#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjj n ASP 27 N 0.00 1.37 0.00 1.45 8.00 -1.26 -4.99 116.55 121.12 1sjj n ASP 27 Ca 0.00 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1sjj n ASP 27 Cb 0.00 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 1sjj n ASP 27 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 1sjj n PRO 28 N -3.90 -0.71 -2.55 -0.24 -0.02 -1.26 -4.91 135.00 121.41 1sjj n PRO 28 Ca -0.22 0.04 -0.43 0.00 -2.02 0.00 0.00 63.50 60.87 1sjj n PRO 28 Cb 0.55 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1sjj n PRO 28 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sjj n ALA 29 N 0.72 3.80 -2.31 3.55 0.00 -1.26 -4.95 120.51 120.06 1sjj n ALA 29 Ca 0.00 -3.91 -0.40 0.00 0.00 0.00 0.00 53.44 49.13 1sjj n ALA 29 Cb 0.04 -3.52 -0.03 0.00 0.00 0.00 0.00 19.45 15.94 1sjj n ALA 29 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1sjj s TRP 30 N 3.71 1.99 0.32 0.00 0.52 -1.26 -4.89 118.94 119.33 1sjj s TRP 30 Ca 0.52 0.34 0.04 0.00 0.02 0.00 0.00 56.10 57.01 1sjj s TRP 30 Cb 0.04 -4.37 0.65 0.00 -1.15 0.00 0.00 33.47 28.63 1sjj s TRP 30 CO 0.05 -2.18 1.88 0.93 0.02 0.00 0.00 176.95 177.65 1sjj h GLU 31 N 12.33 0.86 0.00 4.98 5.08 -1.98 0.20 114.58 136.06 1sjj h GLU 31 Ca -0.26 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.03 1sjj h GLU 31 Cb 1.10 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 1sjj h GLU 31 CO 1.25 0.57 -0.08 0.87 -1.00 0.00 0.00 179.01 180.62 1sjj h LYS 32 N 0.89 0.00 0.00 2.33 1.57 -2.01 -2.34 116.57 117.02 1sjj h LYS 32 Ca 0.43 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.21 1sjj h LYS 32 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1sjj h LYS 32 CO -0.19 0.08 -0.00 0.37 -0.57 0.00 0.00 179.45 179.14 1sjj h GLN 33 N 0.00 -0.00 -1.07 3.15 -0.00 -1.42 -3.39 115.11 112.38 1sjj h GLN 33 Ca -0.00 0.00 0.29 0.00 -0.00 0.00 0.00 58.65 58.94 1sjj h GLN 33 Cb 0.78 0.00 -0.11 0.00 0.00 0.00 0.00 27.48 28.15 1sjj h GLN 33 CO 0.01 0.74 0.67 1.96 0.00 0.00 0.00 178.83 182.21 1sjj h GLN 34 N -0.99 0.36 -0.55 1.69 4.20 -0.64 0.22 115.11 119.40 1sjj h GLN 34 Ca -0.00 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.73 1sjj h GLN 34 Cb 0.74 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.40 1sjj h GLN 34 CO 0.00 0.24 0.29 -0.09 -0.67 0.00 0.00 178.83 178.60 1sjj h ARG 35 N 0.37 0.55 -0.14 1.46 2.43 -1.60 -0.09 114.38 117.35 1sjj h ARG 35 Ca 0.65 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.80 1sjj h ARG 35 Cb 1.64 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 31.05 1sjj h ARG 35 CO -0.38 0.37 0.05 0.87 -1.51 0.00 0.00 179.97 179.36 1sjj h LYS 36 N 0.57 0.11 -0.80 0.20 1.57 -1.17 -1.71 116.57 115.34 1sjj h LYS 36 Ca 0.24 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.04 1sjj h LYS 36 Cb 0.12 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.36 1sjj h LYS 36 CO -0.15 0.07 0.52 1.15 -0.57 0.00 0.00 179.45 180.47 1sjj h THR 37 N 0.11 1.15 0.00 -0.16 2.02 -1.23 0.23 112.91 115.03 1sjj h THR 37 Ca 0.06 -0.35 -0.19 0.00 0.77 0.00 0.00 66.41 66.70 1sjj h THR 37 Cb 0.04 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.45 1sjj h THR 37 CO -0.07 0.19 -0.91 -0.26 0.37 0.00 0.00 175.52 174.84 1sjj h PHE 38 N 1.02 0.00 -0.29 3.16 0.04 -0.99 -2.41 116.94 117.47 1sjj h PHE 38 Ca 0.31 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.90 1sjj h PHE 38 Cb -0.03 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.12 1sjj h PHE 38 CO -0.02 0.91 -0.53 1.15 -0.60 0.00 0.00 178.31 179.22 1sjj h THR 39 N 0.00 1.28 0.00 -1.55 2.02 -1.16 -2.18 112.91 111.32 1sjj h THR 39 Ca -0.01 -1.71 0.00 0.00 0.77 0.00 0.00 66.41 65.46 1sjj h THR 39 Cb 1.69 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.70 1sjj h THR 39 CO 0.12 0.56 0.00 0.00 0.37 0.00 0.00 175.52 176.57 1sjj n ALA 40 N -2.56 1.98 -0.13 6.16 0.00 0.81 -2.76 120.51 124.00 1sjj n ALA 40 Ca -0.04 -0.08 -0.24 0.00 0.00 0.00 0.00 53.44 53.07 1sjj n ALA 40 Cb 0.62 -1.24 -0.10 0.00 0.00 0.00 0.00 19.45 18.72 1sjj n ALA 40 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1sjj n TRP 41 N -1.10 0.00 -0.10 0.00 -0.00 -0.91 -3.64 117.44 111.70 1sjj n TRP 41 Ca 0.10 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.51 1sjj n TRP 41 Cb 0.07 -0.95 -0.01 0.00 -0.00 0.00 0.00 31.31 30.43 1sjj n TRP 41 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1sjj h ASN 43 N 0.43 0.00 -0.21 0.00 2.35 -1.76 -0.26 115.58 116.13 1sjj h ASN 43 Ca 0.12 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 55.72 1sjj h ASN 43 Cb -0.04 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1sjj h ASN 43 CO -0.04 0.00 -0.41 -1.28 -1.65 0.00 0.00 177.43 174.05 1sjj h SER 44 N 0.00 0.81 -0.08 5.81 0.87 -1.55 -3.32 113.55 116.08 1sjj h SER 44 Ca 0.00 -0.37 -0.24 0.00 -1.23 0.00 0.00 61.79 59.95 1sjj h SER 44 Cb 0.59 -0.23 0.02 0.00 -0.44 0.00 0.00 62.40 62.33 1sjj h SER 44 CO 0.00 1.12 -0.87 -0.74 -0.53 0.00 0.00 176.83 175.81 1sjj h HIS 45 N 0.62 1.03 -0.28 2.24 -0.00 -0.30 -3.38 115.15 115.08 1sjj h HIS 45 Ca 0.05 -0.50 0.07 0.00 -0.00 0.00 0.00 60.37 59.98 1sjj h HIS 45 Cb 0.97 -0.14 -0.08 0.00 -0.00 0.00 0.00 27.41 28.16 1sjj h HIS 45 CO 0.05 1.34 -0.28 -0.07 -0.00 0.00 0.00 177.93 178.96 1sjj h LEU 46 N 0.43 -0.92 0.00 0.26 4.07 -1.18 -1.18 115.31 116.79 1sjj h LEU 46 Ca -0.09 0.16 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1sjj h LEU 46 Cb 1.52 0.43 0.00 0.00 1.08 0.00 0.00 40.66 43.68 1sjj h LEU 46 CO 0.18 -0.31 0.00 0.54 -1.08 0.00 0.00 178.44 177.77 1sjj n ARG 47 N -5.40 0.01 -0.01 1.13 1.74 -1.21 -0.76 116.66 112.17 1sjj n ARG 47 Ca -0.00 0.05 0.09 0.00 -0.77 0.00 0.00 57.85 57.22 1sjj n ARG 47 Cb 0.32 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.12 1sjj n ARG 47 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1sjj n LYS 48 N -1.05 0.70 -0.05 5.56 5.02 -0.45 -4.64 118.16 123.26 1sjj n LYS 48 Ca 0.00 -0.11 -0.05 0.00 -2.02 0.00 0.00 58.31 56.13 1sjj n LYS 48 Cb 0.00 -1.42 -0.06 0.00 -0.02 0.00 0.00 35.03 33.54 1sjj n LYS 48 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sjj n ALA 49 N -1.90 1.79 -3.25 7.82 0.00 -0.50 -5.07 120.51 119.39 1sjj n ALA 49 Ca -0.01 -0.49 -0.13 0.00 0.00 0.00 0.00 53.44 52.81 1sjj n ALA 49 Cb 0.42 0.16 -0.10 0.00 0.00 0.00 0.00 19.45 19.93 1sjj n ALA 49 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1sjj s GLY 50 N -4.47 -0.27 0.05 0.00 0.00 0.06 -5.07 107.32 97.62 1sjj s GLY 50 Ca -0.09 1.01 0.25 0.00 0.00 0.00 0.00 44.72 45.89 1sjj s GLY 50 CO 0.29 0.87 1.79 -1.30 0.00 0.00 0.00 173.10 174.75 1sjj n THR 51 N 2.86 0.37 -1.95 0.90 -2.24 -1.26 -3.36 114.28 109.59 1sjj n THR 51 Ca -0.13 0.03 -0.36 0.00 -2.27 0.00 0.00 64.05 61.31 1sjj n THR 51 Cb 0.57 -0.67 0.04 0.00 -2.10 0.00 0.00 70.33 68.18 1sjj n THR 51 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1sjj s GLN 52 N -3.04 2.91 0.01 -0.78 -0.44 -1.26 -4.89 119.66 112.18 1sjj s GLN 52 Ca 0.11 1.90 0.05 0.00 -2.50 0.00 0.00 55.36 54.92 1sjj s GLN 52 Cb 0.15 -1.94 -0.02 0.00 -1.64 0.00 0.00 33.01 29.57 1sjj s GLN 52 CO 0.47 -1.27 -0.15 0.96 0.50 0.00 0.00 175.29 175.81 1sjj s ILE 53 N -1.53 1.17 0.00 -2.34 -0.00 -1.26 -4.46 121.20 112.77 1sjj s ILE 53 Ca 0.78 -0.81 0.00 0.00 -0.00 0.00 0.00 60.65 60.62 1sjj s ILE 53 Cb -0.32 -1.01 0.00 0.00 -0.00 0.00 0.00 42.46 41.13 1sjj s ILE 53 CO 0.35 0.19 0.00 -0.62 -0.00 0.00 0.00 174.94 174.86 1sjj n GLU 54 N 2.34 1.49 -4.00 0.37 1.02 -1.26 -5.19 120.64 115.41 1sjj n GLU 54 Ca -0.16 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 56.89 1sjj n GLU 54 Cb 0.55 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.92 1sjj n GLU 54 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1sjj s ASN 55 N 1.00 -0.05 -0.13 1.62 2.47 -1.26 -4.93 114.94 113.66 1sjj s ASN 55 Ca 0.00 -0.95 -0.04 0.00 0.42 0.00 0.00 52.86 52.29 1sjj s ASN 55 Cb 0.00 0.59 0.06 0.00 -1.45 0.00 0.00 41.25 40.45 1sjj s ASN 55 CO 0.00 -1.15 0.12 -0.63 -3.72 0.00 0.00 177.10 171.72 1sjj s ILE 56 N -3.96 -0.18 0.00 -5.21 1.01 -1.26 -4.79 121.20 106.81 1sjj s ILE 56 Ca 0.23 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.99 1sjj s ILE 56 Cb -0.01 -0.43 0.00 0.00 0.01 0.00 0.00 42.46 42.04 1sjj s ILE 56 CO 0.10 -0.06 0.00 1.21 0.00 0.00 0.00 174.94 176.19 1sjj n GLU 57 N 5.30 0.00 0.03 2.79 4.07 -1.26 -4.89 120.64 126.68 1sjj n GLU 57 Ca -0.05 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.00 1sjj n GLU 57 Cb 0.50 -0.21 -0.10 0.00 -0.06 0.00 0.00 31.44 31.56 1sjj n GLU 57 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1sjj h GLU 58 N 0.00 0.00 -1.25 5.31 4.22 -2.06 -3.46 114.58 117.34 1sjj h GLU 58 Ca 0.00 0.00 -0.46 0.00 0.08 0.00 0.00 59.36 58.98 1sjj h GLU 58 Cb 0.06 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.10 1sjj h GLU 58 CO 0.00 0.54 0.60 -0.25 -2.18 0.00 0.00 179.01 177.72 1sjj n ASP 59 N -3.09 6.46 0.00 1.04 8.00 -1.26 -2.76 116.55 124.94 1sjj n ASP 59 Ca -0.09 -3.34 0.00 0.00 0.71 0.00 0.00 54.79 52.07 1sjj n ASP 59 Cb 0.93 -0.98 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 1sjj n ASP 59 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1sjj n PHE 60 N -0.28 0.00 -0.31 1.24 3.72 -1.26 -4.69 117.46 115.88 1sjj n PHE 60 Ca 0.44 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.93 1sjj n PHE 60 Cb 0.73 0.00 0.30 0.00 -0.94 0.00 0.00 39.48 39.57 1sjj n PHE 60 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1sjj h ARG 61 N 0.00 0.85 -0.52 -1.08 3.08 -1.76 -1.33 114.38 113.63 1sjj h ARG 61 Ca 0.00 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 1sjj h ARG 61 Cb 0.68 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 1sjj h ARG 61 CO 0.00 0.56 -0.01 0.38 -1.07 0.00 0.00 179.97 179.83 1sjj h ASP 62 N 0.88 0.90 0.00 7.04 3.04 -1.86 -3.39 116.42 123.03 1sjj h ASP 62 Ca 0.46 -0.31 0.00 0.00 -3.24 0.00 0.00 57.03 53.94 1sjj h ASP 62 Cb 0.54 -0.24 0.00 0.00 -1.04 0.00 0.00 39.33 38.58 1sjj h ASP 62 CO -0.22 0.99 0.00 0.61 -2.04 0.00 0.00 179.24 178.58 1sjj n GLY 63 N -0.38 0.35 0.23 7.15 0.00 -0.50 -4.29 105.19 107.75 1sjj n GLY 63 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 1sjj n GLY 63 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sjj h LEU 64 N 0.00 0.95 -0.94 0.99 4.07 -1.89 -0.96 115.31 117.54 1sjj h LEU 64 Ca 0.00 -0.57 -0.10 0.00 0.08 0.00 0.00 57.88 57.29 1sjj h LEU 64 Cb 0.00 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.45 1sjj h LEU 64 CO 0.00 1.37 -0.34 0.11 -1.08 0.00 0.00 178.44 178.50 1sjj h LYS 65 N 0.60 0.36 -0.38 1.13 1.79 -1.91 -0.13 116.57 118.02 1sjj h LYS 65 Ca -0.02 -0.15 -0.07 0.00 -2.18 0.00 0.00 60.65 58.23 1sjj h LYS 65 Cb 1.29 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.92 1sjj h LYS 65 CO 0.14 0.66 -0.03 -0.07 -1.08 0.00 0.00 179.45 179.07 1sjj h LEU 66 N 0.31 0.68 -0.86 2.94 3.38 -1.83 -1.02 115.31 118.90 1sjj h LEU 66 Ca 0.04 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.70 1sjj h LEU 66 Cb 0.75 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 1sjj h LEU 66 CO 0.06 0.85 0.57 0.24 0.09 0.00 0.00 178.44 180.24 1sjj h MET 67 N 0.50 1.09 -0.20 1.13 2.86 -0.70 -2.04 114.93 117.57 1sjj h MET 67 Ca 0.10 -0.07 -0.19 0.00 -2.06 0.00 0.00 59.70 57.49 1sjj h MET 67 Cb 0.52 -0.25 0.01 0.00 0.06 0.00 0.00 31.60 31.94 1sjj h MET 67 CO 0.03 0.72 -0.61 -0.07 1.06 0.00 0.00 176.91 178.04 1sjj h LEU 68 N 1.12 0.88 -1.69 1.22 4.07 -0.87 -2.61 115.31 117.43 1sjj h LEU 68 Ca 0.33 -0.59 -0.03 0.00 0.08 0.00 0.00 57.88 57.67 1sjj h LEU 68 Cb -0.06 -0.26 -0.00 0.00 1.08 0.00 0.00 40.66 41.42 1sjj h LEU 68 CO -0.09 1.31 -0.16 0.25 -1.08 0.00 0.00 178.44 178.67 1sjj h LEU 69 N 0.49 0.00 -1.33 1.67 5.85 -1.22 -1.09 115.31 119.67 1sjj h LEU 69 Ca -0.02 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 1sjj h LEU 69 Cb 1.23 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1sjj h LEU 69 CO 0.13 0.16 -0.33 -0.07 -0.34 0.00 0.00 178.44 177.99 1sjj h LEU 70 N 0.00 0.00 -0.33 2.25 3.38 -1.24 -2.92 115.31 116.45 1sjj h LEU 70 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 1sjj h LEU 70 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1sjj h LEU 70 CO 0.02 0.33 -0.61 -0.33 0.09 0.00 0.00 178.44 177.94 1sjj h GLU 71 N 0.00 0.75 0.00 1.13 5.08 -0.82 -3.22 114.58 117.50 1sjj h GLU 71 Ca -0.00 -0.51 -0.11 0.00 -1.00 0.00 0.00 59.36 57.73 1sjj h GLU 71 Cb 0.60 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1sjj h GLU 71 CO 0.04 1.13 -0.53 -0.39 -1.00 0.00 0.00 179.01 178.27 1sjj h VAL 72 N 0.56 1.08 -0.95 3.13 -1.51 -1.48 -1.07 116.25 116.00 1sjj h VAL 72 Ca -0.00 -2.03 -0.47 0.00 -1.23 0.00 0.00 66.70 62.97 1sjj h VAL 72 Cb 1.21 2.20 -0.17 0.00 -2.13 0.00 0.00 31.29 32.39 1sjj h VAL 72 CO 0.13 0.52 0.42 2.30 -1.23 0.00 0.00 177.57 179.70 1sjj n ILE 73 N -3.48 3.22 0.00 7.19 -5.35 -1.11 -4.66 119.36 115.16 1sjj n ILE 73 Ca 0.00 -2.73 0.00 0.00 -0.27 0.00 0.00 62.75 59.76 1sjj n ILE 73 Cb 0.63 -1.52 0.00 0.00 -1.74 0.00 0.00 39.64 37.01 1sjj n ILE 73 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1sjj n SER 74 N 0.70 0.00 0.00 7.28 3.41 -0.43 -4.62 113.62 119.96 1sjj n SER 74 Ca 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 1sjj n SER 74 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1sjj n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sjj n GLY 75 N 0.00 0.00 0.99 5.00 0.00 -1.05 -4.72 105.19 105.42 1sjj n GLY 75 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1sjj n GLY 75 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sjj n GLU 76 N -2.59 0.00 -2.04 1.61 -0.58 -1.26 -4.69 120.64 111.09 1sjj n GLU 76 Ca 0.00 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.39 1sjj n GLU 76 Cb 0.12 -0.38 -0.04 0.00 -0.57 0.00 0.00 31.44 30.57 1sjj n GLU 76 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1sjj s ARG 77 N -0.09 2.60 -1.29 3.49 3.52 -1.26 -4.60 118.95 121.32 1sjj s ARG 77 Ca 0.24 0.35 -0.10 0.00 -0.13 0.00 0.00 55.73 56.09 1sjj s ARG 77 Cb -0.33 -4.59 0.16 0.00 -1.56 0.00 0.00 34.95 28.63 1sjj s ARG 77 CO 0.16 -2.93 1.87 1.28 -0.81 0.00 0.00 175.30 174.87 1sjj n LEU 78 N 13.16 6.59 -4.61 -0.88 4.77 -1.26 -4.91 117.00 129.86 1sjj n LEU 78 Ca 0.26 -4.61 -0.42 0.00 -0.03 0.00 0.00 56.01 51.22 1sjj n LEU 78 Cb 0.51 -1.49 -0.05 0.00 -2.33 0.00 0.00 43.42 40.05 1sjj n LEU 78 CO 0.68 1.33 0.54 0.00 -1.33 0.00 0.00 177.39 178.61 1sjj s ALA 79 N 0.59 3.51 -0.05 -1.18 0.00 -1.26 -4.89 121.76 118.48 1sjj s ALA 79 Ca 0.40 -0.51 -0.04 0.00 0.00 0.00 0.00 51.96 51.81 1sjj s ALA 79 Cb 0.09 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1sjj s ALA 79 CO -0.00 -1.22 0.14 0.21 0.00 0.00 0.00 175.76 174.89 1sjj s LYS 80 N 2.90 3.34 -1.14 0.00 2.47 -1.26 -5.02 119.74 121.03 1sjj s LYS 80 Ca 0.30 -0.28 -0.12 0.00 -1.56 0.00 0.00 55.97 54.31 1sjj s LYS 80 Cb -0.14 -3.07 -0.07 0.00 -1.46 0.00 0.00 37.83 33.09 1sjj s LYS 80 CO 0.13 0.71 2.28 -2.30 0.16 0.00 0.00 175.35 176.33 1sjj n PRO 81 N 1.45 2.44 -3.63 4.03 -0.02 -1.26 -4.70 135.00 133.32 1sjj n PRO 81 Ca -0.15 -1.92 -0.03 0.00 -2.02 0.00 0.00 63.50 59.38 1sjj n PRO 81 Cb 0.54 -2.79 -0.02 0.00 -0.02 0.00 0.00 33.50 31.20 1sjj n PRO 81 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1sjj s GLU 82 N 3.48 0.14 2.59 -0.52 0.41 -1.26 -5.02 118.70 118.53 1sjj s GLU 82 Ca 0.52 -0.05 0.00 0.00 -0.41 0.00 0.00 54.97 55.03 1sjj s GLU 82 Cb 0.14 0.06 0.00 0.00 -1.78 0.00 0.00 34.13 32.55 1sjj s GLU 82 CO -0.01 -0.06 0.00 0.54 -0.49 0.00 0.00 175.26 175.24 1sjj n ARG 83 N -0.00 0.00 0.00 1.61 1.74 -1.26 -5.02 116.66 113.72 1sjj n ARG 83 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1sjj n ARG 83 Cb 0.57 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.01 1sjj n ARG 83 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sjj n GLY 84 N 0.00 -1.10 0.00 -0.13 0.00 -1.26 -4.56 105.19 98.13 1sjj n GLY 84 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1sjj n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1sjj n LYS 85 N -0.51 0.00 -1.03 1.61 4.81 -1.26 -4.99 118.16 116.79 1sjj n LYS 85 Ca 0.00 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.14 1sjj n LYS 85 Cb 0.00 0.00 0.14 0.00 0.02 0.00 0.00 35.03 35.19 1sjj n LYS 85 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1sjj s MET 86 N -0.76 1.26 0.10 1.64 -1.94 -1.26 -4.82 119.30 113.52 1sjj s MET 86 Ca 0.00 1.09 -0.33 0.00 -1.71 0.00 0.00 55.69 54.75 1sjj s MET 86 Cb 0.00 -1.79 -0.13 0.00 2.01 0.00 0.00 34.83 34.92 1sjj s MET 86 CO 0.00 -2.32 1.58 -0.09 -0.01 0.00 0.00 175.02 174.19 1sjj h ARG 87 N -1.62 -0.75 -0.91 2.03 2.43 -2.01 -2.37 114.38 111.19 1sjj h ARG 87 Ca -0.48 0.05 0.25 0.00 -0.81 0.00 0.00 59.98 58.99 1sjj h ARG 87 Cb 1.27 0.17 -0.16 0.00 -0.42 0.00 0.00 29.97 30.83 1sjj h ARG 87 CO 0.50 -0.50 0.09 0.28 -1.51 0.00 0.00 179.97 178.84 1sjj h VAL 88 N -0.77 0.16 0.00 0.20 2.07 -1.98 0.22 116.25 116.14 1sjj h VAL 88 Ca -0.01 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1sjj h VAL 88 Cb 0.74 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1sjj h VAL 88 CO -0.16 0.01 -0.67 0.45 0.02 0.00 0.00 177.57 177.22 1sjj h HIS 89 N 0.08 0.00 0.03 1.57 3.86 -1.84 -2.97 115.15 115.88 1sjj h HIS 89 Ca 0.56 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 59.46 1sjj h HIS 89 Cb 1.13 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.57 1sjj h HIS 89 CO -0.41 0.00 -1.69 1.17 0.86 0.00 0.00 177.93 177.86 1sjj n LYS 90 N -2.70 0.62 0.12 2.45 3.00 -0.84 -4.24 118.16 116.57 1sjj n LYS 90 Ca 0.02 0.43 0.16 0.00 -0.00 0.00 0.00 58.31 58.91 1sjj n LYS 90 Cb 0.53 -1.69 0.69 0.00 0.00 0.00 0.00 35.03 34.56 1sjj n LYS 90 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.40 176.56 1sjj h ILE 91 N -0.67 0.79 -1.28 3.15 -0.00 -0.71 -0.39 117.51 118.40 1sjj h ILE 91 Ca -0.43 0.00 0.41 0.00 -0.00 0.00 0.00 64.86 64.84 1sjj h ILE 91 Cb 1.57 0.84 -0.12 0.00 -0.00 0.00 0.00 36.82 39.11 1sjj h ILE 91 CO -0.16 0.00 0.83 0.28 -0.00 0.00 0.00 178.15 179.10 1sjj h SER 92 N 0.00 0.27 0.04 2.16 0.02 -1.69 0.45 113.55 114.79 1sjj h SER 92 Ca 0.14 0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 61.16 1sjj h SER 92 Cb 0.60 0.10 0.01 0.00 0.14 0.00 0.00 62.40 63.25 1sjj h SER 92 CO -0.00 -0.13 -0.25 0.78 -1.14 0.00 0.00 176.83 176.08 1sjj h ASN 93 N 0.13 0.13 -0.77 3.07 2.35 -1.29 -2.15 115.58 117.05 1sjj h ASN 93 Ca 0.78 -0.98 -0.03 0.00 -0.55 0.00 0.00 56.30 55.52 1sjj h ASN 93 Cb 2.40 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 40.70 1sjj h ASN 93 CO -0.38 1.12 0.37 0.58 -1.65 0.00 0.00 177.43 177.47 1sjj h VAL 94 N -0.83 1.25 0.42 2.81 2.07 -1.48 0.26 116.25 120.75 1sjj h VAL 94 Ca -0.05 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1sjj h VAL 94 Cb 1.19 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1sjj h VAL 94 CO 0.04 0.30 -0.20 0.78 0.02 0.00 0.00 177.57 178.50 1sjj h ASN 95 N 1.11 -0.48 -0.79 0.57 4.21 -0.27 -2.09 115.58 117.85 1sjj h ASN 95 Ca 0.27 -0.06 -0.03 0.00 1.21 0.00 0.00 56.30 57.70 1sjj h ASN 95 Cb 0.12 0.12 -0.04 0.00 -1.12 0.00 0.00 38.32 37.41 1sjj h ASN 95 CO -0.03 -0.23 0.40 0.50 -1.29 0.00 0.00 177.43 176.77 1sjj h LYS 96 N -0.71 1.14 -0.96 0.81 3.64 -1.27 -2.43 116.57 116.80 1sjj h LYS 96 Ca -0.06 -0.15 0.19 0.00 -1.27 0.00 0.00 60.65 59.36 1sjj h LYS 96 Cb 0.51 -0.21 -0.08 0.00 -0.41 0.00 0.00 32.23 32.03 1sjj h LYS 96 CO 0.09 0.87 0.61 0.00 -2.27 0.00 0.00 179.45 178.75 1sjj h ALA 97 N 1.30 1.92 -0.84 5.00 0.00 -0.47 -2.08 119.26 124.08 1sjj h ALA 97 Ca 0.28 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.34 1sjj h ALA 97 Cb 0.09 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 1sjj h ALA 97 CO -0.04 -0.23 0.47 -0.07 0.00 0.00 0.00 179.25 179.38 1sjj h LEU 98 N 0.62 0.64 -0.11 0.00 3.38 -0.85 -2.17 115.31 116.82 1sjj h LEU 98 Ca 0.52 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.55 1sjj h LEU 98 Cb 0.99 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1sjj h LEU 98 CO -0.27 0.34 0.06 0.44 0.09 0.00 0.00 178.44 179.10 1sjj h ASP 99 N 0.75 0.14 -0.20 -0.43 3.32 -1.50 0.38 116.42 118.87 1sjj h ASP 99 Ca 0.43 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.39 1sjj h ASP 99 Cb 0.47 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1sjj h ASP 99 CO -0.29 0.20 0.13 -0.26 -1.72 0.00 0.00 179.24 177.30 1sjj h PHE 100 N 0.08 0.24 0.08 4.55 0.04 -1.59 0.52 116.94 120.86 1sjj h PHE 100 Ca 0.04 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 1sjj h PHE 100 Cb 0.09 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.16 1sjj h PHE 100 CO -0.04 0.15 -0.04 0.82 -0.60 0.00 0.00 178.31 178.60 1sjj h ILE 101 N 0.26 1.16 -0.07 -0.55 2.04 -0.98 -3.14 117.51 116.22 1sjj h ILE 101 Ca 0.08 -1.01 0.02 0.00 1.00 0.00 0.00 64.86 64.94 1sjj h ILE 101 Cb -0.01 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1sjj h ILE 101 CO -0.02 0.24 -0.02 0.00 0.00 0.00 0.00 178.15 178.36 1sjj h ALA 102 N 0.26 0.05 -0.15 1.87 0.00 0.90 -3.03 119.26 119.14 1sjj h ALA 102 Ca -0.01 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1sjj h ALA 102 Cb 0.49 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1sjj h ALA 102 CO 0.02 -0.49 -0.39 0.77 0.00 0.00 0.00 179.25 179.15 1sjj h SER 103 N -0.01 -1.26 0.00 0.00 0.02 -0.18 -3.11 113.55 109.02 1sjj h SER 103 Ca 0.04 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1sjj h SER 103 Cb 0.06 0.50 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1sjj h SER 103 CO -0.08 -0.33 0.00 0.29 -1.14 0.00 0.00 176.83 175.57 1sjj n LYS 104 N -4.60 0.05 -2.25 3.45 5.02 -1.15 -4.34 118.16 114.35 1sjj n LYS 104 Ca -0.04 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.22 1sjj n LYS 104 Cb 0.26 -1.27 0.01 0.00 -0.02 0.00 0.00 35.03 34.01 1sjj n LYS 104 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sjj n GLY 105 N 0.75 -0.41 3.21 0.72 0.00 -1.17 -4.66 105.19 103.62 1sjj n GLY 105 Ca 0.00 0.11 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 1sjj n GLY 105 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sjj s VAL 106 N -3.08 1.24 -0.84 1.61 1.01 -1.24 -5.04 120.40 114.05 1sjj s VAL 106 Ca 0.10 -1.46 -0.24 0.00 0.00 0.00 0.00 61.98 60.37 1sjj s VAL 106 Cb -0.01 -1.27 0.05 0.00 0.00 0.00 0.00 36.38 35.15 1sjj s VAL 106 CO 0.34 -0.27 1.28 -0.75 0.00 0.00 0.00 175.10 175.70 1sjj s LYS 107 N -2.06 3.36 0.00 2.72 2.20 -1.26 -4.84 119.74 119.85 1sjj s LYS 107 Ca 0.02 -0.77 0.00 0.00 -0.36 0.00 0.00 55.97 54.87 1sjj s LYS 107 Cb -0.08 -4.67 0.00 0.00 -1.51 0.00 0.00 37.83 31.57 1sjj s LYS 107 CO 0.03 -2.09 0.00 1.28 -0.36 0.00 0.00 175.35 174.20 1sjj n LEU 108 N 8.73 2.12 0.00 5.43 4.77 -1.26 -4.91 117.00 131.88 1sjj n LEU 108 Ca 0.14 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 1sjj n LEU 108 Cb 0.49 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1sjj n LEU 108 CO 0.66 -0.07 0.00 0.52 -1.33 0.00 0.00 177.39 177.17 1sjj n VAL 109 N -0.87 0.00 0.00 4.08 0.31 -1.26 -1.67 118.33 118.92 1sjj n VAL 109 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1sjj n VAL 109 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1sjj n VAL 109 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1sjj n SER 110 N 0.00 0.00 -4.36 4.52 7.64 -1.26 -5.08 113.62 115.08 1sjj n SER 110 Ca 0.00 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.49 1sjj n SER 110 Cb 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.08 1sjj n SER 110 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1sjj s ILE 111 N 0.00 4.34 0.00 0.44 1.01 -0.67 -5.04 121.20 121.28 1sjj s ILE 111 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.83 1sjj s ILE 111 Cb 0.00 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 39.10 1sjj s ILE 111 CO 0.00 -0.14 0.00 0.61 0.00 0.00 0.00 174.94 175.41 1sjj n GLY 112 N 4.94 3.34 0.12 6.18 0.00 -1.26 -4.89 105.19 113.62 1sjj n GLY 112 Ca -0.13 -1.80 -0.23 0.00 0.00 0.00 0.00 46.02 43.86 1sjj n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sjj n ALA 113 N -3.00 0.96 -0.06 4.61 0.00 -1.26 -3.80 120.51 117.96 1sjj n ALA 113 Ca 0.00 -0.70 -0.07 0.00 0.00 0.00 0.00 53.44 52.67 1sjj n ALA 113 Cb 0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 19.45 19.03 1sjj n ALA 113 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1sjj h GLU 114 N -0.64 -0.08 -0.12 0.00 9.09 -1.98 0.17 114.58 121.01 1sjj h GLU 114 Ca -0.47 0.01 0.03 0.00 0.05 0.00 0.00 59.36 58.98 1sjj h GLU 114 Cb 1.61 0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 28.72 1sjj h GLU 114 CO -0.17 -0.05 0.10 0.93 0.05 0.00 0.00 179.01 179.86 1sjj h GLU 115 N -0.08 0.00 0.00 1.06 4.39 -1.97 -2.46 114.58 115.52 1sjj h GLU 115 Ca 0.13 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 1sjj h GLU 115 Cb 0.28 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1sjj h GLU 115 CO -0.31 0.00 -0.26 0.82 -1.16 0.00 0.00 179.01 178.11 1sjj h ILE 116 N 0.00 0.46 0.35 3.13 1.08 -1.56 0.68 117.51 121.64 1sjj h ILE 116 Ca 0.06 -1.40 -0.02 0.00 -0.39 0.00 0.00 64.86 63.11 1sjj h ILE 116 Cb 0.25 0.92 0.00 0.00 -3.07 0.00 0.00 36.82 34.92 1sjj h ILE 116 CO -0.00 0.15 -0.17 0.58 -0.69 0.00 0.00 178.15 178.03 1sjj h VAL 117 N -1.00 0.02 0.00 1.67 2.07 -0.50 -3.33 116.25 115.18 1sjj h VAL 117 Ca -0.04 -0.66 -0.10 0.00 0.82 0.00 0.00 66.70 66.72 1sjj h VAL 117 Cb 0.46 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1sjj h VAL 117 CO -0.02 0.00 -0.48 0.44 0.02 0.00 0.00 177.57 177.53 1sjj h ASP 118 N -1.12 0.00 0.00 0.57 3.32 -1.71 -3.44 116.42 114.04 1sjj h ASP 118 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1sjj h ASP 118 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1sjj h ASP 118 CO 0.08 0.48 0.00 0.61 -1.72 0.00 0.00 179.24 178.69 1sjj n GLY 119 N 1.13 0.54 3.61 2.75 0.00 -0.96 -5.04 105.19 107.23 1sjj n GLY 119 Ca 0.02 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 1sjj n GLY 119 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sjj s ASN 120 N 0.00 6.67 0.32 1.61 3.84 0.23 -4.94 114.94 122.67 1sjj s ASN 120 Ca 0.00 0.66 0.25 0.00 0.21 0.00 0.00 52.86 53.98 1sjj s ASN 120 Cb 0.00 -2.41 1.13 0.00 -0.55 0.00 0.00 41.25 39.42 1sjj s ASN 120 CO 0.00 -0.63 1.75 1.62 -2.79 0.00 0.00 177.10 177.05 1sjj h VAL 121 N 5.61 0.00 0.02 -5.21 3.04 -1.94 -0.60 116.25 117.18 1sjj h VAL 121 Ca -0.24 -0.18 -0.25 0.00 -1.01 0.00 0.00 66.70 65.01 1sjj h VAL 121 Cb 1.09 0.88 -0.03 0.00 -2.01 0.00 0.00 31.29 31.23 1sjj h VAL 121 CO 0.89 0.00 -1.32 0.11 -1.01 0.00 0.00 177.57 176.24 1sjj h LYS 122 N 0.00 0.05 0.06 4.17 1.57 -1.92 -3.33 116.57 117.17 1sjj h LYS 122 Ca 0.00 -0.09 -0.29 0.00 -1.87 0.00 0.00 60.65 58.41 1sjj h LYS 122 Cb 0.26 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 1sjj h LYS 122 CO 0.00 0.86 -1.51 0.52 -0.57 0.00 0.00 179.45 178.75 1sjj h MET 123 N 0.01 0.13 0.05 3.15 2.86 -1.43 -0.73 114.93 118.98 1sjj h MET 123 Ca -0.14 -0.22 0.01 0.00 -2.06 0.00 0.00 59.70 57.29 1sjj h MET 123 Cb 1.90 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 33.60 1sjj h MET 123 CO 0.12 0.92 -0.43 1.79 1.06 0.00 0.00 176.91 180.37 1sjj h THR 124 N 0.04 0.00 -0.71 2.22 1.35 -1.40 -0.61 112.91 113.80 1sjj h THR 124 Ca -0.22 0.00 0.16 0.00 -0.55 0.00 0.00 66.41 65.79 1sjj h THR 124 Cb 1.97 0.00 -0.12 0.00 -1.73 0.00 0.00 68.15 68.27 1sjj h THR 124 CO 0.13 0.00 0.04 -0.07 -0.25 0.00 0.00 175.52 175.37 1sjj h LEU 125 N -0.57 -0.25 -0.21 3.87 3.38 -1.67 -0.79 115.31 119.07 1sjj h LEU 125 Ca 0.00 0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.18 1sjj h LEU 125 Cb 0.59 0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.60 1sjj h LEU 125 CO -0.26 -0.13 -0.02 1.23 0.09 0.00 0.00 178.44 179.34 1sjj h GLY 126 N 0.14 0.18 1.10 0.83 0.00 -0.87 0.26 103.07 104.72 1sjj h GLY 126 Ca 0.39 0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.78 1sjj h GLY 126 CO -0.59 -0.06 0.59 1.98 0.00 0.00 0.00 176.54 178.45 1sjj h MET 127 N 0.04 1.15 0.00 4.80 1.85 -0.69 -1.34 114.93 120.73 1sjj h MET 127 Ca 0.10 -0.07 -0.08 0.00 -0.61 0.00 0.00 59.70 59.04 1sjj h MET 127 Cb 0.14 -0.26 -0.01 0.00 0.43 0.00 0.00 31.60 31.90 1sjj h MET 127 CO -0.19 0.76 -0.44 0.82 -0.40 0.00 0.00 176.91 177.46 1sjj h ILE 128 N 1.18 0.65 -0.10 1.77 1.08 -0.78 -2.63 117.51 118.68 1sjj h ILE 128 Ca 0.33 -1.93 -0.14 0.00 -0.39 0.00 0.00 64.86 62.73 1sjj h ILE 128 Cb -0.11 2.30 -0.01 0.00 -3.07 0.00 0.00 36.82 35.94 1sjj h ILE 128 CO -0.08 0.37 -0.56 -0.25 -0.69 0.00 0.00 178.15 176.95 1sjj h TRP 129 N 0.00 0.39 0.00 1.37 2.91 -0.77 0.71 115.95 120.55 1sjj h TRP 129 Ca -0.01 -0.14 0.00 0.00 1.13 0.00 0.00 58.89 59.87 1sjj h TRP 129 Cb 1.31 -0.07 0.00 0.00 -0.51 0.00 0.00 29.16 29.88 1sjj h TRP 129 CO 0.00 0.79 0.00 1.79 -1.03 0.00 0.00 178.44 179.99 1sjj h THR 130 N 0.24 0.00 0.08 2.65 1.35 -1.05 -0.84 112.91 115.33 1sjj h THR 130 Ca 0.00 -0.29 -0.34 0.00 -0.55 0.00 0.00 66.41 65.23 1sjj h THR 130 Cb 1.05 1.13 -0.03 0.00 -1.73 0.00 0.00 68.15 68.57 1sjj h THR 130 CO 0.09 0.00 -1.94 -0.38 -0.25 0.00 0.00 175.52 173.04 1sjj n ILE 131 N -2.68 1.71 -0.12 6.82 5.41 -1.01 -3.60 119.36 125.89 1sjj n ILE 131 Ca 0.00 -0.70 -0.07 0.00 1.00 0.00 0.00 62.75 62.98 1sjj n ILE 131 Cb 0.22 -1.46 0.01 0.00 -0.71 0.00 0.00 39.64 37.69 1sjj n ILE 131 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1sjj h ILE 132 N 0.04 1.06 0.00 1.39 2.04 -0.51 -2.82 117.51 118.72 1sjj h ILE 132 Ca -0.39 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.30 1sjj h ILE 132 Cb 2.03 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 1sjj h ILE 132 CO 0.08 0.09 0.00 0.25 0.00 0.00 0.00 178.15 178.57 1sjj h LEU 133 N 0.49 0.00 -9.27 1.44 5.85 -1.36 -3.45 115.31 109.01 1sjj h LEU 133 Ca 0.15 0.00 -0.56 0.00 0.84 0.00 0.00 57.88 58.32 1sjj h LEU 133 Cb -0.01 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1sjj h LEU 133 CO -0.06 0.00 0.59 -0.60 -0.34 0.00 0.00 178.44 178.03 1sjj s ARG 134 N -3.28 4.41 0.00 1.25 3.52 -1.07 -5.00 118.95 118.79 1sjj s ARG 134 Ca 0.06 1.44 0.00 0.00 -0.13 0.00 0.00 55.73 57.11 1sjj s ARG 134 Cb 0.10 -3.54 0.00 0.00 -1.56 0.00 0.00 34.95 29.95 1sjj s ARG 134 CO 0.50 -0.34 0.00 1.19 -0.81 0.00 0.00 175.30 175.84 1sjj n PHE 135 N 5.02 0.00 0.00 5.12 3.72 -1.26 -5.00 117.46 125.07 1sjj n PHE 135 Ca 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 1sjj n PHE 135 Cb 0.48 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 1sjj n PHE 135 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1sjj n ALA 136 N -2.97 0.00 -1.92 4.37 0.00 -1.26 -4.38 120.51 114.35 1sjj n ALA 136 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1sjj n ALA 136 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1sjj n ALA 136 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sjj s ILE 137 N -1.98 3.44 0.28 0.00 1.01 -1.24 -4.70 121.20 118.00 1sjj s ILE 137 Ca 0.00 0.52 -0.12 0.00 0.00 0.00 0.00 60.65 61.05 1sjj s ILE 137 Cb 0.00 -3.37 0.00 0.00 0.01 0.00 0.00 42.46 39.10 1sjj s ILE 137 CO 0.00 -0.08 0.53 -1.10 0.00 0.00 0.00 174.94 174.28 1sjj s GLN 138 N 4.40 1.68 0.00 2.79 -1.52 -1.06 -5.09 119.66 120.85 1sjj s GLN 138 Ca 0.78 -1.32 0.00 0.00 -1.95 0.00 0.00 55.36 52.87 1sjj s GLN 138 Cb -0.34 0.49 0.00 0.00 -0.22 0.00 0.00 33.01 32.94 1sjj s GLN 138 CO 0.32 -0.72 0.00 -0.25 -0.25 0.00 0.00 175.29 174.40 1sjj n ASP 139 N -0.63 0.00 -4.79 5.90 8.00 -1.26 -3.73 116.55 120.03 1sjj n ASP 139 Ca -0.02 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.15 1sjj n ASP 139 Cb 0.61 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.74 1sjj n ASP 139 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1sjj s ILE 140 N 0.00 3.59 0.00 0.53 1.01 -1.26 -2.33 121.20 122.74 1sjj s ILE 140 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 60.65 61.41 1sjj s ILE 140 Cb 0.00 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.19 1sjj s ILE 140 CO 0.00 -0.44 0.00 -0.24 0.00 0.00 0.00 174.94 174.26 1sjj n SER 141 N -2.12 0.00 -0.25 3.58 2.88 -1.26 -4.92 113.62 111.54 1sjj n SER 141 Ca 0.09 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 1sjj n SER 141 Cb 0.52 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 1sjj n SER 141 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1sjj n VAL 142 N -1.18 0.00 -3.42 2.46 0.31 -1.26 -4.55 118.33 110.69 1sjj n VAL 142 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.98 1sjj n VAL 142 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 1sjj n VAL 142 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1sjj s GLU 143 N 0.00 3.93 0.87 5.55 0.41 -1.26 -5.02 118.70 123.18 1sjj s GLU 143 Ca 0.00 0.42 -0.10 0.00 -0.41 0.00 0.00 54.97 54.87 1sjj s GLU 143 Cb 0.00 -2.98 0.12 0.00 -1.78 0.00 0.00 34.13 29.48 1sjj s GLU 143 CO 0.00 0.52 1.12 -1.21 -0.49 0.00 0.00 175.26 175.20 1sjj s GLU 144 N -1.84 1.43 -0.65 1.61 2.02 -1.26 -5.08 118.70 114.93 1sjj s GLU 144 Ca 0.35 1.32 -0.18 0.00 0.02 0.00 0.00 54.97 56.48 1sjj s GLU 144 Cb -0.15 -1.79 0.03 0.00 0.10 0.00 0.00 34.13 32.31 1sjj s GLU 144 CO 0.18 -2.27 0.63 -2.37 0.02 0.00 0.00 175.26 171.46 1sjj n THR 145 N -3.96 -3.85 0.00 3.63 5.66 -1.26 -4.98 114.28 109.52 1sjj n THR 145 Ca 0.10 0.04 0.00 0.00 -3.05 0.00 0.00 64.05 61.14 1sjj n THR 145 Cb 0.53 -3.35 0.00 0.00 -1.55 0.00 0.00 70.33 65.96 1sjj n THR 145 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1sjj n SER 146 N -1.47 0.00 0.00 1.09 7.64 -1.24 -4.91 113.62 114.72 1sjj n SER 146 Ca -0.20 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.68 1sjj n SER 146 Cb 0.68 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 1sjj n SER 146 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sjj n ALA 147 N 0.00 0.00 0.00 -0.43 0.00 -1.26 -4.46 120.51 114.36 1sjj n ALA 147 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1sjj n ALA 147 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1sjj n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1sjj n LYS 148 N -1.43 0.00 -0.34 0.00 3.00 -1.26 -0.52 118.16 117.62 1sjj n LYS 148 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.27 1sjj n LYS 148 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.04 1sjj n LYS 148 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1sjj h GLU 149 N 0.00 -0.05 0.00 1.64 3.07 -2.00 -3.06 114.58 114.18 1sjj h GLU 149 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1sjj h GLU 149 Cb 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1sjj h GLU 149 CO 0.00 -0.04 0.00 0.41 -1.40 0.00 0.00 179.01 177.98 1sjj n GLY 150 N -1.43 2.24 0.00 -3.84 0.00 -1.26 -3.72 105.19 97.18 1sjj n GLY 150 Ca 0.07 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1sjj n GLY 150 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1sjj n LEU 151 N 0.00 0.00 -0.00 0.99 4.32 -1.16 -4.59 117.00 116.56 1sjj n LEU 151 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.88 1sjj n LEU 151 Cb 0.00 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 41.73 1sjj n LEU 151 CO 0.00 0.00 0.50 0.25 -1.22 0.00 0.00 177.39 176.92 1sjj h LEU 152 N 0.00 -1.26 -0.66 2.23 5.85 -1.13 -1.39 115.31 118.95 1sjj h LEU 152 Ca 0.00 0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.91 1sjj h LEU 152 Cb 0.00 0.49 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 1sjj h LEU 152 CO 0.00 -0.36 0.40 -0.07 -0.34 0.00 0.00 178.44 178.07 1sjj h LEU 153 N -0.43 0.64 -1.28 2.25 4.07 -1.78 -2.96 115.31 115.82 1sjj h LEU 153 Ca 0.02 0.01 0.22 0.00 0.08 0.00 0.00 57.88 58.21 1sjj h LEU 153 Cb 0.50 -0.13 -0.09 0.00 1.08 0.00 0.00 40.66 42.02 1sjj h LEU 153 CO -0.32 0.44 0.62 -0.25 -1.08 0.00 0.00 178.44 177.86 1sjj h TRP 154 N 0.77 0.78 -0.08 1.13 7.01 -1.51 -1.95 115.95 122.11 1sjj h TRP 154 Ca 0.27 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.28 1sjj h TRP 154 Cb 0.06 -0.23 -0.00 0.00 -2.10 0.00 0.00 29.16 26.89 1sjj h TRP 154 CO -0.05 0.16 -0.03 1.88 -2.79 0.00 0.00 178.44 177.60 1sjj h TYR 155 N 0.54 0.17 -0.60 2.65 0.05 -1.30 -3.33 116.97 115.15 1sjj h TYR 155 Ca 0.55 -0.04 0.12 0.00 0.05 0.00 0.00 58.73 59.40 1sjj h TYR 155 Cb 1.16 -0.04 -0.12 0.00 1.01 0.00 0.00 36.73 38.74 1sjj h TYR 155 CO -0.00 0.50 -0.23 0.37 -1.05 0.00 0.00 178.16 177.75 1sjj h GLN 156 N -0.21 -0.08 -0.97 4.88 -0.00 -1.32 -2.99 115.11 114.43 1sjj h GLN 156 Ca 0.02 0.01 0.21 0.00 -0.00 0.00 0.00 58.65 58.88 1sjj h GLN 156 Cb 0.45 0.02 -0.18 0.00 0.00 0.00 0.00 27.48 27.77 1sjj h GLN 156 CO 0.01 -0.05 -0.19 -0.09 0.00 0.00 0.00 178.83 178.51 1sjj h ARG 157 N -0.08 0.00 -0.28 1.69 2.43 -1.59 -2.28 114.38 114.27 1sjj h ARG 157 Ca 0.27 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.41 1sjj h ARG 157 Cb 0.51 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1sjj h ARG 157 CO -0.66 0.00 0.03 0.87 -1.51 0.00 0.00 179.97 178.71 1sjj h LYS 158 N 0.00 0.48 0.00 0.20 6.56 -1.69 -3.22 116.57 118.89 1sjj h LYS 158 Ca 0.49 -0.13 -0.04 0.00 -1.06 0.00 0.00 60.65 59.90 1sjj h LYS 158 Cb 0.79 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 32.40 1sjj h LYS 158 CO -0.98 0.60 -0.19 1.79 -2.06 0.00 0.00 179.45 178.61 1sjj h THR 159 N 0.29 0.35 0.00 -0.16 1.35 -1.52 -3.36 112.91 109.85 1sjj h THR 159 Ca 0.08 -1.36 -0.00 0.00 -0.55 0.00 0.00 66.41 64.59 1sjj h THR 159 Cb 0.36 2.06 -0.00 0.00 -1.73 0.00 0.00 68.15 68.84 1sjj h THR 159 CO 0.01 0.19 -0.01 0.00 -0.25 0.00 0.00 175.52 175.46 1sjj h ALA 160 N 1.81 1.88 0.00 6.62 0.00 -1.46 0.10 119.26 128.21 1sjj h ALA 160 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sjj h ALA 160 Cb 1.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1sjj h ALA 160 CO 0.02 0.01 0.00 -2.30 0.00 0.00 0.00 179.25 176.98 1sjj n PRO 161 N -4.37 0.16 -3.83 0.00 -0.02 -1.26 -3.86 135.00 121.83 1sjj n PRO 161 Ca -0.03 0.17 -0.32 0.00 -2.02 0.00 0.00 63.50 61.31 1sjj n PRO 161 Cb 0.09 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 31.96 1sjj n PRO 161 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1sjj s TYR 162 N -2.53 3.49 -1.10 6.00 2.02 0.02 -4.96 117.35 120.29 1sjj s TYR 162 Ca 0.10 -3.11 -0.10 0.00 -0.37 0.00 0.00 57.07 53.59 1sjj s TYR 162 Cb 0.07 -2.95 -0.07 0.00 -0.40 0.00 0.00 41.96 38.61 1sjj s TYR 162 CO 0.16 -0.70 2.27 1.63 -1.57 0.00 0.00 175.55 177.34 1sjj n LYS 163 N 2.67 2.41 0.00 -0.62 5.02 -1.25 -2.69 118.16 123.70 1sjj n LYS 163 Ca 0.13 -1.80 0.00 0.00 -2.02 0.00 0.00 58.31 54.62 1sjj n LYS 163 Cb 0.35 -2.69 0.00 0.00 -0.02 0.00 0.00 35.03 32.67 1sjj n LYS 163 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1sjj n ASN 164 N 4.86 0.26 -3.84 4.39 3.02 -1.26 -4.97 115.26 117.71 1sjj n ASN 164 Ca 0.54 -0.74 -0.27 0.00 -0.03 0.00 0.00 54.58 54.07 1sjj n ASN 164 Cb 0.23 0.12 -0.17 0.00 -0.61 0.00 0.00 39.78 39.35 1sjj n ASN 164 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1sjj s VAL 165 N -0.12 0.88 -0.44 2.41 1.01 -1.09 -4.95 120.40 118.09 1sjj s VAL 165 Ca 0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 1sjj s VAL 165 Cb 0.00 -1.15 0.09 0.00 0.00 0.00 0.00 36.38 35.32 1sjj s VAL 165 CO 0.00 0.04 0.30 0.21 0.00 0.00 0.00 175.10 175.65 1sjj s ASN 166 N 1.72 5.70 -0.77 3.32 3.84 -1.26 -4.63 114.94 122.86 1sjj s ASN 166 Ca 0.00 -1.63 -0.22 0.00 0.21 0.00 0.00 52.86 51.22 1sjj s ASN 166 Cb -0.16 -2.01 0.08 0.00 -0.55 0.00 0.00 41.25 38.61 1sjj s ASN 166 CO -0.07 -0.60 1.10 -0.63 -2.79 0.00 0.00 177.10 174.10 1sjj s ILE 167 N 1.42 4.29 -0.17 -5.21 1.01 -1.26 -4.81 121.20 116.47 1sjj s ILE 167 Ca 0.04 -0.58 -0.08 0.00 0.00 0.00 0.00 60.65 60.03 1sjj s ILE 167 Cb -0.24 -4.78 -0.22 0.00 0.01 0.00 0.00 42.46 37.22 1sjj s ILE 167 CO 0.01 -1.58 0.19 1.67 0.00 0.00 0.00 174.94 175.24 1sjj n GLN 168 N 7.79 0.70 0.00 2.79 0.00 -1.26 -4.76 117.38 122.64 1sjj n GLN 168 Ca 0.07 0.29 0.00 0.00 -0.00 0.00 0.00 57.00 57.37 1sjj n GLN 168 Cb 0.47 -1.67 0.00 0.00 0.00 0.00 0.00 30.24 29.05 1sjj n GLN 168 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1sjj n ASN 169 N -3.65 0.31 -2.33 1.69 0.23 -1.26 -5.05 115.26 105.19 1sjj n ASN 169 Ca -0.36 0.00 -0.15 0.00 -0.53 0.00 0.00 54.58 53.54 1sjj n ASN 169 Cb 0.97 0.00 0.03 0.00 -2.08 0.00 0.00 39.78 38.70 1sjj n ASN 169 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1sjj n PHE 170 N 0.00 2.21 0.00 -2.53 3.72 -1.26 -4.90 117.46 114.70 1sjj n PHE 170 Ca 0.00 -2.21 0.00 0.00 -0.05 0.00 0.00 57.45 55.19 1sjj n PHE 170 Cb 0.00 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.24 1sjj n PHE 170 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 1sjj n HIS 171 N -0.66 0.00 0.13 1.38 1.44 -1.26 -3.95 115.22 112.30 1sjj n HIS 171 Ca 0.30 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 56.03 1sjj n HIS 171 Cb 0.90 0.00 0.35 0.00 0.12 0.00 0.00 29.99 31.36 1sjj n HIS 171 CO 0.00 0.00 0.00 -0.84 -2.81 0.00 0.00 176.34 172.69 1sjj h ILE 172 N 0.00 1.23 -0.24 0.61 -0.00 -1.90 -3.14 117.51 114.06 1sjj h ILE 172 Ca 0.00 -1.05 -0.13 0.00 -0.00 0.00 0.00 64.86 63.67 1sjj h ILE 172 Cb 0.00 1.43 -0.07 0.00 -0.00 0.00 0.00 36.82 38.18 1sjj h ILE 172 CO 0.00 0.32 0.17 -1.20 -0.00 0.00 0.00 178.15 177.44 1sjj n SER 173 N -4.18 3.83 0.00 2.16 7.64 -1.26 -1.60 113.62 120.20 1sjj n SER 173 Ca -0.01 -2.47 0.00 0.00 1.01 0.00 0.00 58.87 57.39 1sjj n SER 173 Cb 0.35 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 1sjj n SER 173 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1sjj n TRP 174 N 0.29 0.00 0.17 1.43 7.02 -1.19 -4.52 117.44 120.65 1sjj n TRP 174 Ca 0.15 -0.27 0.05 0.00 -1.02 0.00 0.00 57.50 56.41 1sjj n TRP 174 Cb 0.73 -0.03 0.14 0.00 -2.42 0.00 0.00 31.31 29.73 1sjj n TRP 174 CO 0.00 0.00 0.00 -0.22 -2.02 0.00 0.00 177.69 175.45 1sjj h LYS 175 N 0.00 0.00 -0.76 -0.99 3.64 -1.47 -2.14 116.57 114.85 1sjj h LYS 175 Ca 0.00 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 1sjj h LYS 175 Cb 0.44 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.21 1sjj h LYS 175 CO 0.00 0.40 0.50 0.38 -2.27 0.00 0.00 179.45 178.46 1sjj h ASP 176 N 0.00 0.58 0.00 4.20 3.04 -1.88 -3.45 116.42 118.91 1sjj h ASP 176 Ca -0.00 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.80 1sjj h ASP 176 Cb 1.20 -0.10 0.00 0.00 -1.04 0.00 0.00 39.33 39.39 1sjj h ASP 176 CO 0.05 0.34 0.00 0.61 -2.04 0.00 0.00 179.24 178.20 1sjj n GLY 177 N -1.46 1.83 0.32 7.15 0.00 -0.80 -4.71 105.19 107.51 1sjj n GLY 177 Ca 0.13 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.23 1sjj n GLY 177 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sjj h LEU 178 N 0.00 -0.30 -0.92 0.99 3.38 -1.89 -2.88 115.31 113.68 1sjj h LEU 178 Ca 0.00 0.24 0.27 0.00 0.09 0.00 0.00 57.88 58.47 1sjj h LEU 178 Cb 0.00 0.39 -0.15 0.00 0.09 0.00 0.00 40.66 40.99 1sjj h LEU 178 CO 0.00 -0.26 0.33 1.23 0.09 0.00 0.00 178.44 179.83 1sjj h GLY 179 N 0.09 1.58 0.69 0.83 0.00 -1.90 -1.90 103.07 102.46 1sjj h GLY 179 Ca 0.54 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.76 1sjj h GLY 179 CO -0.78 -0.42 -0.33 0.74 0.00 0.00 0.00 176.54 175.74 1sjj h PHE 180 N 0.22 -0.86 -0.99 5.60 0.04 -1.88 0.11 116.94 119.19 1sjj h PHE 180 Ca 0.61 -0.02 0.27 0.00 2.80 0.00 0.00 57.97 61.64 1sjj h PHE 180 Cb 1.31 0.29 -0.13 0.00 2.20 0.00 0.00 35.95 39.61 1sjj h PHE 180 CO -0.20 -0.54 0.56 0.00 -0.60 0.00 0.00 178.31 177.53 1sjj h ALA 182 N 1.77 0.06 -0.79 0.00 0.00 -1.33 -2.24 119.26 116.74 1sjj h ALA 182 Ca 0.67 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 55.41 1sjj h ALA 182 Cb 1.37 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 1sjj h ALA 182 CO -0.53 -0.15 0.52 1.25 0.00 0.00 0.00 179.25 180.33 1sjj h LEU 183 N -0.35 0.65 0.11 0.00 5.85 0.23 -1.28 115.31 120.53 1sjj h LEU 183 Ca 0.01 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1sjj h LEU 183 Cb 0.54 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1sjj h LEU 183 CO 0.01 0.39 -0.06 0.40 -0.34 0.00 0.00 178.44 178.84 1sjj h ILE 184 N 0.72 0.96 -0.01 4.05 2.04 -1.06 -3.28 117.51 120.93 1sjj h ILE 184 Ca 0.37 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.97 1sjj h ILE 184 Cb 0.46 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1sjj h ILE 184 CO -0.14 0.06 0.02 -0.74 0.00 0.00 0.00 178.15 177.35 1sjj h HIS 185 N -0.27 0.00 0.00 1.37 2.76 -0.60 0.32 115.15 118.73 1sjj h HIS 185 Ca -0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1sjj h HIS 185 Cb 0.22 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.18 1sjj h HIS 185 CO -0.03 0.00 -0.22 0.00 -1.30 0.00 0.00 177.93 176.37 1sjj h ARG 186 N 0.00 0.00 0.03 5.26 2.47 -1.51 -2.85 114.38 117.78 1sjj h ARG 186 Ca 0.00 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.42 1sjj h ARG 186 Cb 0.04 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.32 1sjj h ARG 186 CO -0.00 0.00 -1.66 0.72 0.56 0.00 0.00 179.97 179.59 1sjj n HIS 187 N -2.75 0.89 -3.90 3.04 8.25 -0.22 -4.88 115.22 115.66 1sjj n HIS 187 Ca 0.04 0.32 -0.30 0.00 -0.26 0.00 0.00 57.72 57.52 1sjj n HIS 187 Cb 0.50 -1.10 -0.14 0.00 1.12 0.00 0.00 29.99 30.37 1sjj n HIS 187 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1sjj s ARG 188 N -2.43 1.69 0.00 -0.41 1.81 0.97 -4.24 118.95 116.33 1sjj s ARG 188 Ca -0.29 -2.31 0.30 0.00 -1.72 0.00 0.00 55.73 51.71 1sjj s ARG 188 Cb 0.07 -3.03 1.47 0.00 -0.45 0.00 0.00 34.95 33.01 1sjj s ARG 188 CO 0.62 -1.09 2.01 -0.35 -0.68 0.00 0.00 175.30 175.81 1sjj n PRO 189 N 3.46 0.54 -0.07 3.54 -0.04 -1.08 -3.97 135.00 137.38 1sjj n PRO 189 Ca 0.05 -0.06 -0.20 0.00 -0.04 0.00 0.00 63.50 63.25 1sjj n PRO 189 Cb 0.35 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.18 1sjj n PRO 189 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1sjj h GLU 190 N 0.15 0.05 0.27 0.54 9.09 -1.94 -3.45 114.58 119.30 1sjj h GLU 190 Ca 0.00 -0.08 -0.01 0.00 0.05 0.00 0.00 59.36 59.31 1sjj h GLU 190 Cb 0.28 0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.42 1sjj h GLU 190 CO 0.00 1.04 -0.13 -0.07 0.05 0.00 0.00 179.01 179.90 1sjj h LEU 191 N -0.86 -0.31 -9.68 3.06 3.38 -2.01 -3.43 115.31 105.46 1sjj h LEU 191 Ca -0.25 0.01 -0.56 0.00 0.09 0.00 0.00 57.88 57.17 1sjj h LEU 191 Cb 1.31 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 42.06 1sjj h LEU 191 CO -0.10 -0.22 -0.60 -0.51 0.09 0.00 0.00 178.44 177.11 1sjj s ILE 192 N -3.72 4.06 0.49 1.22 1.10 -1.26 -5.13 121.20 117.96 1sjj s ILE 192 Ca -0.05 -1.42 -0.12 0.00 -0.51 0.00 0.00 60.65 58.54 1sjj s ILE 192 Cb 0.01 -3.11 -0.06 0.00 0.15 0.00 0.00 42.46 39.44 1sjj s ILE 192 CO 0.16 -0.22 0.90 -0.62 -2.11 0.00 0.00 174.94 173.05 1sjj s ASP 193 N -3.35 6.48 -0.03 4.50 3.68 -1.26 -4.91 116.67 121.78 1sjj s ASP 193 Ca 0.30 1.33 -0.22 0.00 2.13 0.00 0.00 52.55 56.09 1sjj s ASP 193 Cb -0.09 -2.41 -0.24 0.00 -1.45 0.00 0.00 42.92 38.74 1sjj s ASP 193 CO 0.22 -0.57 1.05 0.22 0.13 0.00 0.00 175.17 176.22 1sjj h TYR 194 N 0.74 0.43 -0.28 -5.34 3.20 -1.93 -3.40 116.97 110.39 1sjj h TYR 194 Ca -0.46 -0.24 0.06 0.00 3.14 0.00 0.00 58.73 61.22 1sjj h TYR 194 Cb 1.19 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 39.36 1sjj h TYR 194 CO 0.63 1.05 -0.06 0.78 -1.64 0.00 0.00 178.16 178.92 1sjj h GLY 195 N -0.31 0.21 2.00 1.82 0.00 -1.98 -2.02 103.07 102.79 1sjj h GLY 195 Ca -0.06 0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 1sjj h GLY 195 CO 0.09 -0.10 -0.17 0.50 0.00 0.00 0.00 176.54 176.85 1sjj h LYS 196 N 0.01 0.00 -0.05 4.80 1.57 -1.99 -2.84 116.57 118.07 1sjj h LYS 196 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1sjj h LYS 196 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1sjj h LYS 196 CO -0.28 0.17 0.00 1.28 -0.57 0.00 0.00 179.45 180.05 1sjj n LEU 197 N -4.04 0.96 -0.72 2.94 4.77 -0.77 -2.77 117.00 117.37 1sjj n LEU 197 Ca -0.02 -0.36 0.08 0.00 -0.03 0.00 0.00 56.01 55.68 1sjj n LEU 197 Cb 0.25 -0.03 0.22 0.00 -2.33 0.00 0.00 43.42 41.53 1sjj n LEU 197 CO 0.34 0.18 0.67 -1.14 -1.33 0.00 0.00 177.39 176.11 1sjj n ARG 198 N -0.20 2.70 -2.61 3.23 0.63 -1.07 -4.29 116.66 115.04 1sjj n ARG 198 Ca 0.18 -2.65 -0.10 0.00 -0.92 0.00 0.00 57.85 54.36 1sjj n ARG 198 Cb 0.24 -1.69 0.03 0.00 0.45 0.00 0.00 32.46 31.50 1sjj n ARG 198 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1sjj n LYS 199 N -0.49 2.03 -4.01 -0.14 5.02 -1.12 -5.03 118.16 114.44 1sjj n LYS 199 Ca 0.19 -3.65 -0.31 0.00 -2.02 0.00 0.00 58.31 52.51 1sjj n LYS 199 Cb 0.77 -1.67 -0.15 0.00 -0.02 0.00 0.00 35.03 33.96 1sjj n LYS 199 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sjj s ASP 200 N -3.52 4.46 0.34 4.39 1.01 -1.26 -5.02 116.67 117.07 1sjj s ASP 200 Ca 0.33 -1.69 0.12 0.00 0.71 0.00 0.00 52.55 52.02 1sjj s ASP 200 Cb 0.39 -1.48 0.61 0.00 1.01 0.00 0.00 42.92 43.45 1sjj s ASP 200 CO -0.02 -0.29 1.77 0.44 0.21 0.00 0.00 175.17 177.28 1sjj h ASP 201 N 7.75 0.02 -0.65 0.27 3.32 -1.95 -3.41 116.42 121.77 1sjj h ASP 201 Ca -0.12 -0.01 -0.59 0.00 0.02 0.00 0.00 57.03 56.32 1sjj h ASP 201 Cb 1.04 -0.01 -0.06 0.00 0.22 0.00 0.00 39.33 40.52 1sjj h ASP 201 CO 0.48 0.45 2.01 -0.81 -1.72 0.00 0.00 179.24 179.65 1sjj n PRO 202 N -4.02 2.70 -0.20 3.56 -0.04 -1.26 -4.77 135.00 130.97 1sjj n PRO 202 Ca -0.02 -2.96 -0.03 0.00 -0.04 0.00 0.00 63.50 60.45 1sjj n PRO 202 Cb 0.46 -3.52 0.03 0.00 -0.04 0.00 0.00 33.50 30.43 1sjj n PRO 202 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1sjj h LEU 203 N 13.70 -0.92 -0.01 1.53 4.07 -1.89 -2.92 115.31 128.87 1sjj h LEU 203 Ca 0.40 0.21 0.00 0.00 0.08 0.00 0.00 57.88 58.57 1sjj h LEU 203 Cb 0.86 0.50 0.00 0.00 1.08 0.00 0.00 40.66 43.10 1sjj h LEU 203 CO 1.46 -0.27 0.00 0.35 -1.08 0.00 0.00 178.44 178.90 1sjj n THR 204 N -5.44 0.00 -2.50 0.22 -2.24 -1.26 -3.21 114.28 99.85 1sjj n THR 204 Ca 0.05 -0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.77 1sjj n THR 204 Cb 0.35 -0.33 0.05 0.00 -2.10 0.00 0.00 70.33 68.30 1sjj n THR 204 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1sjj n ASN 205 N -0.82 2.44 -0.90 3.42 5.03 -1.10 -4.72 115.26 118.60 1sjj n ASN 205 Ca 0.16 -2.61 0.01 0.00 0.87 0.00 0.00 54.58 53.01 1sjj n ASN 205 Cb 0.08 -0.42 0.09 0.00 -1.02 0.00 0.00 39.78 38.50 1sjj n ASN 205 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1sjj n LEU 206 N -0.53 2.38 0.25 3.41 4.77 -1.20 -4.71 117.00 121.38 1sjj n LEU 206 Ca 0.18 -1.21 0.10 0.00 -0.03 0.00 0.00 56.01 55.05 1sjj n LEU 206 Cb 0.88 -0.55 0.55 0.00 -2.33 0.00 0.00 43.42 41.97 1sjj n LEU 206 CO 0.14 0.38 0.96 0.78 -1.33 0.00 0.00 177.39 178.32 1sjj h ASN 207 N 0.85 0.00 -0.89 -1.43 2.35 -1.91 -2.85 115.58 111.70 1sjj h ASN 207 Ca 0.02 0.00 0.24 0.00 -0.55 0.00 0.00 56.30 56.01 1sjj h ASN 207 Cb 0.94 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.17 1sjj h ASN 207 CO 0.14 0.00 0.28 0.71 -1.65 0.00 0.00 177.43 176.91 1sjj h THR 208 N 0.00 0.33 -0.33 2.81 1.35 -1.99 -0.67 112.91 114.41 1sjj h THR 208 Ca 0.00 -0.08 0.03 0.00 -0.55 0.00 0.00 66.41 65.81 1sjj h THR 208 Cb 0.71 0.07 -0.04 0.00 -1.73 0.00 0.00 68.15 67.16 1sjj h THR 208 CO 0.00 0.04 -0.19 0.00 -0.25 0.00 0.00 175.52 175.12 1sjj n ALA 209 N -2.65 -0.21 0.19 6.62 0.00 -1.08 -1.03 120.51 122.36 1sjj n ALA 209 Ca 0.22 0.28 0.08 0.00 0.00 0.00 0.00 53.44 54.03 1sjj n ALA 209 Cb 0.71 0.13 0.19 0.00 0.00 0.00 0.00 19.45 20.48 1sjj n ALA 209 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1sjj h PHE 210 N 0.00 0.00 0.14 0.00 0.04 -1.42 -3.11 116.94 112.58 1sjj h PHE 210 Ca 0.05 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.64 1sjj h PHE 210 Cb 0.14 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.31 1sjj h PHE 210 CO -0.68 0.23 -0.83 0.22 -0.60 0.00 0.00 178.31 176.66 1sjj h ASP 211 N 0.00 0.45 -0.51 2.17 3.58 -1.11 -3.21 116.42 117.79 1sjj h ASP 211 Ca -0.00 -0.95 -0.07 0.00 0.42 0.00 0.00 57.03 56.42 1sjj h ASP 211 Cb 1.08 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.97 1sjj h ASP 211 CO 0.03 1.40 0.03 -0.37 -2.88 0.00 0.00 179.24 177.44 1sjj h VAL 212 N -0.38 1.26 -0.87 2.25 -1.51 -1.13 -2.25 116.25 113.62 1sjj h VAL 212 Ca -0.15 -1.04 0.24 0.00 -1.23 0.00 0.00 66.70 64.52 1sjj h VAL 212 Cb 1.63 0.92 -0.16 0.00 -2.13 0.00 0.00 31.29 31.56 1sjj h VAL 212 CO 0.14 0.37 0.01 0.00 -1.23 0.00 0.00 177.57 176.86 1sjj n ALA 213 N -2.43 0.43 -0.14 5.19 0.00 -1.18 -0.08 120.51 122.30 1sjj n ALA 213 Ca 0.01 0.93 0.00 0.00 0.00 0.00 0.00 53.44 54.38 1sjj n ALA 213 Cb 0.30 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.07 1sjj n ALA 213 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1sjj n GLU 214 N -5.26 0.00 0.24 0.00 2.13 -0.87 -1.93 120.64 114.95 1sjj n GLU 214 Ca 0.20 0.43 0.07 0.00 0.66 0.00 0.00 57.16 58.52 1sjj n GLU 214 Cb 0.66 -1.34 0.58 0.00 0.27 0.00 0.00 31.44 31.61 1sjj n GLU 214 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1sjj h LYS 215 N 0.00 0.00 0.00 5.31 6.56 -1.26 -1.68 116.57 125.50 1sjj h LYS 215 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1sjj h LYS 215 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1sjj h LYS 215 CO 0.00 0.12 -1.46 0.66 -2.06 0.00 0.00 179.45 176.70 1sjj n TYR 216 N -4.30 0.00 -0.38 -1.35 4.01 0.89 -4.69 117.16 111.33 1sjj n TYR 216 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1sjj n TYR 216 Cb 0.19 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 1sjj n TYR 216 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1sjj n LEU 217 N -1.87 0.76 -3.29 7.72 4.77 -0.81 -4.99 117.00 119.29 1sjj n LEU 217 Ca -0.02 -0.76 -0.15 0.00 -0.03 0.00 0.00 56.01 55.05 1sjj n LEU 217 Cb 0.32 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.46 1sjj n LEU 217 CO 0.27 0.19 0.07 0.47 -1.33 0.00 0.00 177.39 177.06 1sjj n ASP 218 N -0.07 -6.64 -4.34 -1.43 9.92 -0.64 -4.79 116.55 108.56 1sjj n ASP 218 Ca 0.00 -0.64 -0.33 0.00 -0.53 0.00 0.00 54.79 53.29 1sjj n ASP 218 Cb 0.15 -4.88 -0.15 0.00 -0.64 0.00 0.00 41.12 35.60 1sjj n ASP 218 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1sjj s ILE 219 N -3.32 2.83 -0.07 0.53 -1.09 -0.99 -4.97 121.20 114.13 1sjj s ILE 219 Ca 0.36 -0.74 -0.30 0.00 -2.23 0.00 0.00 60.65 57.74 1sjj s ILE 219 Cb -0.06 -2.17 -0.03 0.00 -1.58 0.00 0.00 42.46 38.61 1sjj s ILE 219 CO 0.76 0.53 1.27 -2.16 -1.23 0.00 0.00 174.94 174.11 1sjj s PRO 220 N 0.36 4.31 -0.35 2.79 0.04 -1.26 -4.17 135.00 136.71 1sjj s PRO 220 Ca -0.13 1.74 -0.29 0.00 0.04 0.00 0.00 61.00 62.37 1sjj s PRO 220 Cb -0.16 -3.62 -0.00 0.00 0.04 0.00 0.00 34.50 30.76 1sjj s PRO 220 CO 0.06 -0.54 1.54 0.15 0.04 0.00 0.00 177.00 178.26 1sjj s LYS 221 N 2.58 3.56 0.00 4.56 1.02 -1.26 -4.83 119.74 125.37 1sjj s LYS 221 Ca 0.58 1.21 0.20 0.00 0.02 0.00 0.00 55.97 57.97 1sjj s LYS 221 Cb -0.26 -4.06 0.43 0.00 -0.52 0.00 0.00 37.83 33.42 1sjj s LYS 221 CO 0.21 -1.58 1.36 -1.33 -0.92 0.00 0.00 175.35 173.10 1sjj n MET 222 N 8.06 2.45 -3.67 1.68 2.81 -1.26 -4.98 117.12 122.21 1sjj n MET 222 Ca 0.19 -2.24 -0.10 0.00 -1.81 0.00 0.00 57.70 53.73 1sjj n MET 222 Cb 0.47 -1.46 -0.04 0.00 -0.71 0.00 0.00 33.22 31.49 1sjj n MET 222 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1sjj s LEU 223 N -1.24 0.04 0.00 4.03 1.43 -1.26 -5.08 118.68 116.60 1sjj s LEU 223 Ca 0.36 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 1sjj s LEU 223 Cb 0.20 2.16 0.00 0.00 0.03 0.00 0.00 46.19 48.58 1sjj s LEU 223 CO 0.28 -1.00 0.00 0.47 0.23 0.00 0.00 176.35 176.32 1sjj n ASP 224 N -0.33 0.00 0.03 2.29 8.00 -1.26 -5.07 116.55 120.21 1sjj n ASP 224 Ca -0.12 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.17 1sjj n ASP 224 Cb 0.63 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.59 1sjj n ASP 224 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sjj h ALA 225 N 1.00 0.34 -1.02 2.24 0.00 -1.99 -3.34 119.26 116.50 1sjj h ALA 225 Ca 0.00 -1.29 0.41 0.00 0.00 0.00 0.00 54.91 54.02 1sjj h ALA 225 Cb 0.00 0.59 -0.16 0.00 0.00 0.00 0.00 17.79 18.21 1sjj h ALA 225 CO 0.00 1.22 0.58 0.39 0.00 0.00 0.00 179.25 181.43 1sjj n GLU 226 N -3.50 -0.05 0.00 0.00 -0.58 -1.26 -0.20 120.64 115.04 1sjj n GLU 226 Ca -0.28 1.28 0.00 0.00 -0.42 0.00 0.00 57.16 57.74 1sjj n GLU 226 Cb 1.06 -2.35 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 1sjj n GLU 226 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1sjj n ASP 227 N -5.03 0.00 -0.15 1.62 5.68 -1.26 -2.86 116.55 114.54 1sjj n ASP 227 Ca 0.36 0.16 -0.02 0.00 -0.50 0.00 0.00 54.79 54.79 1sjj n ASP 227 Cb 1.27 -0.28 0.06 0.00 -1.14 0.00 0.00 41.12 41.03 1sjj n ASP 227 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1sjj h ILE 228 N 0.00 0.65 0.00 2.12 6.09 -1.63 -3.06 117.51 121.68 1sjj h ILE 228 Ca 0.00 -0.05 -0.37 0.00 -1.37 0.00 0.00 64.86 63.08 1sjj h ILE 228 Cb 0.00 0.49 -0.06 0.00 0.47 0.00 0.00 36.82 37.72 1sjj h ILE 228 CO 0.00 0.03 -2.28 0.52 -3.07 0.00 0.00 178.15 173.35 1sjj n VAL 229 N -5.20 1.27 -0.07 2.19 0.31 -1.01 -4.20 118.33 111.62 1sjj n VAL 229 Ca 0.05 -0.39 -0.09 0.00 -0.01 0.00 0.00 64.34 63.91 1sjj n VAL 229 Cb 0.26 -1.60 -0.02 0.00 -0.91 0.00 0.00 33.84 31.57 1sjj n VAL 229 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1sjj h GLY 230 N 0.18 0.36 -0.75 2.92 0.00 -0.61 -3.43 103.07 101.74 1sjj h GLY 230 Ca -0.55 -0.11 -0.27 0.00 0.00 0.00 0.00 47.33 46.39 1sjj h GLY 230 CO -0.24 0.10 0.10 -0.37 0.00 0.00 0.00 176.54 176.13 1sjj n THR 231 N -4.94 0.00 -0.11 4.70 5.66 -1.14 -4.97 114.28 113.49 1sjj n THR 231 Ca -0.02 -0.88 -0.13 0.00 -3.05 0.00 0.00 64.05 59.97 1sjj n THR 231 Cb 0.05 -1.18 -0.13 0.00 -1.55 0.00 0.00 70.33 67.51 1sjj n THR 231 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1sjj n ALA 232 N -3.03 1.51 -3.61 1.79 0.00 -1.26 -4.81 120.51 111.09 1sjj n ALA 232 Ca -0.10 -1.12 -0.29 0.00 0.00 0.00 0.00 53.44 51.93 1sjj n ALA 232 Cb 0.35 -0.09 -0.13 0.00 0.00 0.00 0.00 19.45 19.57 1sjj n ALA 232 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1sjj s ARG 233 N -2.47 0.76 1.04 0.00 0.52 -1.26 -4.89 118.95 112.65 1sjj s ARG 233 Ca -0.22 -1.36 -0.16 0.00 -0.52 0.00 0.00 55.73 53.47 1sjj s ARG 233 Cb 0.07 -1.75 0.21 0.00 0.52 0.00 0.00 34.95 34.00 1sjj s ARG 233 CO 0.65 -1.12 1.18 -2.14 0.02 0.00 0.00 175.30 173.89 1sjj s PRO 234 N 1.13 0.09 -0.12 3.54 0.02 -1.26 -5.05 135.00 133.35 1sjj s PRO 234 Ca 0.15 -0.05 -0.17 0.00 0.02 0.00 0.00 61.00 60.95 1sjj s PRO 234 Cb -0.21 -1.75 -0.04 0.00 0.02 0.00 0.00 34.50 32.52 1sjj s PRO 234 CO -0.11 -2.84 0.42 0.34 -0.33 0.00 0.00 177.00 174.48 1sjj s ASP 235 N -4.22 6.62 0.37 2.53 -1.08 -1.26 -4.90 116.67 114.72 1sjj s ASP 235 Ca 0.70 0.74 0.10 0.00 -0.52 0.00 0.00 52.55 53.56 1sjj s ASP 235 Cb -0.10 -2.25 0.71 0.00 -1.46 0.00 0.00 42.92 39.82 1sjj s ASP 235 CO 0.54 0.06 1.85 -0.08 0.52 0.00 0.00 175.17 178.06 1sjj h GLU 236 N 6.53 0.18 0.14 4.34 4.22 -1.97 -2.79 114.58 125.22 1sjj h GLU 236 Ca -0.42 -0.06 -0.35 0.00 0.08 0.00 0.00 59.36 58.61 1sjj h GLU 236 Cb 1.18 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1sjj h GLU 236 CO 0.74 0.42 -1.87 0.87 -2.18 0.00 0.00 179.01 176.99 1sjj h LYS 237 N 0.17 0.29 -0.23 1.92 1.57 -1.95 -1.16 116.57 117.17 1sjj h LYS 237 Ca 0.03 -0.50 -0.15 0.00 -1.87 0.00 0.00 60.65 58.16 1sjj h LYS 237 Cb 0.53 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1sjj h LYS 237 CO 0.04 1.24 -0.43 0.00 -0.57 0.00 0.00 179.45 179.72 1sjj h ALA 238 N 0.05 0.37 -0.45 3.86 0.00 -1.96 -1.15 119.26 119.98 1sjj h ALA 238 Ca -0.39 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 53.92 1sjj h ALA 238 Cb 2.01 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 1sjj h ALA 238 CO 0.10 0.49 -0.22 0.82 0.00 0.00 0.00 179.25 180.44 1sjj h ILE 239 N 0.42 1.27 -0.81 0.00 2.04 -1.62 -1.48 117.51 117.33 1sjj h ILE 239 Ca 0.01 -1.38 0.06 0.00 1.00 0.00 0.00 64.86 64.56 1sjj h ILE 239 Cb 1.03 1.15 -0.06 0.00 -0.74 0.00 0.00 36.82 38.21 1sjj h ILE 239 CO 0.10 0.47 0.49 -0.03 0.00 0.00 0.00 178.15 179.18 1sjj h MET 240 N 0.80 0.86 -0.26 2.37 4.05 -1.21 -2.42 114.93 119.13 1sjj h MET 240 Ca 0.10 -0.05 -0.05 0.00 -0.28 0.00 0.00 59.70 59.42 1sjj h MET 240 Cb 0.78 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.37 1sjj h MET 240 CO 0.07 0.57 -0.08 1.79 0.23 0.00 0.00 176.91 179.49 1sjj h THR 241 N 0.89 1.20 0.47 -0.77 1.35 -0.79 -1.99 112.91 113.26 1sjj h THR 241 Ca 0.36 -0.84 -0.02 0.00 -0.55 0.00 0.00 66.41 65.35 1sjj h THR 241 Cb 0.19 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1sjj h THR 241 CO -0.18 0.27 -0.22 0.22 -0.25 0.00 0.00 175.52 175.36 1sjj h TYR 242 N 0.39 -0.58 -0.68 4.73 3.20 -1.07 -1.54 116.97 121.41 1sjj h TYR 242 Ca 0.08 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.02 1sjj h TYR 242 Cb 0.39 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.80 1sjj h TYR 242 CO 0.01 -0.26 0.45 -0.39 -1.64 0.00 0.00 178.16 176.34 1sjj h VAL 243 N -0.98 0.95 0.00 1.81 -1.51 -1.50 -2.20 116.25 112.82 1sjj h VAL 243 Ca -0.06 -0.21 -0.02 0.00 -1.23 0.00 0.00 66.70 65.18 1sjj h VAL 243 Cb 0.58 0.30 -0.00 0.00 -2.13 0.00 0.00 31.29 30.04 1sjj h VAL 243 CO 0.10 0.11 -0.10 0.77 -1.23 0.00 0.00 177.57 177.23 1sjj h SER 244 N 0.60 0.00 -0.21 4.19 4.64 -1.32 -2.67 113.55 118.79 1sjj h SER 244 Ca 0.31 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.50 1sjj h SER 244 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1sjj h SER 244 CO -0.10 0.10 -0.36 0.28 -0.87 0.00 0.00 176.83 175.88 1sjj h SER 245 N 0.00 0.67 0.00 4.97 0.02 -0.69 -3.23 113.55 115.30 1sjj h SER 245 Ca -0.00 -0.53 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 1sjj h SER 245 Cb 0.85 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1sjj h SER 245 CO 0.01 1.08 0.00 0.33 -1.14 0.00 0.00 176.83 177.11 1sjj n PHE 246 N -4.28 0.00 -0.00 3.45 -0.00 -0.91 -4.02 117.46 111.70 1sjj n PHE 246 Ca -0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.39 1sjj n PHE 246 Cb 0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 39.48 39.99 1sjj n PHE 246 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1sjj h TYR 247 N 0.00 -0.03 0.03 -5.13 3.20 -1.54 -3.41 116.97 110.10 1sjj h TYR 247 Ca 0.00 -0.00 -0.24 0.00 3.14 0.00 0.00 58.73 61.63 1sjj h TYR 247 Cb 0.00 0.01 0.01 0.00 1.54 0.00 0.00 36.73 38.28 1sjj h TYR 247 CO 0.00 -0.02 -1.01 1.12 -1.64 0.00 0.00 178.16 176.61 1sjj h HIS 248 N -0.29 0.64 -0.07 -3.82 2.07 -1.83 -3.29 115.15 108.57 1sjj h HIS 248 Ca -0.00 -0.37 -0.48 0.00 -2.85 0.00 0.00 60.37 56.66 1sjj h HIS 248 Cb 0.02 -0.07 0.07 0.00 2.57 0.00 0.00 27.41 30.01 1sjj h HIS 248 CO 0.01 1.21 1.39 0.00 -3.07 0.00 0.00 177.93 177.46 1sjj n ALA 249 N -2.55 1.57 -1.69 6.11 0.00 -1.26 -3.93 120.51 118.76 1sjj n ALA 249 Ca -0.08 -2.84 -0.01 0.00 0.00 0.00 0.00 53.44 50.52 1sjj n ALA 249 Cb 0.87 -3.62 0.00 0.00 0.00 0.00 0.00 19.45 16.71 1sjj n ALA 249 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1sjj n PHE 250 N 10.99 -0.56 -0.68 0.00 3.01 -1.26 -4.88 117.46 124.08 1sjj n PHE 250 Ca 0.47 0.24 0.00 0.00 1.01 0.00 0.00 57.45 59.16 1sjj n PHE 250 Cb 0.43 -1.88 0.00 0.00 -0.01 0.00 0.00 39.48 38.01 1sjj n PHE 250 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1sjj n SER 251 N -0.19 0.00 0.00 4.37 7.64 -1.24 -4.81 113.62 119.39 1sjj n SER 251 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1sjj n SER 251 Cb 0.04 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 1sjj n SER 251 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sjj n GLY 252 N -0.14 -0.18 3.57 0.23 0.00 -1.26 -4.97 105.19 102.44 1sjj n GLY 252 Ca 0.00 -0.24 -0.25 0.00 0.00 0.00 0.00 46.02 45.53 1sjj n GLY 252 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sjj s ALA 253 N 0.00 2.97 -0.16 4.61 0.00 -1.26 -4.44 121.76 123.48 1sjj s ALA 253 Ca 0.00 -1.63 -0.24 0.00 0.00 0.00 0.00 51.96 50.09 1sjj s ALA 253 Cb 0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 1sjj s ALA 253 CO 0.00 0.35 0.76 -0.65 0.00 0.00 0.00 175.76 176.22 1sjj s GLN 254 N -3.27 4.30 -0.16 0.00 -1.52 -1.26 -4.77 119.66 112.98 1sjj s GLN 254 Ca 0.28 0.90 0.11 0.00 -1.95 0.00 0.00 55.36 54.70 1sjj s GLN 254 Cb -0.07 -3.55 0.27 0.00 -0.22 0.00 0.00 33.01 29.44 1sjj s GLN 254 CO 0.17 -0.24 1.24 1.17 -0.25 0.00 0.00 175.29 177.38 1sjj n LYS 255 N 4.93 0.72 0.00 2.91 4.81 -1.26 -4.36 118.16 125.91 1sjj n LYS 255 Ca 0.02 -1.53 0.00 0.00 -0.87 0.00 0.00 58.31 55.93 1sjj n LYS 255 Cb 0.49 0.14 0.00 0.00 0.02 0.00 0.00 35.03 35.69 1sjj n LYS 255 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1sjj n ALA 256 N -0.58 0.00 -1.52 3.14 0.00 -1.26 -4.28 120.51 116.00 1sjj n ALA 256 Ca -0.15 -0.05 -0.46 0.00 0.00 0.00 0.00 53.44 52.77 1sjj n ALA 256 Cb 0.84 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.24 1sjj n ALA 256 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1sjj n GLU 257 N -1.89 1.42 0.23 0.00 -0.58 -1.26 -1.08 120.64 117.48 1sjj n GLU 257 Ca 0.00 0.36 0.09 0.00 -0.42 0.00 0.00 57.16 57.19 1sjj n GLU 257 Cb 0.00 -2.86 0.54 0.00 -0.57 0.00 0.00 31.44 28.55 1sjj n GLU 257 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 1sjj h THR 258 N 7.20 0.78 -3.13 2.62 1.35 -1.76 -3.46 112.91 116.52 1sjj h THR 258 Ca -0.32 -0.92 -0.63 0.00 -0.55 0.00 0.00 66.41 63.99 1sjj h THR 258 Cb 1.28 1.56 -0.12 0.00 -1.73 0.00 0.00 68.15 69.14 1sjj h THR 258 CO 1.02 0.22 -0.52 0.00 -0.25 0.00 0.00 175.52 175.99 1sjj s ALA 259 N -4.05 3.62 0.00 6.62 0.00 -0.24 -5.02 121.76 122.69 1sjj s ALA 259 Ca -0.02 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1sjj s ALA 259 Cb 0.13 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 21.25 1sjj s ALA 259 CO 0.64 0.30 0.00 0.00 0.00 0.00 0.00 175.76 176.70 1sjj n ALA 260 N 3.07 -0.14 -1.30 0.00 0.00 -1.26 -4.93 120.51 115.94 1sjj n ALA 260 Ca -0.17 0.00 -0.57 0.00 0.00 0.00 0.00 53.44 52.69 1sjj n ALA 260 Cb 0.53 -0.26 -0.11 0.00 0.00 0.00 0.00 19.45 19.61 1sjj n ALA 260 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1sjj n ASN 261 N -0.65 1.03 -2.80 0.00 4.05 -1.26 -4.38 115.26 111.24 1sjj n ASN 261 Ca 0.00 0.60 -0.03 0.00 0.45 0.00 0.00 54.58 55.60 1sjj n ASN 261 Cb 0.26 -0.98 0.00 0.00 1.23 0.00 0.00 39.78 40.29 1sjj n ASN 261 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 1sjj n ARG 262 N 7.69 -0.28 -2.55 1.20 0.63 -1.26 -4.95 116.66 117.14 1sjj n ARG 262 Ca 0.52 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 57.05 1sjj n ARG 262 Cb 0.02 -0.12 -0.05 0.00 0.45 0.00 0.00 32.46 32.77 1sjj n ARG 262 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1sjj s ILE 263 N -2.49 3.77 0.23 5.15 1.01 -1.26 -4.97 121.20 122.64 1sjj s ILE 263 Ca 0.01 1.67 0.09 0.00 0.00 0.00 0.00 60.65 62.42 1sjj s ILE 263 Cb -0.00 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 1sjj s ILE 263 CO 0.10 0.36 -0.02 0.00 0.00 0.00 0.00 174.94 175.37 1sjj n LYS 265 N -0.59 0.00 -4.14 0.00 4.76 -1.26 -3.93 118.16 113.00 1sjj n LYS 265 Ca -0.08 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.21 1sjj n LYS 265 Cb 0.58 0.00 -0.12 0.00 -1.84 0.00 0.00 35.03 33.64 1sjj n LYS 265 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1sjj s VAL 266 N 1.60 0.74 -0.35 -0.18 1.01 -1.26 -4.21 120.40 117.74 1sjj s VAL 266 Ca 0.00 -1.02 -0.19 0.00 0.00 0.00 0.00 61.98 60.78 1sjj s VAL 266 Cb 0.00 -0.74 -0.00 0.00 0.00 0.00 0.00 36.38 35.64 1sjj s VAL 266 CO 0.00 -0.23 0.56 -0.22 0.00 0.00 0.00 175.10 175.21 1sjj s LEU 267 N -1.37 4.33 0.00 3.92 1.98 -1.26 -3.29 118.68 122.98 1sjj s LEU 267 Ca -0.05 0.01 0.00 0.00 -2.89 0.00 0.00 54.13 51.20 1sjj s LEU 267 Cb -0.09 -2.65 0.00 0.00 0.66 0.00 0.00 46.19 44.11 1sjj s LEU 267 CO 0.01 -0.53 0.00 0.00 -1.89 0.00 0.00 176.35 173.94 1sjj n ALA 268 N 5.85 0.00 0.07 5.97 0.00 -1.26 -3.09 120.51 128.05 1sjj n ALA 268 Ca -0.04 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.43 1sjj n ALA 268 Cb 0.49 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.08 1sjj n ALA 268 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sjj n VAL 269 N 0.00 0.86 0.03 0.00 0.31 -1.21 -2.78 118.33 115.53 1sjj n VAL 269 Ca 0.00 0.61 -0.13 0.00 -0.01 0.00 0.00 64.34 64.80 1sjj n VAL 269 Cb 0.00 -1.61 -0.02 0.00 -0.91 0.00 0.00 33.84 31.30 1sjj n VAL 269 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1sjj h ASN 270 N 0.00 0.67 0.02 4.52 4.21 -1.92 -1.70 115.58 121.38 1sjj h ASN 270 Ca 0.00 -0.46 -0.14 0.00 1.21 0.00 0.00 56.30 56.91 1sjj h ASN 270 Cb 0.55 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.55 1sjj h ASN 270 CO 0.00 1.23 -0.47 1.56 -1.29 0.00 0.00 177.43 178.46 1sjj h GLN 271 N 0.37 0.52 0.70 0.81 1.08 -1.95 -2.08 115.11 114.56 1sjj h GLN 271 Ca -0.05 -0.29 -0.03 0.00 -1.45 0.00 0.00 58.65 56.82 1sjj h GLN 271 Cb 1.40 0.02 0.01 0.00 -0.05 0.00 0.00 27.48 28.85 1sjj h GLN 271 CO 0.15 0.88 -0.34 1.05 -0.95 0.00 0.00 178.83 179.62 1sjj h GLU 272 N 0.42 -0.90 0.02 1.46 9.09 -1.79 -3.36 114.58 119.51 1sjj h GLU 272 Ca 0.02 0.06 -0.21 0.00 0.05 0.00 0.00 59.36 59.28 1sjj h GLU 272 Cb 0.98 0.21 -0.01 0.00 -1.65 0.00 0.00 28.75 28.28 1sjj h GLU 272 CO 0.09 -0.60 -0.94 -0.97 0.05 0.00 0.00 179.01 176.63 1sjj h ASN 273 N -1.17 0.29 -0.00 3.06 -0.00 -0.65 -1.38 115.58 115.74 1sjj h ASN 273 Ca -0.10 -0.25 0.00 0.00 -0.00 0.00 0.00 56.30 55.95 1sjj h ASN 273 Cb 0.72 -0.09 0.00 0.00 -0.00 0.00 0.00 38.32 38.95 1sjj h ASN 273 CO 0.16 1.08 -0.03 -0.62 -0.00 0.00 0.00 177.43 178.01 1sjj n GLU 274 N -3.63 1.81 0.03 6.67 4.71 -0.86 -2.71 120.64 126.67 1sjj n GLU 274 Ca -0.04 -1.25 -0.11 0.00 -0.01 0.00 0.00 57.16 55.74 1sjj n GLU 274 Cb 0.85 -1.47 -0.13 0.00 -1.01 0.00 0.00 31.44 29.67 1sjj n GLU 274 CO 0.00 0.00 0.00 1.96 0.09 0.00 0.00 177.13 179.18 1sjj h GLN 275 N 3.05 0.09 -0.56 3.49 4.20 -1.53 -2.85 115.11 121.01 1sjj h GLN 275 Ca 0.00 -0.16 0.10 0.00 0.06 0.00 0.00 58.65 58.65 1sjj h GLN 275 Cb 0.67 0.06 -0.08 0.00 0.30 0.00 0.00 27.48 28.43 1sjj h GLN 275 CO 0.00 0.87 0.12 -0.07 -0.67 0.00 0.00 178.83 179.08 1sjj h LEU 276 N 0.03 0.01 -1.85 1.46 4.07 -1.07 0.24 115.31 118.20 1sjj h LEU 276 Ca -0.19 0.10 0.25 0.00 0.08 0.00 0.00 57.88 58.11 1sjj h LEU 276 Cb 1.94 0.14 -0.05 0.00 1.08 0.00 0.00 40.66 43.77 1sjj h LEU 276 CO 0.12 0.02 0.63 -0.03 -1.08 0.00 0.00 178.44 178.10 1sjj h MET 277 N 0.25 0.11 0.15 1.13 4.05 -1.64 -3.04 114.93 115.94 1sjj h MET 277 Ca 0.29 -0.01 -0.36 0.00 -0.28 0.00 0.00 59.70 59.34 1sjj h MET 277 Cb 0.41 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 1sjj h MET 277 CO -0.37 0.07 -1.90 1.49 0.23 0.00 0.00 176.91 176.43 1sjj h GLU 278 N 0.12 0.32 -0.25 0.39 4.22 -0.85 -3.34 114.58 115.18 1sjj h GLU 278 Ca 0.44 -0.54 0.06 0.00 0.08 0.00 0.00 59.36 59.40 1sjj h GLU 278 Cb 1.56 0.20 -0.06 0.00 0.50 0.00 0.00 28.75 30.95 1sjj h GLU 278 CO -0.06 1.26 -0.16 0.22 -2.18 0.00 0.00 179.01 178.09 1sjj h ASP 279 N 0.08 -0.52 -0.62 1.04 3.58 -0.55 0.21 116.42 119.64 1sjj h ASP 279 Ca -0.39 0.11 0.12 0.00 0.42 0.00 0.00 57.03 57.29 1sjj h ASP 279 Cb 2.06 0.27 -0.09 0.00 1.72 0.00 0.00 39.33 43.29 1sjj h ASP 279 CO 0.12 -0.20 0.13 0.22 -2.88 0.00 0.00 179.24 176.64 1sjj h TYR 280 N -0.14 0.21 0.62 0.28 5.03 -1.74 0.47 116.97 121.68 1sjj h TYR 280 Ca 0.14 0.04 -0.03 0.00 2.58 0.00 0.00 58.73 61.46 1sjj h TYR 280 Cb 0.35 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.63 1sjj h TYR 280 CO -0.33 -0.04 -0.34 0.93 -1.32 0.00 0.00 178.16 177.05 1sjj h GLU 281 N 0.26 -0.86 -0.31 1.82 4.39 -1.16 -1.00 114.58 117.71 1sjj h GLU 281 Ca 0.33 0.06 0.06 0.00 0.34 0.00 0.00 59.36 60.14 1sjj h GLU 281 Cb 0.50 0.19 -0.08 0.00 -0.10 0.00 0.00 28.75 29.27 1sjj h GLU 281 CO -0.42 -0.57 -0.47 -0.22 -1.16 0.00 0.00 179.01 176.17 1sjj h LYS 282 N -0.89 -0.40 0.08 2.33 3.64 -1.07 -1.94 116.57 118.33 1sjj h LYS 282 Ca -0.08 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1sjj h LYS 282 Cb 0.70 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 1sjj h LYS 282 CO 0.11 -0.26 -0.07 1.25 -2.27 0.00 0.00 179.45 178.20 1sjj h LEU 283 N -0.41 -0.17 -2.04 5.20 5.85 -0.96 -1.72 115.31 121.06 1sjj h LEU 283 Ca 0.10 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.86 1sjj h LEU 283 Cb 0.61 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 1sjj h LEU 283 CO -0.52 -0.11 0.07 0.00 -0.34 0.00 0.00 178.44 177.54 1sjj h ALA 284 N 0.76 2.05 -0.79 1.25 0.00 -1.20 -2.27 119.26 119.07 1sjj h ALA 284 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1sjj h ALA 284 Cb 0.15 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1sjj h ALA 284 CO -0.01 -0.13 0.43 0.77 0.00 0.00 0.00 179.25 180.32 1sjj h SER 285 N 0.00 0.98 -0.15 0.00 0.02 -0.48 -1.34 113.55 112.58 1sjj h SER 285 Ca 0.05 -0.10 -0.20 0.00 -0.84 0.00 0.00 61.79 60.70 1sjj h SER 285 Cb 0.19 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 62.49 1sjj h SER 285 CO -0.00 0.79 -0.68 0.44 -1.14 0.00 0.00 176.83 176.24 1sjj h ASP 286 N 1.09 0.86 -0.68 3.07 3.32 -1.30 0.24 116.42 123.01 1sjj h ASP 286 Ca 0.28 -0.62 -0.06 0.00 0.02 0.00 0.00 57.03 56.64 1sjj h ASP 286 Cb 0.03 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 1sjj h ASP 286 CO -0.05 1.34 0.19 0.25 -1.72 0.00 0.00 179.24 179.25 1sjj h LEU 287 N 0.43 1.01 -0.34 1.55 5.85 -1.43 0.16 115.31 122.54 1sjj h LEU 287 Ca -0.04 -0.22 -0.12 0.00 0.84 0.00 0.00 57.88 58.34 1sjj h LEU 287 Cb 1.31 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 1sjj h LEU 287 CO 0.14 0.97 -0.56 -0.07 -0.34 0.00 0.00 178.44 178.58 1sjj h LEU 288 N 1.01 0.00 0.58 2.25 3.38 -1.31 -2.80 115.31 118.42 1sjj h LEU 288 Ca 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 1sjj h LEU 288 Cb 0.34 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.10 1sjj h LEU 288 CO -0.00 0.56 -0.28 -0.08 0.09 0.00 0.00 178.44 178.73 1sjj h GLU 289 N 0.00 -0.75 -0.30 1.13 4.22 -0.54 -3.01 114.58 115.33 1sjj h GLU 289 Ca -0.01 0.05 0.05 0.00 0.08 0.00 0.00 59.36 59.54 1sjj h GLU 289 Cb 1.29 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 30.66 1sjj h GLU 289 CO 0.07 -0.47 0.01 2.35 -2.18 0.00 0.00 179.01 178.80 1sjj h TRP 290 N -0.87 0.01 0.00 0.92 7.01 -0.68 -2.07 115.95 120.27 1sjj h TRP 290 Ca -0.08 0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.94 1sjj h TRP 290 Cb 0.63 0.04 0.00 0.00 -2.10 0.00 0.00 29.16 27.73 1sjj h TRP 290 CO -0.02 -0.04 0.00 -0.84 -2.79 0.00 0.00 178.44 174.76 1sjj h ILE 291 N 0.10 0.00 0.00 2.65 3.07 -1.63 -1.50 117.51 120.20 1sjj h ILE 291 Ca 0.14 -0.66 -0.03 0.00 1.55 0.00 0.00 64.86 65.87 1sjj h ILE 291 Cb 0.18 1.63 -0.00 0.00 -0.27 0.00 0.00 36.82 38.36 1sjj h ILE 291 CO -0.23 0.00 -0.13 -0.09 -1.05 0.00 0.00 178.15 176.65 1sjj h ARG 292 N 0.00 0.00 0.01 0.16 2.43 -1.34 -3.10 114.38 112.54 1sjj h ARG 292 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1sjj h ARG 292 Cb 0.76 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 1sjj h ARG 292 CO 0.00 0.13 -0.01 -0.09 -1.51 0.00 0.00 179.97 178.49 1sjj h ARG 293 N 0.00 -0.01 -0.11 0.20 2.43 -1.17 -3.41 114.38 112.31 1sjj h ARG 293 Ca -0.00 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.98 1sjj h ARG 293 Cb 1.06 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1sjj h ARG 293 CO 0.02 0.62 -0.71 1.15 -1.51 0.00 0.00 179.97 179.54 1sjj h THR 294 N -0.98 1.35 -1.00 0.20 2.02 -1.37 -3.37 112.91 109.77 1sjj h THR 294 Ca -0.00 -2.05 0.25 0.00 0.77 0.00 0.00 66.41 65.37 1sjj h THR 294 Cb 0.64 2.03 -0.13 0.00 -1.74 0.00 0.00 68.15 68.96 1sjj h THR 294 CO 0.00 0.63 0.58 0.40 0.37 0.00 0.00 175.52 177.50 1sjj h ILE 295 N 0.34 0.51 0.00 3.11 2.04 -1.78 0.41 117.51 122.15 1sjj h ILE 295 Ca -0.03 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1sjj h ILE 295 Cb 1.29 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1sjj h ILE 295 CO 0.13 0.10 0.00 -0.81 0.00 0.00 0.00 178.15 177.57 1sjj n PRO 296 N -4.91 0.64 -0.00 2.37 -0.04 -1.26 -1.05 135.00 130.75 1sjj n PRO 296 Ca 0.27 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.81 1sjj n PRO 296 Cb 0.76 -1.24 -0.10 0.00 -0.04 0.00 0.00 33.50 32.89 1sjj n PRO 296 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 1sjj n TRP 297 N -0.74 0.00 -2.29 0.54 -0.00 0.12 -4.75 117.44 110.32 1sjj n TRP 297 Ca 0.07 0.00 -0.18 0.00 -0.00 0.00 0.00 57.50 57.39 1sjj n TRP 297 Cb 0.03 -0.05 0.10 0.00 -0.00 0.00 0.00 31.31 31.39 1sjj n TRP 297 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 1sjj n LEU 298 N -1.47 0.00 0.00 5.87 4.77 -0.22 -4.52 117.00 121.43 1sjj n LEU 298 Ca 0.02 -1.41 0.00 0.00 -0.03 0.00 0.00 56.01 54.59 1sjj n LEU 298 Cb 0.27 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1sjj n LEU 298 CO 0.33 -0.95 0.00 -0.62 -1.33 0.00 0.00 177.39 174.82 1sjj n GLU 299 N -2.53 0.00 0.00 3.23 -0.58 -1.13 -4.86 120.64 114.77 1sjj n GLU 299 Ca 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 1sjj n GLU 299 Cb 0.43 -0.03 0.00 0.00 -0.57 0.00 0.00 31.44 31.27 1sjj n GLU 299 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1sjj n ASN 300 N 0.83 0.00 -2.84 1.62 5.15 -1.26 -4.92 115.26 113.84 1sjj n ASN 300 Ca 0.00 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 53.91 1sjj n ASN 300 Cb 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.26 1sjj n ASN 300 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1sjj n ARG 301 N -0.55 -2.57 -3.41 1.20 1.74 -1.26 -5.06 116.66 106.76 1sjj n ARG 301 Ca 0.00 2.23 -0.14 0.00 -0.77 0.00 0.00 57.85 59.18 1sjj n ARG 301 Cb 0.00 -5.58 -0.10 0.00 -1.02 0.00 0.00 32.46 25.77 1sjj n ARG 301 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sjj s ALA 302 N -2.42 -0.71 0.65 7.54 0.00 -1.26 -5.15 121.76 120.40 1sjj s ALA 302 Ca 0.21 0.45 -0.13 0.00 0.00 0.00 0.00 51.96 52.49 1sjj s ALA 302 Cb -0.06 -1.59 -0.01 0.00 0.00 0.00 0.00 23.12 21.46 1sjj s ALA 302 CO 0.77 -1.34 1.06 -1.25 0.00 0.00 0.00 175.76 175.00 1sjj s PRO 303 N 2.44 3.09 0.46 0.00 0.04 -1.26 -5.09 135.00 134.69 1sjj s PRO 303 Ca 0.10 1.05 0.04 0.00 0.04 0.00 0.00 61.00 62.23 1sjj s PRO 303 Cb -0.15 -2.01 0.04 0.00 0.04 0.00 0.00 34.50 32.42 1sjj s PRO 303 CO -0.18 -0.98 0.35 -1.91 0.04 0.00 0.00 177.00 174.32 1sjj n GLU 304 N -2.69 0.80 0.16 4.56 0.00 -1.26 -5.05 120.64 117.16 1sjj n GLU 304 Ca 0.08 -2.91 0.07 0.00 0.00 0.00 0.00 57.16 54.40 1sjj n GLU 304 Cb 0.53 0.31 0.07 0.00 0.00 0.00 0.00 31.44 32.35 1sjj n GLU 304 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1sjj h ASN 305 N 0.55 0.00 -3.16 4.31 2.35 -1.98 -3.47 115.58 114.19 1sjj h ASN 305 Ca -0.29 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 54.96 1sjj h ASN 305 Cb 1.08 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.29 1sjj h ASN 305 CO 0.46 0.26 -0.75 0.42 -1.65 0.00 0.00 177.43 176.17 1sjj s THR 306 N -3.10 1.88 0.30 2.81 -4.23 -1.26 -5.03 115.64 107.02 1sjj s THR 306 Ca 0.04 -2.15 0.29 0.00 -1.18 0.00 0.00 61.69 58.70 1sjj s THR 306 Cb 0.07 -2.02 0.31 0.00 1.34 0.00 0.00 72.50 72.20 1sjj s THR 306 CO 0.72 -0.47 2.02 -0.03 -0.54 0.00 0.00 174.62 176.32 1sjj h MET 307 N 2.74 0.00 -0.19 3.99 4.05 -1.93 -2.59 114.93 121.01 1sjj h MET 307 Ca -0.40 0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 58.86 1sjj h MET 307 Cb 1.22 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.03 1sjj h MET 307 CO 0.58 0.11 -0.51 0.37 0.23 0.00 0.00 176.91 177.69 1sjj h GLN 308 N 0.00 0.67 -0.15 0.39 -0.00 -1.99 -2.90 115.11 111.13 1sjj h GLN 308 Ca -0.00 -0.48 -0.13 0.00 -0.00 0.00 0.00 58.65 58.04 1sjj h GLN 308 Cb 0.45 0.08 -0.01 0.00 0.00 0.00 0.00 27.48 28.00 1sjj h GLN 308 CO 0.01 1.10 -0.47 0.00 0.00 0.00 0.00 178.83 179.47 1sjj h ALA 309 N 0.58 0.92 -0.71 3.38 0.00 -1.97 -1.24 119.26 120.21 1sjj h ALA 309 Ca -0.01 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.39 1sjj h ALA 309 Cb 1.13 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1sjj h ALA 309 CO 0.11 0.65 0.25 1.98 0.00 0.00 0.00 179.25 182.24 1sjj h MET 310 N 0.31 1.09 0.00 0.00 1.85 -1.51 0.99 114.93 117.66 1sjj h MET 310 Ca 0.02 -0.22 -0.12 0.00 -0.61 0.00 0.00 59.70 58.77 1sjj h MET 310 Cb 0.94 -0.17 -0.02 0.00 0.43 0.00 0.00 31.60 32.79 1sjj h MET 310 CO 0.08 0.92 -0.59 1.96 -0.40 0.00 0.00 176.91 178.88 1sjj h GLN 311 N 1.04 0.00 -0.66 0.39 1.08 -1.46 -1.05 115.11 114.44 1sjj h GLN 311 Ca 0.23 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.40 1sjj h GLN 311 Cb 0.26 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.66 1sjj h GLN 311 CO -0.01 0.59 0.28 0.37 -0.95 0.00 0.00 178.83 179.11 1sjj h GLN 312 N 0.00 0.98 -0.32 1.46 -0.00 -0.94 0.15 115.11 116.44 1sjj h GLN 312 Ca -0.01 -0.17 -0.05 0.00 -0.00 0.00 0.00 58.65 58.42 1sjj h GLN 312 Cb 1.10 -0.16 -0.02 0.00 0.00 0.00 0.00 27.48 28.40 1sjj h GLN 312 CO 0.08 0.81 -0.03 -0.22 0.00 0.00 0.00 178.83 179.47 1sjj h LYS 313 N 0.93 0.51 0.44 1.69 1.63 -0.56 0.26 116.57 121.47 1sjj h LYS 313 Ca 0.22 -0.12 -0.02 0.00 -0.85 0.00 0.00 60.65 59.89 1sjj h LYS 313 Cb 0.19 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1sjj h LYS 313 CO -0.02 0.56 -0.24 1.25 -3.45 0.00 0.00 179.45 177.55 1sjj h LEU 314 N 0.48 -0.58 -0.48 5.20 6.46 -1.05 -2.39 115.31 122.97 1sjj h LEU 314 Ca 0.10 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.91 1sjj h LEU 314 Cb 0.36 0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.42 1sjj h LEU 314 CO 0.01 -0.39 0.29 -0.08 -0.62 0.00 0.00 178.44 177.66 1sjj h GLU 315 N -0.63 0.57 0.00 1.25 4.22 0.33 -0.61 114.58 119.71 1sjj h GLU 315 Ca -0.05 -0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.35 1sjj h GLU 315 Cb 0.50 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1sjj h GLU 315 CO 0.08 0.38 -0.01 0.22 -2.18 0.00 0.00 179.01 177.50 1sjj h ASP 316 N 0.59 0.00 1.47 1.04 3.58 -0.62 0.01 116.42 122.48 1sjj h ASP 316 Ca 0.19 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.58 1sjj h ASP 316 Cb -0.01 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 1sjj h ASP 316 CO -0.07 0.01 -0.55 0.15 -2.88 0.00 0.00 179.24 175.89 1sjj h PHE 317 N 0.00 0.00 0.05 0.28 3.57 -0.62 -3.19 116.94 117.03 1sjj h PHE 317 Ca -0.00 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.21 1sjj h PHE 317 Cb 0.02 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 1sjj h PHE 317 CO 0.00 0.22 -1.60 0.00 -2.23 0.00 0.00 178.31 174.70 1sjj h ARG 318 N 0.00 0.10 0.00 1.11 3.08 0.40 0.11 114.38 119.18 1sjj h ARG 318 Ca -0.02 -0.18 -0.12 0.00 0.07 0.00 0.00 59.98 59.73 1sjj h ARG 318 Cb 1.19 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.29 1sjj h ARG 318 CO 0.03 0.83 -0.56 -0.44 -1.07 0.00 0.00 179.97 178.76 1sjj h ASP 319 N 0.03 0.00 0.43 7.04 3.32 -1.56 0.37 116.42 126.05 1sjj h ASP 319 Ca -0.25 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.78 1sjj h ASP 319 Cb 1.98 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.53 1sjj h ASP 319 CO 0.11 0.56 -0.26 0.22 -1.72 0.00 0.00 179.24 178.15 1sjj h TYR 320 N 0.00 -0.67 0.06 4.55 3.20 -1.58 -1.81 116.97 120.72 1sjj h TYR 320 Ca -0.01 -0.01 -0.22 0.00 3.14 0.00 0.00 58.73 61.64 1sjj h TYR 320 Cb 1.25 0.24 0.02 0.00 1.54 0.00 0.00 36.73 39.78 1sjj h TYR 320 CO 0.00 -0.40 -0.90 0.00 -1.64 0.00 0.00 178.16 175.23 1sjj h ARG 321 N -0.65 0.50 0.01 1.82 2.47 -0.70 -1.06 114.38 116.78 1sjj h ARG 321 Ca -0.05 -0.62 -0.23 0.00 -1.26 0.00 0.00 59.98 57.82 1sjj h ARG 321 Cb 0.53 0.20 0.01 0.00 -1.65 0.00 0.00 29.97 29.05 1sjj h ARG 321 CO 0.05 1.25 -0.98 -0.09 0.56 0.00 0.00 179.97 180.76 1sjj h ARG 322 N 0.03 0.43 0.00 0.04 2.43 -0.40 -3.38 114.38 113.53 1sjj h ARG 322 Ca -0.13 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 58.56 1sjj h ARG 322 Cb 1.61 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 31.30 1sjj h ARG 322 CO 0.17 1.14 0.00 1.47 -1.51 0.00 0.00 179.97 181.24 1sjj n LEU 323 N -3.74 0.00 0.03 3.80 -0.00 -1.22 -4.72 117.00 111.15 1sjj n LEU 323 Ca -0.07 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.82 1sjj n LEU 323 Cb 0.86 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 44.19 1sjj n LEU 323 CO 0.52 0.00 0.48 0.45 -0.00 0.00 0.00 177.39 178.84 1sjj h HIS 324 N 0.00 -0.14 0.31 1.47 3.86 -1.37 -3.42 115.15 115.85 1sjj h HIS 324 Ca 0.00 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1sjj h HIS 324 Cb 0.02 0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.54 1sjj h HIS 324 CO 0.00 0.34 -0.15 -0.22 0.86 0.00 0.00 177.93 178.76 1sjj h LYS 325 N -0.76 -0.40 -0.93 2.45 3.64 -1.36 -3.40 116.57 115.81 1sjj h LYS 325 Ca -0.02 0.03 0.15 0.00 -1.27 0.00 0.00 60.65 59.55 1sjj h LYS 325 Cb 0.55 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.38 1sjj h LYS 325 CO 0.03 -0.06 0.60 -1.35 -2.27 0.00 0.00 179.45 176.39 1sjj h PRO 326 N -0.81 0.71 0.00 1.90 0.11 -1.82 0.64 132.00 132.73 1sjj h PRO 326 Ca -0.04 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1sjj h PRO 326 Cb 0.52 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.47 1sjj h PRO 326 CO 0.07 0.47 0.00 -0.35 -0.21 0.00 0.00 178.00 177.98 1sjj n PRO 327 N -4.60 0.03 0.03 1.05 -0.04 -1.26 -1.82 135.00 128.39 1sjj n PRO 327 Ca 0.19 0.32 -0.05 0.00 -0.04 0.00 0.00 63.50 63.92 1sjj n PRO 327 Cb 0.49 -1.57 -0.10 0.00 -0.04 0.00 0.00 33.50 32.28 1sjj n PRO 327 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1sjj h LYS 328 N 0.00 0.00 -0.40 0.54 1.79 -1.11 0.35 116.57 117.73 1sjj h LYS 328 Ca 0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 1sjj h LYS 328 Cb 0.23 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.86 1sjj h LYS 328 CO 0.00 0.52 0.13 0.28 -1.08 0.00 0.00 179.45 179.30 1sjj h VAL 329 N 0.00 1.17 0.07 0.50 2.07 -1.31 -2.35 116.25 116.40 1sjj h VAL 329 Ca -0.17 -0.56 -0.26 0.00 0.82 0.00 0.00 66.70 66.53 1sjj h VAL 329 Cb 1.78 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1sjj h VAL 329 CO 0.08 0.21 -1.35 -0.61 0.02 0.00 0.00 177.57 175.92 1sjj h GLN 330 N 0.58 0.15 -0.95 1.57 -0.00 -1.52 -3.42 115.11 111.52 1sjj h GLN 330 Ca 0.14 -0.26 0.09 0.00 -0.00 0.00 0.00 58.65 58.62 1sjj h GLN 330 Cb 0.17 0.10 -0.08 0.00 0.00 0.00 0.00 27.48 27.67 1sjj h GLN 330 CO -0.01 1.13 0.59 1.49 0.00 0.00 0.00 178.83 182.03 1sjj h GLU 331 N -0.51 0.97 0.00 1.69 4.81 -0.22 -2.16 114.58 119.15 1sjj h GLU 331 Ca -0.31 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1sjj h GLU 331 Cb 1.61 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.77 1sjj h GLU 331 CO -0.02 0.64 0.00 1.17 -0.73 0.00 0.00 179.01 180.07 1sjj n LYS 332 N -4.62 0.12 -0.02 1.92 4.81 -0.89 -0.59 118.16 118.89 1sjj n LYS 332 Ca 0.16 0.59 -0.15 0.00 -0.87 0.00 0.00 58.31 58.04 1sjj n LYS 332 Cb 0.27 -1.88 -0.14 0.00 0.02 0.00 0.00 35.03 33.31 1sjj n LYS 332 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1sjj h GLN 334 N 0.03 0.58 -4.81 0.00 -0.00 -0.72 0.20 115.11 110.39 1sjj h GLN 334 Ca -0.39 -0.16 -0.58 0.00 -0.00 0.00 0.00 58.65 57.53 1sjj h GLN 334 Cb 2.03 -0.07 0.00 0.00 0.00 0.00 0.00 27.48 29.45 1sjj h GLN 334 CO 0.07 0.65 2.08 -0.11 0.00 0.00 0.00 178.83 181.52 1sjj n LEU 335 N -4.58 4.29 0.00 -2.39 7.94 -0.12 -0.79 117.00 121.36 1sjj n LEU 335 Ca -0.01 -3.24 0.00 0.00 -1.11 0.00 0.00 56.01 51.64 1sjj n LEU 335 Cb 0.22 -1.42 0.00 0.00 0.53 0.00 0.00 43.42 42.75 1sjj n LEU 335 CO 0.38 -0.50 0.00 1.21 -1.11 0.00 0.00 177.39 177.37 1sjj n GLU 336 N 7.36 0.00 -0.07 1.96 0.00 -0.92 -4.80 120.64 124.17 1sjj n GLU 336 Ca 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 57.64 1sjj n GLU 336 Cb 0.42 0.00 0.26 0.00 0.00 0.00 0.00 31.44 32.12 1sjj n GLU 336 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1sjj h ILE 337 N 0.00 1.20 0.00 6.31 2.04 -0.55 0.00 117.51 126.51 1sjj h ILE 337 Ca 0.00 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.13 1sjj h ILE 337 Cb 0.00 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1sjj h ILE 337 CO 0.00 0.27 0.00 0.59 0.00 0.00 0.00 178.15 179.01 1sjj n ASN 338 N -4.30 0.22 -0.88 1.72 3.02 0.03 -0.90 115.26 114.17 1sjj n ASN 338 Ca 0.03 0.60 0.07 0.00 -0.03 0.00 0.00 54.58 55.25 1sjj n ASN 338 Cb 0.21 -0.63 0.22 0.00 -0.61 0.00 0.00 39.78 38.97 1sjj n ASN 338 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1sjj n PHE 339 N -1.80 0.76 0.00 3.10 7.35 -0.04 -3.53 117.46 123.30 1sjj n PHE 339 Ca -0.01 -0.61 0.00 0.00 -0.76 0.00 0.00 57.45 56.08 1sjj n PHE 339 Cb 0.01 -0.13 0.00 0.00 0.35 0.00 0.00 39.48 39.72 1sjj n PHE 339 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1sjj n ASN 340 N 0.41 0.00 0.00 -2.13 4.13 -0.08 -4.51 115.26 113.09 1sjj n ASN 340 Ca 0.17 0.03 0.00 0.00 1.68 0.00 0.00 54.58 56.46 1sjj n ASN 340 Cb 0.62 -0.09 0.00 0.00 -1.54 0.00 0.00 39.78 38.76 1sjj n ASN 340 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1sjj n THR 341 N -1.42 0.00 -0.34 3.41 -1.04 -0.96 -1.91 114.28 112.02 1sjj n THR 341 Ca 0.00 0.75 0.11 0.00 -2.04 0.00 0.00 64.05 62.88 1sjj n THR 341 Cb 0.00 -1.10 0.29 0.00 -1.82 0.00 0.00 70.33 67.70 1sjj n THR 341 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1sjj h LEU 342 N 0.00 0.73 -2.67 -4.42 7.12 -1.82 0.14 115.31 114.39 1sjj h LEU 342 Ca 0.00 0.09 0.00 0.00 0.13 0.00 0.00 57.88 58.11 1sjj h LEU 342 Cb 0.00 -0.03 -0.00 0.00 -0.53 0.00 0.00 40.66 40.10 1sjj h LEU 342 CO 0.00 0.27 0.02 1.56 -0.13 0.00 0.00 178.44 180.16 1sjj h GLN 343 N 0.74 0.00 0.00 1.25 1.08 -1.59 0.36 115.11 116.96 1sjj h GLN 343 Ca 0.55 0.00 -0.28 0.00 -1.45 0.00 0.00 58.65 57.47 1sjj h GLN 343 Cb 0.82 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.20 1sjj h GLN 343 CO -0.38 0.00 -2.06 2.41 -0.95 0.00 0.00 178.83 177.85 1sjj n THR 344 N -3.49 1.07 0.30 -0.54 -1.04 -0.77 -4.24 114.28 105.57 1sjj n THR 344 Ca -0.03 -0.55 -0.17 0.00 -2.04 0.00 0.00 64.05 61.26 1sjj n THR 344 Cb 0.10 -0.84 -0.09 0.00 -1.82 0.00 0.00 70.33 67.68 1sjj n THR 344 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1sjj h LYS 345 N 0.00 -0.87 -5.56 -2.82 3.64 -0.42 0.15 116.57 110.69 1sjj h LYS 345 Ca -0.42 0.06 -0.51 0.00 -1.27 0.00 0.00 60.65 58.51 1sjj h LYS 345 Cb 1.82 0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 33.79 1sjj h LYS 345 CO -0.01 -0.58 1.67 1.28 -2.27 0.00 0.00 179.45 179.54 1sjj n LEU 346 N -5.52 4.04 0.00 5.20 4.77 0.12 -2.92 117.00 122.69 1sjj n LEU 346 Ca -0.12 -3.53 0.00 0.00 -0.03 0.00 0.00 56.01 52.34 1sjj n LEU 346 Cb 0.41 -1.72 0.00 0.00 -2.33 0.00 0.00 43.42 39.78 1sjj n LEU 346 CO 0.31 -0.83 0.00 -1.14 -1.33 0.00 0.00 177.39 174.41 1sjj n ARG 347 N 8.23 0.00 -2.08 3.23 0.63 -0.87 -4.21 116.66 121.58 1sjj n ARG 347 Ca 0.47 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 57.12 1sjj n ARG 347 Cb 0.46 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.31 1sjj n ARG 347 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 1sjj s LEU 348 N -2.87 3.10 0.00 6.15 0.05 0.48 -2.69 118.68 122.91 1sjj s LEU 348 Ca 0.00 -1.44 0.00 0.00 0.05 0.00 0.00 54.13 52.74 1sjj s LEU 348 Cb 0.00 -2.58 0.00 0.00 -2.05 0.00 0.00 46.19 41.56 1sjj s LEU 348 CO 0.00 -2.93 0.00 -1.54 -0.55 0.00 0.00 176.35 171.33 1sjj n SER 349 N 14.07 0.00 -0.80 1.48 3.41 -1.26 -4.87 113.62 125.65 1sjj n SER 349 Ca 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 1sjj n SER 349 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1sjj n SER 349 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1sjj n ASN 350 N 0.00 -1.07 -3.61 4.04 3.02 -1.10 -4.70 115.26 111.84 1sjj n ASN 350 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.52 1sjj n ASN 350 Cb 0.00 -0.40 -0.06 0.00 -0.61 0.00 0.00 39.78 38.71 1sjj n ASN 350 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sjj s ARG 351 N -2.53 0.53 0.05 3.52 3.03 -1.24 -2.58 118.95 119.72 1sjj s ARG 351 Ca 0.00 1.03 -0.30 0.00 2.03 0.00 0.00 55.73 58.49 1sjj s ARG 351 Cb 0.00 0.30 -0.08 0.00 -1.03 0.00 0.00 34.95 34.13 1sjj s ARG 351 CO 0.00 -0.13 1.78 -1.25 -1.13 0.00 0.00 175.30 174.57 1sjj s PRO 352 N 1.89 4.16 1.20 3.89 0.04 -0.98 -4.35 135.00 140.86 1sjj s PRO 352 Ca -0.08 2.45 -0.16 0.00 0.04 0.00 0.00 61.00 63.25 1sjj s PRO 352 Cb -0.06 -3.83 0.29 0.00 0.04 0.00 0.00 34.50 30.94 1sjj s PRO 352 CO -0.18 -0.84 1.03 0.00 0.04 0.00 0.00 177.00 177.04 1sjj s ALA 353 N 3.44 -0.19 0.70 8.56 0.00 -1.26 -4.81 121.76 128.20 1sjj s ALA 353 Ca 0.80 -0.46 -0.06 0.00 0.00 0.00 0.00 51.96 52.24 1sjj s ALA 353 Cb -0.41 -3.10 0.09 0.00 0.00 0.00 0.00 23.12 19.71 1sjj s ALA 353 CO 0.35 -3.83 0.21 1.97 0.00 0.00 0.00 175.76 174.47 1sjj n PHE 354 N -4.94 -1.71 -4.55 0.00 -1.74 -1.26 -4.89 117.46 98.38 1sjj n PHE 354 Ca 0.06 0.05 -0.26 0.00 -0.56 0.00 0.00 57.45 56.75 1sjj n PHE 354 Cb 0.57 -0.82 -0.11 0.00 1.52 0.00 0.00 39.48 40.64 1sjj n PHE 354 CO 0.00 0.00 0.00 1.41 -0.56 0.00 0.00 176.76 177.61 1sjj s MET 355 N -2.44 1.81 0.20 3.97 1.75 -1.26 -4.87 119.30 118.47 1sjj s MET 355 Ca 0.16 -1.96 -0.03 0.00 -1.25 0.00 0.00 55.69 52.61 1sjj s MET 355 Cb -0.03 -1.60 0.05 0.00 2.84 0.00 0.00 34.83 36.09 1sjj s MET 355 CO 0.14 0.08 0.15 -0.35 -0.65 0.00 0.00 175.02 174.38 1sjj n PRO 356 N -0.81 -1.84 -1.78 4.11 -0.04 -1.26 -4.80 135.00 128.58 1sjj n PRO 356 Ca -0.05 -0.24 -0.38 0.00 -0.04 0.00 0.00 63.50 62.78 1sjj n PRO 356 Cb 0.64 -0.26 -0.04 0.00 -0.04 0.00 0.00 33.50 33.80 1sjj n PRO 356 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1sjj n SER 357 N -3.35 3.33 0.00 3.54 7.64 -1.26 -4.87 113.62 118.65 1sjj n SER 357 Ca 0.02 -2.75 0.00 0.00 1.01 0.00 0.00 58.87 57.15 1sjj n SER 357 Cb 0.09 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 61.78 1sjj n SER 357 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1sjj n GLU 358 N 7.51 0.00 0.22 1.43 0.00 -1.26 -1.52 120.64 127.02 1sjj n GLU 358 Ca 0.48 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.77 1sjj n GLU 358 Cb 0.43 0.00 0.69 0.00 0.00 0.00 0.00 31.44 32.56 1sjj n GLU 358 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1sjj h GLY 359 N 0.00 0.00 -6.13 8.31 0.00 -2.03 -1.51 103.07 101.71 1sjj h GLY 359 Ca 0.00 0.00 -0.74 0.00 0.00 0.00 0.00 47.33 46.59 1sjj h GLY 359 CO 0.00 0.00 2.46 0.28 0.00 0.00 0.00 176.54 179.28 1sjj n LYS 360 N -2.46 3.60 -2.80 4.80 5.02 -0.58 -5.01 118.16 120.73 1sjj n LYS 360 Ca -0.02 -3.22 -0.41 0.00 -2.02 0.00 0.00 58.31 52.64 1sjj n LYS 360 Cb 0.16 -2.95 -0.03 0.00 -0.02 0.00 0.00 35.03 32.18 1sjj n LYS 360 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1sjj s MET 361 N 0.90 4.51 0.16 1.97 1.75 -0.57 -4.66 119.30 123.36 1sjj s MET 361 Ca 0.45 1.26 -0.27 0.00 -1.25 0.00 0.00 55.69 55.89 1sjj s MET 361 Cb 0.12 -3.46 0.00 0.00 2.84 0.00 0.00 34.83 34.33 1sjj s MET 361 CO -0.03 -0.04 1.57 0.28 -0.65 0.00 0.00 175.02 176.14 1sjj h VAL 362 N 4.82 0.08 -1.26 10.11 2.07 -1.95 -2.47 116.25 127.64 1sjj h VAL 362 Ca -0.40 0.00 -0.57 0.00 0.82 0.00 0.00 66.70 66.55 1sjj h VAL 362 Cb 1.21 0.08 -0.19 0.00 -1.52 0.00 0.00 31.29 30.86 1sjj h VAL 362 CO 0.76 0.00 0.65 -0.24 0.02 0.00 0.00 177.57 178.76 1sjj n SER 363 N -5.40 6.78 0.00 0.57 2.88 -1.26 -2.81 113.62 114.37 1sjj n SER 363 Ca 0.00 -3.32 0.00 0.00 -1.33 0.00 0.00 58.87 54.22 1sjj n SER 363 Cb 0.35 -1.21 0.00 0.00 -0.75 0.00 0.00 64.21 62.60 1sjj n SER 363 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1sjj n ASP 364 N 0.66 0.00 0.32 -3.46 4.64 -0.95 -4.74 116.55 113.03 1sjj n ASP 364 Ca 0.51 0.00 0.15 0.00 -1.38 0.00 0.00 54.79 54.07 1sjj n ASP 364 Cb 0.47 0.00 0.82 0.00 -1.04 0.00 0.00 41.12 41.37 1sjj n ASP 364 CO 0.00 0.00 0.00 0.40 -0.82 0.00 0.00 177.20 176.78 1sjj h ILE 365 N 0.00 0.00 0.14 5.18 2.04 -1.36 0.24 117.51 123.75 1sjj h ILE 365 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1sjj h ILE 365 Cb 0.00 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1sjj h ILE 365 CO 0.00 0.00 -0.07 -0.55 0.00 0.00 0.00 178.15 177.53 1sjj h ASN 366 N 0.00 -0.16 -0.70 1.72 -0.00 -1.85 -3.18 115.58 111.41 1sjj h ASN 366 Ca 0.00 -0.38 0.05 0.00 -0.00 0.00 0.00 56.30 55.97 1sjj h ASN 366 Cb 0.61 0.04 -0.04 0.00 -0.00 0.00 0.00 38.32 38.93 1sjj h ASN 366 CO 0.00 0.37 0.46 0.78 -0.00 0.00 0.00 177.43 179.04 1sjj h ASN 367 N -0.77 0.68 -0.95 6.14 2.35 -1.33 0.30 115.58 122.00 1sjj h ASN 367 Ca -0.02 -0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.75 1sjj h ASN 367 Cb 0.53 -0.15 -0.05 0.00 0.05 0.00 0.00 38.32 38.70 1sjj h ASN 367 CO 0.03 0.45 0.62 0.00 -1.65 0.00 0.00 177.43 176.89 1sjj h ALA 368 N 1.61 1.23 -0.09 -0.83 0.00 -1.25 0.99 119.26 120.92 1sjj h ALA 368 Ca 0.29 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.97 1sjj h ALA 368 Cb 0.17 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1sjj h ALA 368 CO -0.09 0.54 -0.72 2.35 0.00 0.00 0.00 179.25 181.34 1sjj h TRP 369 N 1.24 0.59 0.23 0.00 2.91 -1.14 -1.17 115.95 118.61 1sjj h TRP 369 Ca 0.36 -0.26 -0.01 0.00 1.13 0.00 0.00 58.89 60.12 1sjj h TRP 369 Cb -0.07 -0.09 -0.00 0.00 -0.51 0.00 0.00 29.16 28.49 1sjj h TRP 369 CO -0.01 1.01 -0.13 0.78 -1.03 0.00 0.00 178.44 179.06 1sjj h GLY 370 N 1.21 -0.35 0.69 2.65 0.00 -0.79 -1.35 103.07 105.13 1sjj h GLY 370 Ca -0.03 0.14 0.06 0.00 0.00 0.00 0.00 47.33 47.51 1sjj h GLY 370 CO 0.13 -0.14 0.42 -1.33 0.00 0.00 0.00 176.54 175.62 1sjj h GLY 371 N -0.34 1.08 0.49 4.60 0.00 -0.78 0.07 103.07 108.19 1sjj h GLY 371 Ca -0.03 -0.30 0.03 0.00 0.00 0.00 0.00 47.33 47.04 1sjj h GLY 371 CO 0.03 0.19 -0.22 -2.00 0.00 0.00 0.00 176.54 174.54 1sjj h LEU 372 N 0.77 -0.65 -0.49 3.11 5.85 -1.18 -1.75 115.31 120.98 1sjj h LEU 372 Ca 0.32 0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.13 1sjj h LEU 372 Cb 0.19 0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1sjj h LEU 372 CO -0.18 -0.29 0.00 -0.62 -0.34 0.00 0.00 178.44 177.01 1sjj n GLU 373 N -5.35 0.17 0.08 1.25 -0.58 -0.51 -2.28 120.64 113.42 1sjj n GLU 373 Ca -0.05 0.36 -0.12 0.00 -0.42 0.00 0.00 57.16 56.93 1sjj n GLU 373 Cb 0.26 -1.80 -0.08 0.00 -0.57 0.00 0.00 31.44 29.25 1sjj n GLU 373 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1sjj h GLN 374 N 0.00 -0.23 -0.10 3.49 1.08 -0.36 -3.21 115.11 115.77 1sjj h GLN 374 Ca 0.00 0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1sjj h GLN 374 Cb 0.40 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 1sjj h GLN 374 CO 0.00 0.17 0.03 0.00 -0.95 0.00 0.00 178.83 178.09 1sjj h ALA 375 N -0.10 1.87 -0.71 3.87 0.00 -1.15 -2.13 119.26 120.92 1sjj h ALA 375 Ca -0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1sjj h ALA 375 Cb 0.51 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1sjj h ALA 375 CO 0.04 0.11 0.33 0.93 0.00 0.00 0.00 179.25 180.66 1sjj h GLU 376 N 0.14 1.01 -0.00 0.00 4.39 -1.55 -3.00 114.58 115.57 1sjj h GLU 376 Ca 0.04 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1sjj h GLU 376 Cb 0.04 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.51 1sjj h GLU 376 CO -0.00 0.79 0.00 -0.22 -1.16 0.00 0.00 179.01 178.41 1sjj h LYS 377 N 1.00 0.00 -0.19 2.33 1.63 -1.38 -2.64 116.57 117.33 1sjj h LYS 377 Ca 0.24 0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.84 1sjj h LYS 377 Cb 0.12 0.00 -0.39 0.00 -0.60 0.00 0.00 32.23 31.36 1sjj h LYS 377 CO -0.03 0.00 -1.07 0.41 -3.45 0.00 0.00 179.45 175.31 1sjj n GLY 378 N -1.38 1.42 0.13 5.01 0.00 -1.26 -4.68 105.19 104.43 1sjj n GLY 378 Ca -0.03 -0.96 -0.22 0.00 0.00 0.00 0.00 46.02 44.81 1sjj n GLY 378 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1sjj n TYR 379 N 0.01 1.14 0.05 1.61 9.36 -0.99 -3.44 117.16 124.89 1sjj n TYR 379 Ca 0.07 0.32 -0.12 0.00 3.32 0.00 0.00 57.90 61.49 1sjj n TYR 379 Cb 1.00 -1.14 -0.07 0.00 -0.63 0.00 0.00 39.34 38.49 1sjj n TYR 379 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 1sjj h GLU 380 N -0.34 -0.04 -0.43 2.98 4.22 -1.86 -1.42 114.58 117.69 1sjj h GLU 380 Ca -0.41 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 58.94 1sjj h GLU 380 Cb 1.76 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 31.01 1sjj h GLU 380 CO -0.03 0.04 -0.11 1.49 -2.18 0.00 0.00 179.01 178.21 1sjj h GLU 381 N -0.12 0.78 -0.52 1.92 4.22 -1.83 -2.25 114.58 116.78 1sjj h GLU 381 Ca -0.00 -0.26 0.10 0.00 0.08 0.00 0.00 59.36 59.27 1sjj h GLU 381 Cb 0.10 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.21 1sjj h GLU 381 CO 0.01 0.86 0.05 2.35 -2.18 0.00 0.00 179.01 180.09 1sjj h TRP 382 N 0.70 0.05 0.03 0.92 7.01 -1.53 -2.42 115.95 120.72 1sjj h TRP 382 Ca 0.12 0.04 0.00 0.00 2.11 0.00 0.00 58.89 61.16 1sjj h TRP 382 Cb 0.59 0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.69 1sjj h TRP 382 CO 0.03 -0.08 -0.16 -0.07 -2.79 0.00 0.00 178.44 175.37 1sjj h LEU 383 N 0.17 -0.49 -0.90 0.65 3.38 -0.81 -3.06 115.31 114.24 1sjj h LEU 383 Ca 0.26 0.05 0.24 0.00 0.09 0.00 0.00 57.88 58.53 1sjj h LEU 383 Cb 0.39 0.18 -0.16 0.00 0.09 0.00 0.00 40.66 41.16 1sjj h LEU 383 CO -0.40 -0.17 0.11 -0.07 0.09 0.00 0.00 178.44 178.00 1sjj h LEU 384 N -0.23 -0.27 -0.81 1.67 3.38 -1.29 0.27 115.31 118.04 1sjj h LEU 384 Ca -0.00 0.23 0.03 0.00 0.09 0.00 0.00 57.88 58.23 1sjj h LEU 384 Cb 0.23 0.38 -0.05 0.00 0.09 0.00 0.00 40.66 41.31 1sjj h LEU 384 CO -0.09 -0.26 0.52 0.78 0.09 0.00 0.00 178.44 179.48 1sjj h ASN 385 N 0.09 0.87 0.02 -0.43 2.35 -1.45 -0.91 115.58 116.12 1sjj h ASN 385 Ca 0.55 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.29 1sjj h ASN 385 Cb 1.12 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.29 1sjj h ASN 385 CO -0.77 0.60 -0.45 -0.62 -1.65 0.00 0.00 177.43 174.54 1sjj n GLU 386 N -4.58 1.16 0.16 0.81 1.02 -0.30 -3.30 120.64 115.61 1sjj n GLU 386 Ca 0.09 -0.93 -0.13 0.00 -0.02 0.00 0.00 57.16 56.17 1sjj n GLU 386 Cb 0.08 -1.48 -0.08 0.00 -0.02 0.00 0.00 31.44 29.94 1sjj n GLU 386 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1sjj h ILE 387 N 2.26 0.70 -3.26 -3.67 1.08 -0.48 -3.42 117.51 110.72 1sjj h ILE 387 Ca 0.00 -0.55 -0.45 0.00 -0.39 0.00 0.00 64.86 63.46 1sjj h ILE 387 Cb 0.72 0.98 0.22 0.00 -3.07 0.00 0.00 36.82 35.67 1sjj h ILE 387 CO 0.00 0.11 -0.13 0.54 -0.69 0.00 0.00 178.15 177.98 1sjj n ARG 388 N -5.14 -2.05 0.00 2.37 1.74 -0.35 -2.03 116.66 111.20 1sjj n ARG 388 Ca -0.10 -0.57 0.00 0.00 -0.77 0.00 0.00 57.85 56.42 1sjj n ARG 388 Cb 0.26 -2.13 0.00 0.00 -1.02 0.00 0.00 32.46 29.57 1sjj n ARG 388 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1sjj n ARG 389 N -4.44 0.00 -0.18 5.56 0.63 -1.26 -4.17 116.66 112.80 1sjj n ARG 389 Ca 0.04 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 57.01 1sjj n ARG 389 Cb 0.55 0.00 0.32 0.00 0.45 0.00 0.00 32.46 33.78 1sjj n ARG 389 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1sjj h LEU 390 N 0.00 0.71 -8.37 6.15 3.38 -1.82 -3.09 115.31 112.28 1sjj h LEU 390 Ca 0.00 -0.01 -0.32 0.00 0.09 0.00 0.00 57.88 57.64 1sjj h LEU 390 Cb 0.00 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1sjj h LEU 390 CO 0.00 0.48 0.90 -0.70 0.09 0.00 0.00 178.44 179.21 1sjj s GLU 391 N -5.72 2.34 0.00 1.13 -6.30 -0.86 -3.19 118.70 106.11 1sjj s GLU 391 Ca -0.10 0.32 0.00 0.00 -2.50 0.00 0.00 54.97 52.69 1sjj s GLU 391 Cb 0.19 -4.76 0.00 0.00 0.00 0.00 0.00 34.13 29.56 1sjj s GLU 391 CO 0.77 -3.38 0.00 -2.13 0.02 0.00 0.00 175.26 170.54 1sjj n ARG 392 N 8.96 0.00 -0.28 4.30 0.63 -1.18 -4.84 116.66 124.25 1sjj n ARG 392 Ca 0.35 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 57.20 1sjj n ARG 392 Cb 0.49 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.33 1sjj n ARG 392 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1sjj h LEU 393 N 0.00 -1.50 -0.98 6.15 -0.00 -1.50 -1.09 115.31 116.39 1sjj h LEU 393 Ca 0.00 0.23 0.32 0.00 -0.00 0.00 0.00 57.88 58.42 1sjj h LEU 393 Cb 0.00 0.66 -0.15 0.00 -0.00 0.00 0.00 40.66 41.17 1sjj h LEU 393 CO 0.00 -0.17 0.48 0.44 -0.00 0.00 0.00 178.44 179.19 1sjj h ASP 394 N -0.02 0.35 0.17 -0.43 3.32 -1.90 0.25 116.42 118.15 1sjj h ASP 394 Ca 0.11 0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 1sjj h ASP 394 Cb 0.30 0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1sjj h ASP 394 CO -0.64 -0.19 -0.08 -0.74 -1.72 0.00 0.00 179.24 175.87 1sjj h HIS 395 N 0.24 -0.21 0.00 4.55 2.76 -1.53 -0.97 115.15 119.98 1sjj h HIS 395 Ca 0.71 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.88 1sjj h HIS 395 Cb 1.64 0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.67 1sjj h HIS 395 CO -0.08 0.18 0.00 -0.07 -1.30 0.00 0.00 177.93 176.66 1sjj h LEU 396 N -0.68 0.00 -0.44 0.26 3.38 -1.19 0.46 115.31 117.11 1sjj h LEU 396 Ca -0.02 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.77 1sjj h LEU 396 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1sjj h LEU 396 CO 0.04 0.00 -0.71 0.00 0.09 0.00 0.00 178.44 177.86 1sjj h ALA 397 N 2.11 0.63 -0.12 1.53 0.00 -0.48 -2.19 119.26 120.73 1sjj h ALA 397 Ca 0.00 -0.60 -0.07 0.00 0.00 0.00 0.00 54.91 54.24 1sjj h ALA 397 Cb 0.40 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1sjj h ALA 397 CO 0.00 0.76 -0.22 0.93 0.00 0.00 0.00 179.25 180.72 1sjj h GLU 398 N 0.26 0.35 -1.00 0.00 4.39 0.12 0.80 114.58 119.51 1sjj h GLU 398 Ca -0.03 -0.22 0.17 0.00 0.34 0.00 0.00 59.36 59.62 1sjj h GLU 398 Cb 1.27 0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 29.85 1sjj h GLU 398 CO 0.12 0.81 0.62 -0.22 -1.16 0.00 0.00 179.01 179.18 1sjj h LYS 399 N -0.07 0.79 0.34 2.33 3.64 -1.05 -0.47 116.57 122.08 1sjj h LYS 399 Ca 0.01 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1sjj h LYS 399 Cb 0.80 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1sjj h LYS 399 CO 0.05 0.52 -0.16 0.35 -2.27 0.00 0.00 179.45 177.94 1sjj h PHE 400 N 0.81 -0.43 -0.35 1.91 3.57 -1.32 -2.74 116.94 118.39 1sjj h PHE 400 Ca 0.55 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 62.10 1sjj h PHE 400 Cb 0.80 0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.62 1sjj h PHE 400 CO -0.00 -0.24 -0.01 0.00 -2.23 0.00 0.00 178.31 175.83 1sjj h ARG 401 N -0.49 0.09 0.67 1.11 2.47 0.42 -1.63 114.38 117.01 1sjj h ARG 401 Ca -0.05 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.63 1sjj h ARG 401 Cb 0.37 -0.02 0.01 0.00 -1.65 0.00 0.00 29.97 28.68 1sjj h ARG 401 CO 0.08 0.06 -0.32 1.96 0.56 0.00 0.00 179.97 182.30 1sjj h GLN 402 N 0.09 -0.87 0.00 0.04 1.08 -1.24 -3.02 115.11 111.19 1sjj h GLN 402 Ca 0.17 0.06 -0.17 0.00 -1.45 0.00 0.00 58.65 57.25 1sjj h GLN 402 Cb 0.24 0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 1sjj h GLN 402 CO -0.29 -0.55 -0.83 0.87 -0.95 0.00 0.00 178.83 177.08 1sjj h LYS 403 N -1.04 0.00 -0.30 1.46 1.57 -1.50 -2.58 116.57 114.19 1sjj h LYS 403 Ca -0.09 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 1sjj h LYS 403 Cb 0.72 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1sjj h LYS 403 CO 0.15 0.83 0.01 0.00 -0.57 0.00 0.00 179.45 179.87 1sjj h ALA 404 N 1.17 0.40 0.19 3.86 0.00 -1.40 -1.38 119.26 122.10 1sjj h ALA 404 Ca -0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1sjj h ALA 404 Cb 1.63 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1sjj h ALA 404 CO 0.11 0.14 -0.09 0.77 0.00 0.00 0.00 179.25 180.18 1sjj h SER 405 N 0.32 -0.21 0.65 0.00 0.02 -1.61 -3.03 113.55 109.69 1sjj h SER 405 Ca 0.09 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 1sjj h SER 405 Cb 0.42 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1sjj h SER 405 CO 0.01 -0.15 -0.17 0.16 -1.14 0.00 0.00 176.83 175.54 1sjj h ILE 406 N -0.25 0.55 0.12 3.27 -0.00 -1.39 -1.89 117.51 117.92 1sjj h ILE 406 Ca -0.03 -0.83 -0.00 0.00 -0.00 0.00 0.00 64.86 64.00 1sjj h ILE 406 Cb 0.19 1.56 -0.00 0.00 -0.00 0.00 0.00 36.82 38.57 1sjj h ILE 406 CO 0.04 0.17 -0.06 -0.74 -0.00 0.00 0.00 178.15 177.56 1sjj h HIS 407 N 0.00 -0.16 0.00 0.16 2.76 -1.21 -3.01 115.15 113.68 1sjj h HIS 407 Ca -0.00 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.12 1sjj h HIS 407 Cb 0.55 0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.56 1sjj h HIS 407 CO 0.00 -0.10 -0.22 1.05 -1.30 0.00 0.00 177.93 177.36 1sjj h GLU 408 N -0.17 0.00 0.00 5.26 4.11 -1.36 -2.76 114.58 119.65 1sjj h GLU 408 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1sjj h GLU 408 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1sjj h GLU 408 CO 0.02 0.22 0.00 -1.13 0.07 0.00 0.00 179.01 178.19 1sjj n SER 409 N -3.32 0.31 -0.06 3.06 3.41 -0.74 -0.85 113.62 115.43 1sjj n SER 409 Ca 0.01 0.63 -0.01 0.00 -0.26 0.00 0.00 58.87 59.24 1sjj n SER 409 Cb 0.47 -0.67 -0.15 0.00 -0.26 0.00 0.00 64.21 63.59 1sjj n SER 409 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 1sjj n TRP 410 N -1.89 0.00 0.04 7.33 -0.00 -1.06 -4.52 117.44 117.34 1sjj n TRP 410 Ca -0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.45 1sjj n TRP 410 Cb 0.06 -0.72 -0.10 0.00 -0.00 0.00 0.00 31.31 30.54 1sjj n TRP 410 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 177.69 179.48 1sjj h THR 411 N 0.00 1.17 -0.40 5.87 1.35 -0.78 -3.38 112.91 116.74 1sjj h THR 411 Ca -0.29 -2.84 -0.16 0.00 -0.55 0.00 0.00 66.41 62.57 1sjj h THR 411 Cb 1.62 2.55 -0.02 0.00 -1.73 0.00 0.00 68.15 70.56 1sjj h THR 411 CO 0.02 0.67 0.48 -1.81 -0.25 0.00 0.00 175.52 174.62 1sjj s ASP 412 N -6.36 4.35 0.00 5.36 1.01 -0.04 -2.19 116.67 118.79 1sjj s ASP 412 Ca -0.01 -0.89 0.00 0.00 0.71 0.00 0.00 52.55 52.37 1sjj s ASP 412 Cb 0.09 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.44 1sjj s ASP 412 CO 0.81 -3.67 0.00 0.61 0.21 0.00 0.00 175.17 173.13 1sjj n GLY 413 N 6.35 0.81 0.09 0.21 0.00 -1.26 -4.96 105.19 106.43 1sjj n GLY 413 Ca 0.43 -0.04 -0.02 0.00 0.00 0.00 0.00 46.02 46.38 1sjj n GLY 413 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sjj h LYS 414 N 0.00 -0.04 -0.37 1.61 1.79 -1.62 -1.65 116.57 116.29 1sjj h LYS 414 Ca 0.00 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.55 1sjj h LYS 414 Cb 0.00 0.01 -0.08 0.00 -1.58 0.00 0.00 32.23 30.58 1sjj h LYS 414 CO 0.00 -0.03 -0.21 0.93 -1.08 0.00 0.00 179.45 179.06 1sjj h GLU 415 N -0.04 -0.15 -0.75 3.15 4.39 -1.95 0.24 114.58 119.47 1sjj h GLU 415 Ca 0.02 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1sjj h GLU 415 Cb 0.10 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.75 1sjj h GLU 415 CO -0.15 -0.10 0.48 0.00 -1.16 0.00 0.00 179.01 178.08 1sjj h ALA 416 N 1.05 0.95 -0.34 3.43 0.00 -1.86 -2.28 119.26 120.21 1sjj h ALA 416 Ca 0.18 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 1sjj h ALA 416 Cb 0.44 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1sjj h ALA 416 CO -0.46 0.38 -0.23 1.98 0.00 0.00 0.00 179.25 180.92 1sjj h MET 417 N 1.02 0.65 -0.32 0.00 1.85 -0.64 -3.31 114.93 114.17 1sjj h MET 417 Ca 0.27 -0.25 -0.08 0.00 -0.61 0.00 0.00 59.70 59.03 1sjj h MET 417 Cb -0.10 -0.04 -0.02 0.00 0.43 0.00 0.00 31.60 31.88 1sjj h MET 417 CO -0.06 0.83 -0.12 -0.07 -0.40 0.00 0.00 176.91 177.09 1sjj h LEU 418 N 0.57 0.53 -0.82 3.39 3.38 -0.00 -3.22 115.31 119.15 1sjj h LEU 418 Ca 0.08 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1sjj h LEU 418 Cb 0.70 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1sjj h LEU 418 CO 0.05 0.69 0.28 -0.61 0.09 0.00 0.00 178.44 178.94 1sjj h GLN 419 N 0.51 1.16 -6.24 1.13 -0.00 -1.52 -3.45 115.11 106.69 1sjj h GLN 419 Ca 0.09 -0.22 -0.69 0.00 -0.00 0.00 0.00 58.65 57.83 1sjj h GLN 419 Cb 0.51 -0.18 0.03 0.00 0.00 0.00 0.00 27.48 27.84 1sjj h GLN 419 CO 0.03 0.95 0.74 1.04 0.00 0.00 0.00 178.83 181.59 1sjj n GLN 420 N -4.27 1.33 -2.51 1.69 1.13 -1.22 -4.87 117.38 108.66 1sjj n GLN 420 Ca 0.07 0.49 -0.42 0.00 -1.94 0.00 0.00 57.00 55.19 1sjj n GLN 420 Cb 0.20 -2.18 0.01 0.00 0.11 0.00 0.00 30.24 28.38 1sjj n GLN 420 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1sjj n LYS 421 N 4.21 4.35 0.15 -1.09 5.02 -1.26 -4.73 118.16 124.82 1sjj n LYS 421 Ca 0.22 -4.00 0.13 0.00 -2.02 0.00 0.00 58.31 52.65 1sjj n LYS 421 Cb 0.18 -2.67 0.48 0.00 -0.02 0.00 0.00 35.03 33.00 1sjj n LYS 421 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 1sjj h ASP 422 N 5.19 0.00 0.44 4.39 -0.00 -1.89 -3.15 116.42 121.40 1sjj h ASP 422 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.45 1sjj h ASP 422 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.84 1sjj h ASP 422 CO 1.45 0.00 -0.82 0.00 -0.00 0.00 0.00 179.24 179.87 1sjj n TYR 423 N -2.41 0.18 -0.05 4.15 0.18 -1.26 -4.54 117.16 113.41 1sjj n TYR 423 Ca 0.03 0.05 -0.01 0.00 1.88 0.00 0.00 57.90 59.85 1sjj n TYR 423 Cb 0.30 -0.35 -0.00 0.00 -0.38 0.00 0.00 39.34 38.92 1sjj n TYR 423 CO 0.00 0.00 0.00 0.93 -2.08 0.00 0.00 176.86 175.71 1sjj h GLU 424 N 0.00 0.00 -5.37 -3.48 4.39 -1.95 -3.45 114.58 104.73 1sjj h GLU 424 Ca 0.00 0.00 -0.60 0.00 0.34 0.00 0.00 59.36 59.10 1sjj h GLU 424 Cb 0.63 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.17 1sjj h GLU 424 CO 0.00 0.00 -0.34 0.95 -1.16 0.00 0.00 179.01 178.46 1sjj s THR 425 N -1.67 5.29 -1.93 1.13 -4.23 -1.26 -2.77 115.64 110.21 1sjj s THR 425 Ca -0.03 0.49 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 1sjj s THR 425 Cb 0.00 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.22 1sjj s THR 425 CO 0.04 0.34 0.00 0.00 -0.54 0.00 0.00 174.62 174.46 1sjj n ALA 426 N 4.01 0.00 -2.40 3.99 0.00 -1.26 -4.82 120.51 120.03 1sjj n ALA 426 Ca -0.12 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.23 1sjj n ALA 426 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.88 1sjj n ALA 426 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1sjj s THR 427 N -3.90 0.12 0.18 0.00 -4.23 -1.26 -4.74 115.64 101.81 1sjj s THR 427 Ca 0.00 -1.60 -0.14 0.00 -1.18 0.00 0.00 61.69 58.77 1sjj s THR 427 Cb 0.00 -1.78 0.11 0.00 1.34 0.00 0.00 72.50 72.17 1sjj s THR 427 CO 0.00 -0.52 1.69 0.25 -0.54 0.00 0.00 174.62 175.50 1sjj h LEU 428 N 2.78 -0.18 -0.34 4.79 5.85 -1.98 0.58 115.31 126.82 1sjj h LEU 428 Ca -0.34 0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.56 1sjj h LEU 428 Cb 1.20 0.19 -0.07 0.00 0.37 0.00 0.00 40.66 42.35 1sjj h LEU 428 CO 0.56 -0.05 -0.13 0.77 -0.34 0.00 0.00 178.44 179.25 1sjj h SER 429 N 0.12 -0.45 -0.35 1.25 4.64 -1.99 -2.68 113.55 114.09 1sjj h SER 429 Ca 0.23 0.12 -0.14 0.00 -0.47 0.00 0.00 61.79 61.53 1sjj h SER 429 Cb 0.34 0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 1sjj h SER 429 CO -0.38 -0.16 -0.33 -0.33 -0.87 0.00 0.00 176.83 174.76 1sjj h GLU 430 N -0.07 0.84 -0.71 4.77 4.39 -1.58 -1.00 114.58 121.22 1sjj h GLU 430 Ca 0.17 -0.43 -0.07 0.00 0.34 0.00 0.00 59.36 59.37 1sjj h GLU 430 Cb 0.32 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 1sjj h GLU 430 CO -0.39 1.07 0.19 -0.84 -1.16 0.00 0.00 179.01 177.89 1sjj h ILE 431 N 0.63 1.26 -0.63 3.13 -0.00 -0.96 -1.79 117.51 119.15 1sjj h ILE 431 Ca 0.06 -0.95 -0.06 0.00 -0.00 0.00 0.00 64.86 63.91 1sjj h ILE 431 Cb 0.91 0.52 -0.03 0.00 -0.00 0.00 0.00 36.82 38.22 1sjj h ILE 431 CO 0.08 0.37 0.16 0.11 -0.00 0.00 0.00 178.15 178.87 1sjj h LYS 432 N 1.07 0.98 -0.28 0.16 1.57 -1.39 -0.07 116.57 118.61 1sjj h LYS 432 Ca 0.23 -0.21 0.06 0.00 -1.87 0.00 0.00 60.65 58.86 1sjj h LYS 432 Cb 0.35 -0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.46 1sjj h LYS 432 CO -0.00 0.86 -0.15 0.00 -0.57 0.00 0.00 179.45 179.59 1sjj h ALA 433 N 1.23 0.06 -0.29 3.86 0.00 -1.06 -1.36 119.26 121.70 1sjj h ALA 433 Ca 0.20 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1sjj h ALA 433 Cb 0.32 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1sjj h ALA 433 CO -0.00 -0.55 0.12 -0.07 0.00 0.00 0.00 179.25 178.75 1sjj h LEU 434 N -0.12 0.35 -0.57 0.00 3.38 -0.85 -1.32 115.31 116.19 1sjj h LEU 434 Ca 0.15 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1sjj h LEU 434 Cb 0.34 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1sjj h LEU 434 CO -0.35 0.32 -0.10 0.25 0.09 0.00 0.00 178.44 178.65 1sjj h LEU 435 N 0.40 0.00 0.00 1.67 5.85 -0.56 0.22 115.31 122.89 1sjj h LEU 435 Ca 0.10 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.66 1sjj h LEU 435 Cb 0.07 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1sjj h LEU 435 CO -0.01 0.10 -1.21 0.11 -0.34 0.00 0.00 178.44 177.08 1sjj h LYS 436 N 0.00 0.00 -0.38 1.25 1.57 -1.04 -2.37 116.57 115.60 1sjj h LYS 436 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1sjj h LYS 436 Cb 0.88 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 1sjj h LYS 436 CO 0.01 0.37 -0.01 0.87 -0.57 0.00 0.00 179.45 180.13 1sjj h LYS 437 N 0.00 0.68 -0.62 3.15 1.57 -1.18 -3.30 116.57 116.88 1sjj h LYS 437 Ca -0.13 -0.22 0.02 0.00 -1.87 0.00 0.00 60.65 58.45 1sjj h LYS 437 Cb 1.56 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.78 1sjj h LYS 437 CO 0.05 0.78 0.40 1.25 -0.57 0.00 0.00 179.45 181.36 1sjj h HIS 438 N 0.50 0.75 0.00 -1.35 2.76 -0.52 0.73 115.15 118.02 1sjj h HIS 438 Ca 0.11 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 1sjj h HIS 438 Cb 0.48 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.19 1sjj h HIS 438 CO 0.04 0.45 0.00 0.93 -1.30 0.00 0.00 177.93 178.05 1sjj h GLU 439 N 0.79 0.00 -0.00 5.26 4.39 -1.54 -1.06 114.58 122.42 1sjj h GLU 439 Ca 0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.94 1sjj h GLU 439 Cb -0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1sjj h GLU 439 CO -0.07 0.00 -0.47 0.00 -1.16 0.00 0.00 179.01 177.30 1sjj n ALA 440 N -1.90 3.52 0.07 3.43 0.00 0.21 -2.31 120.51 123.53 1sjj n ALA 440 Ca -0.02 -0.40 -0.03 0.00 0.00 0.00 0.00 53.44 52.99 1sjj n ALA 440 Cb 0.06 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.41 1sjj n ALA 440 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1sjj h PHE 441 N 0.44 -0.21 -0.73 0.00 3.57 -0.75 -2.82 116.94 116.44 1sjj h PHE 441 Ca 0.00 -0.00 0.27 0.00 3.53 0.00 0.00 57.97 61.77 1sjj h PHE 441 Cb 0.51 0.07 -0.13 0.00 2.79 0.00 0.00 35.95 39.19 1sjj h PHE 441 CO 0.00 -0.13 0.27 0.39 -2.23 0.00 0.00 178.31 176.61 1sjj n GLU 442 N -3.72 -0.05 0.09 1.11 -0.58 -1.17 -0.79 120.64 115.53 1sjj n GLU 442 Ca -0.03 1.03 -0.06 0.00 -0.42 0.00 0.00 57.16 57.68 1sjj n GLU 442 Cb 0.09 -1.78 0.06 0.00 -0.57 0.00 0.00 31.44 29.24 1sjj n GLU 442 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1sjj h SER 443 N 0.00 0.23 0.37 1.62 0.87 -1.52 -1.27 113.55 113.85 1sjj h SER 443 Ca 0.56 -0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.94 1sjj h SER 443 Cb 1.40 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 1sjj h SER 443 CO -0.60 0.88 -0.18 -0.78 -0.53 0.00 0.00 176.83 175.62 1sjj h ASP 444 N 0.13 -0.42 -0.45 6.23 1.82 -0.83 -3.38 116.42 119.52 1sjj h ASP 444 Ca -0.02 -0.08 0.09 0.00 -0.39 0.00 0.00 57.03 56.62 1sjj h ASP 444 Cb 1.29 0.11 -0.10 0.00 0.68 0.00 0.00 39.33 41.31 1sjj h ASP 444 CO 0.11 -0.16 -0.32 0.25 -1.61 0.00 0.00 179.24 177.51 1sjj h LEU 445 N -0.67 -1.08 -1.49 2.28 7.12 -0.89 -2.76 115.31 117.81 1sjj h LEU 445 Ca -0.05 0.20 0.28 0.00 0.13 0.00 0.00 57.88 58.44 1sjj h LEU 445 Cb 0.48 0.52 -0.08 0.00 -0.53 0.00 0.00 40.66 41.04 1sjj h LEU 445 CO 0.08 -0.31 0.70 0.00 -0.13 0.00 0.00 178.44 178.78 1sjj h ALA 446 N 0.84 2.41 -0.28 1.25 0.00 -1.40 -2.37 119.26 119.71 1sjj h ALA 446 Ca 0.19 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 1sjj h ALA 446 Cb 0.54 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1sjj h ALA 446 CO -0.57 -0.80 -0.32 0.00 0.00 0.00 0.00 179.25 177.56 1sjj h ALA 447 N 1.58 0.42 0.00 0.00 0.00 -1.69 -3.30 119.26 116.27 1sjj h ALA 447 Ca 0.59 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1sjj h ALA 447 Cb 1.65 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1sjj h ALA 447 CO -0.24 0.46 0.00 0.72 0.00 0.00 0.00 179.25 180.19 1sjj n HIS 448 N -4.24 0.00 0.02 0.00 8.25 -0.89 -3.45 115.22 114.92 1sjj n HIS 448 Ca -0.04 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.23 1sjj n HIS 448 Cb 0.49 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.47 1sjj n HIS 448 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1sjj h GLN 449 N 0.00 0.29 -0.79 -0.41 -0.00 -1.66 -3.24 115.11 109.30 1sjj h GLN 449 Ca 0.00 -0.43 0.19 0.00 -0.00 0.00 0.00 58.65 58.41 1sjj h GLN 449 Cb 0.00 0.15 -0.13 0.00 0.00 0.00 0.00 27.48 27.50 1sjj h GLN 449 CO 0.00 1.17 0.14 0.22 0.00 0.00 0.00 178.83 180.35 1sjj h ASP 450 N -0.37 -0.11 -0.92 -0.69 -0.00 -1.80 -1.81 116.42 110.72 1sjj h ASP 450 Ca -0.11 0.18 0.08 0.00 -0.00 0.00 0.00 57.03 57.18 1sjj h ASP 450 Cb 1.46 0.27 -0.07 0.00 -0.00 0.00 0.00 39.33 40.99 1sjj h ASP 450 CO 0.12 -0.12 0.57 -0.09 -0.00 0.00 0.00 179.24 179.72 1sjj h ARG 451 N 0.19 0.98 -0.23 0.28 2.43 -1.76 0.26 114.38 116.54 1sjj h ARG 451 Ca 0.46 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 59.44 1sjj h ARG 451 Cb 0.85 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1sjj h ARG 451 CO -0.61 0.65 -0.42 0.28 -1.51 0.00 0.00 179.97 178.36 1sjj h VAL 452 N 1.01 1.30 0.19 0.20 2.07 -1.38 0.18 116.25 119.83 1sjj h VAL 452 Ca 0.41 -1.59 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 1sjj h VAL 452 Cb 0.25 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1sjj h VAL 452 CO -0.20 0.50 -0.09 -0.33 0.02 0.00 0.00 177.57 177.47 1sjj h GLU 453 N 0.45 -0.25 -0.44 1.57 4.39 -1.43 -1.55 114.58 117.32 1sjj h GLU 453 Ca 0.04 0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.84 1sjj h GLU 453 Cb 0.91 0.06 -0.09 0.00 -0.10 0.00 0.00 28.75 29.54 1sjj h GLU 453 CO 0.08 0.08 -0.12 1.96 -1.16 0.00 0.00 179.01 179.85 1sjj h GLN 454 N -0.62 -0.02 -0.46 2.33 1.08 -0.86 -1.23 115.11 115.34 1sjj h GLN 454 Ca -0.03 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.22 1sjj h GLN 454 Cb 0.45 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.84 1sjj h GLN 454 CO 0.04 -0.01 0.22 0.82 -0.95 0.00 0.00 178.83 178.96 1sjj h ILE 455 N -0.02 0.95 0.00 2.54 2.04 -0.69 -2.96 117.51 119.37 1sjj h ILE 455 Ca 0.21 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.92 1sjj h ILE 455 Cb 0.34 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1sjj h ILE 455 CO -0.46 0.08 0.00 0.00 0.00 0.00 0.00 178.15 177.77 1sjj n ALA 456 N -2.32 -0.11 -0.31 1.87 0.00 -0.58 -2.62 120.51 116.43 1sjj n ALA 456 Ca 0.03 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.70 1sjj n ALA 456 Cb 0.13 0.09 0.43 0.00 0.00 0.00 0.00 19.45 20.10 1sjj n ALA 456 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sjj n ALA 457 N -1.16 0.75 0.11 0.00 0.00 -0.50 -0.45 120.51 119.26 1sjj n ALA 457 Ca 0.00 0.98 -0.20 0.00 0.00 0.00 0.00 53.44 54.22 1sjj n ALA 457 Cb 0.00 -0.86 -0.15 0.00 0.00 0.00 0.00 19.45 18.45 1sjj n ALA 457 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1sjj h ILE 458 N 0.00 1.35 -0.66 0.00 2.04 -1.65 -2.16 117.51 116.43 1sjj h ILE 458 Ca 0.69 -2.87 -0.08 0.00 1.00 0.00 0.00 64.86 63.60 1sjj h ILE 458 Cb 1.69 2.95 -0.03 0.00 -0.74 0.00 0.00 36.82 40.69 1sjj h ILE 458 CO -0.79 0.85 0.09 0.00 0.00 0.00 0.00 178.15 178.30 1sjj h ALA 459 N 0.39 0.91 -0.33 1.87 0.00 -0.90 -1.73 119.26 119.46 1sjj h ALA 459 Ca -0.20 -0.28 0.04 0.00 0.00 0.00 0.00 54.91 54.47 1sjj h ALA 459 Cb 2.06 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 19.56 1sjj h ALA 459 CO 0.22 0.67 0.10 0.37 0.00 0.00 0.00 179.25 180.61 1sjj h GLN 460 N 1.02 0.23 -0.67 0.00 -0.00 -0.77 -1.96 115.11 112.95 1sjj h GLN 460 Ca 0.20 -0.01 0.09 0.00 -0.00 0.00 0.00 58.65 58.92 1sjj h GLN 460 Cb 0.46 -0.05 -0.07 0.00 0.00 0.00 0.00 27.48 27.82 1sjj h GLN 460 CO 0.02 0.15 0.32 1.49 0.00 0.00 0.00 178.83 180.81 1sjj h GLU 461 N 0.23 0.54 -0.91 1.69 4.81 -1.33 -2.76 114.58 116.86 1sjj h GLU 461 Ca 0.15 -0.03 0.15 0.00 -0.13 0.00 0.00 59.36 59.50 1sjj h GLU 461 Cb 0.14 -0.12 -0.09 0.00 0.63 0.00 0.00 28.75 29.30 1sjj h GLU 461 CO -0.17 0.36 0.51 1.25 -0.73 0.00 0.00 179.01 180.23 1sjj h LEU 462 N 0.56 0.67 0.16 1.64 5.85 -0.59 -2.08 115.31 121.52 1sjj h LEU 462 Ca 0.33 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 59.13 1sjj h LEU 462 Cb 0.34 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1sjj h LEU 462 CO -0.26 0.29 -0.22 0.78 -0.34 0.00 0.00 178.44 178.69 1sjj h ASN 463 N 0.73 -0.64 -0.19 1.25 2.35 -1.12 -3.29 115.58 114.68 1sjj h ASN 463 Ca 0.49 0.06 0.06 0.00 -0.55 0.00 0.00 56.30 56.35 1sjj h ASN 463 Cb 0.66 0.22 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 1sjj h ASN 463 CO -0.34 -0.27 0.50 -0.33 -1.65 0.00 0.00 177.43 175.33 1sjj h GLU 464 N -0.40 0.00 -0.51 0.81 4.39 -1.20 -2.11 114.58 115.57 1sjj h GLU 464 Ca -0.02 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.57 1sjj h GLU 464 Cb 0.36 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.94 1sjj h GLU 464 CO -0.06 0.00 0.10 1.28 -1.16 0.00 0.00 179.01 179.17 1sjj n LEU 465 N -3.12 5.05 -2.81 1.33 4.32 -1.11 -5.03 117.00 115.63 1sjj n LEU 465 Ca 0.03 -3.21 -0.06 0.00 -0.02 0.00 0.00 56.01 52.75 1sjj n LEU 465 Cb 0.59 -0.66 0.01 0.00 -1.62 0.00 0.00 43.42 41.74 1sjj n LEU 465 CO 0.17 0.81 -0.11 0.47 -1.22 0.00 0.00 177.39 177.51 1sjj n ASP 466 N -0.33 -7.99 -4.29 -1.43 8.00 -0.79 -4.88 116.55 104.84 1sjj n ASP 466 Ca 0.32 0.80 -0.29 0.00 0.71 0.00 0.00 54.79 56.33 1sjj n ASP 466 Cb 1.16 -5.39 -0.15 0.00 -0.02 0.00 0.00 41.12 36.72 1sjj n ASP 466 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1sjj s TYR 467 N -2.33 2.11 0.26 1.24 5.04 -1.25 -5.02 117.35 117.40 1sjj s TYR 467 Ca 0.18 -0.40 0.10 0.00 -2.44 0.00 0.00 57.07 54.51 1sjj s TYR 467 Cb -0.05 -1.30 0.32 0.00 0.35 0.00 0.00 41.96 41.29 1sjj s TYR 467 CO 0.77 0.05 1.59 0.10 -1.34 0.00 0.00 175.55 176.73 1sjj h TYR 468 N 5.11 0.03 -0.36 4.97 -0.00 -1.99 -2.81 116.97 121.92 1sjj h TYR 468 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.28 1sjj h TYR 468 Cb 1.14 -0.01 0.00 0.00 0.00 0.00 0.00 36.73 37.87 1sjj h TYR 468 CO 0.45 0.65 0.00 -3.47 -0.00 0.00 0.00 178.16 175.79 1sjj n ASP 469 N -3.79 2.19 0.16 0.10 2.03 -1.26 -4.49 116.55 111.49 1sjj n ASP 469 Ca -0.01 -2.07 -0.14 0.00 0.52 0.00 0.00 54.79 53.09 1sjj n ASP 469 Cb 0.63 -0.30 -0.07 0.00 -0.72 0.00 0.00 41.12 40.67 1sjj n ASP 469 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1sjj h SER 470 N 2.16 -0.65 0.00 1.67 4.64 -1.86 -1.31 113.55 118.20 1sjj h SER 470 Ca 0.00 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1sjj h SER 470 Cb 0.60 0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1sjj h SER 470 CO 0.03 -0.35 0.00 -2.65 -0.87 0.00 0.00 176.83 172.99 1sjj n PRO 471 N -5.37 0.37 -0.12 4.77 -0.02 -1.26 -2.75 135.00 130.62 1sjj n PRO 471 Ca -0.08 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.15 1sjj n PRO 471 Cb 0.27 -1.29 -0.09 0.00 -0.02 0.00 0.00 33.50 32.37 1sjj n PRO 471 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1sjj n SER 472 N -0.79 1.83 -0.07 2.55 7.64 -0.68 -4.00 113.62 120.10 1sjj n SER 472 Ca 0.05 0.23 -0.09 0.00 1.01 0.00 0.00 58.87 60.07 1sjj n SER 472 Cb 0.02 -0.67 -0.02 0.00 -1.01 0.00 0.00 64.21 62.53 1sjj n SER 472 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1sjj h VAL 473 N -0.74 1.04 -0.33 0.44 -1.51 -1.08 0.14 116.25 114.20 1sjj h VAL 473 Ca -0.62 -0.11 0.05 0.00 -1.23 0.00 0.00 66.70 64.80 1sjj h VAL 473 Cb 1.60 0.68 -0.08 0.00 -2.13 0.00 0.00 31.29 31.36 1sjj h VAL 473 CO -0.33 0.06 -0.48 0.78 -1.23 0.00 0.00 177.57 176.36 1sjj h ASN 474 N 0.33 -1.59 -0.92 4.19 2.35 -1.79 0.17 115.58 118.31 1sjj h ASN 474 Ca 0.10 0.22 0.01 0.00 -0.55 0.00 0.00 56.30 56.08 1sjj h ASN 474 Cb -0.02 0.66 -0.05 0.00 0.05 0.00 0.00 38.32 38.97 1sjj h ASN 474 CO -0.04 -0.41 0.61 0.00 -1.65 0.00 0.00 177.43 175.95 1sjj h ALA 475 N 0.14 1.35 0.08 -0.83 0.00 -1.56 0.11 119.26 118.55 1sjj h ALA 475 Ca 0.10 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1sjj h ALA 475 Cb 0.61 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1sjj h ALA 475 CO -0.54 0.59 -0.04 -0.09 0.00 0.00 0.00 179.25 179.17 1sjj h ARG 476 N 1.24 -0.11 -0.30 0.00 2.43 -0.86 -3.32 114.38 113.46 1sjj h ARG 476 Ca 0.34 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.45 1sjj h ARG 476 Cb -0.12 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 1sjj h ARG 476 CO -0.08 0.26 -0.13 0.00 -1.51 0.00 0.00 179.97 178.51 1sjj h GLN 478 N 0.48 0.90 0.00 0.00 4.20 -0.96 -2.14 115.11 117.59 1sjj h GLN 478 Ca 0.09 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.51 1sjj h GLN 478 Cb 0.51 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1sjj h GLN 478 CO 0.03 0.93 0.00 0.87 -0.67 0.00 0.00 178.83 179.99 1sjj h LYS 479 N 0.77 0.00 -0.07 1.46 1.57 -1.59 0.12 116.57 118.82 1sjj h LYS 479 Ca 0.14 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.72 1sjj h LYS 479 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1sjj h LYS 479 CO 0.03 0.00 -0.82 0.82 -0.57 0.00 0.00 179.45 178.91 1sjj h ILE 480 N 0.00 1.36 0.15 1.86 2.04 -1.11 -2.77 117.51 119.03 1sjj h ILE 480 Ca 0.00 -2.20 -0.29 0.00 1.00 0.00 0.00 64.86 63.37 1sjj h ILE 480 Cb 0.17 2.19 0.01 0.00 -0.74 0.00 0.00 36.82 38.44 1sjj h ILE 480 CO 0.00 0.67 -1.46 0.00 0.00 0.00 0.00 178.15 177.36 1sjj h ASP 482 N -0.15 0.00 0.19 0.00 3.32 -1.01 -0.88 116.42 117.89 1sjj h ASP 482 Ca -0.30 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 1sjj h ASP 482 Cb 1.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.44 1sjj h ASP 482 CO 0.12 0.00 -0.09 -0.61 -1.72 0.00 0.00 179.24 176.94 1sjj h GLN 483 N 0.00 -0.24 -0.28 3.56 4.15 -1.51 -3.33 115.11 117.46 1sjj h GLN 483 Ca 0.06 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.56 1sjj h GLN 483 Cb 0.28 0.06 -0.08 0.00 0.21 0.00 0.00 27.48 27.95 1sjj h GLN 483 CO -0.00 0.03 -0.42 2.35 -1.93 0.00 0.00 178.83 178.86 1sjj h TRP 484 N -1.01 -1.21 -0.76 3.99 2.91 -0.43 0.20 115.95 119.64 1sjj h TRP 484 Ca -0.03 0.06 0.11 0.00 1.13 0.00 0.00 58.89 60.16 1sjj h TRP 484 Cb 0.38 0.57 -0.08 0.00 -0.51 0.00 0.00 29.16 29.53 1sjj h TRP 484 CO 0.05 -0.45 0.39 0.22 -1.03 0.00 0.00 178.44 177.61 1sjj h ASP 485 N -0.40 0.50 0.27 2.65 3.58 -1.41 0.62 116.42 122.24 1sjj h ASP 485 Ca 0.11 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 1sjj h ASP 485 Cb 0.60 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.64 1sjj h ASP 485 CO -0.49 0.27 -0.13 -1.13 -2.88 0.00 0.00 179.24 174.87 1sjj h ASN 486 N 0.63 -0.31 -0.39 2.28 -1.24 -1.58 -1.05 115.58 113.91 1sjj h ASN 486 Ca 0.38 -0.12 0.07 0.00 0.71 0.00 0.00 56.30 57.34 1sjj h ASN 486 Cb 0.44 0.08 -0.06 0.00 0.73 0.00 0.00 38.32 39.51 1sjj h ASN 486 CO -0.29 -0.06 0.02 0.25 -1.29 0.00 0.00 177.43 176.06 1sjj h LEU 487 N -0.56 -0.12 -0.45 0.34 5.85 0.56 0.42 115.31 121.35 1sjj h LEU 487 Ca -0.04 0.09 0.09 0.00 0.84 0.00 0.00 57.88 58.86 1sjj h LEU 487 Cb 0.41 0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.50 1sjj h LEU 487 CO 0.06 -0.02 -0.15 1.23 -0.34 0.00 0.00 178.44 179.22 1sjj h GLY 488 N 0.13 0.25 0.53 3.75 0.00 0.15 -2.70 103.07 105.18 1sjj h GLY 488 Ca 0.19 0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.74 1sjj h GLY 488 CO -0.30 -0.19 -0.25 0.00 0.00 0.00 0.00 176.54 175.80 1sjj h ALA 489 N 1.36 -0.39 -0.83 3.60 0.00 -0.29 -2.30 119.26 120.41 1sjj h ALA 489 Ca 0.22 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.23 1sjj h ALA 489 Cb 0.38 0.41 -0.09 0.00 0.00 0.00 0.00 17.79 18.49 1sjj h ALA 489 CO -0.49 -0.77 0.44 -0.07 0.00 0.00 0.00 179.25 178.36 1sjj h LEU 490 N -0.43 0.56 -0.85 0.00 -0.00 -0.75 -1.82 115.31 112.01 1sjj h LEU 490 Ca 0.04 0.08 -0.11 0.00 -0.00 0.00 0.00 57.88 57.88 1sjj h LEU 490 Cb 0.47 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.10 1sjj h LEU 490 CO -0.17 0.27 -0.40 0.74 -0.00 0.00 0.00 178.44 178.88 1sjj h THR 491 N 0.66 1.30 -0.36 0.22 2.02 -1.44 -0.95 112.91 114.36 1sjj h THR 491 Ca 0.44 -1.52 -0.10 0.00 0.77 0.00 0.00 66.41 66.00 1sjj h THR 491 Cb 0.56 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.57 1sjj h THR 491 CO -0.33 0.46 -0.19 -0.61 0.37 0.00 0.00 175.52 175.23 1sjj h GLN 492 N 0.30 0.69 0.00 6.66 -0.00 -0.78 0.25 115.11 122.22 1sjj h GLN 492 Ca 0.03 -0.25 0.00 0.00 -0.00 0.00 0.00 58.65 58.43 1sjj h GLN 492 Cb 0.83 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 28.27 1sjj h GLN 492 CO 0.07 0.83 0.00 0.87 0.00 0.00 0.00 178.83 180.60 1sjj h LYS 493 N 0.61 0.00 0.13 1.69 1.79 -1.02 -2.18 116.57 117.59 1sjj h LYS 493 Ca 0.09 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.23 1sjj h LYS 493 Cb 0.66 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.30 1sjj h LYS 493 CO 0.05 0.00 -1.74 -0.09 -1.08 0.00 0.00 179.45 176.59 1sjj h ARG 494 N 0.00 0.27 -0.60 3.15 2.43 -0.32 -3.01 114.38 116.31 1sjj h ARG 494 Ca 0.00 -0.46 -0.01 0.00 -0.81 0.00 0.00 59.98 58.70 1sjj h ARG 494 Cb 0.55 0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.25 1sjj h ARG 494 CO 0.00 1.13 0.32 -0.09 -1.51 0.00 0.00 179.97 179.82 1sjj h ARG 495 N 0.07 0.84 -0.68 0.20 2.43 -0.49 -1.73 114.38 115.02 1sjj h ARG 495 Ca -0.32 -0.10 0.14 0.00 -0.81 0.00 0.00 59.98 58.88 1sjj h ARG 495 Cb 2.05 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 31.39 1sjj h ARG 495 CO 0.14 0.65 0.46 0.93 -1.51 0.00 0.00 179.97 180.64 1sjj h GLU 496 N 0.81 0.32 -0.20 0.20 4.39 -1.52 0.86 114.58 119.45 1sjj h GLU 496 Ca 0.21 -0.02 -0.17 0.00 0.34 0.00 0.00 59.36 59.72 1sjj h GLU 496 Cb 0.06 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1sjj h GLU 496 CO -0.03 0.21 -0.54 0.00 -1.16 0.00 0.00 179.01 177.49 1sjj h ALA 497 N 1.67 0.34 0.04 3.43 0.00 -1.20 -2.91 119.26 120.63 1sjj h ALA 497 Ca 0.33 -0.51 -0.17 0.00 0.00 0.00 0.00 54.91 54.56 1sjj h ALA 497 Cb 0.82 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.59 1sjj h ALA 497 CO -0.09 0.55 -0.67 -0.07 0.00 0.00 0.00 179.25 178.97 1sjj h LEU 498 N 0.44 0.53 -2.71 0.00 3.38 -0.97 -0.52 115.31 115.45 1sjj h LEU 498 Ca -0.01 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.15 1sjj h LEU 498 Cb 1.16 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1sjj h LEU 498 CO 0.12 1.28 0.00 -0.33 0.09 0.00 0.00 178.44 179.59 1sjj h GLU 499 N -0.16 0.00 0.00 1.13 4.39 -0.99 -2.44 114.58 116.52 1sjj h GLU 499 Ca -0.09 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.41 1sjj h GLU 499 Cb 1.41 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.03 1sjj h GLU 499 CO 0.13 0.00 -1.28 -2.13 -1.16 0.00 0.00 179.01 174.57 1sjj n ARG 500 N -2.94 0.54 0.24 2.33 0.63 -1.10 -4.16 116.66 112.20 1sjj n ARG 500 Ca -0.03 0.49 0.13 0.00 -0.92 0.00 0.00 57.85 57.52 1sjj n ARG 500 Cb 0.07 -1.67 0.45 0.00 0.45 0.00 0.00 32.46 31.75 1sjj n ARG 500 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 1sjj h THR 501 N -1.00 0.19 -0.37 5.15 1.35 -1.01 -0.67 112.91 116.55 1sjj h THR 501 Ca -0.30 -0.90 -0.01 0.00 -0.55 0.00 0.00 66.41 64.64 1sjj h THR 501 Cb 1.14 1.77 -0.02 0.00 -1.73 0.00 0.00 68.15 69.31 1sjj h THR 501 CO -0.18 0.08 0.18 -0.08 -0.25 0.00 0.00 175.52 175.27 1sjj h GLU 502 N 0.00 0.53 -0.50 4.72 4.22 -1.68 -2.74 114.58 119.12 1sjj h GLU 502 Ca -0.00 -0.07 -0.06 0.00 0.08 0.00 0.00 59.36 59.30 1sjj h GLU 502 Cb 0.76 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1sjj h GLU 502 CO 0.01 0.46 0.07 -0.22 -2.18 0.00 0.00 179.01 177.16 1sjj h LYS 503 N 0.46 0.83 -0.08 1.92 3.64 -1.31 0.11 116.57 122.13 1sjj h LYS 503 Ca 0.13 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1sjj h LYS 503 Cb 0.11 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1sjj h LYS 503 CO -0.02 0.83 0.04 -0.07 -2.27 0.00 0.00 179.45 177.97 1sjj h LEU 504 N 0.71 0.06 -1.41 5.20 3.38 -1.45 -1.91 115.31 119.89 1sjj h LEU 504 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1sjj h LEU 504 Cb 0.41 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1sjj h LEU 504 CO 0.01 0.05 0.00 -0.07 0.09 0.00 0.00 178.44 178.52 1sjj h LEU 505 N 0.09 0.00 0.15 1.67 3.38 -1.36 -0.81 115.31 118.44 1sjj h LEU 505 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1sjj h LEU 505 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1sjj h LEU 505 CO -0.02 0.00 -0.07 -0.33 0.09 0.00 0.00 178.44 178.10 1sjj h GLU 506 N 0.00 -0.20 -0.17 1.13 4.39 -0.64 -3.19 114.58 115.90 1sjj h GLU 506 Ca 0.00 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.77 1sjj h GLU 506 Cb 0.43 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.06 1sjj h GLU 506 CO 0.00 0.16 -0.26 1.15 -1.16 0.00 0.00 179.01 178.91 1sjj h THR 507 N -0.60 0.38 -0.73 1.13 2.02 -0.75 -1.49 112.91 112.87 1sjj h THR 507 Ca -0.02 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.29 1sjj h THR 507 Cb 0.45 0.38 -0.09 0.00 -1.74 0.00 0.00 68.15 67.15 1sjj h THR 507 CO 0.03 0.00 0.28 0.40 0.37 0.00 0.00 175.52 176.60 1sjj h ILE 508 N -0.30 0.66 0.59 3.11 2.04 -1.33 -1.44 117.51 120.84 1sjj h ILE 508 Ca 0.11 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 1sjj h ILE 508 Cb 0.47 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1sjj h ILE 508 CO -0.35 0.08 -0.30 -0.78 0.00 0.00 0.00 178.15 176.80 1sjj h ASP 509 N 0.42 -0.72 0.52 1.72 -0.00 -1.44 -2.38 116.42 114.54 1sjj h ASP 509 Ca 0.40 0.03 -0.01 0.00 -0.00 0.00 0.00 57.03 57.44 1sjj h ASP 509 Cb 0.59 0.19 -0.00 0.00 -0.00 0.00 0.00 39.33 40.11 1sjj h ASP 509 CO -0.40 -0.50 -0.05 1.56 -0.00 0.00 0.00 179.24 179.85 1sjj h GLN 510 N -0.81 0.00 0.04 0.28 1.08 -0.67 0.28 115.11 115.30 1sjj h GLN 510 Ca -0.08 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 56.79 1sjj h GLN 510 Cb 0.63 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.02 1sjj h GLN 510 CO 0.12 0.05 -1.91 1.28 -0.95 0.00 0.00 178.83 177.42 1sjj n LEU 511 N -3.29 1.48 -0.19 1.46 4.32 -0.60 -3.44 117.00 116.74 1sjj n LEU 511 Ca -0.01 0.28 0.09 0.00 -0.02 0.00 0.00 56.01 56.35 1sjj n LEU 511 Cb 0.23 -0.28 0.39 0.00 -1.62 0.00 0.00 43.42 42.14 1sjj n LEU 511 CO 0.27 0.58 1.21 1.88 -1.22 0.00 0.00 177.39 180.11 1sjj h TYR 512 N 0.02 0.71 0.02 -1.77 0.05 -1.02 -1.86 116.97 113.12 1sjj h TYR 512 Ca -0.37 0.02 0.03 0.00 0.05 0.00 0.00 58.73 58.46 1sjj h TYR 512 Cb 2.04 -0.23 -0.05 0.00 1.01 0.00 0.00 36.73 39.49 1sjj h TYR 512 CO 0.03 0.34 -0.40 1.25 -1.05 0.00 0.00 178.16 178.32 1sjj h LEU 513 N 0.67 -1.21 -0.67 3.88 5.85 -0.52 0.11 115.31 123.41 1sjj h LEU 513 Ca 0.35 0.15 -0.05 0.00 0.84 0.00 0.00 57.88 59.17 1sjj h LEU 513 Cb 0.46 0.47 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 1sjj h LEU 513 CO -0.13 -0.45 0.24 -0.33 -0.34 0.00 0.00 178.44 177.44 1sjj h GLU 514 N -0.57 1.02 -0.88 1.25 4.39 -1.52 0.19 114.58 118.47 1sjj h GLU 514 Ca 0.05 -0.20 0.12 0.00 0.34 0.00 0.00 59.36 59.67 1sjj h GLU 514 Cb 0.64 -0.16 -0.08 0.00 -0.10 0.00 0.00 28.75 29.05 1sjj h GLU 514 CO -0.30 0.87 0.50 -0.92 -1.16 0.00 0.00 179.01 178.00 1sjj h TYR 515 N 0.96 0.90 0.03 4.33 3.20 -1.24 -2.12 116.97 123.02 1sjj h TYR 515 Ca 0.22 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.12 1sjj h TYR 515 Cb 0.25 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.25 1sjj h TYR 515 CO 0.02 0.31 -0.01 0.00 -1.64 0.00 0.00 178.16 176.83 1sjj h ALA 516 N 1.52 -0.03 -0.65 1.82 0.00 -0.20 -1.82 119.26 119.89 1sjj h ALA 516 Ca 0.45 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.12 1sjj h ALA 516 Cb 0.52 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1sjj h ALA 516 CO -0.30 -0.36 0.09 -0.22 0.00 0.00 0.00 179.25 178.46 1sjj h LYS 517 N -0.35 1.09 0.16 0.00 3.64 -0.56 -3.19 116.57 117.36 1sjj h LYS 517 Ca -0.00 -0.30 -0.27 0.00 -1.27 0.00 0.00 60.65 58.81 1sjj h LYS 517 Cb 0.33 -0.12 0.02 0.00 -0.41 0.00 0.00 32.23 32.04 1sjj h LYS 517 CO 0.01 1.01 -1.26 0.00 -2.27 0.00 0.00 179.45 176.93 1sjj h ARG 518 N 1.01 0.35 -1.83 1.90 3.08 -1.50 -3.34 114.38 114.06 1sjj h ARG 518 Ca 0.20 -0.59 -0.23 0.00 0.07 0.00 0.00 59.98 59.43 1sjj h ARG 518 Cb 0.46 0.22 -0.09 0.00 0.08 0.00 0.00 29.97 30.64 1sjj h ARG 518 CO 0.02 1.28 0.15 0.00 -1.07 0.00 0.00 179.97 180.35 1sjj n ALA 519 N -2.80 5.19 -0.29 0.04 0.00 -0.68 -0.71 120.51 121.26 1sjj n ALA 519 Ca -0.19 -1.39 0.00 0.00 0.00 0.00 0.00 53.44 51.86 1sjj n ALA 519 Cb 0.94 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.85 1sjj n ALA 519 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sjj n ALA 520 N 1.15 1.98 0.00 0.00 0.00 -1.21 -4.47 120.51 117.96 1sjj n ALA 520 Ca 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1sjj n ALA 520 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1sjj n ALA 520 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1sjj n PRO 521 N -2.10 0.00 0.05 0.00 -0.02 -1.20 0.18 135.00 131.92 1sjj n PRO 521 Ca 0.00 0.45 0.11 0.00 -2.02 0.00 0.00 63.50 62.04 1sjj n PRO 521 Cb 0.00 -1.52 -0.02 0.00 -0.02 0.00 0.00 33.50 31.94 1sjj n PRO 521 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1sjj n PHE 522 N -1.45 0.50 0.03 6.00 7.35 0.11 -3.97 117.46 126.04 1sjj n PHE 522 Ca 0.00 0.14 -0.09 0.00 -0.76 0.00 0.00 57.45 56.75 1sjj n PHE 522 Cb 0.02 -0.66 -0.13 0.00 0.35 0.00 0.00 39.48 39.06 1sjj n PHE 522 CO 0.00 0.00 0.00 -0.97 -0.76 0.00 0.00 176.76 175.03 1sjj h ASN 523 N 0.00 0.04 0.06 -2.13 -1.24 -0.46 -3.31 115.58 108.55 1sjj h ASN 523 Ca 0.00 -0.06 -0.06 0.00 0.71 0.00 0.00 56.30 56.89 1sjj h ASN 523 Cb 0.89 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.91 1sjj h ASN 523 CO 0.00 1.05 -0.17 0.78 -1.29 0.00 0.00 177.43 177.80 1sjj h ASN 524 N 0.01 0.21 -0.24 1.15 4.21 -1.39 -2.97 115.58 116.55 1sjj h ASN 524 Ca -0.14 -0.05 -0.03 0.00 1.21 0.00 0.00 56.30 57.29 1sjj h ASN 524 Cb 1.89 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 39.03 1sjj h ASN 524 CO 0.11 0.40 0.02 -0.25 -1.29 0.00 0.00 177.43 176.42 1sjj h TRP 525 N 0.20 0.43 -0.51 1.19 7.01 -1.69 -0.61 115.95 121.97 1sjj h TRP 525 Ca 0.04 -0.07 -0.11 0.00 2.11 0.00 0.00 58.89 60.86 1sjj h TRP 525 Cb 0.43 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.35 1sjj h TRP 525 CO 0.01 0.55 -0.12 0.52 -2.79 0.00 0.00 178.44 176.60 1sjj h MET 526 N 0.19 0.97 -0.52 2.65 2.86 -1.69 0.36 114.93 119.76 1sjj h MET 526 Ca 0.07 -0.36 0.04 0.00 -2.06 0.00 0.00 59.70 57.39 1sjj h MET 526 Cb 0.36 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.91 1sjj h MET 526 CO 0.01 1.03 0.27 0.93 1.06 0.00 0.00 176.91 180.21 1sjj h GLU 527 N 0.86 0.51 -0.09 1.72 4.39 -1.42 -1.62 114.58 118.94 1sjj h GLU 527 Ca 0.13 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 1sjj h GLU 527 Cb 0.67 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1sjj h GLU 527 CO 0.05 0.34 -0.04 0.78 -1.16 0.00 0.00 179.01 178.97 1sjj h GLY 528 N 0.53 0.20 1.77 -3.84 0.00 -0.94 -2.84 103.07 97.95 1sjj h GLY 528 Ca 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1sjj h GLY 528 CO -0.15 0.16 0.08 0.00 0.00 0.00 0.00 176.54 176.63 1sjj n ALA 529 N -2.35 0.91 -0.04 3.60 0.00 0.12 -0.52 120.51 122.24 1sjj n ALA 529 Ca -0.07 0.13 0.03 0.00 0.00 0.00 0.00 53.44 53.53 1sjj n ALA 529 Cb 0.27 -1.09 -0.16 0.00 0.00 0.00 0.00 19.45 18.46 1sjj n ALA 529 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1sjj n MET 530 N -1.99 0.67 -0.02 0.00 2.00 -0.62 -3.68 117.12 113.48 1sjj n MET 530 Ca -0.01 -0.11 -0.13 0.00 0.00 0.00 0.00 57.70 57.44 1sjj n MET 530 Cb 0.10 -1.53 -0.14 0.00 0.00 0.00 0.00 33.22 31.65 1sjj n MET 530 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1sjj n GLU 531 N -2.46 0.68 0.34 0.03 -0.58 -0.29 -2.71 120.64 115.64 1sjj n GLU 531 Ca -0.15 0.27 -0.17 0.00 -0.42 0.00 0.00 57.16 56.68 1sjj n GLU 531 Cb 0.80 -1.75 -0.09 0.00 -0.57 0.00 0.00 31.44 29.83 1sjj n GLU 531 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1sjj h ASP 532 N 0.03 -0.72 0.58 1.62 3.32 -1.05 -2.54 116.42 117.65 1sjj h ASP 532 Ca -0.35 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 56.68 1sjj h ASP 532 Cb 2.03 0.19 -0.01 0.00 0.22 0.00 0.00 39.33 41.76 1sjj h ASP 532 CO 0.08 -0.51 -0.23 -0.07 -1.72 0.00 0.00 179.24 176.79 1sjj h LEU 533 N -0.83 0.00 -0.03 1.55 4.07 -1.74 -3.15 115.31 115.17 1sjj h LEU 533 Ca -0.08 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.84 1sjj h LEU 533 Cb 0.64 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.39 1sjj h LEU 533 CO 0.13 0.23 -0.14 1.56 -1.08 0.00 0.00 178.44 179.14 1sjj h GLN 534 N 0.00 0.15 0.00 1.13 1.08 -1.53 -3.47 115.11 112.46 1sjj h GLN 534 Ca -0.00 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 1sjj h GLN 534 Cb 0.58 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 1sjj h GLN 534 CO 0.03 0.78 0.00 -3.47 -0.95 0.00 0.00 178.83 175.22 1sjj n ASP 535 N -4.61 0.00 -4.64 1.46 2.03 -0.96 -4.83 116.55 105.00 1sjj n ASP 535 Ca -0.09 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.79 1sjj n ASP 535 Cb 0.41 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.79 1sjj n ASP 535 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1sjj s THR 536 N 0.00 4.05 0.18 5.18 -4.23 -1.26 -5.00 115.64 114.56 1sjj s THR 536 Ca 0.00 1.20 0.08 0.00 -1.18 0.00 0.00 61.69 61.79 1sjj s THR 536 Cb 0.00 -4.02 -0.04 0.00 1.34 0.00 0.00 72.50 69.78 1sjj s THR 536 CO 0.00 -0.37 -0.00 0.72 -0.54 0.00 0.00 174.62 174.42 1sjj s PHE 537 N 4.42 2.82 0.09 3.99 -0.12 -1.26 -5.13 117.98 122.79 1sjj s PHE 537 Ca 0.60 -0.15 0.05 0.00 -0.05 0.00 0.00 56.93 57.38 1sjj s PHE 537 Cb -0.20 -1.36 -0.03 0.00 -0.63 0.00 0.00 43.02 40.80 1sjj s PHE 537 CO 0.23 0.52 -0.13 -1.50 -0.05 0.00 0.00 175.22 174.29 1sjj s ILE 538 N -1.78 1.13 -0.08 -4.49 2.07 -1.26 -5.15 121.20 111.65 1sjj s ILE 538 Ca 0.28 -1.47 -0.04 0.00 -1.41 0.00 0.00 60.65 58.00 1sjj s ILE 538 Cb -0.09 -1.24 0.04 0.00 0.13 0.00 0.00 42.46 41.30 1sjj s ILE 538 CO 0.19 -0.34 0.18 0.68 -1.91 0.00 0.00 174.94 173.74 1sjj s VAL 539 N -1.72 -0.04 -0.02 4.00 -7.23 -1.26 -4.98 120.40 109.15 1sjj s VAL 539 Ca 0.02 0.16 -0.03 0.00 -1.81 0.00 0.00 61.98 60.32 1sjj s VAL 539 Cb -0.07 -0.29 -0.28 0.00 0.56 0.00 0.00 36.38 36.30 1sjj s VAL 539 CO 0.02 0.07 0.76 0.45 -0.31 0.00 0.00 175.10 176.09 1sjj h HIS 540 N 7.19 0.46 0.00 2.82 3.86 -2.01 -3.48 115.15 123.99 1sjj h HIS 540 Ca -0.42 -0.34 0.00 0.00 -1.16 0.00 0.00 60.37 58.46 1sjj h HIS 540 Cb 1.15 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.60 1sjj h HIS 540 CO 0.40 1.44 0.00 0.25 0.86 0.00 0.00 177.93 180.89 1sjj n THR 541 N -3.44 0.00 0.00 2.45 -2.24 -1.26 -5.09 114.28 104.69 1sjj n THR 541 Ca -0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1sjj n THR 541 Cb 1.05 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 1sjj n THR 541 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1sjj n ILE 542 N 0.00 0.00 -0.16 2.28 5.41 -1.26 -4.83 119.36 120.80 1sjj n ILE 542 Ca 0.00 0.13 -0.03 0.00 1.00 0.00 0.00 62.75 63.85 1sjj n ILE 542 Cb 0.00 -1.01 -0.02 0.00 -0.71 0.00 0.00 39.64 37.91 1sjj n ILE 542 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1sjj n GLU 543 N -1.82 -0.14 -0.36 0.38 -0.58 -1.26 -0.00 120.64 116.87 1sjj n GLU 543 Ca 0.00 0.58 0.30 0.00 -0.42 0.00 0.00 57.16 57.62 1sjj n GLU 543 Cb 0.00 -0.86 0.49 0.00 -0.57 0.00 0.00 31.44 30.50 1sjj n GLU 543 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1sjj n GLU 544 N -4.51 -0.02 0.17 3.49 0.00 -1.26 -0.48 120.64 118.04 1sjj n GLU 544 Ca 0.02 0.86 0.12 0.00 0.00 0.00 0.00 57.16 58.16 1sjj n GLU 544 Cb 0.12 -1.73 0.12 0.00 0.00 0.00 0.00 31.44 29.94 1sjj n GLU 544 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.13 178.10 1sjj h ILE 545 N 0.00 0.00 -0.34 3.84 6.09 -0.75 -3.37 117.51 122.98 1sjj h ILE 545 Ca 0.62 -0.97 -0.05 0.00 -1.37 0.00 0.00 64.86 63.09 1sjj h ILE 545 Cb 2.09 1.79 -0.02 0.00 0.47 0.00 0.00 36.82 41.15 1sjj h ILE 545 CO -0.28 0.00 -0.02 1.56 -3.07 0.00 0.00 178.15 176.34 1sjj h GLN 546 N 0.00 0.54 -0.56 2.19 1.08 -0.91 -0.14 115.11 117.31 1sjj h GLN 546 Ca 0.00 -0.12 0.06 0.00 -1.45 0.00 0.00 58.65 57.13 1sjj h GLN 546 Cb 0.99 -0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 28.29 1sjj h GLN 546 CO 0.00 0.58 0.27 0.78 -0.95 0.00 0.00 178.83 179.51 1sjj h GLY 547 N 0.86 0.79 1.28 3.46 0.00 -1.72 -0.13 103.07 107.61 1sjj h GLY 547 Ca 0.11 -0.18 -0.21 0.00 0.00 0.00 0.00 47.33 47.04 1sjj h GLY 547 CO 0.01 0.10 -0.76 1.41 0.00 0.00 0.00 176.54 177.31 1sjj h LEU 548 N 0.52 0.84 -0.34 3.11 4.07 -1.32 -1.61 115.31 120.58 1sjj h LEU 548 Ca 0.25 -0.54 0.03 0.00 0.08 0.00 0.00 57.88 57.70 1sjj h LEU 548 Cb 0.19 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 41.65 1sjj h LEU 548 CO -0.19 1.33 0.14 0.74 -1.08 0.00 0.00 178.44 179.38 1sjj h THR 549 N 0.48 0.93 0.20 0.22 2.02 -1.11 -3.08 112.91 112.58 1sjj h THR 549 Ca -0.04 -0.10 0.01 0.00 0.77 0.00 0.00 66.41 67.04 1sjj h THR 549 Cb 1.37 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 1sjj h THR 549 CO 0.15 0.05 -0.26 0.74 0.37 0.00 0.00 175.52 176.58 1sjj h THR 550 N 0.30 0.45 0.00 3.16 2.02 -0.86 -2.66 112.91 115.31 1sjj h THR 550 Ca 0.15 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.32 1sjj h THR 550 Cb 0.10 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1sjj h THR 550 CO -0.14 0.00 -0.03 0.00 0.37 0.00 0.00 175.52 175.72 1sjj h ALA 551 N 0.17 1.37 -0.07 6.16 0.00 -1.33 -0.35 119.26 125.19 1sjj h ALA 551 Ca 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1sjj h ALA 551 Cb 0.50 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1sjj h ALA 551 CO -0.09 0.04 -0.03 1.25 0.00 0.00 0.00 179.25 180.42 1sjj h HIS 552 N 0.00 0.17 -0.73 0.00 2.76 -1.41 0.11 115.15 116.05 1sjj h HIS 552 Ca -0.00 -0.04 0.15 0.00 -2.20 0.00 0.00 60.37 58.28 1sjj h HIS 552 Cb 0.10 -0.04 -0.10 0.00 1.55 0.00 0.00 27.41 28.92 1sjj h HIS 552 CO 0.00 0.50 0.25 0.93 -1.30 0.00 0.00 177.93 178.31 1sjj h GLU 553 N -0.21 0.36 -0.55 5.26 4.39 -0.77 -0.44 114.58 122.62 1sjj h GLU 553 Ca 0.02 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 1sjj h GLU 553 Cb 0.45 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 1sjj h GLU 553 CO 0.01 0.24 0.25 1.96 -1.16 0.00 0.00 179.01 180.31 1sjj h GLN 554 N 0.37 0.80 -0.43 2.33 1.08 -1.24 -2.87 115.11 115.15 1sjj h GLN 554 Ca 0.41 -0.13 -0.03 0.00 -1.45 0.00 0.00 58.65 57.45 1sjj h GLN 554 Cb 0.65 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.92 1sjj h GLN 554 CO -0.44 0.67 0.15 0.35 -0.95 0.00 0.00 178.83 178.61 1sjj h PHE 555 N 0.75 0.67 -1.01 2.96 3.57 -0.12 -2.26 116.94 121.50 1sjj h PHE 555 Ca 0.19 -0.06 0.25 0.00 3.53 0.00 0.00 57.97 61.88 1sjj h PHE 555 Cb 0.14 -0.20 -0.08 0.00 2.79 0.00 0.00 35.95 38.60 1sjj h PHE 555 CO -0.00 0.60 0.66 0.87 -2.23 0.00 0.00 178.31 178.21 1sjj h LYS 556 N 0.55 0.36 0.00 1.11 1.57 -1.07 -1.01 116.57 118.08 1sjj h LYS 556 Ca 0.14 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1sjj h LYS 556 Cb 0.23 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1sjj h LYS 556 CO -0.01 0.24 0.00 0.00 -0.57 0.00 0.00 179.45 179.11 1sjj h ALA 557 N 1.60 1.00 0.00 3.86 0.00 -1.18 -3.21 119.26 121.34 1sjj h ALA 557 Ca 0.56 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.28 1sjj h ALA 557 Cb 1.46 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 1sjj h ALA 557 CO -0.24 0.00 -1.13 1.79 0.00 0.00 0.00 179.25 179.67 1sjj h THR 558 N 0.00 0.90 -0.63 0.00 1.35 -1.15 -3.37 112.91 110.02 1sjj h THR 558 Ca 0.00 -2.47 0.13 0.00 -0.55 0.00 0.00 66.41 63.52 1sjj h THR 558 Cb 0.41 2.37 -0.10 0.00 -1.73 0.00 0.00 68.15 69.10 1sjj h THR 558 CO 0.00 0.51 0.03 -0.07 -0.25 0.00 0.00 175.52 175.74 1sjj h LEU 559 N 0.00 -0.23 0.00 3.87 3.38 -1.59 -0.96 115.31 119.78 1sjj h LEU 559 Ca -0.11 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1sjj h LEU 559 Cb 1.64 0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.65 1sjj h LEU 559 CO 0.07 -0.10 0.00 -0.81 0.09 0.00 0.00 178.44 177.69 1sjj n PRO 560 N -5.26 0.05 -0.09 1.13 -0.04 -1.26 -0.76 135.00 128.77 1sjj n PRO 560 Ca 0.09 0.28 -0.16 0.00 -0.04 0.00 0.00 63.50 63.68 1sjj n PRO 560 Cb 0.36 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.25 1sjj n PRO 560 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1sjj n ASP 561 N -1.42 1.84 0.14 3.54 5.68 -0.47 -4.16 116.55 121.71 1sjj n ASP 561 Ca 0.03 0.50 -0.01 0.00 -0.50 0.00 0.00 54.79 54.81 1sjj n ASP 561 Cb 0.10 -0.92 0.24 0.00 -1.14 0.00 0.00 41.12 39.39 1sjj n ASP 561 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1sjj h ALA 562 N -0.70 1.13 -0.21 2.12 0.00 -1.15 0.20 119.26 120.65 1sjj h ALA 562 Ca -0.23 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.06 1sjj h ALA 562 Cb 1.02 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1sjj h ALA 562 CO -0.14 0.62 -0.54 0.22 0.00 0.00 0.00 179.25 179.41 1sjj h ASP 563 N 0.07 0.70 -0.20 0.00 1.82 -1.18 -2.14 116.42 115.48 1sjj h ASP 563 Ca 0.00 -0.37 -0.06 0.00 -0.39 0.00 0.00 57.03 56.21 1sjj h ASP 563 Cb 0.88 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 40.68 1sjj h ASP 563 CO 0.07 1.10 -0.04 0.50 -1.61 0.00 0.00 179.24 179.25 1sjj h LYS 564 N 0.48 0.53 -0.81 0.28 3.64 -1.47 0.18 116.57 119.40 1sjj h LYS 564 Ca 0.01 -0.13 0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1sjj h LYS 564 Cb 1.10 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.80 1sjj h LYS 564 CO 0.11 0.59 0.53 0.93 -2.27 0.00 0.00 179.45 179.33 1sjj h GLU 565 N 0.50 1.02 -0.61 1.90 4.39 -0.90 -2.66 114.58 118.21 1sjj h GLU 565 Ca 0.10 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1sjj h GLU 565 Cb 0.39 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 1sjj h GLU 565 CO 0.02 0.67 0.35 -0.09 -1.16 0.00 0.00 179.01 178.80 1sjj h ARG 566 N 1.05 0.84 -0.28 2.33 2.43 -0.63 0.15 114.38 120.26 1sjj h ARG 566 Ca 0.31 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1sjj h ARG 566 Cb -0.04 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.34 1sjj h ARG 566 CO -0.10 0.62 0.00 1.04 -1.51 0.00 0.00 179.97 180.02 1sjj n GLN 567 N -4.59 0.62 0.01 0.20 1.13 0.54 -2.06 117.38 113.23 1sjj n GLN 567 Ca 0.04 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.07 1sjj n GLN 567 Cb 0.07 -1.14 -0.01 0.00 0.11 0.00 0.00 30.24 29.27 1sjj n GLN 567 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1sjj n ALA 568 N -0.19 2.52 -0.20 -1.58 0.00 -0.72 -4.78 120.51 115.56 1sjj n ALA 568 Ca 0.00 -0.20 -0.08 0.00 0.00 0.00 0.00 53.44 53.16 1sjj n ALA 568 Cb 0.07 0.23 -0.06 0.00 0.00 0.00 0.00 19.45 19.69 1sjj n ALA 568 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1sjj h ILE 569 N -0.23 0.00 -0.99 0.00 2.04 -0.54 -0.60 117.51 117.20 1sjj h ILE 569 Ca -0.02 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.99 1sjj h ILE 569 Cb 0.35 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.34 1sjj h ILE 569 CO -0.01 0.00 0.62 -0.07 0.00 0.00 0.00 178.15 178.69 1sjj h LEU 570 N -0.11 0.83 -1.23 1.44 4.07 -1.68 -1.66 115.31 116.98 1sjj h LEU 570 Ca 0.08 0.06 0.09 0.00 0.08 0.00 0.00 57.88 58.19 1sjj h LEU 570 Cb 0.31 -0.10 -0.06 0.00 1.08 0.00 0.00 40.66 41.89 1sjj h LEU 570 CO -0.51 0.39 0.56 1.23 -1.08 0.00 0.00 178.44 179.03 1sjj h GLY 571 N 0.86 1.22 1.16 0.83 0.00 -1.34 0.25 103.07 106.05 1sjj h GLY 571 Ca 0.52 -0.36 -0.23 0.00 0.00 0.00 0.00 47.33 47.26 1sjj h GLY 571 CO -0.29 0.22 -0.81 -2.22 0.00 0.00 0.00 176.54 173.44 1sjj h ILE 572 N 0.88 1.28 -0.96 2.60 2.04 -0.28 -1.61 117.51 121.46 1sjj h ILE 572 Ca 0.39 -2.02 0.01 0.00 1.00 0.00 0.00 64.86 64.24 1sjj h ILE 572 Cb 0.35 2.08 -0.05 0.00 -0.74 0.00 0.00 36.82 38.46 1sjj h ILE 572 CO -0.16 0.63 0.63 -0.74 0.00 0.00 0.00 178.15 178.52 1sjj h HIS 573 N 0.48 1.20 -0.50 1.37 2.76 -1.28 -2.44 115.15 116.74 1sjj h HIS 573 Ca -0.07 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.17 1sjj h HIS 573 Cb 1.45 -0.41 -0.04 0.00 1.55 0.00 0.00 27.41 29.96 1sjj h HIS 573 CO 0.09 0.75 0.26 -0.91 -1.30 0.00 0.00 177.93 176.83 1sjj h ASN 574 N 1.29 0.39 -0.32 3.26 -0.26 -0.30 -2.64 115.58 117.00 1sjj h ASN 574 Ca 0.35 0.02 -0.09 0.00 -0.56 0.00 0.00 56.30 56.02 1sjj h ASN 574 Cb -0.14 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.06 1sjj h ASN 574 CO -0.08 0.27 -0.16 -0.08 -1.06 0.00 0.00 177.43 176.33 1sjj h GLU 575 N 0.52 0.67 -0.74 0.81 4.22 -1.12 -1.70 114.58 117.24 1sjj h GLU 575 Ca 0.22 -0.29 0.12 0.00 0.08 0.00 0.00 59.36 59.48 1sjj h GLU 575 Cb 0.10 -0.02 -0.13 0.00 0.50 0.00 0.00 28.75 29.21 1sjj h GLU 575 CO -0.14 0.89 -0.39 0.28 -2.18 0.00 0.00 179.01 177.47 1sjj h VAL 576 N 0.44 0.09 -0.51 0.32 2.07 -1.42 -0.39 116.25 116.85 1sjj h VAL 576 Ca 0.07 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.66 1sjj h VAL 576 Cb 0.69 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 1sjj h VAL 576 CO 0.05 0.00 0.18 0.28 0.02 0.00 0.00 177.57 178.10 1sjj h SER 577 N -0.12 0.19 -0.50 0.57 0.02 -1.28 -2.96 113.55 109.46 1sjj h SER 577 Ca 0.25 0.06 -0.11 0.00 -0.84 0.00 0.00 61.79 61.16 1sjj h SER 577 Cb 0.56 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 1sjj h SER 577 CO -0.79 0.13 -0.09 0.50 -1.14 0.00 0.00 176.83 175.44 1sjj h LYS 578 N 0.36 0.98 -0.59 3.45 3.64 -0.76 -3.27 116.57 120.38 1sjj h LYS 578 Ca 0.24 -0.34 0.03 0.00 -1.27 0.00 0.00 60.65 59.31 1sjj h LYS 578 Cb 0.26 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.97 1sjj h LYS 578 CO -0.25 1.02 0.35 0.82 -2.27 0.00 0.00 179.45 179.12 1sjj h ILE 579 N 0.88 1.04 -0.01 2.00 1.08 -0.92 -2.84 117.51 118.74 1sjj h ILE 579 Ca 0.14 -0.23 -0.00 0.00 -0.39 0.00 0.00 64.86 64.38 1sjj h ILE 579 Cb 0.64 0.30 -0.00 0.00 -3.07 0.00 0.00 36.82 34.69 1sjj h ILE 579 CO 0.04 0.12 0.00 -0.37 -0.69 0.00 0.00 178.15 177.26 1sjj h VAL 580 N 0.68 1.19 -0.80 1.67 -1.51 -1.63 -3.33 116.25 112.51 1sjj h VAL 580 Ca 0.24 -0.55 0.02 0.00 -1.23 0.00 0.00 66.70 65.19 1sjj h VAL 580 Cb 0.06 1.54 -0.04 0.00 -2.13 0.00 0.00 31.29 30.72 1sjj h VAL 580 CO -0.12 0.14 0.53 -0.61 -1.23 0.00 0.00 177.57 176.29 1sjj h GLN 581 N -0.22 1.00 0.00 5.19 -0.00 -1.58 -2.34 115.11 117.16 1sjj h GLN 581 Ca 0.00 -0.06 -0.00 0.00 -0.00 0.00 0.00 58.65 58.59 1sjj h GLN 581 Cb 0.23 -0.23 -0.00 0.00 0.00 0.00 0.00 27.48 27.49 1sjj h GLN 581 CO 0.00 0.66 -0.01 1.79 0.00 0.00 0.00 178.83 181.27 1sjj h THR 582 N 1.03 0.17 0.00 2.39 1.35 -1.61 -3.26 112.91 112.99 1sjj h THR 582 Ca 0.31 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 66.05 1sjj h THR 582 Cb -0.03 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.49 1sjj h THR 582 CO -0.08 0.01 0.00 -1.22 -0.25 0.00 0.00 175.52 173.98 1sjj n TYR 583 N -3.30 0.00 -1.02 4.73 4.01 -0.89 -5.02 117.16 115.66 1sjj n TYR 583 Ca -0.02 -0.14 -0.01 0.00 -0.16 0.00 0.00 57.90 57.56 1sjj n TYR 583 Cb 0.12 -0.01 -0.00 0.00 -0.31 0.00 0.00 39.34 39.13 1sjj n TYR 583 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1sjj n HIS 584 N -0.14 -0.00 -1.55 -0.72 8.25 -1.15 -4.99 115.22 114.91 1sjj n HIS 584 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.15 1sjj n HIS 584 Cb 0.13 -2.06 0.05 0.00 1.12 0.00 0.00 29.99 29.23 1sjj n HIS 584 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1sjj s VAL 585 N -1.08 3.92 0.00 1.59 1.01 -1.26 -5.06 120.40 119.53 1sjj s VAL 585 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.62 1sjj s VAL 585 Cb 0.00 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.05 1sjj s VAL 585 CO 0.00 -0.80 0.00 0.59 0.00 0.00 0.00 175.10 174.89 1sjj n ASN 586 N -3.13 0.00 -0.79 3.32 3.02 -1.11 -4.88 115.26 111.69 1sjj n ASN 586 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1sjj n ASN 586 Cb 0.53 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 1sjj n ASN 586 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1sjj n MET 587 N 0.00 -2.18 -2.87 3.52 0.00 -1.26 -5.03 117.12 109.29 1sjj n MET 587 Ca 0.00 1.58 -0.29 0.00 -0.00 0.00 0.00 57.70 58.99 1sjj n MET 587 Cb 0.00 -1.73 -0.02 0.00 0.00 0.00 0.00 33.22 31.47 1sjj n MET 587 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1sjj s ALA 588 N -1.38 3.42 -1.52 -5.12 0.00 -1.26 -4.96 121.76 110.93 1sjj s ALA 588 Ca 0.00 -0.37 -0.12 0.00 0.00 0.00 0.00 51.96 51.47 1sjj s ALA 588 Cb 0.00 -2.59 -0.04 0.00 0.00 0.00 0.00 23.12 20.50 1sjj s ALA 588 CO 0.00 -0.08 2.62 0.41 0.00 0.00 0.00 175.76 178.71 1sjj n GLY 589 N -1.56 4.26 2.95 0.00 0.00 -1.26 -4.84 105.19 104.74 1sjj n GLY 589 Ca 0.01 -1.52 -0.14 0.00 0.00 0.00 0.00 46.02 44.37 1sjj n GLY 589 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sjj s THR 590 N 2.69 0.30 -0.39 2.61 -4.23 -1.26 -5.11 115.64 110.25 1sjj s THR 590 Ca 0.59 -0.30 -0.14 0.00 -1.18 0.00 0.00 61.69 60.67 1sjj s THR 590 Cb 0.16 -0.28 0.02 0.00 1.34 0.00 0.00 72.50 73.74 1sjj s THR 590 CO -0.07 -0.00 0.27 0.21 -0.54 0.00 0.00 174.62 174.49 1sjj s ASN 591 N -0.33 6.01 0.00 3.99 3.04 -1.26 -4.97 114.94 121.42 1sjj s ASN 591 Ca -0.01 -0.87 0.27 0.00 0.04 0.00 0.00 52.86 52.29 1sjj s ASN 591 Cb -0.03 -2.12 0.87 0.00 -1.54 0.00 0.00 41.25 38.43 1sjj s ASN 591 CO -0.00 -0.41 1.65 -0.81 -3.04 0.00 0.00 177.10 174.49 1sjj n PRO 592 N 5.11 0.42 -0.05 0.43 -0.04 -1.26 -4.39 135.00 135.22 1sjj n PRO 592 Ca -0.11 -0.20 -0.09 0.00 -0.04 0.00 0.00 63.50 63.06 1sjj n PRO 592 Cb 0.47 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.29 1sjj n PRO 592 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1sjj n TYR 593 N -1.12 0.61 -4.75 0.54 4.01 -1.26 -4.86 117.16 110.33 1sjj n TYR 593 Ca 0.10 0.22 -0.34 0.00 -0.16 0.00 0.00 57.90 57.72 1sjj n TYR 593 Cb 0.32 -1.11 -0.07 0.00 -0.31 0.00 0.00 39.34 38.17 1sjj n TYR 593 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 1sjj s THR 594 N -2.55 1.03 -0.06 -0.72 -1.32 -1.26 -4.93 115.64 105.83 1sjj s THR 594 Ca -0.07 -1.98 -0.20 0.00 -1.21 0.00 0.00 61.69 58.23 1sjj s THR 594 Cb 0.07 -2.01 -0.31 0.00 -1.51 0.00 0.00 72.50 68.75 1sjj s THR 594 CO 0.82 0.00 0.82 0.71 -2.21 0.00 0.00 174.62 174.76 1sjj h THR 595 N 1.24 1.38 -3.99 5.08 1.35 -1.89 -3.46 112.91 112.62 1sjj h THR 595 Ca -0.44 -2.52 -0.42 0.00 -0.55 0.00 0.00 66.41 62.48 1sjj h THR 595 Cb 1.33 3.07 0.16 0.00 -1.73 0.00 0.00 68.15 70.98 1sjj h THR 595 CO 0.72 0.72 0.38 2.30 -0.25 0.00 0.00 175.52 179.39 1sjj n ILE 596 N -4.05 0.00 -4.14 6.82 -5.35 -1.26 -5.02 119.36 106.35 1sjj n ILE 596 Ca -0.17 -1.02 -0.09 0.00 -0.27 0.00 0.00 62.75 61.20 1sjj n ILE 596 Cb 0.86 -1.45 -0.10 0.00 -1.74 0.00 0.00 39.64 37.21 1sjj n ILE 596 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 1sjj s THR 597 N -3.74 0.49 -1.16 7.28 -1.32 -1.26 -4.92 115.64 111.01 1sjj s THR 597 Ca 0.72 -1.89 0.14 0.00 -1.21 0.00 0.00 61.69 59.45 1sjj s THR 597 Cb -0.02 -1.67 0.16 0.00 -1.51 0.00 0.00 72.50 69.46 1sjj s THR 597 CO 0.50 -0.87 1.41 -2.65 -2.21 0.00 0.00 174.62 170.80 1sjj n PRO 598 N -0.00 0.07 0.03 7.08 -0.02 -1.26 -3.66 135.00 137.24 1sjj n PRO 598 Ca -0.12 0.23 -0.11 0.00 -2.02 0.00 0.00 63.50 61.47 1sjj n PRO 598 Cb 0.61 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.51 1sjj n PRO 598 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1sjj h GLN 599 N 0.00 -0.15 0.00 -0.52 1.08 -1.99 -0.44 115.11 113.08 1sjj h GLN 599 Ca 0.00 0.01 -0.12 0.00 -1.45 0.00 0.00 58.65 57.09 1sjj h GLN 599 Cb 0.19 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.64 1sjj h GLN 599 CO 0.00 0.33 -0.71 1.05 -0.95 0.00 0.00 178.83 178.55 1sjj h GLU 600 N -0.81 0.00 -0.44 1.46 9.09 -2.01 -3.10 114.58 118.77 1sjj h GLU 600 Ca -0.02 0.00 0.08 0.00 0.05 0.00 0.00 59.36 59.47 1sjj h GLU 600 Cb 0.56 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.59 1sjj h GLU 600 CO 0.03 0.50 0.02 0.82 0.05 0.00 0.00 179.01 180.42 1sjj h ILE 601 N 0.00 0.68 0.00 -1.06 1.08 -1.63 -1.14 117.51 115.44 1sjj h ILE 601 Ca -0.03 -0.05 -0.09 0.00 -0.39 0.00 0.00 64.86 64.30 1sjj h ILE 601 Cb 1.45 0.54 -0.01 0.00 -3.07 0.00 0.00 36.82 35.72 1sjj h ILE 601 CO 0.07 0.02 -0.45 -1.13 -0.69 0.00 0.00 178.15 175.98 1sjj h ASN 602 N 0.13 0.00 -0.02 1.72 -1.24 -1.06 -1.94 115.58 113.17 1sjj h ASN 602 Ca 0.22 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.23 1sjj h ASN 602 Cb 0.31 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.36 1sjj h ASN 602 CO -0.35 0.45 0.01 1.23 -1.29 0.00 0.00 177.43 177.47 1sjj h GLY 603 N 1.63 0.03 0.28 1.57 0.00 -1.38 -2.64 103.07 102.57 1sjj h GLY 603 Ca -0.00 -0.02 0.17 0.00 0.00 0.00 0.00 47.33 47.48 1sjj h GLY 603 CO 0.06 0.01 0.61 0.50 0.00 0.00 0.00 176.54 177.73 1sjj h LYS 604 N -0.10 0.77 0.16 4.80 1.57 -0.87 0.22 116.57 123.12 1sjj h LYS 604 Ca 0.01 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1sjj h LYS 604 Cb 0.13 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1sjj h LYS 604 CO -0.00 0.51 -0.12 2.35 -0.57 0.00 0.00 179.45 181.61 1sjj h TRP 605 N 0.79 -0.32 0.00 -1.35 2.91 -1.12 0.10 115.95 116.96 1sjj h TRP 605 Ca 0.53 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.55 1sjj h TRP 605 Cb 0.79 0.12 0.00 0.00 -0.51 0.00 0.00 29.16 29.56 1sjj h TRP 605 CO -0.00 -0.19 0.00 0.93 -1.03 0.00 0.00 178.44 178.14 1sjj h GLU 606 N -0.30 0.00 0.63 2.65 4.39 -0.98 -0.37 114.58 120.60 1sjj h GLU 606 Ca -0.01 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1sjj h GLU 606 Cb 0.26 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1sjj h GLU 606 CO -0.01 0.00 -0.30 0.45 -1.16 0.00 0.00 179.01 177.99 1sjj h HIS 607 N 0.00 -0.78 -0.75 4.33 3.86 -0.41 -0.64 115.15 120.75 1sjj h HIS 607 Ca 0.00 -0.02 0.21 0.00 -1.16 0.00 0.00 60.37 59.40 1sjj h HIS 607 Cb 0.65 0.26 -0.04 0.00 1.06 0.00 0.00 27.41 29.35 1sjj h HIS 607 CO 0.00 -0.47 0.53 0.28 0.86 0.00 0.00 177.93 179.13 1sjj h VAL 608 N -0.89 0.65 0.00 2.45 2.07 -0.77 0.98 116.25 120.75 1sjj h VAL 608 Ca -0.09 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1sjj h VAL 608 Cb 0.66 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1sjj h VAL 608 CO 0.14 0.02 -0.26 -0.09 0.02 0.00 0.00 177.57 177.40 1sjj h ARG 609 N 0.09 0.00 0.06 1.57 2.43 -0.97 -1.79 114.38 115.76 1sjj h ARG 609 Ca 0.37 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 59.26 1sjj h ARG 609 Cb 1.32 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.90 1sjj h ARG 609 CO -0.04 0.02 -1.13 0.37 -1.51 0.00 0.00 179.97 177.69 1sjj h GLN 610 N 0.00 0.66 0.57 0.20 -0.00 0.66 -3.38 115.11 113.82 1sjj h GLN 610 Ca -0.00 -0.79 -0.03 0.00 -0.00 0.00 0.00 58.65 57.83 1sjj h GLN 610 Cb 1.02 0.24 0.01 0.00 0.00 0.00 0.00 27.48 28.75 1sjj h GLN 610 CO 0.00 1.35 -0.27 -0.07 0.00 0.00 0.00 178.83 179.84 1sjj h LEU 611 N 0.32 -0.65 -0.05 -2.39 3.38 -0.76 -3.09 115.31 112.09 1sjj h LEU 611 Ca -0.16 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1sjj h LEU 611 Cb 1.79 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.70 1sjj h LEU 611 CO 0.22 -0.29 -0.03 0.58 0.09 0.00 0.00 178.44 179.01 1sjj h VAL 612 N -1.05 0.00 0.00 1.22 2.07 -1.53 -0.33 116.25 116.63 1sjj h VAL 612 Ca -0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1sjj h VAL 612 Cb 0.65 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1sjj h VAL 612 CO 0.13 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.91 1sjj n PRO 613 N -3.08 0.47 -0.06 1.57 -0.04 -1.26 -0.82 135.00 131.78 1sjj n PRO 613 Ca 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 1sjj n PRO 613 Cb 0.01 -1.03 -0.10 0.00 -0.04 0.00 0.00 33.50 32.34 1sjj n PRO 613 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1sjj n ARG 614 N -0.40 1.81 -0.06 0.54 0.63 -0.72 -4.64 116.66 113.82 1sjj n ARG 614 Ca 0.00 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.84 1sjj n ARG 614 Cb 0.02 -1.33 -0.15 0.00 0.45 0.00 0.00 32.46 31.45 1sjj n ARG 614 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 1sjj n ARG 615 N -2.51 0.66 -0.27 -0.14 0.00 -0.00 -2.79 116.66 111.60 1sjj n ARG 615 Ca -0.21 0.16 -0.02 0.00 -0.00 0.00 0.00 57.85 57.78 1sjj n ARG 615 Cb 0.91 -1.67 0.10 0.00 0.00 0.00 0.00 32.46 31.79 1sjj n ARG 615 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.63 178.01 1sjj h ASP 616 N 0.00 0.77 -1.03 6.15 2.03 -1.63 0.12 116.42 122.84 1sjj h ASP 616 Ca -0.40 0.00 0.28 0.00 -0.73 0.00 0.00 57.03 56.17 1sjj h ASP 616 Cb 2.11 -0.16 -0.07 0.00 -0.83 0.00 0.00 39.33 40.38 1sjj h ASP 616 CO 0.06 0.53 0.70 -0.61 -1.03 0.00 0.00 179.24 178.88 1sjj h GLN 617 N 0.92 0.22 0.00 4.15 -0.00 -1.82 0.56 115.11 119.13 1sjj h GLN 617 Ca 0.31 -0.01 -0.06 0.00 -0.00 0.00 0.00 58.65 58.89 1sjj h GLN 617 Cb 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 27.47 1sjj h GLN 617 CO -0.12 0.14 -0.94 0.00 0.00 0.00 0.00 178.83 177.91 1sjj h ALA 618 N 1.55 0.63 0.13 3.38 0.00 -0.75 0.10 119.26 124.30 1sjj h ALA 618 Ca 0.54 -0.29 -0.29 0.00 0.00 0.00 0.00 54.91 54.86 1sjj h ALA 618 Cb 1.68 0.07 0.02 0.00 0.00 0.00 0.00 17.79 19.57 1sjj h ALA 618 CO -0.15 0.33 -1.24 -0.07 0.00 0.00 0.00 179.25 178.11 1sjj h LEU 619 N 0.00 0.77 0.00 0.00 -0.00 -0.49 -3.07 115.31 112.53 1sjj h LEU 619 Ca -0.05 -0.73 0.00 0.00 -0.00 0.00 0.00 57.88 57.10 1sjj h LEU 619 Cb 1.21 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 41.62 1sjj h LEU 619 CO 0.02 1.54 0.00 0.80 -0.00 0.00 0.00 178.44 180.80 1sjj n MET 620 N -3.74 0.10 0.25 1.13 1.56 0.19 -0.87 117.12 115.74 1sjj n MET 620 Ca -0.13 0.24 0.13 0.00 -0.27 0.00 0.00 57.70 57.67 1sjj n MET 620 Cb 0.99 -1.50 0.54 0.00 2.15 0.00 0.00 33.22 35.40 1sjj n MET 620 CO 0.00 0.00 0.00 0.93 -0.73 0.00 0.00 175.97 176.17 1sjj h GLU 621 N 0.00 0.00 -0.30 2.12 4.39 -0.68 0.76 114.58 120.87 1sjj h GLU 621 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1sjj h GLU 621 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1sjj h GLU 621 CO 0.00 0.11 0.00 0.39 -1.16 0.00 0.00 179.01 178.35 1sjj n GLU 622 N -3.23 1.89 -0.06 2.33 -0.58 -0.05 -0.14 120.64 120.80 1sjj n GLU 622 Ca 0.01 -1.36 -0.07 0.00 -0.42 0.00 0.00 57.16 55.32 1sjj n GLU 622 Cb 0.38 -1.36 -0.07 0.00 -0.57 0.00 0.00 31.44 29.82 1sjj n GLU 622 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 1sjj n HIS 623 N 0.58 0.00 0.66 -0.32 -0.00 -0.43 -0.46 115.22 115.26 1sjj n HIS 623 Ca 0.15 0.00 0.09 0.00 0.46 0.00 0.00 57.72 58.42 1sjj n HIS 623 Cb 0.35 -0.52 0.41 0.00 -0.12 0.00 0.00 29.99 30.11 1sjj n HIS 623 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1sjj n ALA 624 N -2.66 1.87 -1.14 1.57 0.00 0.25 -1.23 120.51 119.18 1sjj n ALA 624 Ca -0.21 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1sjj n ALA 624 Cb 0.79 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1sjj n ALA 624 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sjj n ARG 625 N -1.48 0.00 -0.32 0.00 1.74 0.81 -4.64 116.66 112.76 1sjj n ARG 625 Ca 0.05 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.17 1sjj n ARG 625 Cb 0.21 -0.19 0.12 0.00 -1.02 0.00 0.00 32.46 31.58 1sjj n ARG 625 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1sjj h GLN 626 N 0.00 -0.00 0.00 5.56 1.08 -0.72 0.71 115.11 121.74 1sjj h GLN 626 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1sjj h GLN 626 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1sjj h GLN 626 CO 0.00 -0.00 0.00 0.94 -0.95 0.00 0.00 178.83 178.82 1sjj n GLN 627 N -5.57 0.05 -0.03 1.46 -0.06 -0.36 -0.50 117.38 112.37 1sjj n GLN 627 Ca 0.14 0.26 0.01 0.00 -2.00 0.00 0.00 57.00 55.41 1sjj n GLN 627 Cb 0.45 -1.58 -0.14 0.00 -4.06 0.00 0.00 30.24 24.91 1sjj n GLN 627 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1sjj n GLN 628 N -1.67 0.66 -0.02 3.69 1.13 0.19 -3.66 117.38 117.70 1sjj n GLN 628 Ca 0.04 -0.03 0.03 0.00 -1.94 0.00 0.00 57.00 55.10 1sjj n GLN 628 Cb 0.21 -1.59 0.39 0.00 0.11 0.00 0.00 30.24 29.35 1sjj n GLN 628 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 1sjj h ASN 629 N 0.00 0.51 0.00 1.08 4.21 0.83 0.25 115.58 122.46 1sjj h ASN 629 Ca -0.23 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.26 1sjj h ASN 629 Cb 1.56 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 38.64 1sjj h ASN 629 CO 0.02 0.40 0.00 -0.62 -1.29 0.00 0.00 177.43 175.94 1sjj n GLU 630 N -4.44 0.76 0.00 0.81 -0.58 0.35 -0.33 120.64 117.21 1sjj n GLU 630 Ca 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 1sjj n GLU 630 Cb 0.08 -1.12 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 1sjj n GLU 630 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1sjj n ARG 631 N 0.92 0.00 0.05 3.49 0.63 -0.09 -4.48 116.66 117.18 1sjj n ARG 631 Ca 0.00 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 1sjj n ARG 631 Cb 0.38 -0.42 -0.09 0.00 0.45 0.00 0.00 32.46 32.78 1sjj n ARG 631 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1sjj h LEU 632 N 0.00 -0.11 -1.13 6.15 3.38 -0.94 -1.33 115.31 121.32 1sjj h LEU 632 Ca 0.00 -0.30 0.17 0.00 0.09 0.00 0.00 57.88 57.84 1sjj h LEU 632 Cb 0.00 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 40.69 1sjj h LEU 632 CO 0.00 0.26 0.61 0.03 0.09 0.00 0.00 178.44 179.43 1sjj h ARG 633 N -0.50 0.72 -0.08 1.13 3.08 -0.94 -3.25 114.38 114.54 1sjj h ARG 633 Ca -0.01 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 1sjj h ARG 633 Cb 0.41 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1sjj h ARG 633 CO 0.02 0.48 -0.25 -0.22 -1.07 0.00 0.00 179.97 178.93 1sjj h LYS 634 N 0.74 0.31 0.27 0.04 3.64 -1.67 -1.23 116.57 118.68 1sjj h LYS 634 Ca 0.53 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 1sjj h LYS 634 Cb 0.85 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1sjj h LYS 634 CO -0.30 0.85 -0.13 1.96 -2.27 0.00 0.00 179.45 179.56 1sjj h GLN 635 N -0.16 -0.35 -0.09 1.90 1.08 -1.28 0.75 115.11 116.95 1sjj h GLN 635 Ca -0.01 0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1sjj h GLN 635 Cb 0.87 0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 28.37 1sjj h GLN 635 CO 0.05 -0.05 0.06 0.35 -0.95 0.00 0.00 178.83 178.29 1sjj h PHE 636 N -0.66 0.12 0.08 2.96 3.57 -1.71 -2.04 116.94 119.26 1sjj h PHE 636 Ca -0.04 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 1sjj h PHE 636 Cb 0.46 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1sjj h PHE 636 CO 0.02 0.11 -0.04 0.78 -2.23 0.00 0.00 178.31 176.95 1sjj h GLY 637 N 0.10 -0.11 2.00 2.40 0.00 -1.25 0.92 103.07 107.12 1sjj h GLY 637 Ca 0.03 0.04 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 1sjj h GLY 637 CO -0.01 -0.04 -0.17 0.00 0.00 0.00 0.00 176.54 176.32 1sjj h ALA 638 N 0.70 1.00 0.03 3.60 0.00 -0.89 -0.79 119.26 122.89 1sjj h ALA 638 Ca -0.01 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1sjj h ALA 638 Cb 0.18 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1sjj h ALA 638 CO 0.02 0.22 -0.32 1.96 0.00 0.00 0.00 179.25 181.13 1sjj h GLN 639 N 0.00 0.17 -0.80 0.00 1.08 -1.21 -3.32 115.11 111.03 1sjj h GLN 639 Ca -0.00 -0.22 0.06 0.00 -1.45 0.00 0.00 58.65 57.04 1sjj h GLN 639 Cb 0.74 0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 28.19 1sjj h GLN 639 CO 0.02 1.00 0.53 0.00 -0.95 0.00 0.00 178.83 179.43 1sjj h ALA 640 N 0.18 1.60 0.00 3.87 0.00 -0.66 -1.34 119.26 122.90 1sjj h ALA 640 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1sjj h ALA 640 Cb 1.14 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1sjj h ALA 640 CO 0.06 0.29 0.00 -0.91 0.00 0.00 0.00 179.25 178.69 1sjj h ASN 641 N 0.90 0.00 -0.02 0.00 2.35 -1.27 0.20 115.58 117.74 1sjj h ASN 641 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 1sjj h ASN 641 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1sjj h ASN 641 CO -0.12 0.00 -0.05 1.33 -1.65 0.00 0.00 177.43 176.94 1sjj n VAL 642 N -3.06 0.00 -0.06 2.81 0.24 -0.64 -4.32 118.33 113.29 1sjj n VAL 642 Ca -0.02 -0.47 -0.05 0.00 -2.04 0.00 0.00 64.34 61.76 1sjj n VAL 642 Cb 0.14 1.34 -0.03 0.00 -1.47 0.00 0.00 33.84 33.81 1sjj n VAL 642 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1sjj h ILE 643 N 3.16 0.28 -0.93 1.34 2.04 -0.08 -3.34 117.51 119.98 1sjj h ILE 643 Ca 0.00 -1.25 0.10 0.00 1.00 0.00 0.00 64.86 64.71 1sjj h ILE 643 Cb 0.70 0.58 -0.12 0.00 -0.74 0.00 0.00 36.82 37.23 1sjj h ILE 643 CO 0.00 0.10 -0.48 0.61 0.00 0.00 0.00 178.15 178.37 1sjj n GLY 644 N 1.68 -2.23 0.07 5.37 0.00 0.56 -0.18 105.19 110.45 1sjj n GLY 644 Ca -0.06 1.08 0.10 0.00 0.00 0.00 0.00 46.02 47.14 1sjj n GLY 644 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1sjj n PRO 645 N -5.23 0.11 0.00 1.61 -0.04 -1.26 -1.11 135.00 129.09 1sjj n PRO 645 Ca 0.04 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 63.92 1sjj n PRO 645 Cb 0.29 -1.69 0.20 0.00 -0.04 0.00 0.00 33.50 32.26 1sjj n PRO 645 CO 0.00 0.00 0.00 1.87 -0.04 0.00 0.00 175.50 177.33 1sjj n TRP 646 N -1.90 0.02 -0.06 0.54 -0.00 0.75 -0.61 117.44 116.19 1sjj n TRP 646 Ca 0.03 0.01 -0.13 0.00 -0.00 0.00 0.00 57.50 57.41 1sjj n TRP 646 Cb 0.24 -0.24 -0.11 0.00 -0.00 0.00 0.00 31.31 31.20 1sjj n TRP 646 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 177.69 178.51 1sjj h ILE 647 N 0.00 1.57 0.09 5.87 2.04 -0.09 -3.33 117.51 123.66 1sjj h ILE 647 Ca 0.00 -2.04 0.02 0.00 1.00 0.00 0.00 64.86 63.83 1sjj h ILE 647 Cb 0.51 2.91 -0.03 0.00 -0.74 0.00 0.00 36.82 39.47 1sjj h ILE 647 CO 0.00 0.51 -0.22 -0.61 0.00 0.00 0.00 178.15 177.83 1sjj h GLN 648 N -0.93 -0.38 -0.33 2.37 -0.00 -1.09 -2.60 115.11 112.15 1sjj h GLN 648 Ca -0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.68 1sjj h GLN 648 Cb 0.84 0.09 -0.02 0.00 0.00 0.00 0.00 27.48 28.39 1sjj h GLN 648 CO 0.00 -0.25 0.21 1.79 0.00 0.00 0.00 178.83 180.58 1sjj h THR 649 N -0.39 1.10 0.00 2.39 1.35 -1.07 -2.42 112.91 113.87 1sjj h THR 649 Ca 0.04 -0.20 -0.04 0.00 -0.55 0.00 0.00 66.41 65.66 1sjj h THR 649 Cb 0.43 0.63 -0.01 0.00 -1.73 0.00 0.00 68.15 67.47 1sjj h THR 649 CO -0.14 0.09 -0.17 0.11 -0.25 0.00 0.00 175.52 175.17 1sjj h LYS 650 N 0.44 0.00 0.00 4.72 1.79 -1.66 0.12 116.57 121.99 1sjj h LYS 650 Ca 0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1sjj h LYS 650 Cb -0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1sjj h LYS 650 CO -0.02 0.17 0.00 0.52 -1.08 0.00 0.00 179.45 179.03 1sjj h MET 651 N 0.00 0.00 0.02 3.15 2.86 -1.25 -0.72 114.93 118.99 1sjj h MET 651 Ca -0.00 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.27 1sjj h MET 651 Cb 0.68 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.28 1sjj h MET 651 CO 0.02 0.00 -2.30 -1.91 1.06 0.00 0.00 176.91 173.79 1sjj n GLU 652 N -2.32 0.68 -0.22 1.72 0.00 -0.38 -3.94 120.64 116.18 1sjj n GLU 652 Ca 0.02 0.14 -0.04 0.00 0.00 0.00 0.00 57.16 57.29 1sjj n GLU 652 Cb 0.25 -1.58 0.14 0.00 0.00 0.00 0.00 31.44 30.25 1sjj n GLU 652 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1sjj h GLU 653 N 0.01 1.02 -1.25 5.31 4.39 -0.81 -0.86 114.58 122.39 1sjj h GLU 653 Ca -0.52 -0.18 -0.23 0.00 0.34 0.00 0.00 59.36 58.78 1sjj h GLU 653 Cb 2.02 -0.17 -0.12 0.00 -0.10 0.00 0.00 28.75 30.39 1sjj h GLU 653 CO -0.01 0.84 0.30 -0.89 -1.16 0.00 0.00 179.01 178.08 1sjj n ILE 654 N -4.29 2.19 0.36 3.13 5.41 -0.28 -0.58 119.36 125.30 1sjj n ILE 654 Ca 0.06 -1.04 0.04 0.00 1.00 0.00 0.00 62.75 62.81 1sjj n ILE 654 Cb 0.18 -1.03 -0.01 0.00 -0.71 0.00 0.00 39.64 38.08 1sjj n ILE 654 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1sjj n GLY 655 N 0.14 -0.09 0.00 7.39 0.00 -0.34 -4.98 105.19 107.31 1sjj n GLY 655 Ca 0.24 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1sjj n GLY 655 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sjj n ARG 656 N -0.47 0.00 0.00 1.61 1.74 0.25 -4.90 116.66 114.89 1sjj n ARG 656 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1sjj n ARG 656 Cb 0.16 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.60 1sjj n ARG 656 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1sjj n ILE 657 N 0.00 0.00 -0.74 0.55 5.41 -1.23 -4.65 119.36 118.69 1sjj n ILE 657 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.67 1sjj n ILE 657 Cb 0.00 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 38.82 1sjj n ILE 657 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1sjj n SER 658 N 0.00 4.35 0.00 4.38 7.64 -1.26 -3.52 113.62 125.21 1sjj n SER 658 Ca 0.00 -2.28 0.00 0.00 1.01 0.00 0.00 58.87 57.60 1sjj n SER 658 Cb 0.00 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.07 1sjj n SER 658 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1sjj n ILE 659 N 2.38 0.00 -0.67 0.44 -0.00 -1.26 -5.08 119.36 115.17 1sjj n ILE 659 Ca 0.28 -0.07 -0.31 0.00 -0.00 0.00 0.00 62.75 62.66 1sjj n ILE 659 Cb 0.69 1.43 0.17 0.00 -0.00 0.00 0.00 39.64 41.93 1sjj n ILE 659 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1sjj n GLU 660 N -0.07 -0.80 -0.22 6.28 -0.58 -1.23 -4.72 120.64 119.30 1sjj n GLU 660 Ca 0.00 -0.18 0.10 0.00 -0.42 0.00 0.00 57.16 56.66 1sjj n GLU 660 Cb 0.11 -2.18 0.26 0.00 -0.57 0.00 0.00 31.44 29.06 1sjj n GLU 660 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1sjj n MET 661 N -3.62 2.25 0.00 3.49 2.81 -1.26 -1.79 117.12 119.00 1sjj n MET 661 Ca 0.09 -1.92 0.00 0.00 -1.81 0.00 0.00 57.70 54.05 1sjj n MET 661 Cb 0.53 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.59 1sjj n MET 661 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 1sjj n HIS 662 N 1.09 0.00 -2.69 2.03 -0.00 -1.26 -4.91 115.22 109.48 1sjj n HIS 662 Ca 0.19 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.83 1sjj n HIS 662 Cb 0.49 0.00 0.06 0.00 -0.00 0.00 0.00 29.99 30.53 1sjj n HIS 662 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1sjj n GLY 663 N 2.44 1.52 4.41 1.57 0.00 -1.26 -5.03 105.19 108.85 1sjj n GLY 663 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1sjj n GLY 663 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sjj n THR 664 N -0.30 0.00 -0.08 2.61 -2.24 -0.74 -4.58 114.28 108.95 1sjj n THR 664 Ca 0.05 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.67 1sjj n THR 664 Cb 0.83 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.00 1sjj n THR 664 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1sjj n LEU 665 N 0.00 1.59 -0.17 3.22 4.77 -1.26 -4.19 117.00 120.95 1sjj n LEU 665 Ca 0.00 0.13 -0.03 0.00 -0.03 0.00 0.00 56.01 56.08 1sjj n LEU 665 Cb 0.00 -0.49 0.07 0.00 -2.33 0.00 0.00 43.42 40.67 1sjj n LEU 665 CO 0.00 0.44 0.99 -0.33 -1.33 0.00 0.00 177.39 177.16 1sjj h GLU 666 N -0.44 0.41 0.00 3.23 4.39 -1.97 -2.87 114.58 117.32 1sjj h GLU 666 Ca -0.40 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.16 1sjj h GLU 666 Cb 1.40 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.94 1sjj h GLU 666 CO -0.20 0.27 -0.85 -0.44 -1.16 0.00 0.00 179.01 176.62 1sjj h ASP 667 N 0.42 0.00 0.08 1.42 3.32 -1.94 -3.38 116.42 116.34 1sjj h ASP 667 Ca 0.25 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.32 1sjj h ASP 667 Cb 0.24 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.75 1sjj h ASP 667 CO -0.23 0.49 -0.30 -0.61 -1.72 0.00 0.00 179.24 176.87 1sjj h GLN 668 N 0.00 -0.47 -0.23 3.56 -0.00 -1.70 -2.70 115.11 113.56 1sjj h GLN 668 Ca -0.06 0.03 -0.06 0.00 -0.00 0.00 0.00 58.65 58.56 1sjj h GLN 668 Cb 1.42 0.11 -0.01 0.00 0.00 0.00 0.00 27.48 29.00 1sjj h GLN 668 CO 0.05 -0.31 -0.14 1.25 0.00 0.00 0.00 178.83 179.68 1sjj h LEU 669 N -0.49 0.37 -0.20 -2.39 7.12 -1.75 -2.29 115.31 115.68 1sjj h LEU 669 Ca 0.04 -0.09 0.04 0.00 0.13 0.00 0.00 57.88 58.01 1sjj h LEU 669 Cb 0.54 -0.10 -0.04 0.00 -0.53 0.00 0.00 40.66 40.53 1sjj h LEU 669 CO -0.20 0.54 -0.09 -1.13 -0.13 0.00 0.00 178.44 177.43 1sjj h ASN 670 N 0.36 -0.29 0.17 1.25 -1.24 -1.68 -0.33 115.58 113.81 1sjj h ASN 670 Ca 0.07 0.07 -0.04 0.00 0.71 0.00 0.00 56.30 57.11 1sjj h ASN 670 Cb 0.46 0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.67 1sjj h ASN 670 CO 0.03 -0.12 -0.19 0.45 -1.29 0.00 0.00 177.43 176.31 1sjj h HIS 671 N -0.06 0.05 -0.29 0.67 3.86 -1.13 -0.66 115.15 117.59 1sjj h HIS 671 Ca 0.11 -0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.23 1sjj h HIS 671 Cb 0.22 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.66 1sjj h HIS 671 CO -0.25 0.24 -0.15 -0.07 0.86 0.00 0.00 177.93 178.56 1sjj h LEU 672 N 0.05 0.50 -0.09 2.43 3.38 -0.78 0.13 115.31 120.92 1sjj h LEU 672 Ca 0.01 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 1sjj h LEU 672 Cb 0.36 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1sjj h LEU 672 CO 0.03 0.68 -0.44 0.03 0.09 0.00 0.00 178.44 178.83 1sjj h ARG 673 N 0.47 0.00 0.94 1.13 2.47 -0.81 -0.85 114.38 117.73 1sjj h ARG 673 Ca 0.08 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.76 1sjj h ARG 673 Cb 0.54 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.87 1sjj h ARG 673 CO 0.03 0.44 -0.45 0.37 0.56 0.00 0.00 179.97 180.92 1sjj h GLN 674 N 0.00 -1.21 0.00 0.04 -0.00 -0.86 -2.14 115.11 110.94 1sjj h GLN 674 Ca -0.00 0.08 -0.06 0.00 -0.00 0.00 0.00 58.65 58.67 1sjj h GLN 674 Cb 1.30 0.28 -0.01 0.00 0.00 0.00 0.00 27.48 29.05 1sjj h GLN 674 CO 0.06 -0.81 -0.30 1.88 0.00 0.00 0.00 178.83 179.66 1sjj h TYR 675 N -1.27 0.00 -0.47 3.99 0.05 -0.70 0.11 116.97 118.69 1sjj h TYR 675 Ca -0.13 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.67 1sjj h TYR 675 Cb 0.97 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.68 1sjj h TYR 675 CO 0.02 0.30 0.28 1.49 -1.05 0.00 0.00 178.16 179.20 1sjj h GLU 676 N 0.00 0.56 -0.03 4.88 4.81 -1.23 -0.70 114.58 122.87 1sjj h GLU 676 Ca -0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1sjj h GLU 676 Cb 0.57 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 1sjj h GLU 676 CO 0.04 0.37 0.02 -0.22 -0.73 0.00 0.00 179.01 178.48 1sjj h LYS 677 N 0.57 0.04 -0.77 1.92 3.64 -0.64 -2.65 116.57 118.67 1sjj h LYS 677 Ca 0.18 -0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.71 1sjj h LYS 677 Cb -0.00 -0.01 -0.15 0.00 -0.41 0.00 0.00 32.23 31.66 1sjj h LYS 677 CO -0.08 0.06 -0.22 0.77 -2.27 0.00 0.00 179.45 177.71 1sjj h SER 678 N 0.01 -0.81 0.04 4.20 0.02 -0.58 0.11 113.55 116.54 1sjj h SER 678 Ca 0.01 0.24 -0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1sjj h SER 678 Cb 0.03 0.51 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1sjj h SER 678 CO -0.00 -0.27 -0.02 0.40 -1.14 0.00 0.00 176.83 175.80 1sjj h ILE 679 N -0.02 0.98 0.00 3.27 1.08 -1.00 -2.77 117.51 119.05 1sjj h ILE 679 Ca 0.36 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.74 1sjj h ILE 679 Cb 0.57 1.04 0.00 0.00 -3.07 0.00 0.00 36.82 35.37 1sjj h ILE 679 CO -0.80 0.02 0.00 0.58 -0.69 0.00 0.00 178.15 177.26 1sjj h VAL 680 N -0.10 0.00 -0.30 1.67 2.07 -1.12 0.90 116.25 119.37 1sjj h VAL 680 Ca -0.01 -0.47 -0.18 0.00 0.82 0.00 0.00 66.70 66.86 1sjj h VAL 680 Cb 0.08 1.43 -0.09 0.00 -1.52 0.00 0.00 31.29 31.19 1sjj h VAL 680 CO 0.01 0.00 0.23 -3.20 0.02 0.00 0.00 177.57 174.63 1sjj n ASN 681 N -2.95 4.77 0.09 0.57 5.15 0.36 -3.88 115.26 119.38 1sjj n ASN 681 Ca 0.01 -2.66 0.00 0.00 -0.60 0.00 0.00 54.58 51.33 1sjj n ASN 681 Cb 0.30 -0.87 0.00 0.00 -0.53 0.00 0.00 39.78 38.68 1sjj n ASN 681 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1sjj n TYR 682 N 0.44 -2.80 -0.17 1.20 9.36 -0.74 -4.95 117.16 119.49 1sjj n TYR 682 Ca 0.18 0.56 0.11 0.00 3.32 0.00 0.00 57.90 62.07 1sjj n TYR 682 Cb 0.68 1.62 0.20 0.00 -0.63 0.00 0.00 39.34 41.22 1sjj n TYR 682 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1sjj n LYS 683 N -2.91 -0.04 0.05 2.98 4.81 0.23 -0.60 118.16 122.68 1sjj n LYS 683 Ca 0.00 0.74 0.03 0.00 -0.87 0.00 0.00 58.31 58.22 1sjj n LYS 683 Cb 0.00 -1.23 0.17 0.00 0.02 0.00 0.00 35.03 33.98 1sjj n LYS 683 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1sjj n PRO 684 N -4.44 0.04 -0.05 1.64 -0.04 -1.26 -1.23 135.00 129.66 1sjj n PRO 684 Ca 0.15 0.53 -0.15 0.00 -0.04 0.00 0.00 63.50 63.99 1sjj n PRO 684 Cb 0.49 -1.65 -0.07 0.00 -0.04 0.00 0.00 33.50 32.23 1sjj n PRO 684 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1sjj h LYS 685 N 0.00 0.54 0.04 0.54 1.57 -1.26 -2.81 116.57 115.19 1sjj h LYS 685 Ca 0.00 -0.38 0.03 0.00 -1.87 0.00 0.00 60.65 58.43 1sjj h LYS 685 Cb 0.03 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 1sjj h LYS 685 CO 0.00 0.99 -0.23 0.82 -0.57 0.00 0.00 179.45 180.46 1sjj h ILE 686 N 0.18 0.47 0.00 1.86 1.08 -1.34 0.04 117.51 119.80 1sjj h ILE 686 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1sjj h ILE 686 Cb 1.00 0.47 0.00 0.00 -3.07 0.00 0.00 36.82 35.22 1sjj h ILE 686 CO 0.09 0.00 0.10 0.47 -0.69 0.00 0.00 178.15 178.12 1sjj n ASP 687 N -5.36 0.29 -0.09 1.72 8.00 -1.01 -1.25 116.55 118.85 1sjj n ASP 687 Ca -0.05 0.58 -0.21 0.00 0.71 0.00 0.00 54.79 55.82 1sjj n ASP 687 Cb 0.27 -0.59 -0.12 0.00 -0.02 0.00 0.00 41.12 40.65 1sjj n ASP 687 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1sjj h GLN 688 N 0.00 0.02 -0.27 -1.24 1.08 -0.80 -3.40 115.11 110.50 1sjj h GLN 688 Ca 0.00 -0.04 0.08 0.00 -1.45 0.00 0.00 58.65 57.24 1sjj h GLN 688 Cb 0.20 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 1sjj h GLN 688 CO 0.00 1.02 0.20 -0.07 -0.95 0.00 0.00 178.83 179.03 1sjj h LEU 689 N -0.92 0.00 -1.96 1.46 3.38 0.35 0.54 115.31 118.16 1sjj h LEU 689 Ca -0.29 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.75 1sjj h LEU 689 Cb 1.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 1sjj h LEU 689 CO -0.15 0.00 0.41 -0.33 0.09 0.00 0.00 178.44 178.46 1sjj h GLU 690 N 0.00 0.00 0.00 1.13 4.39 -1.39 -1.71 114.58 117.00 1sjj h GLU 690 Ca 0.13 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.77 1sjj h GLU 690 Cb 0.52 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1sjj h GLU 690 CO -0.00 0.00 -1.52 0.41 -1.16 0.00 0.00 179.01 176.73 1sjj n GLY 691 N -1.40 -0.46 0.30 -3.84 0.00 0.11 -3.39 105.19 96.51 1sjj n GLY 691 Ca 0.04 -0.21 0.06 0.00 0.00 0.00 0.00 46.02 45.91 1sjj n GLY 691 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1sjj h ASP 692 N 0.00 0.52 0.43 1.61 3.32 -1.12 -1.19 116.42 119.99 1sjj h ASP 692 Ca -0.09 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1sjj h ASP 692 Cb 0.86 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 1sjj h ASP 692 CO 0.00 0.24 -0.28 -0.74 -1.72 0.00 0.00 179.24 176.74 1sjj h HIS 693 N 0.63 -0.73 -0.29 4.55 2.76 -1.49 -2.73 115.15 117.86 1sjj h HIS 693 Ca 0.44 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.67 1sjj h HIS 693 Cb 0.59 0.26 -0.08 0.00 1.55 0.00 0.00 27.41 29.73 1sjj h HIS 693 CO -0.10 -0.43 -0.32 0.37 -1.30 0.00 0.00 177.93 176.16 1sjj h GLN 694 N -0.69 -0.29 -0.60 5.26 -0.00 -1.46 -1.86 115.11 115.47 1sjj h GLN 694 Ca -0.05 0.02 0.10 0.00 -0.00 0.00 0.00 58.65 58.72 1sjj h GLN 694 Cb 0.57 0.07 -0.11 0.00 0.00 0.00 0.00 27.48 28.00 1sjj h GLN 694 CO 0.04 -0.20 -0.40 1.96 0.00 0.00 0.00 178.83 180.24 1sjj h GLN 695 N -0.30 -0.19 -0.29 1.69 1.08 -1.27 -2.26 115.11 113.56 1sjj h GLN 695 Ca 0.14 0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.31 1sjj h GLN 695 Cb 0.53 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.99 1sjj h GLN 695 CO -0.45 -0.12 -0.01 0.82 -0.95 0.00 0.00 178.83 178.11 1sjj h ILE 696 N -0.19 1.18 0.00 2.54 2.04 -1.21 -2.70 117.51 119.17 1sjj h ILE 696 Ca 0.20 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1sjj h ILE 696 Cb 0.56 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1sjj h ILE 696 CO -0.70 0.24 0.00 1.56 0.00 0.00 0.00 178.15 179.25 1sjj h GLN 697 N 0.43 0.00 -0.01 2.37 1.08 -0.75 -3.21 115.11 115.02 1sjj h GLN 697 Ca 0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 1sjj h GLN 697 Cb 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1sjj h GLN 697 CO 0.01 0.00 -0.42 0.39 -0.95 0.00 0.00 178.83 177.86 1sjj n GLU 698 N -2.63 0.54 -0.49 1.46 -0.58 -1.02 -4.23 120.64 113.69 1sjj n GLU 698 Ca 0.03 -0.34 0.08 0.00 -0.42 0.00 0.00 57.16 56.51 1sjj n GLU 698 Cb 0.37 -1.49 0.27 0.00 -0.57 0.00 0.00 31.44 30.01 1sjj n GLU 698 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1sjj n ALA 699 N -0.93 3.11 -3.91 0.62 0.00 -1.21 -4.99 120.51 113.20 1sjj n ALA 699 Ca 0.09 -2.31 -0.28 0.00 0.00 0.00 0.00 53.44 50.93 1sjj n ALA 699 Cb 0.35 -0.75 0.02 0.00 0.00 0.00 0.00 19.45 19.07 1sjj n ALA 699 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1sjj n LEU 700 N -0.45 -2.54 -3.92 0.00 7.99 -1.26 -4.98 117.00 111.84 1sjj n LEU 700 Ca 0.22 -0.84 -0.26 0.00 -0.01 0.00 0.00 56.01 55.12 1sjj n LEU 700 Cb 0.93 -2.49 -0.17 0.00 -0.11 0.00 0.00 43.42 41.58 1sjj n LEU 700 CO 0.17 0.43 -0.44 0.27 -1.51 0.00 0.00 177.39 176.31 1sjj s ILE 701 N -3.46 1.05 -0.09 -0.08 -5.25 -1.24 -5.01 121.20 107.11 1sjj s ILE 701 Ca 0.45 -0.32 0.03 0.00 -0.99 0.00 0.00 60.65 59.82 1sjj s ILE 701 Cb -0.23 -1.05 -0.04 0.00 2.95 0.00 0.00 42.46 44.09 1sjj s ILE 701 CO 0.84 0.37 0.11 0.49 -1.79 0.00 0.00 174.94 174.97 1sjj n PHE 702 N 4.77 0.00 -3.56 1.37 3.01 -1.26 -4.47 117.46 117.33 1sjj n PHE 702 Ca -0.14 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 57.96 1sjj n PHE 702 Cb 0.50 -0.03 -0.07 0.00 -0.01 0.00 0.00 39.48 39.87 1sjj n PHE 702 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 1sjj s ASP 703 N -1.79 6.41 -0.36 4.37 -4.77 -1.26 -5.07 116.67 114.20 1sjj s ASP 703 Ca 0.00 0.48 0.03 0.00 -3.30 0.00 0.00 52.55 49.76 1sjj s ASP 703 Cb 0.02 -2.17 0.11 0.00 -1.09 0.00 0.00 42.92 39.79 1sjj s ASP 703 CO 0.14 0.11 0.10 0.21 0.70 0.00 0.00 175.17 176.43 1sjj s ASN 704 N 0.42 4.51 -0.21 2.11 3.84 -1.26 -4.85 114.94 119.49 1sjj s ASN 704 Ca 0.16 -2.21 0.03 0.00 0.21 0.00 0.00 52.86 51.05 1sjj s ASN 704 Cb -0.13 -1.46 0.36 0.00 -0.55 0.00 0.00 41.25 39.48 1sjj s ASN 704 CO 0.03 -0.36 1.42 0.29 -2.79 0.00 0.00 177.10 175.70 1sjj n LYS 705 N 4.16 1.87 -0.00 0.43 5.02 -1.26 -3.72 118.16 124.66 1sjj n LYS 705 Ca 0.03 -1.57 0.03 0.00 -2.02 0.00 0.00 58.31 54.79 1sjj n LYS 705 Cb 0.40 -1.66 -0.05 0.00 -0.02 0.00 0.00 35.03 33.71 1sjj n LYS 705 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1sjj n HIS 706 N -0.24 0.00 -4.77 2.13 8.25 -1.26 -5.04 115.22 114.29 1sjj n HIS 706 Ca 0.28 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.44 1sjj n HIS 706 Cb 1.05 -0.14 -0.14 0.00 1.12 0.00 0.00 29.99 31.88 1sjj n HIS 706 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1sjj s THR 707 N -2.43 2.35 -0.42 1.59 -1.32 -1.24 -4.91 115.64 109.26 1sjj s THR 707 Ca -0.02 -1.37 0.05 0.00 -1.21 0.00 0.00 61.69 59.13 1sjj s THR 707 Cb 0.04 -1.96 0.55 0.00 -1.51 0.00 0.00 72.50 69.63 1sjj s THR 707 CO 0.26 0.32 1.72 0.59 -2.21 0.00 0.00 174.62 175.30 1sjj n ASN 708 N 1.60 4.12 0.00 8.08 4.13 -1.26 -4.62 115.26 127.31 1sjj n ASN 708 Ca -0.17 -3.73 0.00 0.00 1.68 0.00 0.00 54.58 52.37 1sjj n ASN 708 Cb 0.52 -0.75 0.00 0.00 -1.54 0.00 0.00 39.78 38.01 1sjj n ASN 708 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1sjj n TYR 709 N -1.06 0.00 -2.30 3.10 4.01 -1.26 -5.13 117.16 114.52 1sjj n TYR 709 Ca 0.50 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 58.26 1sjj n TYR 709 Cb 1.20 0.06 -0.01 0.00 -0.31 0.00 0.00 39.34 40.28 1sjj n TYR 709 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1sjj n THR 710 N -2.50 0.00 0.03 -0.72 -2.24 -1.26 -3.82 114.28 103.76 1sjj n THR 710 Ca 0.00 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.72 1sjj n THR 710 Cb 0.37 -0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.49 1sjj n THR 710 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1sjj h MET 711 N 0.00 -0.18 -0.81 -0.78 2.86 -1.99 -3.38 114.93 110.65 1sjj h MET 711 Ca 0.00 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.74 1sjj h MET 711 Cb 0.18 0.04 -0.07 0.00 0.06 0.00 0.00 31.60 31.81 1sjj h MET 711 CO 0.00 0.08 0.47 0.93 1.06 0.00 0.00 176.91 179.45 1sjj h GLU 712 N -1.01 0.79 0.00 1.72 4.39 -2.00 -0.90 114.58 117.57 1sjj h GLU 712 Ca -0.02 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1sjj h GLU 712 Cb 0.35 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1sjj h GLU 712 CO 0.03 0.52 0.00 0.72 -1.16 0.00 0.00 179.01 179.12 1sjj n HIS 713 N -4.73 0.12 0.17 4.33 8.25 -1.25 -0.20 115.22 121.91 1sjj n HIS 713 Ca 0.12 0.05 -0.08 0.00 -0.26 0.00 0.00 57.72 57.55 1sjj n HIS 713 Cb 0.24 -0.57 -0.04 0.00 1.12 0.00 0.00 29.99 30.74 1sjj n HIS 713 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1sjj h ILE 714 N 0.00 0.00 -0.10 1.59 5.03 -1.34 -3.16 117.51 119.54 1sjj h ILE 714 Ca 0.00 -0.64 0.02 0.00 -0.12 0.00 0.00 64.86 64.13 1sjj h ILE 714 Cb 0.28 0.01 -0.05 0.00 -3.03 0.00 0.00 36.82 34.03 1sjj h ILE 714 CO 0.00 0.00 -0.44 0.03 -0.68 0.00 0.00 178.15 177.06 1sjj h ARG 715 N -1.13 -0.46 -0.10 2.37 3.08 -0.99 0.17 114.38 117.32 1sjj h ARG 715 Ca -0.05 0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 1sjj h ARG 715 Cb 0.38 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 1sjj h ARG 715 CO 0.08 -0.31 -0.19 0.28 -1.07 0.00 0.00 179.97 178.77 1sjj h VAL 716 N -0.48 1.19 -0.05 2.04 2.07 -0.79 0.28 116.25 120.51 1sjj h VAL 716 Ca 0.02 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.70 1sjj h VAL 716 Cb 0.55 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1sjj h VAL 716 CO -0.34 0.26 -0.01 1.23 0.02 0.00 0.00 177.57 178.72 1sjj h GLY 717 N 0.77 0.04 0.99 2.17 0.00 -1.46 -1.21 103.07 104.37 1sjj h GLY 717 Ca 0.03 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 1sjj h GLY 717 CO 0.03 -0.02 0.26 -0.25 0.00 0.00 0.00 176.54 176.57 1sjj h TRP 718 N 0.00 0.85 -0.29 5.60 2.91 0.59 0.23 115.95 125.84 1sjj h TRP 718 Ca 0.03 -0.05 -0.11 0.00 1.13 0.00 0.00 58.89 59.89 1sjj h TRP 718 Cb 0.04 -0.26 -0.01 0.00 -0.51 0.00 0.00 29.16 28.41 1sjj h TRP 718 CO -0.11 0.66 -0.26 0.93 -1.03 0.00 0.00 178.44 178.62 1sjj h GLU 719 N 0.79 0.57 -0.43 2.65 4.39 -0.55 -1.58 114.58 120.43 1sjj h GLU 719 Ca 0.20 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1sjj h GLU 719 Cb 0.14 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1sjj h GLU 719 CO -0.02 0.78 0.25 0.37 -1.16 0.00 0.00 179.01 179.23 1sjj h GLN 720 N 0.50 0.59 -0.67 2.33 -0.00 -1.09 -2.79 115.11 113.97 1sjj h GLN 720 Ca 0.07 -0.06 0.08 0.00 -0.00 0.00 0.00 58.65 58.73 1sjj h GLN 720 Cb 0.72 -0.12 -0.06 0.00 0.00 0.00 0.00 27.48 28.02 1sjj h GLN 720 CO 0.06 0.45 0.34 1.25 0.00 0.00 0.00 178.83 180.93 1sjj h LEU 721 N 0.56 0.47 -1.92 -2.39 5.85 -0.23 -0.90 115.31 116.75 1sjj h LEU 721 Ca 0.15 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 1sjj h LEU 721 Cb 0.03 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1sjj h LEU 721 CO -0.03 0.28 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.18 1sjj h LEU 722 N 0.61 0.00 -1.10 2.25 4.07 -1.30 -0.87 115.31 118.96 1sjj h LEU 722 Ca 0.32 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 58.19 1sjj h LEU 722 Cb 0.29 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.02 1sjj h LEU 722 CO -0.23 0.10 -0.42 0.74 -1.08 0.00 0.00 178.44 177.55 1sjj h THR 723 N 0.00 1.31 0.24 0.22 2.02 -0.89 -2.53 112.91 113.27 1sjj h THR 723 Ca -0.00 -1.47 -0.34 0.00 0.77 0.00 0.00 66.41 65.37 1sjj h THR 723 Cb 0.34 1.75 0.03 0.00 -1.74 0.00 0.00 68.15 68.54 1sjj h THR 723 CO 0.01 0.42 -1.54 0.74 0.37 0.00 0.00 175.52 175.53 1sjj h THR 724 N 0.05 1.21 -0.33 3.16 2.02 -0.68 0.04 112.91 118.39 1sjj h THR 724 Ca 0.00 -2.68 -0.10 0.00 0.77 0.00 0.00 66.41 64.40 1sjj h THR 724 Cb 0.76 2.98 -0.01 0.00 -1.74 0.00 0.00 68.15 70.14 1sjj h THR 724 CO 0.06 0.82 -0.21 0.16 0.37 0.00 0.00 175.52 176.72 1sjj h ILE 725 N 0.14 1.26 -0.12 3.11 3.07 -1.52 -1.80 117.51 121.65 1sjj h ILE 725 Ca -0.27 -1.25 -0.07 0.00 1.55 0.00 0.00 64.86 64.82 1sjj h ILE 725 Cb 2.15 1.24 -0.00 0.00 -0.27 0.00 0.00 36.82 39.94 1sjj h ILE 725 CO 0.25 0.41 -0.19 0.00 -1.05 0.00 0.00 178.15 177.58 1sjj h ALA 726 N 1.22 0.19 0.11 0.16 0.00 -1.47 -2.80 119.26 116.67 1sjj h ALA 726 Ca 0.08 -0.36 -0.22 0.00 0.00 0.00 0.00 54.91 54.42 1sjj h ALA 726 Cb 0.66 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.44 1sjj h ALA 726 CO 0.05 0.12 -0.93 0.00 0.00 0.00 0.00 179.25 178.49 1sjj h ARG 727 N -0.06 0.44 -0.09 0.00 3.08 -1.08 -0.96 114.38 115.70 1sjj h ARG 727 Ca 0.01 -0.62 0.03 0.00 0.07 0.00 0.00 59.98 59.47 1sjj h ARG 727 Cb 0.75 0.21 -0.00 0.00 0.08 0.00 0.00 29.97 31.01 1sjj h ARG 727 CO 0.04 1.26 0.09 1.15 -1.07 0.00 0.00 179.97 181.44 1sjj h THR 728 N -0.09 0.67 0.03 2.04 2.02 -1.46 0.37 112.91 116.50 1sjj h THR 728 Ca -0.15 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 1sjj h THR 728 Cb 1.67 0.93 0.01 0.00 -1.74 0.00 0.00 68.15 69.02 1sjj h THR 728 CO 0.18 0.00 -0.27 0.40 0.37 0.00 0.00 175.52 176.20 1sjj h ILE 729 N 0.00 1.63 -0.53 3.11 2.04 -1.49 -1.95 117.51 120.31 1sjj h ILE 729 Ca 0.04 -2.19 0.06 0.00 1.00 0.00 0.00 64.86 63.78 1sjj h ILE 729 Cb 0.22 3.06 -0.05 0.00 -0.74 0.00 0.00 36.82 39.30 1sjj h ILE 729 CO -0.00 0.59 0.23 -1.13 0.00 0.00 0.00 178.15 177.84 1sjj h ASN 730 N -0.65 0.28 -0.50 1.72 -0.00 -0.47 0.26 115.58 116.22 1sjj h ASN 730 Ca -0.04 0.05 -0.06 0.00 -0.00 0.00 0.00 56.30 56.25 1sjj h ASN 730 Cb 1.12 0.01 -0.02 0.00 -0.00 0.00 0.00 38.32 39.42 1sjj h ASN 730 CO 0.05 0.19 0.08 -0.33 -0.00 0.00 0.00 177.43 177.42 1sjj h GLU 731 N 0.44 0.82 -0.49 6.67 4.39 -0.43 -3.25 114.58 122.73 1sjj h GLU 731 Ca 0.25 -0.22 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 1sjj h GLU 731 Cb 0.23 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1sjj h GLU 731 CO -0.22 0.82 0.18 0.28 -1.16 0.00 0.00 179.01 178.91 1sjj h VAL 732 N 0.70 1.22 0.00 3.13 2.07 -0.62 -1.95 116.25 120.79 1sjj h VAL 732 Ca 0.15 -0.69 -0.17 0.00 0.82 0.00 0.00 66.70 66.82 1sjj h VAL 732 Cb 0.39 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1sjj h VAL 732 CO 0.01 0.26 0.70 -0.62 0.02 0.00 0.00 177.57 177.94 1sjj n GLU 733 N -4.55 1.28 0.03 1.57 -0.58 0.84 -1.01 120.64 118.22 1sjj n GLU 733 Ca 0.01 -0.75 0.00 0.00 -0.42 0.00 0.00 57.16 56.00 1sjj n GLU 733 Cb 0.17 -1.94 0.00 0.00 -0.57 0.00 0.00 31.44 29.10 1sjj n GLU 733 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1sjj n ASN 734 N 3.15 -0.52 0.15 1.62 5.15 -1.04 -4.92 115.26 118.85 1sjj n ASN 734 Ca 0.27 0.12 -0.14 0.00 -0.60 0.00 0.00 54.58 54.23 1sjj n ASN 734 Cb 0.38 0.88 -0.08 0.00 -0.53 0.00 0.00 39.78 40.43 1sjj n ASN 734 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 1sjj h GLN 735 N 0.00 -0.68 -0.15 1.20 1.08 -0.30 -0.25 115.11 116.01 1sjj h GLN 735 Ca 0.00 0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.22 1sjj h GLN 735 Cb 0.00 0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 1sjj h GLN 735 CO 0.00 -0.46 -0.04 0.97 -0.95 0.00 0.00 178.83 178.35 1sjj h ILE 736 N -0.71 1.12 0.00 2.54 2.10 -1.79 -2.70 117.51 118.08 1sjj h ILE 736 Ca -0.02 -0.51 -0.03 0.00 1.08 0.00 0.00 64.86 65.38 1sjj h ILE 736 Cb 0.67 1.06 -0.00 0.00 -1.09 0.00 0.00 36.82 37.46 1sjj h ILE 736 CO -0.17 0.16 -0.15 -0.07 -1.08 0.00 0.00 178.15 176.84 1sjj h LEU 737 N 0.21 0.00 0.00 2.19 3.38 -1.63 -3.40 115.31 116.07 1sjj h LEU 737 Ca 0.05 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.83 1sjj h LEU 737 Cb 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1sjj h LEU 737 CO 0.01 0.15 -1.70 0.41 0.09 0.00 0.00 178.44 177.41 1sjj n THR 738 N -3.28 0.69 -2.10 0.22 -1.04 -0.12 -4.13 114.28 104.53 1sjj n THR 738 Ca 0.01 -0.23 -0.28 0.00 -2.04 0.00 0.00 64.05 61.50 1sjj n THR 738 Cb 0.41 -1.19 -0.05 0.00 -1.82 0.00 0.00 70.33 67.68 1sjj n THR 738 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1sjj s ARG 739 N -2.24 2.62 -0.92 -2.82 3.52 -1.04 -4.84 118.95 113.24 1sjj s ARG 739 Ca -0.17 -0.70 -0.02 0.00 -0.13 0.00 0.00 55.73 54.71 1sjj s ARG 739 Cb 0.05 -5.16 0.34 0.00 -1.56 0.00 0.00 34.95 28.62 1sjj s ARG 739 CO 0.26 -3.51 1.94 -0.40 -0.81 0.00 0.00 175.30 172.78 1sjj n ASP 740 N 13.72 7.45 0.00 -2.12 5.75 -1.26 -4.99 116.55 135.10 1sjj n ASP 740 Ca 0.42 -3.78 0.00 0.00 -0.01 0.00 0.00 54.79 51.42 1sjj n ASP 740 Cb 0.47 -1.11 0.00 0.00 -1.03 0.00 0.00 41.12 39.45 1sjj n ASP 740 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1sjj n ALA 741 N -0.34 0.00 -0.75 2.12 0.00 -1.26 -4.99 120.51 115.29 1sjj n ALA 741 Ca 0.51 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.66 1sjj n ALA 741 Cb 0.24 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.92 1sjj n ALA 741 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1sjj s LYS 742 N -0.28 -0.38 0.00 0.00 2.20 -1.26 -5.20 119.74 114.82 1sjj s LYS 742 Ca 0.00 0.79 0.00 0.00 -0.36 0.00 0.00 55.97 56.40 1sjj s LYS 742 Cb 0.00 -1.62 0.00 0.00 -1.51 0.00 0.00 37.83 34.70 1sjj s LYS 742 CO 0.00 -3.35 0.00 0.41 -0.36 0.00 0.00 175.35 172.05 1sjj n GLY 743 N 0.18 6.56 3.44 5.54 0.00 -1.26 -5.11 105.19 114.54 1sjj n GLY 743 Ca 0.04 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 1sjj n GLY 743 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sjj s ILE 744 N 0.05 2.62 -0.55 -0.61 1.01 -1.26 -4.56 121.20 117.89 1sjj s ILE 744 Ca 0.00 -1.38 -0.03 0.00 0.00 0.00 0.00 60.65 59.24 1sjj s ILE 744 Cb 0.00 -2.13 0.00 0.00 0.01 0.00 0.00 42.46 40.35 1sjj s ILE 744 CO 0.00 0.25 0.48 -1.20 0.00 0.00 0.00 174.94 174.46 1sjj n SER 745 N 1.30 -3.31 0.16 3.58 7.64 -1.26 -4.61 113.62 117.12 1sjj n SER 745 Ca -0.16 -0.24 0.07 0.00 1.01 0.00 0.00 58.87 59.55 1sjj n SER 745 Cb 0.52 -2.41 0.07 0.00 -1.01 0.00 0.00 64.21 61.38 1sjj n SER 745 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 1sjj h GLN 746 N -1.04 0.00 0.11 1.43 -0.00 -1.95 0.17 115.11 113.83 1sjj h GLN 746 Ca -0.24 0.00 -0.30 0.00 -0.00 0.00 0.00 58.65 58.11 1sjj h GLN 746 Cb 1.15 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.62 1sjj h GLN 746 CO 0.23 0.25 -1.48 0.93 -0.00 0.00 0.00 178.83 178.76 1sjj h GLU 747 N 0.00 0.24 0.19 0.06 5.08 -1.93 -3.17 114.58 115.05 1sjj h GLU 747 Ca -0.01 -0.40 -0.30 0.00 -1.00 0.00 0.00 59.36 57.64 1sjj h GLU 747 Cb 1.22 0.15 0.03 0.00 0.50 0.00 0.00 28.75 30.65 1sjj h GLU 747 CO 0.03 1.10 -1.28 1.96 -1.00 0.00 0.00 179.01 179.82 1sjj h GLN 748 N 0.06 0.54 -0.16 2.33 4.20 -1.80 -3.25 115.11 117.02 1sjj h GLN 748 Ca -0.22 -0.83 -0.01 0.00 0.06 0.00 0.00 58.65 57.65 1sjj h GLN 748 Cb 2.00 0.30 -0.01 0.00 0.30 0.00 0.00 27.48 30.07 1sjj h GLN 748 CO 0.16 1.39 0.06 1.98 -0.67 0.00 0.00 178.83 181.75 1sjj h MET 749 N 0.11 0.22 -0.40 1.46 4.05 -0.86 -2.77 114.93 116.74 1sjj h MET 749 Ca -0.21 -0.02 -0.07 0.00 -0.28 0.00 0.00 59.70 59.11 1sjj h MET 749 Cb 1.99 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 32.72 1sjj h MET 749 CO 0.24 0.19 -0.05 -0.91 0.23 0.00 0.00 176.91 176.61 1sjj h ASN 750 N 0.22 0.64 0.01 1.39 -0.26 -1.60 -2.02 115.58 113.96 1sjj h ASN 750 Ca 0.06 -0.16 -0.00 0.00 -0.56 0.00 0.00 56.30 55.64 1sjj h ASN 750 Cb 0.06 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.15 1sjj h ASN 750 CO -0.01 0.75 -0.01 -0.33 -1.06 0.00 0.00 177.43 176.78 1sjj h GLU 751 N 0.62 -0.02 -0.62 0.81 4.39 -1.53 0.14 114.58 118.37 1sjj h GLU 751 Ca 0.12 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.85 1sjj h GLU 751 Cb 0.47 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 1sjj h GLU 751 CO 0.02 0.68 0.41 0.74 -1.16 0.00 0.00 179.01 179.71 1sjj h PHE 752 N -0.74 0.71 -0.67 4.33 0.04 -1.60 0.12 116.94 119.13 1sjj h PHE 752 Ca -0.00 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 1sjj h PHE 752 Cb 0.71 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.59 1sjj h PHE 752 CO 0.17 0.42 0.24 -0.09 -0.60 0.00 0.00 178.31 178.45 1sjj h ARG 753 N 0.74 1.00 -0.41 1.51 1.12 -1.33 -2.57 114.38 114.43 1sjj h ARG 753 Ca 0.25 -0.18 -0.09 0.00 -1.11 0.00 0.00 59.98 58.84 1sjj h ARG 753 Cb 0.07 -0.16 -0.02 0.00 -0.01 0.00 0.00 29.97 29.85 1sjj h ARG 753 CO -0.07 0.83 -0.13 0.00 -3.11 0.00 0.00 179.97 177.50 1sjj h ALA 754 N 1.29 1.00 0.00 2.80 0.00 0.57 -2.56 119.26 122.36 1sjj h ALA 754 Ca 0.22 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1sjj h ALA 754 Cb 0.23 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1sjj h ALA 754 CO -0.01 0.60 -0.05 0.77 0.00 0.00 0.00 179.25 180.55 1sjj h SER 755 N 0.67 0.00 0.87 0.00 0.02 -0.87 -3.14 113.55 111.11 1sjj h SER 755 Ca 0.11 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.91 1sjj h SER 755 Cb 0.61 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 1sjj h SER 755 CO 0.04 0.05 -1.21 0.15 -1.14 0.00 0.00 176.83 174.72 1sjj h PHE 756 N 0.00 0.00 0.00 3.45 3.04 -1.05 -3.37 116.94 119.02 1sjj h PHE 756 Ca -0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1sjj h PHE 756 Cb 0.25 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.76 1sjj h PHE 756 CO 0.00 0.54 0.00 -1.71 -2.02 0.00 0.00 178.31 175.12 1sjj n ASN 757 N -2.95 0.46 0.05 0.41 2.85 -1.16 -0.42 115.26 114.50 1sjj n ASN 757 Ca -0.07 0.61 0.13 0.00 -0.11 0.00 0.00 54.58 55.15 1sjj n ASN 757 Cb 0.80 -0.71 0.52 0.00 1.24 0.00 0.00 39.78 41.64 1sjj n ASN 757 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1sjj n HIS 758 N -2.01 0.40 0.00 1.20 8.25 -1.26 -3.95 115.22 117.86 1sjj n HIS 758 Ca 0.03 0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 1sjj n HIS 758 Cb 0.22 -0.69 0.00 0.00 1.12 0.00 0.00 29.99 30.64 1sjj n HIS 758 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1sjj n PHE 759 N -1.83 0.00 -0.53 4.41 3.01 -0.37 -4.51 117.46 117.65 1sjj n PHE 759 Ca 0.06 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.18 1sjj n PHE 759 Cb 0.37 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.76 1sjj n PHE 759 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1sjj n ASP 760 N -1.15 1.31 -0.74 4.37 8.00 0.44 -4.26 116.55 124.52 1sjj n ASP 760 Ca 0.00 -2.42 0.10 0.00 0.71 0.00 0.00 54.79 53.18 1sjj n ASP 760 Cb 0.00 -0.65 0.30 0.00 -0.02 0.00 0.00 41.12 40.76 1sjj n ASP 760 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1sjj n ARG 761 N 6.98 1.96 -0.06 -1.24 5.12 -1.26 -3.49 116.66 124.67 1sjj n ARG 761 Ca 0.38 -1.46 -0.13 0.00 -1.93 0.00 0.00 57.85 54.70 1sjj n ARG 761 Cb 0.31 -1.41 -0.14 0.00 -1.16 0.00 0.00 32.46 30.06 1sjj n ARG 761 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1sjj n LYS 762 N 0.68 0.68 -2.48 5.56 5.02 -1.26 -5.05 118.16 121.31 1sjj n LYS 762 Ca 0.17 0.18 -0.06 0.00 -2.02 0.00 0.00 58.31 56.58 1sjj n LYS 762 Cb 0.40 -1.65 0.03 0.00 -0.02 0.00 0.00 35.03 33.79 1sjj n LYS 762 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1sjj n LYS 763 N -3.09 -2.16 0.00 1.97 4.81 -1.23 -5.01 118.16 113.45 1sjj n LYS 763 Ca -0.29 0.27 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1sjj n LYS 763 Cb 1.07 -3.59 0.00 0.00 0.02 0.00 0.00 35.03 32.53 1sjj n LYS 763 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1sjj n THR 764 N -2.07 0.00 0.00 3.15 -2.24 -1.26 -4.45 114.28 107.41 1sjj n THR 764 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1sjj n THR 764 Cb 0.55 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 1sjj n THR 764 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sjj n GLY 765 N 3.01 1.51 3.50 3.38 0.00 -1.26 -3.92 105.19 111.42 1sjj n GLY 765 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1sjj n GLY 765 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sjj s MET 766 N -0.42 0.42 0.51 1.61 -1.94 -1.26 -1.02 119.30 117.19 1sjj s MET 766 Ca 0.00 1.05 0.09 0.00 -1.71 0.00 0.00 55.69 55.12 1sjj s MET 766 Cb 0.00 0.63 0.05 0.00 2.01 0.00 0.00 34.83 37.53 1sjj s MET 766 CO 0.00 -0.16 0.69 0.00 -0.01 0.00 0.00 175.02 175.54 1sjj s MET 767 N 2.67 2.54 0.80 2.03 0.23 -0.94 -4.56 119.30 122.06 1sjj s MET 767 Ca -0.03 -1.47 -0.12 0.00 -1.03 0.00 0.00 55.69 53.04 1sjj s MET 767 Cb -0.09 -2.69 0.07 0.00 -1.53 0.00 0.00 34.83 30.59 1sjj s MET 767 CO -0.18 -0.60 1.17 -0.51 -2.03 0.00 0.00 175.02 172.87 1sjj s ASP 768 N -4.52 4.64 0.38 -1.18 1.01 -1.26 -0.96 116.67 114.77 1sjj s ASP 768 Ca 0.59 0.84 0.20 0.00 0.71 0.00 0.00 52.55 54.89 1sjj s ASP 768 Cb -0.08 -1.38 0.64 0.00 1.01 0.00 0.00 42.92 43.12 1sjj s ASP 768 CO 0.36 -1.83 1.71 0.00 0.21 0.00 0.00 175.17 175.62 1sjj h GLU 770 N 0.00 1.07 -0.00 0.00 4.22 -1.94 -3.18 114.58 114.75 1sjj h GLU 770 Ca -0.00 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.37 1sjj h GLU 770 Cb 0.94 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1sjj h GLU 770 CO 0.04 0.71 -0.01 -0.25 -2.18 0.00 0.00 179.01 177.33 1sjj n ASP 771 N -4.54 0.34 -0.18 1.04 8.00 -0.98 -3.57 116.55 116.65 1sjj n ASP 771 Ca 0.13 -1.04 -0.08 0.00 0.71 0.00 0.00 54.79 54.51 1sjj n ASP 771 Cb 0.13 -0.02 0.02 0.00 -0.02 0.00 0.00 41.12 41.23 1sjj n ASP 771 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1sjj h PHE 772 N 0.52 0.76 0.00 1.24 3.57 -1.62 0.27 116.94 121.68 1sjj h PHE 772 Ca 0.00 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1sjj h PHE 772 Cb 0.14 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.64 1sjj h PHE 772 CO 0.00 0.60 0.00 -2.13 -2.23 0.00 0.00 178.31 174.55 1sjj n ARG 773 N -4.58 0.34 -0.02 1.11 0.63 -1.23 -1.47 116.66 111.44 1sjj n ARG 773 Ca 0.02 0.07 -0.02 0.00 -0.92 0.00 0.00 57.85 57.01 1sjj n ARG 773 Cb 0.13 -1.50 -0.12 0.00 0.45 0.00 0.00 32.46 31.41 1sjj n ARG 773 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1sjj n ALA 774 N -1.27 1.92 0.06 5.13 0.00 -0.77 -4.31 120.51 121.27 1sjj n ALA 774 Ca 0.11 -0.79 -0.07 0.00 0.00 0.00 0.00 53.44 52.69 1sjj n ALA 774 Cb 0.17 -0.68 -0.11 0.00 0.00 0.00 0.00 19.45 18.83 1sjj n ALA 774 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sjj h LEU 776 N 0.00 0.94 -1.15 0.00 3.38 -1.55 -1.91 115.31 115.02 1sjj h LEU 776 Ca -0.01 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1sjj h LEU 776 Cb 1.75 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.25 1sjj h LEU 776 CO 0.13 1.04 0.00 0.00 0.09 0.00 0.00 178.44 179.70 1sjj n ILE 777 N -4.16 0.47 0.08 1.22 3.06 -1.20 -0.73 119.36 118.09 1sjj n ILE 777 Ca 0.02 -0.39 -0.23 0.00 -2.50 0.00 0.00 62.75 59.65 1sjj n ILE 777 Cb 0.38 0.09 -0.15 0.00 0.54 0.00 0.00 39.64 40.49 1sjj n ILE 777 CO 0.00 0.00 0.00 -1.28 -2.50 0.00 0.00 176.55 172.77 1sjj h SER 778 N 1.57 0.62 0.00 9.51 0.87 -0.63 -3.34 113.55 122.14 1sjj h SER 778 Ca 0.00 -0.92 0.00 0.00 -1.23 0.00 0.00 61.79 59.64 1sjj h SER 778 Cb 0.47 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1sjj h SER 778 CO 0.03 1.67 0.00 0.23 -0.53 0.00 0.00 176.83 178.23 1sjj n MET 779 N -3.79 0.00 0.00 2.24 2.81 -1.14 -4.97 117.12 112.28 1sjj n MET 779 Ca -0.21 0.26 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 1sjj n MET 779 Cb 1.01 -1.20 0.00 0.00 -0.71 0.00 0.00 33.22 32.32 1sjj n MET 779 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sjj n GLY 780 N -0.39 0.15 3.20 3.03 0.00 0.09 -5.11 105.19 106.16 1sjj n GLY 780 Ca 0.00 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1sjj n GLY 780 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1sjj s TYR 781 N 0.00 3.46 0.08 1.61 5.04 -0.97 -4.62 117.35 121.96 1sjj s TYR 781 Ca 0.00 -2.01 0.08 0.00 -2.44 0.00 0.00 57.07 52.70 1sjj s TYR 781 Cb 0.00 -3.47 -0.03 0.00 0.35 0.00 0.00 41.96 38.80 1sjj s TYR 781 CO 0.00 -0.98 -0.21 0.54 -1.34 0.00 0.00 175.55 173.56 1sjj s ASN 782 N 2.37 2.52 -0.00 4.32 4.22 -1.26 -4.61 114.94 122.50 1sjj s ASN 782 Ca 0.08 -0.63 0.00 0.00 -2.14 0.00 0.00 52.86 50.17 1sjj s ASN 782 Cb -0.24 -0.16 -0.00 0.00 1.28 0.00 0.00 41.25 42.13 1sjj s ASN 782 CO -0.02 0.09 -0.00 0.23 -2.04 0.00 0.00 177.10 175.36 1sjj n MET 783 N 1.34 0.93 0.00 3.55 2.81 -1.26 -5.08 117.12 119.41 1sjj n MET 783 Ca -0.19 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.70 1sjj n MET 783 Cb 0.53 -1.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.04 1sjj n MET 783 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sjj n GLY 784 N 3.38 -0.66 0.25 3.03 0.00 -1.26 -5.03 105.19 104.90 1sjj n GLY 784 Ca -0.00 -1.12 0.17 0.00 0.00 0.00 0.00 46.02 45.07 1sjj n GLY 784 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sjj n GLU 785 N -0.46 -0.05 -0.30 1.61 -0.58 -1.26 -3.55 120.64 116.05 1sjj n GLU 785 Ca 0.00 1.08 0.11 0.00 -0.42 0.00 0.00 57.16 57.93 1sjj n GLU 785 Cb 0.00 -1.82 0.34 0.00 -0.57 0.00 0.00 31.44 29.39 1sjj n GLU 785 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1sjj h ALA 786 N 1.50 1.75 0.09 0.62 0.00 -1.97 -0.56 119.26 120.69 1sjj h ALA 786 Ca 0.54 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.34 1sjj h ALA 786 Cb 1.30 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.97 1sjj h ALA 786 CO -0.64 -0.01 -0.60 1.49 0.00 0.00 0.00 179.25 179.49 1sjj h GLU 787 N 0.77 0.25 -0.34 0.00 4.57 -1.99 0.29 114.58 118.13 1sjj h GLU 787 Ca 0.47 -0.39 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 1sjj h GLU 787 Cb 0.69 0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 29.40 1sjj h GLU 787 CO -0.24 1.16 0.18 0.27 -1.18 0.00 0.00 179.01 179.20 1sjj h PHE 788 N -0.45 0.47 -0.43 0.92 -5.15 -1.77 -1.49 116.94 109.04 1sjj h PHE 788 Ca -0.10 -0.02 0.06 0.00 -0.20 0.00 0.00 57.97 57.71 1sjj h PHE 788 Cb 1.44 -0.15 -0.02 0.00 0.22 0.00 0.00 35.95 37.43 1sjj h PHE 788 CO 0.20 0.39 0.29 0.00 -2.00 0.00 0.00 178.31 177.19 1sjj h ALA 789 N 1.04 1.98 0.00 12.09 0.00 -1.12 0.10 119.26 133.35 1sjj h ALA 789 Ca 0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1sjj h ALA 789 Cb 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1sjj h ALA 789 CO -0.02 -0.06 -0.10 -0.09 0.00 0.00 0.00 179.25 178.99 1sjj h ARG 790 N 0.33 0.06 0.00 0.00 2.43 -0.73 -3.39 114.38 113.09 1sjj h ARG 790 Ca 0.19 -0.07 -0.20 0.00 -0.81 0.00 0.00 59.98 59.09 1sjj h ARG 790 Cb 0.32 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 1sjj h ARG 790 CO -0.04 0.86 -0.95 0.82 -1.51 0.00 0.00 179.97 179.14 1sjj h ILE 791 N -0.70 1.66 -0.35 1.20 1.08 -1.04 -3.30 117.51 116.05 1sjj h ILE 791 Ca -0.01 -3.28 0.09 0.00 -0.39 0.00 0.00 64.86 61.26 1sjj h ILE 791 Cb 0.89 2.78 -0.02 0.00 -3.07 0.00 0.00 36.82 37.41 1sjj h ILE 791 CO 0.02 0.93 0.25 0.00 -0.69 0.00 0.00 178.15 178.66 1sjj h MET 792 N 0.00 0.06 -0.99 2.37 -0.00 -0.98 -1.95 114.93 113.44 1sjj h MET 792 Ca -0.01 -0.00 0.15 0.00 -0.00 0.00 0.00 59.70 59.84 1sjj h MET 792 Cb 1.71 -0.01 -0.09 0.00 -0.00 0.00 0.00 31.60 33.20 1sjj h MET 792 CO 0.12 0.04 0.61 0.66 -0.00 0.00 0.00 176.91 178.34 1sjj h SER 793 N 0.06 0.84 0.00 -0.10 4.64 -1.79 0.22 113.55 117.42 1sjj h SER 793 Ca 0.17 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1sjj h SER 793 Cb 0.58 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1sjj h SER 793 CO -0.01 0.38 -1.71 2.30 -0.87 0.00 0.00 176.83 176.93 1sjj n ILE 794 N -4.70 0.00 1.35 0.95 -6.64 -0.97 -3.89 119.36 105.45 1sjj n ILE 794 Ca 0.20 -0.37 0.13 0.00 -1.77 0.00 0.00 62.75 60.95 1sjj n ILE 794 Cb 0.45 0.23 0.47 0.00 -1.44 0.00 0.00 39.64 39.35 1sjj n ILE 794 CO 0.00 0.00 0.00 0.52 -1.77 0.00 0.00 176.55 175.30 1sjj n VAL 795 N -2.04 0.00 -3.11 7.28 0.31 -0.77 -4.32 118.33 115.67 1sjj n VAL 795 Ca -0.02 -0.13 -0.19 0.00 -0.01 0.00 0.00 64.34 63.98 1sjj n VAL 795 Cb 0.47 0.29 -0.03 0.00 -0.91 0.00 0.00 33.84 33.66 1sjj n VAL 795 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1sjj n ASP 796 N -0.56 -0.09 0.00 4.52 2.03 0.05 -4.88 116.55 117.61 1sjj n ASP 796 Ca 0.14 -2.93 0.13 0.00 0.52 0.00 0.00 54.79 52.65 1sjj n ASP 796 Cb 0.33 -0.20 0.65 0.00 -0.72 0.00 0.00 41.12 41.18 1sjj n ASP 796 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1sjj n PRO 797 N 0.98 0.41 0.13 -0.67 -0.04 -1.25 -3.18 135.00 131.38 1sjj n PRO 797 Ca 0.20 0.04 -0.01 0.00 -0.04 0.00 0.00 63.50 63.70 1sjj n PRO 797 Cb 0.60 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.65 1sjj n PRO 797 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1sjj h ASN 798 N 0.00 0.00 -3.98 3.54 4.21 -1.93 -3.48 115.58 113.93 1sjj h ASN 798 Ca 0.00 0.00 -0.16 0.00 1.21 0.00 0.00 56.30 57.35 1sjj h ASN 798 Cb 0.21 0.00 0.09 0.00 -1.12 0.00 0.00 38.32 37.50 1sjj h ASN 798 CO 0.00 0.65 -0.41 -1.14 -1.29 0.00 0.00 177.43 175.24 1sjj n ARG 799 N -3.49 -2.78 -0.05 0.81 0.63 -1.19 -5.00 116.66 105.58 1sjj n ARG 799 Ca 0.00 0.44 -0.10 0.00 -0.92 0.00 0.00 57.85 57.27 1sjj n ARG 799 Cb 0.71 -4.09 -0.04 0.00 0.45 0.00 0.00 32.46 29.48 1sjj n ARG 799 CO 0.00 0.00 0.00 -0.12 -2.51 0.00 0.00 177.63 175.00 1sjj n MET 800 N -2.55 0.24 -0.81 -0.14 1.56 -1.26 -5.05 117.12 109.12 1sjj n MET 800 Ca -0.12 0.09 0.00 0.00 -0.27 0.00 0.00 57.70 57.40 1sjj n MET 800 Cb 0.58 -1.01 0.00 0.00 2.15 0.00 0.00 33.22 34.94 1sjj n MET 800 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1sjj n GLY 801 N 2.55 0.54 2.79 -5.12 0.00 -1.26 -5.06 105.19 99.64 1sjj n GLY 801 Ca -0.21 -0.49 -0.15 0.00 0.00 0.00 0.00 46.02 45.17 1sjj n GLY 801 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sjj s VAL 802 N -2.00 -0.02 -0.25 1.61 1.01 -1.26 -3.12 120.40 116.38 1sjj s VAL 802 Ca 0.00 0.16 -0.05 0.00 0.00 0.00 0.00 61.98 62.09 1sjj s VAL 802 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 36.38 36.28 1sjj s VAL 802 CO 0.00 0.08 0.01 0.54 0.00 0.00 0.00 175.10 175.73 1sjj s VAL 803 N 0.88 3.68 0.53 2.92 0.11 -0.14 -4.93 120.40 123.46 1sjj s VAL 803 Ca -0.07 -0.51 -0.19 0.00 -2.93 0.00 0.00 61.98 58.27 1sjj s VAL 803 Cb -0.11 -2.76 -0.06 0.00 -1.53 0.00 0.00 36.38 31.92 1sjj s VAL 803 CO -0.02 0.30 1.10 -0.89 -3.33 0.00 0.00 175.10 172.26 1sjj s THR 804 N 1.50 3.36 0.47 5.04 2.01 -1.26 -2.21 115.64 124.55 1sjj s THR 804 Ca 0.05 0.83 0.35 0.00 0.31 0.00 0.00 61.69 63.23 1sjj s THR 804 Cb -0.15 -3.33 0.55 0.00 0.01 0.00 0.00 72.50 69.57 1sjj s THR 804 CO -0.01 -0.19 1.63 0.15 -0.69 0.00 0.00 174.62 175.51 1sjj h PHE 805 N 1.24 0.37 -0.53 4.92 3.04 -1.47 -0.77 116.94 123.74 1sjj h PHE 805 Ca -0.50 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.45 1sjj h PHE 805 Cb 1.25 -0.09 -0.02 0.00 2.56 0.00 0.00 35.95 39.64 1sjj h PHE 805 CO 0.53 -0.14 0.26 1.96 -2.02 0.00 0.00 178.31 178.90 1sjj h GLN 806 N 0.07 0.76 0.00 1.11 7.50 -1.91 -3.06 115.11 119.58 1sjj h GLN 806 Ca 0.82 -0.11 0.00 0.00 0.50 0.00 0.00 58.65 59.86 1sjj h GLN 806 Cb 2.79 -0.14 0.00 0.00 0.05 0.00 0.00 27.48 30.19 1sjj h GLN 806 CO -0.30 0.63 0.00 0.00 -1.50 0.00 0.00 178.83 177.66 1sjj n ALA 807 N -2.32 2.12 0.76 3.87 0.00 -0.30 -0.75 120.51 123.90 1sjj n ALA 807 Ca 0.03 -0.10 0.11 0.00 0.00 0.00 0.00 53.44 53.48 1sjj n ALA 807 Cb 0.12 -1.36 0.28 0.00 0.00 0.00 0.00 19.45 18.48 1sjj n ALA 807 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1sjj n PHE 808 N -1.34 0.34 -0.05 0.00 -0.00 -1.16 -4.15 117.46 111.09 1sjj n PHE 808 Ca 0.09 -0.17 -0.20 0.00 -0.00 0.00 0.00 57.45 57.18 1sjj n PHE 808 Cb 0.20 0.00 -0.13 0.00 -0.00 0.00 0.00 39.48 39.55 1sjj n PHE 808 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.76 177.20 1sjj n ILE 809 N 0.97 1.66 0.18 -2.13 -6.64 0.07 -4.65 119.36 108.82 1sjj n ILE 809 Ca 0.18 -0.62 0.02 0.00 -1.77 0.00 0.00 62.75 60.55 1sjj n ILE 809 Cb 0.49 -1.59 0.32 0.00 -1.44 0.00 0.00 39.64 37.42 1sjj n ILE 809 CO 0.00 0.00 0.00 -2.24 -1.77 0.00 0.00 176.55 172.54 1sjj h ASP 810 N 0.04 0.00 0.55 7.28 3.04 -1.69 -2.72 116.42 122.92 1sjj h ASP 810 Ca -0.49 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.27 1sjj h ASP 810 Cb 1.98 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 40.26 1sjj h ASP 810 CO 0.01 0.43 -0.16 2.19 -2.04 0.00 0.00 179.24 179.67 1sjj h PHE 811 N 0.00 0.00 0.53 4.15 -5.15 -1.83 -3.18 116.94 111.46 1sjj h PHE 811 Ca -0.00 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.74 1sjj h PHE 811 Cb 0.79 0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.96 1sjj h PHE 811 CO 0.00 0.16 -0.25 0.52 -2.00 0.00 0.00 178.31 176.74 1sjj h MET 812 N 0.00 -0.68 -2.87 6.09 2.86 -1.74 -2.80 114.93 115.78 1sjj h MET 812 Ca -0.00 0.05 -0.59 0.00 -2.06 0.00 0.00 59.70 57.10 1sjj h MET 812 Cb 0.48 0.15 0.01 0.00 0.06 0.00 0.00 31.60 32.31 1sjj h MET 812 CO 0.02 -0.38 3.19 -1.13 1.06 0.00 0.00 176.91 179.68 1sjj n SER 813 N -5.30 8.12 0.00 1.22 3.41 -1.20 -1.60 113.62 118.27 1sjj n SER 813 Ca -0.11 -2.55 0.00 0.00 -0.26 0.00 0.00 58.87 55.95 1sjj n SER 813 Cb 0.32 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 62.75 1sjj n SER 813 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1sjj n ARG 814 N 3.44 0.00 0.05 4.33 1.74 -1.24 -4.61 116.66 120.38 1sjj n ARG 814 Ca 0.72 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 57.60 1sjj n ARG 814 Cb 0.33 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.66 1sjj n ARG 814 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1sjj h GLU 815 N 0.00 0.67 -0.00 5.56 5.08 -1.28 -3.11 114.58 121.50 1sjj h GLU 815 Ca 0.00 -0.75 0.00 0.00 -1.00 0.00 0.00 59.36 57.61 1sjj h GLU 815 Cb 0.00 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1sjj h GLU 815 CO 0.00 1.33 -0.00 2.41 -1.00 0.00 0.00 179.01 181.75 1sjj n THR 816 N -3.83 0.00 -2.24 1.13 -1.04 -0.63 -4.39 114.28 103.28 1sjj n THR 816 Ca -0.11 -0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.51 1sjj n THR 816 Cb 0.90 -0.49 -0.03 0.00 -1.82 0.00 0.00 70.33 68.89 1sjj n THR 816 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sjj s ALA 817 N -2.08 2.36 0.00 2.41 0.00 -1.18 -2.69 121.76 120.58 1sjj s ALA 817 Ca 0.45 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.40 1sjj s ALA 817 Cb 0.22 -4.31 0.00 0.00 0.00 0.00 0.00 23.12 19.02 1sjj s ALA 817 CO 0.38 -3.73 0.00 -3.47 0.00 0.00 0.00 175.76 168.94 1sjj n ASP 818 N 11.51 -1.21 -2.89 0.00 2.03 -1.26 -4.91 116.55 119.81 1sjj n ASP 818 Ca 0.16 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.36 1sjj n ASP 818 Cb 0.51 -0.40 -0.00 0.00 -0.72 0.00 0.00 41.12 40.50 1sjj n ASP 818 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1sjj n THR 819 N -3.28 -0.25 -1.24 5.18 -1.04 -1.10 -5.05 114.28 107.51 1sjj n THR 819 Ca 0.00 -1.80 0.00 0.00 -2.04 0.00 0.00 64.05 60.21 1sjj n THR 819 Cb 0.30 0.46 0.00 0.00 -1.82 0.00 0.00 70.33 69.28 1sjj n THR 819 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1sjj n ASP 820 N 2.39 0.00 0.00 8.00 3.85 -1.26 -4.37 116.55 125.17 1sjj n ASP 820 Ca 0.17 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 54.25 1sjj n ASP 820 Cb 0.57 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.34 1sjj n ASP 820 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.20 176.60 1sjj n THR 821 N 0.00 0.00 -0.02 2.12 -1.04 -1.26 -4.76 114.28 109.32 1sjj n THR 821 Ca 0.00 -0.20 -0.02 0.00 -2.04 0.00 0.00 64.05 61.79 1sjj n THR 821 Cb 0.00 1.42 -0.01 0.00 -1.82 0.00 0.00 70.33 69.92 1sjj n THR 821 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1sjj n ALA 822 N -0.12 0.21 0.14 2.41 0.00 -1.26 -3.83 120.51 118.06 1sjj n ALA 822 Ca 0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 53.44 53.06 1sjj n ALA 822 Cb 0.11 0.01 0.15 0.00 0.00 0.00 0.00 19.45 19.71 1sjj n ALA 822 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1sjj h ASP 823 N -0.25 0.00 -0.91 0.00 3.32 -1.96 -1.65 116.42 114.96 1sjj h ASP 823 Ca 0.00 0.00 0.14 0.00 0.02 0.00 0.00 57.03 57.19 1sjj h ASP 823 Cb 0.24 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.64 1sjj h ASP 823 CO 0.00 0.62 -0.35 1.67 -1.72 0.00 0.00 179.24 179.45 1sjj n GLN 824 N -3.61 -0.21 -0.09 3.56 -0.06 -1.26 -2.80 117.38 112.91 1sjj n GLN 824 Ca -0.00 1.40 -0.10 0.00 -2.00 0.00 0.00 57.00 56.30 1sjj n GLN 824 Cb 0.66 -2.08 0.05 0.00 -4.06 0.00 0.00 30.24 24.80 1sjj n GLN 824 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1sjj h VAL 825 N 0.00 1.28 -0.81 1.69 2.07 -1.41 -3.15 116.25 115.92 1sjj h VAL 825 Ca 0.32 -1.48 0.17 0.00 0.82 0.00 0.00 66.70 66.53 1sjj h VAL 825 Cb 0.55 1.34 -0.11 0.00 -1.52 0.00 0.00 31.29 31.55 1sjj h VAL 825 CO -0.90 0.49 0.34 0.24 0.02 0.00 0.00 177.57 177.75 1sjj h MET 826 N 0.68 0.43 -0.65 1.57 2.86 -1.31 -1.95 114.93 116.55 1sjj h MET 826 Ca 0.07 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.72 1sjj h MET 826 Cb 0.87 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 32.39 1sjj h MET 826 CO 0.08 0.28 0.40 0.00 1.06 0.00 0.00 176.91 178.73 1sjj h ALA 827 N 1.61 0.86 -0.01 6.32 0.00 -1.47 -2.61 119.26 123.95 1sjj h ALA 827 Ca 0.47 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 55.17 1sjj h ALA 827 Cb 0.77 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1sjj h ALA 827 CO -0.45 0.14 -0.85 0.77 0.00 0.00 0.00 179.25 178.86 1sjj h SER 828 N 0.77 0.29 -0.22 0.00 0.02 -1.50 -3.17 113.55 109.74 1sjj h SER 828 Ca 0.27 -0.23 -0.14 0.00 -0.84 0.00 0.00 61.79 60.84 1sjj h SER 828 Cb 0.05 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1sjj h SER 828 CO -0.12 1.02 -0.43 -0.26 -1.14 0.00 0.00 176.83 175.90 1sjj h PHE 829 N 0.13 0.86 -0.99 3.45 0.04 -1.41 -3.36 116.94 115.67 1sjj h PHE 829 Ca -0.04 -0.31 0.35 0.00 2.80 0.00 0.00 57.97 60.77 1sjj h PHE 829 Cb 1.47 -0.16 -0.18 0.00 2.20 0.00 0.00 35.95 39.28 1sjj h PHE 829 CO 0.03 1.08 0.31 1.63 -0.60 0.00 0.00 178.31 180.76 1sjj n LYS 830 N -4.19 -0.07 -0.16 1.51 5.02 -0.99 -0.80 118.16 118.49 1sjj n LYS 830 Ca -0.05 1.41 0.14 0.00 -2.02 0.00 0.00 58.31 57.78 1sjj n LYS 830 Cb 0.55 -2.40 0.48 0.00 -0.02 0.00 0.00 35.03 33.64 1sjj n LYS 830 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1sjj h ILE 831 N 0.00 0.84 -0.01 -0.18 2.04 -1.71 -1.29 117.51 117.20 1sjj h ILE 831 Ca 0.73 -0.16 -0.10 0.00 1.00 0.00 0.00 64.86 66.34 1sjj h ILE 831 Cb 1.78 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1sjj h ILE 831 CO -0.83 0.09 -0.45 -0.07 0.00 0.00 0.00 178.15 176.88 1sjj h LEU 832 N 0.47 0.03 0.00 1.44 4.07 -1.21 -2.06 115.31 118.06 1sjj h LEU 832 Ca 0.35 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.30 1sjj h LEU 832 Cb 0.71 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.45 1sjj h LEU 832 CO -0.12 0.48 0.00 0.00 -1.08 0.00 0.00 178.44 177.72 1sjj n ALA 833 N -2.46 2.03 -2.82 1.53 0.00 -0.56 -4.86 120.51 113.37 1sjj n ALA 833 Ca -0.02 -0.09 -0.09 0.00 0.00 0.00 0.00 53.44 53.25 1sjj n ALA 833 Cb 0.47 -1.33 0.03 0.00 0.00 0.00 0.00 19.45 18.63 1sjj n ALA 833 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sjj n GLY 834 N 0.50 0.26 3.45 0.00 0.00 -0.77 -3.94 105.19 104.69 1sjj n GLY 834 Ca 0.08 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 1sjj n GLY 834 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sjj n ASP 835 N -0.91 -5.75 0.00 1.61 8.00 -0.73 -5.01 116.55 113.76 1sjj n ASP 835 Ca -0.04 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 54.95 1sjj n ASP 835 Cb 0.54 -4.76 0.00 0.00 -0.02 0.00 0.00 41.12 36.89 1sjj n ASP 835 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1sjj n LYS 836 N -4.66 2.81 -0.00 -1.24 5.02 -1.25 -5.02 118.16 113.82 1sjj n LYS 836 Ca -0.02 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1sjj n LYS 836 Cb 0.57 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.57 1sjj n LYS 836 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1sjj n ASN 837 N 0.00 4.60 -3.94 4.39 5.03 -1.26 -4.91 115.26 119.17 1sjj n ASN 837 Ca 0.00 -0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.31 1sjj n ASN 837 Cb 0.00 0.33 0.05 0.00 -1.02 0.00 0.00 39.78 39.14 1sjj n ASN 837 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1sjj n TYR 838 N -2.19 -2.63 -3.70 3.10 0.18 -1.26 -4.54 117.16 106.13 1sjj n TYR 838 Ca -0.00 -1.39 -0.11 0.00 1.88 0.00 0.00 57.90 58.28 1sjj n TYR 838 Cb 0.51 -0.40 -0.11 0.00 -0.38 0.00 0.00 39.34 38.96 1sjj n TYR 838 CO 0.00 0.00 0.00 -1.50 -2.08 0.00 0.00 176.86 173.28 1sjj s ILE 839 N -1.54 -0.03 0.38 -3.48 2.07 0.43 -4.40 121.20 114.63 1sjj s ILE 839 Ca 0.42 0.09 -0.19 0.00 -1.41 0.00 0.00 60.65 59.56 1sjj s ILE 839 Cb -0.03 -0.59 -0.10 0.00 0.13 0.00 0.00 42.46 41.87 1sjj s ILE 839 CO 0.27 0.04 0.86 -0.89 -1.91 0.00 0.00 174.94 173.31 1sjj s THR 840 N 1.32 4.49 0.03 4.00 2.01 -1.26 -1.11 115.64 125.12 1sjj s THR 840 Ca -0.09 1.31 -0.19 0.00 0.31 0.00 0.00 61.69 63.02 1sjj s THR 840 Cb -0.08 -3.64 -0.11 0.00 0.01 0.00 0.00 72.50 68.68 1sjj s THR 840 CO -0.12 -0.22 1.29 0.58 -0.69 0.00 0.00 174.62 175.47 1sjj h VAL 841 N 2.01 0.00 0.00 3.82 2.07 -1.78 0.28 116.25 122.66 1sjj h VAL 841 Ca -0.48 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1sjj h VAL 841 Cb 1.18 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1sjj h VAL 841 CO 0.63 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.69 1sjj n ASP 842 N -3.90 1.84 0.00 0.57 8.00 -1.26 0.20 116.55 122.01 1sjj n ASP 842 Ca -0.08 -1.20 0.00 0.00 0.71 0.00 0.00 54.79 54.21 1sjj n ASP 842 Cb 0.27 -0.34 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 1sjj n ASP 842 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1sjj n GLU 843 N 1.00 0.00 -0.07 -1.24 2.13 -1.12 -4.73 120.64 116.61 1sjj n GLU 843 Ca 0.00 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.67 1sjj n GLU 843 Cb 0.26 -0.20 -0.05 0.00 0.27 0.00 0.00 31.44 31.72 1sjj n GLU 843 CO 0.00 0.00 0.00 1.37 -0.41 0.00 0.00 177.13 178.09 1sjj h LEU 844 N 0.00 0.89 -2.40 4.31 8.10 0.44 -3.23 115.31 123.42 1sjj h LEU 844 Ca 0.00 -0.54 -0.11 0.00 0.11 0.00 0.00 57.88 57.34 1sjj h LEU 844 Cb 0.00 -0.26 -0.07 0.00 -0.44 0.00 0.00 40.66 39.90 1sjj h LEU 844 CO 0.00 1.27 0.14 -1.14 -4.11 0.00 0.00 178.44 174.60 1sjj n ARG 845 N -4.08 1.31 0.00 0.17 0.63 0.13 -2.47 116.66 112.35 1sjj n ARG 845 Ca -0.05 -0.68 0.00 0.00 -0.92 0.00 0.00 57.85 56.20 1sjj n ARG 845 Cb 0.60 -1.29 0.00 0.00 0.45 0.00 0.00 32.46 32.23 1sjj n ARG 845 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1sjj n ARG 846 N 0.13 0.00 -0.03 -0.14 3.00 -1.22 -4.80 116.66 113.60 1sjj n ARG 846 Ca 0.13 0.00 -0.15 0.00 -0.01 0.00 0.00 57.85 57.82 1sjj n ARG 846 Cb 0.75 -0.69 -0.09 0.00 0.00 0.00 0.00 32.46 32.43 1sjj n ARG 846 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1sjj h GLU 847 N 0.00 0.34 -6.77 5.56 4.39 -1.56 -3.47 114.58 113.07 1sjj h GLU 847 Ca 0.00 -0.27 -0.49 0.00 0.34 0.00 0.00 59.36 58.94 1sjj h GLU 847 Cb 0.96 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.64 1sjj h GLU 847 CO 0.00 0.91 0.27 -0.51 -1.16 0.00 0.00 179.01 178.52 1sjj s LEU 848 N -8.70 4.36 0.99 1.33 1.43 -1.03 -5.06 118.68 112.00 1sjj s LEU 848 Ca -0.14 1.71 -0.12 0.00 -1.03 0.00 0.00 54.13 54.55 1sjj s LEU 848 Cb 0.04 -3.84 0.18 0.00 0.03 0.00 0.00 46.19 42.60 1sjj s LEU 848 CO 0.77 -0.02 1.08 -2.16 0.23 0.00 0.00 176.35 176.26 1sjj s PRO 849 N -1.95 0.48 0.03 1.29 0.04 -1.26 -4.52 135.00 129.10 1sjj s PRO 849 Ca 0.47 0.95 0.14 0.00 0.04 0.00 0.00 61.00 62.60 1sjj s PRO 849 Cb -0.18 -1.71 0.61 0.00 0.04 0.00 0.00 34.50 33.25 1sjj s PRO 849 CO 0.23 -2.81 1.45 -0.35 0.04 0.00 0.00 177.00 175.56 1sjj n PRO 850 N -4.30 0.02 -0.01 0.56 -0.04 -1.26 -1.71 135.00 128.26 1sjj n PRO 850 Ca 0.07 0.29 -0.00 0.00 -0.04 0.00 0.00 63.50 63.81 1sjj n PRO 850 Cb 0.54 -1.54 -0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1sjj n PRO 850 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1sjj h ASP 851 N 0.00 -0.03 0.34 3.54 5.19 -1.99 -3.18 116.42 120.28 1sjj h ASP 851 Ca 0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 1sjj h ASP 851 Cb 0.24 0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.76 1sjj h ASP 851 CO 0.00 0.21 -0.16 1.56 -3.12 0.00 0.00 179.24 177.73 1sjj h GLN 852 N -0.50 -0.43 -0.30 3.56 7.50 -1.88 -2.97 115.11 120.09 1sjj h GLN 852 Ca -0.00 0.03 0.03 0.00 0.50 0.00 0.00 58.65 59.21 1sjj h GLN 852 Cb 0.02 0.10 -0.04 0.00 0.05 0.00 0.00 27.48 27.61 1sjj h GLN 852 CO 0.01 -0.20 -0.22 0.00 -1.50 0.00 0.00 178.83 176.91 1sjj h ALA 853 N 0.02 -0.32 -0.32 3.87 0.00 -1.53 0.16 119.26 121.15 1sjj h ALA 853 Ca -0.05 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1sjj h ALA 853 Cb 0.43 1.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1sjj h ALA 853 CO 0.08 -0.46 -0.36 0.93 0.00 0.00 0.00 179.25 179.44 1sjj h GLU 854 N -0.06 0.74 -0.88 0.00 4.39 -1.68 -2.99 114.58 114.10 1sjj h GLU 854 Ca 0.05 -0.36 -0.02 0.00 0.34 0.00 0.00 59.36 59.36 1sjj h GLU 854 Cb 0.19 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.79 1sjj h GLU 854 CO -0.31 0.98 0.47 -0.92 -1.16 0.00 0.00 179.01 178.06 1sjj h TYR 855 N 0.62 1.23 -0.98 4.33 -0.00 -1.34 -3.12 116.97 117.71 1sjj h TYR 855 Ca 0.06 -0.04 0.14 0.00 -0.00 0.00 0.00 58.73 58.89 1sjj h TYR 855 Cb 0.89 -0.39 -0.09 0.00 -0.00 0.00 0.00 36.73 37.15 1sjj h TYR 855 CO 0.05 0.86 0.62 0.00 -0.00 0.00 0.00 178.16 179.69 1sjj h ILE 857 N 0.88 0.87 0.12 0.00 2.04 -1.61 0.39 117.51 120.19 1sjj h ILE 857 Ca 0.51 -0.50 -0.34 0.00 1.00 0.00 0.00 64.86 65.53 1sjj h ILE 857 Cb 0.64 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 1sjj h ILE 857 CO -0.28 0.13 -1.84 0.00 0.00 0.00 0.00 178.15 176.16 1sjj h ALA 858 N 1.87 0.41 -0.13 1.87 0.00 -1.47 -3.42 119.26 118.38 1sjj h ALA 858 Ca -0.00 -1.31 -0.23 0.00 0.00 0.00 0.00 54.91 53.37 1sjj h ALA 858 Cb 0.28 0.56 0.01 0.00 0.00 0.00 0.00 17.79 18.64 1sjj h ALA 858 CO 0.02 1.27 -0.81 0.00 0.00 0.00 0.00 179.25 179.73 1sjj h ARG 859 N 0.07 0.77 -7.58 0.00 2.47 0.48 -3.46 114.38 107.13 1sjj h ARG 859 Ca -0.36 -0.65 -0.45 0.00 -1.26 0.00 0.00 59.98 57.25 1sjj h ARG 859 Cb 2.04 0.14 0.14 0.00 -1.65 0.00 0.00 29.97 30.65 1sjj h ARG 859 CO 0.12 1.26 0.31 -1.64 0.56 0.00 0.00 179.97 180.57 1sjj s MET 860 N -3.69 0.85 0.37 0.04 1.00 0.13 -4.72 119.30 113.28 1sjj s MET 860 Ca -0.10 -0.78 0.08 0.00 0.00 0.00 0.00 55.69 54.89 1sjj s MET 860 Cb 0.08 -2.02 -0.06 0.00 0.00 0.00 0.00 34.83 32.83 1sjj s MET 860 CO 0.91 -2.17 0.03 0.00 0.00 0.00 0.00 175.02 173.79 1sjj s ALA 861 N -3.65 3.24 0.95 3.03 0.00 -1.26 -4.95 121.76 119.12 1sjj s ALA 861 Ca 0.73 -2.10 -0.14 0.00 0.00 0.00 0.00 51.96 50.45 1sjj s ALA 861 Cb -0.03 -0.19 0.17 0.00 0.00 0.00 0.00 23.12 23.06 1sjj s ALA 861 CO 0.50 -0.03 1.20 -1.25 0.00 0.00 0.00 175.76 176.19 1sjj s PRO 862 N -3.74 0.82 0.00 0.00 0.04 -1.26 -0.60 135.00 130.26 1sjj s PRO 862 Ca 0.36 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.37 1sjj s PRO 862 Cb 0.04 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1sjj s PRO 862 CO 0.19 -2.35 0.45 2.48 0.04 0.00 0.00 177.00 177.81 1sjj n TYR 863 N -3.81 0.00 -1.46 0.56 4.11 -1.20 -4.03 117.16 111.33 1sjj n TYR 863 Ca 0.11 0.00 -0.44 0.00 -0.00 0.00 0.00 57.90 57.56 1sjj n TYR 863 Cb 0.60 -0.07 -0.12 0.00 -0.00 0.00 0.00 39.34 39.75 1sjj n TYR 863 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 1sjj n ASN 864 N 0.03 0.92 0.00 9.48 5.03 -1.26 -4.88 115.26 124.58 1sjj n ASN 864 Ca 0.00 0.16 0.00 0.00 0.87 0.00 0.00 54.58 55.61 1sjj n ASN 864 Cb 0.18 -1.07 0.00 0.00 -1.02 0.00 0.00 39.78 37.86 1sjj n ASN 864 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1sjj n GLY 865 N 6.58 2.86 0.11 7.41 0.00 -1.26 -5.06 105.19 115.82 1sjj n GLY 865 Ca 0.56 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 1sjj n GLY 865 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sjj n ARG 866 N 0.00 0.68 -0.95 1.61 3.00 -1.26 -4.80 116.66 114.94 1sjj n ARG 866 Ca 0.00 0.17 -0.11 0.00 -0.01 0.00 0.00 57.85 57.89 1sjj n ARG 866 Cb 0.00 -1.64 -0.12 0.00 0.00 0.00 0.00 32.46 30.70 1sjj n ARG 866 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1sjj n ASP 867 N -3.09 5.40 -4.66 0.55 8.00 -1.26 -4.95 116.55 116.54 1sjj n ASP 867 Ca -0.31 -2.55 -0.42 0.00 0.71 0.00 0.00 54.79 52.22 1sjj n ASP 867 Cb 1.07 -1.34 -0.03 0.00 -0.02 0.00 0.00 41.12 40.80 1sjj n ASP 867 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sjj s ALA 868 N 0.51 3.59 0.37 2.24 0.00 -1.26 -5.05 121.76 122.15 1sjj s ALA 868 Ca 0.53 1.15 0.01 0.00 0.00 0.00 0.00 51.96 53.65 1sjj s ALA 868 Cb 0.27 -3.80 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 1sjj s ALA 868 CO -0.02 -1.51 0.57 0.14 0.00 0.00 0.00 175.76 174.94 1sjj s VAL 869 N 4.31 4.73 -1.41 0.00 -7.23 -1.26 -5.00 120.40 114.53 1sjj s VAL 869 Ca 0.82 -0.54 -0.13 0.00 -1.81 0.00 0.00 61.98 60.31 1sjj s VAL 869 Cb -0.38 -3.72 -0.01 0.00 0.56 0.00 0.00 36.38 32.82 1sjj s VAL 869 CO 0.36 -0.45 2.37 -0.81 -0.31 0.00 0.00 175.10 176.26 1sjj n PRO 870 N -1.84 2.89 0.00 4.82 -0.04 -1.26 -4.09 135.00 135.49 1sjj n PRO 870 Ca -0.03 -2.38 0.00 0.00 -0.04 0.00 0.00 63.50 61.05 1sjj n PRO 870 Cb 0.57 -3.10 0.00 0.00 -0.04 0.00 0.00 33.50 30.92 1sjj n PRO 870 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sjj n GLY 871 N 4.00 0.25 3.74 0.55 0.00 -1.26 -4.97 105.19 107.50 1sjj n GLY 871 Ca 0.58 -0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.93 1sjj n GLY 871 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sjj s ALA 872 N 0.00 3.57 0.56 4.61 0.00 -1.26 -2.00 121.76 127.25 1sjj s ALA 872 Ca 0.00 -0.72 0.06 0.00 0.00 0.00 0.00 51.96 51.30 1sjj s ALA 872 Cb 0.00 -1.88 0.05 0.00 0.00 0.00 0.00 23.12 21.29 1sjj s ALA 872 CO 0.00 0.41 0.47 -0.51 0.00 0.00 0.00 175.76 176.13 1sjj s LEU 873 N -0.36 2.72 -0.01 0.00 1.02 -0.26 -3.24 118.68 118.54 1sjj s LEU 873 Ca 0.10 -1.22 -0.00 0.00 0.02 0.00 0.00 54.13 53.03 1sjj s LEU 873 Cb -0.12 -1.21 -0.04 0.00 0.02 0.00 0.00 46.19 44.85 1sjj s LEU 873 CO 0.02 -1.17 0.05 -0.62 0.02 0.00 0.00 176.35 174.65 1sjj s ASP 874 N -4.35 5.51 0.01 2.29 3.68 0.23 -0.43 116.67 123.60 1sjj s ASP 874 Ca 0.37 0.11 0.21 0.00 2.13 0.00 0.00 52.55 55.37 1sjj s ASP 874 Cb -0.03 -1.54 -0.23 0.00 -1.45 0.00 0.00 42.92 39.67 1sjj s ASP 874 CO 0.23 0.28 0.58 0.00 0.13 0.00 0.00 175.17 176.40 1sjj n TYR 875 N 1.31 0.33 0.12 -5.34 0.18 -1.26 -4.16 117.16 108.33 1sjj n TYR 875 Ca -0.14 0.10 -0.14 0.00 1.88 0.00 0.00 57.90 59.61 1sjj n TYR 875 Cb 0.53 -0.74 -0.08 0.00 -0.38 0.00 0.00 39.34 38.67 1sjj n TYR 875 CO 0.00 0.00 0.00 1.98 -2.08 0.00 0.00 176.86 176.76 1sjj h MET 876 N 0.00 -0.24 -0.97 -3.48 4.05 -1.96 -3.03 114.93 109.31 1sjj h MET 876 Ca -0.10 0.02 0.29 0.00 -0.28 0.00 0.00 59.70 59.62 1sjj h MET 876 Cb 1.25 0.05 -0.17 0.00 -0.80 0.00 0.00 31.60 31.93 1sjj h MET 876 CO 0.01 -0.06 0.14 0.77 0.23 0.00 0.00 176.91 178.00 1sjj h SER 877 N -0.38 -0.28 0.26 1.39 0.02 -1.94 0.11 113.55 112.73 1sjj h SER 877 Ca -0.03 0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 1sjj h SER 877 Cb 0.29 0.42 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1sjj h SER 877 CO 0.04 -0.33 -0.13 0.15 -1.14 0.00 0.00 176.83 175.42 1sjj h PHE 878 N 0.04 -0.33 -0.36 3.45 3.57 -1.72 0.12 116.94 121.72 1sjj h PHE 878 Ca 0.62 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 62.19 1sjj h PHE 878 Cb 1.35 0.11 -0.08 0.00 2.79 0.00 0.00 35.95 40.12 1sjj h PHE 878 CO -0.39 -0.01 -0.19 1.03 -2.23 0.00 0.00 178.31 176.53 1sjj h SER 879 N -0.65 -0.63 -0.08 0.41 0.87 -1.49 -0.30 113.55 111.67 1sjj h SER 879 Ca -0.04 0.14 0.04 0.00 -1.23 0.00 0.00 61.79 60.71 1sjj h SER 879 Cb 0.46 0.34 -0.05 0.00 -0.44 0.00 0.00 62.40 62.71 1sjj h SER 879 CO 0.06 -0.22 -0.22 0.74 -0.53 0.00 0.00 176.83 176.66 1sjj h THR 880 N -0.13 0.47 0.00 2.23 2.02 -0.80 -1.34 112.91 115.37 1sjj h THR 880 Ca 0.18 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.36 1sjj h THR 880 Cb 0.40 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1sjj h THR 880 CO -0.44 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.45 1sjj n ALA 881 N -2.65 2.48 -0.00 6.16 0.00 0.41 -3.57 120.51 123.33 1sjj n ALA 881 Ca -0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 53.44 53.24 1sjj n ALA 881 Cb 0.26 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.30 1sjj n ALA 881 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1sjj n LEU 882 N -0.98 0.55 -3.99 0.00 -0.00 -0.18 -4.72 117.00 107.68 1sjj n LEU 882 Ca 0.19 -0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.80 1sjj n LEU 882 Cb 0.09 0.01 -0.02 0.00 -0.00 0.00 0.00 43.42 43.50 1sjj n LEU 882 CO 0.14 0.11 0.80 -1.22 -0.00 0.00 0.00 177.39 177.23 1sjj n TYR 883 N -2.12 3.32 -2.80 1.47 4.01 -0.52 -4.88 117.16 115.63 1sjj n TYR 883 Ca -0.01 -3.29 0.03 0.00 -0.16 0.00 0.00 57.90 54.47 1sjj n TYR 883 Cb 0.52 -1.22 0.01 0.00 -0.31 0.00 0.00 39.34 38.34 1sjj n TYR 883 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1sjj s GLY 884 N -1.08 -1.41 0.52 2.72 0.00 -1.23 -4.79 107.32 102.04 1sjj s GLY 884 Ca 0.32 1.71 -0.08 0.00 0.00 0.00 0.00 44.72 46.67 1sjj s GLY 884 CO 0.02 4.38 0.87 -0.54 0.00 0.00 0.00 173.10 177.83 1sjj s GLU 885 N 2.24 3.60 -0.35 2.90 2.02 -1.26 -4.86 118.70 122.99 1sjj s GLU 885 Ca 0.19 0.44 -0.02 0.00 0.02 0.00 0.00 54.97 55.60 1sjj s GLU 885 Cb 0.03 -2.27 0.19 0.00 0.10 0.00 0.00 34.13 32.18 1sjj s GLU 885 CO -0.18 -0.31 2.18 0.45 0.02 0.00 0.00 175.26 177.42 1sjj n SER 886 N -2.28 6.49 0.00 -0.19 2.88 -1.26 -4.55 113.62 114.71 1sjj n SER 886 Ca 0.03 -3.10 0.00 0.00 -1.33 0.00 0.00 58.87 54.46 1sjj n SER 886 Cb 0.55 -1.09 0.00 0.00 -0.75 0.00 0.00 64.21 62.91 1sjj n SER 886 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1sjj n ASP 887 N 0.44 0.00 0.00 -3.46 -0.08 -1.26 -5.25 116.55 106.93 1sjj n ASP 887 Ca 0.34 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.62 1sjj n ASP 887 Cb 0.58 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.04 1sjj n ASP 887 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21