85 3a0h h HIS 23 Ca -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 3a0h h HIS 23 Cb 0.05 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 27.30 3a0h h HIS 23 CO 0.06 0.16 0.04 -0.11 -0.00 0.00 0.00 177.93 178.08 3a0h n LEU 24 N -4.50 0.00 -0.03 2.43 7.94 0.47 -1.25 117.00 122.06 3a0h n LEU 24 Ca 0.18 0.40 -0.07 0.00 -1.11 0.00 0.00 56.01 55.40 3a0h n LEU 24 Cb 0.64 -0.40 -0.02 0.00 0.53 0.00 0.00 43.42 44.17 3a0h n LEU 24 CO 0.31 -0.40 -0.61 0.23 -1.11 0.00 0.00 177.39 175.82 3a0h n MET 25 N -1.39 0.16 0.22 1.96 2.81 0.76 -3.33 117.12 118.31 3a0h n MET 25 Ca 0.00 0.07 0.10 0.00 -1.81 0.00 0.00 57.70 56.06 3a0h n MET 25 Cb 0.04 -0.77 0.52 0.00 -0.71 0.00 0.00 33.22 32.29 3a0h n MET 25 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 3a0h h HIS 26 N -0.28 0.00 0.07 2.03 -0.00 -1.16 1.99 115.15 117.81 3a0h h HIS 26 Ca -0.14 0.00 -0.32 0.00 -0.00 0.00 0.00 60.37 59.91 3a0h h HIS 26 Cb 0.93 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.32 3a0h h HIS 26 CO -0.05 0.00 -1.72 1.15 -0.00 0.00 0.00 177.93 177.31 3a0h h THR 27 N 0.00 0.90 -0.00 6.26 2.02 -1.37 -2.84 112.91 117.88 3a0h h THR 27 Ca 0.00 -2.65 0.00 0.00 0.77 0.00 0.00 66.41 64.53 3a0h h THR 27 Cb 0.61 2.57 0.00 0.00 -1.74 0.00 0.00 68.15 69.59 3a0h h THR 27 CO 0.00 0.73 -0.20 0.00 0.37 0.00 0.00 175.52 176.42 3a0h n ALA 28 N -2.71 2.89 -0.06 6.16 0.00 0.58 -2.55 120.51 124.82 3a0h n ALA 28 Ca -0.21 -0.25 -0.11 0.00 0.00 0.00 0.00 53.44 52.87 3a0h n ALA 28 Cb 1.04 -1.30 -0.15 0.00 0.00 0.00 0.00 19.45 19.05 3a0h n ALA 28 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3a0h n LEU 29 N -1.24 0.89 0.02 0.00 7.94 0.39 -3.65 117.00 121.35 3a0h n LEU 29 Ca 0.10 0.20 -0.01 0.00 -1.11 0.00 0.00 56.01 55.19 3a0h n LEU 29 Cb 0.31 0.08 -0.01 0.00 0.53 0.00 0.00 43.42 44.34 3a0h n LEU 29 CO 0.28 0.52 0.09 0.58 -1.11 0.00 0.00 177.39 177.74 3a0h h VAL 30 N 0.01 0.00 -0.58 1.96 2.07 -1.52 -2.88 116.25 115.30 3a0h h VAL 30 Ca -0.42 -0.30 0.12 0.00 0.82 0.00 0.00 66.70 66.93 3a0h h VAL 30 Cb 2.09 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 31.75 3a0h h VAL 30 CO 0.05 0.00 -0.12 0.00 0.02 0.00 0.00 177.57 177.52 3a0h n ALA 31 N -2.28 0.16 0.19 1.67 0.00 -1.06 0.16 120.51 119.37 3a0h n ALA 31 Ca -0.01 0.64 -0.12 0.00 0.00 0.00 0.00 53.44 53.95 3a0h n ALA 31 Cb 0.03 -0.40 -0.07 0.00 0.00 0.00 0.00 19.45 19.02 3a0h n ALA 31 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3a0h h GLY 32 N 0.00 -1.08 -1.28 0.00 0.00 -1.64 -1.66 103.07 97.40 3a0h h GLY 32 Ca 0.29 0.50 0.46 0.00 0.00 0.00 0.00 47.33 48.59 3a0h h GLY 32 CO -0.59 -0.34 0.96 -0.25 0.00 0.00 0.00 176.54 176.32 3a0h h TRP 33 N -0.67 0.41 0.00 5.60 7.01 0.18 0.38 115.95 128.87 3a0h h TRP 33 Ca -0.04 0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.98 3a0h h TRP 33 Cb 0.58 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 27.54 3a0h h TRP 33 CO -0.20 -0.18 0.00 0.00 -2.79 0.00 0.00 178.44 175.27 3a0h n ALA 34 N -2.60 -0.35 -0.41 2.65 0.00 -0.66 -1.76 120.51 117.39 3a0h n ALA 34 Ca 0.39 0.00 0.33 0.00 0.00 0.00 0.00 53.44 54.15 3a0h n ALA 34 Cb 1.55 0.00 0.62 0.00 0.00 0.00 0.00 19.45 21.62 3a0h n ALA 34 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3a0h h GLY 35 N 0.00 1.16 0.00 0.00 0.00 -0.77 0.16 103.07 103.62 3a0h h GLY 35 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3a0h h GLY 35 CO 0.00 -0.28 0.00 1.44 0.00 0.00 0.00 176.54 177.70 3a0h n SER 36 N -4.62 0.00 -0.33 0.19 7.64 0.12 -0.30 113.62 116.32 3a0h n SER 36 Ca 0.33 0.00 0.31 0.00 1.01 0.00 0.00 58.87 60.52 3a0h n SER 36 Cb 1.26 0.00 0.67 0.00 -1.01 0.00 0.00 64.21 65.13 3a0h n SER 36 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 3a0h h MET 37 N 0.00 0.13 -0.33 1.43 -1.53 -1.29 0.80 114.93 114.14 3a0h h MET 37 Ca 0.00 -0.01 0.07 0.00 -3.44 0.00 0.00 59.70 56.32 3a0h h MET 37 Cb 0.00 -0.03 -0.08 0.00 -0.55 0.00 0.00 31.60 30.94 3a0h h MET 37 CO 0.00 0.08 -0.35 0.00 0.14 0.00 0.00 176.91 176.79 3a0h h ALA 38 N 1.49 -0.28 -0.13 0.39 0.00 -0.62 1.20 119.26 121.30 3a0h h ALA 38 Ca 0.59 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.61 3a0h h ALA 38 Cb 2.03 0.72 -0.05 0.00 0.00 0.00 0.00 17.79 20.50 3a0h h ALA 38 CO -0.12 -0.77 -0.16 -0.07 0.00 0.00 0.00 179.25 178.12 3a0h h LEU 39 N -0.31 -0.51 -0.04 0.00 3.38 0.37 -0.05 115.31 118.16 3a0h h LEU 39 Ca 0.15 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.21 3a0h h LEU 39 Cb 0.55 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 3a0h h LEU 39 CO -0.50 -0.21 -0.07 0.22 0.09 0.00 0.00 178.44 177.97 3a0h h TYR 40 N -0.20 -0.22 -1.03 1.13 5.03 0.66 1.07 116.97 123.40 3a0h h TYR 40 Ca 0.10 0.01 0.28 0.00 2.58 0.00 0.00 58.73 61.69 3a0h h TYR 40 Cb 0.34 0.10 -0.12 0.00 1.55 0.00 0.00 36.73 38.60 3a0h h TYR 40 CO -0.28 -0.07 0.63 0.93 -1.32 0.00 0.00 178.16 178.05 3a0h h GLU 41 N -0.06 0.44 0.00 1.82 5.08 0.14 1.74 114.58 123.74 3a0h h GLU 41 Ca 0.01 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 3a0h h GLU 41 Cb 0.08 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3a0h h GLU 41 CO -0.07 0.29 -0.25 1.25 -1.00 0.00 0.00 179.01 179.23 3a0h h LEU 42 N 0.46 0.00 0.00 1.33 5.85 0.11 0.56 115.31 123.61 3a0h h LEU 42 Ca 0.66 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.38 3a0h h LEU 42 Cb 1.46 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.49 3a0h h LEU 42 CO -0.44 0.25 0.00 0.00 -0.34 0.00 0.00 178.44 177.91 3a0h n ALA 43 N -2.44 2.58 0.00 1.25 0.00 0.59 -4.04 120.51 118.45 3a0h n ALA 43 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3a0h n ALA 43 Cb 0.32 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3a0h n ALA 43 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3a0h n THR 44 N -0.94 0.00 -1.69 0.00 -1.04 -0.05 -5.05 114.28 105.51 3a0h n THR 44 Ca 0.20 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.77 3a0h n THR 44 Cb 0.09 0.01 -0.01 0.00 -1.82 0.00 0.00 70.33 68.60 3a0h n THR 44 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 3a0h n PHE 45 N -0.26 2.25 -4.60 -1.42 7.35 0.18 -4.96 117.46 116.00 3a0h n PHE 45 Ca 0.00 0.51 -0.34 0.00 -0.76 0.00 0.00 57.45 56.87 3a0h n PHE 45 Cb 0.01 -2.43 -0.12 0.00 0.35 0.00 0.00 39.48 37.29 3a0h n PHE 45 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3a0h s ASP 46 N -0.13 4.52 -0.14 -2.13 -1.08 -1.26 -5.00 116.67 111.46 3a0h s ASP 46 Ca 0.59 -0.14 0.17 0.00 -0.52 0.00 0.00 52.55 52.66 3a0h s ASP 46 Cb -0.59 -1.46 -0.25 0.00 -1.46 0.00 0.00 42.92 39.16 3a0h s ASP 46 CO 0.58 0.25 0.27 -0.81 0.52 0.00 0.00 175.17 175.98 3a0h n PRO 47 N 2.96 0.67 0.00 4.34 -0.04 -1.26 -4.66 135.00 137.01 3a0h n PRO 47 Ca -0.18 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 3a0h n PRO 47 Cb 0.53 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 3a0h n PRO 47 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3a0h n SER 48 N -2.76 0.00 -3.39 3.54 3.41 -1.26 -3.59 113.62 109.58 3a0h n SER 48 Ca -0.25 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.24 3a0h n SER 48 Cb 1.05 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.91 3a0h n SER 48 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 3a0h s ASP 49 N -4.32 0.60 0.00 4.04 1.47 -1.26 -4.95 116.67 112.26 3a0h s ASP 49 Ca 0.00 0.04 0.19 0.00 1.18 0.00 0.00 52.55 53.96 3a0h s ASP 49 Cb 0.00 0.90 1.13 0.00 -0.34 0.00 0.00 42.92 44.61 3a0h s ASP 49 CO 0.00 -0.31 1.65 -2.65 0.68 0.00 0.00 175.17 174.53 3a0h n PRO 50 N 5.35 0.88 -0.05 2.11 -0.02 -1.24 -1.38 135.00 140.66 3a0h n PRO 50 Ca -0.04 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.41 3a0h n PRO 50 Cb 0.50 -1.33 -0.01 0.00 -0.02 0.00 0.00 33.50 32.63 3a0h n PRO 50 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3a0h h VAL 51 N 0.00 0.00 -0.09 -1.45 2.07 -1.92 -3.41 116.25 111.45 3a0h h VAL 51 Ca 0.00 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.78 3a0h h VAL 51 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 3a0h h VAL 51 CO 0.00 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.77 3a0h n LEU 52 N -4.02 2.00 -2.98 2.57 4.77 -1.25 -4.65 117.00 113.45 3a0h n LEU 52 Ca -0.04 -1.40 -0.16 0.00 -0.03 0.00 0.00 56.01 54.37 3a0h n LEU 52 Cb 0.16 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 3a0h n LEU 52 CO 0.07 0.45 -0.15 -3.20 -1.33 0.00 0.00 177.39 173.23 3a0h n ASN 53 N 0.30 1.47 -4.84 -1.43 5.15 -0.48 -4.33 115.26 111.11 3a0h n ASN 53 Ca 0.05 -3.00 -0.32 0.00 -0.60 0.00 0.00 54.58 50.72 3a0h n ASN 53 Cb 0.25 -0.58 0.01 0.00 -0.53 0.00 0.00 39.78 38.93 3a0h n ASN 53 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 3a0h s PRO 54 N -2.77 3.48 0.00 1.20 0.02 -1.22 -4.48 135.00 131.23 3a0h s PRO 54 Ca 0.37 0.94 0.00 0.00 0.02 0.00 0.00 61.00 62.33 3a0h s PRO 54 Cb 0.38 -2.06 0.00 0.00 0.02 0.00 0.00 34.50 32.84 3a0h s PRO 54 CO -0.05 -0.66 0.74 0.00 -0.33 0.00 0.00 177.00 176.69 3a0h n MET 55 N -2.40 0.00 -0.36 5.54 0.00 -1.26 -1.89 117.12 116.75 3a0h n MET 55 Ca 0.07 0.74 0.29 0.00 0.00 0.00 0.00 57.70 58.80 3a0h n MET 55 Cb 0.54 -1.12 0.45 0.00 0.00 0.00 0.00 33.22 33.09 3a0h n MET 55 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 175.97 173.30 3a0h n TRP 56 N -2.68 0.00 -0.04 3.17 4.27 -1.26 0.12 117.44 121.02 3a0h n TRP 56 Ca 0.00 0.00 -0.15 0.00 -3.89 0.00 0.00 57.50 53.46 3a0h n TRP 56 Cb 0.00 -0.27 -0.13 0.00 -1.36 0.00 0.00 31.31 29.55 3a0h n TRP 56 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3a0h h ARG 57 N 0.00 0.08 0.00 -2.67 3.08 -1.74 -3.26 114.38 109.87 3a0h h ARG 57 Ca 0.51 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.44 3a0h h ARG 57 Cb 2.21 0.04 0.00 0.00 0.08 0.00 0.00 29.97 32.30 3a0h h ARG 57 CO -0.01 0.98 0.00 1.04 -1.07 0.00 0.00 179.97 180.92 3a0h n GLN 58 N -4.53 0.00 -2.92 0.04 6.02 0.32 -1.81 117.38 114.49 3a0h n GLN 58 Ca -0.10 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.78 3a0h n GLN 58 Cb 0.52 -1.15 0.04 0.00 1.02 0.00 0.00 30.24 30.67 3a0h n GLN 58 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3a0h n GLY 59 N -0.58 0.11 3.74 1.08 0.00 -1.22 -4.76 105.19 103.55 3a0h n GLY 59 Ca 0.00 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 3a0h n GLY 59 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3a0h s MET 60 N -5.24 4.31 -0.01 1.61 -1.94 -1.25 -4.87 119.30 111.90 3a0h s MET 60 Ca 0.17 0.55 0.00 0.00 -1.71 0.00 0.00 55.69 54.70 3a0h s MET 60 Cb -0.07 -3.40 -0.01 0.00 2.01 0.00 0.00 34.83 33.36 3a0h s MET 60 CO 0.38 0.23 -0.01 0.34 -0.01 0.00 0.00 175.02 175.95 3a0h n PHE 61 N 3.34 0.00 -0.08 -0.03 7.35 -1.26 -4.61 117.46 122.17 3a0h n PHE 61 Ca -0.07 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.52 3a0h n PHE 61 Cb 0.51 -0.05 -0.15 0.00 0.35 0.00 0.00 39.48 40.14 3a0h n PHE 61 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 3a0h n VAL 62 N -2.52 1.46 0.24 -2.13 0.31 -1.26 -4.19 118.33 110.24 3a0h n VAL 62 Ca -0.02 -0.83 0.11 0.00 -0.01 0.00 0.00 64.34 63.59 3a0h n VAL 62 Cb 0.53 -0.67 0.53 0.00 -0.91 0.00 0.00 33.84 33.31 3a0h n VAL 62 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3a0h h LEU 63 N 0.00 0.00 -1.53 7.52 6.46 -1.93 -3.09 115.31 122.75 3a0h h LEU 63 Ca -0.48 0.00 0.15 0.00 -0.12 0.00 0.00 57.88 57.43 3a0h h LEU 63 Cb 2.17 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 42.05 3a0h h LEU 63 CO 0.04 0.18 0.52 -0.65 -0.62 0.00 0.00 178.44 177.91 3a0h h PRO 64 N 0.00 0.45 -0.24 5.25 0.11 -1.85 -2.38 132.00 133.34 3a0h h PRO 64 Ca -0.00 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.02 3a0h h PRO 64 Cb 0.66 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 3a0h h PRO 64 CO 0.02 0.30 -0.10 0.74 -0.21 0.00 0.00 178.00 178.76 3a0h h PHE 65 N 0.46 0.56 -0.07 0.65 0.04 -1.80 -3.18 116.94 113.61 3a0h h PHE 65 Ca 0.39 -0.13 0.02 0.00 2.80 0.00 0.00 57.97 61.04 3a0h h PHE 65 Cb 0.84 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.85 3a0h h PHE 65 CO -0.00 0.74 0.70 0.52 -0.60 0.00 0.00 178.31 179.67 3a0h h MET 66 N 0.22 0.00 0.01 1.51 2.86 -1.56 0.78 114.93 118.75 3a0h h MET 66 Ca 0.06 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.61 3a0h h MET 66 Cb 0.58 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 3a0h h MET 66 CO 0.03 0.00 -0.49 0.00 1.06 0.00 0.00 176.91 177.51 3a0h h ALA 67 N 0.67 0.09 -0.55 6.32 0.00 -1.62 1.11 119.26 125.28 3a0h h ALA 67 Ca 0.03 -0.76 0.06 0.00 0.00 0.00 0.00 54.91 54.24 3a0h h ALA 67 Cb 1.43 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 19.40 3a0h h ALA 67 CO -0.00 0.27 -0.50 0.00 0.00 0.00 0.00 179.25 179.02 3a0h h ARG 68 N -0.96 -0.21 -0.13 0.00 2.47 0.52 0.18 114.38 116.25 3a0h h ARG 68 Ca -0.13 0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.62 3a0h h ARG 68 Cb 1.14 0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.51 3a0h h ARG 68 CO -0.06 -0.14 0.09 -0.07 0.56 0.00 0.00 179.97 180.35 3a0h h LEU 69 N -0.22 0.09 0.00 3.04 4.07 -1.67 0.12 115.31 120.75 3a0h h LEU 69 Ca 0.09 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.05 3a0h h LEU 69 Cb 0.46 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.18 3a0h h LEU 69 CO -0.63 0.07 0.00 0.61 -1.08 0.00 0.00 178.44 177.40 3a0h n GLY 70 N -1.54 1.02 3.56 0.83 0.00 0.63 -4.64 105.19 105.05 3a0h n GLY 70 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3a0h n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a0h s VAL 71 N -0.15 3.40 -0.11 1.61 1.01 0.38 -4.78 120.40 121.76 3a0h s VAL 71 Ca 0.00 0.27 0.16 0.00 0.00 0.00 0.00 61.98 62.41 3a0h s VAL 71 Cb 0.00 -3.93 -0.17 0.00 0.00 0.00 0.00 36.38 32.28 3a0h s VAL 71 CO 0.00 -0.86 0.73 0.35 0.00 0.00 0.00 175.10 175.32 3a0h n THR 72 N 7.22 1.25 -4.48 3.92 -2.24 -1.26 -3.68 114.28 115.00 3a0h n THR 72 Ca 0.20 -0.72 -0.23 0.00 -2.27 0.00 0.00 64.05 61.03 3a0h n THR 72 Cb 0.51 -0.76 -0.09 0.00 -2.10 0.00 0.00 70.33 67.89 3a0h n THR 72 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3a0h s GLY 73 N -4.89 2.33 0.09 3.38 0.00 -1.26 -1.53 107.32 105.44 3a0h s GLY 73 Ca -0.04 -1.59 0.07 0.00 0.00 0.00 0.00 44.72 43.16 3a0h s GLY 73 CO 0.82 -1.81 -0.14 -0.45 0.00 0.00 0.00 173.10 171.52 3a0h s SER 74 N -3.54 4.16 0.00 1.64 0.15 -0.98 -2.63 113.70 112.49 3a0h s SER 74 Ca 0.30 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.51 3a0h s SER 74 Cb 0.05 -0.72 0.00 0.00 -1.71 0.00 0.00 66.02 63.64 3a0h s SER 74 CO 0.15 0.20 0.34 0.79 1.20 0.00 0.00 173.24 175.91 3a0h n TRP 75 N 0.92 0.00 -1.18 3.44 7.02 -1.26 -2.44 117.44 123.95 3a0h n TRP 75 Ca -0.15 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 56.07 3a0h n TRP 75 Cb 0.52 -0.02 0.14 0.00 -2.42 0.00 0.00 31.31 29.54 3a0h n TRP 75 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 3a0h n SER 76 N -0.84 4.94 0.00 -0.99 7.64 -1.26 -4.93 113.62 118.18 3a0h n SER 76 Ca 0.00 -3.59 0.00 0.00 1.01 0.00 0.00 58.87 56.29 3a0h n SER 76 Cb 0.01 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 3a0h n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3a0h n GLY 77 N -0.99 0.18 3.50 0.23 0.00 -1.02 -5.00 105.19 102.09 3a0h n GLY 77 Ca 0.58 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.36 3a0h n GLY 77 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3a0h s TRP 78 N -1.37 2.27 0.20 1.61 1.48 -1.25 -4.41 118.94 117.47 3a0h s TRP 78 Ca 0.00 -0.51 0.03 0.00 -1.06 0.00 0.00 56.10 54.56 3a0h s TRP 78 Cb 0.00 -1.24 -0.01 0.00 -1.16 0.00 0.00 33.47 31.06 3a0h s TRP 78 CO 0.00 0.54 0.12 0.45 -4.06 0.00 0.00 176.95 174.00 3a0h n SER 79 N -0.71 0.29 0.02 -2.66 2.88 -1.26 -2.32 113.62 109.85 3a0h n SER 79 Ca -0.05 -2.20 0.11 0.00 -1.33 0.00 0.00 58.87 55.39 3a0h n SER 79 Cb 0.63 0.76 -0.06 0.00 -0.75 0.00 0.00 64.21 64.79 3a0h n SER 79 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3a0h n ILE 80 N -0.42 0.12 0.08 2.46 5.41 -0.58 -3.94 119.36 122.48 3a0h n ILE 80 Ca 0.01 -0.29 -0.19 0.00 1.00 0.00 0.00 62.75 63.28 3a0h n ILE 80 Cb 0.33 0.26 -0.15 0.00 -0.71 0.00 0.00 39.64 39.38 3a0h n ILE 80 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 3a0h h THR 81 N 0.00 1.16 0.00 1.39 2.02 -1.92 -3.46 112.91 112.09 3a0h h THR 81 Ca 0.00 -2.75 0.00 0.00 0.77 0.00 0.00 66.41 64.43 3a0h h THR 81 Cb 0.78 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 70.01 3a0h h THR 81 CO 0.00 0.83 0.00 0.61 0.37 0.00 0.00 175.52 177.33 3a0h n GLY 82 N 1.70 0.91 3.94 2.16 0.00 -1.25 -4.91 105.19 107.73 3a0h n GLY 82 Ca -0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 3a0h n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a0h s GLU 83 N 0.19 1.54 0.00 1.61 8.01 -1.26 -4.95 118.70 123.85 3a0h s GLU 83 Ca 0.00 -0.46 -0.06 0.00 0.01 0.00 0.00 54.97 54.46 3a0h s GLU 83 Cb 0.00 -2.08 -0.00 0.00 -4.31 0.00 0.00 34.13 27.74 3a0h s GLU 83 CO 0.00 -1.71 0.12 0.95 0.01 0.00 0.00 175.26 174.63 3a0h s THR 84 N -3.47 0.08 0.00 3.63 -4.23 -1.26 -4.39 115.64 106.01 3a0h s THR 84 Ca 0.66 -0.70 0.00 0.00 -1.18 0.00 0.00 61.69 60.47 3a0h s THR 84 Cb -0.07 -0.41 0.00 0.00 1.34 0.00 0.00 72.50 73.36 3a0h s THR 84 CO 0.48 -0.39 0.00 0.61 -0.54 0.00 0.00 174.62 174.78 3a0h n GLY 85 N 1.50 1.14 3.43 3.99 0.00 -1.26 -4.90 105.19 109.09 3a0h n GLY 85 Ca -0.23 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.36 3a0h n GLY 85 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3a0h s ILE 86 N -0.09 5.11 -0.20 -0.61 -4.36 -1.26 -5.05 121.20 114.73 3a0h s ILE 86 Ca 0.00 -0.70 -0.03 0.00 -0.26 0.00 0.00 60.65 59.67 3a0h s ILE 86 Cb 0.00 -4.13 -0.01 0.00 1.25 0.00 0.00 42.46 39.57 3a0h s ILE 86 CO 0.00 -0.57 -0.07 1.51 0.24 0.00 0.00 174.94 176.04 3a0h s ASP 87 N 2.34 4.17 1.07 4.36 1.47 -1.26 -4.85 116.67 123.95 3a0h s ASP 87 Ca 0.09 -0.39 -0.20 0.00 1.18 0.00 0.00 52.55 53.24 3a0h s ASP 87 Cb -0.21 -1.69 0.02 0.00 -0.34 0.00 0.00 42.92 40.70 3a0h s ASP 87 CO 0.10 0.03 -0.30 -2.65 0.68 0.00 0.00 175.17 173.03 3a0h n PRO 88 N 4.46 -1.00 0.00 2.11 -0.02 -1.26 -5.02 135.00 134.27 3a0h n PRO 88 Ca -0.18 -0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.02 3a0h n PRO 88 Cb 0.51 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 3a0h n PRO 88 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a0h n GLY 89 N 2.33 -1.21 0.33 -1.23 0.00 -1.26 -4.84 105.19 99.30 3a0h n GLY 89 Ca 0.01 -1.64 0.26 0.00 0.00 0.00 0.00 46.02 44.65 3a0h n GLY 89 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3a0h h PHE 90 N -0.87 0.90 -0.17 1.61 -0.00 -2.03 -3.04 116.94 113.33 3a0h h PHE 90 Ca 0.00 0.04 -0.64 0.00 -0.00 0.00 0.00 57.97 57.36 3a0h h PHE 90 Cb 0.00 -0.23 -0.01 0.00 -0.00 0.00 0.00 35.95 35.71 3a0h h PHE 90 CO 0.00 -0.26 2.48 0.91 -0.00 0.00 0.00 178.31 181.45 3a0h n TRP 91 N -5.11 2.99 -4.21 0.41 8.01 -1.26 -3.67 117.44 114.60 3a0h n TRP 91 Ca 0.33 -2.37 -0.19 0.00 -1.31 0.00 0.00 57.50 53.97 3a0h n TRP 91 Cb 1.06 -2.26 -0.15 0.00 -2.01 0.00 0.00 31.31 27.94 3a0h n TRP 91 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 3a0h s SER 92 N 4.35 0.87 0.00 -0.99 0.15 -1.15 -4.88 113.70 112.05 3a0h s SER 92 Ca 0.54 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 57.06 3a0h s SER 92 Cb 0.11 -0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 3a0h s SER 92 CO 0.03 0.01 0.00 0.49 1.20 0.00 0.00 173.24 174.98 3a0h n PHE 93 N 3.50 0.00 -0.11 3.44 3.72 -1.08 0.32 117.46 127.26 3a0h n PHE 93 Ca -0.20 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.13 3a0h n PHE 93 Cb 0.54 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.06 3a0h n PHE 93 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3a0h h GLU 94 N 0.00 -0.25 0.12 -1.08 3.07 -1.88 -1.24 114.58 113.32 3a0h h GLU 94 Ca 0.00 0.02 0.01 0.00 -0.50 0.00 0.00 59.36 58.88 3a0h h GLU 94 Cb 0.00 0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 27.93 3a0h h GLU 94 CO 0.00 -0.17 -0.42 0.78 -1.40 0.00 0.00 179.01 177.80 3a0h h GLY 95 N -0.26 -1.18 -1.37 -3.84 0.00 0.52 1.25 103.07 98.19 3a0h h GLY 95 Ca 0.17 0.62 0.47 0.00 0.00 0.00 0.00 47.33 48.59 3a0h h GLY 95 CO -0.52 -0.31 0.88 -0.62 0.00 0.00 0.00 176.54 175.97 3a0h n VAL 96 N -4.86 -0.24 -0.05 4.60 0.31 -0.81 0.27 118.33 117.54 3a0h n VAL 96 Ca -0.07 1.77 -0.02 0.00 -0.01 0.00 0.00 64.34 66.01 3a0h n VAL 96 Cb 0.33 -2.91 -0.01 0.00 -0.91 0.00 0.00 33.84 30.35 3a0h n VAL 96 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3a0h h ALA 97 N 1.56 0.00 0.00 3.52 0.00 0.08 -2.71 119.26 121.70 3a0h h ALA 97 Ca 0.87 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.49 3a0h h ALA 97 Cb 2.82 0.26 0.00 0.00 0.00 0.00 0.00 17.79 20.87 3a0h h ALA 97 CO -0.45 0.26 0.59 1.25 0.00 0.00 0.00 179.25 180.90 3a0h h LEU 98 N -0.83 0.00 0.00 0.00 7.12 0.33 0.92 115.31 122.85 3a0h h LEU 98 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 3a0h h LEU 98 Cb 0.26 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.39 3a0h h LEU 98 CO 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 178.44 178.31 3a0h n ALA 99 N -1.66 0.00 -0.00 1.25 0.00 0.77 -3.10 120.51 117.77 3a0h n ALA 99 Ca -0.01 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.62 3a0h n ALA 99 Cb 0.62 0.00 0.39 0.00 0.00 0.00 0.00 19.45 20.45 3a0h n ALA 99 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3a0h h HIS 100 N 0.00 0.00 -0.38 0.00 3.86 -1.00 1.03 115.15 118.66 3a0h h HIS 100 Ca 0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 3a0h h HIS 100 Cb 0.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 3a0h h HIS 100 CO 0.00 0.00 -0.01 0.82 0.86 0.00 0.00 177.93 179.60 3a0h h ILE 101 N 0.00 1.26 -0.04 2.45 1.08 -0.95 -2.32 117.51 118.98 3a0h h ILE 101 Ca 0.30 -1.02 -0.22 0.00 -0.39 0.00 0.00 64.86 63.53 3a0h h ILE 101 Cb 2.33 1.16 0.00 0.00 -3.07 0.00 0.00 36.82 37.24 3a0h h ILE 101 CO -0.00 0.34 -0.86 -0.37 -0.69 0.00 0.00 178.15 176.57 3a0h h VAL 102 N 0.51 1.37 0.00 1.67 -1.51 0.12 -2.85 116.25 115.55 3a0h h VAL 102 Ca 0.11 -2.27 0.00 0.00 -1.23 0.00 0.00 66.70 63.31 3a0h h VAL 102 Cb 0.49 2.26 0.00 0.00 -2.13 0.00 0.00 31.29 31.91 3a0h h VAL 102 CO 0.02 0.69 0.00 -0.11 -1.23 0.00 0.00 177.57 176.94 3a0h n LEU 103 N -3.81 0.00 -0.34 4.19 7.94 -0.83 -1.43 117.00 122.72 3a0h n LEU 103 Ca -0.06 0.51 0.16 0.00 -1.11 0.00 0.00 56.01 55.50 3a0h n LEU 103 Cb 0.79 -0.01 0.31 0.00 0.53 0.00 0.00 43.42 45.04 3a0h n LEU 103 CO 0.51 -0.01 0.81 -1.54 -1.11 0.00 0.00 177.39 176.05 3a0h n SER 104 N -0.75 -0.09 -0.26 1.96 3.41 -0.89 0.12 113.62 117.12 3a0h n SER 104 Ca 0.00 1.69 0.25 0.00 -0.26 0.00 0.00 58.87 60.55 3a0h n SER 104 Cb 0.00 -0.63 0.60 0.00 -0.26 0.00 0.00 64.21 63.92 3a0h n SER 104 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3a0h h GLY 105 N 0.00 0.63 0.47 5.00 0.00 -1.19 0.15 103.07 108.14 3a0h h GLY 105 Ca 0.62 -0.12 -0.32 0.00 0.00 0.00 0.00 47.33 47.51 3a0h h GLY 105 CO -0.93 -0.04 -1.71 1.41 0.00 0.00 0.00 176.54 175.27 3a0h h LEU 106 N 0.24 0.32 -2.08 3.11 3.38 0.22 -3.31 115.31 117.19 3a0h h LEU 106 Ca 0.51 -0.83 0.07 0.00 0.09 0.00 0.00 57.88 57.72 3a0h h LEU 106 Cb 1.56 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 3a0h h LEU 106 CO -0.15 1.73 0.34 -0.07 0.09 0.00 0.00 178.44 180.38 3a0h h LEU 107 N -0.25 0.00 -1.08 1.67 3.38 -0.17 1.62 115.31 120.47 3a0h h LEU 107 Ca -0.38 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.49 3a0h h LEU 107 Cb 1.82 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 3a0h h LEU 107 CO 0.02 0.00 -0.45 0.15 0.09 0.00 0.00 178.44 178.24 3a0h h PHE 108 N 0.00 0.00 0.00 1.13 3.57 -0.84 0.38 116.94 121.18 3a0h h PHE 108 Ca 0.11 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 3a0h h PHE 108 Cb 0.79 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.53 3a0h h PHE 108 CO 0.00 0.45 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.44 3a0h h LEU 109 N 0.00 0.00 -1.52 0.59 3.38 0.22 -0.94 115.31 117.04 3a0h h LEU 109 Ca -0.00 -0.43 0.29 0.00 0.09 0.00 0.00 57.88 57.82 3a0h h LEU 109 Cb 0.81 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.48 3a0h h LEU 109 CO 0.06 0.73 0.72 0.00 0.09 0.00 0.00 178.44 180.04 3a0h h ALA 110 N -0.57 2.46 -2.52 1.53 0.00 -1.07 -1.09 119.26 118.01 3a0h h ALA 110 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3a0h h ALA 110 Cb 0.45 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3a0h h ALA 110 CO -0.00 -0.86 0.00 0.00 0.00 0.00 0.00 179.25 178.39 3a0h n ALA 111 N -2.54 -0.06 0.00 0.00 0.00 0.13 -2.08 120.51 115.96 3a0h n ALA 111 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3a0h n ALA 111 Cb 0.99 0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.50 3a0h n ALA 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a0h n TRP 113 N -0.38 0.26 0.00 0.00 -0.00 -0.64 -4.37 117.44 112.31 3a0h n TRP 113 Ca 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 57.50 57.61 3a0h n TRP 113 Cb 0.00 -0.45 0.00 0.00 -0.00 0.00 0.00 31.31 30.86 3a0h n TRP 113 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 177.69 178.41 3a0h n HIS 114 N -3.84 0.00 0.00 5.87 8.25 -0.36 -2.20 115.22 122.95 3a0h n HIS 114 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 3a0h n HIS 114 Cb 0.28 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.39 3a0h n HIS 114 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85 3a0h n TRP 115 N -0.55 0.00 -0.19 4.41 -0.00 -1.25 -3.85 117.44 116.01 3a0h n TRP 115 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.48 3a0h n TRP 115 Cb 0.00 -0.05 0.04 0.00 -0.00 0.00 0.00 31.31 31.30 3a0h n TRP 115 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 3a0h h VAL 116 N 0.00 0.33 -0.51 5.87 2.07 -1.71 0.50 116.25 122.80 3a0h h VAL 116 Ca 0.00 0.00 -0.72 0.00 0.82 0.00 0.00 66.70 66.80 3a0h h VAL 116 Cb 0.00 0.33 -0.07 0.00 -1.52 0.00 0.00 31.29 30.03 3a0h h VAL 116 CO 0.00 0.00 2.88 -1.22 0.02 0.00 0.00 177.57 179.25 3a0h n TYR 117 N -5.43 3.06 -0.04 1.57 4.01 -0.93 -4.49 117.16 114.91 3a0h n TYR 117 Ca 0.06 -2.93 -0.02 0.00 -0.16 0.00 0.00 57.90 54.85 3a0h n TYR 117 Cb 0.33 -2.30 -0.15 0.00 -0.31 0.00 0.00 39.34 36.92 3a0h n TYR 117 CO 0.00 0.00 0.00 -2.67 -0.46 0.00 0.00 176.86 173.73 3a0h n TRP 118 N 4.55 0.24 -3.31 -0.72 4.27 0.16 -4.48 117.44 118.16 3a0h n TRP 118 Ca 0.54 0.08 -0.46 0.00 -3.89 0.00 0.00 57.50 53.78 3a0h n TRP 118 Cb 0.34 -0.88 -0.05 0.00 -1.36 0.00 0.00 31.31 29.36 3a0h n TRP 118 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 3a0h s ASP 119 N -5.29 6.20 0.25 -0.67 2.15 -1.26 -4.22 116.67 113.83 3a0h s ASP 119 Ca -0.08 -1.80 0.12 0.00 0.43 0.00 0.00 52.55 51.22 3a0h s ASP 119 Cb 0.09 -2.21 -0.05 0.00 -0.30 0.00 0.00 42.92 40.45 3a0h s ASP 119 CO 0.85 -0.86 -0.20 -0.76 -0.17 0.00 0.00 175.17 174.03 3a0h s LEU 120 N 1.58 2.58 0.09 -1.34 1.43 -1.26 -5.04 118.68 116.72 3a0h s LEU 120 Ca 0.03 -0.94 -0.33 0.00 -1.03 0.00 0.00 54.13 51.86 3a0h s LEU 120 Cb -0.30 -1.17 -0.15 0.00 0.03 0.00 0.00 46.19 44.60 3a0h s LEU 120 CO 0.03 0.07 1.52 -0.08 0.23 0.00 0.00 176.35 178.11 3a0h h GLU 121 N 2.57 -0.77 -1.69 1.70 4.57 -1.97 -1.41 114.58 117.59 3a0h h GLU 121 Ca -0.43 0.05 0.52 0.00 -1.18 0.00 0.00 59.36 58.33 3a0h h GLU 121 Cb 1.24 0.17 -0.10 0.00 -0.16 0.00 0.00 28.75 29.90 3a0h h GLU 121 CO 0.56 -0.51 1.17 1.25 -1.18 0.00 0.00 179.01 180.30 3a0h h LEU 122 N -0.80 0.09 -0.89 1.64 7.12 -2.01 3.17 115.31 123.63 3a0h h LEU 122 Ca -0.03 0.07 0.00 0.00 0.13 0.00 0.00 57.88 58.05 3a0h h LEU 122 Cb 0.75 0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.95 3a0h h LEU 122 CO -0.20 -0.11 0.00 0.49 -0.13 0.00 0.00 178.44 178.50 3a0h n PHE 123 N -4.29 0.18 -4.08 1.25 0.99 -0.54 -4.77 117.46 106.20 3a0h n PHE 123 Ca 0.42 -0.09 -0.34 0.00 -0.00 0.00 0.00 57.45 57.43 3a0h n PHE 123 Cb 1.79 0.00 -0.14 0.00 -1.00 0.00 0.00 39.48 40.13 3a0h n PHE 123 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3a0h s ARG 124 N -1.82 3.37 0.12 -1.08 1.81 1.06 -3.43 118.95 118.98 3a0h s ARG 124 Ca 0.30 -0.64 -0.30 0.00 -1.72 0.00 0.00 55.73 53.37 3a0h s ARG 124 Cb 0.16 -2.92 -0.06 0.00 -0.45 0.00 0.00 34.95 31.68 3a0h s ARG 124 CO 0.24 -0.11 1.07 0.34 -0.68 0.00 0.00 175.30 176.17 3a0h s ASP 125 N 1.22 7.30 0.00 0.23 -1.08 -1.20 -4.93 116.67 118.20 3a0h s ASP 125 Ca 0.03 1.95 0.00 0.00 -0.52 0.00 0.00 52.55 54.00 3a0h s ASP 125 Cb -0.14 -2.59 0.00 0.00 -1.46 0.00 0.00 42.92 38.73 3a0h s ASP 125 CO -0.02 -0.24 0.15 -0.81 0.52 0.00 0.00 175.17 174.77 3a0h n PRO 126 N 2.98 0.00 -0.61 4.34 -0.04 -1.26 -3.62 135.00 136.79 3a0h n PRO 126 Ca 0.04 0.03 0.48 0.00 -0.04 0.00 0.00 63.50 64.01 3a0h n PRO 126 Cb 0.48 -0.65 0.77 0.00 -0.04 0.00 0.00 33.50 34.05 3a0h n PRO 126 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 3a0h h ARG 127 N 0.00 0.01 -5.96 0.54 -0.00 -1.99 -3.39 114.38 103.59 3a0h h ARG 127 Ca 0.00 -0.00 -0.61 0.00 -0.00 0.00 0.00 59.98 59.37 3a0h h ARG 127 Cb 0.00 -0.00 -0.06 0.00 -0.00 0.00 0.00 29.97 29.91 3a0h h ARG 127 CO 0.00 0.01 -0.23 0.95 -0.00 0.00 0.00 179.97 180.70 3a0h s THR 128 N -5.02 5.09 -1.20 0.08 -4.23 -1.24 -5.01 115.64 104.11 3a0h s THR 128 Ca -0.06 0.78 -0.11 0.00 -1.18 0.00 0.00 61.69 61.11 3a0h s THR 128 Cb 0.28 -3.68 0.20 0.00 1.34 0.00 0.00 72.50 70.64 3a0h s THR 128 CO 0.87 0.57 1.47 0.61 -0.54 0.00 0.00 174.62 177.60 3a0h n GLY 129 N 1.91 3.89 0.00 3.99 0.00 -1.26 -4.60 105.19 109.12 3a0h n GLY 129 Ca -0.14 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.71 3a0h n GLY 129 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3a0h n GLU 130 N 4.52 -0.33 -3.09 1.61 0.28 -1.26 -5.13 120.64 117.24 3a0h n GLU 130 Ca 0.34 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.93 3a0h n GLU 130 Cb 0.40 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.21 3a0h n GLU 130 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 3a0h s PRO 131 N -2.00 3.83 0.04 3.44 0.04 -1.26 -3.26 135.00 135.82 3a0h s PRO 131 Ca 0.00 0.25 0.01 0.00 0.04 0.00 0.00 61.00 61.30 3a0h s PRO 131 Cb 0.00 -3.76 -0.02 0.00 0.04 0.00 0.00 34.50 30.76 3a0h s PRO 131 CO 0.00 -0.65 -0.06 0.00 0.04 0.00 0.00 177.00 176.33 3a0h s ALA 132 N 2.69 0.42 -0.15 8.56 0.00 -1.22 -4.69 121.76 127.37 3a0h s ALA 132 Ca 0.26 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.51 3a0h s ALA 132 Cb -0.15 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.08 3a0h s ALA 132 CO 0.13 -0.08 -0.13 -1.17 0.00 0.00 0.00 175.76 174.51 3a0h s LEU 133 N -1.57 1.65 -0.00 0.00 2.96 -1.26 -4.35 118.68 116.11 3a0h s LEU 133 Ca -0.12 -0.49 -0.30 0.00 -0.22 0.00 0.00 54.13 53.01 3a0h s LEU 133 Cb -0.10 -1.14 -0.05 0.00 0.50 0.00 0.00 46.19 45.40 3a0h s LEU 133 CO -0.00 -0.07 1.33 -0.62 -1.32 0.00 0.00 176.35 175.67 3a0h s ASP 134 N 1.51 6.92 -0.18 3.68 -1.08 -1.26 -4.88 116.67 121.37 3a0h s ASP 134 Ca 0.05 2.05 -0.09 0.00 -0.52 0.00 0.00 52.55 54.03 3a0h s ASP 134 Cb -0.13 -2.56 -0.08 0.00 -1.46 0.00 0.00 42.92 38.69 3a0h s ASP 134 CO -0.10 -0.66 -0.24 0.18 0.52 0.00 0.00 175.17 174.87 3a0h n LEU 135 N 5.11 1.30 0.08 -1.34 4.32 -1.26 -3.47 117.00 121.74 3a0h n LEU 135 Ca 0.12 0.22 0.14 0.00 -0.02 0.00 0.00 56.01 56.47 3a0h n LEU 135 Cb 0.44 -0.54 0.25 0.00 -1.62 0.00 0.00 43.42 41.95 3a0h n LEU 135 CO 0.57 0.38 1.13 -0.65 -1.22 0.00 0.00 177.39 177.60 3a0h h PRO 136 N -0.66 0.00 0.00 3.23 0.11 -1.93 0.19 132.00 132.93 3a0h h PRO 136 Ca -0.46 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 3a0h h PRO 136 Cb 1.40 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.50 3a0h h PRO 136 CO -0.28 0.00 -0.84 1.17 -0.21 0.00 0.00 178.00 177.84 3a0h n LYS 137 N -2.88 0.28 -0.19 1.05 4.81 -1.26 -4.35 118.16 115.62 3a0h n LYS 137 Ca 0.10 0.12 -0.01 0.00 -0.87 0.00 0.00 58.31 57.65 3a0h n LYS 137 Cb 1.20 -0.99 0.01 0.00 0.02 0.00 0.00 35.03 35.26 3a0h n LYS 137 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 3a0h n MET 138 N -3.92 -0.13 0.00 1.64 1.56 -0.18 0.19 117.12 116.29 3a0h n MET 138 Ca -0.13 0.73 0.00 0.00 -0.27 0.00 0.00 57.70 58.03 3a0h n MET 138 Cb 0.38 -1.07 0.00 0.00 2.15 0.00 0.00 33.22 34.67 3a0h n MET 138 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 3a0h n PHE 139 N -4.68 0.00 -0.56 1.12 7.35 0.48 -1.78 117.46 119.40 3a0h n PHE 139 Ca 0.04 0.00 0.44 0.00 -0.76 0.00 0.00 57.45 57.17 3a0h n PHE 139 Cb 0.18 -0.46 0.71 0.00 0.35 0.00 0.00 39.48 40.26 3a0h n PHE 139 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3a0h n GLY 140 N -0.98 -0.87 0.06 7.13 0.00 0.13 -1.10 105.19 109.56 3a0h n GLY 140 Ca 0.00 0.70 -0.03 0.00 0.00 0.00 0.00 46.02 46.70 3a0h n GLY 140 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3a0h h ILE 141 N 0.00 0.00 -1.05 -0.61 2.04 -0.61 -1.31 117.51 115.97 3a0h h ILE 141 Ca 0.87 -0.00 0.33 0.00 1.00 0.00 0.00 64.86 67.06 3a0h h ILE 141 Cb 3.13 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 39.07 3a0h h ILE 141 CO -0.26 0.00 0.62 0.45 0.00 0.00 0.00 178.15 178.97 3a0h h HIS 142 N -0.17 0.84 0.24 1.37 3.86 -0.89 0.27 115.15 120.67 3a0h h HIS 142 Ca -0.02 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3a0h h HIS 142 Cb 0.13 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.34 3a0h h HIS 142 CO 0.20 -0.15 -0.48 1.25 0.86 0.00 0.00 177.93 179.61 3a0h h LEU 143 N 0.30 -1.40 -1.00 2.43 7.12 -0.96 -1.63 115.31 120.16 3a0h h LEU 143 Ca 0.73 0.14 0.38 0.00 0.13 0.00 0.00 57.88 59.26 3a0h h LEU 143 Cb 1.79 0.50 -0.17 0.00 -0.53 0.00 0.00 40.66 42.25 3a0h h LEU 143 CO -0.54 -0.55 0.52 0.15 -0.13 0.00 0.00 178.44 177.89 3a0h h PHE 144 N -0.78 0.82 -0.12 1.25 3.57 0.71 0.46 116.94 122.85 3a0h h PHE 144 Ca -0.03 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 3a0h h PHE 144 Cb 0.74 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 3a0h h PHE 144 CO -0.37 -0.39 -0.09 -0.07 -2.23 0.00 0.00 178.31 175.16 3a0h h LEU 145 N 0.09 0.29 0.00 0.59 3.38 -1.16 -1.41 115.31 117.09 3a0h h LEU 145 Ca 0.80 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3a0h h LEU 145 Cb 2.04 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.71 3a0h h LEU 145 CO -0.73 0.68 0.00 0.00 0.09 0.00 0.00 178.44 178.49 3a0h n ALA 146 N -2.39 -0.05 -0.26 1.53 0.00 0.16 0.60 120.51 120.10 3a0h n ALA 146 Ca -0.06 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.44 3a0h n ALA 146 Cb 0.32 0.19 0.18 0.00 0.00 0.00 0.00 19.45 20.14 3a0h n ALA 146 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3a0h h GLY 147 N 0.00 0.95 -0.24 0.00 0.00 -1.55 1.59 103.07 103.81 3a0h h GLY 147 Ca 0.00 0.05 0.16 0.00 0.00 0.00 0.00 47.33 47.54 3a0h h GLY 147 CO 0.00 -0.28 0.01 -2.00 0.00 0.00 0.00 176.54 174.28 3a0h h LEU 148 N 0.15 -0.31 0.02 3.11 6.46 -0.68 1.16 115.31 125.23 3a0h h LEU 148 Ca 0.43 0.18 -0.00 0.00 -0.12 0.00 0.00 57.88 58.37 3a0h h LEU 148 Cb 0.77 0.31 0.00 0.00 -0.73 0.00 0.00 40.66 41.01 3a0h h LEU 148 CO -0.62 -0.15 -0.01 0.25 -0.62 0.00 0.00 178.44 177.29 3a0h h LEU 149 N 0.12 -0.03 -0.89 2.25 5.85 0.66 0.35 115.31 123.62 3a0h h LEU 149 Ca 0.38 -0.56 0.22 0.00 0.84 0.00 0.00 57.88 58.77 3a0h h LEU 149 Cb 0.65 0.01 -0.13 0.00 0.37 0.00 0.00 40.66 41.56 3a0h h LEU 149 CO -0.61 0.56 0.38 0.00 -0.34 0.00 0.00 178.44 178.42 3a0h h PHE 151 N 0.38 0.10 -1.47 0.00 3.57 0.13 0.14 116.94 119.79 3a0h h PHE 151 Ca 0.56 -0.06 0.43 0.00 3.53 0.00 0.00 57.97 62.43 3a0h h PHE 151 Cb 1.08 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.75 3a0h h PHE 151 CO -0.15 0.88 1.14 0.78 -2.23 0.00 0.00 178.31 178.74 3a0h h GLY 152 N -0.70 0.00 0.00 2.40 0.00 0.26 0.18 103.07 105.22 3a0h h GLY 152 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3a0h h GLY 152 CO 0.02 0.00 -0.51 0.33 0.00 0.00 0.00 176.54 176.39 3a0h n PHE 153 N -3.89 0.92 -0.21 5.60 7.35 0.18 -2.82 117.46 124.59 3a0h n PHE 153 Ca 0.33 0.40 -0.05 0.00 -0.76 0.00 0.00 57.45 57.36 3a0h n PHE 153 Cb 1.60 -0.77 -0.05 0.00 0.35 0.00 0.00 39.48 40.62 3a0h n PHE 153 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3a0h n GLY 154 N 1.62 -1.95 0.10 7.13 0.00 0.50 -0.21 105.19 112.38 3a0h n GLY 154 Ca -0.07 0.72 -0.13 0.00 0.00 0.00 0.00 46.02 46.53 3a0h n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a0h h ALA 155 N 0.04 0.63 0.00 4.61 0.00 -1.30 -3.35 119.26 119.89 3a0h h ALA 155 Ca 0.08 -1.41 0.00 0.00 0.00 0.00 0.00 54.91 53.58 3a0h h ALA 155 Cb 0.20 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3a0h h ALA 155 CO -0.47 1.47 -0.08 0.74 0.00 0.00 0.00 179.25 180.90 3a0h h PHE 156 N 0.03 0.00 0.00 0.00 0.05 -1.28 -3.38 116.94 112.35 3a0h h PHE 156 Ca -0.32 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.47 3a0h h PHE 156 Cb 2.02 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.97 3a0h h PHE 156 CO 0.03 0.00 0.00 1.58 -0.18 0.00 0.00 178.31 179.74 3a0h n HIS 157 N -2.42 0.00 -0.28 -0.55 -0.00 0.70 -0.41 115.22 112.27 3a0h n HIS 157 Ca 0.05 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.34 3a0h n HIS 157 Cb 0.45 0.00 0.21 0.00 -0.12 0.00 0.00 29.99 30.54 3a0h n HIS 157 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 3a0h n LEU 158 N -0.27 -0.13 0.00 0.27 4.77 -1.24 0.90 117.00 121.30 3a0h n LEU 158 Ca 0.00 1.36 0.00 0.00 -0.03 0.00 0.00 56.01 57.34 3a0h n LEU 158 Cb 0.00 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.61 3a0h n LEU 158 CO 0.00 -1.37 0.45 0.35 -1.33 0.00 0.00 177.39 175.49 3a0h n THR 159 N -5.17 1.39 -0.27 -5.08 -2.24 -1.19 -0.71 114.28 101.01 3a0h n THR 159 Ca 0.18 0.41 0.00 0.00 -2.27 0.00 0.00 64.05 62.37 3a0h n THR 159 Cb 0.58 -1.41 0.00 0.00 -2.10 0.00 0.00 70.33 67.40 3a0h n THR 159 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a0h n GLY 160 N -1.33 2.44 0.32 3.38 0.00 0.26 -4.35 105.19 105.91 3a0h n GLY 160 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3a0h n GLY 160 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3a0h h LEU 161 N 0.00 -0.69 -7.01 0.99 5.85 -1.79 -3.34 115.31 109.32 3a0h h LEU 161 Ca 0.00 0.04 -0.62 0.00 0.84 0.00 0.00 57.88 58.14 3a0h h LEU 161 Cb 0.00 0.20 -0.41 0.00 0.37 0.00 0.00 40.66 40.82 3a0h h LEU 161 CO 0.00 -0.45 -0.66 0.12 -0.34 0.00 0.00 178.44 177.11 3a0h s PHE 162 N -6.07 2.95 -2.43 1.25 5.36 0.46 -5.02 117.98 114.47 3a0h s PHE 162 Ca -0.17 -3.05 0.00 0.00 -0.96 0.00 0.00 56.93 52.75 3a0h s PHE 162 Cb 0.04 -2.35 0.00 0.00 -0.34 0.00 0.00 43.02 40.37 3a0h s PHE 162 CO 0.63 -0.65 0.00 0.41 -1.46 0.00 0.00 175.22 174.15 3a0h n GLY 163 N 2.46 0.65 3.92 13.12 0.00 -1.26 -3.91 105.19 120.18 3a0h n GLY 163 Ca 0.18 -2.11 -0.26 0.00 0.00 0.00 0.00 46.02 43.83 3a0h n GLY 163 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3a0h s PRO 164 N -0.97 3.55 0.00 1.61 0.04 -1.26 -4.48 135.00 133.48 3a0h s PRO 164 Ca 0.00 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 60.94 3a0h s PRO 164 Cb 0.00 -2.59 0.00 0.00 0.04 0.00 0.00 34.50 31.95 3a0h s PRO 164 CO 0.00 0.09 0.00 0.41 0.04 0.00 0.00 177.00 177.54 3a0h n GLY 165 N -1.62 -2.25 3.51 0.56 0.00 -1.24 -4.20 105.19 99.95 3a0h n GLY 165 Ca -0.03 -0.30 -0.18 0.00 0.00 0.00 0.00 46.02 45.52 3a0h n GLY 165 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3a0h s MET 166 N 0.00 1.04 0.12 1.61 0.23 -0.45 -4.57 119.30 117.27 3a0h s MET 166 Ca 0.00 0.28 -0.35 0.00 -1.03 0.00 0.00 55.69 54.59 3a0h s MET 166 Cb 0.00 0.49 -0.15 0.00 -1.53 0.00 0.00 34.83 33.64 3a0h s MET 166 CO 0.00 -0.31 1.50 1.87 -2.03 0.00 0.00 175.02 176.04 3a0h n TRP 167 N 1.01 1.98 -3.57 3.16 -0.00 0.42 -3.17 117.44 117.27 3a0h n TRP 167 Ca -0.19 0.41 -0.11 0.00 -0.00 0.00 0.00 57.50 57.62 3a0h n TRP 167 Cb 0.57 -2.46 -0.03 0.00 -0.00 0.00 0.00 31.31 29.39 3a0h n TRP 167 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 3a0h s VAL 168 N 0.86 0.01 0.00 5.87 1.01 0.19 -4.95 120.40 123.40 3a0h s VAL 168 Ca 0.82 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.43 3a0h s VAL 168 Cb -0.79 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 34.31 3a0h s VAL 168 CO 0.42 -0.06 0.00 -1.54 0.00 0.00 0.00 175.10 173.92 3a0h n SER 169 N -0.37 0.00 -3.64 3.32 3.41 -1.26 0.31 113.62 115.40 3a0h n SER 169 Ca -0.14 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.40 3a0h n SER 169 Cb 0.63 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.52 3a0h n SER 169 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3a0h s ASP 170 N 2.00 -0.43 0.00 4.04 -0.00 -1.26 -4.98 116.67 116.04 3a0h s ASP 170 Ca 0.00 0.81 0.00 0.00 -0.00 0.00 0.00 52.55 53.36 3a0h s ASP 170 Cb 0.00 0.86 0.00 0.00 -0.00 0.00 0.00 42.92 43.78 3a0h s ASP 170 CO 0.00 -0.14 0.00 -0.81 -0.00 0.00 0.00 175.17 174.22 3a0h n PRO 171 N 2.35 0.00 -4.30 8.23 -0.04 -1.26 -4.41 135.00 135.57 3a0h n PRO 171 Ca -0.13 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.17 3a0h n PRO 171 Cb 0.56 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.92 3a0h n PRO 171 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3a0h s TYR 172 N 0.00 1.46 0.00 0.54 6.14 -1.26 -4.85 117.35 119.38 3a0h s TYR 172 Ca 0.00 -1.10 0.00 0.00 0.64 0.00 0.00 57.07 56.61 3a0h s TYR 172 Cb 0.00 -0.85 0.00 0.00 0.42 0.00 0.00 41.96 41.53 3a0h s TYR 172 CO 0.00 -0.26 0.00 0.41 0.64 0.00 0.00 175.55 176.34 3a0h n GLY 173 N -0.40 1.74 3.76 8.97 0.00 -1.26 -2.56 105.19 115.44 3a0h n GLY 173 Ca -0.02 0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 3a0h n GLY 173 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a0h s LEU 174 N 0.00 4.07 -0.40 0.99 1.02 -1.26 -3.81 118.68 119.29 3a0h s LEU 174 Ca 0.00 2.66 0.04 0.00 0.02 0.00 0.00 54.13 56.85 3a0h s LEU 174 Cb 0.00 -4.06 0.45 0.00 0.02 0.00 0.00 46.19 42.60 3a0h s LEU 174 CO 0.00 -1.09 1.42 0.35 0.02 0.00 0.00 176.35 177.05 3a0h n THR 175 N -0.32 2.82 -0.93 5.49 -2.24 -1.06 -5.04 114.28 113.00 3a0h n THR 175 Ca 0.06 -3.93 -0.34 0.00 -2.27 0.00 0.00 64.05 57.58 3a0h n THR 175 Cb 0.44 -1.15 0.11 0.00 -2.10 0.00 0.00 70.33 67.63 3a0h n THR 175 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a0h n GLY 176 N -0.75 -1.74 3.76 3.38 0.00 -1.26 -4.85 105.19 103.73 3a0h n GLY 176 Ca 0.49 -0.64 -0.00 0.00 0.00 0.00 0.00 46.02 45.86 3a0h n GLY 176 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3a0h s SER 177 N -1.90 -0.07 -0.40 1.61 0.15 0.15 -4.93 113.70 108.31 3a0h s SER 177 Ca 0.60 -0.32 -0.10 0.00 0.70 0.00 0.00 55.95 56.84 3a0h s SER 177 Cb -0.25 0.31 0.06 0.00 -1.71 0.00 0.00 66.02 64.43 3a0h s SER 177 CO 0.64 -0.58 0.24 0.54 1.20 0.00 0.00 173.24 175.28 3a0h s VAL 178 N -2.54 4.30 0.30 4.45 0.11 -1.26 0.57 120.40 126.33 3a0h s VAL 178 Ca 0.17 -1.24 0.06 0.00 -2.93 0.00 0.00 61.98 58.05 3a0h s VAL 178 Cb 0.01 -3.56 -0.06 0.00 -1.53 0.00 0.00 36.38 31.24 3a0h s VAL 178 CO -0.00 -0.42 -0.04 -1.10 -3.33 0.00 0.00 175.10 170.21 3a0h s GLN 179 N 1.46 1.61 0.36 1.54 -0.21 -1.19 -4.57 119.66 118.66 3a0h s GLN 179 Ca 0.02 -1.84 -0.26 0.00 0.02 0.00 0.00 55.36 53.30 3a0h s GLN 179 Cb -0.22 -1.18 -0.09 0.00 1.00 0.00 0.00 33.01 32.52 3a0h s GLN 179 CO 0.03 0.00 1.14 -1.25 -2.12 0.00 0.00 175.29 173.09 3a0h s PRO 180 N -3.74 4.26 -0.04 2.91 0.04 -1.26 -1.34 135.00 135.81 3a0h s PRO 180 Ca 0.31 1.79 0.04 0.00 0.04 0.00 0.00 61.00 63.18 3a0h s PRO 180 Cb 0.05 -2.82 -0.03 0.00 0.04 0.00 0.00 34.50 31.75 3a0h s PRO 180 CO 0.13 -0.13 -0.14 0.08 0.04 0.00 0.00 177.00 176.99 3a0h s VAL 181 N -1.37 3.12 -0.33 -0.36 1.01 0.11 -4.91 120.40 117.68 3a0h s VAL 181 Ca 0.53 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.68 3a0h s VAL 181 Cb -0.30 -2.24 -0.00 0.00 0.00 0.00 0.00 36.38 33.84 3a0h s VAL 181 CO 0.38 0.57 0.18 0.00 0.00 0.00 0.00 175.10 176.22 3a0h s ALA 182 N -0.76 3.31 -0.04 5.51 0.00 -1.26 -3.13 121.76 125.38 3a0h s ALA 182 Ca 0.12 -1.45 -0.34 0.00 0.00 0.00 0.00 51.96 50.30 3a0h s ALA 182 Cb -0.11 -2.46 -0.12 0.00 0.00 0.00 0.00 23.12 20.44 3a0h s ALA 182 CO 0.01 -1.00 1.86 -0.35 0.00 0.00 0.00 175.76 176.27 3a0h n PRO 183 N 5.00 2.27 -3.89 0.00 -0.04 -1.26 -4.68 135.00 132.40 3a0h n PRO 183 Ca -0.13 0.83 -0.35 0.00 -0.04 0.00 0.00 63.50 63.80 3a0h n PRO 183 Cb 0.49 -2.68 -0.14 0.00 -0.04 0.00 0.00 33.50 31.13 3a0h n PRO 183 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3a0h s GLU 184 N 3.70 2.91 0.01 0.54 2.12 -1.26 -4.87 118.70 121.86 3a0h s GLU 184 Ca 0.90 -0.94 0.26 0.00 0.36 0.00 0.00 54.97 55.55 3a0h s GLU 184 Cb -0.66 -3.13 0.68 0.00 0.26 0.00 0.00 34.13 31.28 3a0h s GLU 184 CO 0.49 -0.42 1.54 0.91 -0.54 0.00 0.00 175.26 177.23 3a0h n TRP 185 N 4.74 0.05 -0.82 5.30 7.02 -1.26 -4.29 117.44 128.17 3a0h n TRP 185 Ca -0.16 0.01 -0.35 0.00 -1.02 0.00 0.00 57.50 55.99 3a0h n TRP 185 Cb 0.47 -0.34 0.11 0.00 -2.42 0.00 0.00 31.31 29.13 3a0h n TRP 185 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3a0h n GLY 186 N 1.49 -2.78 0.38 6.99 0.00 -1.26 -4.69 105.19 105.32 3a0h n GLY 186 Ca 0.06 -0.53 0.16 0.00 0.00 0.00 0.00 46.02 45.71 3a0h n GLY 186 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3a0h h PRO 187 N -1.58 0.47 0.00 1.61 0.13 -2.05 -1.90 132.00 128.68 3a0h h PRO 187 Ca -0.47 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3a0h h PRO 187 Cb 1.37 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3a0h h PRO 187 CO 0.31 0.31 0.00 -3.47 -0.23 0.00 0.00 178.00 174.92 3a0h n ASP 188 N -4.51 0.00 0.00 1.44 2.03 -1.26 -2.16 116.55 112.08 3a0h n ASP 188 Ca 0.17 -0.85 0.14 0.00 0.52 0.00 0.00 54.79 54.77 3a0h n ASP 188 Cb 0.58 0.00 0.72 0.00 -0.72 0.00 0.00 41.12 41.69 3a0h n ASP 188 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3a0h n GLY 189 N -0.04 -1.12 0.00 0.27 0.00 -0.71 -2.44 105.19 101.15 3a0h n GLY 189 Ca 0.02 -0.14 0.09 0.00 0.00 0.00 0.00 46.02 45.99 3a0h n GLY 189 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3a0h n PHE 190 N -1.22 0.00 -1.92 1.61 3.01 -0.92 -4.38 117.46 113.64 3a0h n PHE 190 Ca 0.15 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.29 3a0h n PHE 190 Cb 0.19 -0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 39.61 3a0h n PHE 190 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 3a0h s ASN 191 N -2.74 4.95 0.20 4.37 3.04 -1.02 -4.74 114.94 119.00 3a0h s ASN 191 Ca 0.06 0.10 0.08 0.00 0.04 0.00 0.00 52.86 53.15 3a0h s ASN 191 Cb 0.14 -2.54 0.65 0.00 -1.54 0.00 0.00 41.25 37.96 3a0h s ASN 191 CO 0.74 -2.73 0.90 -0.81 -3.04 0.00 0.00 177.10 172.16 3a0h n PRO 192 N 9.02 -0.04 -0.16 0.43 -0.04 -1.26 0.17 135.00 143.12 3a0h n PRO 192 Ca 0.32 0.81 -0.06 0.00 -0.04 0.00 0.00 63.50 64.54 3a0h n PRO 192 Cb 0.50 -1.40 0.04 0.00 -0.04 0.00 0.00 33.50 32.60 3a0h n PRO 192 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3a0h h TYR 193 N 0.00 0.52 -1.35 0.54 0.05 -1.90 -3.21 116.97 111.61 3a0h h TYR 193 Ca 0.43 0.02 -0.57 0.00 0.05 0.00 0.00 58.73 58.66 3a0h h TYR 193 Cb 1.07 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.64 3a0h h TYR 193 CO -0.11 0.29 1.54 -1.71 -1.05 0.00 0.00 178.16 177.11 3a0h n ASN 194 N -4.83 2.29 -0.02 3.88 2.85 0.44 -4.02 115.26 115.84 3a0h n ASN 194 Ca 0.03 0.07 -0.09 0.00 -0.11 0.00 0.00 54.58 54.49 3a0h n ASN 194 Cb 0.09 -1.40 -0.03 0.00 1.24 0.00 0.00 39.78 39.69 3a0h n ASN 194 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3a0h h PRO 195 N 15.09 -0.15 -0.96 1.20 0.11 -1.85 0.12 132.00 145.57 3a0h h PRO 195 Ca -0.28 0.01 0.30 0.00 0.11 0.00 0.00 66.00 66.14 3a0h h PRO 195 Cb 1.29 0.03 -0.15 0.00 0.11 0.00 0.00 31.00 32.27 3a0h h PRO 195 CO 1.08 -0.10 0.40 0.78 -0.21 0.00 0.00 178.00 179.95 3a0h h GLY 196 N -0.15 1.77 0.62 -0.55 0.00 -1.88 1.15 103.07 104.03 3a0h h GLY 196 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3a0h h GLY 196 CO -0.26 -0.49 0.04 0.61 0.00 0.00 0.00 176.54 176.44 3a0h n GLY 197 N -1.34 -0.04 0.34 4.60 0.00 0.42 -1.71 105.19 107.45 3a0h n GLY 197 Ca 0.28 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.08 3a0h n GLY 197 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3a0h n VAL 198 N -0.85 1.19 0.18 1.61 0.31 0.40 -3.96 118.33 117.20 3a0h n VAL 198 Ca 0.00 -0.28 0.11 0.00 -0.01 0.00 0.00 64.34 64.16 3a0h n VAL 198 Cb 0.04 -1.81 0.64 0.00 -0.91 0.00 0.00 33.84 31.80 3a0h n VAL 198 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3a0h h VAL 199 N -0.77 0.93 -0.20 2.52 2.07 -1.41 -0.46 116.25 118.94 3a0h h VAL 199 Ca -0.53 -0.01 -0.13 0.00 0.82 0.00 0.00 66.70 66.85 3a0h h VAL 199 Cb 1.45 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 3a0h h VAL 199 CO -0.32 0.00 -0.43 0.00 0.02 0.00 0.00 177.57 176.85 3a0h h ALA 200 N 1.92 0.89 -0.12 1.67 0.00 -1.69 -2.70 119.26 119.24 3a0h h ALA 200 Ca 0.07 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 3a0h h ALA 200 Cb 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3a0h h ALA 200 CO -0.00 0.64 -0.22 1.25 0.00 0.00 0.00 179.25 180.91 3a0h h HIS 201 N 0.39 0.46 -0.26 0.00 6.17 -1.22 -2.42 115.15 118.27 3a0h h HIS 201 Ca 0.03 -0.16 -0.06 0.00 0.71 0.00 0.00 60.37 60.89 3a0h h HIS 201 Cb 0.91 -0.09 -0.01 0.00 2.52 0.00 0.00 27.41 30.75 3a0h h HIS 201 CO 0.03 0.84 -0.07 0.45 0.71 0.00 0.00 177.93 179.89 3a0h h HIS 202 N -0.05 0.57 -0.78 5.26 3.86 -1.48 1.03 115.15 123.56 3a0h h HIS 202 Ca 0.01 -0.12 0.02 0.00 -1.16 0.00 0.00 60.37 59.12 3a0h h HIS 202 Cb 0.81 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 29.09 3a0h h HIS 202 CO 0.10 0.72 0.50 0.97 0.86 0.00 0.00 177.93 181.09 3a0h h ILE 203 N 0.25 1.14 -0.26 2.45 2.10 -1.59 0.88 117.51 122.48 3a0h h ILE 203 Ca 0.07 -0.34 -0.20 0.00 1.08 0.00 0.00 64.86 65.47 3a0h h ILE 203 Cb 0.54 0.06 0.00 0.00 -1.09 0.00 0.00 36.82 36.33 3a0h h ILE 203 CO 0.03 0.18 -0.61 0.00 -1.08 0.00 0.00 178.15 176.67 3a0h h ALA 204 N 1.32 0.42 0.00 0.18 0.00 -1.17 -3.14 119.26 116.87 3a0h h ALA 204 Ca 0.30 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3a0h h ALA 204 Cb -0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3a0h h ALA 204 CO -0.10 0.68 -0.02 0.00 0.00 0.00 0.00 179.25 179.81 3a0h h ALA 205 N 0.65 0.98 -0.18 0.00 0.00 0.13 -3.20 119.26 117.64 3a0h h ALA 205 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3a0h h ALA 205 Cb 1.23 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3a0h h ALA 205 CO 0.13 0.03 0.10 0.78 0.00 0.00 0.00 179.25 180.29 3a0h h GLY 206 N 3.88 0.27 -0.11 0.00 0.00 -0.77 -1.62 103.07 104.71 3a0h h GLY 206 Ca -0.00 -0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.23 3a0h h GLY 206 CO 0.00 0.12 -0.45 -2.22 0.00 0.00 0.00 176.54 174.00 3a0h h ILE 207 N 0.19 0.00 -0.03 2.60 2.04 -1.55 0.19 117.51 120.95 3a0h h ILE 207 Ca 0.06 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.93 3a0h h ILE 207 Cb 0.07 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.15 3a0h h ILE 207 CO -0.01 0.00 0.39 0.58 0.00 0.00 0.00 178.15 179.11 3a0h h VAL 208 N -0.47 0.02 0.00 1.67 2.07 -1.55 -1.68 116.25 116.31 3a0h h VAL 208 Ca 0.03 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.37 3a0h h VAL 208 Cb 0.55 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3a0h h VAL 208 CO -0.36 0.00 -1.00 1.23 0.02 0.00 0.00 177.57 177.46 3a0h h GLY 209 N 0.00 0.00 -0.07 2.17 0.00 -0.02 -3.15 103.07 102.00 3a0h h GLY 209 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.36 3a0h h GLY 209 CO -0.00 0.00 -0.33 -2.22 0.00 0.00 0.00 176.54 173.99 3a0h h ILE 210 N -1.00 0.00 -0.88 2.60 2.04 -0.32 0.29 117.51 120.25 3a0h h ILE 210 Ca -0.27 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.74 3a0h h ILE 210 Cb 1.20 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.12 3a0h h ILE 210 CO -0.16 0.00 -0.32 0.40 0.00 0.00 0.00 178.15 178.07 3a0h h ILE 211 N -0.36 0.07 -0.36 -0.67 2.04 -1.54 0.64 117.51 117.34 3a0h h ILE 211 Ca 0.02 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.91 3a0h h ILE 211 Cb 0.41 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 3a0h h ILE 211 CO -0.26 0.00 0.16 0.00 0.00 0.00 0.00 178.15 178.06 3a0h h ALA 212 N 1.49 0.43 0.24 1.87 0.00 -1.27 -0.38 119.26 121.63 3a0h h ALA 212 Ca 0.35 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3a0h h ALA 212 Cb 0.61 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 3a0h h ALA 212 CO -0.90 -0.21 -0.51 0.78 0.00 0.00 0.00 179.25 178.40 3a0h h GLY 213 N 0.34 -1.20 -0.49 0.00 0.00 0.19 0.45 103.07 102.37 3a0h h GLY 213 Ca 0.15 0.63 0.05 0.00 0.00 0.00 0.00 47.33 48.17 3a0h h GLY 213 CO -0.12 -0.30 -0.56 1.41 0.00 0.00 0.00 176.54 176.97 3a0h h LEU 214 N -0.82 -1.89 -0.75 3.11 3.38 -1.15 0.66 115.31 117.84 3a0h h LEU 214 Ca -0.02 0.25 0.14 0.00 0.09 0.00 0.00 57.88 58.34 3a0h h LEU 214 Cb 0.78 0.78 -0.14 0.00 0.09 0.00 0.00 40.66 42.18 3a0h h LEU 214 CO -0.21 -0.37 -0.29 0.15 0.09 0.00 0.00 178.44 177.80 3a0h h PHE 215 N -0.34 -0.76 -0.00 1.13 -0.00 -0.42 0.38 116.94 116.93 3a0h h PHE 215 Ca 0.08 0.08 0.00 0.00 -0.00 0.00 0.00 57.97 58.13 3a0h h PHE 215 Cb 0.56 0.45 0.00 0.00 -0.00 0.00 0.00 35.95 36.96 3a0h h PHE 215 CO -0.77 -0.37 -0.01 0.72 -0.00 0.00 0.00 178.31 177.88 3a0h n HIS 216 N -5.48 0.00 0.02 0.41 8.25 0.15 -0.73 115.22 117.85 3a0h n HIS 216 Ca 0.08 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.51 3a0h n HIS 216 Cb 0.38 -0.32 -0.10 0.00 1.12 0.00 0.00 29.99 31.08 3a0h n HIS 216 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3a0h h ILE 217 N 0.02 0.71 0.00 1.59 2.04 0.40 -3.36 117.51 118.91 3a0h h ILE 217 Ca 0.00 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.53 3a0h h ILE 217 Cb 0.32 2.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.64 3a0h h ILE 217 CO 0.00 0.40 0.00 0.18 0.00 0.00 0.00 178.15 178.73 3a0h n LEU 218 N -2.99 0.59 -4.23 1.44 4.77 0.57 -4.95 117.00 112.20 3a0h n LEU 218 Ca -0.11 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.50 3a0h n LEU 218 Cb 0.91 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 42.03 3a0h n LEU 218 CO 0.44 0.00 -0.69 0.52 -1.33 0.00 0.00 177.39 176.33 3a0h n VAL 219 N -1.26 0.39 -4.38 4.08 0.31 0.09 -5.00 118.33 112.56 3a0h n VAL 219 Ca 0.00 -0.48 -0.28 0.00 -0.01 0.00 0.00 64.34 63.57 3a0h n VAL 219 Cb 0.00 -0.16 -0.13 0.00 -0.91 0.00 0.00 33.84 32.64 3a0h n VAL 219 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3a0h s ARG 220 N -1.66 1.37 0.07 5.55 6.06 -1.26 -4.75 118.95 124.33 3a0h s ARG 220 Ca 0.54 -1.34 -0.31 0.00 -2.50 0.00 0.00 55.73 52.12 3a0h s ARG 220 Cb -0.38 -1.81 -0.06 0.00 0.06 0.00 0.00 34.95 32.76 3a0h s ARG 220 CO 0.69 0.42 1.20 -1.25 -2.50 0.00 0.00 175.30 173.86 3a0h s PRO 221 N -2.11 4.44 0.28 5.12 0.04 -1.26 -4.99 135.00 136.51 3a0h s PRO 221 Ca 0.14 1.78 -0.28 0.00 0.04 0.00 0.00 61.00 62.68 3a0h s PRO 221 Cb -0.10 -3.34 -0.15 0.00 0.04 0.00 0.00 34.50 30.96 3a0h s PRO 221 CO 0.06 -0.24 0.84 -2.30 0.04 0.00 0.00 177.00 175.40 3a0h n PRO 222 N 3.81 0.92 0.13 0.56 -0.02 -1.26 -4.63 135.00 134.51 3a0h n PRO 222 Ca 0.09 0.32 0.10 0.00 -2.02 0.00 0.00 63.50 61.99 3a0h n PRO 222 Cb 0.46 -1.59 0.49 0.00 -0.02 0.00 0.00 33.50 32.84 3a0h n PRO 222 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3a0h n GLN 223 N 0.78 0.14 0.16 -0.52 1.13 -1.26 -0.90 117.38 116.91 3a0h n GLN 223 Ca 0.12 0.51 0.05 0.00 -1.94 0.00 0.00 57.00 55.74 3a0h n GLN 223 Cb 0.31 -1.86 0.05 0.00 0.11 0.00 0.00 30.24 28.85 3a0h n GLN 223 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 3a0h h ARG 224 N 0.00 0.00 0.00 -1.09 9.65 -2.00 -3.05 114.38 117.89 3a0h h ARG 224 Ca 0.00 0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.79 3a0h h ARG 224 Cb 0.17 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.74 3a0h h ARG 224 CO 0.00 0.38 -0.94 1.28 2.80 0.00 0.00 179.97 183.49 3a0h n LEU 225 N -3.19 1.85 0.28 3.80 4.32 -0.15 -3.37 117.00 120.54 3a0h n LEU 225 Ca 0.02 0.51 0.10 0.00 -0.02 0.00 0.00 56.01 56.62 3a0h n LEU 225 Cb 0.69 -0.87 0.51 0.00 -1.62 0.00 0.00 43.42 42.13 3a0h n LEU 225 CO 0.39 -0.18 0.99 0.22 -1.22 0.00 0.00 177.39 177.60 3a0h h TYR 226 N -1.00 0.00 0.05 -1.77 -0.00 -1.18 1.07 116.97 114.14 3a0h h TYR 226 Ca -0.14 0.00 -0.33 0.00 -0.00 0.00 0.00 58.73 58.26 3a0h h TYR 226 Cb 0.87 0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 37.56 3a0h h TYR 226 CO -0.16 0.00 -1.88 1.63 -0.00 0.00 0.00 178.16 177.74 3a0h n LYS 227 N -2.53 0.68 -0.03 1.82 4.76 -1.15 -3.21 118.16 118.50 3a0h n LYS 227 Ca -0.01 0.26 -0.01 0.00 -2.87 0.00 0.00 58.31 55.68 3a0h n LYS 227 Cb 0.49 -1.74 -0.00 0.00 -1.84 0.00 0.00 35.03 31.94 3a0h n LYS 227 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3a0h h ALA 228 N 0.62 -0.04 0.00 7.82 0.00 0.77 -3.30 119.26 125.12 3a0h h ALA 228 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3a0h h ALA 228 Cb 2.03 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.84 3a0h h ALA 228 CO 0.07 -0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.57 3a0h n LEU 229 N -4.81 1.23 -1.28 0.00 4.77 0.25 -4.84 117.00 112.32 3a0h n LEU 229 Ca -0.01 -0.62 -0.02 0.00 -0.03 0.00 0.00 56.01 55.33 3a0h n LEU 229 Cb 0.02 -0.42 -0.00 0.00 -2.33 0.00 0.00 43.42 40.69 3a0h n LEU 229 CO 0.01 0.26 -0.01 0.54 -1.33 0.00 0.00 177.39 176.86 3a0h n ARG 230 N 0.20 -1.41 -0.92 3.23 5.12 -1.22 -4.78 116.66 116.88 3a0h n ARG 230 Ca 0.00 0.01 -0.35 0.00 -1.93 0.00 0.00 57.85 55.58 3a0h n ARG 230 Cb 0.26 -1.20 0.07 0.00 -1.16 0.00 0.00 32.46 30.43 3a0h n ARG 230 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 3a0h n MET 231 N -0.82 -0.11 0.00 5.56 2.81 -1.20 -2.20 117.12 121.17 3a0h n MET 231 Ca 0.01 -0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 3a0h n MET 231 Cb 0.13 -1.31 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 3a0h n MET 231 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3a0h n GLY 232 N 2.77 3.04 3.39 3.03 0.00 -1.26 -4.94 105.19 111.22 3a0h n GLY 232 Ca 0.01 -0.60 -0.45 0.00 0.00 0.00 0.00 46.02 44.98 3a0h n GLY 232 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3a0h s ASN 233 N 0.29 6.56 0.34 1.61 3.04 -0.93 -4.88 114.94 120.97 3a0h s ASN 233 Ca 0.00 -2.11 0.26 0.00 0.04 0.00 0.00 52.86 51.06 3a0h s ASN 233 Cb 0.00 -2.31 1.15 0.00 -1.54 0.00 0.00 41.25 38.55 3a0h s ASN 233 CO 0.00 -0.91 1.18 0.00 -3.04 0.00 0.00 177.10 174.33 3a0h n ILE 234 N 4.99 -0.17 -0.42 -5.21 0.13 -1.26 -0.55 119.36 116.87 3a0h n ILE 234 Ca 0.12 1.34 0.40 0.00 -1.10 0.00 0.00 62.75 63.51 3a0h n ILE 234 Cb 0.47 -2.19 0.73 0.00 -0.84 0.00 0.00 39.64 37.80 3a0h n ILE 234 CO 0.00 0.00 0.00 -0.08 2.80 0.00 0.00 176.55 179.27 3a0h h GLU 235 N 0.00 0.00 0.00 9.51 4.57 -1.95 0.25 114.58 126.97 3a0h h GLU 235 Ca 0.67 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.70 3a0h h GLU 235 Cb 2.24 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 30.81 3a0h h GLU 235 CO -0.31 0.00 -0.73 0.00 -1.18 0.00 0.00 179.01 176.79 3a0h h THR 236 N 0.00 1.26 0.00 0.32 1.03 -1.16 -3.20 112.91 111.15 3a0h h THR 236 Ca 0.67 -2.76 -0.03 0.00 -0.01 0.00 0.00 66.41 64.29 3a0h h THR 236 Cb 2.88 2.61 -0.00 0.00 -1.07 0.00 0.00 68.15 72.56 3a0h h THR 236 CO -0.01 0.71 -0.12 0.58 -0.01 0.00 0.00 175.52 176.67 3a0h h VAL 237 N 0.00 0.38 -0.09 0.00 2.07 -0.68 -1.29 116.25 116.63 3a0h h VAL 237 Ca -0.01 -0.74 -0.23 0.00 0.82 0.00 0.00 66.70 66.55 3a0h h VAL 237 Cb 1.55 1.54 0.01 0.00 -1.52 0.00 0.00 31.29 32.87 3a0h h VAL 237 CO 0.09 0.12 -0.85 0.25 0.02 0.00 0.00 177.57 177.20 3a0h h LEU 238 N 0.00 0.85 0.00 2.57 5.85 -1.58 -2.23 115.31 120.77 3a0h h LEU 238 Ca -0.00 -0.60 -0.17 0.00 0.84 0.00 0.00 57.88 57.95 3a0h h LEU 238 Cb 0.53 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3a0h h LEU 238 CO 0.02 1.39 -0.93 0.28 -0.34 0.00 0.00 178.44 178.85 3a0h h SER 239 N 0.45 0.00 0.59 1.25 0.02 -1.64 -0.02 113.55 114.20 3a0h h SER 239 Ca -0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3a0h h SER 239 Cb 1.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.02 3a0h h SER 239 CO 0.17 0.74 0.00 -1.20 -1.14 0.00 0.00 176.83 175.39 3a0h n SER 240 N -3.20 0.00 -0.01 3.07 7.64 -0.49 -2.97 113.62 117.66 3a0h n SER 240 Ca -0.02 0.38 -0.03 0.00 1.01 0.00 0.00 58.87 60.21 3a0h n SER 240 Cb 0.85 -0.45 -0.01 0.00 -1.01 0.00 0.00 64.21 63.59 3a0h n SER 240 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3a0h n SER 241 N -1.45 0.33 -0.41 6.43 2.88 -0.84 -4.54 113.62 116.01 3a0h n SER 241 Ca 0.06 0.05 0.34 0.00 -1.33 0.00 0.00 58.87 57.98 3a0h n SER 241 Cb 0.21 -0.12 0.61 0.00 -0.75 0.00 0.00 64.21 64.16 3a0h n SER 241 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3a0h h ILE 242 N -0.11 0.19 0.27 2.46 2.04 -1.11 0.50 117.51 121.75 3a0h h ILE 242 Ca -0.07 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.75 3a0h h ILE 242 Cb 0.96 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 3a0h h ILE 242 CO -0.04 0.03 -0.35 0.00 0.00 0.00 0.00 178.15 177.79 3a0h h ALA 243 N 1.64 -0.70 -0.05 1.87 0.00 -1.76 -0.95 119.26 119.31 3a0h h ALA 243 Ca 0.78 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.59 3a0h h ALA 243 Cb 2.33 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 20.64 3a0h h ALA 243 CO -0.43 -0.94 0.01 0.00 0.00 0.00 0.00 179.25 177.89 3a0h h ALA 244 N -0.15 0.06 -0.43 0.00 0.00 -0.35 -2.68 119.26 115.71 3a0h h ALA 244 Ca -0.01 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.85 3a0h h ALA 244 Cb 0.63 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 3a0h h ALA 244 CO -0.11 -0.31 -0.41 0.28 0.00 0.00 0.00 179.25 178.69 3a0h h VAL 245 N -0.14 0.12 -0.74 0.00 2.07 -0.85 1.23 116.25 117.94 3a0h h VAL 245 Ca 0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.58 3a0h h VAL 245 Cb 0.24 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 3a0h h VAL 245 CO 0.00 0.00 0.49 2.19 0.02 0.00 0.00 177.57 180.27 3a0h h PHE 246 N -0.30 0.85 -0.29 1.57 -5.15 -1.14 -0.32 116.94 112.16 3a0h h PHE 246 Ca 0.15 0.02 -0.08 0.00 -0.20 0.00 0.00 57.97 57.86 3a0h h PHE 246 Cb 0.58 -0.28 -0.01 0.00 0.22 0.00 0.00 35.95 36.46 3a0h h PHE 246 CO -0.62 0.48 -0.14 0.35 -2.00 0.00 0.00 178.31 176.37 3a0h h PHE 247 N 0.87 0.71 -0.96 6.09 3.57 -0.32 -1.50 116.94 125.40 3a0h h PHE 247 Ca 0.30 -0.18 0.25 0.00 3.53 0.00 0.00 57.97 61.88 3a0h h PHE 247 Cb 0.11 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.62 3a0h h PHE 247 CO -0.00 0.85 0.66 0.00 -2.23 0.00 0.00 178.31 177.59 3a0h h ALA 248 N 0.75 2.52 -3.00 2.41 0.00 0.27 -2.24 119.26 119.97 3a0h h ALA 248 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3a0h h ALA 248 Cb 0.67 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3a0h h ALA 248 CO 0.04 -0.83 0.00 0.00 0.00 0.00 0.00 179.25 178.47 3a0h n ALA 249 N -2.60 0.00 -0.17 0.00 0.00 -0.27 -2.34 120.51 115.13 3a0h n ALA 249 Ca 0.21 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.85 3a0h n ALA 249 Cb 0.88 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.65 3a0h n ALA 249 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3a0h n PHE 250 N -0.44 0.00 0.07 0.00 3.72 -0.93 0.39 117.46 120.27 3a0h n PHE 250 Ca 0.00 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.19 3a0h n PHE 250 Cb 0.00 -0.19 -0.15 0.00 -0.94 0.00 0.00 39.48 38.20 3a0h n PHE 250 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3a0h h VAL 251 N 0.00 1.41 0.00 -4.37 2.07 -1.34 -1.91 116.25 112.10 3a0h h VAL 251 Ca 0.36 -2.57 -0.03 0.00 0.82 0.00 0.00 66.70 65.27 3a0h h VAL 251 Cb 2.03 3.12 -0.00 0.00 -1.52 0.00 0.00 31.29 34.92 3a0h h VAL 251 CO -0.00 0.74 -0.16 1.62 0.02 0.00 0.00 177.57 179.79 3a0h h VAL 252 N -0.22 0.76 -0.03 2.57 3.04 0.76 0.74 116.25 123.87 3a0h h VAL 252 Ca -0.19 -0.65 -0.15 0.00 -1.01 0.00 0.00 66.70 64.70 3a0h h VAL 252 Cb 1.80 1.39 -0.01 0.00 -2.01 0.00 0.00 31.29 32.46 3a0h h VAL 252 CO 0.18 0.16 -0.65 0.00 -1.01 0.00 0.00 177.57 176.25 3a0h h ALA 253 N 1.84 0.85 0.06 3.17 0.00 -0.98 -2.35 119.26 121.83 3a0h h ALA 253 Ca -0.00 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 3a0h h ALA 253 Cb 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3a0h h ALA 253 CO 0.02 0.78 -0.03 0.78 0.00 0.00 0.00 179.25 180.80 3a0h h GLY 254 N 1.69 -0.08 -1.14 0.00 0.00 -0.28 -2.96 103.07 100.30 3a0h h GLY 254 Ca -0.01 0.03 0.44 0.00 0.00 0.00 0.00 47.33 47.79 3a0h h GLY 254 CO 0.09 -0.03 0.79 -0.91 0.00 0.00 0.00 176.54 176.49 3a0h h THR 255 N -0.43 0.07 0.33 4.70 1.35 -1.04 -0.89 112.91 117.01 3a0h h THR 255 Ca -0.01 -0.02 -0.02 0.00 -0.55 0.00 0.00 66.41 65.82 3a0h h THR 255 Cb 0.06 0.01 0.00 0.00 -1.73 0.00 0.00 68.15 66.49 3a0h h THR 255 CO 0.01 0.01 -0.16 -0.03 -0.25 0.00 0.00 175.52 175.10 3a0h h MET 256 N 0.06 -0.43 0.00 4.72 -1.53 -1.52 -3.35 114.93 112.87 3a0h h MET 256 Ca 0.84 0.03 0.00 0.00 -3.44 0.00 0.00 59.70 57.13 3a0h h MET 256 Cb 2.55 0.10 0.00 0.00 -0.55 0.00 0.00 31.60 33.70 3a0h h MET 256 CO -0.51 -0.29 0.00 1.87 0.14 0.00 0.00 176.91 178.12 3a0h n TRP 257 N -3.57 0.00 -0.81 1.39 -0.00 -0.42 -4.61 117.44 109.43 3a0h n TRP 257 Ca -0.06 0.00 -0.29 0.00 -0.00 0.00 0.00 57.50 57.16 3a0h n TRP 257 Cb 0.18 -0.32 0.22 0.00 -0.00 0.00 0.00 31.31 31.38 3a0h n TRP 257 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 177.69 178.40 3a0h s TYR 258 N -2.28 1.67 1.05 5.87 1.51 -0.73 -4.69 117.35 119.75 3a0h s TYR 258 Ca 0.00 1.13 -0.13 0.00 -1.01 0.00 0.00 57.07 57.06 3a0h s TYR 258 Cb 0.00 -3.17 0.22 0.00 -0.11 0.00 0.00 41.96 38.90 3a0h s TYR 258 CO 0.00 -3.44 1.08 0.20 -1.11 0.00 0.00 175.55 172.28 3a0h s GLY 259 N -2.91 1.55 0.00 0.71 0.00 -1.26 -4.60 107.32 100.82 3a0h s GLY 259 Ca 0.67 -0.38 0.00 0.00 0.00 0.00 0.00 44.72 45.01 3a0h s GLY 259 CO 0.61 0.28 0.00 -1.26 0.00 0.00 0.00 173.10 172.74 3a0h n SER 260 N -4.39 0.00 0.00 1.64 2.88 -1.26 -4.77 113.62 107.73 3a0h n SER 260 Ca 0.05 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.72 3a0h n SER 260 Cb 0.57 0.00 0.73 0.00 -0.75 0.00 0.00 64.21 64.76 3a0h n SER 260 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3a0h n ALA 261 N -0.29 2.41 0.74 -1.46 0.00 -1.21 -2.21 120.51 118.49 3a0h n ALA 261 Ca 0.00 -0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.41 3a0h n ALA 261 Cb 0.00 -1.42 0.24 0.00 0.00 0.00 0.00 19.45 18.26 3a0h n ALA 261 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3a0h n THR 262 N -1.10 0.22 -3.47 0.00 -2.24 -1.26 -4.50 114.28 101.93 3a0h n THR 262 Ca 0.17 -0.16 -0.27 0.00 -2.27 0.00 0.00 64.05 61.52 3a0h n THR 262 Cb 0.13 -0.04 -0.12 0.00 -2.10 0.00 0.00 70.33 68.20 3a0h n THR 262 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3a0h s THR 263 N -3.10 -0.01 0.65 4.28 -4.23 -0.94 -5.07 115.64 107.23 3a0h s THR 263 Ca 0.08 -1.29 -0.11 0.00 -1.18 0.00 0.00 61.69 59.20 3a0h s THR 263 Cb 0.15 -1.02 0.17 0.00 1.34 0.00 0.00 72.50 73.14 3a0h s THR 263 CO 0.70 -0.84 0.37 -0.81 -0.54 0.00 0.00 174.62 173.50 3a0h n PRO 264 N 4.48 -3.01 -0.01 3.99 -0.04 -1.25 -4.14 135.00 135.02 3a0h n PRO 264 Ca 0.06 -0.63 -0.15 0.00 -0.04 0.00 0.00 63.50 62.74 3a0h n PRO 264 Cb 0.40 -0.85 -0.14 0.00 -0.04 0.00 0.00 33.50 32.87 3a0h n PRO 264 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3a0h n ILE 265 N -4.20 1.69 0.00 0.52 -0.00 -1.26 -3.98 119.36 112.14 3a0h n ILE 265 Ca 0.06 -0.72 0.10 0.00 -0.00 0.00 0.00 62.75 62.18 3a0h n ILE 265 Cb 0.26 -1.38 -0.14 0.00 -0.00 0.00 0.00 39.64 38.38 3a0h n ILE 265 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 3a0h n GLU 266 N -3.26 0.65 0.04 0.38 1.02 -1.26 -3.75 120.64 114.46 3a0h n GLU 266 Ca -0.25 -0.13 0.12 0.00 -0.02 0.00 0.00 57.16 56.88 3a0h n GLU 266 Cb 1.05 -1.58 0.28 0.00 -0.02 0.00 0.00 31.44 31.18 3a0h n GLU 266 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3a0h n LEU 267 N -2.37 0.57 -4.09 -4.62 4.77 -1.26 -4.64 117.00 105.36 3a0h n LEU 267 Ca -0.05 0.25 -0.12 0.00 -0.03 0.00 0.00 56.01 56.05 3a0h n LEU 267 Cb 0.60 -0.26 -0.11 0.00 -2.33 0.00 0.00 43.42 41.32 3a0h n LEU 267 CO 0.45 -0.02 -0.40 -0.36 -1.33 0.00 0.00 177.39 175.73 3a0h s PHE 268 N -3.09 0.71 0.24 -1.77 0.40 -1.26 -4.63 117.98 108.59 3a0h s PHE 268 Ca 0.09 -0.60 -0.29 0.00 -0.60 0.00 0.00 56.93 55.53 3a0h s PHE 268 Cb 0.15 -0.43 -0.15 0.00 0.51 0.00 0.00 43.02 43.10 3a0h s PHE 268 CO 0.67 -0.10 0.88 0.41 0.70 0.00 0.00 175.22 177.78 3a0h n GLY 269 N 1.11 -0.68 3.60 4.36 0.00 -1.26 -4.52 105.19 107.80 3a0h n GLY 269 Ca -0.20 0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3a0h n GLY 269 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3a0h n PRO 270 N 0.96 1.22 -1.87 1.61 -0.02 -1.25 -4.78 135.00 130.88 3a0h n PRO 270 Ca 0.13 0.44 -0.41 0.00 -2.02 0.00 0.00 63.50 61.64 3a0h n PRO 270 Cb 0.28 -2.03 -0.01 0.00 -0.02 0.00 0.00 33.50 31.72 3a0h n PRO 270 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3a0h s THR 271 N -1.34 2.25 0.57 3.45 -1.32 -1.26 -4.22 115.64 113.76 3a0h s THR 271 Ca 0.65 0.22 0.28 0.00 -1.21 0.00 0.00 61.69 61.64 3a0h s THR 271 Cb -0.53 -3.14 0.39 0.00 -1.51 0.00 0.00 72.50 67.71 3a0h s THR 271 CO 0.55 0.04 1.96 0.08 -2.21 0.00 0.00 174.62 175.04 3a0h h ARG 272 N 4.28 0.00 0.00 7.08 0.11 -1.88 0.32 114.38 124.28 3a0h h ARG 272 Ca -0.48 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.58 3a0h h ARG 272 Cb 1.22 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.30 3a0h h ARG 272 CO 0.74 0.00 -0.12 1.88 0.10 0.00 0.00 179.97 182.57 3a0h h TYR 273 N 0.00 0.00 -0.07 4.08 0.05 -1.91 -3.05 116.97 116.07 3a0h h TYR 273 Ca 0.22 0.00 0.02 0.00 0.05 0.00 0.00 58.73 59.02 3a0h h TYR 273 Cb 1.06 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.80 3a0h h TYR 273 CO 0.00 0.12 0.07 1.96 -1.05 0.00 0.00 178.16 179.26 3a0h h GLN 274 N 0.00 0.00 0.00 4.88 4.20 -0.63 -1.13 115.11 122.42 3a0h h GLN 274 Ca -0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 3a0h h GLN 274 Cb 1.07 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.84 3a0h h GLN 274 CO 0.02 0.00 -1.89 1.87 -0.67 0.00 0.00 178.83 178.16 3a0h n TRP 275 N -4.02 0.23 0.26 2.96 -0.00 -1.18 -2.68 117.44 113.00 3a0h n TRP 275 Ca -0.01 0.07 -0.17 0.00 -0.00 0.00 0.00 57.50 57.39 3a0h n TRP 275 Cb 0.17 -0.72 -0.08 0.00 -0.00 0.00 0.00 31.31 30.68 3a0h n TRP 275 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 177.69 177.25 3a0h h ASP 276 N 0.00 -1.09 -3.27 5.87 5.19 -1.11 -3.35 116.42 118.67 3a0h h ASP 276 Ca -0.13 0.09 -0.59 0.00 -0.62 0.00 0.00 57.03 55.79 3a0h h ASP 276 Cb 1.31 0.36 -0.09 0.00 0.18 0.00 0.00 39.33 41.09 3a0h h ASP 276 CO 0.01 -0.56 -0.23 -0.94 -3.12 0.00 0.00 179.24 174.39 3a0h s SER 277 N -4.50 6.58 0.00 6.45 1.04 -1.08 -4.90 113.70 117.30 3a0h s SER 277 Ca -0.17 0.69 0.00 0.00 0.48 0.00 0.00 55.95 56.95 3a0h s SER 277 Cb 0.05 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.94 3a0h s SER 277 CO 0.62 0.08 0.24 -1.20 0.98 0.00 0.00 173.24 173.96 3a0h n SER 278 N 3.41 0.00 -0.30 7.02 7.64 -1.26 -4.43 113.62 125.71 3a0h n SER 278 Ca -0.10 -1.21 -0.06 0.00 1.01 0.00 0.00 58.87 58.51 3a0h n SER 278 Cb 0.52 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.71 3a0h n SER 278 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 3a0h h TYR 279 N 4.91 -1.26 0.00 1.43 3.20 -1.81 0.10 116.97 123.55 3a0h h TYR 279 Ca 0.00 0.10 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 3a0h h TYR 279 Cb 0.00 0.66 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 3a0h h TYR 279 CO 0.72 -0.40 -0.20 0.74 -1.64 0.00 0.00 178.16 177.38 3a0h h PHE 280 N -0.11 0.00 0.10 -3.82 0.04 -1.78 -2.13 116.94 109.24 3a0h h PHE 280 Ca 0.24 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.71 3a0h h PHE 280 Cb 0.55 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.69 3a0h h PHE 280 CO -0.80 0.20 -1.51 -0.56 -0.60 0.00 0.00 178.31 175.04 3a0h h GLN 281 N 0.00 0.20 -0.34 1.51 3.07 -1.25 -3.20 115.11 115.11 3a0h h GLN 281 Ca -0.00 -0.35 -0.16 0.00 0.09 0.00 0.00 58.65 58.23 3a0h h GLN 281 Cb 0.41 0.13 -0.00 0.00 0.08 0.00 0.00 27.48 28.09 3a0h h GLN 281 CO 0.03 1.05 -0.44 0.37 0.09 0.00 0.00 178.83 179.93 3a0h h GLN 282 N 0.06 0.87 0.00 0.06 4.15 -0.99 0.32 115.11 119.58 3a0h h GLN 282 Ca -0.23 -0.49 0.00 0.00 0.77 0.00 0.00 58.65 58.70 3a0h h GLN 282 Cb 1.99 0.03 0.00 0.00 0.21 0.00 0.00 27.48 29.71 3a0h h GLN 282 CO 0.15 1.13 0.00 -1.91 -1.93 0.00 0.00 178.83 176.27 3a0h n GLU 283 N -4.04 0.46 -0.11 1.69 2.13 -0.81 -2.43 120.64 117.53 3a0h n GLU 283 Ca -0.03 0.04 -0.17 0.00 0.66 0.00 0.00 57.16 57.67 3a0h n GLU 283 Cb 0.57 -1.50 -0.06 0.00 0.27 0.00 0.00 31.44 30.72 3a0h n GLU 283 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3a0h n ILE 284 N -1.21 1.50 -0.33 6.31 5.41 -0.93 -4.27 119.36 125.84 3a0h n ILE 284 Ca 0.13 -0.04 0.26 0.00 1.00 0.00 0.00 62.75 64.09 3a0h n ILE 284 Cb 0.16 -2.17 0.55 0.00 -0.71 0.00 0.00 39.64 37.47 3a0h n ILE 284 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 176.55 177.33 3a0h h ASN 285 N -1.00 0.38 -0.29 4.38 2.35 -0.27 0.44 115.58 121.56 3a0h h ASN 285 Ca -0.27 0.08 0.05 0.00 -0.55 0.00 0.00 56.30 55.61 3a0h h ASN 285 Cb 1.18 0.02 -0.04 0.00 0.05 0.00 0.00 38.32 39.53 3a0h h ASN 285 CO -0.16 0.05 0.03 -0.09 -1.65 0.00 0.00 177.43 175.61 3a0h h ARG 286 N 0.32 0.13 -0.05 0.81 2.43 -1.68 0.30 114.38 116.63 3a0h h ARG 286 Ca 0.61 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.64 3a0h h ARG 286 Cb 1.70 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.20 3a0h h ARG 286 CO -0.28 0.08 -0.59 -0.09 -1.51 0.00 0.00 179.97 177.58 3a0h h ARG 287 N 0.13 0.17 -0.00 0.20 2.43 -0.37 0.16 114.38 117.10 3a0h h ARG 287 Ca 0.14 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3a0h h ARG 287 Cb 0.17 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3a0h h ARG 287 CO -0.21 0.71 -0.23 1.55 -1.51 0.00 0.00 179.97 180.28 3a0h n VAL 288 N -3.87 0.00 -0.03 0.20 3.14 -0.46 -1.55 118.33 115.76 3a0h n VAL 288 Ca -0.02 -0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.15 3a0h n VAL 288 Cb 0.60 -0.14 -0.13 0.00 -1.06 0.00 0.00 33.84 33.10 3a0h n VAL 288 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3a0h n GLN 289 N -1.48 0.73 0.48 1.45 1.13 0.10 -2.57 117.38 117.22 3a0h n GLN 289 Ca 0.07 0.26 -0.20 0.00 -1.94 0.00 0.00 57.00 55.19 3a0h n GLN 289 Cb 0.34 -1.68 -0.09 0.00 0.11 0.00 0.00 30.24 28.91 3a0h n GLN 289 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3a0h h ALA 290 N 0.01 -1.21 -0.78 -1.58 0.00 -0.70 0.31 119.26 115.31 3a0h h ALA 290 Ca -0.45 -0.27 0.23 0.00 0.00 0.00 0.00 54.91 54.42 3a0h h ALA 290 Cb 1.96 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 20.19 3a0h h ALA 290 CO 0.03 -1.17 0.57 0.77 0.00 0.00 0.00 179.25 179.46 3a0h h SER 291 N -1.23 0.00 0.07 0.00 0.02 -1.45 -0.59 113.55 110.36 3a0h h SER 291 Ca -0.12 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.82 3a0h h SER 291 Cb 0.93 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.47 3a0h h SER 291 CO 0.20 0.00 -0.03 0.25 -1.14 0.00 0.00 176.83 176.11 3a0h h LEU 292 N 0.00 -0.07 -0.81 5.07 6.46 -1.09 -3.22 115.31 121.64 3a0h h LEU 292 Ca 0.37 -0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.96 3a0h h LEU 292 Cb 1.51 0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.46 3a0h h LEU 292 CO -0.00 0.49 0.00 0.00 -0.62 0.00 0.00 178.44 178.31 3a0h n ALA 293 N -2.74 2.21 -0.84 1.25 0.00 0.10 -2.26 120.51 118.24 3a0h n ALA 293 Ca -0.03 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.49 3a0h n ALA 293 Cb 0.12 -1.00 0.16 0.00 0.00 0.00 0.00 19.45 18.73 3a0h n ALA 293 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3a0h n SER 294 N -0.01 2.87 -1.63 0.00 2.88 -0.25 -5.00 113.62 112.47 3a0h n SER 294 Ca 0.00 -2.84 -0.02 0.00 -1.33 0.00 0.00 58.87 54.69 3a0h n SER 294 Cb 0.16 -0.40 0.01 0.00 -0.75 0.00 0.00 64.21 63.23 3a0h n SER 294 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3a0h n GLY 295 N -0.85 0.64 3.02 0.46 0.00 -0.96 -4.99 105.19 102.51 3a0h n GLY 295 Ca 0.15 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 3a0h n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a0h s ALA 296 N -3.04 -0.05 0.40 4.61 0.00 -1.22 -5.04 121.76 117.42 3a0h s ALA 296 Ca 0.04 -0.40 -0.27 0.00 0.00 0.00 0.00 51.96 51.34 3a0h s ALA 296 Cb -0.01 0.12 -0.09 0.00 0.00 0.00 0.00 23.12 23.15 3a0h s ALA 296 CO 0.08 -0.17 1.39 0.99 0.00 0.00 0.00 175.76 178.05 3a0h s THR 297 N -1.36 2.31 0.57 0.00 2.01 -1.26 -4.76 115.64 113.14 3a0h s THR 297 Ca -0.15 0.29 0.29 0.00 0.31 0.00 0.00 61.69 62.43 3a0h s THR 297 Cb -0.09 -3.18 0.41 0.00 0.01 0.00 0.00 72.50 69.66 3a0h s THR 297 CO -0.00 0.05 1.91 0.25 -0.69 0.00 0.00 174.62 176.14 3a0h h LEU 298 N 2.73 0.00 0.38 4.42 5.85 -1.97 0.68 115.31 127.41 3a0h h LEU 298 Ca -0.50 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 3a0h h LEU 298 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 3a0h h LEU 298 CO 0.63 0.00 -0.18 -0.33 -0.34 0.00 0.00 178.44 178.21 3a0h h GLU 299 N 0.00 -0.50 -0.15 1.25 5.08 -1.97 -2.48 114.58 115.81 3a0h h GLU 299 Ca 0.27 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.71 3a0h h GLU 299 Cb 1.28 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 3a0h h GLU 299 CO -0.00 -0.18 0.15 0.93 -1.00 0.00 0.00 179.01 178.91 3a0h h GLU 300 N -0.89 0.00 0.77 2.33 5.08 -1.07 -1.06 114.58 119.73 3a0h h GLU 300 Ca -0.05 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3a0h h GLU 300 Cb 0.54 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 3a0h h GLU 300 CO 0.09 0.00 -0.45 0.00 -1.00 0.00 0.00 179.01 177.65 3a0h h ALA 301 N 1.83 -1.26 0.09 3.43 0.00 0.60 -2.21 119.26 121.74 3a0h h ALA 301 Ca 0.07 -0.24 -0.26 0.00 0.00 0.00 0.00 54.91 54.48 3a0h h ALA 301 Cb 0.38 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3a0h h ALA 301 CO -0.00 -1.21 -1.16 -1.49 0.00 0.00 0.00 179.25 175.39 3a0h h TRP 302 N -1.13 0.49 0.00 0.00 4.06 -1.21 -2.63 115.95 115.53 3a0h h TRP 302 Ca -0.10 -0.33 0.00 0.00 2.06 0.00 0.00 58.89 60.51 3a0h h TRP 302 Cb 0.90 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 29.03 3a0h h TRP 302 CO -0.06 1.23 0.00 0.43 -3.56 0.00 0.00 178.44 176.48 3a0h n SER 303 N -3.58 0.00 0.04 -3.49 7.64 -0.42 -0.76 113.62 113.05 3a0h n SER 303 Ca -0.08 0.31 -0.20 0.00 1.01 0.00 0.00 58.87 59.91 3a0h n SER 303 Cb 0.97 -0.35 -0.14 0.00 -1.01 0.00 0.00 64.21 63.68 3a0h n SER 303 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3a0h h ALA 304 N 2.21 -0.03 -2.55 -0.43 0.00 -1.00 -3.46 119.26 113.99 3a0h h ALA 304 Ca 0.00 -0.78 -0.56 0.00 0.00 0.00 0.00 54.91 53.57 3a0h h ALA 304 Cb 0.06 0.18 0.09 0.00 0.00 0.00 0.00 17.79 18.12 3a0h h ALA 304 CO 0.00 0.46 0.67 -0.89 0.00 0.00 0.00 179.25 179.49 3a0h n ILE 305 N -4.10 1.36 -2.59 0.00 5.41 0.06 -4.95 119.36 114.55 3a0h n ILE 305 Ca -0.16 -0.34 -0.41 0.00 1.00 0.00 0.00 62.75 62.84 3a0h n ILE 305 Cb 0.83 -1.67 -0.04 0.00 -0.71 0.00 0.00 39.64 38.04 3a0h n ILE 305 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3a0h s PRO 306 N -1.01 4.63 0.00 0.38 0.04 -1.26 -4.98 135.00 132.81 3a0h s PRO 306 Ca 0.62 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.28 3a0h s PRO 306 Cb -0.57 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 30.65 3a0h s PRO 306 CO 0.54 0.13 0.33 0.39 0.04 0.00 0.00 177.00 178.43 3a0h n GLU 307 N 2.54 0.00 -0.25 4.56 -0.58 -1.26 -1.44 120.64 124.20 3a0h n GLU 307 Ca 0.03 0.33 0.21 0.00 -0.42 0.00 0.00 57.16 57.31 3a0h n GLU 307 Cb 0.47 -0.73 0.39 0.00 -0.57 0.00 0.00 31.44 31.00 3a0h n GLU 307 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3a0h n LYS 308 N -0.75 -0.05 -0.14 3.49 4.81 -1.26 -0.02 118.16 124.24 3a0h n LYS 308 Ca 0.00 1.08 -0.11 0.00 -0.87 0.00 0.00 58.31 58.40 3a0h n LYS 308 Cb 0.00 -1.87 -0.02 0.00 0.02 0.00 0.00 35.03 33.16 3a0h n LYS 308 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 3a0h h LEU 309 N 0.00 0.81 0.31 3.14 5.85 -1.35 -2.47 115.31 121.61 3a0h h LEU 309 Ca 0.60 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3a0h h LEU 309 Cb 1.52 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.30 3a0h h LEU 309 CO -0.62 1.00 -0.35 0.00 -0.34 0.00 0.00 178.44 178.13 3a0h h ALA 310 N 0.84 -0.73 -0.87 1.25 0.00 -0.12 -2.01 119.26 117.62 3a0h h ALA 310 Ca 0.10 -0.11 0.27 0.00 0.00 0.00 0.00 54.91 55.17 3a0h h ALA 310 Cb 0.66 0.52 -0.16 0.00 0.00 0.00 0.00 17.79 18.81 3a0h h ALA 310 CO 0.05 -0.95 0.11 0.34 0.00 0.00 0.00 179.25 178.80 3a0h n PHE 311 N -5.45 0.65 0.08 0.00 -0.00 -1.07 0.28 117.46 111.94 3a0h n PHE 311 Ca -0.09 1.05 0.09 0.00 -0.00 0.00 0.00 57.45 58.50 3a0h n PHE 311 Cb 0.36 -1.21 0.56 0.00 -0.00 0.00 0.00 39.48 39.18 3a0h n PHE 311 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.76 178.64 3a0h h TYR 312 N 0.00 0.23 -0.30 -5.13 0.99 -0.90 -1.14 116.97 110.73 3a0h h TYR 312 Ca 0.57 0.01 -0.21 0.00 2.00 0.00 0.00 58.73 61.10 3a0h h TYR 312 Cb 1.26 -0.08 -0.08 0.00 1.00 0.00 0.00 36.73 38.83 3a0h h TYR 312 CO -0.36 0.13 0.12 -3.47 -0.00 0.00 0.00 178.16 174.59 3a0h n ASP 313 N -4.48 5.85 -3.97 3.88 2.03 0.79 -4.73 116.55 115.92 3a0h n ASP 313 Ca 0.03 -2.75 -0.31 0.00 0.52 0.00 0.00 54.79 52.29 3a0h n ASP 313 Cb 0.21 -1.17 -0.15 0.00 -0.72 0.00 0.00 41.12 39.29 3a0h n ASP 313 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 3a0h s TYR 314 N -0.66 2.59 0.59 -0.67 5.04 -0.43 -1.75 117.35 122.06 3a0h s TYR 314 Ca 0.30 -1.86 0.31 0.00 -2.44 0.00 0.00 57.07 53.39 3a0h s TYR 314 Cb 0.19 -1.66 1.26 0.00 0.35 0.00 0.00 41.96 42.10 3a0h s TYR 314 CO -0.03 -0.79 1.57 0.97 -1.34 0.00 0.00 175.55 175.93 3a0h h ILE 315 N 6.66 0.15 0.00 3.14 2.10 0.37 -0.01 117.51 129.92 3a0h h ILE 315 Ca -0.19 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.75 3a0h h ILE 315 Cb 1.07 0.24 0.00 0.00 -1.09 0.00 0.00 36.82 37.03 3a0h h ILE 315 CO 0.43 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 178.11 3a0h n GLY 316 N -1.68 0.00 0.00 8.18 0.00 -1.26 -0.70 105.19 109.73 3a0h n GLY 316 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3a0h n GLY 316 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3a0h n ASN 317 N -0.94 0.05 -4.55 1.61 3.02 -0.02 -4.88 115.26 109.55 3a0h n ASN 317 Ca 0.00 -0.51 -0.34 0.00 -0.03 0.00 0.00 54.58 53.70 3a0h n ASN 317 Cb 0.00 0.90 -0.04 0.00 -0.61 0.00 0.00 39.78 40.03 3a0h n ASN 317 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3a0h s ASN 318 N -0.90 4.79 0.20 6.41 3.84 0.13 -4.39 114.94 125.01 3a0h s ASN 318 Ca 0.00 0.51 0.17 0.00 0.21 0.00 0.00 52.86 53.75 3a0h s ASN 318 Cb 0.00 -2.52 0.66 0.00 -0.55 0.00 0.00 41.25 38.83 3a0h s ASN 318 CO 0.00 -2.76 0.63 -2.65 -2.79 0.00 0.00 177.10 169.53 3a0h n PRO 319 N 9.05 -0.01 0.23 0.43 -0.02 -1.26 -2.14 135.00 141.28 3a0h n PRO 319 Ca 0.31 0.48 -0.15 0.00 -2.02 0.00 0.00 63.50 62.12 3a0h n PRO 319 Cb 0.52 -1.01 -0.08 0.00 -0.02 0.00 0.00 33.50 32.91 3a0h n PRO 319 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a0h h ALA 320 N 0.53 -0.55 -0.95 3.55 0.00 -1.92 -3.31 119.26 116.61 3a0h h ALA 320 Ca 0.37 -0.16 0.28 0.00 0.00 0.00 0.00 54.91 55.40 3a0h h ALA 320 Cb 1.34 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.31 3a0h h ALA 320 CO -0.10 -0.74 0.99 1.63 0.00 0.00 0.00 179.25 181.04 3a0h n LYS 321 N -5.27 0.01 0.00 0.00 4.76 -0.91 -4.62 118.16 112.13 3a0h n LYS 321 Ca -0.11 0.81 0.00 0.00 -2.87 0.00 0.00 58.31 56.14 3a0h n LYS 321 Cb 0.27 -1.99 0.00 0.00 -1.84 0.00 0.00 35.03 31.46 3a0h n LYS 321 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3a0h n GLY 322 N -1.55 -1.09 3.64 0.72 0.00 -1.24 -4.74 105.19 100.92 3a0h n GLY 322 Ca 0.21 -0.33 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 3a0h n GLY 322 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3a0h s GLY 323 N 0.00 -0.19 0.50 -0.02 0.00 -1.26 -4.87 107.32 101.48 3a0h s GLY 323 Ca 0.00 2.67 0.27 0.00 0.00 0.00 0.00 44.72 47.66 3a0h s GLY 323 CO 0.00 1.98 1.88 -2.00 0.00 0.00 0.00 173.10 174.95 3a0h h LEU 324 N 4.73 0.13 -1.72 0.66 5.85 -1.98 -1.46 115.31 121.52 3a0h h LEU 324 Ca -0.28 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3a0h h LEU 324 Cb 1.18 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3a0h h LEU 324 CO 0.12 0.05 0.00 0.49 -0.34 0.00 0.00 178.44 178.75 3a0h n PHE 325 N -4.35 0.09 -0.75 1.25 3.01 -1.26 -4.80 117.46 110.64 3a0h n PHE 325 Ca 0.19 -0.12 -0.33 0.00 1.01 0.00 0.00 57.45 58.20 3a0h n PHE 325 Cb 0.89 -0.01 -0.05 0.00 -0.01 0.00 0.00 39.48 40.29 3a0h n PHE 325 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3a0h n ARG 326 N 0.46 1.07 0.00 -1.08 1.74 -0.55 -4.78 116.66 113.52 3a0h n ARG 326 Ca 0.06 -1.38 0.00 0.00 -0.77 0.00 0.00 57.85 55.76 3a0h n ARG 326 Cb 0.27 -2.60 0.00 0.00 -1.02 0.00 0.00 32.46 29.11 3a0h n ARG 326 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3a0h n THR 327 N 5.71 0.00 -3.76 0.55 -2.24 -1.26 -4.78 114.28 108.50 3a0h n THR 327 Ca 0.41 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.19 3a0h n THR 327 Cb 0.29 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 3a0h n THR 327 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a0h n GLY 328 N -0.51 4.17 3.72 3.38 0.00 -1.26 -5.12 105.19 109.56 3a0h n GLY 328 Ca 0.00 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 3a0h n GLY 328 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3a0h s PRO 329 N -1.41 4.19 0.24 1.61 0.04 -1.26 -4.63 135.00 133.80 3a0h s PRO 329 Ca 0.00 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.46 3a0h s PRO 329 Cb 0.00 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.41 3a0h s PRO 329 CO 0.00 -0.64 0.41 -1.33 0.04 0.00 0.00 177.00 175.48 3a0h n MET 330 N 3.95 0.01 0.00 4.56 2.81 -0.75 -1.41 117.12 126.30 3a0h n MET 330 Ca 0.14 0.35 -0.16 0.00 -1.81 0.00 0.00 57.70 56.22 3a0h n MET 330 Cb 0.38 -1.12 -0.06 0.00 -0.71 0.00 0.00 33.22 31.71 3a0h n MET 330 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3a0h h ASN 331 N 0.00 0.85 -0.13 7.83 2.35 -1.77 -3.09 115.58 121.62 3a0h h ASN 331 Ca 0.00 -0.58 -0.12 0.00 -0.55 0.00 0.00 56.30 55.05 3a0h h ASN 331 Cb 0.83 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.90 3a0h h ASN 331 CO 0.00 1.37 0.00 1.17 -1.65 0.00 0.00 177.43 178.32 3a0h n LYS 332 N -3.90 1.41 0.00 0.81 4.81 -0.50 -1.65 118.16 119.14 3a0h n LYS 332 Ca -0.07 -0.57 0.00 0.00 -0.87 0.00 0.00 58.31 56.79 3a0h n LYS 332 Cb 0.77 -1.37 0.00 0.00 0.02 0.00 0.00 35.03 34.45 3a0h n LYS 332 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a0h n GLY 333 N 1.51 1.13 0.10 3.14 0.00 -1.17 -3.54 105.19 106.36 3a0h n GLY 333 Ca 0.16 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.24 3a0h n GLY 333 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3a0h n ASP 334 N 0.00 0.69 0.00 1.61 3.85 -1.25 -2.34 116.55 119.11 3a0h n ASP 334 Ca 0.00 0.60 0.00 0.00 -0.71 0.00 0.00 54.79 54.68 3a0h n ASP 334 Cb 0.00 -0.77 0.00 0.00 -1.35 0.00 0.00 41.12 39.00 3a0h n ASP 334 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3a0h n GLY 335 N 0.82 -0.85 3.59 6.12 0.00 -0.66 -4.72 105.19 109.49 3a0h n GLY 335 Ca 0.04 -2.14 -0.40 0.00 0.00 0.00 0.00 46.02 43.52 3a0h n GLY 335 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a0h s ILE 336 N 0.00 5.09 -0.07 -0.61 1.01 0.13 -4.48 121.20 122.27 3a0h s ILE 336 Ca 0.00 0.57 -0.29 0.00 0.00 0.00 0.00 60.65 60.93 3a0h s ILE 336 Cb 0.00 -3.83 -0.06 0.00 0.01 0.00 0.00 42.46 38.58 3a0h s ILE 336 CO 0.00 0.01 1.86 0.00 0.00 0.00 0.00 174.94 176.81 3a0h s ALA 337 N 2.24 3.41 -0.19 9.38 0.00 -1.26 -0.49 121.76 134.85 3a0h s ALA 337 Ca 0.18 1.00 0.14 0.00 0.00 0.00 0.00 51.96 53.28 3a0h s ALA 337 Cb -0.16 -3.85 -0.23 0.00 0.00 0.00 0.00 23.12 18.87 3a0h s ALA 337 CO 0.11 -1.77 0.08 1.04 0.00 0.00 0.00 175.76 175.22 3a0h n GLN 338 N 7.64 0.68 -3.59 0.00 1.13 0.13 -4.69 117.38 118.68 3a0h n GLN 338 Ca 0.20 0.05 0.02 0.00 -1.94 0.00 0.00 57.00 55.33 3a0h n GLN 338 Cb 0.43 -1.55 -0.01 0.00 0.11 0.00 0.00 30.24 29.22 3a0h n GLN 338 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3a0h s ALA 339 N -2.51 -2.37 -0.08 -1.58 0.00 -1.19 -5.00 121.76 109.03 3a0h s ALA 339 Ca -0.14 1.19 -0.22 0.00 0.00 0.00 0.00 51.96 52.80 3a0h s ALA 339 Cb 0.07 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 3a0h s ALA 339 CO 0.79 -0.91 0.62 -0.46 0.00 0.00 0.00 175.76 175.80 3a0h s TRP 340 N -2.11 3.56 -0.01 0.00 -0.00 -1.26 -1.15 118.94 117.98 3a0h s TRP 340 Ca 0.14 1.13 -0.21 0.00 -0.00 0.00 0.00 56.10 57.16 3a0h s TRP 340 Cb 0.05 -2.71 -0.24 0.00 -0.00 0.00 0.00 33.47 30.57 3a0h s TRP 340 CO -0.05 0.13 1.08 0.87 -0.00 0.00 0.00 176.95 178.98 3a0h h LYS 341 N 6.68 0.36 0.00 5.86 1.57 -1.88 -2.82 116.57 126.35 3a0h h LYS 341 Ca -0.41 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 57.98 3a0h h LYS 341 Cb 1.19 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.61 3a0h h LYS 341 CO 0.75 1.07 0.00 0.41 -0.57 0.00 0.00 179.45 181.11 3a0h n GLY 342 N 1.07 4.11 3.73 3.86 0.00 -1.26 -0.39 105.19 116.32 3a0h n GLY 342 Ca -0.10 -1.32 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 3a0h n GLY 342 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3a0h s HIS 343 N -2.00 3.48 -0.51 1.61 2.46 -0.27 -4.60 115.29 115.45 3a0h s HIS 343 Ca 0.00 1.46 -0.14 0.00 0.47 0.00 0.00 55.06 56.85 3a0h s HIS 343 Cb 0.00 -3.38 0.12 0.00 -0.13 0.00 0.00 32.58 29.19 3a0h s HIS 343 CO 0.00 -1.03 0.44 0.00 -2.47 0.00 0.00 174.74 171.68 3a0h s ALA 344 N 0.02 3.56 -0.27 1.58 0.00 -1.26 -2.74 121.76 122.65 3a0h s ALA 344 Ca 0.52 -2.48 -0.12 0.00 0.00 0.00 0.00 51.96 49.88 3a0h s ALA 344 Cb -0.31 -3.10 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 3a0h s ALA 344 CO 0.35 -1.95 0.24 0.14 0.00 0.00 0.00 175.76 174.55 3a0h s VAL 345 N 1.53 5.28 -0.25 0.00 -7.23 -1.20 -4.95 120.40 113.58 3a0h s VAL 345 Ca 0.04 0.30 -0.18 0.00 -1.81 0.00 0.00 61.98 60.32 3a0h s VAL 345 Cb -0.28 -3.58 -0.03 0.00 0.56 0.00 0.00 36.38 33.06 3a0h s VAL 345 CO 0.02 0.24 0.52 -0.36 -0.31 0.00 0.00 175.10 175.21 3a0h s PHE 346 N 1.71 3.28 0.05 2.82 2.99 -1.25 -2.82 117.98 124.75 3a0h s PHE 346 Ca 0.10 0.66 -0.06 0.00 0.00 0.00 0.00 56.93 57.63 3a0h s PHE 346 Cb -0.15 -2.72 -0.05 0.00 0.00 0.00 0.00 43.02 40.10 3a0h s PHE 346 CO 0.10 -0.26 0.29 1.03 -0.00 0.00 0.00 175.22 176.37 3a0h s ARG 347 N 2.24 3.58 0.85 0.44 0.52 0.47 0.02 118.95 127.07 3a0h s ARG 347 Ca 0.22 -0.10 -0.14 0.00 -0.52 0.00 0.00 55.73 55.18 3a0h s ARG 347 Cb -0.16 -3.02 0.20 0.00 0.52 0.00 0.00 34.95 32.49 3a0h s ARG 347 CO 0.09 0.60 1.00 -1.71 0.02 0.00 0.00 175.30 175.30 3a0h n ASN 348 N 0.80 -0.56 0.04 0.23 2.85 0.14 -1.15 115.26 117.61 3a0h n ASN 348 Ca -0.09 -1.27 -0.05 0.00 -0.11 0.00 0.00 54.58 53.07 3a0h n ASN 348 Cb 0.52 -0.81 -0.10 0.00 1.24 0.00 0.00 39.78 40.63 3a0h n ASN 348 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 3a0h h LYS 349 N 0.00 0.00 0.00 1.20 3.64 -1.59 -3.18 116.57 116.64 3a0h h LYS 349 Ca -0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 3a0h h LYS 349 Cb 0.96 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 3a0h h LYS 349 CO 0.23 0.63 0.00 0.93 -2.27 0.00 0.00 179.45 178.97 3a0h h GLU 350 N 0.00 0.00 0.00 1.90 3.07 -1.88 -3.46 114.58 114.21 3a0h h GLU 350 Ca -0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 3a0h h GLU 350 Cb 1.77 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.68 3a0h h GLU 350 CO 0.09 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.11 3a0h n GLY 351 N 0.13 1.83 3.74 -3.84 0.00 -1.20 -5.08 105.19 100.76 3a0h n GLY 351 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 3a0h n GLY 351 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3a0h n GLU 352 N -0.66 1.83 -3.15 1.61 1.02 -1.26 -4.49 120.64 115.54 3a0h n GLU 352 Ca 0.00 0.66 -0.34 0.00 -0.02 0.00 0.00 57.16 57.46 3a0h n GLU 352 Cb 0.00 -2.55 -0.06 0.00 -0.02 0.00 0.00 31.44 28.81 3a0h n GLU 352 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3a0h s GLU 353 N -2.70 4.10 0.23 3.49 2.12 -1.26 0.28 118.70 124.95 3a0h s GLU 353 Ca 0.68 0.73 0.03 0.00 0.36 0.00 0.00 54.97 56.76 3a0h s GLU 353 Cb -0.43 -2.66 -0.05 0.00 0.26 0.00 0.00 34.13 31.25 3a0h s GLU 353 CO 0.52 0.28 0.02 -0.51 -0.54 0.00 0.00 175.26 175.03 3a0h s LEU 354 N -2.50 2.05 0.05 2.70 1.43 0.10 -4.05 118.68 118.47 3a0h s LEU 354 Ca 0.48 -1.26 0.06 0.00 -1.03 0.00 0.00 54.13 52.38 3a0h s LEU 354 Cb -0.13 -0.17 -0.02 0.00 0.03 0.00 0.00 46.19 45.89 3a0h s LEU 354 CO 0.19 -0.58 -0.16 -0.36 0.23 0.00 0.00 176.35 175.67 3a0h s PHE 355 N -3.53 1.40 -0.38 0.29 2.99 -0.78 -3.84 117.98 114.12 3a0h s PHE 355 Ca 0.30 -0.37 -0.26 0.00 0.00 0.00 0.00 56.93 56.60 3a0h s PHE 355 Cb 0.06 -0.82 0.02 0.00 0.00 0.00 0.00 43.02 42.28 3a0h s PHE 355 CO 0.09 0.06 0.95 0.08 -0.00 0.00 0.00 175.22 176.40 3a0h s VAL 356 N -0.89 4.54 -0.51 -0.44 1.01 -1.26 -1.27 120.40 121.59 3a0h s VAL 356 Ca 0.03 1.19 -0.27 0.00 0.00 0.00 0.00 61.98 62.93 3a0h s VAL 356 Cb -0.08 -4.37 -0.02 0.00 0.00 0.00 0.00 36.38 31.91 3a0h s VAL 356 CO 0.02 -0.59 1.84 -0.60 0.00 0.00 0.00 175.10 175.76 3a0h s ARG 357 N 3.58 2.88 1.02 2.72 3.52 0.13 -4.88 118.95 127.91 3a0h s ARG 357 Ca 0.39 0.91 -0.21 0.00 -0.13 0.00 0.00 55.73 56.69 3a0h s ARG 357 Cb -0.11 -4.32 -0.10 0.00 -1.56 0.00 0.00 34.95 28.86 3a0h s ARG 357 CO 0.20 -2.42 -0.79 0.54 -0.81 0.00 0.00 175.30 172.02 3a0h n ARG 358 N 8.88 -0.35 -3.52 5.12 1.74 -1.26 -4.58 116.66 122.69 3a0h n ARG 358 Ca 0.22 -0.09 -0.41 0.00 -0.77 0.00 0.00 57.85 56.79 3a0h n ARG 358 Cb 0.50 -1.24 -0.11 0.00 -1.02 0.00 0.00 32.46 30.59 3a0h n ARG 358 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3a0h s MET 359 N -2.49 3.08 0.08 5.56 0.23 -1.15 -5.06 119.30 119.56 3a0h s MET 359 Ca 0.44 -0.93 -0.31 0.00 -1.03 0.00 0.00 55.69 53.86 3a0h s MET 359 Cb -0.06 -3.85 -0.08 0.00 -1.53 0.00 0.00 34.83 29.31 3a0h s MET 359 CO 0.71 -0.64 1.58 -1.25 -2.03 0.00 0.00 175.02 173.39 3a0h s PRO 360 N 1.66 4.22 0.14 3.16 0.04 -1.26 -4.86 135.00 138.09 3a0h s PRO 360 Ca 0.05 2.26 0.10 0.00 0.04 0.00 0.00 61.00 63.45 3a0h s PRO 360 Cb -0.19 -3.50 0.35 0.00 0.04 0.00 0.00 34.50 31.21 3a0h s PRO 360 CO 0.09 -0.67 0.36 0.00 0.04 0.00 0.00 177.00 176.81 3a0h n ALA 361 N 5.21 0.39 0.14 8.56 0.00 -1.26 -1.42 120.51 132.13 3a0h n ALA 361 Ca 0.15 0.13 0.01 0.00 0.00 0.00 0.00 53.44 53.73 3a0h n ALA 361 Cb 0.41 -0.23 0.17 0.00 0.00 0.00 0.00 19.45 19.79 3a0h n ALA 361 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3a0h h PHE 362 N 0.00 0.00 -3.35 0.00 0.04 -1.99 -3.41 116.94 108.23 3a0h h PHE 362 Ca 0.19 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.37 3a0h h PHE 362 Cb 0.85 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.90 3a0h h PHE 362 CO 0.00 0.58 -0.26 -0.06 -0.60 0.00 0.00 178.31 177.98 3a0h s PHE 363 N -3.42 3.45 0.01 -0.55 2.99 -0.50 -4.92 117.98 115.03 3a0h s PHE 363 Ca -0.00 0.66 0.07 0.00 0.00 0.00 0.00 56.93 57.67 3a0h s PHE 363 Cb 0.11 -2.43 -0.23 0.00 0.00 0.00 0.00 43.02 40.47 3a0h s PHE 363 CO 0.74 0.16 0.87 0.93 -0.00 0.00 0.00 175.22 177.92 3a0h h GLU 364 N 6.86 0.06 -6.20 0.44 4.39 -1.90 -3.46 114.58 114.77 3a0h h GLU 364 Ca -0.40 -0.10 -0.46 0.00 0.34 0.00 0.00 59.36 58.74 3a0h h GLU 364 Cb 1.17 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 3a0h h GLU 364 CO 0.75 0.79 -0.43 -1.54 -1.16 0.00 0.00 179.01 177.42 3a0h s SER 365 N -6.48 6.28 0.00 1.42 1.04 -1.26 -5.12 113.70 109.58 3a0h s SER 365 Ca -0.05 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.43 3a0h s SER 365 Cb 0.08 -1.82 0.00 0.00 0.10 0.00 0.00 66.02 64.38 3a0h s SER 365 CO 0.83 -0.08 0.00 0.33 0.98 0.00 0.00 173.24 175.29 3a0h n PHE 366 N -1.41 0.00 -2.98 5.02 7.35 -1.26 -5.06 117.46 119.12 3a0h n PHE 366 Ca -0.09 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.20 3a0h n PHE 366 Cb 0.57 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.36 3a0h n PHE 366 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 3a0h s PRO 367 N -0.25 4.34 0.18 -7.13 0.04 -1.26 -5.05 135.00 125.87 3a0h s PRO 367 Ca 0.00 0.91 -0.30 0.00 0.04 0.00 0.00 61.00 61.65 3a0h s PRO 367 Cb 0.00 -3.53 -0.07 0.00 0.04 0.00 0.00 34.50 30.94 3a0h s PRO 367 CO 0.00 -0.16 1.03 0.14 0.04 0.00 0.00 177.00 178.04 3a0h s VAL 368 N 1.59 4.07 -0.02 -0.36 -7.23 -1.26 -5.02 120.40 112.17 3a0h s VAL 368 Ca 0.37 1.83 0.01 0.00 -1.81 0.00 0.00 61.98 62.38 3a0h s VAL 368 Cb -0.17 -4.17 0.01 0.00 0.56 0.00 0.00 36.38 32.61 3a0h s VAL 368 CO 0.15 0.34 -0.02 -0.63 -0.31 0.00 0.00 175.10 174.62 3a0h s ILE 369 N -0.42 0.27 -0.31 -0.62 1.01 -1.26 -3.41 121.20 116.46 3a0h s ILE 369 Ca 0.47 -0.06 -0.08 0.00 0.00 0.00 0.00 60.65 60.97 3a0h s ILE 369 Cb -0.27 -0.29 0.01 0.00 0.01 0.00 0.00 42.46 41.92 3a0h s ILE 369 CO 0.33 0.12 0.12 -0.76 0.00 0.00 0.00 174.94 174.76 3a0h s LEU 370 N 0.43 4.08 -0.01 2.97 1.02 0.48 0.17 118.68 127.83 3a0h s LEU 370 Ca -0.04 -0.72 -0.02 0.00 0.02 0.00 0.00 54.13 53.37 3a0h s LEU 370 Cb -0.07 -1.94 -0.04 0.00 0.02 0.00 0.00 46.19 44.16 3a0h s LEU 370 CO -0.01 -0.23 0.16 0.42 0.02 0.00 0.00 176.35 176.72 3a0h s THR 371 N 1.54 5.30 0.66 5.49 -4.23 -0.39 -1.23 115.64 122.77 3a0h s THR 371 Ca 0.03 -0.20 -0.18 0.00 -1.18 0.00 0.00 61.69 60.16 3a0h s THR 371 Cb -0.18 -3.46 -0.01 0.00 1.34 0.00 0.00 72.50 70.19 3a0h s THR 371 CO 0.04 0.34 1.26 -0.67 -0.54 0.00 0.00 174.62 175.05 3a0h n ASP 372 N 1.02 1.89 0.22 3.99 2.03 0.34 -1.87 116.55 124.17 3a0h n ASP 372 Ca -0.12 0.81 0.02 0.00 0.52 0.00 0.00 54.79 56.02 3a0h n ASP 372 Cb 0.53 -1.54 0.09 0.00 -0.72 0.00 0.00 41.12 39.48 3a0h n ASP 372 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 3a0h h LYS 373 N 0.43 0.00 -0.53 -0.67 2.10 -1.87 0.41 116.57 116.44 3a0h h LYS 373 Ca -0.50 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 57.82 3a0h h LYS 373 Cb 1.34 0.00 -0.20 0.00 -0.90 0.00 0.00 32.23 32.47 3a0h h LYS 373 CO 0.52 0.00 -0.11 0.09 -2.00 0.00 0.00 179.45 177.95 3a0h n ASN 374 N -2.05 3.63 0.00 7.07 5.03 -1.26 -4.95 115.26 122.73 3a0h n ASN 374 Ca -0.00 -3.79 0.00 0.00 0.87 0.00 0.00 54.58 51.66 3a0h n ASN 374 Cb 0.74 -0.62 0.00 0.00 -1.02 0.00 0.00 39.78 38.88 3a0h n ASN 374 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3a0h n GLY 375 N -1.02 2.83 3.74 7.41 0.00 0.14 -5.00 105.19 113.29 3a0h n GLY 375 Ca 0.40 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.11 3a0h n GLY 375 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a0h s VAL 376 N -2.34 2.98 -0.29 1.61 1.01 -1.24 -4.71 120.40 117.42 3a0h s VAL 376 Ca 0.00 0.32 -0.08 0.00 0.00 0.00 0.00 61.98 62.22 3a0h s VAL 376 Cb 0.00 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 3a0h s VAL 376 CO 0.00 -0.42 0.11 -0.69 0.00 0.00 0.00 175.10 174.10 3a0h s VAL 377 N -2.85 4.30 -0.33 2.92 1.01 -1.26 0.12 120.40 124.31 3a0h s VAL 377 Ca 0.63 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 62.17 3a0h s VAL 377 Cb -0.18 -3.17 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 3a0h s VAL 377 CO 0.57 0.13 0.34 0.29 0.00 0.00 0.00 175.10 176.43 3a0h n LYS 378 N 4.93 3.47 -3.61 2.72 4.76 -0.54 -4.86 118.16 125.03 3a0h n LYS 378 Ca -0.15 -0.28 -0.13 0.00 -2.87 0.00 0.00 58.31 54.89 3a0h n LYS 378 Cb 0.49 -0.84 -0.07 0.00 -1.84 0.00 0.00 35.03 32.78 3a0h n LYS 378 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3a0h s ALA 379 N -1.02 -1.86 0.36 7.82 0.00 -0.37 -4.94 121.76 121.75 3a0h s ALA 379 Ca 0.03 1.82 -0.14 0.00 0.00 0.00 0.00 51.96 53.67 3a0h s ALA 379 Cb 0.03 -1.03 0.04 0.00 0.00 0.00 0.00 23.12 22.16 3a0h s ALA 379 CO 0.13 -0.31 0.71 0.16 0.00 0.00 0.00 175.76 176.45 3a0h s ASP 380 N -0.07 0.11 -0.40 0.00 3.84 -1.18 0.18 116.67 119.16 3a0h s ASP 380 Ca -0.01 -1.11 0.04 0.00 -0.00 0.00 0.00 52.55 51.47 3a0h s ASP 380 Cb -0.04 0.79 0.11 0.00 -1.38 0.00 0.00 42.92 42.40 3a0h s ASP 380 CO 0.00 -1.55 0.12 -0.63 -0.00 0.00 0.00 175.17 173.11 3a0h s ILE 381 N -2.75 2.37 0.59 2.11 1.01 -1.22 -3.67 121.20 119.65 3a0h s ILE 381 Ca 0.18 -2.68 -0.18 0.00 0.00 0.00 0.00 60.65 57.97 3a0h s ILE 381 Cb -0.04 -2.72 -0.10 0.00 0.01 0.00 0.00 42.46 39.61 3a0h s ILE 381 CO 0.12 -0.67 0.28 -2.65 0.00 0.00 0.00 174.94 172.02 3a0h n PRO 382 N 3.86 0.31 -0.04 2.79 -0.02 -1.26 -4.87 135.00 135.77 3a0h n PRO 382 Ca 0.04 0.12 -0.07 0.00 -2.02 0.00 0.00 63.50 61.58 3a0h n PRO 382 Cb 0.39 -1.49 -0.03 0.00 -0.02 0.00 0.00 33.50 32.34 3a0h n PRO 382 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3a0h n PHE 383 N -1.79 0.00 0.12 6.00 -0.00 -1.26 -4.64 117.46 115.89 3a0h n PHE 383 Ca 0.10 0.00 -0.13 0.00 -0.00 0.00 0.00 57.45 57.42 3a0h n PHE 383 Cb 0.48 -0.29 -0.08 0.00 -0.00 0.00 0.00 39.48 39.59 3a0h n PHE 383 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3a0h h ARG 384 N -0.13 -0.30 0.00 -4.13 2.47 -1.98 -3.46 114.38 106.85 3a0h h ARG 384 Ca -0.18 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 3a0h h ARG 384 Cb 1.22 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.61 3a0h h ARG 384 CO -0.07 0.03 0.00 -2.13 0.56 0.00 0.00 179.97 178.36 3a0h n ARG 385 N -5.08 0.00 -0.02 0.04 0.63 -1.26 -4.66 116.66 106.31 3a0h n ARG 385 Ca -0.09 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 56.90 3a0h n ARG 385 Cb 0.24 -3.58 -0.13 0.00 0.45 0.00 0.00 32.46 29.44 3a0h n ARG 385 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3a0h n ALA 386 N 0.91 2.45 -1.66 5.13 0.00 -1.26 -4.24 120.51 121.84 3a0h n ALA 386 Ca 0.00 -0.54 0.03 0.00 0.00 0.00 0.00 53.44 52.93 3a0h n ALA 386 Cb 0.00 -0.50 0.19 0.00 0.00 0.00 0.00 19.45 19.13 3a0h n ALA 386 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3a0h n GLU 387 N -2.20 1.76 -2.19 0.00 1.02 -1.26 -5.04 120.64 112.72 3a0h n GLU 387 Ca -0.07 -3.37 -0.42 0.00 -0.02 0.00 0.00 57.16 53.28 3a0h n GLU 387 Cb 0.56 -1.65 -0.03 0.00 -0.02 0.00 0.00 31.44 30.30 3a0h n GLU 387 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3a0h s SER 388 N -3.25 6.86 -0.07 1.62 0.15 -1.26 -4.89 113.70 112.86 3a0h s SER 388 Ca 0.39 2.39 0.09 0.00 0.70 0.00 0.00 55.95 59.51 3a0h s SER 388 Cb 0.37 -2.60 -0.12 0.00 -1.71 0.00 0.00 66.02 61.96 3a0h s SER 388 CO -0.06 -0.57 0.08 0.29 1.20 0.00 0.00 173.24 174.18 3a0h n LYS 389 N 3.03 1.89 -0.29 5.44 5.02 -1.26 -4.75 118.16 127.24 3a0h n LYS 389 Ca 0.08 -0.03 0.08 0.00 -2.02 0.00 0.00 58.31 56.42 3a0h n LYS 389 Cb 0.43 -1.23 0.18 0.00 -0.02 0.00 0.00 35.03 34.38 3a0h n LYS 389 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3a0h n TYR 390 N -2.19 0.22 -1.71 2.13 4.02 -1.26 -4.91 117.16 113.46 3a0h n TYR 390 Ca -0.11 -1.13 -0.39 0.00 -0.01 0.00 0.00 57.90 56.25 3a0h n TYR 390 Cb 0.64 -0.22 0.03 0.00 -0.02 0.00 0.00 39.34 39.77 3a0h n TYR 390 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3a0h n SER 391 N -1.21 2.37 -0.24 7.72 2.88 -1.26 -3.08 113.62 120.79 3a0h n SER 391 Ca 0.19 1.01 0.03 0.00 -1.33 0.00 0.00 58.87 58.77 3a0h n SER 391 Cb 0.72 -1.52 0.12 0.00 -0.75 0.00 0.00 64.21 62.78 3a0h n SER 391 CO 0.00 0.00 0.00 -0.26 -1.23 0.00 0.00 175.04 173.55 3a0h h PHE 392 N 1.60 -0.15 -0.65 0.66 -1.00 -1.93 0.14 116.94 115.60 3a0h h PHE 392 Ca -0.49 0.06 -0.07 0.00 2.81 0.00 0.00 57.97 60.27 3a0h h PHE 392 Cb 1.31 0.18 -0.03 0.00 3.61 0.00 0.00 35.95 41.02 3a0h h PHE 392 CO 0.45 -0.24 0.12 0.93 -1.61 0.00 0.00 178.31 177.96 3a0h h GLU 393 N 0.07 1.07 -0.00 1.51 5.08 -1.92 0.46 114.58 120.84 3a0h h GLU 393 Ca 0.37 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3a0h h GLU 393 Cb 0.62 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3a0h h GLU 393 CO -0.65 0.98 -0.06 0.00 -1.00 0.00 0.00 179.01 178.28 3a0h n GLN 394 N -4.26 0.03 -0.03 2.33 10.64 -0.43 -3.04 117.38 122.62 3a0h n GLN 394 Ca 0.04 -0.00 0.04 0.00 -1.83 0.00 0.00 57.00 55.25 3a0h n GLN 394 Cb 0.28 -1.50 0.06 0.00 -0.86 0.00 0.00 30.24 28.21 3a0h n GLN 394 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 3a0h n GLN 395 N -1.48 2.36 -4.19 2.61 1.13 0.35 -4.93 117.38 113.23 3a0h n GLN 395 Ca 0.07 -1.92 -0.35 0.00 -1.94 0.00 0.00 57.00 52.86 3a0h n GLN 395 Cb 0.33 -1.20 -0.05 0.00 0.11 0.00 0.00 30.24 29.44 3a0h n GLN 395 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3a0h n GLY 396 N -0.83 -0.37 3.74 1.08 0.00 0.14 -3.64 105.19 105.30 3a0h n GLY 396 Ca 0.06 0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.99 3a0h n GLY 396 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a0h s VAL 397 N -4.06 2.75 0.12 1.61 1.01 -0.14 -2.88 120.40 118.81 3a0h s VAL 397 Ca 0.17 0.32 -0.23 0.00 0.00 0.00 0.00 61.98 62.23 3a0h s VAL 397 Cb -0.09 -2.76 0.06 0.00 0.00 0.00 0.00 36.38 33.60 3a0h s VAL 397 CO 0.98 -0.25 0.57 0.28 0.00 0.00 0.00 175.10 176.67 3a0h s THR 398 N -2.39 0.01 -0.03 3.92 -1.32 -0.30 -4.85 115.64 110.68 3a0h s THR 398 Ca 0.68 -0.11 0.02 0.00 -1.21 0.00 0.00 61.69 61.07 3a0h s THR 398 Cb -0.23 -1.02 0.01 0.00 -1.51 0.00 0.00 72.50 69.75 3a0h s THR 398 CO 0.48 -0.06 -0.09 -0.69 -2.21 0.00 0.00 174.62 172.05 3a0h s VAL 399 N -3.31 0.83 0.34 5.08 1.01 -0.93 -0.39 120.40 123.03 3a0h s VAL 399 Ca -0.01 -0.37 0.09 0.00 0.00 0.00 0.00 61.98 61.69 3a0h s VAL 399 Cb -0.00 -0.75 -0.06 0.00 0.00 0.00 0.00 36.38 35.57 3a0h s VAL 399 CO -0.09 0.26 0.01 -0.44 0.00 0.00 0.00 175.10 174.85 3a0h s SER 400 N 0.29 4.15 -0.02 3.32 0.01 -1.13 0.53 113.70 120.86 3a0h s SER 400 Ca -0.05 -1.02 0.01 0.00 1.31 0.00 0.00 55.95 56.20 3a0h s SER 400 Cb -0.10 -0.52 0.01 0.00 0.21 0.00 0.00 66.02 65.63 3a0h s SER 400 CO 0.01 -0.25 -0.03 -0.36 0.41 0.00 0.00 173.24 173.01 3a0h s PHE 401 N -2.53 0.50 -0.04 2.43 0.08 0.71 -3.24 117.98 115.88 3a0h s PHE 401 Ca 0.35 -0.10 0.04 0.00 0.12 0.00 0.00 56.93 57.34 3a0h s PHE 401 Cb 0.00 -0.43 -0.00 0.00 -0.57 0.00 0.00 43.02 42.02 3a0h s PHE 401 CO 0.19 -0.10 -0.16 0.71 -0.10 0.00 0.00 175.22 175.77 3a0h s TYR 402 N 0.50 1.63 0.01 0.36 1.51 -1.11 -0.33 117.35 119.92 3a0h s TYR 402 Ca -0.06 -0.48 0.00 0.00 -1.01 0.00 0.00 57.07 55.52 3a0h s TYR 402 Cb -0.09 -1.11 0.00 0.00 -0.11 0.00 0.00 41.96 40.65 3a0h s TYR 402 CO -0.00 -0.17 0.00 0.41 -1.11 0.00 0.00 175.55 174.67 3a0h n GLY 403 N 3.23 -2.06 7.00 0.71 0.00 -1.26 -1.12 105.19 111.69 3a0h n GLY 403 Ca -0.19 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.42 3a0h n GLY 403 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a0h n GLY 404 N -0.34 1.47 0.00 -0.02 0.00 -1.25 -1.46 105.19 103.60 3a0h n GLY 404 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 3a0h n GLY 404 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3a0h n GLU 405 N 12.79 1.09 -0.03 1.61 0.28 0.43 -4.63 120.64 132.18 3a0h n GLU 405 Ca 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.88 3a0h n GLU 405 Cb 0.00 -0.99 -0.07 0.00 1.43 0.00 0.00 31.44 31.80 3a0h n GLU 405 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 3a0h h LEU 406 N 0.00 0.15 0.00 -1.84 4.07 -0.84 -3.49 115.31 113.37 3a0h h LEU 406 Ca 0.00 -0.31 0.00 0.00 0.08 0.00 0.00 57.88 57.65 3a0h h LEU 406 Cb 0.26 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 41.96 3a0h h LEU 406 CO 0.00 0.42 0.00 -3.20 -1.08 0.00 0.00 178.44 174.58 3a0h n ASN 407 N -4.83 0.00 0.00 -0.43 5.15 -0.53 -3.53 115.26 111.09 3a0h n ASN 407 Ca -0.06 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.92 3a0h n ASN 407 Cb 0.19 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.44 3a0h n ASN 407 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3a0h n GLY 408 N 0.00 0.00 3.85 8.20 0.00 0.55 -4.87 105.19 112.92 3a0h n GLY 408 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3a0h n GLY 408 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3a0h s GLN 409 N -0.71 3.03 0.02 1.61 0.74 -1.23 -4.92 119.66 118.21 3a0h s GLN 409 Ca 0.00 -0.97 0.00 0.00 0.05 0.00 0.00 55.36 54.44 3a0h s GLN 409 Cb 0.00 -2.64 -0.02 0.00 1.10 0.00 0.00 33.01 31.45 3a0h s GLN 409 CO 0.00 0.42 -0.03 0.95 -0.55 0.00 0.00 175.29 176.08 3a0h s THR 410 N -2.06 0.11 -0.06 -0.34 -4.23 -1.26 -0.21 115.64 107.60 3a0h s THR 410 Ca 0.33 -0.82 0.04 0.00 -1.18 0.00 0.00 61.69 60.06 3a0h s THR 410 Cb -0.08 -0.25 -0.00 0.00 1.34 0.00 0.00 72.50 73.51 3a0h s THR 410 CO 0.26 -0.45 -0.20 -0.36 -0.54 0.00 0.00 174.62 173.33 3a0h s PHE 411 N -1.31 2.04 -0.11 3.99 0.08 0.19 -4.98 117.98 117.88 3a0h s PHE 411 Ca -0.14 -0.69 0.06 0.00 0.12 0.00 0.00 56.93 56.28 3a0h s PHE 411 Cb -0.09 -1.38 -0.10 0.00 -0.57 0.00 0.00 43.02 40.88 3a0h s PHE 411 CO -0.01 -0.26 -0.02 -2.37 -0.10 0.00 0.00 175.22 172.46 3a0h n THR 412 N 3.30 0.68 -1.62 0.64 5.66 -1.26 -2.18 114.28 119.50 3a0h n THR 412 Ca -0.19 -0.36 -0.47 0.00 -3.05 0.00 0.00 64.05 59.98 3a0h n THR 412 Cb 0.53 -0.82 -0.05 0.00 -1.55 0.00 0.00 70.33 68.44 3a0h n THR 412 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3a0h n ASP 413 N -2.56 3.24 -0.34 1.09 5.68 -1.26 -4.79 116.55 117.61 3a0h n ASP 413 Ca -0.18 0.73 0.28 0.00 -0.50 0.00 0.00 54.79 55.12 3a0h n ASP 413 Cb 0.78 -1.40 0.46 0.00 -1.14 0.00 0.00 41.12 39.83 3a0h n ASP 413 CO 0.00 0.00 0.00 -2.65 -1.33 0.00 0.00 177.20 173.22 3a0h n PRO 414 N 7.37 -0.02 0.00 0.11 -0.02 -1.26 -2.03 135.00 139.16 3a0h n PRO 414 Ca 0.27 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 3a0h n PRO 414 Cb 0.32 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 3a0h n PRO 414 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3a0h n PRO 415 N -3.81 0.00 -0.34 0.52 -0.02 -1.26 -2.58 135.00 127.51 3a0h n PRO 415 Ca 0.27 0.22 0.24 0.00 -2.02 0.00 0.00 63.50 62.21 3a0h n PRO 415 Cb 1.08 -1.02 0.48 0.00 -0.02 0.00 0.00 33.50 34.02 3a0h n PRO 415 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3a0h h THR 416 N 0.00 0.33 -0.35 3.45 2.02 -1.80 0.46 112.91 117.02 3a0h h THR 416 Ca 0.00 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 67.09 3a0h h THR 416 Cb 0.00 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.34 3a0h h THR 416 CO 0.00 0.06 0.16 0.58 0.37 0.00 0.00 175.52 176.69 3a0h h VAL 417 N 0.34 0.96 0.00 3.16 2.07 -1.54 0.72 116.25 121.96 3a0h h VAL 417 Ca 0.72 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 68.12 3a0h h VAL 417 Cb 1.69 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 3a0h h VAL 417 CO -0.55 0.06 0.00 0.29 0.02 0.00 0.00 177.57 177.40 3a0h n LYS 418 N -4.96 0.00 -0.01 1.57 5.02 0.15 -2.55 118.16 117.39 3a0h n LYS 418 Ca 0.01 0.35 -0.00 0.00 -2.02 0.00 0.00 58.31 56.65 3a0h n LYS 418 Cb 0.10 -1.23 -0.00 0.00 -0.02 0.00 0.00 35.03 33.87 3a0h n LYS 418 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3a0h n SER 419 N -1.37 -0.02 -0.61 4.39 2.88 -0.64 0.25 113.62 118.51 3a0h n SER 419 Ca 0.00 0.34 0.48 0.00 -1.33 0.00 0.00 58.87 58.36 3a0h n SER 419 Cb 0.00 -0.16 0.77 0.00 -0.75 0.00 0.00 64.21 64.07 3a0h n SER 419 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 3a0h h TYR 420 N 0.00 0.16 0.41 0.66 0.05 -0.81 0.96 116.97 118.41 3a0h h TYR 420 Ca 0.00 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.77 3a0h h TYR 420 Cb 0.01 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 37.71 3a0h h TYR 420 CO -0.31 -0.08 -0.20 0.00 -1.05 0.00 0.00 178.16 176.52 3a0h h ALA 421 N 1.22 -0.56 -1.15 3.88 0.00 0.37 -2.28 119.26 120.75 3a0h h ALA 421 Ca 0.89 -0.14 0.32 0.00 0.00 0.00 0.00 54.91 55.98 3a0h h ALA 421 Cb 3.36 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 21.29 3a0h h ALA 421 CO -0.15 -0.53 0.79 -0.09 0.00 0.00 0.00 179.25 179.28 3a0h h ARG 422 N -1.12 0.13 0.00 0.00 2.43 -0.58 1.43 114.38 116.66 3a0h h ARG 422 Ca -0.06 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3a0h h ARG 422 Cb 0.46 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3a0h h ARG 422 CO 0.09 0.08 -0.31 1.17 -1.51 0.00 0.00 179.97 179.50 3a0h n LYS 423 N -4.35 0.09 0.12 0.20 4.81 -0.87 -3.18 118.16 114.98 3a0h n LYS 423 Ca 0.26 0.04 0.06 0.00 -0.87 0.00 0.00 58.31 57.81 3a0h n LYS 423 Cb 1.14 -1.57 0.03 0.00 0.02 0.00 0.00 35.03 34.64 3a0h n LYS 423 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3a0h h ALA 424 N 2.85 0.70 0.00 3.14 0.00 0.25 -3.14 119.26 123.05 3a0h h ALA 424 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3a0h h ALA 424 Cb 0.58 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3a0h h ALA 424 CO 0.00 0.39 0.00 1.51 0.00 0.00 0.00 179.25 181.15 3a0h n ILE 425 N -2.98 1.58 1.18 0.00 3.06 -0.54 -0.76 119.36 120.90 3a0h n ILE 425 Ca -0.01 0.42 0.12 0.00 -2.50 0.00 0.00 62.75 60.79 3a0h n ILE 425 Cb 0.67 -1.33 0.25 0.00 0.54 0.00 0.00 39.64 39.77 3a0h n ILE 425 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 3a0h n PHE 426 N -1.56 0.00 0.00 9.51 3.72 -1.19 -2.91 117.46 125.03 3a0h n PHE 426 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 3a0h n PHE 426 Cb 0.07 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 3a0h n PHE 426 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a0h n GLY 427 N 1.34 0.25 3.65 1.37 0.00 0.06 0.10 105.19 111.96 3a0h n GLY 427 Ca 0.13 -1.30 -0.40 0.00 0.00 0.00 0.00 46.02 44.44 3a0h n GLY 427 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3a0h s GLU 428 N 0.00 4.19 0.81 1.61 0.41 -0.71 -4.66 118.70 120.35 3a0h s GLU 428 Ca 0.00 0.58 -0.13 0.00 -0.41 0.00 0.00 54.97 55.01 3a0h s GLU 428 Cb 0.00 -3.59 0.09 0.00 -1.78 0.00 0.00 34.13 28.85 3a0h s GLU 428 CO 0.00 -0.25 1.19 0.42 -0.49 0.00 0.00 175.26 176.13 3a0h s ILE 429 N 1.96 2.12 0.32 -1.63 1.09 -1.26 -4.83 121.20 118.97 3a0h s ILE 429 Ca 0.28 0.05 -0.07 0.00 -1.10 0.00 0.00 60.65 59.81 3a0h s ILE 429 Cb -0.16 -2.43 0.01 0.00 -1.06 0.00 0.00 42.46 38.83 3a0h s ILE 429 CO 0.10 -0.04 0.52 -0.36 -0.10 0.00 0.00 174.94 175.06 3a0h s PHE 430 N -2.21 0.74 -0.26 3.97 0.40 -1.26 -3.73 117.98 115.62 3a0h s PHE 430 Ca 0.72 -1.07 0.03 0.00 -0.60 0.00 0.00 56.93 56.00 3a0h s PHE 430 Cb -0.28 0.12 0.06 0.00 0.51 0.00 0.00 43.02 43.43 3a0h s PHE 430 CO 0.51 -1.16 -0.11 -2.00 0.70 0.00 0.00 175.22 173.16 3a0h s GLU 431 N -3.20 2.30 -0.21 0.44 2.12 -0.30 -4.81 118.70 115.04 3a0h s GLU 431 Ca 0.26 -1.31 -0.07 0.00 0.36 0.00 0.00 54.97 54.21 3a0h s GLU 431 Cb -0.01 -2.88 -0.03 0.00 0.26 0.00 0.00 34.13 31.46 3a0h s GLU 431 CO 0.16 -0.55 0.05 -0.06 -0.54 0.00 0.00 175.26 174.32 3a0h s PHE 432 N 1.12 3.13 -0.33 5.30 0.08 -1.26 0.22 117.98 126.24 3a0h s PHE 432 Ca -0.08 -0.23 -0.27 0.00 0.12 0.00 0.00 56.93 56.47 3a0h s PHE 432 Cb -0.20 -2.13 0.01 0.00 -0.57 0.00 0.00 43.02 40.13 3a0h s PHE 432 CO -0.05 -0.13 0.99 0.34 -0.10 0.00 0.00 175.22 176.27 3a0h s ASP 433 N 0.97 6.81 -0.14 1.36 2.15 0.36 -4.75 116.67 123.42 3a0h s ASP 433 Ca 0.03 0.84 0.13 0.00 0.43 0.00 0.00 52.55 53.98 3a0h s ASP 433 Cb -0.14 -2.50 -0.18 0.00 -0.30 0.00 0.00 42.92 39.80 3a0h s ASP 433 CO 0.03 -0.84 0.06 0.35 -0.17 0.00 0.00 175.17 174.59 3a0h n THR 434 N 5.86 1.00 -0.05 1.71 -2.24 -1.26 -0.69 114.28 118.61 3a0h n THR 434 Ca 0.09 -0.62 -0.09 0.00 -2.27 0.00 0.00 64.05 61.16 3a0h n THR 434 Cb 0.48 -0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 68.08 3a0h n THR 434 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3a0h h GLU 435 N 0.00 -0.30 -0.68 -0.78 4.57 -1.94 0.71 114.58 116.18 3a0h h GLU 435 Ca -0.40 0.02 0.13 0.00 -1.18 0.00 0.00 59.36 57.93 3a0h h GLU 435 Cb 1.90 0.07 -0.13 0.00 -0.16 0.00 0.00 28.75 30.43 3a0h h GLU 435 CO 0.02 -0.20 -0.25 1.15 -1.18 0.00 0.00 179.01 178.55 3a0h h THR 436 N -0.31 0.22 0.00 0.32 2.02 -2.00 0.27 112.91 113.43 3a0h h THR 436 Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.31 3a0h h THR 436 Cb 0.52 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 3a0h h THR 436 CO -0.42 0.00 -1.09 0.18 0.37 0.00 0.00 175.52 174.56 3a0h n LEU 437 N -5.46 0.71 -2.26 2.58 4.77 -1.18 -5.00 117.00 111.16 3a0h n LEU 437 Ca 0.07 0.24 -0.02 0.00 -0.03 0.00 0.00 56.01 56.27 3a0h n LEU 437 Cb 0.37 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.39 3a0h n LEU 437 CO 0.00 -0.13 0.13 -3.20 -1.33 0.00 0.00 177.39 172.86 3a0h n ASN 438 N -2.49 -4.60 -4.30 -1.43 2.85 0.24 -4.98 115.26 100.55 3a0h n ASN 438 Ca 0.00 -0.11 -0.29 0.00 -0.11 0.00 0.00 54.58 54.07 3a0h n ASN 438 Cb 0.53 -2.96 0.20 0.00 1.24 0.00 0.00 39.78 38.79 3a0h n ASN 438 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 3a0h s SER 439 N -2.65 2.15 -0.10 1.20 0.01 -0.65 -4.97 113.70 108.69 3a0h s SER 439 Ca 0.06 0.82 0.12 0.00 1.31 0.00 0.00 55.95 58.25 3a0h s SER 439 Cb -0.01 -1.23 -0.17 0.00 0.21 0.00 0.00 66.02 64.82 3a0h s SER 439 CO 0.35 -3.38 0.10 -0.90 0.41 0.00 0.00 173.24 169.82 3a0h n ASP 440 N -4.29 1.83 0.00 2.44 3.85 -1.23 -4.96 116.55 114.18 3a0h n ASP 440 Ca 0.10 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.18 3a0h n ASP 440 Cb 0.59 1.00 0.00 0.00 -1.35 0.00 0.00 41.12 41.36 3a0h n ASP 440 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3a0h n GLY 441 N 2.10 1.08 3.36 6.12 0.00 -0.99 -5.08 105.19 111.78 3a0h n GLY 441 Ca -0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 3a0h n GLY 441 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a0h s ILE 442 N -2.00 2.04 0.71 -0.61 1.01 -1.25 -4.89 121.20 116.22 3a0h s ILE 442 Ca 0.00 -1.88 -0.11 0.00 0.00 0.00 0.00 60.65 58.65 3a0h s ILE 442 Cb 0.00 -1.92 0.02 0.00 0.01 0.00 0.00 42.46 40.57 3a0h s ILE 442 CO 0.00 -0.16 1.08 -0.36 0.00 0.00 0.00 174.94 175.50 3a0h s PHE 443 N -1.66 3.18 0.24 3.97 0.08 -1.26 -3.95 117.98 118.58 3a0h s PHE 443 Ca 0.16 1.22 0.01 0.00 0.12 0.00 0.00 56.93 58.44 3a0h s PHE 443 Cb -0.08 -2.97 -0.05 0.00 -0.57 0.00 0.00 43.02 39.35 3a0h s PHE 443 CO 0.07 -1.28 0.09 1.03 -0.10 0.00 0.00 175.22 175.03 3a0h s ARG 444 N -5.19 1.36 0.02 0.44 3.00 -1.26 -4.57 118.95 112.74 3a0h s ARG 444 Ca 0.58 -1.72 -0.00 0.00 0.00 0.00 0.00 55.73 54.59 3a0h s ARG 444 Cb -0.13 -0.22 -0.04 0.00 0.00 0.00 0.00 34.95 34.56 3a0h s ARG 444 CO 0.54 -0.28 0.13 -0.08 0.00 0.00 0.00 175.30 175.61 3a0h s THR 445 N -3.77 5.00 0.70 0.02 -1.32 -1.26 -4.02 115.64 110.98 3a0h s THR 445 Ca 0.36 -0.39 -0.13 0.00 -1.21 0.00 0.00 61.69 60.32 3a0h s THR 445 Cb 0.08 -3.35 0.02 0.00 -1.51 0.00 0.00 72.50 67.74 3a0h s THR 445 CO 0.12 0.28 1.09 -0.94 -2.21 0.00 0.00 174.62 172.96 3a0h s SER 446 N -2.01 4.99 0.20 8.08 1.04 -1.26 -4.58 113.70 120.16 3a0h s SER 446 Ca 0.27 1.88 -0.23 0.00 0.48 0.00 0.00 55.95 58.35 3a0h s SER 446 Cb -0.12 -2.53 0.11 0.00 0.10 0.00 0.00 66.02 63.57 3a0h s SER 446 CO 0.19 -1.70 1.52 -2.65 0.98 0.00 0.00 173.24 171.58 3a0h n PRO 447 N -2.84 -0.32 -0.32 4.02 -0.02 -1.26 0.30 135.00 134.57 3a0h n PRO 447 Ca 0.09 1.51 0.16 0.00 -2.02 0.00 0.00 63.50 63.24 3a0h n PRO 447 Cb 0.53 -2.22 0.33 0.00 -0.02 0.00 0.00 33.50 32.11 3a0h n PRO 447 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3a0h h ARG 448 N 0.00 0.09 0.52 -0.52 2.43 -1.91 0.26 114.38 115.24 3a0h h ARG 448 Ca 0.26 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 3a0h h ARG 448 Cb 0.51 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 3a0h h ARG 448 CO -0.96 0.06 -0.36 0.78 -1.51 0.00 0.00 179.97 177.98 3a0h h GLY 449 N 0.09 -1.07 0.22 2.80 0.00 0.44 -2.74 103.07 102.81 3a0h h GLY 449 Ca 0.62 0.46 0.01 0.00 0.00 0.00 0.00 47.33 48.42 3a0h h GLY 449 CO -0.79 -0.36 -0.48 1.49 0.00 0.00 0.00 176.54 176.41 3a0h h TRP 450 N -0.83 -1.36 -1.01 5.60 4.06 0.16 -2.32 115.95 120.26 3a0h h TRP 450 Ca -0.07 0.03 0.38 0.00 2.06 0.00 0.00 58.89 61.29 3a0h h TRP 450 Cb 0.68 0.57 -0.17 0.00 -1.00 0.00 0.00 29.16 29.25 3a0h h TRP 450 CO -0.09 -0.57 0.56 0.35 -3.56 0.00 0.00 178.44 175.13 3a0h h PHE 451 N -0.73 0.87 0.32 0.49 3.57 -1.00 0.46 116.94 120.93 3a0h h PHE 451 Ca 0.00 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 3a0h h PHE 451 Cb 0.73 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.26 3a0h h PHE 451 CO -0.40 -0.34 -0.15 1.15 -2.23 0.00 0.00 178.31 176.34 3a0h h THR 452 N 0.14 0.65 0.00 4.41 2.02 -1.10 -2.14 112.91 116.90 3a0h h THR 452 Ca 0.80 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 67.36 3a0h h THR 452 Cb 2.00 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 69.36 3a0h h THR 452 CO -0.69 0.11 0.00 0.33 0.37 0.00 0.00 175.52 175.64 3a0h n PHE 453 N -5.13 0.40 -0.02 3.16 7.35 0.11 -2.86 117.46 120.47 3a0h n PHE 453 Ca -0.09 0.20 -0.00 0.00 -0.76 0.00 0.00 57.45 56.80 3a0h n PHE 453 Cb 0.27 -0.82 -0.00 0.00 0.35 0.00 0.00 39.48 39.28 3a0h n PHE 453 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3a0h h ALA 454 N 2.07 0.00 0.00 3.13 0.00 0.26 -3.24 119.26 121.48 3a0h h ALA 454 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 3a0h h ALA 454 Cb 0.06 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3a0h h ALA 454 CO 0.00 0.01 -0.17 0.72 0.00 0.00 0.00 179.25 179.81 3a0h n HIS 455 N -3.09 0.00 0.00 0.00 8.25 -0.86 -2.16 115.22 117.37 3a0h n HIS 455 Ca -0.00 -1.12 0.00 0.00 -0.26 0.00 0.00 57.72 56.34 3a0h n HIS 455 Cb 0.01 -1.23 0.00 0.00 1.12 0.00 0.00 29.99 29.89 3a0h n HIS 455 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3a0h n ALA 456 N 2.49 2.06 0.25 -1.41 0.00 -1.13 -4.43 120.51 118.34 3a0h n ALA 456 Ca 0.29 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.83 3a0h n ALA 456 Cb 0.68 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.78 3a0h n ALA 456 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3a0h h VAL 457 N 0.00 0.88 0.38 0.00 2.07 -1.56 0.21 116.25 118.22 3a0h h VAL 457 Ca 0.00 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 3a0h h VAL 457 Cb 0.00 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3a0h h VAL 457 CO 0.00 0.10 -0.18 -0.26 0.02 0.00 0.00 177.57 177.24 3a0h h PHE 458 N 0.00 -0.47 -0.46 1.57 0.04 -1.71 -2.50 116.94 113.41 3a0h h PHE 458 Ca -0.00 -0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.67 3a0h h PHE 458 Cb 0.20 0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.48 3a0h h PHE 458 CO 0.00 -0.14 -0.05 0.00 -0.60 0.00 0.00 178.31 177.51 3a0h h ALA 459 N -0.45 1.04 0.00 2.45 0.00 -1.67 -1.42 119.26 119.20 3a0h h ALA 459 Ca -0.05 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3a0h h ALA 459 Cb 0.54 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3a0h h ALA 459 CO 0.09 0.59 0.00 1.25 0.00 0.00 0.00 179.25 181.17 3a0h h LEU 460 N 0.73 0.00 0.01 0.00 6.46 -0.63 -2.86 115.31 119.02 3a0h h LEU 460 Ca 0.13 0.00 -0.26 0.00 -0.12 0.00 0.00 57.88 57.63 3a0h h LEU 460 Cb 0.52 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.42 3a0h h LEU 460 CO 0.03 0.00 -1.41 0.18 -0.62 0.00 0.00 178.44 176.61 3a0h n LEU 461 N -2.62 1.94 -0.33 2.25 4.77 -0.92 -4.34 117.00 117.75 3a0h n LEU 461 Ca 0.00 0.40 0.25 0.00 -0.03 0.00 0.00 56.01 56.62 3a0h n LEU 461 Cb 0.19 -0.97 0.54 0.00 -2.33 0.00 0.00 43.42 40.84 3a0h n LEU 461 CO 0.20 0.35 1.23 -0.26 -1.33 0.00 0.00 177.39 177.58 3a0h h PHE 462 N -0.90 0.60 0.00 -1.77 0.04 -1.05 2.80 116.94 116.66 3a0h h PHE 462 Ca -0.38 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.41 3a0h h PHE 462 Cb 1.39 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 39.37 3a0h h PHE 462 CO 0.08 0.03 0.00 0.35 -0.60 0.00 0.00 178.31 178.18 3a0h h PHE 463 N 0.34 0.00 0.00 -0.55 3.57 -1.72 0.43 116.94 119.01 3a0h h PHE 463 Ca 0.61 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.91 3a0h h PHE 463 Cb 1.64 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.35 3a0h h PHE 463 CO -0.00 0.00 -0.93 0.35 -2.23 0.00 0.00 178.31 175.50 3a0h h PHE 464 N 0.00 0.00 -0.32 0.41 3.57 0.48 -1.05 116.94 120.04 3a0h h PHE 464 Ca 0.00 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.36 3a0h h PHE 464 Cb 0.17 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 3a0h h PHE 464 CO 0.00 0.93 -0.33 0.78 -2.23 0.00 0.00 178.31 177.46 3a0h h GLY 465 N 2.77 0.85 0.36 2.40 0.00 -0.08 0.18 103.07 109.55 3a0h h GLY 465 Ca -0.01 -0.88 0.05 0.00 0.00 0.00 0.00 47.33 46.49 3a0h h GLY 465 CO 0.12 0.79 -0.20 0.84 0.00 0.00 0.00 176.54 178.09 3a0h h HIS 466 N 0.55 -0.52 0.00 5.60 -0.00 -0.51 0.62 115.15 120.88 3a0h h HIS 466 Ca 0.05 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.39 3a0h h HIS 466 Cb 0.91 0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 28.56 3a0h h HIS 466 CO 0.07 -0.28 -0.24 0.82 -0.00 0.00 0.00 177.93 178.30 3a0h h ILE 467 N -0.25 1.12 0.09 6.26 2.04 -1.05 -0.04 117.51 125.68 3a0h h ILE 467 Ca 0.10 -0.84 -0.13 0.00 1.00 0.00 0.00 64.86 64.99 3a0h h ILE 467 Cb 0.40 1.46 0.01 0.00 -0.74 0.00 0.00 36.82 37.96 3a0h h ILE 467 CO -0.28 0.24 -0.56 -0.25 0.00 0.00 0.00 178.15 177.30 3a0h h TRP 468 N 0.00 0.39 -0.04 1.37 2.91 0.12 -2.98 115.95 117.71 3a0h h TRP 468 Ca -0.00 -0.27 -0.23 0.00 1.13 0.00 0.00 58.89 59.51 3a0h h TRP 468 Cb 0.44 -0.02 0.01 0.00 -0.51 0.00 0.00 29.16 29.08 3a0h h TRP 468 CO 0.00 1.20 -0.90 0.45 -1.03 0.00 0.00 178.44 178.16 3a0h h HIS 469 N -0.53 0.80 -0.66 2.65 3.86 0.13 -1.27 115.15 120.13 3a0h h HIS 469 Ca -0.09 -0.40 0.08 0.00 -1.16 0.00 0.00 60.37 58.79 3a0h h HIS 469 Cb 1.42 -0.10 -0.07 0.00 1.06 0.00 0.00 27.41 29.72 3a0h h HIS 469 CO 0.22 1.22 0.32 0.78 0.86 0.00 0.00 177.93 181.33 3a0h h GLY 470 N 0.91 0.97 2.00 2.45 0.00 -1.14 1.20 103.07 109.45 3a0h h GLY 470 Ca -0.08 -0.20 -0.08 0.00 0.00 0.00 0.00 47.33 46.97 3a0h h GLY 470 CO 0.17 0.07 -0.40 0.00 0.00 0.00 0.00 176.54 176.38 3a0h h ALA 471 N 1.39 1.09 -0.01 3.60 0.00 -1.43 -2.03 119.26 121.88 3a0h h ALA 471 Ca 0.32 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3a0h h ALA 471 Cb 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3a0h h ALA 471 CO -0.25 0.49 -0.24 -2.13 0.00 0.00 0.00 179.25 177.13 3a0h n ARG 472 N -3.69 1.30 -0.07 0.00 0.00 0.00 -2.36 116.66 111.84 3a0h n ARG 472 Ca -0.01 -0.91 -0.09 0.00 -0.00 0.00 0.00 57.85 56.84 3a0h n ARG 472 Cb 0.48 -1.48 -0.05 0.00 0.00 0.00 0.00 32.46 31.41 3a0h n ARG 472 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 3a0h h THR 473 N 2.23 0.51 -0.41 5.15 2.02 0.17 -3.32 112.91 119.26 3a0h h THR 473 Ca 0.00 -1.49 -0.14 0.00 0.77 0.00 0.00 66.41 65.55 3a0h h THR 473 Cb 0.64 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 3a0h h THR 473 CO 0.00 0.17 -0.31 -0.07 0.37 0.00 0.00 175.52 175.69 3a0h h LEU 474 N -1.00 0.97 -3.90 2.58 3.38 -1.51 -3.26 115.31 112.57 3a0h h LEU 474 Ca -0.07 -0.41 -0.42 0.00 0.09 0.00 0.00 57.88 57.07 3a0h h LEU 474 Cb 0.62 -0.27 -0.25 0.00 0.09 0.00 0.00 40.66 40.85 3a0h h LEU 474 CO -0.04 1.19 0.52 0.49 0.09 0.00 0.00 178.44 180.69 3a0h n PHE 475 N -4.08 2.81 0.00 1.13 0.99 -0.99 -4.46 117.46 112.86 3a0h n PHE 475 Ca -0.01 -1.67 0.00 0.00 -0.00 0.00 0.00 57.45 55.77 3a0h n PHE 475 Cb 0.50 -0.86 0.00 0.00 -1.00 0.00 0.00 39.48 38.12 3a0h n PHE 475 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.76 179.65 3a0h n ARG 476 N -0.90 0.00 -0.06 -1.08 -4.01 -1.23 -0.78 116.66 108.61 3a0h n ARG 476 Ca 0.54 0.39 -0.02 0.00 -1.04 0.00 0.00 57.85 57.72 3a0h n ARG 476 Cb 1.57 -1.57 -0.01 0.00 -3.04 0.00 0.00 32.46 29.41 3a0h n ARG 476 CO 0.00 0.00 0.00 -0.44 -3.04 0.00 0.00 177.63 174.15 3a0h h ASP 477 N 0.00 0.00 0.80 2.89 3.32 -1.89 -3.36 116.42 118.18 3a0h h ASP 477 Ca 0.00 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 3a0h h ASP 477 Cb 0.14 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3a0h h ASP 477 CO 0.00 0.58 -0.20 0.58 -1.72 0.00 0.00 179.24 178.48 3a0h h VAL 478 N -1.00 0.55 -0.43 -1.35 2.07 -1.58 -3.34 116.25 111.18 3a0h h VAL 478 Ca -0.00 -1.00 0.08 0.00 0.82 0.00 0.00 66.70 66.60 3a0h h VAL 478 Cb 0.16 1.68 -0.08 0.00 -1.52 0.00 0.00 31.29 31.53 3a0h h VAL 478 CO -0.00 0.20 -0.12 0.33 0.02 0.00 0.00 177.57 178.00 3a0h n PHE 479 N -3.44 0.12 0.39 1.57 -0.00 0.04 -1.61 117.46 114.54 3a0h n PHE 479 Ca -0.00 0.52 -0.16 0.00 -0.00 0.00 0.00 57.45 57.81 3a0h n PHE 479 Cb 0.39 -0.73 -0.07 0.00 -0.00 0.00 0.00 39.48 39.07 3a0h n PHE 479 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 3a0h h SER 480 N 0.00 -0.87 -3.52 -2.13 0.02 -1.82 -3.49 113.55 101.75 3a0h h SER 480 Ca 0.19 0.03 -0.20 0.00 -0.84 0.00 0.00 61.79 60.97 3a0h h SER 480 Cb 0.30 0.22 -0.05 0.00 0.14 0.00 0.00 62.40 63.02 3a0h h SER 480 CO -0.44 -0.49 -0.05 0.61 -1.14 0.00 0.00 176.83 175.32 3a0h n GLY 481 N -0.81 1.99 0.08 -3.77 0.00 -0.63 -5.07 105.19 96.98 3a0h n GLY 481 Ca -0.13 -1.51 0.12 0.00 0.00 0.00 0.00 46.02 44.50 3a0h n GLY 481 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3a0h h ILE 482 N 1.89 0.00 -0.55 -0.61 -0.00 -1.95 -3.41 117.51 112.88 3a0h h ILE 482 Ca -0.25 -0.57 0.00 0.00 -0.00 0.00 0.00 64.86 64.04 3a0h h ILE 482 Cb 1.06 1.20 0.00 0.00 -0.00 0.00 0.00 36.82 39.08 3a0h h ILE 482 CO 0.34 0.00 0.00 -0.67 -0.00 0.00 0.00 178.15 177.82 3a0h n ASP 483 N -2.24 -0.37 -0.13 2.16 -0.08 -1.26 -4.88 116.55 109.75 3a0h n ASP 483 Ca 0.03 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.43 3a0h n ASP 483 Cb 0.46 -0.18 0.19 0.00 2.34 0.00 0.00 41.12 43.92 3a0h n ASP 483 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 3a0h n PRO 484 N 0.23 0.00 -2.43 -0.67 -0.02 -1.26 -4.46 135.00 126.39 3a0h n PRO 484 Ca 0.00 0.33 -0.39 0.00 -2.02 0.00 0.00 63.50 61.41 3a0h n PRO 484 Cb 0.00 -0.78 -0.04 0.00 -0.02 0.00 0.00 33.50 32.66 3a0h n PRO 484 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3a0h s GLU 485 N -3.13 4.47 0.35 -0.52 4.04 -1.26 -5.05 118.70 117.60 3a0h s GLU 485 Ca -0.01 1.80 0.01 0.00 0.04 0.00 0.00 54.97 56.81 3a0h s GLU 485 Cb 0.06 -3.02 -0.01 0.00 0.02 0.00 0.00 34.13 31.19 3a0h s GLU 485 CO 0.20 0.06 0.42 -0.48 -1.84 0.00 0.00 175.26 173.63 3a0h s LEU 486 N -1.78 1.26 0.00 1.83 2.34 -1.26 -5.01 118.68 116.05 3a0h s LEU 486 Ca 0.48 -1.59 0.00 0.00 0.06 0.00 0.00 54.13 53.08 3a0h s LEU 486 Cb -0.31 1.20 0.00 0.00 -0.56 0.00 0.00 46.19 46.52 3a0h s LEU 486 CO 0.40 -1.24 0.00 -1.20 -1.06 0.00 0.00 176.35 173.24 3a0h n SER 487 N -1.52 0.00 -4.61 1.48 7.64 -1.26 -5.05 113.62 110.30 3a0h n SER 487 Ca 0.03 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.49 3a0h n SER 487 Cb 0.62 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.77 3a0h n SER 487 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3a0h s PRO 488 N -0.19 3.90 0.00 1.43 0.04 -1.26 -5.39 135.00 133.53 3a0h s PRO 488 Ca 0.00 0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.59 3a0h s PRO 488 Cb 0.00 -3.76 0.00 0.00 0.04 0.00 0.00 34.50 30.78 3a0h s PRO 488 CO 0.00 -0.78 0.00 -0.85 0.04 0.00 0.00 177.00 175.41