#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2l s MET 2 N 0.00 4.48 0.33 4.33 1.00 -1.26 -1.60 119.30 126.58 3h2l s MET 2 Ca 0.00 1.74 0.10 0.00 0.00 0.00 0.00 55.69 57.53 3h2l s MET 2 Cb 0.00 -3.33 0.87 0.00 0.00 0.00 0.00 34.83 32.36 3h2l s MET 2 CO 0.00 -0.17 1.77 0.66 0.00 0.00 0.00 175.02 177.29 3h2l h SER 3 N 6.35 0.67 -5.03 3.03 4.64 -0.99 -3.39 113.55 118.82 3h2l h SER 3 Ca -0.42 0.10 -0.12 0.00 -0.47 0.00 0.00 61.79 60.88 3h2l h SER 3 Cb 1.21 -0.02 -0.19 0.00 -0.31 0.00 0.00 62.40 63.10 3h2l h SER 3 CO 0.78 0.19 -0.39 -0.31 -0.87 0.00 0.00 176.83 176.24 3h2l s TYR 4 N -5.74 0.00 -0.04 4.77 2.02 -1.26 -1.23 117.35 115.87 3h2l s TYR 4 Ca -0.10 -0.13 0.06 0.00 -0.37 0.00 0.00 57.07 56.53 3h2l s TYR 4 Cb 0.25 -0.00 -0.01 0.00 -0.40 0.00 0.00 41.96 41.80 3h2l s TYR 4 CO 0.80 -0.39 -0.23 0.99 -1.57 0.00 0.00 175.55 175.14 3h2l s THR 5 N -2.07 1.90 -0.01 -0.71 2.01 -0.45 -4.85 115.64 111.46 3h2l s THR 5 Ca -0.09 -1.00 0.07 0.00 0.31 0.00 0.00 61.69 60.98 3h2l s THR 5 Cb -0.03 -1.60 -0.02 0.00 0.01 0.00 0.00 72.50 70.86 3h2l s THR 5 CO -0.01 0.53 -0.21 0.26 -0.69 0.00 0.00 174.62 174.50 3h2l s TRP 6 N -0.28 2.48 -0.07 4.92 0.52 -1.26 -0.82 118.94 124.43 3h2l s TRP 6 Ca 0.01 -0.32 0.13 0.00 0.02 0.00 0.00 56.10 55.94 3h2l s TRP 6 Cb -0.12 -1.53 -0.10 0.00 -1.15 0.00 0.00 33.47 30.58 3h2l s TRP 6 CO 0.02 0.09 1.12 1.79 0.02 0.00 0.00 176.95 179.99 3h2l h THR 7 N 4.34 0.95 0.00 2.01 1.35 -1.46 -3.47 112.91 116.63 3h2l h THR 7 Ca -0.45 -2.49 0.00 0.00 -0.55 0.00 0.00 66.41 62.92 3h2l h THR 7 Cb 1.14 2.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.96 3h2l h THR 7 CO 0.48 0.54 0.00 0.61 -0.25 0.00 0.00 175.52 176.90 3h2l n GLY 8 N 1.35 2.14 3.76 5.82 0.00 -1.26 -5.07 105.19 111.93 3h2l n GLY 8 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3h2l n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2l n ALA 9 N -0.43 2.39 -1.80 4.61 0.00 -1.26 -4.96 120.51 119.05 3h2l n ALA 9 Ca 0.00 0.36 -0.35 0.00 0.00 0.00 0.00 53.44 53.45 3h2l n ALA 9 Cb 0.00 -2.43 -0.05 0.00 0.00 0.00 0.00 19.45 16.96 3h2l n ALA 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3h2l s LEU 10 N -1.23 4.02 -0.11 0.00 1.43 -1.26 -4.81 118.68 116.72 3h2l s LEU 10 Ca 0.59 1.84 -0.30 0.00 -1.03 0.00 0.00 54.13 55.23 3h2l s LEU 10 Cb -0.49 -4.39 -0.02 0.00 0.03 0.00 0.00 46.19 41.32 3h2l s LEU 10 CO 0.56 -0.44 1.17 -0.63 0.23 0.00 0.00 176.35 177.24 3h2l s ILE 11 N -1.94 4.40 0.16 -0.59 1.01 -1.26 -4.82 121.20 118.15 3h2l s ILE 11 Ca 0.61 1.70 0.09 0.00 0.00 0.00 0.00 60.65 63.04 3h2l s ILE 11 Cb -0.15 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 3h2l s ILE 11 CO 0.19 -0.06 -0.11 0.42 0.00 0.00 0.00 174.94 175.38 3h2l s THR 12 N 2.62 3.15 0.67 2.92 -4.23 -1.26 -4.83 115.64 114.69 3h2l s THR 12 Ca 0.53 -1.59 -0.06 0.00 -1.18 0.00 0.00 61.69 59.40 3h2l s THR 12 Cb -0.22 -2.53 0.05 0.00 1.34 0.00 0.00 72.50 71.14 3h2l s THR 12 CO 0.18 -0.05 0.97 -2.16 -0.54 0.00 0.00 174.62 173.02 3h2l s PRO 13 N -2.64 2.39 -0.23 3.99 0.04 -1.26 -4.36 135.00 132.94 3h2l s PRO 13 Ca 0.23 -0.24 -0.18 0.00 0.04 0.00 0.00 61.00 60.85 3h2l s PRO 13 Cb -0.09 -2.22 -0.17 0.00 0.04 0.00 0.00 34.50 32.06 3h2l s PRO 13 CO 0.14 -1.07 0.03 0.00 0.04 0.00 0.00 177.00 176.14 3h2l s ALA 15 N -2.42 4.15 0.59 0.00 0.00 -1.26 -5.11 121.76 117.71 3h2l s ALA 15 Ca -0.32 -1.34 -0.19 0.00 0.00 0.00 0.00 51.96 50.10 3h2l s ALA 15 Cb 0.09 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 3h2l s ALA 15 CO 0.56 -0.29 1.25 0.00 0.00 0.00 0.00 175.76 177.28 3h2l s ALA 16 N -2.73 2.57 -0.19 0.00 0.00 -1.26 -5.01 121.76 115.14 3h2l s ALA 16 Ca 0.32 1.10 0.01 0.00 0.00 0.00 0.00 51.96 53.39 3h2l s ALA 16 Cb -0.00 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.66 3h2l s ALA 16 CO 0.19 -1.26 -0.18 -1.21 0.00 0.00 0.00 175.76 173.29 3h2l s GLU 17 N -3.24 2.89 0.07 0.00 2.02 -1.26 -5.10 118.70 114.08 3h2l s GLU 17 Ca 0.77 -0.90 -0.27 0.00 0.02 0.00 0.00 54.97 54.59 3h2l s GLU 17 Cb -0.33 -2.63 -0.05 0.00 0.10 0.00 0.00 34.13 31.22 3h2l s GLU 17 CO 0.37 -0.26 0.85 -1.21 0.02 0.00 0.00 175.26 175.03 3h2l s GLU 18 N 1.27 4.58 -0.13 1.61 2.02 -1.26 -4.96 118.70 121.83 3h2l s GLU 18 Ca 0.03 1.23 0.06 0.00 0.02 0.00 0.00 54.97 56.31 3h2l s GLU 18 Cb -0.14 -3.37 -0.12 0.00 0.10 0.00 0.00 34.13 30.60 3h2l s GLU 18 CO -0.12 0.24 -0.04 -1.13 0.02 0.00 0.00 175.26 174.23 3h2l n SER 19 N 2.86 2.52 -4.77 -0.19 3.41 -1.26 -4.63 113.62 111.56 3h2l n SER 19 Ca -0.00 -0.04 -0.39 0.00 -0.26 0.00 0.00 58.87 58.18 3h2l n SER 19 Cb 0.50 0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 64.71 3h2l n SER 19 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3h2l s LYS 20 N -2.28 4.42 0.05 4.33 -0.14 -1.26 -0.97 119.74 123.88 3h2l s LYS 20 Ca -0.12 1.80 -0.30 0.00 -1.36 0.00 0.00 55.97 55.98 3h2l s LYS 20 Cb 0.04 -2.96 -0.09 0.00 -1.68 0.00 0.00 37.83 33.14 3h2l s LYS 20 CO 0.40 0.01 1.95 -1.17 -0.76 0.00 0.00 175.35 175.79 3h2l s LEU 21 N -1.89 4.43 0.34 3.17 2.96 -1.25 -4.88 118.68 121.55 3h2l s LEU 21 Ca 0.50 2.70 -0.28 0.00 -0.22 0.00 0.00 54.13 56.82 3h2l s LEU 21 Cb -0.31 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 42.75 3h2l s LEU 21 CO 0.39 -1.05 1.22 -2.84 -1.32 0.00 0.00 176.35 172.75 3h2l s PRO 22 N 4.20 4.35 -0.07 0.98 0.02 -1.26 -5.04 135.00 138.19 3h2l s PRO 22 Ca 0.88 2.01 0.05 0.00 0.02 0.00 0.00 61.00 63.96 3h2l s PRO 22 Cb -0.43 -3.00 -0.01 0.00 0.02 0.00 0.00 34.50 31.08 3h2l s PRO 22 CO 0.41 -0.12 -0.23 0.42 -0.33 0.00 0.00 177.00 177.15 3h2l s ILE 23 N -1.21 1.92 0.00 2.83 -1.09 -1.26 -4.68 121.20 117.71 3h2l s ILE 23 Ca 0.50 -0.98 0.00 0.00 -2.23 0.00 0.00 60.65 57.94 3h2l s ILE 23 Cb -0.35 -1.64 0.00 0.00 -1.58 0.00 0.00 42.46 38.88 3h2l s ILE 23 CO 0.46 0.54 0.00 -0.46 -1.23 0.00 0.00 174.94 174.25 3h2l n ASN 24 N 3.14 0.47 0.01 3.58 6.94 -1.26 -5.02 115.26 123.12 3h2l n ASN 24 Ca -0.18 -0.88 0.05 0.00 -0.02 0.00 0.00 54.58 53.55 3h2l n ASN 24 Cb 0.52 0.00 0.22 0.00 -2.36 0.00 0.00 39.78 38.16 3h2l n ASN 24 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3h2l n ALA 25 N -3.00 1.44 0.13 -2.53 0.00 -1.26 -2.81 120.51 112.48 3h2l n ALA 25 Ca 0.00 -0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.51 3h2l n ALA 25 Cb 0.00 -1.16 -0.15 0.00 0.00 0.00 0.00 19.45 18.14 3h2l n ALA 25 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3h2l n LEU 26 N -1.53 0.13 -0.13 0.00 4.77 -1.26 -4.67 117.00 114.32 3h2l n LEU 26 Ca 0.02 -0.07 -0.04 0.00 -0.03 0.00 0.00 56.01 55.89 3h2l n LEU 26 Cb 0.11 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.24 3h2l n LEU 26 CO 0.09 0.03 0.85 0.28 -1.33 0.00 0.00 177.39 177.32 3h2l h SER 27 N 0.00 -0.15 0.46 -1.43 0.02 -1.86 -2.47 113.55 108.12 3h2l h SER 27 Ca 0.00 0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 3h2l h SER 27 Cb 0.83 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 3h2l h SER 27 CO 0.00 -0.04 -0.19 0.78 -1.14 0.00 0.00 176.83 176.24 3h2l h ASN 28 N 0.12 0.00 0.17 3.07 2.35 -1.80 -0.55 115.58 118.93 3h2l h ASN 28 Ca 0.21 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.90 3h2l h ASN 28 Cb 0.29 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 3h2l h ASN 28 CO -0.34 0.19 -0.21 0.77 -1.65 0.00 0.00 177.43 176.19 3h2l h SER 29 N 0.00 0.08 0.09 5.81 4.64 -1.74 -3.22 113.55 119.21 3h2l h SER 29 Ca -0.00 -0.02 -0.31 0.00 -0.47 0.00 0.00 61.79 60.99 3h2l h SER 29 Cb 0.47 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 3h2l h SER 29 CO 0.02 0.30 -1.65 0.25 -0.87 0.00 0.00 176.83 174.88 3h2l h LEU 30 N 0.08 0.30 -7.04 5.97 5.85 -1.38 -3.42 115.31 115.68 3h2l h LEU 30 Ca 0.01 -0.81 0.01 0.00 0.84 0.00 0.00 57.88 57.93 3h2l h LEU 30 Cb 0.42 -0.10 -0.22 0.00 0.37 0.00 0.00 40.66 41.13 3h2l h LEU 30 CO 0.03 1.70 -0.09 -0.22 -0.34 0.00 0.00 178.44 179.52 3h2l s LEU 31 N -7.40 -0.86 -0.07 2.25 0.20 -0.30 -4.20 118.68 108.30 3h2l s LEU 31 Ca -0.23 1.41 0.04 0.00 0.69 0.00 0.00 54.13 56.04 3h2l s LEU 31 Cb 0.06 2.15 -0.24 0.00 -0.43 0.00 0.00 46.19 47.72 3h2l s LEU 31 CO 0.72 -0.23 0.55 0.54 -0.29 0.00 0.00 176.35 177.65 3h2l n ARG 32 N 4.67 0.69 -2.27 1.98 5.12 0.97 -4.08 116.66 123.73 3h2l n ARG 32 Ca -0.18 0.29 -0.42 0.00 -1.93 0.00 0.00 57.85 55.61 3h2l n ARG 32 Cb 0.55 -1.76 0.00 0.00 -1.16 0.00 0.00 32.46 30.09 3h2l n ARG 32 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3h2l n HIS 33 N -3.24 2.82 -0.20 -1.55 8.25 -0.19 -4.78 115.22 116.33 3h2l n HIS 33 Ca -0.23 -2.78 0.12 0.00 -0.26 0.00 0.00 57.72 54.57 3h2l n HIS 33 Cb 1.05 -1.90 0.43 0.00 1.12 0.00 0.00 29.99 30.69 3h2l n HIS 33 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3h2l h HIS 34 N 5.46 0.66 0.00 4.41 3.86 -1.84 -1.28 115.15 126.43 3h2l h HIS 34 Ca 0.46 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.69 3h2l h HIS 34 Cb 0.55 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.81 3h2l h HIS 34 CO 1.33 0.28 0.00 0.27 0.86 0.00 0.00 177.93 180.66 3h2l n ASN 35 N -4.51 0.00 0.16 2.45 6.94 -1.26 -1.80 115.26 117.24 3h2l n ASN 35 Ca 0.14 0.14 0.04 0.00 -0.02 0.00 0.00 54.58 54.88 3h2l n ASN 35 Cb 0.43 -0.34 0.14 0.00 -2.36 0.00 0.00 39.78 37.66 3h2l n ASN 35 CO 0.00 0.00 0.00 0.24 -1.03 0.00 0.00 177.26 176.47 3h2l h MET 36 N 0.00 0.00 -5.53 -3.83 2.86 -1.63 -3.46 114.93 103.35 3h2l h MET 36 Ca 0.00 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 57.03 3h2l h MET 36 Cb 0.21 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 31.78 3h2l h MET 36 CO 0.00 0.43 -0.38 0.08 1.06 0.00 0.00 176.91 178.10 3h2l s VAL 37 N -3.17 5.33 0.05 -2.22 1.01 -0.75 -0.01 120.40 120.64 3h2l s VAL 37 Ca 0.03 0.44 -0.07 0.00 0.00 0.00 0.00 61.98 62.39 3h2l s VAL 37 Cb 0.08 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 3h2l s VAL 37 CO 0.72 0.46 0.12 -0.72 0.00 0.00 0.00 175.10 175.68 3h2l s TYR 38 N 0.01 0.19 -0.04 5.22 1.13 -0.50 -3.76 117.35 119.60 3h2l s TYR 38 Ca 0.15 -0.52 0.02 0.00 -1.41 0.00 0.00 57.07 55.31 3h2l s TYR 38 Cb -0.13 -0.13 -0.03 0.00 -1.10 0.00 0.00 41.96 40.58 3h2l s TYR 38 CO 0.04 -0.41 -0.09 0.00 -2.51 0.00 0.00 175.55 172.57 3h2l s ALA 39 N -2.95 2.90 0.56 9.51 0.00 -0.14 -0.85 121.76 130.78 3h2l s ALA 39 Ca -0.02 -0.96 -0.19 0.00 0.00 0.00 0.00 51.96 50.79 3h2l s ALA 39 Cb 0.01 -1.12 -0.05 0.00 0.00 0.00 0.00 23.12 21.96 3h2l s ALA 39 CO -0.06 0.58 1.16 0.95 0.00 0.00 0.00 175.76 178.39 3h2l s THR 40 N -0.85 2.95 0.22 0.00 -4.23 -0.20 -4.51 115.64 109.03 3h2l s THR 40 Ca 0.14 0.60 0.01 0.00 -1.18 0.00 0.00 61.69 61.25 3h2l s THR 40 Cb -0.11 -3.24 -0.05 0.00 1.34 0.00 0.00 72.50 70.44 3h2l s THR 40 CO 0.03 -0.12 0.06 0.42 -0.54 0.00 0.00 174.62 174.47 3h2l s THR 41 N -1.69 0.55 0.61 3.99 -4.23 -1.26 -4.08 115.64 109.54 3h2l s THR 41 Ca 0.74 -1.99 0.30 0.00 -1.18 0.00 0.00 61.69 59.56 3h2l s THR 41 Cb -0.27 -2.40 0.35 0.00 1.34 0.00 0.00 72.50 71.52 3h2l s THR 41 CO 0.30 -0.20 1.98 0.77 -0.54 0.00 0.00 174.62 176.93 3h2l h SER 42 N 2.54 0.00 0.45 3.99 4.64 -1.86 -2.48 113.55 120.82 3h2l h SER 42 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3h2l h SER 42 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3h2l h SER 42 CO 0.61 0.00 0.00 0.03 -0.87 0.00 0.00 176.83 176.60 3h2l h ARG 43 N 0.00 0.00 -0.56 4.77 -0.00 -1.96 -1.29 114.38 115.34 3h2l h ARG 43 Ca 0.11 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.59 3h2l h ARG 43 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.75 3h2l h ARG 43 CO -0.00 0.00 0.00 -1.13 0.00 0.00 0.00 179.97 178.84 3h2l n SER 44 N -2.48 3.53 0.14 7.04 3.41 -0.93 -4.61 113.62 119.72 3h2l n SER 44 Ca 0.00 -1.99 0.03 0.00 -0.26 0.00 0.00 58.87 56.65 3h2l n SER 44 Cb 0.16 -0.37 0.41 0.00 -0.26 0.00 0.00 64.21 64.15 3h2l n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h2l h ALA 45 N 3.51 1.54 -0.89 7.33 0.00 -1.38 -2.10 119.26 127.27 3h2l h ALA 45 Ca 0.00 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.76 3h2l h ALA 45 Cb 0.89 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 3h2l h ALA 45 CO 0.00 0.33 0.58 0.78 0.00 0.00 0.00 179.25 180.94 3h2l h GLY 46 N 0.72 1.29 1.28 0.00 0.00 -1.81 0.22 103.07 104.76 3h2l h GLY 46 Ca 0.03 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 3h2l h GLY 46 CO 0.02 0.33 0.05 1.41 0.00 0.00 0.00 176.54 178.35 3h2l h LEU 47 N 1.05 0.84 -0.16 3.11 3.38 -1.72 -2.14 115.31 119.66 3h2l h LEU 47 Ca 0.37 -0.19 -0.20 0.00 0.09 0.00 0.00 57.88 57.95 3h2l h LEU 47 Cb 0.13 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.66 3h2l h LEU 47 CO -0.13 0.87 -0.66 -0.09 0.09 0.00 0.00 178.44 178.52 3h2l h ARG 48 N 0.83 0.74 -0.54 1.13 9.65 -1.22 -3.12 114.38 121.84 3h2l h ARG 48 Ca 0.17 -0.58 0.11 0.00 -1.10 0.00 0.00 59.98 58.58 3h2l h ARG 48 Cb 0.42 0.11 -0.10 0.00 -1.39 0.00 0.00 29.97 29.01 3h2l h ARG 48 CO 0.01 1.19 -0.08 1.96 2.80 0.00 0.00 179.97 185.85 3h2l h GLN 49 N 0.45 0.04 -0.55 0.20 4.20 -0.41 -1.39 115.11 117.65 3h2l h GLN 49 Ca -0.04 -0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.78 3h2l h GLN 49 Cb 1.29 -0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.97 3h2l h GLN 49 CO 0.14 0.03 0.03 -0.22 -0.67 0.00 0.00 178.83 178.13 3h2l h LYS 50 N 0.04 0.14 -0.47 1.46 3.64 -1.36 -2.84 116.57 117.18 3h2l h LYS 50 Ca 0.27 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.51 3h2l h LYS 50 Cb 0.41 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 3h2l h LYS 50 CO -0.52 0.09 -0.20 0.87 -2.27 0.00 0.00 179.45 177.42 3h2l h LYS 51 N 0.14 0.97 -0.01 1.90 1.57 -1.23 -3.23 116.57 116.68 3h2l h LYS 51 Ca 0.28 -0.41 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3h2l h LYS 51 Cb 0.44 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3h2l h LYS 51 CO -0.45 1.08 -0.14 1.33 -0.57 0.00 0.00 179.45 180.71 3h2l n VAL 52 N -4.14 0.00 -3.47 0.50 0.24 -0.69 -4.77 118.33 106.00 3h2l n VAL 52 Ca -0.00 -0.09 -0.43 0.00 -2.04 0.00 0.00 64.34 61.78 3h2l n VAL 52 Cb 0.45 0.06 -0.09 0.00 -1.47 0.00 0.00 33.84 32.78 3h2l n VAL 52 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3h2l s THR 53 N -2.45 5.10 0.23 3.34 2.01 -1.08 -4.70 115.64 118.08 3h2l s THR 53 Ca 0.28 -0.85 -0.20 0.00 0.31 0.00 0.00 61.69 61.24 3h2l s THR 53 Cb 0.20 -3.92 0.03 0.00 0.01 0.00 0.00 72.50 68.82 3h2l s THR 53 CO 0.48 -0.39 0.61 0.72 -0.69 0.00 0.00 174.62 175.35 3h2l s PHE 54 N 1.64 -0.19 0.27 4.92 -0.71 -1.26 -4.97 117.98 117.68 3h2l s PHE 54 Ca 0.04 -0.18 -0.25 0.00 -1.04 0.00 0.00 56.93 55.50 3h2l s PHE 54 Cb -0.21 0.53 -0.09 0.00 -1.21 0.00 0.00 43.02 42.04 3h2l s PHE 54 CO 0.08 -1.04 0.88 0.34 -1.34 0.00 0.00 175.22 174.15 3h2l s ASP 55 N -2.88 7.34 -0.13 1.98 2.15 -1.26 -0.35 116.67 123.53 3h2l s ASP 55 Ca 0.09 1.75 -0.00 0.00 0.43 0.00 0.00 52.55 54.83 3h2l s ASP 55 Cb -0.03 -2.55 -0.02 0.00 -0.30 0.00 0.00 42.92 40.03 3h2l s ASP 55 CO 0.00 0.02 -0.13 -0.13 -0.17 0.00 0.00 175.17 174.76 3h2l s ARG 56 N -1.79 3.35 0.09 4.34 3.00 -0.62 -4.94 118.95 122.37 3h2l s ARG 56 Ca 0.46 -0.68 0.07 0.00 0.00 0.00 0.00 55.73 55.58 3h2l s ARG 56 Cb -0.20 -2.63 -0.04 0.00 0.00 0.00 0.00 34.95 32.09 3h2l s ARG 56 CO 0.25 0.24 -0.13 -0.51 0.00 0.00 0.00 175.30 175.14 3h2l s LEU 57 N 0.29 2.89 -0.11 2.53 1.43 -1.26 -2.92 118.68 121.54 3h2l s LEU 57 Ca -0.10 -0.41 -0.05 0.00 -1.03 0.00 0.00 54.13 52.54 3h2l s LEU 57 Cb -0.16 -1.71 0.05 0.00 0.03 0.00 0.00 46.19 44.41 3h2l s LEU 57 CO 0.05 0.20 0.25 -1.58 0.23 0.00 0.00 176.35 175.51 3h2l s GLN 58 N -1.99 0.19 -0.23 1.70 0.74 -1.26 -4.05 119.66 114.76 3h2l s GLN 58 Ca 0.19 0.59 0.01 0.00 0.05 0.00 0.00 55.36 56.19 3h2l s GLN 58 Cb -0.11 -0.10 0.06 0.00 1.10 0.00 0.00 33.01 33.96 3h2l s GLN 58 CO 0.11 -0.19 -0.04 0.08 -0.55 0.00 0.00 175.29 174.69 3h2l s VAL 59 N 1.56 1.47 -0.18 1.34 1.01 0.07 -5.02 120.40 120.65 3h2l s VAL 59 Ca -0.07 -1.20 -0.05 0.00 0.00 0.00 0.00 61.98 60.66 3h2l s VAL 59 Cb -0.11 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 3h2l s VAL 59 CO -0.09 -0.12 0.00 -0.76 0.00 0.00 0.00 175.10 174.13 3h2l s LEU 60 N 1.42 3.36 0.00 3.92 1.43 -1.26 -4.38 118.68 123.17 3h2l s LEU 60 Ca -0.05 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 3h2l s LEU 60 Cb -0.19 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.21 3h2l s LEU 60 CO -0.07 0.12 0.18 -0.90 0.23 0.00 0.00 176.35 175.91 3h2l n ASP 61 N 3.90 2.38 -0.16 2.29 5.75 -1.26 -4.98 116.55 124.47 3h2l n ASP 61 Ca -0.17 -2.29 -0.05 0.00 -0.01 0.00 0.00 54.79 52.27 3h2l n ASP 61 Cb 0.52 0.06 0.04 0.00 -1.03 0.00 0.00 41.12 40.71 3h2l n ASP 61 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3h2l h ASP 62 N 0.54 0.37 -0.76 -1.12 3.32 -1.99 -2.34 116.42 114.45 3h2l h ASP 62 Ca -0.24 0.02 0.14 0.00 0.02 0.00 0.00 57.03 56.98 3h2l h ASP 62 Cb 0.82 -0.05 -0.10 0.00 0.22 0.00 0.00 39.33 40.23 3h2l h ASP 62 CO 0.38 0.26 0.30 0.45 -1.72 0.00 0.00 179.24 178.91 3h2l h HIS 63 N 0.50 0.52 0.38 4.55 3.86 -1.97 0.27 115.15 123.25 3h2l h HIS 63 Ca 0.21 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.44 3h2l h HIS 63 Cb 0.11 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.47 3h2l h HIS 63 CO -0.10 0.06 -0.20 -0.92 0.86 0.00 0.00 177.93 177.63 3h2l h TYR 64 N 0.44 -0.53 -0.23 2.45 3.20 -1.76 -1.92 116.97 118.63 3h2l h TYR 64 Ca 0.42 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.20 3h2l h TYR 64 Cb 0.63 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 3h2l h TYR 64 CO -0.16 -0.32 -0.19 0.00 -1.64 0.00 0.00 178.16 175.85 3h2l h ARG 65 N -0.54 0.40 0.02 1.82 3.08 -0.93 -1.82 114.38 116.42 3h2l h ARG 65 Ca -0.05 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 59.88 3h2l h ARG 65 Cb 0.43 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3h2l h ARG 65 CO 0.07 0.58 -0.01 -0.44 -1.07 0.00 0.00 179.97 179.10 3h2l h ASP 66 N 0.37 -0.03 -0.51 7.04 3.32 -0.31 -0.46 116.42 125.84 3h2l h ASP 66 Ca 0.06 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3h2l h ASP 66 Cb 0.54 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.08 3h2l h ASP 66 CO 0.04 0.05 0.17 0.58 -1.72 0.00 0.00 179.24 178.36 3h2l h VAL 67 N -0.10 1.23 -0.64 -1.35 2.07 -1.23 -2.50 116.25 113.73 3h2l h VAL 67 Ca -0.00 -0.75 0.06 0.00 0.82 0.00 0.00 66.70 66.83 3h2l h VAL 67 Cb 0.09 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.55 3h2l h VAL 67 CO 0.01 0.28 0.34 0.25 0.02 0.00 0.00 177.57 178.46 3h2l h LEU 68 N 0.70 0.49 -0.29 2.57 5.85 -1.22 -0.87 115.31 122.54 3h2l h LEU 68 Ca 0.17 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.97 3h2l h LEU 68 Cb 0.26 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 3h2l h LEU 68 CO -0.01 0.31 0.02 0.50 -0.34 0.00 0.00 178.44 178.92 3h2l h LYS 69 N 0.63 0.11 -0.46 1.25 3.64 -0.81 -1.48 116.57 119.44 3h2l h LYS 69 Ca 0.29 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.73 3h2l h LYS 69 Cb 0.22 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.96 3h2l h LYS 69 CO -0.20 0.07 0.17 0.93 -2.27 0.00 0.00 179.45 178.15 3h2l h GLU 70 N 0.11 0.33 -0.82 1.90 5.08 -0.98 -1.67 114.58 118.54 3h2l h GLU 70 Ca 0.14 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3h2l h GLU 70 Cb 0.17 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 3h2l h GLU 70 CO -0.22 0.22 0.46 0.52 -1.00 0.00 0.00 179.01 179.00 3h2l h MET 71 N 0.34 1.13 -0.34 2.33 2.86 -0.85 -2.09 114.93 118.32 3h2l h MET 71 Ca 0.22 -0.12 -0.13 0.00 -2.06 0.00 0.00 59.70 57.60 3h2l h MET 71 Cb 0.21 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 3h2l h MET 71 CO -0.21 0.82 -0.32 0.87 1.06 0.00 0.00 176.91 179.13 3h2l h LYS 72 N 1.13 0.73 -0.62 1.72 1.57 -1.10 0.17 116.57 120.17 3h2l h LYS 72 Ca 0.29 -0.34 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3h2l h LYS 72 Cb 0.01 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 3h2l h LYS 72 CO -0.05 0.95 0.40 0.00 -0.57 0.00 0.00 179.45 180.18 3h2l h ALA 73 N 1.03 0.80 -0.27 3.86 0.00 -0.96 -0.57 119.26 123.15 3h2l h ALA 73 Ca 0.07 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3h2l h ALA 73 Cb 0.84 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3h2l h ALA 73 CO 0.07 0.18 -0.01 0.87 0.00 0.00 0.00 179.25 180.36 3h2l h LYS 74 N 0.80 0.48 -0.64 0.00 1.57 -1.12 -3.04 116.57 114.62 3h2l h LYS 74 Ca 0.24 -0.16 0.13 0.00 -1.87 0.00 0.00 60.65 58.99 3h2l h LYS 74 Cb -0.04 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 3h2l h LYS 74 CO -0.07 0.65 0.43 0.00 -0.57 0.00 0.00 179.45 179.89 3h2l h ALA 75 N 0.81 2.16 0.00 3.86 0.00 -0.40 -2.09 119.26 123.60 3h2l h ALA 75 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3h2l h ALA 75 Cb 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3h2l h ALA 75 CO 0.02 -0.33 0.00 0.66 0.00 0.00 0.00 179.25 179.60 3h2l h SER 76 N 0.32 0.00 0.67 0.00 4.64 -0.98 -1.61 113.55 116.58 3h2l h SER 76 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3h2l h SER 76 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3h2l h SER 76 CO -0.08 0.00 -0.12 0.35 -0.87 0.00 0.00 176.83 176.11 3h2l n THR 77 N -2.87 0.00 -3.06 2.95 -2.24 -0.78 -4.62 114.28 103.66 3h2l n THR 77 Ca -0.01 -0.02 -0.40 0.00 -2.27 0.00 0.00 64.05 61.36 3h2l n THR 77 Cb 0.18 -0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.11 3h2l n THR 77 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3h2l s VAL 78 N -2.79 4.99 -0.23 2.28 1.01 -0.61 -4.97 120.40 120.09 3h2l s VAL 78 Ca 0.20 1.32 -0.06 0.00 0.00 0.00 0.00 61.98 63.44 3h2l s VAL 78 Cb 0.19 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 3h2l s VAL 78 CO 0.54 0.11 0.04 -0.75 0.00 0.00 0.00 175.10 175.04 3h2l s LYS 79 N 1.79 3.65 0.12 2.72 2.20 -1.26 -0.41 119.74 128.55 3h2l s LYS 79 Ca 0.32 -0.49 0.10 0.00 -0.36 0.00 0.00 55.97 55.54 3h2l s LYS 79 Cb -0.16 -3.22 -0.04 0.00 -1.51 0.00 0.00 37.83 32.90 3h2l s LYS 79 CO 0.12 -0.09 -0.25 0.00 -0.36 0.00 0.00 175.35 174.77 3h2l s ALA 80 N 1.31 2.23 0.12 3.13 0.00 -0.62 -4.95 121.76 122.97 3h2l s ALA 80 Ca 0.04 -1.40 0.05 0.00 0.00 0.00 0.00 51.96 50.66 3h2l s ALA 80 Cb -0.15 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 3h2l s ALA 80 CO 0.02 0.49 0.04 -1.59 0.00 0.00 0.00 175.76 174.73 3h2l s LYS 81 N -1.97 2.65 0.08 0.00 -2.85 -1.26 -4.45 119.74 111.94 3h2l s LYS 81 Ca 0.12 -0.87 -0.30 0.00 -1.00 0.00 0.00 55.97 53.92 3h2l s LYS 81 Cb -0.10 -2.56 -0.05 0.00 -2.06 0.00 0.00 37.83 33.06 3h2l s LYS 81 CO 0.05 0.52 1.05 -1.17 0.10 0.00 0.00 175.35 175.90 3h2l s LEU 82 N -2.60 4.43 0.24 2.77 2.96 -1.26 -4.52 118.68 120.70 3h2l s LEU 82 Ca 0.28 1.87 -0.20 0.00 -0.22 0.00 0.00 54.13 55.85 3h2l s LEU 82 Cb -0.11 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 42.91 3h2l s LEU 82 CO 0.20 -0.25 0.75 -0.76 -1.32 0.00 0.00 176.35 174.98 3h2l s LEU 83 N 0.45 4.33 0.67 -0.68 1.02 -0.69 -5.06 118.68 118.72 3h2l s LEU 83 Ca 0.52 1.46 -0.14 0.00 0.02 0.00 0.00 54.13 55.99 3h2l s LEU 83 Cb -0.25 -3.66 0.00 0.00 0.02 0.00 0.00 46.19 42.30 3h2l s LEU 83 CO 0.30 0.01 1.09 -0.94 0.02 0.00 0.00 176.35 176.84 3h2l s SER 84 N -1.67 5.13 0.18 2.29 1.04 -1.26 -4.68 113.70 114.73 3h2l s SER 84 Ca 0.44 1.91 -0.21 0.00 0.48 0.00 0.00 55.95 58.58 3h2l s SER 84 Cb -0.17 -2.54 0.12 0.00 0.10 0.00 0.00 66.02 63.53 3h2l s SER 84 CO 0.21 -1.61 1.59 0.58 0.98 0.00 0.00 173.24 174.99 3h2l h VAL 85 N -0.16 0.20 -0.77 5.02 2.07 -1.97 -0.71 116.25 119.92 3h2l h VAL 85 Ca -0.46 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.10 3h2l h VAL 85 Cb 1.24 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 3h2l h VAL 85 CO 0.54 0.00 0.48 -0.33 0.02 0.00 0.00 177.57 178.28 3h2l h GLU 86 N -0.17 0.88 -0.34 1.57 3.07 -1.98 0.21 114.58 117.81 3h2l h GLU 86 Ca 0.22 -0.05 0.03 0.00 -0.50 0.00 0.00 59.36 59.06 3h2l h GLU 86 Cb 0.54 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.22 3h2l h GLU 86 CO -0.64 0.58 0.16 0.93 -1.40 0.00 0.00 179.01 178.64 3h2l h GLU 87 N 0.90 0.33 -0.49 2.33 5.08 -1.73 -2.11 114.58 118.89 3h2l h GLU 87 Ca 0.32 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.56 3h2l h GLU 87 Cb 0.09 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3h2l h GLU 87 CO -0.14 0.22 -0.10 0.00 -1.00 0.00 0.00 179.01 177.99 3h2l h ALA 88 N 1.19 0.89 -0.96 3.43 0.00 -0.21 -2.90 119.26 120.70 3h2l h ALA 88 Ca 0.15 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.76 3h2l h ALA 88 Cb 0.07 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 3h2l h ALA 88 CO -0.11 0.64 0.63 0.00 0.00 0.00 0.00 179.25 180.41 3h2l n LYS 90 N -4.44 0.18 0.00 0.00 4.76 -0.81 -1.88 118.16 115.96 3h2l n LYS 90 Ca 0.13 0.35 0.14 0.00 -2.87 0.00 0.00 58.31 56.06 3h2l n LYS 90 Cb 0.10 -1.81 0.56 0.00 -1.84 0.00 0.00 35.03 32.04 3h2l n LYS 90 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3h2l n LEU 91 N -2.14 0.94 -4.70 -0.35 4.77 -0.91 -4.87 117.00 109.75 3h2l n LEU 91 Ca 0.03 -0.25 -0.41 0.00 -0.03 0.00 0.00 56.01 55.35 3h2l n LEU 91 Cb 0.26 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.24 3h2l n LEU 91 CO 0.21 0.16 0.61 -0.89 -1.33 0.00 0.00 177.39 176.16 3h2l s THR 92 N -2.25 4.90 0.36 -5.08 2.01 -0.79 -0.24 115.64 114.55 3h2l s THR 92 Ca 0.33 1.79 -0.28 0.00 0.31 0.00 0.00 61.69 63.85 3h2l s THR 92 Cb 0.20 -4.20 -0.12 0.00 0.01 0.00 0.00 72.50 68.40 3h2l s THR 92 CO 0.42 0.12 1.39 -2.65 -0.69 0.00 0.00 174.62 173.22 3h2l n PRO 93 N 4.38 2.41 0.07 4.92 -0.02 -1.26 -4.74 135.00 140.75 3h2l n PRO 93 Ca 0.04 0.84 0.19 0.00 -2.02 0.00 0.00 63.50 62.55 3h2l n PRO 93 Cb 0.50 -2.50 0.72 0.00 -0.02 0.00 0.00 33.50 32.19 3h2l n PRO 93 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3h2l h PRO 94 N 2.77 0.00 -0.02 0.52 0.11 -1.96 -2.53 132.00 130.90 3h2l h PRO 94 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3h2l h PRO 94 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3h2l h PRO 94 CO 0.63 0.00 -0.20 -2.39 -0.21 0.00 0.00 178.00 175.84 3h2l n HIS 95 N -4.22 0.00 -1.56 0.65 1.44 -1.26 -4.34 115.22 105.93 3h2l n HIS 95 Ca 0.07 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.40 3h2l n HIS 95 Cb 0.52 -0.02 0.05 0.00 0.12 0.00 0.00 29.99 30.66 3h2l n HIS 95 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 3h2l n SER 96 N 0.40 0.17 -4.74 4.39 2.88 -0.96 -4.87 113.62 110.89 3h2l n SER 96 Ca 0.13 0.79 -0.42 0.00 -1.33 0.00 0.00 58.87 58.04 3h2l n SER 96 Cb 0.48 -1.31 -0.02 0.00 -0.75 0.00 0.00 64.21 62.60 3h2l n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h2l s ALA 97 N -1.57 3.79 0.81 -1.46 0.00 -1.26 -4.27 121.76 117.79 3h2l s ALA 97 Ca 0.73 1.55 -0.11 0.00 0.00 0.00 0.00 51.96 54.13 3h2l s ALA 97 Cb -0.43 -3.65 0.08 0.00 0.00 0.00 0.00 23.12 19.11 3h2l s ALA 97 CO 0.50 -0.94 1.13 -1.59 0.00 0.00 0.00 175.76 174.85 3h2l s LYS 98 N 0.03 1.85 0.49 0.00 -2.85 -1.26 -4.57 119.74 113.43 3h2l s LYS 98 Ca 0.66 1.40 -0.20 0.00 -1.00 0.00 0.00 55.97 56.83 3h2l s LYS 98 Cb -0.48 -1.83 -0.08 0.00 -2.06 0.00 0.00 37.83 33.38 3h2l s LYS 98 CO 0.43 -1.98 1.07 0.45 0.10 0.00 0.00 175.35 175.42 3h2l s SER 99 N -2.88 6.20 0.10 0.03 0.15 -0.04 -4.65 113.70 112.61 3h2l s SER 99 Ca 0.65 2.02 0.14 0.00 0.70 0.00 0.00 55.95 59.47 3h2l s SER 99 Cb -0.21 -2.57 0.62 0.00 -1.71 0.00 0.00 66.02 62.15 3h2l s SER 99 CO 0.54 -0.88 1.43 0.29 1.20 0.00 0.00 173.24 175.82 3h2l n LYS 100 N -0.96 0.06 -1.15 5.44 5.02 -1.26 -3.86 118.16 121.45 3h2l n LYS 100 Ca 0.09 0.41 -0.14 0.00 -2.02 0.00 0.00 58.31 56.65 3h2l n LYS 100 Cb 0.52 -1.65 0.15 0.00 -0.02 0.00 0.00 35.03 34.03 3h2l n LYS 100 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3h2l n PHE 101 N -1.77 1.85 -0.35 2.13 3.72 -1.26 -4.95 117.46 116.83 3h2l n PHE 101 Ca 0.02 -1.95 0.00 0.00 -0.05 0.00 0.00 57.45 55.47 3h2l n PHE 101 Cb 0.12 -0.64 0.00 0.00 -0.94 0.00 0.00 39.48 38.02 3h2l n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h2l n GLY 102 N -1.03 0.78 3.23 1.37 0.00 -1.25 -5.04 105.19 103.26 3h2l n GLY 102 Ca 0.42 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.32 3h2l n GLY 102 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3h2l s TYR 103 N -2.21 1.03 0.31 1.61 -0.85 -1.26 -5.04 117.35 110.94 3h2l s TYR 103 Ca 0.00 -1.28 0.03 0.00 -0.52 0.00 0.00 57.07 55.30 3h2l s TYR 103 Cb 0.00 -0.47 -0.01 0.00 0.38 0.00 0.00 41.96 41.86 3h2l s TYR 103 CO 0.00 -0.66 0.12 0.41 -1.52 0.00 0.00 175.55 173.90 3h2l n GLY 104 N -0.26 3.41 0.37 5.49 0.00 -1.26 -0.86 105.19 112.07 3h2l n GLY 104 Ca 0.00 -2.05 0.08 0.00 0.00 0.00 0.00 46.02 44.06 3h2l n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2l h ALA 105 N 1.55 1.68 -0.05 4.61 0.00 -1.83 -1.57 119.26 123.64 3h2l h ALA 105 Ca -0.24 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 3h2l h ALA 105 Cb 0.94 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3h2l h ALA 105 CO 0.38 0.12 -0.62 0.87 0.00 0.00 0.00 179.25 180.00 3h2l h LYS 106 N 0.84 0.19 -0.53 0.00 1.57 -1.87 0.16 116.57 116.93 3h2l h LYS 106 Ca 0.43 -0.14 -0.09 0.00 -1.87 0.00 0.00 60.65 58.99 3h2l h LYS 106 Cb 0.50 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 3h2l h LYS 106 CO -0.20 0.75 -0.02 -0.44 -0.57 0.00 0.00 179.45 178.98 3h2l h ASP 107 N 0.14 0.89 0.07 0.86 3.32 -1.77 -1.23 116.42 118.71 3h2l h ASP 107 Ca -0.01 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.79 3h2l h ASP 107 Cb 1.13 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.44 3h2l h ASP 107 CO 0.09 0.97 -0.03 0.58 -1.72 0.00 0.00 179.24 179.13 3h2l h VAL 108 N 0.84 1.10 -0.47 -1.35 2.07 -1.03 0.24 116.25 117.65 3h2l h VAL 108 Ca 0.15 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 67.09 3h2l h VAL 108 Cb 0.53 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 3h2l h VAL 108 CO 0.03 0.15 0.31 0.03 0.02 0.00 0.00 177.57 178.10 3h2l h ARG 109 N -0.36 0.61 -0.75 1.57 3.08 -0.57 -1.17 114.38 116.79 3h2l h ARG 109 Ca -0.01 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 3h2l h ARG 109 Cb 0.31 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 3h2l h ARG 109 CO 0.02 0.40 0.04 0.27 -1.07 0.00 0.00 179.97 179.62 3h2l n ASN 110 N -4.77 4.10 -3.51 7.04 2.04 -0.47 -4.76 115.26 114.93 3h2l n ASN 110 Ca 0.02 -2.66 -0.22 0.00 -0.44 0.00 0.00 54.58 51.29 3h2l n ASN 110 Cb 0.03 -0.63 0.08 0.00 -2.53 0.00 0.00 39.78 36.72 3h2l n ASN 110 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 3h2l n LEU 111 N 0.33 -3.58 -4.75 -4.53 4.77 -0.44 -4.94 117.00 103.85 3h2l n LEU 111 Ca 0.20 -0.56 -0.39 0.00 -0.03 0.00 0.00 56.01 55.24 3h2l n LEU 111 Cb 0.91 -3.03 0.04 0.00 -2.33 0.00 0.00 43.42 39.01 3h2l n LEU 111 CO 0.23 0.57 1.00 -0.94 -1.33 0.00 0.00 177.39 176.92 3h2l s SER 112 N -3.63 5.32 0.29 -1.43 1.04 0.75 -4.82 113.70 111.23 3h2l s SER 112 Ca 0.41 2.79 -0.01 0.00 0.48 0.00 0.00 55.95 59.62 3h2l s SER 112 Cb -0.18 -2.64 0.43 0.00 0.10 0.00 0.00 66.02 63.74 3h2l s SER 112 CO 0.72 -1.54 1.86 0.77 0.98 0.00 0.00 173.24 176.04 3h2l h SER 113 N 1.55 0.78 -0.63 7.02 4.64 -1.92 -1.65 113.55 123.35 3h2l h SER 113 Ca -0.51 -0.11 0.06 0.00 -0.47 0.00 0.00 61.79 60.76 3h2l h SER 113 Cb 1.30 -0.20 -0.06 0.00 -0.31 0.00 0.00 62.40 63.13 3h2l h SER 113 CO 0.58 0.72 0.33 0.50 -0.87 0.00 0.00 176.83 178.09 3h2l h LYS 114 N 0.84 0.60 0.14 4.77 3.64 -1.96 0.29 116.57 124.88 3h2l h LYS 114 Ca 0.20 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 3h2l h LYS 114 Cb 0.20 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3h2l h LYS 114 CO -0.01 0.39 -0.07 0.00 -2.27 0.00 0.00 179.45 177.49 3h2l h ALA 115 N 1.35 -0.18 -0.54 5.00 0.00 -1.75 -2.54 119.26 120.60 3h2l h ALA 115 Ca 0.29 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3h2l h ALA 115 Cb 0.21 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3h2l h ALA 115 CO -0.20 -0.44 0.34 0.28 0.00 0.00 0.00 179.25 179.24 3h2l h VAL 116 N -0.51 1.15 -0.18 0.00 2.07 -1.15 -0.77 116.25 116.86 3h2l h VAL 116 Ca -0.02 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.24 3h2l h VAL 116 Cb 0.40 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 3h2l h VAL 116 CO 0.03 0.15 -0.14 0.78 0.02 0.00 0.00 177.57 178.41 3h2l h ASN 117 N 0.73 -0.45 -0.48 0.57 -0.26 -0.46 -1.31 115.58 113.91 3h2l h ASN 117 Ca 0.20 0.09 -0.02 0.00 -0.56 0.00 0.00 56.30 56.01 3h2l h ASN 117 Cb -0.05 0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.41 3h2l h ASN 117 CO -0.04 -0.18 0.23 -0.74 -1.06 0.00 0.00 177.43 175.64 3h2l h HIS 118 N -0.15 0.70 -0.53 1.19 2.76 -1.02 -2.05 115.15 116.04 3h2l h HIS 118 Ca 0.11 -0.03 0.07 0.00 -2.20 0.00 0.00 60.37 58.31 3h2l h HIS 118 Cb 0.31 -0.22 -0.06 0.00 1.55 0.00 0.00 27.41 29.00 3h2l h HIS 118 CO -0.28 0.55 0.22 0.82 -1.30 0.00 0.00 177.93 177.94 3h2l h ILE 119 N 0.64 0.86 -0.88 6.26 2.04 -0.96 0.12 117.51 125.58 3h2l h ILE 119 Ca 0.17 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 65.91 3h2l h ILE 119 Cb 0.12 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 36.55 3h2l h ILE 119 CO -0.02 0.08 0.58 0.45 0.00 0.00 0.00 178.15 179.24 3h2l h HIS 120 N 0.42 1.07 -0.22 1.37 3.86 -1.03 -0.08 115.15 120.55 3h2l h HIS 120 Ca 0.25 0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.35 3h2l h HIS 120 Cb 0.24 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 3h2l h HIS 120 CO -0.14 0.63 -0.45 0.66 0.86 0.00 0.00 177.93 179.49 3h2l h SER 121 N 1.12 0.59 0.10 2.45 4.64 -0.53 -0.44 113.55 121.47 3h2l h SER 121 Ca 0.35 -0.28 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3h2l h SER 121 Cb 0.00 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.93 3h2l h SER 121 CO -0.10 0.96 -0.05 0.58 -0.87 0.00 0.00 176.83 177.35 3h2l h VAL 122 N 0.44 1.05 -0.52 0.95 2.07 -0.31 -1.70 116.25 118.23 3h2l h VAL 122 Ca 0.03 -0.53 0.08 0.00 0.82 0.00 0.00 66.70 67.10 3h2l h VAL 122 Cb 0.97 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 32.06 3h2l h VAL 122 CO 0.09 0.13 0.18 -0.25 0.02 0.00 0.00 177.57 177.73 3h2l h TRP 123 N -0.37 0.31 -0.44 1.57 2.91 -0.93 -0.81 115.95 118.19 3h2l h TRP 123 Ca -0.01 0.03 0.04 0.00 1.13 0.00 0.00 58.89 60.08 3h2l h TRP 123 Cb 0.31 -0.06 -0.04 0.00 -0.51 0.00 0.00 29.16 28.86 3h2l h TRP 123 CO 0.01 0.08 0.19 -0.22 -1.03 0.00 0.00 178.44 177.47 3h2l h LYS 124 N 0.35 0.37 -0.21 2.65 3.64 -1.02 -1.55 116.57 120.81 3h2l h LYS 124 Ca 0.26 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.58 3h2l h LYS 124 Cb 0.29 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3h2l h LYS 124 CO -0.27 0.25 -0.04 0.22 -2.27 0.00 0.00 179.45 177.34 3h2l h ASP 125 N 0.38 0.28 -0.38 4.20 3.58 -0.66 -1.79 116.42 122.04 3h2l h ASP 125 Ca 0.20 -0.04 -0.09 0.00 0.42 0.00 0.00 57.03 57.51 3h2l h ASP 125 Cb 0.14 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 3h2l h ASP 125 CO -0.17 0.37 -0.09 -0.07 -2.88 0.00 0.00 179.24 176.41 3h2l h LEU 126 N 0.30 0.80 -0.77 2.28 3.38 -0.23 -0.86 115.31 120.20 3h2l h LEU 126 Ca 0.07 -0.23 -0.13 0.00 0.09 0.00 0.00 57.88 57.68 3h2l h LEU 126 Cb 0.27 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3h2l h LEU 126 CO 0.01 0.91 -0.60 -0.07 0.09 0.00 0.00 178.44 178.79 3h2l h LEU 127 N 0.74 0.07 0.00 1.67 3.38 -0.51 -3.32 115.31 117.33 3h2l h LEU 127 Ca 0.13 -0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.85 3h2l h LEU 127 Cb 0.57 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 3h2l h LEU 127 CO 0.04 0.65 -1.64 -0.62 0.09 0.00 0.00 178.44 176.95 3h2l n GLU 128 N -3.84 0.63 -3.93 1.13 1.02 -0.85 -4.83 120.64 109.96 3h2l n GLU 128 Ca -0.01 0.19 -0.28 0.00 -0.02 0.00 0.00 57.16 57.03 3h2l n GLU 128 Cb 0.60 -1.75 -0.17 0.00 -0.02 0.00 0.00 31.44 30.10 3h2l n GLU 128 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3h2l s ASP 129 N -5.76 2.66 -0.20 1.62 -1.08 -0.34 -5.00 116.67 108.57 3h2l s ASP 129 Ca -0.04 -0.54 0.14 0.00 -0.52 0.00 0.00 52.55 51.59 3h2l s ASP 129 Cb 0.08 -0.98 0.45 0.00 -1.46 0.00 0.00 42.92 41.01 3h2l s ASP 129 CO 0.82 -0.13 1.34 0.35 0.52 0.00 0.00 175.17 178.07 3h2l n THR 130 N 4.85 2.25 0.00 1.71 -2.24 -1.26 -4.53 114.28 115.06 3h2l n THR 130 Ca -0.13 -2.41 0.00 0.00 -2.27 0.00 0.00 64.05 59.24 3h2l n THR 130 Cb 0.49 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 3h2l n THR 130 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 3h2l n VAL 131 N -1.01 0.00 -2.31 2.28 3.14 -1.26 -4.58 118.33 114.59 3h2l n VAL 131 Ca 0.23 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 61.18 3h2l n VAL 131 Cb 0.84 -0.15 -0.02 0.00 -1.06 0.00 0.00 33.84 33.45 3h2l n VAL 131 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 3h2l s THR 132 N -1.19 4.01 0.25 1.55 2.01 -1.26 -4.74 115.64 116.26 3h2l s THR 132 Ca 0.00 1.16 -0.30 0.00 0.31 0.00 0.00 61.69 62.85 3h2l s THR 132 Cb 0.00 -3.97 -0.14 0.00 0.01 0.00 0.00 72.50 68.41 3h2l s THR 132 CO 0.00 -0.35 1.23 -2.65 -0.69 0.00 0.00 174.62 172.17 3h2l n PRO 133 N 7.29 1.67 -3.50 4.92 -0.02 -1.26 -4.74 135.00 139.35 3h2l n PRO 133 Ca 0.16 0.59 -0.37 0.00 -2.02 0.00 0.00 63.50 61.86 3h2l n PRO 133 Cb 0.46 -2.13 -0.06 0.00 -0.02 0.00 0.00 33.50 31.75 3h2l n PRO 133 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h2l s ILE 134 N -0.49 5.19 0.41 4.25 1.01 0.25 -4.97 121.20 126.84 3h2l s ILE 134 Ca 0.65 0.73 -0.26 0.00 0.00 0.00 0.00 60.65 61.76 3h2l s ILE 134 Cb -0.70 -3.69 -0.09 0.00 0.01 0.00 0.00 42.46 38.00 3h2l s ILE 134 CO 0.55 0.47 1.37 -0.62 0.00 0.00 0.00 174.94 176.70 3h2l s ASP 135 N -0.24 6.23 0.20 3.58 2.15 -1.26 -4.42 116.67 122.91 3h2l s ASP 135 Ca 0.21 2.79 0.08 0.00 0.43 0.00 0.00 52.55 56.06 3h2l s ASP 135 Cb -0.15 -2.65 -0.05 0.00 -0.30 0.00 0.00 42.92 39.78 3h2l s ASP 135 CO 0.09 -0.92 -0.14 0.42 -0.17 0.00 0.00 175.17 174.45 3h2l s THR 136 N -1.21 1.71 -0.12 1.71 -4.23 -1.12 -4.27 115.64 108.12 3h2l s THR 136 Ca 0.57 -2.20 -0.04 0.00 -1.18 0.00 0.00 61.69 58.84 3h2l s THR 136 Cb -0.41 -2.03 -0.04 0.00 1.34 0.00 0.00 72.50 71.37 3h2l s THR 136 CO 0.54 -0.59 0.05 -0.89 -0.54 0.00 0.00 174.62 173.18 3h2l s THR 137 N -2.96 4.70 -0.20 3.99 2.01 0.07 -1.40 115.64 121.86 3h2l s THR 137 Ca 0.22 -0.09 -0.05 0.00 0.31 0.00 0.00 61.69 62.08 3h2l s THR 137 Cb -0.01 -3.03 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 3h2l s THR 137 CO 0.07 0.57 0.00 -0.51 -0.69 0.00 0.00 174.62 174.06 3h2l s ILE 138 N -0.59 4.02 0.23 1.82 2.07 -0.51 -1.44 121.20 126.79 3h2l s ILE 138 Ca 0.11 -0.29 0.08 0.00 -1.41 0.00 0.00 60.65 59.13 3h2l s ILE 138 Cb -0.12 -2.81 -0.05 0.00 0.13 0.00 0.00 42.46 39.61 3h2l s ILE 138 CO 0.02 0.43 -0.13 -0.04 -1.91 0.00 0.00 174.94 173.32 3h2l s MET 139 N 0.90 1.41 -0.14 3.50 -1.94 0.14 -4.48 119.30 118.69 3h2l s MET 139 Ca 0.01 -1.65 -0.12 0.00 -1.71 0.00 0.00 55.69 52.22 3h2l s MET 139 Cb -0.14 -1.17 -0.05 0.00 2.01 0.00 0.00 34.83 35.48 3h2l s MET 139 CO 0.02 0.16 0.26 0.00 -0.01 0.00 0.00 175.02 175.45 3h2l s ALA 140 N -2.95 3.67 0.22 3.03 0.00 -1.26 -0.95 121.76 123.52 3h2l s ALA 140 Ca 0.25 -0.49 -0.30 0.00 0.00 0.00 0.00 51.96 51.42 3h2l s ALA 140 Cb 0.00 -2.28 -0.08 0.00 0.00 0.00 0.00 23.12 20.75 3h2l s ALA 140 CO 0.09 0.25 1.13 0.15 0.00 0.00 0.00 175.76 177.38 3h2l s LYS 141 N -0.04 4.58 -0.47 0.00 1.02 0.43 -4.74 119.74 120.52 3h2l s LYS 141 Ca 0.16 1.80 -0.16 0.00 0.02 0.00 0.00 55.97 57.79 3h2l s LYS 141 Cb -0.13 -3.24 0.07 0.00 -0.52 0.00 0.00 37.83 34.01 3h2l s LYS 141 CO 0.04 0.07 0.40 -0.80 -0.92 0.00 0.00 175.35 174.14 3h2l s ASN 142 N -0.30 6.15 0.10 2.83 0.02 -1.26 -4.40 114.94 118.07 3h2l s ASN 142 Ca 0.49 -1.30 0.04 0.00 -1.02 0.00 0.00 52.86 51.07 3h2l s ASN 142 Cb -0.31 -2.19 -0.03 0.00 0.02 0.00 0.00 41.25 38.74 3h2l s ASN 142 CO 0.38 -0.64 -0.11 -1.61 0.02 0.00 0.00 177.10 175.13 3h2l s GLU 143 N 1.67 0.87 -0.13 -0.60 2.02 -1.26 -4.91 118.70 116.36 3h2l s GLU 143 Ca 0.04 -1.12 -0.03 0.00 0.02 0.00 0.00 54.97 53.88 3h2l s GLU 143 Cb -0.24 -0.65 -0.03 0.00 0.10 0.00 0.00 34.13 33.31 3h2l s GLU 143 CO 0.07 0.12 -0.03 0.08 0.02 0.00 0.00 175.26 175.52 3h2l s VAL 144 N -2.13 4.03 0.16 2.63 1.01 -1.26 -1.03 120.40 123.80 3h2l s VAL 144 Ca 0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 3h2l s VAL 144 Cb -0.05 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 3h2l s VAL 144 CO 0.01 0.53 0.08 -0.36 0.00 0.00 0.00 175.10 175.36 3h2l s PHE 145 N -0.09 0.99 0.09 5.22 0.08 -0.03 -4.72 117.98 119.53 3h2l s PHE 145 Ca 0.03 -1.28 -0.11 0.00 0.12 0.00 0.00 56.93 55.69 3h2l s PHE 145 Cb -0.13 -0.53 -0.06 0.00 -0.57 0.00 0.00 43.02 41.73 3h2l s PHE 145 CO 0.02 -0.55 0.44 0.00 -0.10 0.00 0.00 175.22 175.03 3h2l s VAL 147 N -1.41 2.87 -0.16 0.00 -7.23 0.98 -4.97 120.40 110.48 3h2l s VAL 147 Ca 0.34 0.55 -0.15 0.00 -1.81 0.00 0.00 61.98 60.91 3h2l s VAL 147 Cb -0.14 -3.23 -0.11 0.00 0.56 0.00 0.00 36.38 33.46 3h2l s VAL 147 CO 0.18 -0.11 0.10 1.56 -0.31 0.00 0.00 175.10 176.52 3h2l h GLN 148 N 1.09 0.00 -6.53 4.82 1.08 -1.98 -3.50 115.11 110.09 3h2l h GLN 148 Ca -0.50 0.00 -0.66 0.00 -1.45 0.00 0.00 58.65 56.04 3h2l h GLN 148 Cb 1.28 0.00 -0.26 0.00 -0.05 0.00 0.00 27.48 28.45 3h2l h GLN 148 CO 0.56 0.48 -0.87 1.03 -0.95 0.00 0.00 178.83 179.08 3h2l s ARG 154 N -2.19 1.67 0.14 1.46 0.52 -1.26 -5.21 118.95 114.09 3h2l s ARG 154 Ca -0.18 -1.05 -0.30 0.00 -0.52 0.00 0.00 55.73 53.68 3h2l s ARG 154 Cb 0.03 -1.83 -0.07 0.00 0.52 0.00 0.00 34.95 33.60 3h2l s ARG 154 CO 0.38 0.47 1.00 0.15 0.02 0.00 0.00 175.30 177.32 3h2l s LYS 155 N -1.20 4.69 0.73 3.54 1.02 -1.26 -5.05 119.74 122.20 3h2l s LYS 155 Ca 0.10 1.52 -0.11 0.00 0.02 0.00 0.00 55.97 57.51 3h2l s LYS 155 Cb -0.10 -3.34 0.03 0.00 -0.52 0.00 0.00 37.83 33.90 3h2l s LYS 155 CO 0.02 0.20 1.08 -1.25 -0.92 0.00 0.00 175.35 174.48 3h2l s PRO 156 N -0.19 2.61 0.34 -1.68 0.04 -1.26 -4.84 135.00 130.01 3h2l s PRO 156 Ca 0.47 1.07 -0.29 0.00 0.04 0.00 0.00 61.00 62.29 3h2l s PRO 156 Cb -0.25 -1.94 -0.11 0.00 0.04 0.00 0.00 34.50 32.23 3h2l s PRO 156 CO 0.31 -1.37 1.53 0.00 0.04 0.00 0.00 177.00 177.52 3h2l n ALA 157 N -3.30 2.43 -1.70 8.56 0.00 -1.26 -4.95 120.51 120.29 3h2l n ALA 157 Ca 0.08 0.35 -0.32 0.00 0.00 0.00 0.00 53.44 53.56 3h2l n ALA 157 Cb 0.53 -2.43 0.01 0.00 0.00 0.00 0.00 19.45 17.56 3h2l n ALA 157 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h2l s ARG 158 N -1.44 3.38 0.17 0.00 0.52 -1.26 -4.65 118.95 115.67 3h2l s ARG 158 Ca 0.58 1.03 0.05 0.00 -0.52 0.00 0.00 55.73 56.86 3h2l s ARG 158 Cb -0.49 -2.05 -0.04 0.00 0.52 0.00 0.00 34.95 32.90 3h2l s ARG 158 CO 0.58 -0.75 0.15 -0.51 0.02 0.00 0.00 175.30 174.78 3h2l s LEU 159 N -4.79 3.83 -0.04 2.53 1.43 -1.26 -0.42 118.68 119.96 3h2l s LEU 159 Ca 0.60 -0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.60 3h2l s LEU 159 Cb -0.14 -2.44 0.01 0.00 0.03 0.00 0.00 46.19 43.66 3h2l s LEU 159 CO 0.43 0.06 -0.09 -0.51 0.23 0.00 0.00 176.35 176.48 3h2l s ILE 160 N -1.76 0.81 -0.12 -0.59 1.10 -0.12 -4.87 121.20 115.65 3h2l s ILE 160 Ca 0.31 -0.32 0.02 0.00 -0.51 0.00 0.00 60.65 60.15 3h2l s ILE 160 Cb -0.10 -0.76 0.01 0.00 0.15 0.00 0.00 42.46 41.76 3h2l s ILE 160 CO 0.24 0.27 -0.17 -0.69 -2.11 0.00 0.00 174.94 172.48 3h2l s VAL 161 N 0.56 1.66 -0.07 4.00 1.01 -1.26 -0.69 120.40 125.63 3h2l s VAL 161 Ca -0.10 -0.73 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 3h2l s VAL 161 Cb -0.13 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.77 3h2l s VAL 161 CO 0.01 0.47 0.27 0.72 0.00 0.00 0.00 175.10 176.58 3h2l s PHE 162 N 0.99 -0.23 0.80 5.22 -0.71 -0.52 -0.47 117.98 123.05 3h2l s PHE 162 Ca -0.06 0.50 -0.09 0.00 -1.04 0.00 0.00 56.93 56.24 3h2l s PHE 162 Cb -0.15 0.08 0.11 0.00 -1.21 0.00 0.00 43.02 41.85 3h2l s PHE 162 CO -0.03 -0.24 1.13 -1.25 -1.34 0.00 0.00 175.22 173.49 3h2l s PRO 163 N -0.49 1.68 0.70 1.99 0.04 -1.26 -0.75 135.00 136.91 3h2l s PRO 163 Ca -0.06 -0.32 -0.16 0.00 0.04 0.00 0.00 61.00 60.50 3h2l s PRO 163 Cb -0.04 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.46 3h2l s PRO 163 CO 0.02 -1.65 1.17 -3.47 0.04 0.00 0.00 177.00 173.11 3h2l n ASP 164 N -3.21 1.37 -0.31 6.66 2.03 -1.26 -4.70 116.55 117.12 3h2l n ASP 164 Ca 0.11 0.73 0.17 0.00 0.52 0.00 0.00 54.79 56.32 3h2l n ASP 164 Cb 0.60 -1.50 0.35 0.00 -0.72 0.00 0.00 41.12 39.86 3h2l n ASP 164 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3h2l h LEU 165 N 0.01 0.13 -0.46 -2.67 5.85 -1.82 -1.39 115.31 114.96 3h2l h LEU 165 Ca -0.49 0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.43 3h2l h LEU 165 Cb 1.33 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.58 3h2l h LEU 165 CO 0.50 -0.17 0.27 1.23 -0.34 0.00 0.00 178.44 179.93 3h2l h GLY 166 N 0.22 0.67 0.74 3.75 0.00 -1.95 -1.22 103.07 105.28 3h2l h GLY 166 Ca 0.62 -0.29 0.05 0.00 0.00 0.00 0.00 47.33 47.72 3h2l h GLY 166 CO -0.66 0.28 0.45 -2.08 0.00 0.00 0.00 176.54 174.53 3h2l h VAL 167 N 0.61 1.03 -0.80 4.60 2.07 -1.68 -2.65 116.25 119.44 3h2l h VAL 167 Ca 0.16 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 3h2l h VAL 167 Cb 0.01 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 29.85 3h2l h VAL 167 CO -0.03 0.15 0.32 0.03 0.02 0.00 0.00 177.57 178.07 3h2l h ARG 168 N 0.84 1.19 -0.70 1.57 3.08 -0.22 -0.17 114.38 119.97 3h2l h ARG 168 Ca 0.33 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 3h2l h ARG 168 Cb 0.14 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 3h2l h ARG 168 CO -0.16 0.96 0.23 0.28 -1.07 0.00 0.00 179.97 180.21 3h2l h VAL 169 N 1.16 1.25 -0.74 2.04 2.07 -1.26 -2.66 116.25 118.11 3h2l h VAL 169 Ca 0.27 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 3h2l h VAL 169 Cb 0.21 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 3h2l h VAL 169 CO -0.02 0.34 0.43 0.00 0.02 0.00 0.00 177.57 178.34 3h2l h GLU 171 N 1.01 -0.20 -0.65 0.00 5.08 -0.91 -1.30 114.58 117.60 3h2l h GLU 171 Ca 0.26 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.78 3h2l h GLU 171 Cb -0.01 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.17 3h2l h GLU 171 CO -0.05 -0.14 0.00 0.87 -1.00 0.00 0.00 179.01 178.70 3h2l h LYS 172 N -0.21 0.11 -0.12 2.33 1.57 -1.12 0.42 116.57 119.56 3h2l h LYS 172 Ca 0.11 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 3h2l h LYS 172 Cb 0.37 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 3h2l h LYS 172 CO -0.28 0.07 -0.10 0.52 -0.57 0.00 0.00 179.45 179.10 3h2l h MET 173 N 0.12 -0.11 -0.07 3.15 2.86 -0.22 -1.03 114.93 119.62 3h2l h MET 173 Ca 0.34 0.01 -0.20 0.00 -2.06 0.00 0.00 59.70 57.79 3h2l h MET 173 Cb 0.57 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.25 3h2l h MET 173 CO -0.56 -0.07 -0.80 0.00 1.06 0.00 0.00 176.91 176.54 3h2l h ALA 174 N 0.98 0.47 0.00 6.32 0.00 -0.71 -1.83 119.26 124.49 3h2l h ALA 174 Ca 0.08 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3h2l h ALA 174 Cb 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3h2l h ALA 174 CO -0.19 0.76 0.00 1.28 0.00 0.00 0.00 179.25 181.10 3h2l n LEU 175 N -3.84 0.30 -0.20 0.00 4.77 0.14 -4.73 117.00 113.44 3h2l n LEU 175 Ca -0.06 -0.40 -0.05 0.00 -0.03 0.00 0.00 56.01 55.48 3h2l n LEU 175 Cb 0.75 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.90 3h2l n LEU 175 CO 0.50 0.07 1.09 0.22 -1.33 0.00 0.00 177.39 177.94 3h2l h TYR 176 N 0.00 0.65 -0.36 -1.77 3.20 -1.26 -0.58 116.97 116.86 3h2l h TYR 176 Ca 0.00 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.81 3h2l h TYR 176 Cb 0.14 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 3h2l h TYR 176 CO 0.00 0.36 -0.10 0.22 -1.64 0.00 0.00 178.16 177.01 3h2l h ASP 177 N 0.68 0.70 0.36 -2.11 3.58 -1.79 -2.39 116.42 115.45 3h2l h ASP 177 Ca 0.24 -0.37 -0.00 0.00 0.42 0.00 0.00 57.03 57.31 3h2l h ASP 177 Cb 0.04 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 40.87 3h2l h ASP 177 CO -0.11 0.91 -0.41 0.58 -2.88 0.00 0.00 179.24 177.33 3h2l h VAL 178 N 0.49 0.18 0.00 2.25 2.07 -1.77 -2.12 116.25 117.34 3h2l h VAL 178 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 3h2l h VAL 178 Cb 0.61 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3h2l h VAL 178 CO 0.04 0.00 0.00 -0.37 0.02 0.00 0.00 177.57 177.26 3h2l h VAL 179 N -0.80 0.00 0.00 2.57 -1.51 -1.12 0.52 116.25 115.90 3h2l h VAL 179 Ca -0.03 -0.30 -0.22 0.00 -1.23 0.00 0.00 66.70 64.93 3h2l h VAL 179 Cb 0.73 1.13 -0.04 0.00 -2.13 0.00 0.00 31.29 30.99 3h2l h VAL 179 CO -0.09 0.00 -1.27 0.28 -1.23 0.00 0.00 177.57 175.25 3h2l h SER 180 N 0.00 0.00 0.00 4.19 0.02 -1.14 -3.42 113.55 113.20 3h2l h SER 180 Ca 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 3h2l h SER 180 Cb 0.36 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 3h2l h SER 180 CO 0.00 0.86 -1.27 0.35 -1.14 0.00 0.00 176.83 175.63 3h2l n THR 181 N -3.14 0.27 -0.17 -2.27 -2.24 -0.82 -4.59 114.28 101.32 3h2l n THR 181 Ca -0.08 -0.13 -0.07 0.00 -2.27 0.00 0.00 64.05 61.50 3h2l n THR 181 Cb 0.94 -0.75 0.02 0.00 -2.10 0.00 0.00 70.33 68.43 3h2l n THR 181 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3h2l h LEU 182 N 0.00 0.62 -0.53 3.22 6.46 -1.11 -3.26 115.31 120.71 3h2l h LEU 182 Ca -0.11 -0.08 0.06 0.00 -0.12 0.00 0.00 57.88 57.63 3h2l h LEU 182 Cb 1.19 -0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 40.91 3h2l h LEU 182 CO -0.01 0.52 0.23 -0.65 -0.62 0.00 0.00 178.44 177.92 3h2l h PRO 183 N 0.67 0.43 -0.29 5.25 0.11 -1.81 -1.00 132.00 135.36 3h2l h PRO 183 Ca 0.18 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.18 3h2l h PRO 183 Cb 0.03 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.03 3h2l h PRO 183 CO -0.03 0.29 -0.18 0.37 -0.21 0.00 0.00 178.00 178.24 3h2l h GLN 184 N 0.45 0.51 -0.33 1.05 -0.00 -1.88 0.10 115.11 115.01 3h2l h GLN 184 Ca 0.25 -0.17 -0.08 0.00 -0.00 0.00 0.00 58.65 58.65 3h2l h GLN 184 Cb 0.22 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.64 3h2l h GLN 184 CO -0.21 0.67 -0.11 0.28 0.00 0.00 0.00 178.83 179.46 3h2l h VAL 185 N 0.47 1.28 -0.14 2.39 2.07 -1.45 0.38 116.25 121.24 3h2l h VAL 185 Ca 0.08 -1.18 -0.21 0.00 0.82 0.00 0.00 66.70 66.20 3h2l h VAL 185 Cb 0.57 1.36 0.01 0.00 -1.52 0.00 0.00 31.29 31.71 3h2l h VAL 185 CO 0.04 0.38 -0.75 0.58 0.02 0.00 0.00 177.57 177.84 3h2l h VAL 186 N 0.43 1.29 -0.00 2.57 2.07 -1.04 -3.37 116.25 118.20 3h2l h VAL 186 Ca 0.08 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 65.64 3h2l h VAL 186 Cb 0.62 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 3h2l h VAL 186 CO 0.04 0.62 -0.61 0.23 0.02 0.00 0.00 177.57 177.87 3h2l n MET 187 N -3.98 2.57 0.00 1.57 2.81 0.34 -4.89 117.12 115.54 3h2l n MET 187 Ca -0.08 -0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 3h2l n MET 187 Cb 0.73 -1.13 0.00 0.00 -0.71 0.00 0.00 33.22 32.11 3h2l n MET 187 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3h2l n GLY 188 N 1.30 2.46 0.34 3.03 0.00 0.13 -1.99 105.19 110.46 3h2l n GLY 188 Ca 0.03 -0.37 0.17 0.00 0.00 0.00 0.00 46.02 45.85 3h2l n GLY 188 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3h2l h SER 189 N 7.70 0.00 0.81 1.61 4.64 -1.96 -1.12 113.55 125.23 3h2l h SER 189 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h2l h SER 189 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3h2l h SER 189 CO 0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 3h2l n SER 190 N -2.97 0.70 -4.60 4.97 7.64 -0.84 -4.66 113.62 113.86 3h2l n SER 190 Ca -0.02 0.66 -0.43 0.00 1.01 0.00 0.00 58.87 60.09 3h2l n SER 190 Cb 0.33 -0.81 -0.02 0.00 -1.01 0.00 0.00 64.21 62.69 3h2l n SER 190 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3h2l s TYR 191 N -3.31 2.78 0.28 1.43 5.04 -0.43 -0.78 117.35 122.37 3h2l s TYR 191 Ca 0.05 0.69 0.09 0.00 -2.44 0.00 0.00 57.07 55.46 3h2l s TYR 191 Cb 0.10 -4.45 0.41 0.00 0.35 0.00 0.00 41.96 38.37 3h2l s TYR 191 CO 0.42 -1.32 1.65 0.78 -1.34 0.00 0.00 175.55 175.73 3h2l h GLY 192 N 11.31 0.11 1.13 8.97 0.00 -1.51 -3.23 103.07 119.85 3h2l h GLY 192 Ca -0.23 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3h2l h GLY 192 CO 1.13 0.11 0.00 0.69 0.00 0.00 0.00 176.54 178.47 3h2l n PHE 193 N -3.91 0.00 0.87 5.60 3.72 -1.26 -2.21 117.46 120.26 3h2l n PHE 193 Ca -0.02 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.51 3h2l n PHE 193 Cb 0.55 -0.06 0.41 0.00 -0.94 0.00 0.00 39.48 39.44 3h2l n PHE 193 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3h2l n GLN 194 N -1.06 0.09 -3.90 -1.08 10.64 -1.22 -3.25 117.38 117.60 3h2l n GLN 194 Ca 0.16 0.05 -0.36 0.00 -1.83 0.00 0.00 57.00 55.01 3h2l n GLN 194 Cb 0.10 -1.58 -0.07 0.00 -0.86 0.00 0.00 30.24 27.83 3h2l n GLN 194 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3h2l s TYR 195 N -3.04 3.50 0.96 2.61 2.02 -0.94 -4.67 117.35 117.80 3h2l s TYR 195 Ca 0.11 0.43 -0.12 0.00 -0.37 0.00 0.00 57.07 57.12 3h2l s TYR 195 Cb 0.17 -1.98 0.17 0.00 -0.40 0.00 0.00 41.96 39.91 3h2l s TYR 195 CO 0.62 0.59 1.12 -1.54 -1.57 0.00 0.00 175.55 174.76 3h2l s SER 196 N -0.64 2.98 0.22 2.29 1.04 -1.26 -4.74 113.70 113.58 3h2l s SER 196 Ca 0.13 1.05 -0.08 0.00 0.48 0.00 0.00 55.95 57.53 3h2l s SER 196 Cb -0.12 -1.66 0.30 0.00 0.10 0.00 0.00 66.02 64.64 3h2l s SER 196 CO 0.02 -2.89 1.77 -0.65 0.98 0.00 0.00 173.24 172.47 3h2l h PRO 197 N -1.73 0.51 -0.68 4.02 0.11 -1.92 0.29 132.00 132.61 3h2l h PRO 197 Ca -0.53 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.57 3h2l h PRO 197 Cb 1.33 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 3h2l h PRO 197 CO 0.60 0.34 0.44 0.78 -0.21 0.00 0.00 178.00 179.95 3h2l h GLY 198 N 0.53 0.96 1.18 -0.55 0.00 -1.67 -1.33 103.07 102.19 3h2l h GLY 198 Ca 0.33 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 47.17 3h2l h GLY 198 CO -0.27 0.32 -0.29 1.46 0.00 0.00 0.00 176.54 177.76 3h2l h GLN 199 N 0.89 0.92 -0.31 4.80 4.20 -1.71 -2.08 115.11 121.81 3h2l h GLN 199 Ca 0.26 -0.42 -0.04 0.00 0.06 0.00 0.00 58.65 58.50 3h2l h GLN 199 Cb -0.07 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3h2l h GLN 199 CO -0.07 1.08 0.05 -0.09 -0.67 0.00 0.00 178.83 179.13 3h2l h ARG 200 N 0.77 0.52 -0.26 1.46 2.43 -0.71 0.25 114.38 118.85 3h2l h ARG 200 Ca 0.09 -0.14 -0.10 0.00 -0.81 0.00 0.00 59.98 59.02 3h2l h ARG 200 Cb 0.86 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 3h2l h ARG 200 CO 0.08 0.62 -0.25 -0.24 -1.51 0.00 0.00 179.97 178.66 3h2l h VAL 201 N 0.34 1.27 -0.21 0.20 3.04 -1.24 0.28 116.25 119.92 3h2l h VAL 201 Ca 0.09 -1.28 -0.01 0.00 -1.01 0.00 0.00 66.70 64.50 3h2l h VAL 201 Cb 0.35 1.35 -0.01 0.00 -2.01 0.00 0.00 31.29 30.97 3h2l h VAL 201 CO 0.01 0.41 0.08 -0.08 -1.01 0.00 0.00 177.57 176.97 3h2l h GLU 202 N 0.44 0.31 -0.65 4.17 4.81 -1.23 -0.37 114.58 122.06 3h2l h GLU 202 Ca 0.06 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3h2l h GLU 202 Cb 0.68 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 3h2l h GLU 202 CO 0.05 0.38 0.32 0.35 -0.73 0.00 0.00 179.01 179.38 3h2l h PHE 203 N 0.18 0.93 -0.59 0.92 3.57 -0.51 0.87 116.94 122.30 3h2l h PHE 203 Ca 0.07 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 3h2l h PHE 203 Cb 0.19 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 3h2l h PHE 203 CO -0.01 0.69 0.18 -0.07 -2.23 0.00 0.00 178.31 176.88 3h2l h LEU 204 N 0.89 0.86 -0.15 0.59 3.38 -0.83 -1.41 115.31 118.65 3h2l h LEU 204 Ca 0.22 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 3h2l h LEU 204 Cb 0.11 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3h2l h LEU 204 CO -0.03 0.85 -0.27 0.58 0.09 0.00 0.00 178.44 179.66 3h2l h VAL 205 N 0.84 1.36 -0.83 1.22 2.07 -0.86 -1.43 116.25 118.62 3h2l h VAL 205 Ca 0.19 -1.52 -0.03 0.00 0.82 0.00 0.00 66.70 66.17 3h2l h VAL 205 Cb 0.29 1.99 -0.04 0.00 -1.52 0.00 0.00 31.29 32.01 3h2l h VAL 205 CO -0.01 0.45 0.41 0.78 0.02 0.00 0.00 177.57 179.23 3h2l h ASN 206 N 0.05 1.06 -0.36 0.57 2.35 -0.85 -1.16 115.58 117.24 3h2l h ASN 206 Ca 0.01 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.61 3h2l h ASN 206 Cb 0.85 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 3h2l h ASN 206 CO 0.06 0.88 0.11 0.74 -1.65 0.00 0.00 177.43 177.58 3h2l h THR 207 N 1.17 1.21 -0.60 2.81 2.02 -1.25 -1.33 112.91 116.95 3h2l h THR 207 Ca 0.29 -0.68 0.01 0.00 0.77 0.00 0.00 66.41 66.79 3h2l h THR 207 Cb 0.09 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 3h2l h THR 207 CO -0.04 0.24 0.39 -0.25 0.37 0.00 0.00 175.52 176.23 3h2l h TRP 208 N 0.43 0.75 0.00 3.16 2.91 -1.04 -2.46 115.95 119.70 3h2l h TRP 208 Ca 0.12 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.15 3h2l h TRP 208 Cb 0.25 -0.25 0.00 0.00 -0.51 0.00 0.00 29.16 28.65 3h2l h TRP 208 CO 0.01 0.47 0.00 0.87 -1.03 0.00 0.00 178.44 178.76 3h2l h LYS 209 N 0.80 0.00 -0.00 2.65 1.57 -1.09 -2.98 116.57 117.52 3h2l h LYS 209 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3h2l h LYS 209 Cb -0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.22 3h2l h LYS 209 CO -0.05 0.00 -0.05 -1.13 -0.57 0.00 0.00 179.45 177.65 3h2l n SER 210 N -2.45 0.07 -4.87 0.86 3.41 -0.51 -4.81 113.62 105.31 3h2l n SER 210 Ca 0.03 0.27 -0.37 0.00 -0.26 0.00 0.00 58.87 58.54 3h2l n SER 210 Cb 0.33 -0.37 -0.06 0.00 -0.26 0.00 0.00 64.21 63.84 3h2l n SER 210 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3h2l s LYS 211 N -2.90 3.54 0.05 4.33 -0.14 -1.13 -5.01 119.74 118.48 3h2l s LYS 211 Ca 0.17 -0.05 -0.21 0.00 -1.36 0.00 0.00 55.97 54.52 3h2l s LYS 211 Cb 0.19 -3.17 -0.13 0.00 -1.68 0.00 0.00 37.83 33.04 3h2l s LYS 211 CO 0.53 0.74 1.43 0.87 -0.76 0.00 0.00 175.35 178.17 3h2l h LYS 212 N 4.73 0.28 -2.78 1.68 1.57 -1.88 -3.37 116.57 116.81 3h2l h LYS 212 Ca -0.53 -0.11 -0.60 0.00 -1.87 0.00 0.00 60.65 57.53 3h2l h LYS 212 Cb 1.22 -0.02 -0.40 0.00 0.08 0.00 0.00 32.23 33.12 3h2l h LYS 212 CO 0.60 0.57 -0.79 -0.80 -0.57 0.00 0.00 179.45 178.46 3h2l s ASN 213 N -5.87 3.16 0.36 0.86 0.01 -1.26 -5.09 114.94 107.11 3h2l s ASN 213 Ca -0.14 -2.95 -0.28 0.00 -0.71 0.00 0.00 52.86 48.78 3h2l s ASN 213 Cb 0.05 -0.91 -0.10 0.00 0.41 0.00 0.00 41.25 40.71 3h2l s ASN 213 CO 0.72 -0.21 1.30 -2.16 -1.51 0.00 0.00 177.10 175.25 3h2l s PRO 214 N -0.01 4.21 0.01 -0.60 0.04 -1.26 -0.23 135.00 137.16 3h2l s PRO 214 Ca 0.24 2.18 0.01 0.00 0.04 0.00 0.00 61.00 63.46 3h2l s PRO 214 Cb -0.12 -2.94 -0.01 0.00 0.04 0.00 0.00 34.50 31.47 3h2l s PRO 214 CO -0.09 -0.30 -0.04 1.41 0.04 0.00 0.00 177.00 178.02 3h2l s MET 215 N -1.97 0.31 0.05 4.56 1.75 -0.38 -4.70 119.30 118.91 3h2l s MET 215 Ca 0.52 -0.27 -0.00 0.00 -1.25 0.00 0.00 55.69 54.69 3h2l s MET 215 Cb -0.39 -0.22 -0.04 0.00 2.84 0.00 0.00 34.83 37.03 3h2l s MET 215 CO 0.51 0.05 -0.04 0.20 -0.65 0.00 0.00 175.02 175.09 3h2l s GLY 216 N -0.46 0.49 -0.11 2.11 0.00 -0.12 -0.61 107.32 108.63 3h2l s GLY 216 Ca -0.02 -1.16 -0.20 0.00 0.00 0.00 0.00 44.72 43.34 3h2l s GLY 216 CO -0.00 -1.26 0.50 -0.11 0.00 0.00 0.00 173.10 172.23 3h2l s PHE 217 N -3.55 -0.49 0.16 1.90 -0.71 -0.12 0.15 117.98 115.33 3h2l s PHE 217 Ca 0.05 1.03 -0.15 0.00 -1.04 0.00 0.00 56.93 56.82 3h2l s PHE 217 Cb 0.05 0.22 -0.07 0.00 -1.21 0.00 0.00 43.02 42.01 3h2l s PHE 217 CO -0.08 -0.39 0.58 -1.54 -1.34 0.00 0.00 175.22 172.45 3h2l s SER 218 N -0.51 6.86 -0.27 1.98 1.04 -1.26 -0.78 113.70 120.76 3h2l s SER 218 Ca -0.06 1.13 0.01 0.00 0.48 0.00 0.00 55.95 57.51 3h2l s SER 218 Cb -0.03 -2.31 0.05 0.00 0.10 0.00 0.00 66.02 63.83 3h2l s SER 218 CO 0.04 0.09 -0.08 -0.47 0.98 0.00 0.00 173.24 173.80 3h2l s TYR 219 N -1.48 3.23 -0.60 5.02 5.04 -0.52 -4.62 117.35 123.43 3h2l s TYR 219 Ca 0.39 -2.09 -0.20 0.00 -2.44 0.00 0.00 57.07 52.73 3h2l s TYR 219 Cb -0.15 -2.00 0.09 0.00 0.35 0.00 0.00 41.96 40.25 3h2l s TYR 219 CO 0.19 -0.84 0.77 0.34 -1.34 0.00 0.00 175.55 174.68 3h2l s ASP 220 N 1.18 6.19 0.18 4.32 2.15 -1.26 -4.23 116.67 125.19 3h2l s ASP 220 Ca -0.06 -1.20 -0.30 0.00 0.43 0.00 0.00 52.55 51.41 3h2l s ASP 220 Cb -0.19 -2.34 -0.08 0.00 -0.30 0.00 0.00 42.92 40.01 3h2l s ASP 220 CO -0.04 -1.18 1.20 -0.89 -0.17 0.00 0.00 175.17 174.09 3h2l s THR 221 N 3.10 3.60 -0.10 1.71 2.01 -1.26 0.49 115.64 125.20 3h2l s THR 221 Ca 0.16 1.33 -0.29 0.00 0.31 0.00 0.00 61.69 63.19 3h2l s THR 221 Cb -0.21 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 3h2l s THR 221 CO 0.09 0.21 1.53 -0.60 -0.69 0.00 0.00 174.62 175.15 3h2l s ARG 222 N -0.14 4.18 -0.83 4.92 3.52 -0.25 -3.97 118.95 126.38 3h2l s ARG 222 Ca 0.53 2.00 -0.01 0.00 -0.13 0.00 0.00 55.73 58.13 3h2l s ARG 222 Cb -0.32 -3.92 0.00 0.00 -1.56 0.00 0.00 34.95 29.15 3h2l s ARG 222 CO 0.36 -0.83 0.61 0.00 -0.81 0.00 0.00 175.30 174.64 3h2l h PHE 224 N -0.29 -0.29 -1.01 0.00 3.57 -1.96 -1.80 116.94 115.15 3h2l h PHE 224 Ca -0.59 0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.06 3h2l h PHE 224 Cb 1.37 0.23 -0.08 0.00 2.79 0.00 0.00 35.95 40.26 3h2l h PHE 224 CO 0.23 -0.25 0.64 -0.44 -2.23 0.00 0.00 178.31 176.26 3h2l h ASP 225 N 0.01 0.99 0.64 0.41 3.32 -1.91 -0.29 116.42 119.60 3h2l h ASP 225 Ca 0.30 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.32 3h2l h ASP 225 Cb 0.46 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3h2l h ASP 225 CO -0.62 0.59 -0.25 0.28 -1.72 0.00 0.00 179.24 177.53 3h2l h SER 226 N 1.10 0.00 1.70 6.45 0.02 -1.63 -2.52 113.55 118.67 3h2l h SER 226 Ca 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.41 3h2l h SER 226 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 3h2l h SER 226 CO -0.21 0.25 0.00 0.71 -1.14 0.00 0.00 176.83 176.43 3h2l h THR 227 N 0.00 0.00 -2.85 -2.27 1.35 -0.77 -3.45 112.91 104.93 3h2l h THR 227 Ca -0.00 -0.84 -0.55 0.00 -0.55 0.00 0.00 66.41 64.47 3h2l h THR 227 Cb 0.63 1.84 -0.01 0.00 -1.73 0.00 0.00 68.15 68.89 3h2l h THR 227 CO 0.03 0.00 0.90 -0.69 -0.25 0.00 0.00 175.52 175.51 3h2l s VAL 228 N -3.34 3.77 0.49 6.82 1.01 -0.98 -4.83 120.40 123.33 3h2l s VAL 228 Ca 0.05 1.08 0.09 0.00 0.00 0.00 0.00 61.98 63.20 3h2l s VAL 228 Cb 0.06 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.79 3h2l s VAL 228 CO 0.63 -0.04 0.65 0.42 0.00 0.00 0.00 175.10 176.76 3h2l s THR 229 N 2.91 2.60 0.22 3.92 -4.23 -1.26 -3.83 115.64 115.96 3h2l s THR 229 Ca 0.64 -1.03 -0.09 0.00 -1.18 0.00 0.00 61.69 60.04 3h2l s THR 229 Cb -0.30 -2.62 0.17 0.00 1.34 0.00 0.00 72.50 71.09 3h2l s THR 229 CO 0.25 0.00 1.84 -0.08 -0.54 0.00 0.00 174.62 176.09 3h2l h GLU 230 N 0.47 1.14 -0.55 3.99 4.81 -1.87 -2.33 114.58 120.23 3h2l h GLU 230 Ca -0.36 -0.13 0.10 0.00 -0.13 0.00 0.00 59.36 58.84 3h2l h GLU 230 Cb 1.28 -0.22 -0.08 0.00 0.63 0.00 0.00 28.75 30.36 3h2l h GLU 230 CO 0.44 0.84 0.09 -0.97 -0.73 0.00 0.00 179.01 178.68 3h2l h ASN 231 N 1.13 -0.05 -0.93 1.04 -1.24 -1.97 -0.37 115.58 113.20 3h2l h ASN 231 Ca 0.29 0.11 -0.01 0.00 0.71 0.00 0.00 56.30 57.40 3h2l h ASN 231 Cb 0.03 0.16 -0.04 0.00 0.73 0.00 0.00 38.32 39.19 3h2l h ASN 231 CO -0.05 -0.01 0.55 0.44 -1.29 0.00 0.00 177.43 177.08 3h2l h ASP 232 N 0.22 1.12 0.08 1.15 3.32 -1.81 1.00 116.42 121.50 3h2l h ASP 232 Ca 0.29 -0.07 -0.25 0.00 0.02 0.00 0.00 57.03 57.02 3h2l h ASP 232 Cb 0.42 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 39.70 3h2l h ASP 232 CO -0.39 0.87 -0.96 0.40 -1.72 0.00 0.00 179.24 177.44 3h2l h ILE 233 N 1.28 1.32 -0.58 0.35 2.04 -1.02 0.77 117.51 121.66 3h2l h ILE 233 Ca 0.33 -2.25 -0.10 0.00 1.00 0.00 0.00 64.86 63.84 3h2l h ILE 233 Cb -0.04 2.31 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 3h2l h ILE 233 CO -0.06 0.69 -0.02 0.03 0.00 0.00 0.00 178.15 178.79 3h2l h ARG 234 N 0.37 1.04 -0.51 2.37 3.08 -0.97 -1.49 114.38 118.27 3h2l h ARG 234 Ca -0.10 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 59.60 3h2l h ARG 234 Cb 1.60 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.54 3h2l h ARG 234 CO 0.18 1.03 0.25 0.28 -1.07 0.00 0.00 179.97 180.64 3h2l h VAL 235 N 0.94 1.19 -0.77 2.04 2.07 -0.57 -0.93 116.25 120.23 3h2l h VAL 235 Ca 0.16 -0.53 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 3h2l h VAL 235 Cb 0.58 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 3h2l h VAL 235 CO 0.03 0.21 0.30 1.05 0.02 0.00 0.00 177.57 179.18 3h2l h GLU 236 N 0.68 1.16 -0.90 1.57 4.11 -0.73 -2.24 114.58 118.22 3h2l h GLU 236 Ca 0.18 -0.21 0.02 0.00 0.07 0.00 0.00 59.36 59.42 3h2l h GLU 236 Cb 0.11 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.12 3h2l h GLU 236 CO -0.02 0.94 0.59 1.49 0.07 0.00 0.00 179.01 182.08 3h2l h GLU 237 N 1.13 1.14 0.00 1.06 4.81 -0.92 -1.66 114.58 120.14 3h2l h GLU 237 Ca 0.26 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 3h2l h GLU 237 Cb 0.23 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 3h2l h GLU 237 CO -0.02 0.76 -0.22 0.66 -0.73 0.00 0.00 179.01 179.46 3h2l h SER 238 N 1.18 0.00 -0.05 1.04 4.64 -0.60 -0.20 113.55 119.55 3h2l h SER 238 Ca 0.34 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.57 3h2l h SER 238 Cb -0.06 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.03 3h2l h SER 238 CO -0.09 0.22 -0.34 0.40 -0.87 0.00 0.00 176.83 176.15 3h2l h ILE 239 N 0.00 1.44 -0.63 0.95 2.04 -0.94 -3.05 117.51 117.32 3h2l h ILE 239 Ca -0.00 -1.79 0.08 0.00 1.00 0.00 0.00 64.86 64.14 3h2l h ILE 239 Cb 0.42 2.41 -0.06 0.00 -0.74 0.00 0.00 36.82 38.85 3h2l h ILE 239 CO 0.03 0.51 0.30 1.88 0.00 0.00 0.00 178.15 180.87 3h2l h TYR 240 N -0.19 0.53 0.00 1.37 0.05 -0.83 -2.29 116.97 115.61 3h2l h TYR 240 Ca -0.03 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3h2l h TYR 240 Cb 1.01 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.61 3h2l h TYR 240 CO 0.14 0.21 0.00 1.96 -1.05 0.00 0.00 178.16 179.41 3h2l h GLN 241 N 0.54 0.00 0.00 4.88 1.08 -1.06 -1.89 115.11 118.65 3h2l h GLN 241 Ca 0.30 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.47 3h2l h GLN 241 Cb 0.29 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.71 3h2l h GLN 241 CO -0.24 0.00 -0.12 0.00 -0.95 0.00 0.00 178.83 177.52 3h2l s ASP 244 N -2.35 6.37 0.09 0.00 -1.08 0.45 -4.96 116.67 115.19 3h2l s ASP 244 Ca 0.70 0.95 0.06 0.00 -0.52 0.00 0.00 52.55 53.74 3h2l s ASP 244 Cb -0.25 -2.54 -0.03 0.00 -1.46 0.00 0.00 42.92 38.64 3h2l s ASP 244 CO 0.45 -1.38 -0.15 -0.76 0.52 0.00 0.00 175.17 173.85 3h2l s LEU 245 N 5.32 2.31 0.49 -1.34 1.43 -1.26 -1.60 118.68 124.04 3h2l s LEU 245 Ca 0.62 -0.68 -0.24 0.00 -1.03 0.00 0.00 54.13 52.80 3h2l s LEU 245 Cb -0.15 -0.57 -0.07 0.00 0.03 0.00 0.00 46.19 45.43 3h2l s LEU 245 CO 0.31 -0.08 1.42 0.00 0.23 0.00 0.00 176.35 178.23 3h2l n ALA 246 N 1.05 1.90 -0.31 4.21 0.00 -1.26 -4.84 120.51 121.26 3h2l n ALA 246 Ca -0.19 0.20 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3h2l n ALA 246 Cb 0.55 -2.39 0.28 0.00 0.00 0.00 0.00 19.45 17.89 3h2l n ALA 246 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3h2l h PRO 247 N 1.94 0.55 -0.77 0.00 0.11 -2.00 -1.32 132.00 130.52 3h2l h PRO 247 Ca -0.51 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.52 3h2l h PRO 247 Cb 1.28 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 3h2l h PRO 247 CO 0.59 0.36 0.31 0.93 -0.21 0.00 0.00 178.00 179.99 3h2l h GLU 248 N 0.57 1.14 -0.50 1.05 5.08 -2.00 -2.51 114.58 117.41 3h2l h GLU 248 Ca 0.53 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3h2l h GLU 248 Cb 0.88 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 3h2l h GLU 248 CO -0.43 0.93 0.32 0.00 -1.00 0.00 0.00 179.01 178.82 3h2l h ALA 249 N 1.16 0.64 -0.71 3.43 0.00 -1.64 -1.32 119.26 120.82 3h2l h ALA 249 Ca 0.26 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.16 3h2l h ALA 249 Cb 0.21 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 3h2l h ALA 249 CO -0.02 0.11 0.43 0.00 0.00 0.00 0.00 179.25 179.76 3h2l h ARG 250 N 0.68 0.79 -0.29 0.00 3.08 -1.10 -1.19 114.38 116.34 3h2l h ARG 250 Ca 0.18 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 60.06 3h2l h ARG 250 Cb -0.04 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 29.83 3h2l h ARG 250 CO -0.04 0.52 -0.30 0.37 -1.07 0.00 0.00 179.97 179.45 3h2l h GLN 251 N 0.81 0.71 -0.47 0.04 5.75 -1.32 -1.98 115.11 118.65 3h2l h GLN 251 Ca 0.30 -0.38 -0.11 0.00 -0.15 0.00 0.00 58.65 58.31 3h2l h GLN 251 Cb 0.11 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 3h2l h GLN 251 CO -0.15 0.99 -0.15 0.00 -2.65 0.00 0.00 178.83 176.88 3h2l h ALA 252 N 0.70 0.85 -0.25 3.38 0.00 -1.02 0.18 119.26 123.10 3h2l h ALA 252 Ca 0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 3h2l h ALA 252 Cb 0.87 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3h2l h ALA 252 CO 0.07 0.65 0.11 0.82 0.00 0.00 0.00 179.25 180.90 3h2l h ILE 253 N 0.80 1.15 -0.15 0.00 2.04 -1.21 0.32 117.51 120.46 3h2l h ILE 253 Ca 0.12 -0.45 0.03 0.00 1.00 0.00 0.00 64.86 65.55 3h2l h ILE 253 Cb 0.68 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 3h2l h ILE 253 CO 0.05 0.16 -0.03 0.50 0.00 0.00 0.00 178.15 178.83 3h2l h LYS 254 N 0.27 0.01 -0.10 2.37 3.64 -1.21 -1.17 116.57 120.37 3h2l h LYS 254 Ca 0.09 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.48 3h2l h LYS 254 Cb 0.14 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3h2l h LYS 254 CO -0.01 0.01 0.01 1.03 -2.27 0.00 0.00 179.45 178.22 3h2l h SER 255 N 0.01 -0.01 -0.60 4.20 0.87 -0.69 -1.11 113.55 116.23 3h2l h SER 255 Ca 0.07 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.61 3h2l h SER 255 Cb 0.10 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 3h2l h SER 255 CO -0.14 0.01 0.26 -0.07 -0.53 0.00 0.00 176.83 176.36 3h2l h LEU 256 N 0.05 0.83 0.62 2.23 3.38 -0.33 0.42 115.31 122.51 3h2l h LEU 256 Ca 0.05 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3h2l h LEU 256 Cb 0.04 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.59 3h2l h LEU 256 CO -0.07 0.74 -0.30 0.74 0.09 0.00 0.00 178.44 179.64 3h2l h THR 257 N 0.90 0.39 -0.57 0.22 2.02 -0.84 0.19 112.91 115.22 3h2l h THR 257 Ca 0.21 -0.03 -0.07 0.00 0.77 0.00 0.00 66.41 67.29 3h2l h THR 257 Cb 0.16 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 3h2l h THR 257 CO -0.02 0.00 0.08 -0.33 0.37 0.00 0.00 175.52 175.62 3h2l h GLU 258 N -0.85 0.96 0.00 6.66 4.39 -1.02 -1.80 114.58 122.92 3h2l h GLU 258 Ca -0.08 -0.27 -0.05 0.00 0.34 0.00 0.00 59.36 59.30 3h2l h GLU 258 Cb 0.64 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 3h2l h GLU 258 CO 0.14 0.92 -1.30 0.54 -1.16 0.00 0.00 179.01 178.15 3h2l n ARG 259 N -4.31 0.62 0.06 2.33 1.74 0.12 -4.69 116.66 112.53 3h2l n ARG 259 Ca 0.02 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 3h2l n ARG 259 Cb 0.28 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 3h2l n ARG 259 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3h2l n LEU 260 N -2.65 0.52 -0.14 0.55 7.94 0.48 -0.58 117.00 123.11 3h2l n LEU 260 Ca -0.04 0.20 -0.11 0.00 -1.11 0.00 0.00 56.01 54.95 3h2l n LEU 260 Cb 0.63 -0.06 -0.02 0.00 0.53 0.00 0.00 43.42 44.50 3h2l n LEU 260 CO 0.42 -0.63 0.72 1.88 -1.11 0.00 0.00 177.39 178.67 3h2l h TYR 261 N 0.00 0.87 -0.38 1.96 0.05 -0.92 -2.80 116.97 115.75 3h2l h TYR 261 Ca 0.00 -0.19 -0.01 0.00 0.05 0.00 0.00 58.73 58.58 3h2l h TYR 261 Cb 0.16 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.67 3h2l h TYR 261 CO 0.00 0.90 0.19 0.82 -1.05 0.00 0.00 178.16 179.02 3h2l h ILE 262 N 0.59 1.13 0.00 -2.88 2.04 -1.57 -3.41 117.51 113.41 3h2l h ILE 262 Ca 0.10 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.60 3h2l h ILE 262 Cb 0.62 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3h2l h ILE 262 CO 0.04 0.15 0.00 0.61 0.00 0.00 0.00 178.15 178.95 3h2l n GLY 263 N -1.30 -2.73 0.00 5.37 0.00 -1.06 -3.94 105.19 101.53 3h2l n GLY 263 Ca 0.02 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.72 3h2l n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h2l n GLY 264 N -0.87 0.81 3.78 -0.02 0.00 -0.34 -4.18 105.19 104.37 3h2l n GLY 264 Ca 0.00 -1.15 -0.35 0.00 0.00 0.00 0.00 46.02 44.52 3h2l n GLY 264 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h2l s PRO 265 N -2.00 3.85 -0.12 1.61 0.04 -1.26 -0.01 135.00 137.11 3h2l s PRO 265 Ca 0.00 1.52 -0.00 0.00 0.04 0.00 0.00 61.00 62.56 3h2l s PRO 265 Cb 0.00 -2.28 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 3h2l s PRO 265 CO 0.00 -0.41 -0.12 -0.51 0.04 0.00 0.00 177.00 176.00 3h2l s LEU 266 N -3.17 2.81 -0.03 -3.56 1.43 -0.06 -2.78 118.68 113.33 3h2l s LEU 266 Ca 0.64 -0.27 0.05 0.00 -1.03 0.00 0.00 54.13 53.52 3h2l s LEU 266 Cb -0.21 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 3h2l s LEU 266 CO 0.26 0.19 -0.18 -0.89 0.23 0.00 0.00 176.35 175.96 3h2l s THR 267 N 0.19 1.48 0.94 5.49 2.01 -0.49 -0.31 115.64 124.94 3h2l s THR 267 Ca -0.07 -0.77 -0.15 0.00 0.31 0.00 0.00 61.69 61.01 3h2l s THR 267 Cb -0.15 -1.25 0.19 0.00 0.01 0.00 0.00 72.50 71.30 3h2l s THR 267 CO 0.05 0.42 1.29 0.54 -0.69 0.00 0.00 174.62 176.23 3h2l s ASN 268 N -0.20 3.24 0.60 3.53 2.20 -0.32 -1.42 114.94 122.57 3h2l s ASN 268 Ca 0.01 0.22 0.36 0.00 -0.94 0.00 0.00 52.86 52.52 3h2l s ASN 268 Cb -0.10 -0.30 1.88 0.00 -2.00 0.00 0.00 41.25 40.73 3h2l s ASN 268 CO 0.01 -2.65 2.20 0.77 -2.94 0.00 0.00 177.10 174.49 3h2l h SER 269 N -1.54 0.00 0.06 3.54 4.64 -1.78 -0.67 113.55 117.80 3h2l h SER 269 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3h2l h SER 269 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3h2l h SER 269 CO 0.39 0.03 -0.04 0.29 -0.87 0.00 0.00 176.83 176.63 3h2l n LYS 270 N -3.30 1.29 -0.83 4.77 5.02 -1.26 -4.93 118.16 118.93 3h2l n LYS 270 Ca -0.02 -0.58 0.00 0.00 -2.02 0.00 0.00 58.31 55.69 3h2l n LYS 270 Cb 0.17 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 3h2l n LYS 270 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h2l n GLY 271 N 1.16 0.54 3.85 0.72 0.00 -0.26 -5.05 105.19 106.15 3h2l n GLY 271 Ca 0.19 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 3h2l n GLY 271 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h2l s GLN 272 N -0.82 3.94 -0.11 1.61 -0.21 -1.26 -4.84 119.66 117.97 3h2l s GLN 272 Ca 0.00 0.43 -0.30 0.00 0.02 0.00 0.00 55.36 55.51 3h2l s GLN 272 Cb 0.00 -2.95 -0.02 0.00 1.00 0.00 0.00 33.01 31.04 3h2l s GLN 272 CO 0.00 0.50 1.24 1.21 -2.12 0.00 0.00 175.29 176.12 3h2l s ASN 273 N -1.72 6.98 -0.02 5.90 3.04 -1.26 -1.17 114.94 126.69 3h2l s ASN 273 Ca 0.37 1.76 0.21 0.00 0.04 0.00 0.00 52.86 55.24 3h2l s ASN 273 Cb -0.15 -2.55 -0.29 0.00 -1.54 0.00 0.00 41.25 36.73 3h2l s ASN 273 CO 0.19 -0.69 0.60 0.00 -3.04 0.00 0.00 177.10 174.17 3h2l n GLY 275 N 1.37 0.48 2.90 0.00 0.00 -1.19 -1.21 105.19 107.54 3h2l n GLY 275 Ca -0.01 -1.39 -0.13 0.00 0.00 0.00 0.00 46.02 44.48 3h2l n GLY 275 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3h2l s TYR 276 N -4.00 0.17 -0.13 1.61 5.04 0.00 -0.89 117.35 119.16 3h2l s TYR 276 Ca 0.00 -0.04 -0.03 0.00 -2.44 0.00 0.00 57.07 54.55 3h2l s TYR 276 Cb 0.00 -0.11 -0.03 0.00 0.35 0.00 0.00 41.96 42.17 3h2l s TYR 276 CO 0.00 -0.01 -0.01 0.50 -1.34 0.00 0.00 175.55 174.69 3h2l s ARG 277 N -0.08 3.42 -0.14 4.97 3.52 0.99 -1.34 118.95 130.29 3h2l s ARG 277 Ca 0.00 -0.45 0.15 0.00 -0.13 0.00 0.00 55.73 55.30 3h2l s ARG 277 Cb -0.01 -2.90 0.39 0.00 -1.56 0.00 0.00 34.95 30.87 3h2l s ARG 277 CO -0.00 0.44 1.19 0.54 -0.81 0.00 0.00 175.30 176.66 3h2l n ARG 278 N 2.95 1.07 -3.70 5.12 1.74 -0.36 -1.20 116.66 122.27 3h2l n ARG 278 Ca -0.18 -2.79 -0.15 0.00 -0.77 0.00 0.00 57.85 53.96 3h2l n ARG 278 Cb 0.53 -1.13 -0.06 0.00 -1.02 0.00 0.00 32.46 30.79 3h2l n ARG 278 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3h2l n ARG 280 N -0.49 2.22 -2.66 0.00 3.00 -1.00 -4.61 116.66 113.12 3h2l n ARG 280 Ca 0.06 0.80 -0.41 0.00 -0.00 0.00 0.00 57.85 58.30 3h2l n ARG 280 Cb 0.47 -2.61 -0.05 0.00 0.00 0.00 0.00 32.46 30.27 3h2l n ARG 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3h2l s ALA 281 N 1.94 3.32 -0.79 5.13 0.00 -1.26 -4.75 121.76 125.35 3h2l s ALA 281 Ca 0.83 0.68 0.26 0.00 0.00 0.00 0.00 51.96 53.73 3h2l s ALA 281 Cb -0.66 -3.28 0.81 0.00 0.00 0.00 0.00 23.12 19.98 3h2l s ALA 281 CO 0.42 -0.01 1.71 -1.13 0.00 0.00 0.00 175.76 176.75 3h2l n SER 282 N 2.14 0.60 -2.18 0.00 3.41 -1.25 -4.17 113.62 112.16 3h2l n SER 282 Ca 0.01 0.43 -0.27 0.00 -0.26 0.00 0.00 58.87 58.78 3h2l n SER 282 Cb 0.47 -0.50 0.02 0.00 -0.26 0.00 0.00 64.21 63.94 3h2l n SER 282 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h2l n GLY 283 N 1.37 6.23 3.59 5.00 0.00 0.38 -4.21 105.19 117.55 3h2l n GLY 283 Ca 0.05 -2.64 -0.24 0.00 0.00 0.00 0.00 46.02 43.19 3h2l n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h2l s VAL 284 N -4.84 2.81 0.37 1.61 -7.23 -1.22 -4.35 120.40 107.55 3h2l s VAL 284 Ca 0.52 -2.07 0.08 0.00 -1.81 0.00 0.00 61.98 58.70 3h2l s VAL 284 Cb 0.42 -2.68 0.31 0.00 0.56 0.00 0.00 36.38 34.98 3h2l s VAL 284 CO -0.03 -0.30 1.94 0.25 -0.31 0.00 0.00 175.10 176.65 3h2l h LEU 285 N 1.95 0.61 -0.69 1.32 5.85 -1.79 -2.27 115.31 120.30 3h2l h LEU 285 Ca -0.42 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.31 3h2l h LEU 285 Cb 1.25 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.17 3h2l h LEU 285 CO 0.63 0.38 0.00 0.35 -0.34 0.00 0.00 178.44 179.46 3h2l n THR 286 N -4.49 0.10 -0.05 1.05 -2.24 -1.26 -4.37 114.28 103.02 3h2l n THR 286 Ca 0.12 -0.21 -0.08 0.00 -2.27 0.00 0.00 64.05 61.61 3h2l n THR 286 Cb 0.30 0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 68.65 3h2l n THR 286 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3h2l h THR 287 N 1.46 0.38 0.05 4.28 2.02 -1.67 0.56 112.91 119.99 3h2l h THR 287 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3h2l h THR 287 Cb 0.32 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 3h2l h THR 287 CO 0.00 0.00 -0.03 -1.28 0.37 0.00 0.00 175.52 174.58 3h2l h SER 288 N -0.26 -0.06 -0.27 4.18 0.87 -1.76 -1.37 113.55 114.87 3h2l h SER 288 Ca 0.13 -0.38 -0.00 0.00 -1.23 0.00 0.00 61.79 60.31 3h2l h SER 288 Cb 0.47 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 3h2l h SER 288 CO -0.39 0.36 0.15 0.00 -0.53 0.00 0.00 176.83 176.43 3h2l h GLY 290 N 0.33 0.18 1.28 0.00 0.00 0.10 -0.80 103.07 104.15 3h2l h GLY 290 Ca 0.10 -0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.35 3h2l h GLY 290 CO -0.02 0.01 0.14 3.43 0.00 0.00 0.00 176.54 180.11 3h2l h ASN 291 N 0.11 0.84 0.23 0.19 2.35 -1.17 -1.74 115.58 116.39 3h2l h ASN 291 Ca 0.07 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 3h2l h ASN 291 Cb 0.05 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.20 3h2l h ASN 291 CO -0.08 0.82 -0.11 0.74 -1.65 0.00 0.00 177.43 177.15 3h2l h THR 292 N 0.87 0.84 -0.52 2.81 2.02 -0.69 0.26 112.91 118.49 3h2l h THR 292 Ca 0.19 -0.62 0.08 0.00 0.77 0.00 0.00 66.41 66.83 3h2l h THR 292 Cb 0.31 1.18 -0.07 0.00 -1.74 0.00 0.00 68.15 67.84 3h2l h THR 292 CO -0.00 0.13 0.14 -0.07 0.37 0.00 0.00 175.52 176.10 3h2l h LEU 293 N -0.64 0.09 -0.24 2.58 3.38 -1.16 0.56 115.31 119.89 3h2l h LEU 293 Ca -0.03 0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 3h2l h LEU 293 Cb 0.45 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 3h2l h LEU 293 CO 0.05 0.08 -0.30 0.74 0.09 0.00 0.00 178.44 179.10 3h2l h THR 294 N 0.30 1.32 -0.52 0.22 2.02 -1.21 0.57 112.91 115.61 3h2l h THR 294 Ca 0.26 -1.48 0.03 0.00 0.77 0.00 0.00 66.41 65.99 3h2l h THR 294 Cb 0.32 1.71 -0.04 0.00 -1.74 0.00 0.00 68.15 68.40 3h2l h THR 294 CO -0.30 0.46 0.29 0.00 0.37 0.00 0.00 175.52 176.34 3h2l h TYR 296 N 0.57 0.88 0.50 0.00 3.20 -0.73 -0.69 116.97 120.70 3h2l h TYR 296 Ca 0.22 -0.18 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 3h2l h TYR 296 Cb 0.08 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 3h2l h TYR 296 CO -0.08 0.90 -0.36 1.25 -1.64 0.00 0.00 178.16 178.22 3h2l h LEU 297 N 0.61 -0.94 -0.45 2.82 5.85 -0.81 0.68 115.31 123.06 3h2l h LEU 297 Ca 0.11 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 3h2l h LEU 297 Cb 0.59 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 3h2l h LEU 297 CO 0.04 -0.54 0.25 0.11 -0.34 0.00 0.00 178.44 177.96 3h2l h LYS 298 N -0.84 0.63 -0.40 1.25 1.57 -1.35 -2.02 116.57 115.41 3h2l h LYS 298 Ca -0.05 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.58 3h2l h LYS 298 Cb 0.71 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 3h2l h LYS 298 CO 0.02 0.50 -0.05 0.00 -0.57 0.00 0.00 179.45 179.34 3h2l h ALA 299 N 1.10 0.54 -0.90 3.86 0.00 -1.11 -0.29 119.26 122.47 3h2l h ALA 299 Ca 0.16 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.80 3h2l h ALA 299 Cb 0.04 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 3h2l h ALA 299 CO -0.03 0.37 0.59 0.77 0.00 0.00 0.00 179.25 180.96 3h2l h SER 300 N 0.56 1.00 0.30 0.00 0.02 -0.72 0.72 113.55 115.42 3h2l h SER 300 Ca 0.11 -0.02 -0.20 0.00 -0.84 0.00 0.00 61.79 60.84 3h2l h SER 300 Cb 0.56 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 3h2l h SER 300 CO 0.03 0.70 -0.82 0.00 -1.14 0.00 0.00 176.83 175.61 3h2l h ALA 301 N 1.36 0.50 -0.26 3.77 0.00 -1.16 -2.94 119.26 120.52 3h2l h ALA 301 Ca 0.35 -0.65 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 3h2l h ALA 301 Cb -0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3h2l h ALA 301 CO -0.10 0.79 -0.25 0.00 0.00 0.00 0.00 179.25 179.69 3h2l h ALA 302 N 0.85 1.08 -0.84 0.00 0.00 -0.51 -1.36 119.26 118.49 3h2l h ALA 302 Ca -0.05 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.52 3h2l h ALA 302 Cb 1.42 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 3h2l h ALA 302 CO 0.14 0.56 0.55 0.00 0.00 0.00 0.00 179.25 180.51 3h2l h ARG 304 N 1.13 0.67 -0.70 0.00 3.08 -1.28 0.00 114.38 117.29 3h2l h ARG 304 Ca 0.31 -0.26 0.03 0.00 0.07 0.00 0.00 59.98 60.13 3h2l h ARG 304 Cb -0.12 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 29.85 3h2l h ARG 304 CO -0.07 0.84 0.44 0.00 -1.07 0.00 0.00 179.97 180.11 3h2l h ALA 305 N 0.81 0.91 -0.00 0.04 0.00 -1.03 -2.30 119.26 117.69 3h2l h ALA 305 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3h2l h ALA 305 Cb 0.60 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3h2l h ALA 305 CO 0.04 0.21 -0.04 0.00 0.00 0.00 0.00 179.25 179.45 3h2l n ALA 306 N -2.31 2.52 -3.69 0.00 0.00 0.02 -4.94 120.51 112.11 3h2l n ALA 306 Ca 0.07 -0.15 -0.24 0.00 0.00 0.00 0.00 53.44 53.12 3h2l n ALA 306 Cb 0.09 -1.44 0.05 0.00 0.00 0.00 0.00 19.45 18.15 3h2l n ALA 306 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h2l n LYS 307 N -1.33 -6.26 -2.03 0.00 5.02 -0.08 -4.86 118.16 108.62 3h2l n LYS 307 Ca 0.11 0.71 -0.41 0.00 -2.02 0.00 0.00 58.31 56.70 3h2l n LYS 307 Cb 0.29 -5.59 -0.02 0.00 -0.02 0.00 0.00 35.03 29.69 3h2l n LYS 307 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h2l s LEU 308 N -6.99 4.40 -0.10 -0.35 1.02 -0.76 -4.99 118.68 110.91 3h2l s LEU 308 Ca 0.37 2.78 -0.14 0.00 0.02 0.00 0.00 54.13 57.16 3h2l s LEU 308 Cb -0.17 -3.65 -0.05 0.00 0.02 0.00 0.00 46.19 42.34 3h2l s LEU 308 CO 0.78 -0.64 0.34 -1.10 0.02 0.00 0.00 176.35 175.75 3h2l s GLN 309 N -1.70 4.06 -1.22 1.70 -1.52 -1.26 -4.45 119.66 115.27 3h2l s GLN 309 Ca 0.51 0.22 -0.29 0.00 -1.95 0.00 0.00 55.36 53.85 3h2l s GLN 309 Cb -0.42 -3.33 0.03 0.00 -0.22 0.00 0.00 33.01 29.07 3h2l s GLN 309 CO 0.54 0.44 0.67 -3.47 -0.25 0.00 0.00 175.29 173.23 3h2l n ASP 310 N 2.82 -4.10 -4.70 5.90 2.03 -1.26 -0.96 116.55 116.28 3h2l n ASP 310 Ca -0.13 -1.23 -0.38 0.00 0.52 0.00 0.00 54.79 53.57 3h2l n ASP 310 Cb 0.52 -2.11 -0.06 0.00 -0.72 0.00 0.00 41.12 38.75 3h2l n ASP 310 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h2l s THR 312 N 0.88 2.06 0.00 0.00 2.01 0.17 -4.99 115.64 115.78 3h2l s THR 312 Ca 0.23 -1.00 0.01 0.00 0.31 0.00 0.00 61.69 61.25 3h2l s THR 312 Cb -0.15 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 3h2l s THR 312 CO 0.09 0.55 0.02 -0.04 -0.69 0.00 0.00 174.62 174.56 3h2l s MET 313 N 0.60 2.86 -0.14 4.92 -1.94 -1.26 -0.68 119.30 123.66 3h2l s MET 313 Ca -0.12 -0.58 -0.01 0.00 -1.71 0.00 0.00 55.69 53.27 3h2l s MET 313 Cb -0.17 -2.72 0.03 0.00 2.01 0.00 0.00 34.83 33.99 3h2l s MET 313 CO 0.03 0.63 -0.06 -1.17 -0.01 0.00 0.00 175.02 174.44 3h2l s LEU 314 N -1.64 1.37 -0.10 -0.03 2.96 -0.01 -4.23 118.68 116.99 3h2l s LEU 314 Ca 0.21 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.65 3h2l s LEU 314 Cb -0.12 -0.86 0.02 0.00 0.50 0.00 0.00 46.19 45.73 3h2l s LEU 314 CO 0.12 -0.16 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.17 3h2l s VAL 315 N 1.69 1.34 -0.42 1.68 1.01 0.04 -1.93 120.40 123.81 3h2l s VAL 315 Ca 0.03 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.48 3h2l s VAL 315 Cb -0.14 -1.25 0.12 0.00 0.00 0.00 0.00 36.38 35.12 3h2l s VAL 315 CO -0.08 0.41 0.19 0.20 0.00 0.00 0.00 175.10 175.82 3h2l s ASN 316 N 1.06 4.04 1.74 3.32 -0.87 0.28 -1.42 114.94 123.09 3h2l s ASN 316 Ca -0.06 -2.44 0.00 0.00 -1.57 0.00 0.00 52.86 48.79 3h2l s ASN 316 Cb -0.15 -1.23 0.00 0.00 -0.02 0.00 0.00 41.25 39.86 3h2l s ASN 316 CO -0.02 -0.31 0.00 0.61 -2.57 0.00 0.00 177.10 174.81 3h2l n GLY 317 N 3.81 3.87 0.00 0.66 0.00 -1.26 -0.64 105.19 111.63 3h2l n GLY 317 Ca 0.05 0.08 0.15 0.00 0.00 0.00 0.00 46.02 46.30 3h2l n GLY 317 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3h2l n ASP 318 N 6.71 0.00 -4.63 1.61 5.75 -1.26 -3.87 116.55 120.86 3h2l n ASP 318 Ca 0.00 -0.93 -0.39 0.00 -0.01 0.00 0.00 54.79 53.46 3h2l n ASP 318 Cb 0.00 -0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.01 3h2l n ASP 318 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3h2l s ASP 319 N -2.01 6.39 -0.04 -1.12 -1.08 0.18 -4.68 116.67 114.31 3h2l s ASP 319 Ca 0.45 0.46 0.02 0.00 -0.52 0.00 0.00 52.55 52.95 3h2l s ASP 319 Cb 0.21 -2.24 0.02 0.00 -1.46 0.00 0.00 42.92 39.44 3h2l s ASP 319 CO 0.35 -0.18 -0.06 -0.22 0.52 0.00 0.00 175.17 175.58 3h2l s LEU 320 N 1.86 1.51 -0.02 -1.34 2.96 -1.26 -0.56 118.68 121.84 3h2l s LEU 320 Ca 0.19 -0.16 0.03 0.00 -0.22 0.00 0.00 54.13 53.97 3h2l s LEU 320 Cb -0.15 -0.49 -0.00 0.00 0.50 0.00 0.00 46.19 46.04 3h2l s LEU 320 CO 0.09 -0.01 -0.09 0.54 -1.32 0.00 0.00 176.35 175.56 3h2l s VAL 321 N 0.65 0.75 -0.08 1.68 0.11 -0.81 -1.43 120.40 121.26 3h2l s VAL 321 Ca -0.09 -0.37 0.04 0.00 -2.93 0.00 0.00 61.98 58.63 3h2l s VAL 321 Cb -0.13 -0.65 -0.00 0.00 -1.53 0.00 0.00 36.38 34.07 3h2l s VAL 321 CO 0.01 0.23 -0.23 -0.69 -3.33 0.00 0.00 175.10 171.09 3h2l s VAL 322 N 0.03 1.91 -0.11 2.04 1.01 0.04 -0.83 120.40 124.49 3h2l s VAL 322 Ca -0.00 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.05 3h2l s VAL 322 Cb -0.06 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.67 3h2l s VAL 322 CO 0.00 0.53 -0.21 -0.63 0.00 0.00 0.00 175.10 174.79 3h2l s ILE 323 N 0.20 1.89 0.21 2.22 1.01 0.15 -0.95 121.20 125.93 3h2l s ILE 323 Ca -0.13 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 59.64 3h2l s ILE 323 Cb -0.16 -1.66 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 3h2l s ILE 323 CO 0.06 0.52 0.22 0.00 0.00 0.00 0.00 174.94 175.75 3h2l s GLU 325 N -2.71 4.45 0.49 0.00 0.41 -0.13 -1.25 118.70 119.95 3h2l s GLU 325 Ca 0.22 1.11 -0.22 0.00 -0.41 0.00 0.00 54.97 55.67 3h2l s GLU 325 Cb 0.01 -3.48 -0.07 0.00 -1.78 0.00 0.00 34.13 28.81 3h2l s GLU 325 CO 0.16 -0.08 1.21 0.45 -0.49 0.00 0.00 175.26 176.51 3h2l s SER 326 N 0.96 5.90 -0.16 -0.19 0.15 0.68 -4.48 113.70 116.56 3h2l s SER 326 Ca 0.43 2.41 0.17 0.00 0.70 0.00 0.00 55.95 59.66 3h2l s SER 326 Cb -0.19 -2.61 0.47 0.00 -1.71 0.00 0.00 66.02 61.99 3h2l s SER 326 CO 0.20 -1.11 1.36 0.00 1.20 0.00 0.00 173.24 174.89 3h2l n ALA 327 N -0.69 2.82 0.00 5.45 0.00 -1.26 -4.91 120.51 121.92 3h2l n ALA 327 Ca 0.08 -2.32 0.00 0.00 0.00 0.00 0.00 53.44 51.21 3h2l n ALA 327 Cb 0.47 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.29 3h2l n ALA 327 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h2l n GLY 328 N -0.64 0.35 0.27 0.00 0.00 -1.26 -4.46 105.19 99.45 3h2l n GLY 328 Ca 0.20 -1.75 -0.02 0.00 0.00 0.00 0.00 46.02 44.46 3h2l n GLY 328 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3h2l h THR 329 N 0.00 1.22 0.18 2.61 1.35 -1.98 0.24 112.91 116.53 3h2l h THR 329 Ca 0.00 -0.90 -0.01 0.00 -0.55 0.00 0.00 66.41 64.96 3h2l h THR 329 Cb 0.00 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.39 3h2l h THR 329 CO 0.00 0.31 -0.09 -0.61 -0.25 0.00 0.00 175.52 174.88 3h2l h GLN 330 N 0.56 -0.24 -0.35 4.72 4.15 -2.00 -2.23 115.11 119.73 3h2l h GLN 330 Ca 0.11 0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.47 3h2l h GLN 330 Cb 0.40 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 3h2l h GLN 330 CO 0.02 0.10 -0.11 0.93 -1.93 0.00 0.00 178.83 177.83 3h2l h GLU 331 N -0.60 0.59 -0.73 1.69 4.39 -1.75 -2.05 114.58 116.14 3h2l h GLU 331 Ca -0.03 -0.18 -0.07 0.00 0.34 0.00 0.00 59.36 59.43 3h2l h GLU 331 Cb 0.44 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 3h2l h GLU 331 CO 0.04 0.70 0.19 -0.44 -1.16 0.00 0.00 179.01 178.34 3h2l h ASP 332 N 0.55 1.09 -0.55 1.42 3.32 -0.98 0.11 116.42 121.38 3h2l h ASP 332 Ca 0.10 -0.23 -0.09 0.00 0.02 0.00 0.00 57.03 56.83 3h2l h ASP 332 Cb 0.52 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3h2l h ASP 332 CO 0.03 1.03 -0.02 0.00 -1.72 0.00 0.00 179.24 178.56 3h2l h ALA 333 N 1.10 0.74 -0.14 3.45 0.00 -1.12 -1.45 119.26 121.83 3h2l h ALA 333 Ca 0.23 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3h2l h ALA 333 Cb 0.35 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3h2l h ALA 333 CO -0.00 0.58 -0.05 0.00 0.00 0.00 0.00 179.25 179.78 3h2l h ALA 334 N 0.95 0.19 -0.35 0.00 0.00 -1.25 -2.06 119.26 116.75 3h2l h ALA 334 Ca 0.15 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.89 3h2l h ALA 334 Cb 0.57 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 3h2l h ALA 334 CO 0.03 -0.04 -0.22 0.77 0.00 0.00 0.00 179.25 179.79 3h2l h SER 335 N -0.04 -0.73 -0.38 0.00 0.02 -0.76 -1.18 113.55 110.48 3h2l h SER 335 Ca 0.03 0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 3h2l h SER 335 Cb 0.49 0.37 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 3h2l h SER 335 CO 0.02 -0.25 0.19 -0.07 -1.14 0.00 0.00 176.83 175.58 3h2l h LEU 336 N -0.17 0.52 -0.37 5.07 3.38 -1.22 0.52 115.31 123.04 3h2l h LEU 336 Ca 0.17 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3h2l h LEU 336 Cb 0.44 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3h2l h LEU 336 CO -0.45 0.45 0.14 0.03 0.09 0.00 0.00 178.44 178.70 3h2l h ARG 337 N 0.58 0.56 -0.31 1.13 3.08 -0.68 -0.68 114.38 118.05 3h2l h ARG 337 Ca 0.15 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3h2l h ARG 337 Cb 0.08 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3h2l h ARG 337 CO -0.02 0.55 0.15 0.28 -1.07 0.00 0.00 179.97 179.86 3h2l h VAL 338 N 0.45 1.15 -0.71 2.04 2.07 -0.47 0.13 116.25 120.91 3h2l h VAL 338 Ca 0.12 -0.44 0.13 0.00 0.82 0.00 0.00 66.70 67.34 3h2l h VAL 338 Cb 0.21 0.87 -0.09 0.00 -1.52 0.00 0.00 31.29 30.75 3h2l h VAL 338 CO -0.01 0.16 0.26 0.15 0.02 0.00 0.00 177.57 178.15 3h2l h PHE 339 N 0.37 0.43 -0.43 1.57 3.57 -0.84 0.28 116.94 121.90 3h2l h PHE 339 Ca 0.11 0.04 -0.14 0.00 3.53 0.00 0.00 57.97 61.50 3h2l h PHE 339 Cb 0.11 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 3h2l h PHE 339 CO -0.02 0.04 -0.29 1.15 -2.23 0.00 0.00 178.31 176.96 3h2l h THR 340 N 0.40 1.27 -0.47 4.41 2.02 -0.71 -0.57 112.91 119.27 3h2l h THR 340 Ca 0.39 -1.46 0.02 0.00 0.77 0.00 0.00 66.41 66.12 3h2l h THR 340 Cb 0.57 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 3h2l h THR 340 CO -0.40 0.50 0.28 -0.33 0.37 0.00 0.00 175.52 175.94 3h2l h GLU 341 N 0.79 0.55 0.00 6.66 5.08 -0.13 0.17 114.58 127.70 3h2l h GLU 341 Ca 0.08 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3h2l h GLU 341 Cb 0.88 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3h2l h GLU 341 CO 0.08 0.37 -0.00 0.00 -1.00 0.00 0.00 179.01 178.46 3h2l h ALA 342 N 1.20 -0.00 -0.85 3.43 0.00 -0.81 -0.79 119.26 121.44 3h2l h ALA 342 Ca 0.18 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.11 3h2l h ALA 342 Cb -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 3h2l h ALA 342 CO -0.07 -0.42 0.49 0.52 0.00 0.00 0.00 179.25 179.77 3h2l h MET 343 N -0.16 0.80 -0.71 0.00 2.86 -1.01 -1.41 114.93 115.32 3h2l h MET 343 Ca -0.00 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3h2l h MET 343 Cb 0.16 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 3h2l h MET 343 CO 0.00 0.53 0.38 1.15 1.06 0.00 0.00 176.91 180.04 3h2l h THR 344 N 0.83 1.22 -0.13 2.22 2.02 -0.64 0.13 112.91 118.55 3h2l h THR 344 Ca 0.41 -0.55 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 3h2l h THR 344 Cb 0.36 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 3h2l h THR 344 CO -0.24 0.24 -0.05 0.03 0.37 0.00 0.00 175.52 175.86 3h2l h ARG 345 N 0.97 0.19 -0.01 6.66 3.08 -0.20 -0.53 114.38 124.54 3h2l h ARG 345 Ca 0.25 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.27 3h2l h ARG 345 Cb 0.04 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3h2l h ARG 345 CO -0.04 0.26 -0.00 0.66 -1.07 0.00 0.00 179.97 179.77 3h2l n TYR 346 N -4.37 0.00 -2.12 3.04 4.01 -0.62 -0.75 117.16 116.35 3h2l n TYR 346 Ca -0.01 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.68 3h2l n TYR 346 Cb 0.19 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.24 3h2l n TYR 346 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3h2l n SER 347 N -0.56 -3.42 -2.88 7.72 2.88 -0.21 -4.89 113.62 112.26 3h2l n SER 347 Ca 0.22 -0.23 -0.12 0.00 -1.33 0.00 0.00 58.87 57.40 3h2l n SER 347 Cb 0.21 -2.07 0.03 0.00 -0.75 0.00 0.00 64.21 61.62 3h2l n SER 347 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h2l n ALA 348 N -2.07 -0.17 -1.42 -1.46 0.00 0.38 -4.64 120.51 111.13 3h2l n ALA 348 Ca -0.03 -2.01 -0.32 0.00 0.00 0.00 0.00 53.44 51.08 3h2l n ALA 348 Cb 0.54 -1.15 0.06 0.00 0.00 0.00 0.00 19.45 18.90 3h2l n ALA 348 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3h2l s PRO 349 N -0.08 2.60 0.62 0.00 0.04 -1.26 -3.97 135.00 132.95 3h2l s PRO 349 Ca 0.31 1.28 -0.08 0.00 0.04 0.00 0.00 61.00 62.55 3h2l s PRO 349 Cb 0.24 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.85 3h2l s PRO 349 CO -0.16 -1.39 0.97 -1.25 0.04 0.00 0.00 177.00 175.21 3h2l s PRO 350 N -4.45 3.04 0.00 0.56 0.04 -1.26 -1.09 135.00 131.84 3h2l s PRO 350 Ca 0.64 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.95 3h2l s PRO 350 Cb -0.19 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.18 3h2l s PRO 350 CO 0.48 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 177.17 3h2l n GLY 351 N -2.72 1.05 3.72 0.56 0.00 0.18 -4.14 105.19 103.85 3h2l n GLY 351 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3h2l n GLY 351 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h2l s ASP 352 N -1.00 7.41 0.44 1.61 -0.00 -1.26 -4.97 116.67 118.90 3h2l s ASP 352 Ca 0.00 1.69 -0.26 0.00 -0.00 0.00 0.00 52.55 53.98 3h2l s ASP 352 Cb 0.00 -2.56 -0.09 0.00 -0.00 0.00 0.00 42.92 40.27 3h2l s ASP 352 CO 0.00 -0.12 1.45 -2.16 -0.00 0.00 0.00 175.17 174.34 3h2l s PRO 353 N 0.35 3.75 0.51 8.23 0.04 -1.26 -4.51 135.00 142.10 3h2l s PRO 353 Ca 0.47 2.48 -0.20 0.00 0.04 0.00 0.00 61.00 63.79 3h2l s PRO 353 Cb -0.22 -2.71 -0.07 0.00 0.04 0.00 0.00 34.50 31.54 3h2l s PRO 353 CO 0.28 -0.79 1.09 -1.25 0.04 0.00 0.00 177.00 176.37 3h2l s PRO 354 N -2.40 3.61 -0.04 0.56 0.04 -1.26 -5.02 135.00 130.49 3h2l s PRO 354 Ca 0.60 1.50 0.07 0.00 0.04 0.00 0.00 61.00 63.21 3h2l s PRO 354 Cb -0.45 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 31.99 3h2l s PRO 354 CO 0.58 -0.62 -0.24 -0.65 0.04 0.00 0.00 177.00 176.12 3h2l s GLN 355 N -3.20 2.23 0.29 4.56 -1.52 -1.26 -5.00 119.66 115.76 3h2l s GLN 355 Ca 0.69 -0.87 -0.29 0.00 -1.95 0.00 0.00 55.36 52.94 3h2l s GLN 355 Cb -0.21 -2.01 -0.10 0.00 -0.22 0.00 0.00 33.01 30.48 3h2l s GLN 355 CO 0.24 0.44 1.41 -2.14 -0.25 0.00 0.00 175.29 174.99 3h2l s PRO 356 N -0.35 4.28 -0.02 2.91 0.02 -1.26 -4.57 135.00 136.00 3h2l s PRO 356 Ca 0.03 2.31 0.07 0.00 0.02 0.00 0.00 61.00 63.42 3h2l s PRO 356 Cb -0.12 -3.08 -0.02 0.00 0.02 0.00 0.00 34.50 31.31 3h2l s PRO 356 CO 0.01 -0.37 -0.22 -1.21 -0.33 0.00 0.00 177.00 174.89 3h2l s GLU 357 N -0.95 1.85 0.00 5.54 0.41 0.12 -4.95 118.70 120.73 3h2l s GLU 357 Ca 0.56 -0.78 0.13 0.00 -0.41 0.00 0.00 54.97 54.46 3h2l s GLU 357 Cb -0.42 -1.75 0.02 0.00 -1.78 0.00 0.00 34.13 30.20 3h2l s GLU 357 CO 0.48 0.45 0.78 0.66 -0.49 0.00 0.00 175.26 177.14 3h2l n TYR 358 N 2.62 0.00 -4.09 1.61 4.01 -1.26 -0.94 117.16 119.11 3h2l n TYR 358 Ca -0.16 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.26 3h2l n TYR 358 Cb 0.52 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.39 3h2l n TYR 358 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3h2l s ASP 359 N -1.51 3.27 0.42 7.72 2.15 -1.26 -4.96 116.67 122.50 3h2l s ASP 359 Ca 0.12 -0.75 0.19 0.00 0.43 0.00 0.00 52.55 52.54 3h2l s ASP 359 Cb 0.11 -1.42 1.12 0.00 -0.30 0.00 0.00 42.92 42.42 3h2l s ASP 359 CO 0.29 -0.05 1.82 0.25 -0.17 0.00 0.00 175.17 177.31 3h2l h LEU 360 N 7.94 0.40 0.00 -1.34 5.85 -1.96 -0.28 115.31 125.91 3h2l h LEU 360 Ca -0.40 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.38 3h2l h LEU 360 Cb 1.12 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.14 3h2l h LEU 360 CO 0.58 0.12 0.00 -0.62 -0.34 0.00 0.00 178.44 178.19 3h2l n GLU 361 N -4.54 0.15 0.00 1.25 1.02 -1.26 -1.91 120.64 115.35 3h2l n GLU 361 Ca 0.22 0.13 0.12 0.00 -0.02 0.00 0.00 57.16 57.60 3h2l n GLU 361 Cb 0.81 -1.50 0.13 0.00 -0.02 0.00 0.00 31.44 30.86 3h2l n GLU 361 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3h2l n LEU 362 N -1.39 1.24 -4.64 -4.62 4.77 -0.12 -4.63 117.00 107.62 3h2l n LEU 362 Ca 0.07 -0.42 -0.41 0.00 -0.03 0.00 0.00 56.01 55.23 3h2l n LEU 362 Cb 0.19 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 3h2l n LEU 362 CO 0.17 0.25 0.43 -0.63 -1.33 0.00 0.00 177.39 176.27 3h2l s ILE 363 N -2.68 4.97 -0.23 -0.08 1.01 -0.80 -5.05 121.20 118.34 3h2l s ILE 363 Ca 0.17 1.21 -0.12 0.00 0.00 0.00 0.00 60.65 61.91 3h2l s ILE 363 Cb 0.18 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 38.64 3h2l s ILE 363 CO 0.64 0.04 0.23 -0.89 0.00 0.00 0.00 174.94 174.96 3h2l s THR 364 N 2.39 5.31 -0.08 2.92 2.01 -1.26 -4.26 115.64 122.67 3h2l s THR 364 Ca 0.28 0.34 -0.08 0.00 0.31 0.00 0.00 61.69 62.53 3h2l s THR 364 Cb -0.16 -3.57 0.02 0.00 0.01 0.00 0.00 72.50 68.81 3h2l s THR 364 CO 0.09 0.31 0.23 -0.94 -0.69 0.00 0.00 174.62 173.62 3h2l s SER 365 N 1.09 -0.22 -1.56 3.53 1.04 0.75 -4.68 113.70 113.65 3h2l s SER 365 Ca 0.11 0.40 -0.12 0.00 0.48 0.00 0.00 55.95 56.82 3h2l s SER 365 Cb -0.14 0.45 0.09 0.00 0.10 0.00 0.00 66.02 66.52 3h2l s SER 365 CO 0.06 -0.12 0.75 0.00 0.98 0.00 0.00 173.24 174.91 3h2l n SER 367 N -2.81 -5.58 -4.22 0.00 7.64 -1.26 -4.94 113.62 102.44 3h2l n SER 367 Ca -0.05 0.29 -0.17 0.00 1.01 0.00 0.00 58.87 59.94 3h2l n SER 367 Cb 0.56 -4.11 -0.11 0.00 -1.01 0.00 0.00 64.21 59.54 3h2l n SER 367 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3h2l s SER 368 N -2.46 1.84 0.04 6.43 0.01 -0.49 -4.63 113.70 114.43 3h2l s SER 368 Ca 0.00 -0.78 0.05 0.00 1.31 0.00 0.00 55.95 56.53 3h2l s SER 368 Cb 0.00 -0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 3h2l s SER 368 CO 0.00 -0.16 -0.15 0.54 0.41 0.00 0.00 173.24 173.89 3h2l s ASN 369 N -2.35 1.73 0.32 2.44 4.22 0.31 -0.18 114.94 121.43 3h2l s ASN 369 Ca 0.07 -0.46 -0.29 0.00 -2.14 0.00 0.00 52.86 50.04 3h2l s ASN 369 Cb -0.05 -0.11 -0.10 0.00 1.28 0.00 0.00 41.25 42.26 3h2l s ASN 369 CO 0.02 0.04 1.23 -0.69 -2.04 0.00 0.00 177.10 175.67 3h2l s VAL 370 N -0.85 2.97 0.22 3.54 1.01 -1.26 -1.20 120.40 124.84 3h2l s VAL 370 Ca 0.02 0.97 -0.06 0.00 0.00 0.00 0.00 61.98 62.91 3h2l s VAL 370 Cb -0.08 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 3h2l s VAL 370 CO 0.01 0.23 0.28 -0.55 0.00 0.00 0.00 175.10 175.07 3h2l s SER 371 N -0.64 0.05 -0.00 3.32 0.15 0.59 -4.30 113.70 112.86 3h2l s SER 371 Ca 0.48 -1.19 0.07 0.00 0.70 0.00 0.00 55.95 56.01 3h2l s SER 371 Cb -0.37 0.47 -0.02 0.00 -1.71 0.00 0.00 66.02 64.39 3h2l s SER 371 CO 0.49 -0.97 -0.23 0.54 1.20 0.00 0.00 173.24 174.26 3h2l s VAL 372 N -4.09 1.85 0.11 4.45 0.11 -1.26 -1.27 120.40 120.29 3h2l s VAL 372 Ca 0.32 -1.06 0.02 0.00 -2.93 0.00 0.00 61.98 58.33 3h2l s VAL 372 Cb 0.04 -1.55 -0.01 0.00 -1.53 0.00 0.00 36.38 33.33 3h2l s VAL 372 CO 0.11 0.46 0.09 0.00 -3.33 0.00 0.00 175.10 172.44 3h2l n ALA 373 N 2.35 0.22 -2.53 1.54 0.00 -0.37 -3.55 120.51 118.17 3h2l n ALA 373 Ca -0.16 -0.62 -0.24 0.00 0.00 0.00 0.00 53.44 52.42 3h2l n ALA 373 Cb 0.52 0.50 -0.15 0.00 0.00 0.00 0.00 19.45 20.32 3h2l n ALA 373 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3h2l s HIS 374 N -2.50 1.45 0.00 0.00 3.76 -0.27 -0.54 115.29 117.20 3h2l s HIS 374 Ca 0.13 -0.29 0.00 0.00 -0.15 0.00 0.00 55.06 54.75 3h2l s HIS 374 Cb 0.01 -0.92 0.00 0.00 1.11 0.00 0.00 32.58 32.77 3h2l s HIS 374 CO 0.09 -0.01 0.00 -0.40 -0.85 0.00 0.00 174.74 173.57 3h2l n ASP 375 N 2.55 0.00 0.10 1.40 3.85 -0.65 -0.23 116.55 123.57 3h2l n ASP 375 Ca -0.15 -0.11 0.02 0.00 -0.71 0.00 0.00 54.79 53.84 3h2l n ASP 375 Cb 0.54 0.00 0.36 0.00 -1.35 0.00 0.00 41.12 40.67 3h2l n ASP 375 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3h2l h ALA 376 N -1.68 1.44 -0.01 2.12 0.00 -1.91 -2.70 119.26 116.53 3h2l h ALA 376 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3h2l h ALA 376 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3h2l h ALA 376 CO 0.00 0.39 -0.10 0.43 0.00 0.00 0.00 179.25 179.97 3h2l n SER 377 N -4.24 0.75 0.00 0.00 7.64 -1.26 -4.89 113.62 111.61 3h2l n SER 377 Ca -0.01 -0.90 0.00 0.00 1.01 0.00 0.00 58.87 58.97 3h2l n SER 377 Cb 0.29 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 3h2l n SER 377 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h2l n GLY 378 N 1.23 0.78 3.77 0.23 0.00 -1.02 -5.03 105.19 105.14 3h2l n GLY 378 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3h2l n GLY 378 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h2l s LYS 379 N -0.14 4.28 0.22 1.61 2.20 -1.26 -4.72 119.74 121.94 3h2l s LYS 379 Ca 0.00 1.82 -0.30 0.00 -0.36 0.00 0.00 55.97 57.13 3h2l s LYS 379 Cb 0.00 -2.85 -0.09 0.00 -1.51 0.00 0.00 37.83 33.38 3h2l s LYS 379 CO 0.00 -0.11 1.25 1.03 -0.36 0.00 0.00 175.35 177.15 3h2l s ARG 380 N -2.01 4.45 -0.06 4.03 0.52 -1.26 -1.63 118.95 122.98 3h2l s ARG 380 Ca 0.52 1.98 0.00 0.00 -0.52 0.00 0.00 55.73 57.72 3h2l s ARG 380 Cb -0.31 -3.19 0.02 0.00 0.52 0.00 0.00 34.95 31.99 3h2l s ARG 380 CO 0.39 -0.14 -0.03 0.08 0.02 0.00 0.00 175.30 175.62 3h2l s VAL 381 N -0.25 0.54 0.16 3.52 1.01 0.30 -4.90 120.40 120.77 3h2l s VAL 381 Ca 0.53 -0.06 -0.16 0.00 0.00 0.00 0.00 61.98 62.28 3h2l s VAL 381 Cb -0.35 -0.60 -0.07 0.00 0.00 0.00 0.00 36.38 35.36 3h2l s VAL 381 CO 0.40 0.25 0.60 -0.31 0.00 0.00 0.00 175.10 176.04 3h2l s TYR 382 N 1.32 3.64 0.15 5.22 2.02 -1.26 -1.23 117.35 127.21 3h2l s TYR 382 Ca -0.05 1.18 -0.16 0.00 -0.37 0.00 0.00 57.07 57.68 3h2l s TYR 382 Cb -0.14 -2.46 0.03 0.00 -0.40 0.00 0.00 41.96 39.00 3h2l s TYR 382 CO -0.02 0.42 0.43 1.52 -1.57 0.00 0.00 175.55 176.33 3h2l s TYR 383 N -1.44 -0.15 -0.18 2.71 1.13 -0.40 -4.98 117.35 114.05 3h2l s TYR 383 Ca 0.38 -0.18 -0.10 0.00 -1.41 0.00 0.00 57.07 55.76 3h2l s TYR 383 Cb -0.16 0.28 -0.05 0.00 -1.10 0.00 0.00 41.96 40.93 3h2l s TYR 383 CO 0.20 -0.76 0.16 -0.51 -2.51 0.00 0.00 175.55 172.13 3h2l s LEU 384 N -2.83 4.25 0.00 -3.49 1.43 -1.26 -0.30 118.68 116.47 3h2l s LEU 384 Ca 0.05 0.32 0.06 0.00 -1.03 0.00 0.00 54.13 53.54 3h2l s LEU 384 Cb 0.01 -2.14 -0.02 0.00 0.03 0.00 0.00 46.19 44.07 3h2l s LEU 384 CO -0.09 0.21 0.23 1.07 0.23 0.00 0.00 176.35 178.00 3h2l n THR 385 N 3.26 0.00 -3.89 5.49 5.66 -0.34 -4.78 114.28 119.67 3h2l n THR 385 Ca -0.16 -2.48 -0.08 0.00 -3.05 0.00 0.00 64.05 58.28 3h2l n THR 385 Cb 0.52 1.08 -0.03 0.00 -1.55 0.00 0.00 70.33 70.36 3h2l n THR 385 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3h2l s ARG 386 N -3.49 1.71 0.08 1.09 1.70 -1.26 -0.53 118.95 118.25 3h2l s ARG 386 Ca 0.32 -1.05 -0.31 0.00 -0.47 0.00 0.00 55.73 54.22 3h2l s ARG 386 Cb 0.02 0.57 -0.10 0.00 -0.57 0.00 0.00 34.95 34.87 3h2l s ARG 386 CO 0.23 -0.77 1.90 0.34 -1.08 0.00 0.00 175.30 175.92 3h2l s ASP 387 N -2.94 6.44 0.00 -2.89 -1.08 -1.26 -4.88 116.67 110.05 3h2l s ASP 387 Ca 0.14 2.71 0.08 0.00 -0.52 0.00 0.00 52.55 54.96 3h2l s ASP 387 Cb -0.04 -2.55 0.46 0.00 -1.46 0.00 0.00 42.92 39.33 3h2l s ASP 387 CO 0.07 -1.03 1.29 -0.81 0.52 0.00 0.00 175.17 175.21 3h2l n PRO 388 N 6.60 0.99 0.25 4.34 -0.04 -1.26 -4.36 135.00 141.52 3h2l n PRO 388 Ca 0.19 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.49 3h2l n PRO 388 Cb 0.40 -1.12 -0.08 0.00 -0.04 0.00 0.00 33.50 32.66 3h2l n PRO 388 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3h2l h THR 389 N 0.00 0.31 -0.17 0.52 2.02 -1.95 -1.21 112.91 112.44 3h2l h THR 389 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3h2l h THR 389 Cb 0.00 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 3h2l h THR 389 CO 0.00 0.00 0.05 0.74 0.37 0.00 0.00 175.52 176.68 3h2l h THR 390 N -0.74 1.19 -0.90 3.16 2.02 -1.95 -0.11 112.91 115.59 3h2l h THR 390 Ca -0.03 -0.60 0.22 0.00 0.77 0.00 0.00 66.41 66.76 3h2l h THR 390 Cb 0.65 1.28 -0.12 0.00 -1.74 0.00 0.00 68.15 68.21 3h2l h THR 390 CO -0.02 0.18 0.41 -0.65 0.37 0.00 0.00 175.52 175.81 3h2l h PRO 391 N 0.08 0.42 0.02 6.66 0.11 -1.82 -0.31 132.00 137.16 3h2l h PRO 391 Ca 0.05 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 65.92 3h2l h PRO 391 Cb 0.24 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 3h2l h PRO 391 CO -0.00 0.27 -0.96 -0.07 -0.21 0.00 0.00 178.00 177.04 3h2l h LEU 392 N 0.43 0.25 -0.44 2.35 3.38 -0.89 -1.15 115.31 119.24 3h2l h LEU 392 Ca 0.56 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 3h2l h LEU 392 Cb 1.04 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 3h2l h LEU 392 CO -0.51 1.07 0.19 0.00 0.09 0.00 0.00 178.44 179.28 3h2l h ALA 393 N 0.90 0.57 -0.44 1.53 0.00 -0.46 -1.11 119.26 120.26 3h2l h ALA 393 Ca -0.06 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 3h2l h ALA 393 Cb 1.62 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 3h2l h ALA 393 CO 0.15 0.16 -0.17 0.00 0.00 0.00 0.00 179.25 179.38 3h2l h ARG 394 N 0.57 0.89 -0.92 0.00 3.08 -1.01 -2.25 114.38 114.73 3h2l h ARG 394 Ca 0.15 -0.37 0.03 0.00 0.07 0.00 0.00 59.98 59.86 3h2l h ARG 394 Cb 0.16 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.12 3h2l h ARG 394 CO -0.02 1.02 0.60 0.00 -1.07 0.00 0.00 179.97 180.51 3h2l h ALA 395 N 0.84 1.21 -0.47 0.04 0.00 -1.15 -0.71 119.26 119.04 3h2l h ALA 395 Ca 0.10 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3h2l h ALA 395 Cb 0.73 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3h2l h ALA 395 CO 0.06 0.49 0.30 0.00 0.00 0.00 0.00 179.25 180.10 3h2l h ALA 396 N 1.37 0.59 -0.83 0.00 0.00 -0.94 -1.09 119.26 118.36 3h2l h ALA 396 Ca 0.36 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 3h2l h ALA 396 Cb -0.03 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3h2l h ALA 396 CO -0.11 0.03 0.48 2.35 0.00 0.00 0.00 179.25 181.99 3h2l h TRP 397 N 0.62 1.12 0.00 0.00 2.91 -0.88 -2.79 115.95 116.92 3h2l h TRP 397 Ca 0.17 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.18 3h2l h TRP 397 Cb -0.06 -0.36 0.00 0.00 -0.51 0.00 0.00 29.16 28.23 3h2l h TRP 397 CO -0.05 0.76 0.00 0.39 -1.03 0.00 0.00 178.44 178.52 3h2l n GLU 398 N -4.42 0.17 0.16 2.65 1.02 -0.32 -1.16 120.64 118.74 3h2l n GLU 398 Ca 0.08 0.22 0.02 0.00 -0.02 0.00 0.00 57.16 57.46 3h2l n GLU 398 Cb 0.08 -1.72 0.27 0.00 -0.02 0.00 0.00 31.44 30.04 3h2l n GLU 398 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3h2l h THR 399 N 0.00 1.24 0.00 2.62 2.02 -0.92 -3.33 112.91 114.54 3h2l h THR 399 Ca 0.00 -1.74 0.00 0.00 0.77 0.00 0.00 66.41 65.44 3h2l h THR 399 Cb 0.56 1.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 3h2l h THR 399 CO 0.00 0.48 -1.45 0.00 0.37 0.00 0.00 175.52 174.92 3h2l n ALA 400 N -2.39 2.37 -3.04 6.16 0.00 -1.00 -4.88 120.51 117.72 3h2l n ALA 400 Ca -0.01 -0.23 -0.23 0.00 0.00 0.00 0.00 53.44 52.97 3h2l n ALA 400 Cb 0.53 -0.34 -0.16 0.00 0.00 0.00 0.00 19.45 19.49 3h2l n ALA 400 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h2l s ARG 401 N -2.68 1.28 0.10 0.00 1.81 -0.31 -4.93 118.95 114.22 3h2l s ARG 401 Ca -0.04 -0.41 -0.30 0.00 -1.72 0.00 0.00 55.73 53.27 3h2l s ARG 401 Cb 0.06 -1.15 -0.06 0.00 -0.45 0.00 0.00 34.95 33.35 3h2l s ARG 401 CO 0.41 0.14 1.13 -1.01 -0.68 0.00 0.00 175.30 175.29 3h2l s HIS 402 N 0.20 3.53 0.18 -0.53 3.76 -1.26 -4.25 115.29 116.91 3h2l s HIS 402 Ca -0.04 1.48 0.10 0.00 -0.15 0.00 0.00 55.06 56.44 3h2l s HIS 402 Cb -0.10 -3.32 -0.04 0.00 1.11 0.00 0.00 32.58 30.22 3h2l s HIS 402 CO 0.01 -0.83 -0.21 0.95 -0.85 0.00 0.00 174.74 173.81 3h2l s THR 403 N 0.51 2.08 0.46 1.30 -4.23 -1.26 -5.05 115.64 109.45 3h2l s THR 403 Ca 0.54 -1.96 0.17 0.00 -1.18 0.00 0.00 61.69 59.26 3h2l s THR 403 Cb -0.28 -1.97 0.21 0.00 1.34 0.00 0.00 72.50 71.80 3h2l s THR 403 CO 0.31 -0.21 2.03 1.55 -0.54 0.00 0.00 174.62 177.76 3h2l h PRO 404 N 3.25 0.00 -5.30 3.99 0.13 -1.96 -3.40 132.00 128.70 3h2l h PRO 404 Ca -0.44 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.01 3h2l h PRO 404 Cb 1.21 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.01 3h2l h PRO 404 CO 0.49 0.15 -0.87 0.08 -0.23 0.00 0.00 178.00 177.62 3h2l s VAL 405 N -4.63 2.13 -0.84 1.56 1.01 -1.26 -4.68 120.40 113.69 3h2l s VAL 405 Ca -0.04 -0.98 -0.18 0.00 0.00 0.00 0.00 61.98 60.78 3h2l s VAL 405 Cb 0.15 -1.83 0.14 0.00 0.00 0.00 0.00 36.38 34.85 3h2l s VAL 405 CO 0.67 0.55 0.98 0.20 0.00 0.00 0.00 175.10 177.51 3h2l s ASN 406 N 0.46 6.56 0.34 3.32 0.01 -0.75 -4.89 114.94 119.99 3h2l s ASN 406 Ca -0.15 -2.01 0.06 0.00 -0.71 0.00 0.00 52.86 50.05 3h2l s ASN 406 Cb -0.17 -2.35 0.73 0.00 0.41 0.00 0.00 41.25 39.87 3h2l s ASN 406 CO 0.06 -1.00 1.88 0.77 -1.51 0.00 0.00 177.10 177.31 3h2l h SER 407 N 8.72 0.73 -0.88 -1.22 4.64 -1.93 -1.97 113.55 121.64 3h2l h SER 407 Ca 0.05 0.03 0.07 0.00 -0.47 0.00 0.00 61.79 61.47 3h2l h SER 407 Cb 1.04 -0.12 -0.06 0.00 -0.31 0.00 0.00 62.40 62.95 3h2l h SER 407 CO 1.04 0.40 0.55 4.11 -0.87 0.00 0.00 176.83 182.05 3h2l h TRP 408 N 0.79 1.01 -0.27 4.77 5.08 -1.90 0.12 115.95 125.54 3h2l h TRP 408 Ca 0.43 0.03 -0.14 0.00 1.08 0.00 0.00 58.89 60.29 3h2l h TRP 408 Cb 0.55 -0.32 -0.00 0.00 -3.00 0.00 0.00 29.16 26.38 3h2l h TRP 408 CO -0.00 0.49 -0.37 1.25 -1.28 0.00 0.00 178.44 178.54 3h2l h LEU 409 N 0.98 0.78 -1.02 0.11 5.85 -1.75 -1.12 115.31 119.14 3h2l h LEU 409 Ca 0.39 -0.50 0.02 0.00 0.84 0.00 0.00 57.88 58.62 3h2l h LEU 409 Cb 0.21 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 3h2l h LEU 409 CO -0.19 1.13 0.66 1.23 -0.34 0.00 0.00 178.44 180.94 3h2l h GLY 410 N 0.46 1.42 1.29 3.75 0.00 -1.12 -1.88 103.07 106.97 3h2l h GLY 410 Ca 0.03 -0.52 -0.16 0.00 0.00 0.00 0.00 47.33 46.68 3h2l h GLY 410 CO 0.09 0.49 -0.45 3.43 0.00 0.00 0.00 176.54 180.09 3h2l h ASN 411 N 1.33 0.83 -0.77 0.19 2.35 -0.62 -1.48 115.58 117.42 3h2l h ASN 411 Ca 0.37 -0.40 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 3h2l h ASN 411 Cb -0.11 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 37.99 3h2l h ASN 411 CO -0.09 1.16 0.33 0.40 -1.65 0.00 0.00 177.43 177.58 3h2l h ILE 412 N 0.62 1.25 -0.14 2.81 2.04 -1.01 0.16 117.51 123.23 3h2l h ILE 412 Ca 0.04 -0.76 -0.02 0.00 1.00 0.00 0.00 64.86 65.11 3h2l h ILE 412 Cb 1.02 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3h2l h ILE 412 CO 0.10 0.31 -0.01 0.40 0.00 0.00 0.00 178.15 178.96 3h2l h ILE 413 N 1.10 1.26 0.00 -0.67 2.04 -1.16 -1.24 117.51 118.84 3h2l h ILE 413 Ca 0.26 -0.85 -0.10 0.00 1.00 0.00 0.00 64.86 65.17 3h2l h ILE 413 Cb 0.17 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.79 3h2l h ILE 413 CO -0.03 0.25 -0.70 0.24 0.00 0.00 0.00 178.15 177.91 3h2l h MET 414 N -0.02 0.00 -0.09 2.37 2.86 -1.25 -3.34 114.93 115.47 3h2l h MET 414 Ca 0.04 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 3h2l h MET 414 Cb 0.38 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 3h2l h MET 414 CO 0.01 0.34 -0.19 0.66 1.06 0.00 0.00 176.91 178.79 3h2l n TYR 415 N -3.08 0.29 -0.30 -0.22 4.01 0.54 -4.84 117.16 113.57 3h2l n TYR 415 Ca -0.01 -1.26 0.13 0.00 -0.16 0.00 0.00 57.90 56.61 3h2l n TYR 415 Cb 0.72 -0.26 0.30 0.00 -0.31 0.00 0.00 39.34 39.78 3h2l n TYR 415 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3h2l h ALA 416 N 0.73 1.32 0.00 -0.72 0.00 -1.34 0.13 119.26 119.38 3h2l h ALA 416 Ca 0.04 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3h2l h ALA 416 Cb 1.16 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3h2l h ALA 416 CO 0.09 -0.46 0.00 -2.30 0.00 0.00 0.00 179.25 176.58 3h2l n PRO 417 N -5.20 0.15 -2.33 0.00 -0.02 -1.26 -4.38 135.00 121.96 3h2l n PRO 417 Ca 0.22 0.13 -0.33 0.00 -2.02 0.00 0.00 63.50 61.50 3h2l n PRO 417 Cb 0.69 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.65 3h2l n PRO 417 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3h2l s THR 418 N -2.76 4.08 0.21 3.45 -4.23 0.03 -4.93 115.64 111.49 3h2l s THR 418 Ca 0.14 1.08 -0.08 0.00 -1.18 0.00 0.00 61.69 61.65 3h2l s THR 418 Cb 0.13 -3.52 0.15 0.00 1.34 0.00 0.00 72.50 70.59 3h2l s THR 418 CO 0.32 -0.49 1.77 0.25 -0.54 0.00 0.00 174.62 175.94 3h2l h LEU 419 N 0.96 1.06 -0.14 4.79 5.85 -1.89 -2.38 115.31 123.57 3h2l h LEU 419 Ca -0.48 -0.17 -0.23 0.00 0.84 0.00 0.00 57.88 57.85 3h2l h LEU 419 Cb 1.21 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.96 3h2l h LEU 419 CO 0.59 0.94 -0.99 4.11 -0.34 0.00 0.00 178.44 182.75 3h2l h TRP 420 N 1.11 0.45 -0.20 1.25 5.08 -1.92 -0.86 115.95 120.87 3h2l h TRP 420 Ca 0.26 -0.27 -0.18 0.00 1.08 0.00 0.00 58.89 59.78 3h2l h TRP 420 Cb 0.21 -0.04 0.00 0.00 -3.00 0.00 0.00 29.16 26.33 3h2l h TRP 420 CO 0.02 1.11 -0.57 0.00 -1.28 0.00 0.00 178.44 177.72 3h2l h ALA 421 N 0.79 0.33 0.21 0.11 0.00 -1.79 -1.48 119.26 117.43 3h2l h ALA 421 Ca -0.08 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 3h2l h ALA 421 Cb 1.65 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3h2l h ALA 421 CO 0.16 0.57 -0.10 0.00 0.00 0.00 0.00 179.25 179.88 3h2l h ARG 422 N 0.45 -0.27 -0.04 0.00 3.08 -1.49 -0.21 114.38 115.91 3h2l h ARG 422 Ca -0.02 0.02 -0.21 0.00 0.07 0.00 0.00 59.98 59.85 3h2l h ARG 422 Cb 1.19 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.30 3h2l h ARG 422 CO 0.12 0.05 -0.85 0.52 -1.07 0.00 0.00 179.97 178.74 3h2l h MET 423 N -0.60 0.40 0.00 0.04 2.86 -1.23 -3.35 114.93 113.05 3h2l h MET 423 Ca -0.03 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 3h2l h MET 423 Cb 0.44 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.20 3h2l h MET 423 CO 0.05 1.04 -0.53 -0.89 1.06 0.00 0.00 176.91 177.64 3h2l n ILE 424 N -3.78 1.02 -0.14 -1.22 5.41 -0.57 -4.27 119.36 115.82 3h2l n ILE 424 Ca -0.05 0.26 -0.08 0.00 1.00 0.00 0.00 62.75 63.87 3h2l n ILE 424 Cb 0.78 -1.93 0.00 0.00 -0.71 0.00 0.00 39.64 37.77 3h2l n ILE 424 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3h2l h LEU 425 N -0.53 0.51 -0.42 1.39 3.38 -1.33 -0.79 115.31 117.52 3h2l h LEU 425 Ca 0.00 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3h2l h LEU 425 Cb 0.53 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3h2l h LEU 425 CO 0.00 0.45 0.19 0.24 0.09 0.00 0.00 178.44 179.41 3h2l h MET 426 N 0.54 0.60 -0.30 1.13 2.86 -1.17 -2.26 114.93 116.33 3h2l h MET 426 Ca 0.15 -0.09 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 3h2l h MET 426 Cb 0.04 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 3h2l h MET 426 CO -0.02 0.53 0.04 1.15 1.06 0.00 0.00 176.91 179.67 3h2l h THR 427 N 0.53 1.24 0.02 2.22 2.02 -1.64 -2.24 112.91 115.06 3h2l h THR 427 Ca 0.14 -0.82 -0.00 0.00 0.77 0.00 0.00 66.41 66.50 3h2l h THR 427 Cb 0.13 1.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 3h2l h THR 427 CO -0.02 0.27 -0.01 -0.74 0.37 0.00 0.00 175.52 175.39 3h2l h HIS 428 N 0.33 -0.03 0.03 3.16 6.17 -1.14 -2.68 115.15 120.98 3h2l h HIS 428 Ca 0.09 -0.00 -0.22 0.00 0.71 0.00 0.00 60.37 60.95 3h2l h HIS 428 Cb 0.36 0.01 -0.01 0.00 2.52 0.00 0.00 27.41 30.28 3h2l h HIS 428 CO 0.02 0.46 -0.97 0.74 0.71 0.00 0.00 177.93 178.89 3h2l h PHE 429 N -0.52 0.32 -0.38 5.26 0.04 -1.46 -2.31 116.94 117.89 3h2l h PHE 429 Ca -0.00 -0.19 -0.08 0.00 2.80 0.00 0.00 57.97 60.49 3h2l h PHE 429 Cb 0.50 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 3h2l h PHE 429 CO 0.09 1.05 -0.11 0.74 -0.60 0.00 0.00 178.31 179.49 3h2l h PHE 430 N 0.10 0.71 -0.90 -0.55 0.04 -1.51 -0.89 116.94 113.94 3h2l h PHE 430 Ca -0.06 -0.12 0.01 0.00 2.80 0.00 0.00 57.97 60.60 3h2l h PHE 430 Cb 1.64 -0.19 -0.05 0.00 2.20 0.00 0.00 35.95 39.55 3h2l h PHE 430 CO 0.03 0.74 0.59 1.03 -0.60 0.00 0.00 178.31 180.10 3h2l h SER 431 N 0.60 1.02 -0.33 2.17 0.87 -1.17 -0.53 113.55 116.19 3h2l h SER 431 Ca 0.11 -0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.50 3h2l h SER 431 Cb 0.54 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 3h2l h SER 431 CO 0.03 0.74 -0.36 0.40 -0.53 0.00 0.00 176.83 177.11 3h2l h ILE 432 N 1.21 1.29 -0.60 2.23 2.04 -1.02 -2.34 117.51 120.31 3h2l h ILE 432 Ca 0.33 -1.53 -0.08 0.00 1.00 0.00 0.00 64.86 64.58 3h2l h ILE 432 Cb -0.13 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 3h2l h ILE 432 CO -0.07 0.50 0.06 -0.07 0.00 0.00 0.00 178.15 178.57 3h2l h LEU 433 N 0.60 0.98 0.12 1.44 3.38 -0.89 -2.15 115.31 118.79 3h2l h LEU 433 Ca 0.05 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 3h2l h LEU 433 Cb 0.94 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 3h2l h LEU 433 CO 0.09 1.01 -0.09 -0.07 0.09 0.00 0.00 178.44 179.47 3h2l h LEU 434 N 0.91 -0.22 -1.70 1.67 3.38 -1.10 0.34 115.31 118.59 3h2l h LEU 434 Ca 0.18 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.17 3h2l h LEU 434 Cb 0.47 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 3h2l h LEU 434 CO 0.02 -0.14 0.21 0.00 0.09 0.00 0.00 178.44 178.62 3h2l h ALA 435 N 0.66 1.80 -0.02 1.53 0.00 -1.30 -1.82 119.26 120.11 3h2l h ALA 435 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3h2l h ALA 435 Cb 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3h2l h ALA 435 CO 0.00 0.18 -0.05 1.04 0.00 0.00 0.00 179.25 180.42 3h2l n GLN 436 N -4.49 1.75 -3.91 0.00 1.13 -0.82 -4.95 117.38 106.09 3h2l n GLN 436 Ca 0.02 -1.21 -0.26 0.00 -1.94 0.00 0.00 57.00 53.61 3h2l n GLN 436 Cb 0.08 -1.47 -0.01 0.00 0.11 0.00 0.00 30.24 28.95 3h2l n GLN 436 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3h2l n GLU 437 N 0.43 -3.16 -0.28 -1.09 1.02 -0.56 -4.93 120.64 112.07 3h2l n GLU 437 Ca 0.16 0.42 0.08 0.00 -0.02 0.00 0.00 57.16 57.80 3h2l n GLU 437 Cb 0.43 -4.50 0.17 0.00 -0.02 0.00 0.00 31.44 27.53 3h2l n GLU 437 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3h2l n GLN 438 N -4.38 1.60 -0.25 3.49 6.02 0.11 -4.71 117.38 119.26 3h2l n GLN 438 Ca -0.29 -2.81 0.10 0.00 -0.01 0.00 0.00 57.00 54.00 3h2l n GLN 438 Cb 0.68 -1.59 0.37 0.00 1.02 0.00 0.00 30.24 30.71 3h2l n GLN 438 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3h2l h LEU 439 N 0.51 0.66 -0.05 1.08 3.38 -1.92 -2.59 115.31 116.38 3h2l h LEU 439 Ca 0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3h2l h LEU 439 Cb 1.10 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3h2l h LEU 439 CO 0.05 0.36 0.00 -0.08 0.09 0.00 0.00 178.44 178.87 3h2l h GLU 440 N 0.71 0.00 -6.14 1.13 4.57 -1.95 -3.34 114.58 109.57 3h2l h GLU 440 Ca 0.41 0.00 -0.57 0.00 -1.18 0.00 0.00 59.36 58.02 3h2l h GLU 440 Cb 0.59 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.13 3h2l h GLU 440 CO -0.17 0.00 0.67 0.21 -1.18 0.00 0.00 179.01 178.54 3h2l s LYS 441 N -3.14 4.33 0.24 1.92 2.20 -0.98 -4.93 119.74 119.39 3h2l s LYS 441 Ca 0.09 1.34 -0.31 0.00 -0.36 0.00 0.00 55.97 56.74 3h2l s LYS 441 Cb 0.11 -3.60 -0.11 0.00 -1.51 0.00 0.00 37.83 32.72 3h2l s LYS 441 CO 0.60 -0.48 1.61 0.00 -0.36 0.00 0.00 175.35 176.73 3h2l s ALA 442 N 2.63 3.80 0.01 3.13 0.00 -1.26 -4.44 121.76 125.63 3h2l s ALA 442 Ca 0.45 1.52 0.08 0.00 0.00 0.00 0.00 51.96 54.02 3h2l s ALA 442 Cb -0.16 -3.65 -0.02 0.00 0.00 0.00 0.00 23.12 19.28 3h2l s ALA 442 CO 0.11 -0.91 -0.25 -0.51 0.00 0.00 0.00 175.76 174.20 3h2l s LEU 443 N 0.26 2.11 0.05 0.00 1.43 0.36 -4.85 118.68 118.04 3h2l s LEU 443 Ca 0.67 -0.51 -0.22 0.00 -1.03 0.00 0.00 54.13 53.04 3h2l s LEU 443 Cb -0.47 -1.25 -0.06 0.00 0.03 0.00 0.00 46.19 44.44 3h2l s LEU 443 CO 0.40 0.27 0.67 -1.81 0.23 0.00 0.00 176.35 176.11 3h2l s ASP 444 N -0.90 7.12 0.18 2.29 1.01 -1.26 0.93 116.67 126.04 3h2l s ASP 444 Ca 0.10 1.34 -0.10 0.00 0.71 0.00 0.00 52.55 54.60 3h2l s ASP 444 Cb -0.10 -2.42 -0.01 0.00 1.01 0.00 0.00 42.92 41.41 3h2l s ASP 444 CO 0.01 0.12 0.32 0.00 0.21 0.00 0.00 175.17 175.83 3h2l s GLN 446 N -3.98 3.56 -0.13 0.00 -0.21 -1.26 -0.06 119.66 117.57 3h2l s GLN 446 Ca 0.19 -0.57 -0.00 0.00 0.02 0.00 0.00 55.36 55.00 3h2l s GLN 446 Cb 0.03 -2.82 0.03 0.00 1.00 0.00 0.00 33.01 31.24 3h2l s GLN 446 CO 0.02 0.25 -0.09 0.42 -2.12 0.00 0.00 175.29 173.77 3h2l s ILE 447 N 0.31 1.18 -1.29 1.08 1.01 -0.43 -4.72 121.20 118.34 3h2l s ILE 447 Ca -0.06 -0.43 -0.05 0.00 0.00 0.00 0.00 60.65 60.12 3h2l s ILE 447 Cb -0.15 -1.19 0.03 0.00 0.01 0.00 0.00 42.46 41.16 3h2l s ILE 447 CO 0.04 0.36 0.34 -1.22 0.00 0.00 0.00 174.94 174.45 3h2l n TYR 448 N 4.89 -1.68 0.00 3.97 4.01 -1.26 -2.05 117.16 125.04 3h2l n TYR 448 Ca -0.13 0.31 0.00 0.00 -0.16 0.00 0.00 57.90 57.92 3h2l n TYR 448 Cb 0.50 -3.26 0.00 0.00 -0.31 0.00 0.00 39.34 36.26 3h2l n TYR 448 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h2l n GLY 449 N -1.12 2.92 3.84 2.72 0.00 -1.26 -0.71 105.19 111.56 3h2l n GLY 449 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 3h2l n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2l s ALA 450 N -2.20 3.46 -0.06 4.61 0.00 -0.87 -4.41 121.76 122.29 3h2l s ALA 450 Ca 0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 51.96 51.76 3h2l s ALA 450 Cb 0.00 -2.67 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 3h2l s ALA 450 CO 0.00 0.39 0.57 0.00 0.00 0.00 0.00 175.76 176.71 3h2l s TYR 452 N 0.33 1.81 -0.33 0.00 2.02 0.91 -0.81 117.35 121.28 3h2l s TYR 452 Ca 0.30 -0.35 -0.18 0.00 -0.37 0.00 0.00 57.07 56.47 3h2l s TYR 452 Cb -0.17 -1.14 -0.01 0.00 -0.40 0.00 0.00 41.96 40.24 3h2l s TYR 452 CO 0.14 0.01 0.51 0.45 -1.57 0.00 0.00 175.55 175.09 3h2l s SER 453 N -0.69 6.34 -0.04 2.29 0.15 -1.26 -0.59 113.70 119.90 3h2l s SER 453 Ca 0.08 0.10 0.06 0.00 0.70 0.00 0.00 55.95 56.89 3h2l s SER 453 Cb -0.08 -2.27 -0.02 0.00 -1.71 0.00 0.00 66.02 61.94 3h2l s SER 453 CO -0.00 -0.43 -0.21 -0.63 1.20 0.00 0.00 173.24 173.17 3h2l s ILE 454 N 2.38 2.48 -0.29 6.45 -1.09 0.26 -4.85 121.20 126.54 3h2l s ILE 454 Ca 0.19 -0.94 -0.19 0.00 -2.23 0.00 0.00 60.65 57.48 3h2l s ILE 454 Cb -0.15 -1.92 -0.01 0.00 -1.58 0.00 0.00 42.46 38.79 3h2l s ILE 454 CO 0.12 0.58 0.59 -1.61 -1.23 0.00 0.00 174.94 173.39 3h2l s GLU 455 N -0.55 3.95 0.58 2.79 2.02 -1.26 0.14 118.70 126.37 3h2l s GLU 455 Ca 0.08 0.30 0.29 0.00 0.02 0.00 0.00 54.97 55.65 3h2l s GLU 455 Cb -0.11 -3.70 1.48 0.00 0.10 0.00 0.00 34.13 31.89 3h2l s GLU 455 CO 0.01 -0.50 1.91 -1.35 0.02 0.00 0.00 175.26 175.34 3h2l h PRO 456 N 8.13 0.00 0.00 0.39 0.11 -1.78 0.45 132.00 139.30 3h2l h PRO 456 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3h2l h PRO 456 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3h2l h PRO 456 CO 0.77 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 178.49 3h2l h LEU 457 N 0.00 0.00 -0.91 2.35 3.38 -1.93 -2.52 115.31 115.68 3h2l h LEU 457 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3h2l h LEU 457 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3h2l h LEU 457 CO -0.00 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.00 3h2l n ASP 458 N -2.34 1.41 -0.12 -0.43 10.43 0.15 -4.45 116.55 121.20 3h2l n ASP 458 Ca 0.02 -1.51 -0.04 0.00 2.57 0.00 0.00 54.79 55.83 3h2l n ASP 458 Cb 0.25 -0.02 0.03 0.00 1.84 0.00 0.00 41.12 43.22 3h2l n ASP 458 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3h2l h LEU 459 N 2.13 -0.18 -0.52 0.64 3.38 -1.56 -1.37 115.31 117.83 3h2l h LEU 459 Ca 0.00 0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.16 3h2l h LEU 459 Cb 0.46 0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.30 3h2l h LEU 459 CO 0.00 -0.05 0.06 -0.65 0.09 0.00 0.00 178.44 177.89 3h2l h PRO 460 N 0.10 0.18 -0.48 1.13 0.11 -1.84 0.15 132.00 131.36 3h2l h PRO 460 Ca 0.20 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 3h2l h PRO 460 Cb 0.29 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.33 3h2l h PRO 460 CO -0.34 0.12 0.24 1.96 -0.21 0.00 0.00 178.00 179.77 3h2l h GLN 461 N 0.19 0.68 -0.50 1.05 7.50 -1.82 -1.38 115.11 120.83 3h2l h GLN 461 Ca 0.27 -0.09 0.03 0.00 0.50 0.00 0.00 58.65 59.35 3h2l h GLN 461 Cb 0.39 -0.13 -0.04 0.00 0.05 0.00 0.00 27.48 27.76 3h2l h GLN 461 CO -0.39 0.56 0.29 0.82 -1.50 0.00 0.00 178.83 178.61 3h2l h ILE 462 N 0.63 1.02 -0.41 2.54 2.04 -0.64 -1.79 117.51 120.90 3h2l h ILE 462 Ca 0.17 -0.19 -0.10 0.00 1.00 0.00 0.00 64.86 65.73 3h2l h ILE 462 Cb 0.10 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 3h2l h ILE 462 CO -0.02 0.10 -0.12 0.40 0.00 0.00 0.00 178.15 178.51 3h2l h ILE 463 N 0.57 1.28 -0.30 -0.67 2.04 -0.51 -2.03 117.51 117.88 3h2l h ILE 463 Ca 0.21 -1.22 0.06 0.00 1.00 0.00 0.00 64.86 64.90 3h2l h ILE 463 Cb 0.05 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 37.29 3h2l h ILE 463 CO -0.11 0.41 -0.03 -0.08 0.00 0.00 0.00 178.15 178.34 3h2l h GLU 464 N 0.62 0.05 -0.71 2.37 4.81 -1.04 0.23 114.58 120.92 3h2l h GLU 464 Ca 0.10 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 3h2l h GLU 464 Cb 0.65 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 3h2l h GLU 464 CO 0.04 0.03 0.33 0.00 -0.73 0.00 0.00 179.01 178.69 3h2l h ARG 465 N 0.05 1.01 0.00 1.92 2.47 -1.08 0.11 114.38 118.87 3h2l h ARG 465 Ca 0.15 -0.14 -0.22 0.00 -1.26 0.00 0.00 59.98 58.51 3h2l h ARG 465 Cb 0.21 -0.19 -0.04 0.00 -1.65 0.00 0.00 29.97 28.30 3h2l h ARG 465 CO -0.27 0.78 -1.70 1.28 0.56 0.00 0.00 179.97 180.62 3h2l n LEU 466 N -4.33 0.64 0.00 3.04 4.77 -0.79 -4.55 117.00 115.78 3h2l n LEU 466 Ca 0.07 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 3h2l n LEU 466 Cb 0.14 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3h2l n LEU 466 CO 0.39 0.24 -0.33 1.41 -1.33 0.00 0.00 177.39 177.77 3h2l n HIS 467 N -2.84 0.00 0.00 -1.77 8.25 0.04 -1.67 115.22 117.23 3h2l n HIS 467 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 3h2l n HIS 467 Cb 0.92 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.03 3h2l n HIS 467 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h2l n GLY 468 N 1.80 -0.91 0.27 -1.41 0.00 0.39 -4.56 105.19 100.78 3h2l n GLY 468 Ca 0.00 -1.64 0.14 0.00 0.00 0.00 0.00 46.02 44.52 3h2l n GLY 468 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3h2l h LEU 469 N 0.00 0.00 -2.40 0.99 3.38 -1.88 -2.63 115.31 112.77 3h2l h LEU 469 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3h2l h LEU 469 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3h2l h LEU 469 CO 0.00 0.10 -0.03 0.77 0.09 0.00 0.00 178.44 179.37 3h2l h SER 470 N 0.00 0.00 -0.23 -0.43 4.64 -1.96 -1.59 113.55 113.97 3h2l h SER 470 Ca -0.00 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.39 3h2l h SER 470 Cb 0.38 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 3h2l h SER 470 CO 0.01 0.03 0.26 0.00 -0.87 0.00 0.00 176.83 176.27 3h2l h ALA 471 N 1.97 1.87 -0.02 5.18 0.00 -1.71 0.83 119.26 127.38 3h2l h ALA 471 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h2l h ALA 471 Cb 0.13 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3h2l h ALA 471 CO 0.00 -0.38 -0.04 1.19 0.00 0.00 0.00 179.25 180.02 3h2l n PHE 472 N -3.77 0.00 -0.77 0.00 3.72 -0.60 -4.35 117.46 111.69 3h2l n PHE 472 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 3h2l n PHE 472 Cb 0.39 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 3h2l n PHE 472 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3h2l n SER 473 N 0.44 0.59 -4.77 4.37 7.64 0.22 -4.59 113.62 117.52 3h2l n SER 473 Ca 0.17 -1.35 -0.41 0.00 1.01 0.00 0.00 58.87 58.28 3h2l n SER 473 Cb 0.43 -0.02 -0.02 0.00 -1.01 0.00 0.00 64.21 63.60 3h2l n SER 473 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3h2l s LEU 474 N -0.32 4.40 0.00 -3.43 1.43 -0.82 -4.02 118.68 115.92 3h2l s LEU 474 Ca 0.01 2.77 -0.03 0.00 -1.03 0.00 0.00 54.13 55.85 3h2l s LEU 474 Cb 0.00 -3.65 0.01 0.00 0.03 0.00 0.00 46.19 42.58 3h2l s LEU 474 CO 0.00 -0.62 0.39 0.00 0.23 0.00 0.00 176.35 176.36 3h2l n HIS 475 N 0.79 -1.31 -3.56 0.29 1.44 0.67 -4.94 115.22 108.61 3h2l n HIS 475 Ca 0.00 -1.65 -0.23 0.00 -2.01 0.00 0.00 57.72 53.83 3h2l n HIS 475 Cb 0.41 0.45 0.03 0.00 0.12 0.00 0.00 29.99 31.00 3h2l n HIS 475 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 3h2l n SER 476 N -1.70 -5.81 -4.82 4.39 7.64 -1.26 -1.11 113.62 110.94 3h2l n SER 476 Ca -0.01 -0.81 -0.32 0.00 1.01 0.00 0.00 58.87 58.75 3h2l n SER 476 Cb 0.43 -3.54 0.01 0.00 -1.01 0.00 0.00 64.21 60.10 3h2l n SER 476 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3h2l s TYR 477 N -3.28 3.20 0.37 1.43 2.02 -1.26 -4.11 117.35 115.72 3h2l s TYR 477 Ca 0.30 1.45 -0.27 0.00 -0.37 0.00 0.00 57.07 58.18 3h2l s TYR 477 Cb -0.10 -2.89 -0.09 0.00 -0.40 0.00 0.00 41.96 38.48 3h2l s TYR 477 CO 0.84 -0.94 1.25 -1.54 -1.57 0.00 0.00 175.55 173.59 3h2l s SER 478 N -3.32 6.58 0.37 2.29 1.04 -1.23 -4.83 113.70 114.59 3h2l s SER 478 Ca 0.60 2.54 0.16 0.00 0.48 0.00 0.00 55.95 59.73 3h2l s SER 478 Cb -0.14 -2.63 1.06 0.00 0.10 0.00 0.00 66.02 64.42 3h2l s SER 478 CO 0.43 -0.66 1.73 -0.65 0.98 0.00 0.00 173.24 175.08 3h2l h PRO 479 N 2.95 0.40 -0.22 4.02 0.11 -1.96 -1.04 132.00 136.27 3h2l h PRO 479 Ca -0.49 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 3h2l h PRO 479 Cb 1.23 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3h2l h PRO 479 CO 0.64 0.27 0.05 0.78 -0.21 0.00 0.00 178.00 179.53 3h2l h GLY 480 N 0.42 0.39 0.93 -0.55 0.00 -1.99 -0.24 103.07 102.03 3h2l h GLY 480 Ca 0.65 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.72 3h2l h GLY 480 CO -0.40 0.23 -0.14 -2.09 0.00 0.00 0.00 176.54 174.14 3h2l h GLU 481 N 0.18 -0.38 -0.68 4.80 4.57 -1.76 -1.79 114.58 119.52 3h2l h GLU 481 Ca 0.07 0.03 0.12 0.00 -1.18 0.00 0.00 59.36 58.39 3h2l h GLU 481 Cb 0.27 0.09 -0.08 0.00 -0.16 0.00 0.00 28.75 28.87 3h2l h GLU 481 CO 0.00 -0.20 0.25 0.82 -1.18 0.00 0.00 179.01 178.70 3h2l h ILE 482 N -0.46 0.71 -0.54 2.32 2.04 -1.20 -0.73 117.51 119.65 3h2l h ILE 482 Ca -0.04 -0.14 -0.07 0.00 1.00 0.00 0.00 64.86 65.61 3h2l h ILE 482 Cb 0.35 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 3h2l h ILE 482 CO 0.07 0.08 0.08 0.78 0.00 0.00 0.00 178.15 179.15 3h2l h ASN 483 N 0.42 0.86 -0.57 1.72 2.35 -0.94 -1.04 115.58 118.38 3h2l h ASN 483 Ca 0.36 -0.26 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 3h2l h ASN 483 Cb 0.50 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 3h2l h ASN 483 CO -0.36 0.91 0.19 -0.09 -1.65 0.00 0.00 177.43 176.43 3h2l h ARG 484 N 0.78 0.88 0.42 0.81 2.43 -0.83 0.31 114.38 119.18 3h2l h ARG 484 Ca 0.16 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3h2l h ARG 484 Cb 0.42 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3h2l h ARG 484 CO 0.01 0.79 -0.20 0.28 -1.51 0.00 0.00 179.97 179.34 3h2l h VAL 485 N 0.80 0.59 -0.48 0.20 2.07 -1.04 -1.75 116.25 116.64 3h2l h VAL 485 Ca 0.19 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.67 3h2l h VAL 485 Cb 0.26 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 3h2l h VAL 485 CO -0.01 0.02 0.21 0.00 0.02 0.00 0.00 177.57 177.81 3h2l h ALA 486 N -0.05 0.60 -0.39 1.67 0.00 -1.10 -0.92 119.26 119.06 3h2l h ALA 486 Ca -0.06 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3h2l h ALA 486 Cb 0.46 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3h2l h ALA 486 CO 0.09 -0.16 0.10 1.03 0.00 0.00 0.00 179.25 180.32 3h2l h SER 487 N 0.42 0.52 -0.37 0.00 0.87 -0.95 -1.76 113.55 112.28 3h2l h SER 487 Ca 0.22 -0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.66 3h2l h SER 487 Cb 0.17 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 3h2l h SER 487 CO -0.18 0.52 0.04 0.00 -0.53 0.00 0.00 176.83 176.67 3h2l h LEU 489 N 0.47 1.08 -0.23 0.00 3.38 -0.73 -1.59 115.31 117.68 3h2l h LEU 489 Ca 0.11 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3h2l h LEU 489 Cb 0.40 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3h2l h LEU 489 CO 0.01 0.91 0.14 0.03 0.09 0.00 0.00 178.44 179.62 3h2l h ARG 490 N 1.18 0.32 -0.38 1.13 3.08 -1.31 0.28 114.38 118.67 3h2l h ARG 490 Ca 0.28 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.34 3h2l h ARG 490 Cb 0.12 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 3h2l h ARG 490 CO -0.04 0.26 0.17 -0.22 -1.07 0.00 0.00 179.97 179.07 3h2l h LYS 491 N 0.29 0.34 0.00 0.04 3.64 -0.85 -2.99 116.57 117.04 3h2l h LYS 491 Ca 0.08 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3h2l h LYS 491 Cb 0.02 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 3h2l h LYS 491 CO -0.02 0.22 -0.44 1.28 -2.27 0.00 0.00 179.45 178.23 3h2l n LEU 492 N -4.96 0.59 -1.59 5.20 4.77 -0.65 -4.88 117.00 115.49 3h2l n LEU 492 Ca 0.01 0.26 -0.05 0.00 -0.03 0.00 0.00 56.01 56.20 3h2l n LEU 492 Cb 0.11 -0.25 0.02 0.00 -2.33 0.00 0.00 43.42 40.97 3h2l n LEU 492 CO 0.29 -0.03 0.04 0.61 -1.33 0.00 0.00 177.39 176.98 3h2l n GLY 493 N 1.39 0.32 3.78 -0.72 0.00 -0.20 -1.03 105.19 108.73 3h2l n GLY 493 Ca 0.05 -0.35 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 3h2l n GLY 493 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h2l s VAL 494 N -3.10 5.30 0.45 1.61 1.01 0.81 -0.02 120.40 126.46 3h2l s VAL 494 Ca 0.05 0.51 -0.23 0.00 0.00 0.00 0.00 61.98 62.32 3h2l s VAL 494 Cb -0.02 -3.59 -0.10 0.00 0.00 0.00 0.00 36.38 32.67 3h2l s VAL 494 CO 0.21 0.48 0.91 -2.65 0.00 0.00 0.00 175.10 174.05 3h2l n PRO 495 N 2.86 1.13 -0.97 2.72 -0.02 -1.26 -4.60 135.00 134.86 3h2l n PRO 495 Ca -0.14 0.41 -0.31 0.00 -2.02 0.00 0.00 63.50 61.44 3h2l n PRO 495 Cb 0.53 -1.96 0.14 0.00 -0.02 0.00 0.00 33.50 32.19 3h2l n PRO 495 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3h2l s PRO 496 N -2.05 1.34 0.55 0.52 0.04 -1.26 -4.80 135.00 129.34 3h2l s PRO 496 Ca 0.65 1.24 0.25 0.00 0.04 0.00 0.00 61.00 63.18 3h2l s PRO 496 Cb -0.54 -1.79 1.45 0.00 0.04 0.00 0.00 34.50 33.66 3h2l s PRO 496 CO 0.56 -2.31 2.04 -0.07 0.04 0.00 0.00 177.00 177.26 3h2l h LEU 497 N -1.62 0.00 -1.22 -3.56 3.38 -2.00 -0.22 115.31 110.07 3h2l h LEU 497 Ca -0.46 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 3h2l h LEU 497 Cb 1.26 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 3h2l h LEU 497 CO 0.48 0.00 0.38 0.08 0.09 0.00 0.00 178.44 179.47 3h2l h ARG 498 N 0.00 0.91 -0.60 1.13 0.11 -2.00 -0.77 114.38 113.17 3h2l h ARG 498 Ca 0.16 -0.09 -0.06 0.00 0.10 0.00 0.00 59.98 60.09 3h2l h ARG 498 Cb 0.71 -0.19 -0.02 0.00 1.11 0.00 0.00 29.97 31.57 3h2l h ARG 498 CO -0.00 0.66 0.12 0.28 0.10 0.00 0.00 179.97 181.13 3h2l h VAL 499 N 0.93 1.25 -0.45 0.08 2.07 -1.37 -2.62 116.25 116.15 3h2l h VAL 499 Ca 0.24 -0.95 -0.10 0.00 0.82 0.00 0.00 66.70 66.70 3h2l h VAL 499 Cb -0.00 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 3h2l h VAL 499 CO -0.04 0.35 -0.14 -0.50 0.02 0.00 0.00 177.57 177.26 3h2l h TRP 500 N 0.88 0.93 -0.23 1.57 4.06 -1.30 -1.40 115.95 120.46 3h2l h TRP 500 Ca 0.18 -0.19 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3h2l h TRP 500 Cb 0.39 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 28.30 3h2l h TRP 500 CO 0.03 0.92 0.15 -0.09 -3.56 0.00 0.00 178.44 175.89 3h2l h ARG 501 N 0.75 0.30 0.03 0.49 2.43 -1.09 0.74 114.38 118.04 3h2l h ARG 501 Ca 0.12 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.29 3h2l h ARG 501 Cb 0.65 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 3h2l h ARG 501 CO 0.05 0.20 -0.13 1.25 -1.51 0.00 0.00 179.97 179.83 3h2l h HIS 502 N 0.31 -0.34 -0.59 2.20 2.76 -1.24 -1.73 115.15 116.53 3h2l h HIS 502 Ca 0.08 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.27 3h2l h HIS 502 Cb -0.03 0.15 -0.03 0.00 1.55 0.00 0.00 27.41 29.04 3h2l h HIS 502 CO -0.06 -0.20 0.38 0.00 -1.30 0.00 0.00 177.93 176.75 3h2l h ARG 503 N -0.24 0.76 -0.89 5.26 3.08 -1.16 -2.68 114.38 118.51 3h2l h ARG 503 Ca 0.04 -0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.13 3h2l h ARG 503 Cb 0.28 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.09 3h2l h ARG 503 CO -0.11 0.50 0.57 0.00 -1.07 0.00 0.00 179.97 179.86 3h2l h ALA 504 N 1.22 1.63 -0.64 0.04 0.00 -0.49 -1.58 119.26 119.45 3h2l h ALA 504 Ca 0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3h2l h ALA 504 Cb -0.07 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3h2l h ALA 504 CO -0.06 0.20 0.34 0.00 0.00 0.00 0.00 179.25 179.73 3h2l h ARG 505 N 0.89 0.88 0.02 0.00 3.08 -0.96 0.21 114.38 118.50 3h2l h ARG 505 Ca 0.41 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.36 3h2l h ARG 505 Cb 0.39 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.26 3h2l h ARG 505 CO -0.17 0.66 -0.01 1.03 -1.07 0.00 0.00 179.97 180.41 3h2l h SER 506 N 0.89 -0.02 -0.49 7.04 0.87 -1.37 -2.41 113.55 118.06 3h2l h SER 506 Ca 0.23 -0.49 0.08 0.00 -1.23 0.00 0.00 61.79 60.37 3h2l h SER 506 Cb 0.04 0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 61.94 3h2l h SER 506 CO -0.04 0.49 0.11 0.58 -0.53 0.00 0.00 176.83 177.44 3h2l h VAL 507 N -0.54 0.74 -0.02 2.23 2.07 -1.02 -0.31 116.25 119.40 3h2l h VAL 507 Ca -0.00 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.46 3h2l h VAL 507 Cb 0.51 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 3h2l h VAL 507 CO 0.00 0.05 -0.21 -0.09 0.02 0.00 0.00 177.57 177.34 3h2l h ARG 508 N 0.25 -0.31 -0.70 1.57 2.43 -0.62 -0.59 114.38 116.41 3h2l h ARG 508 Ca 0.24 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 3h2l h ARG 508 Cb 0.32 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 3h2l h ARG 508 CO -0.31 -0.21 0.35 0.00 -1.51 0.00 0.00 179.97 178.29 3h2l h ALA 509 N 0.58 0.90 -0.15 2.80 0.00 -1.11 0.46 119.26 122.74 3h2l h ALA 509 Ca 0.06 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3h2l h ALA 509 Cb 0.41 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3h2l h ALA 509 CO -0.20 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.50 3h2l h ARG 510 N 0.97 0.05 -0.45 0.00 3.08 -0.83 -0.77 114.38 116.44 3h2l h ARG 510 Ca 0.24 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.29 3h2l h ARG 510 Cb 0.10 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3h2l h ARG 510 CO -0.03 0.04 0.30 -0.07 -1.07 0.00 0.00 179.97 179.13 3h2l h LEU 511 N 0.06 0.51 -1.15 3.04 3.38 -0.77 -2.72 115.31 117.65 3h2l h LEU 511 Ca 0.07 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.08 3h2l h LEU 511 Cb 0.08 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 3h2l h LEU 511 CO -0.12 0.37 0.58 -0.07 0.09 0.00 0.00 178.44 179.29 3h2l h LEU 512 N 0.60 0.92 -2.12 1.67 3.38 -0.61 -2.53 115.31 116.63 3h2l h LEU 512 Ca 0.16 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3h2l h LEU 512 Cb -0.07 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.48 3h2l h LEU 512 CO -0.04 0.62 -0.04 0.28 0.09 0.00 0.00 178.44 179.35 3h2l h SER 513 N 1.06 0.00 0.90 -0.43 0.02 -0.82 -2.53 113.55 111.75 3h2l h SER 513 Ca 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 3h2l h SER 513 Cb 0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3h2l h SER 513 CO -0.12 0.04 -0.45 0.00 -1.14 0.00 0.00 176.83 175.15 3h2l n GLN 514 N -4.14 0.21 -0.00 3.45 6.02 -0.98 -5.05 117.38 116.89 3h2l n GLN 514 Ca -0.03 0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.05 3h2l n GLN 514 Cb 0.13 -1.65 -0.00 0.00 1.02 0.00 0.00 30.24 29.73 3h2l n GLN 514 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h2l n GLY 515 N 1.38 -1.40 7.00 1.08 0.00 -0.96 -4.84 105.19 107.44 3h2l n GLY 515 Ca 0.04 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.89 3h2l n GLY 515 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h2l n GLY 516 N -0.01 2.70 0.20 -0.02 0.00 -1.26 -1.66 105.19 105.14 3h2l n GLY 516 Ca 0.00 -0.37 0.05 0.00 0.00 0.00 0.00 46.02 45.71 3h2l n GLY 516 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3h2l h ARG 517 N 0.00 0.00 -0.27 1.61 3.08 -1.94 -2.45 114.38 114.41 3h2l h ARG 517 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3h2l h ARG 517 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3h2l h ARG 517 CO 0.00 0.32 -0.05 0.00 -1.07 0.00 0.00 179.97 179.18 3h2l h ALA 518 N 1.68 0.37 -0.82 0.04 0.00 -1.80 -1.98 119.26 116.76 3h2l h ALA 518 Ca -0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3h2l h ALA 518 Cb 0.65 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3h2l h ALA 518 CO 0.04 0.17 0.42 0.00 0.00 0.00 0.00 179.25 179.88 3h2l h ALA 519 N 0.79 1.05 -0.61 0.00 0.00 -1.02 -1.01 119.26 118.47 3h2l h ALA 519 Ca 0.07 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.93 3h2l h ALA 519 Cb 0.51 -0.33 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 3h2l h ALA 519 CO 0.02 0.59 0.23 1.15 0.00 0.00 0.00 179.25 181.25 3h2l h THR 520 N 1.15 0.78 -0.10 0.00 2.02 -1.31 0.25 112.91 115.70 3h2l h THR 520 Ca 0.28 -0.14 0.02 0.00 0.77 0.00 0.00 66.41 67.34 3h2l h THR 520 Cb 0.08 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 3h2l h THR 520 CO -0.04 0.08 -0.03 0.00 0.37 0.00 0.00 175.52 175.90 3h2l h GLY 522 N -0.01 1.12 0.62 0.00 0.00 -0.38 -0.45 103.07 103.98 3h2l h GLY 522 Ca 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 3h2l h GLY 522 CO -0.10 0.09 -0.13 1.70 0.00 0.00 0.00 176.54 178.10 3h2l h LYS 523 N 0.67 -0.35 0.00 4.80 3.64 -0.12 -3.10 116.57 122.10 3h2l h LYS 523 Ca 0.36 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.76 3h2l h LYS 523 Cb 0.35 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3h2l h LYS 523 CO -0.25 -0.01 -0.01 1.88 -2.27 0.00 0.00 179.45 178.79 3h2l h TYR 524 N -0.75 0.00 0.00 1.91 0.05 -1.08 -3.15 116.97 113.96 3h2l h TYR 524 Ca -0.04 -0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.69 3h2l h TYR 524 Cb 0.50 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.23 3h2l h TYR 524 CO 0.03 0.90 -0.26 -0.07 -1.05 0.00 0.00 178.16 177.72 3h2l h LEU 525 N -0.89 0.00 -2.81 3.88 3.38 -1.25 -3.31 115.31 114.31 3h2l h LEU 525 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h2l h LEU 525 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3h2l h LEU 525 CO 0.00 0.26 -0.07 0.49 0.09 0.00 0.00 178.44 179.21 3h2l n PHE 526 N -3.49 0.00 0.27 1.13 3.72 -1.17 -4.69 117.46 113.23 3h2l n PHE 526 Ca -0.00 -0.77 0.15 0.00 -0.05 0.00 0.00 57.45 56.78 3h2l n PHE 526 Cb 0.42 -0.12 0.88 0.00 -0.94 0.00 0.00 39.48 39.73 3h2l n PHE 526 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3h2l h ASN 527 N 0.00 0.00 0.50 4.37 -1.24 -1.64 -0.53 115.58 117.04 3h2l h ASN 527 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 3h2l h ASN 527 Cb 0.99 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.04 3h2l h ASN 527 CO 0.00 0.00 -0.10 4.11 -1.29 0.00 0.00 177.43 180.15 3h2l h TRP 528 N 0.00 0.00 0.00 0.67 5.08 -1.83 -3.10 115.95 116.76 3h2l h TRP 528 Ca 0.02 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.99 3h2l h TRP 528 Cb 0.13 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.29 3h2l h TRP 528 CO 0.00 0.10 -0.14 0.00 -1.28 0.00 0.00 178.44 177.12 3h2l n ALA 529 N -2.22 2.47 -2.48 0.11 0.00 -0.21 -4.87 120.51 113.31 3h2l n ALA 529 Ca -0.01 -0.09 -0.30 0.00 0.00 0.00 0.00 53.44 53.04 3h2l n ALA 529 Cb 0.25 -1.40 -0.12 0.00 0.00 0.00 0.00 19.45 18.19 3h2l n ALA 529 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3h2l s VAL 530 N -3.10 2.84 -0.01 0.00 -7.23 -1.17 -4.79 120.40 106.94 3h2l s VAL 530 Ca 0.10 -1.39 -0.25 0.00 -1.81 0.00 0.00 61.98 58.64 3h2l s VAL 530 Cb 0.14 -2.27 -0.18 0.00 0.56 0.00 0.00 36.38 34.63 3h2l s VAL 530 CO 0.62 0.18 1.22 0.11 -0.31 0.00 0.00 175.10 176.91 3h2l h LYS 531 N 4.00 -0.18 -5.18 4.82 1.57 -1.89 -3.40 116.57 116.31 3h2l h LYS 531 Ca -0.49 0.01 -0.67 0.00 -1.87 0.00 0.00 60.65 57.63 3h2l h LYS 531 Cb 1.16 0.04 -0.17 0.00 0.08 0.00 0.00 32.23 33.35 3h2l h LYS 531 CO 0.47 0.21 0.05 -0.08 -0.57 0.00 0.00 179.45 179.53 3h2l s THR 532 N -4.37 4.88 0.36 -0.16 -1.32 -1.26 -5.03 115.64 108.73 3h2l s THR 532 Ca -0.15 -0.15 -0.07 0.00 -1.21 0.00 0.00 61.69 60.11 3h2l s THR 532 Cb 0.02 -4.21 -0.05 0.00 -1.51 0.00 0.00 72.50 66.74 3h2l s THR 532 CO 0.59 -0.64 0.66 -0.54 -2.21 0.00 0.00 174.62 172.48 3h2l s LYS 533 N 2.67 3.66 0.45 7.08 1.02 -1.26 -5.09 119.74 128.26 3h2l s LYS 533 Ca 0.19 0.17 -0.07 0.00 0.02 0.00 0.00 55.97 56.28 3h2l s LYS 533 Cb -0.16 -2.52 -0.05 0.00 -0.52 0.00 0.00 37.83 34.58 3h2l s LYS 533 CO 0.16 0.07 0.77 -0.51 -0.92 0.00 0.00 175.35 174.91 3h2l s LEU 534 N -3.86 3.72 -0.23 3.17 1.43 -1.26 -5.04 118.68 116.60 3h2l s LEU 534 Ca 0.47 0.98 -0.28 0.00 -1.03 0.00 0.00 54.13 54.27 3h2l s LEU 534 Cb -0.10 -3.91 0.01 0.00 0.03 0.00 0.00 46.19 42.21 3h2l s LEU 534 CO 0.33 -0.50 0.97 -0.75 0.23 0.00 0.00 176.35 176.63 3h2l s LYS 535 N -4.38 4.24 -0.53 1.70 2.47 -1.26 -5.00 119.74 116.98 3h2l s LYS 535 Ca 0.48 1.23 -0.16 0.00 -1.56 0.00 0.00 55.97 55.97 3h2l s LYS 535 Cb -0.10 -3.64 0.12 0.00 -1.46 0.00 0.00 37.83 32.74 3h2l s LYS 535 CO 0.40 -0.59 0.49 -0.51 0.16 0.00 0.00 175.35 175.29 3h2l s LEU 536 N 3.08 6.04 0.24 5.43 1.43 -1.26 -5.05 118.68 128.58 3h2l s LEU 536 Ca 0.41 -1.68 0.05 0.00 -1.03 0.00 0.00 54.13 51.88 3h2l s LEU 536 Cb -0.15 -2.21 -0.03 0.00 0.03 0.00 0.00 46.19 43.83 3h2l s LEU 536 CO 0.06 -0.83 0.33 0.42 0.23 0.00 0.00 176.35 176.57 3h2l s THR 537 N 1.65 5.16 0.10 5.49 -4.23 -1.26 -5.05 115.64 117.51 3h2l s THR 537 Ca 0.04 -1.03 -0.36 0.00 -1.18 0.00 0.00 61.69 59.16 3h2l s THR 537 Cb -0.29 -3.79 -0.17 0.00 1.34 0.00 0.00 72.50 69.59 3h2l s THR 537 CO 0.04 -0.32 1.22 -0.81 -0.54 0.00 0.00 174.62 174.21 3h2l n PRO 538 N -1.33 0.93 -2.60 3.99 -0.04 -1.26 -4.89 135.00 129.79 3h2l n PRO 538 Ca -0.09 0.33 -0.43 0.00 -0.04 0.00 0.00 63.50 63.28 3h2l n PRO 538 Cb 0.57 -1.89 -0.02 0.00 -0.04 0.00 0.00 33.50 32.12 3h2l n PRO 538 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3h2l s ILE 539 N 0.16 4.59 0.19 0.52 1.01 -1.26 -4.95 121.20 121.45 3h2l s ILE 539 Ca 0.81 1.90 -0.14 0.00 0.00 0.00 0.00 60.65 63.22 3h2l s ILE 539 Cb -0.97 -4.22 0.15 0.00 0.01 0.00 0.00 42.46 37.43 3h2l s ILE 539 CO 0.50 -0.08 1.66 -0.65 0.00 0.00 0.00 174.94 176.37 3h2l h PRO 540 N 7.44 0.05 0.00 2.79 0.11 -2.04 -2.58 132.00 137.77 3h2l h PRO 540 Ca -0.27 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.83 3h2l h PRO 540 Cb 1.11 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3h2l h PRO 540 CO 0.92 0.03 -0.04 0.00 -0.21 0.00 0.00 178.00 178.70 3h2l h ALA 541 N 1.49 1.28 -0.50 -0.75 0.00 -2.01 -2.74 119.26 116.03 3h2l h ALA 541 Ca 0.26 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.14 3h2l h ALA 541 Cb 0.39 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3h2l h ALA 541 CO -0.49 0.05 0.33 0.00 0.00 0.00 0.00 179.25 179.14 3h2l h ALA 542 N 1.96 1.67 0.00 0.00 0.00 -1.78 -2.62 119.26 118.50 3h2l h ALA 542 Ca -0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3h2l h ALA 542 Cb 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3h2l h ALA 542 CO 0.00 0.30 -0.23 0.77 0.00 0.00 0.00 179.25 180.09 3h2l h SER 543 N 0.65 0.00 0.87 0.00 0.02 -1.64 -2.99 113.55 110.46 3h2l h SER 543 Ca 0.19 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3h2l h SER 543 Cb -0.04 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 3h2l h SER 543 CO -0.04 0.23 -1.13 0.00 -1.14 0.00 0.00 176.83 174.75 3h2l n GLN 544 N -3.50 0.61 -1.63 3.45 1.13 -1.00 -4.96 117.38 111.48 3h2l n GLN 544 Ca -0.01 0.09 -0.48 0.00 -1.94 0.00 0.00 57.00 54.66 3h2l n GLN 544 Cb 0.40 -1.79 -0.04 0.00 0.11 0.00 0.00 30.24 28.91 3h2l n GLN 544 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3h2l n LEU 545 N -2.63 2.41 -4.38 1.08 4.77 -1.13 -4.91 117.00 112.21 3h2l n LEU 545 Ca -0.01 1.11 -0.45 0.00 -0.03 0.00 0.00 56.01 56.63 3h2l n LEU 545 Cb 0.56 -1.32 -0.02 0.00 -2.33 0.00 0.00 43.42 40.31 3h2l n LEU 545 CO 0.41 -0.71 0.74 -0.62 -1.33 0.00 0.00 177.39 175.88 3h2l s ASP 546 N 0.53 6.84 -0.31 -1.43 3.68 -1.26 -4.83 116.67 119.89 3h2l s ASP 546 Ca 0.78 -2.66 0.10 0.00 2.13 0.00 0.00 52.55 52.90 3h2l s ASP 546 Cb -0.79 -2.29 0.73 0.00 -1.45 0.00 0.00 42.92 39.13 3h2l s ASP 546 CO 0.45 -0.70 1.77 0.18 0.13 0.00 0.00 175.17 177.00 3h2l n LEU 547 N 4.72 5.86 -4.74 -1.34 4.77 -1.26 -4.93 117.00 120.08 3h2l n LEU 547 Ca 0.21 -3.23 -0.41 0.00 -0.03 0.00 0.00 56.01 52.55 3h2l n LEU 547 Cb 0.46 -0.73 -0.04 0.00 -2.33 0.00 0.00 43.42 40.79 3h2l n LEU 547 CO 0.43 0.82 0.85 -0.94 -1.33 0.00 0.00 177.39 177.22 3h2l s SER 548 N -1.16 7.14 0.00 -1.43 1.04 -1.26 -2.81 113.70 115.22 3h2l s SER 548 Ca 0.54 2.23 0.00 0.00 0.48 0.00 0.00 55.95 59.20 3h2l s SER 548 Cb 0.43 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.94 3h2l s SER 548 CO 0.13 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.65 3h2l n GLY 549 N 1.93 3.39 0.08 7.32 0.00 -1.26 -4.95 105.19 111.70 3h2l n GLY 549 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 3h2l n GLY 549 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3h2l h TRP 550 N 0.00 0.15 -2.16 1.61 4.06 -1.90 -3.36 115.95 114.36 3h2l h TRP 550 Ca 0.00 -0.04 -0.56 0.00 2.06 0.00 0.00 58.89 60.35 3h2l h TRP 550 Cb 0.00 -0.03 -0.41 0.00 -1.00 0.00 0.00 29.16 27.71 3h2l h TRP 550 CO 0.00 0.53 -0.81 1.19 -3.56 0.00 0.00 178.44 175.80 3h2l n PHE 551 N -4.77 2.94 -0.08 0.49 3.72 -1.26 -4.75 117.46 113.74 3h2l n PHE 551 Ca -0.07 -3.89 -0.15 0.00 -0.05 0.00 0.00 57.45 53.29 3h2l n PHE 551 Cb 0.26 -0.45 -0.05 0.00 -0.94 0.00 0.00 39.48 38.30 3h2l n PHE 551 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3h2l n VAL 552 N -0.11 1.23 -4.05 -4.37 0.31 -1.20 -4.24 118.33 105.90 3h2l n VAL 552 Ca 0.29 -0.06 -0.12 0.00 -0.01 0.00 0.00 64.34 64.45 3h2l n VAL 552 Cb 0.48 -1.93 -0.05 0.00 -0.91 0.00 0.00 33.84 31.44 3h2l n VAL 552 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h2l s ALA 553 N -2.49 0.33 -0.00 3.52 0.00 -1.24 -4.18 121.76 117.70 3h2l s ALA 553 Ca -0.24 -1.24 -0.01 0.00 0.00 0.00 0.00 51.96 50.47 3h2l s ALA 553 Cb 0.07 1.12 -0.04 0.00 0.00 0.00 0.00 23.12 24.27 3h2l s ALA 553 CO 0.33 -0.81 0.11 0.20 0.00 0.00 0.00 175.76 175.59 3h2l s GLY 554 N -3.13 2.07 -0.01 0.00 0.00 -1.26 -4.91 107.32 100.08 3h2l s GLY 554 Ca 0.27 -0.85 0.21 0.00 0.00 0.00 0.00 44.72 44.36 3h2l s GLY 554 CO 0.14 -0.73 1.14 -1.72 0.00 0.00 0.00 173.10 171.94 3h2l n TYR 555 N 1.06 0.00 -1.68 1.90 4.01 0.11 -4.51 117.16 118.05 3h2l n TYR 555 Ca -0.12 -0.47 -0.48 0.00 -0.16 0.00 0.00 57.90 56.67 3h2l n TYR 555 Cb 0.53 -0.14 -0.05 0.00 -0.31 0.00 0.00 39.34 39.37 3h2l n TYR 555 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3h2l n SER 556 N 0.33 3.30 0.00 7.72 2.88 -1.25 0.55 113.62 127.14 3h2l n SER 556 Ca 0.06 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 3h2l n SER 556 Cb 1.05 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.13 3h2l n SER 556 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3h2l n GLY 557 N 4.08 0.77 0.30 0.46 0.00 -1.26 -4.15 105.19 105.39 3h2l n GLY 557 Ca 0.21 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.37 3h2l n GLY 557 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h2l n GLY 558 N -2.06 -0.38 3.57 -0.02 0.00 0.19 -3.38 105.19 103.11 3h2l n GLY 558 Ca 0.00 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 3h2l n GLY 558 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3h2l n ASP 559 N -0.27 -3.39 -4.46 1.61 2.03 -1.26 -4.51 116.55 106.29 3h2l n ASP 559 Ca 0.21 -0.64 -0.33 0.00 0.52 0.00 0.00 54.79 54.54 3h2l n ASP 559 Cb 0.26 -4.81 -0.13 0.00 -0.72 0.00 0.00 41.12 35.71 3h2l n ASP 559 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3h2l s ILE 560 N -3.39 3.28 -0.05 5.18 -1.09 -1.26 -4.36 121.20 119.50 3h2l s ILE 560 Ca 0.23 -0.61 0.03 0.00 -2.23 0.00 0.00 60.65 58.07 3h2l s ILE 560 Cb -0.10 -2.35 0.01 0.00 -1.58 0.00 0.00 42.46 38.43 3h2l s ILE 560 CO 0.75 0.56 -0.13 -0.47 -1.23 0.00 0.00 174.94 174.42 3h2l s TYR 561 N -0.23 1.41 -0.35 3.97 5.04 0.67 -0.50 117.35 127.36 3h2l s TYR 561 Ca 0.02 -0.47 0.03 0.00 -2.44 0.00 0.00 57.07 54.20 3h2l s TYR 561 Cb -0.13 -1.01 0.02 0.00 0.35 0.00 0.00 41.96 41.19 3h2l s TYR 561 CO 0.03 -0.22 0.59 0.72 -1.34 0.00 0.00 175.55 175.32