#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3chg s LYS 16 N 0.00 4.37 -0.08 3.52 1.02 -1.26 -5.04 119.74 122.27 3chg s LYS 16 Ca 0.00 0.59 -0.03 0.00 0.02 0.00 0.00 55.97 56.55 3chg s LYS 16 Cb 0.00 -3.44 0.05 0.00 -0.52 0.00 0.00 37.83 33.91 3chg s LYS 16 CO 0.00 0.12 0.16 0.99 -0.92 0.00 0.00 175.35 175.69 3chg s THR 17 N 0.71 -0.22 -0.31 2.17 2.01 -1.26 -0.61 115.64 118.13 3chg s THR 17 Ca 0.30 0.32 -0.07 0.00 0.31 0.00 0.00 61.69 62.55 3chg s THR 17 Cb -0.16 -0.28 0.02 0.00 0.01 0.00 0.00 72.50 72.09 3chg s THR 17 CO 0.13 0.14 0.10 -0.51 -0.69 0.00 0.00 174.62 173.78 3chg s ILE 18 N 2.08 3.94 -0.06 1.82 2.07 0.69 -4.17 121.20 127.56 3chg s ILE 18 Ca 0.01 -0.85 -0.27 0.00 -1.41 0.00 0.00 60.65 58.12 3chg s ILE 18 Cb -0.12 -3.11 -0.03 0.00 0.13 0.00 0.00 42.46 39.34 3chg s ILE 18 CO -0.06 -0.03 0.88 -0.51 -1.91 0.00 0.00 174.94 173.31 3chg s ILE 19 N 1.47 4.91 0.00 2.00 2.07 0.08 -0.74 121.20 130.99 3chg s ILE 19 Ca 0.01 1.81 0.00 0.00 -1.41 0.00 0.00 60.65 61.06 3chg s ILE 19 Cb -0.18 -4.21 0.00 0.00 0.13 0.00 0.00 42.46 38.20 3chg s ILE 19 CO 0.03 0.14 0.00 0.61 -1.91 0.00 0.00 174.94 173.81 3chg n GLY 20 N 3.08 6.19 0.00 1.50 0.00 0.58 -1.40 105.19 115.14 3chg n GLY 20 Ca 0.04 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.11 3chg n GLY 20 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3chg n ILE 21 N 0.00 0.00 -1.40 -0.61 -5.35 -1.26 -3.45 119.36 107.29 3chg n ILE 21 Ca 0.00 0.00 -0.45 0.00 -0.27 0.00 0.00 62.75 62.03 3chg n ILE 21 Cb 0.00 -0.11 -0.02 0.00 -1.74 0.00 0.00 39.64 37.77 3chg n ILE 21 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3chg n ASP 22 N -0.60 -1.38 0.15 7.28 5.75 -1.16 -3.27 116.55 123.31 3chg n ASP 22 Ca 0.00 1.03 0.05 0.00 -0.01 0.00 0.00 54.79 55.85 3chg n ASP 22 Cb 0.00 -0.98 0.05 0.00 -1.03 0.00 0.00 41.12 39.15 3chg n ASP 22 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 3chg h PRO 23 N 0.90 0.00 0.00 0.11 0.14 -1.97 -3.07 132.00 128.10 3chg h PRO 23 Ca -0.33 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.81 3chg h PRO 23 Cb 1.43 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.57 3chg h PRO 23 CO 0.54 0.36 0.00 0.41 0.14 0.00 0.00 178.00 179.45 3chg n GLY 24 N 1.21 -1.00 3.80 1.56 0.00 -1.26 -4.62 105.19 104.88 3chg n GLY 24 Ca 0.01 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 3chg n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3chg s SER 25 N -2.86 6.55 0.17 1.61 1.04 -1.16 -4.62 113.70 114.42 3chg s SER 25 Ca 0.11 1.88 -0.10 0.00 0.48 0.00 0.00 55.95 58.31 3chg s SER 25 Cb 0.11 -2.56 0.04 0.00 0.10 0.00 0.00 66.02 63.72 3chg s SER 25 CO 0.29 -0.64 1.62 1.23 0.98 0.00 0.00 173.24 176.72 3chg h GLY 26 N 1.76 1.08 2.00 7.32 0.00 -1.89 -2.17 103.07 111.17 3chg h GLY 26 Ca -0.49 -0.81 0.00 0.00 0.00 0.00 0.00 47.33 46.03 3chg h GLY 26 CO 0.60 0.74 0.00 1.19 0.00 0.00 0.00 176.54 179.07 3chg h ILE 27 N 0.88 0.00 0.00 2.60 2.10 -1.94 0.50 117.51 121.65 3chg h ILE 27 Ca 0.16 -0.38 -0.16 0.00 1.08 0.00 0.00 64.86 65.55 3chg h ILE 27 Cb 0.57 1.33 -0.03 0.00 -1.09 0.00 0.00 36.82 37.60 3chg h ILE 27 CO 0.03 0.00 -1.02 -0.03 -1.08 0.00 0.00 178.15 176.05 3chg h MET 28 N 0.00 0.00 0.13 2.19 4.05 -1.74 -2.65 114.93 116.91 3chg h MET 28 Ca 0.00 0.00 -0.26 0.00 -0.28 0.00 0.00 59.70 59.16 3chg h MET 28 Cb 0.40 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.21 3chg h MET 28 CO 0.00 0.49 -1.27 0.66 0.23 0.00 0.00 176.91 177.01 3chg h SER 29 N 0.00 0.44 0.63 1.39 4.64 -0.77 -3.34 113.55 116.53 3chg h SER 29 Ca -0.09 -0.88 -0.01 0.00 -0.47 0.00 0.00 61.79 60.34 3chg h SER 29 Cb 1.56 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 63.51 3chg h SER 29 CO 0.07 1.57 -0.04 -0.07 -0.87 0.00 0.00 176.83 177.48 3chg h LEU 30 N -0.29 0.00 -0.82 5.97 3.38 -0.13 -1.77 115.31 121.65 3chg h LEU 30 Ca -0.26 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.61 3chg h LEU 30 Cb 1.76 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.50 3chg h LEU 30 CO 0.10 0.04 -0.45 0.74 0.09 0.00 0.00 178.44 178.96 3chg h THR 31 N 0.00 1.02 -0.42 0.22 2.02 -1.60 0.18 112.91 114.32 3chg h THR 31 Ca -0.00 -1.74 -0.08 0.00 0.77 0.00 0.00 66.41 65.37 3chg h THR 31 Cb 0.37 2.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.79 3chg h THR 31 CO 0.01 0.44 -0.03 0.44 0.37 0.00 0.00 175.52 176.75 3chg h ASP 32 N 0.00 0.76 1.12 4.18 3.32 -1.44 0.12 116.42 124.48 3chg h ASP 32 Ca -0.00 -0.32 -0.08 0.00 0.02 0.00 0.00 57.03 56.64 3chg h ASP 32 Cb 0.99 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 3chg h ASP 32 CO 0.06 0.90 -0.40 0.50 -1.72 0.00 0.00 179.24 178.58 3chg h LYS 33 N 0.60 0.00 -0.06 3.56 3.64 -1.39 -2.18 116.57 120.75 3chg h LYS 33 Ca 0.12 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 3chg h LYS 33 Cb 0.53 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3chg h LYS 33 CO 0.03 0.40 -0.10 0.00 -2.27 0.00 0.00 179.45 177.51 3chg h ALA 34 N 1.60 0.09 -0.10 5.00 0.00 -0.55 -1.87 119.26 123.43 3chg h ALA 34 Ca -0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3chg h ALA 34 Cb 1.07 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3chg h ALA 34 CO 0.05 -0.06 0.02 0.52 0.00 0.00 0.00 179.25 179.78 3chg h MET 35 N -0.32 0.14 0.05 0.00 2.86 -0.73 -2.51 114.93 114.42 3chg h MET 35 Ca 0.00 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3chg h MET 35 Cb 0.66 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.29 3chg h MET 35 CO 0.02 0.14 -0.02 0.87 1.06 0.00 0.00 176.91 178.98 3chg h LYS 36 N 0.14 -0.07 -0.41 1.72 1.57 -1.42 -1.79 116.57 116.32 3chg h LYS 36 Ca 0.04 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.94 3chg h LYS 36 Cb 0.07 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3chg h LYS 36 CO -0.00 0.53 0.31 -0.44 -0.57 0.00 0.00 179.45 179.28 3chg h ASP 37 N -0.75 0.00 -0.25 0.86 3.32 -1.13 -2.96 116.42 115.51 3chg h ASP 37 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3chg h ASP 37 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 3chg h ASP 37 CO 0.01 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.31 3chg n TYR 38 N -4.29 0.35 -1.92 4.55 4.02 -0.96 -4.99 117.16 113.92 3chg n TYR 38 Ca 0.07 -0.51 -0.14 0.00 -0.01 0.00 0.00 57.90 57.31 3chg n TYR 38 Cb 0.50 -0.04 -0.03 0.00 -0.02 0.00 0.00 39.34 39.75 3chg n TYR 38 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3chg n ASP 39 N 0.21 -4.49 -3.46 7.72 9.92 -1.12 -4.87 116.55 120.46 3chg n ASP 39 Ca 0.09 0.13 -0.40 0.00 -0.53 0.00 0.00 54.79 54.08 3chg n ASP 39 Cb 0.39 -3.48 -0.01 0.00 -0.64 0.00 0.00 41.12 37.38 3chg n ASP 39 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3chg n LEU 40 N -1.86 8.15 -0.90 0.64 4.77 -0.68 -4.68 117.00 122.44 3chg n LEU 40 Ca -0.16 -4.63 0.11 0.00 -0.03 0.00 0.00 56.01 51.30 3chg n LEU 40 Cb 0.56 -1.46 0.12 0.00 -2.33 0.00 0.00 43.42 40.30 3chg n LEU 40 CO 0.20 1.96 0.61 0.59 -1.33 0.00 0.00 177.39 179.42 3chg n ASN 41 N 2.85 2.90 -2.20 -1.43 4.13 -1.26 -3.50 115.26 116.75 3chg n ASN 41 Ca 0.66 -1.90 -0.26 0.00 1.68 0.00 0.00 54.58 54.77 3chg n ASN 41 Cb 0.26 -0.06 0.15 0.00 -1.54 0.00 0.00 39.78 38.59 3chg n ASN 41 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3chg n ASP 42 N 1.22 4.68 -4.64 6.41 5.75 -1.26 -4.98 116.55 123.73 3chg n ASP 42 Ca 0.14 -3.67 -0.25 0.00 -0.01 0.00 0.00 54.79 51.00 3chg n ASP 42 Cb 0.54 -0.86 -0.09 0.00 -1.03 0.00 0.00 41.12 39.68 3chg n ASP 42 CO 0.00 0.00 0.00 0.26 -0.11 0.00 0.00 177.20 177.35 3chg s TRP 43 N -3.43 2.54 -0.05 2.11 0.52 -1.23 -4.19 118.94 115.21 3chg s TRP 43 Ca 0.58 -0.51 -0.00 0.00 0.02 0.00 0.00 56.10 56.19 3chg s TRP 43 Cb 0.48 -1.62 0.03 0.00 -1.15 0.00 0.00 33.47 31.21 3chg s TRP 43 CO 0.07 0.42 0.00 0.99 0.02 0.00 0.00 176.95 178.46 3chg s THR 44 N -2.57 0.25 -0.55 2.01 2.01 0.22 -4.97 115.64 112.05 3chg s THR 44 Ca 0.36 0.11 -0.21 0.00 0.31 0.00 0.00 61.69 62.26 3chg s THR 44 Cb 0.03 -0.38 0.06 0.00 0.01 0.00 0.00 72.50 72.22 3chg s THR 44 CO 0.20 0.19 0.77 -0.22 -0.69 0.00 0.00 174.62 174.87 3chg s LEU 45 N 1.42 4.71 -0.09 4.42 2.96 -1.26 -0.23 118.68 130.62 3chg s LEU 45 Ca -0.04 -0.84 -0.30 0.00 -0.22 0.00 0.00 54.13 52.73 3chg s LEU 45 Cb -0.13 -2.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.00 3chg s LEU 45 CO -0.03 -1.09 1.29 -0.63 -1.32 0.00 0.00 176.35 174.58 3chg s ILE 46 N 3.19 4.12 -0.25 6.68 -1.09 0.08 -4.92 121.20 129.02 3chg s ILE 46 Ca 0.20 1.42 -0.16 0.00 -2.23 0.00 0.00 60.65 59.88 3chg s ILE 46 Cb -0.18 -3.92 -0.03 0.00 -1.58 0.00 0.00 42.46 36.75 3chg s ILE 46 CO 0.13 -0.06 0.44 -0.44 -1.23 0.00 0.00 174.94 173.78 3chg s SER 47 N 1.86 6.38 0.00 3.58 0.01 -1.26 -0.31 113.70 123.96 3chg s SER 47 Ca 0.58 0.45 0.00 0.00 1.31 0.00 0.00 55.95 58.29 3chg s SER 47 Cb -0.25 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 63.73 3chg s SER 47 CO 0.20 -0.20 0.00 0.00 0.41 0.00 0.00 173.24 173.66 3chg n ALA 48 N 5.18 0.00 -2.73 1.44 0.00 -1.20 -4.98 120.51 118.21 3chg n ALA 48 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.05 3chg n ALA 48 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.89 3chg n ALA 48 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3chg s SER 49 N 1.00 4.18 0.10 0.00 0.01 -1.26 -3.01 113.70 114.73 3chg s SER 49 Ca 0.00 -1.62 -0.16 0.00 1.31 0.00 0.00 55.95 55.48 3chg s SER 49 Cb 0.00 0.53 -0.06 0.00 0.21 0.00 0.00 66.02 66.70 3chg s SER 49 CO 0.00 -0.88 1.49 0.28 0.41 0.00 0.00 173.24 174.54 3chg h SER 50 N 1.28 0.65 -0.73 2.44 0.02 -1.88 -2.76 113.55 112.57 3chg h SER 50 Ca -0.43 -0.38 -0.04 0.00 -0.84 0.00 0.00 61.79 60.09 3chg h SER 50 Cb 1.32 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.64 3chg h SER 50 CO 0.72 0.88 0.29 0.00 -1.14 0.00 0.00 176.83 177.59 3chg h ALA 51 N 0.79 1.11 -0.21 3.77 0.00 -1.97 -3.03 119.26 119.71 3chg h ALA 51 Ca 0.08 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 3chg h ALA 51 Cb 0.61 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3chg h ALA 51 CO 0.04 0.63 -0.52 0.00 0.00 0.00 0.00 179.25 179.40 3chg h ALA 52 N 1.23 0.69 0.77 0.00 0.00 -1.95 -2.64 119.26 117.36 3chg h ALA 52 Ca 0.25 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 3chg h ALA 52 Cb 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3chg h ALA 52 CO -0.02 0.68 -0.50 1.98 0.00 0.00 0.00 179.25 181.39 3chg h MET 53 N 0.47 -1.15 0.00 0.00 4.05 -1.37 -1.96 114.93 114.96 3chg h MET 53 Ca 0.02 0.08 -0.04 0.00 -0.28 0.00 0.00 59.70 59.48 3chg h MET 53 Cb 1.07 0.26 -0.01 0.00 -0.80 0.00 0.00 31.60 32.13 3chg h MET 53 CO 0.10 -0.77 -0.18 1.79 0.23 0.00 0.00 176.91 178.08 3chg h THR 54 N -1.20 0.52 -0.45 -0.77 1.35 -1.64 -0.91 112.91 109.81 3chg h THR 54 Ca -0.10 -0.92 -0.06 0.00 -0.55 0.00 0.00 66.41 64.78 3chg h THR 54 Cb 0.97 1.63 -0.02 0.00 -1.73 0.00 0.00 68.15 68.99 3chg h THR 54 CO 0.09 0.18 0.04 0.00 -0.25 0.00 0.00 175.52 175.58 3chg h ALA 55 N 1.82 1.23 0.09 6.62 0.00 -1.36 0.01 119.26 127.66 3chg h ALA 55 Ca -0.00 -0.22 -0.28 0.00 0.00 0.00 0.00 54.91 54.40 3chg h ALA 55 Cb 0.61 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.24 3chg h ALA 55 CO 0.02 0.52 -1.19 1.15 0.00 0.00 0.00 179.25 179.76 3chg h THR 56 N 0.68 1.31 -0.70 0.00 2.02 -0.51 -1.81 112.91 113.90 3chg h THR 56 Ca 0.14 -2.48 0.07 0.00 0.77 0.00 0.00 66.41 64.92 3chg h THR 56 Cb 0.36 2.64 -0.06 0.00 -1.74 0.00 0.00 68.15 69.35 3chg h THR 56 CO 0.01 0.75 0.38 0.25 0.37 0.00 0.00 175.52 177.28 3chg h LEU 57 N 0.27 0.55 0.23 2.58 5.85 -1.00 -0.99 115.31 122.79 3chg h LEU 57 Ca -0.16 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.60 3chg h LEU 57 Cb 1.85 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.79 3chg h LEU 57 CO 0.22 0.34 -0.28 0.50 -0.34 0.00 0.00 178.44 178.89 3chg h LYS 58 N 0.68 -0.53 -2.02 1.25 3.64 -1.01 -0.50 116.57 118.08 3chg h LYS 58 Ca 0.33 0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.70 3chg h LYS 58 Cb 0.26 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3chg h LYS 58 CO -0.21 -0.36 -0.07 1.17 -2.27 0.00 0.00 179.45 177.71 3chg n LYS 59 N -5.39 1.13 0.00 1.90 4.81 -0.63 -3.10 118.16 116.88 3chg n LYS 59 Ca -0.08 -0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.15 3chg n LYS 59 Cb 0.30 -1.25 0.00 0.00 0.02 0.00 0.00 35.03 34.10 3chg n LYS 59 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3chg n SER 60 N 1.77 0.00 -0.10 3.14 7.64 -0.47 -4.89 113.62 120.71 3chg n SER 60 Ca 0.09 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.85 3chg n SER 60 Cb 0.55 0.04 -0.04 0.00 -1.01 0.00 0.00 64.21 63.75 3chg n SER 60 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 3chg h TYR 61 N 0.00 0.75 0.00 1.43 3.20 -1.05 -1.18 116.97 120.13 3chg h TYR 61 Ca 0.00 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 61.66 3chg h TYR 61 Cb 0.00 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.10 3chg h TYR 61 CO 0.00 0.91 0.00 -0.25 -1.64 0.00 0.00 178.16 177.18 3chg n ASP 62 N -4.35 0.00 -1.07 -2.11 10.43 -1.24 -0.29 116.55 117.91 3chg n ASP 62 Ca -0.04 -0.19 0.09 0.00 2.57 0.00 0.00 54.79 57.23 3chg n ASP 62 Cb 0.41 -0.21 0.25 0.00 1.84 0.00 0.00 41.12 43.42 3chg n ASP 62 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3chg n ARG 63 N -1.21 2.78 -4.13 -1.24 1.74 -0.72 -4.98 116.66 108.89 3chg n ARG 63 Ca 0.12 -2.42 -0.29 0.00 -0.77 0.00 0.00 57.85 54.49 3chg n ARG 63 Cb 0.14 -1.45 -0.06 0.00 -1.02 0.00 0.00 32.46 30.08 3chg n ARG 63 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3chg n LYS 64 N 1.20 -2.27 -3.93 5.56 4.76 0.60 -4.97 118.16 119.11 3chg n LYS 64 Ca 0.19 0.27 -0.32 0.00 -2.87 0.00 0.00 58.31 55.58 3chg n LYS 64 Cb 0.54 -4.17 -0.05 0.00 -1.84 0.00 0.00 35.03 29.52 3chg n LYS 64 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3chg s LYS 65 N -6.93 3.40 0.11 1.97 1.02 -0.52 -5.03 119.74 113.76 3chg s LYS 65 Ca 0.05 -0.39 -0.30 0.00 0.02 0.00 0.00 55.97 55.35 3chg s LYS 65 Cb -0.03 -3.05 -0.06 0.00 -0.52 0.00 0.00 37.83 34.17 3chg s LYS 65 CO 0.94 0.65 1.10 -1.25 -0.92 0.00 0.00 175.35 175.86 3chg s PRO 66 N -2.16 4.55 -0.12 -1.68 0.04 -1.26 -4.63 135.00 129.74 3chg s PRO 66 Ca 0.30 1.66 -0.16 0.00 0.04 0.00 0.00 61.00 62.84 3chg s PRO 66 Cb -0.13 -3.34 0.04 0.00 0.04 0.00 0.00 34.50 31.12 3chg s PRO 66 CO 0.22 -0.03 0.42 -1.50 0.04 0.00 0.00 177.00 176.15 3chg s ILE 67 N 0.38 0.01 -0.22 0.56 2.07 -1.26 -5.10 121.20 117.64 3chg s ILE 67 Ca 0.52 -0.10 0.01 0.00 -1.41 0.00 0.00 60.65 59.67 3chg s ILE 67 Cb -0.27 -0.63 0.03 0.00 0.13 0.00 0.00 42.46 41.72 3chg s ILE 67 CO 0.32 -0.06 -0.14 -0.63 -1.91 0.00 0.00 174.94 172.52 3chg s ILE 68 N -0.20 2.29 0.25 2.00 1.09 -1.26 -4.29 121.20 121.09 3chg s ILE 68 Ca -0.04 -1.14 0.10 0.00 -1.10 0.00 0.00 60.65 58.48 3chg s ILE 68 Cb -0.03 -2.12 -0.05 0.00 -1.06 0.00 0.00 42.46 39.21 3chg s ILE 68 CO 0.02 0.31 -0.09 0.27 -0.10 0.00 0.00 174.94 175.35 3chg s ILE 69 N 1.25 3.04 -0.71 2.92 -4.36 -0.35 -0.74 121.20 122.25 3chg s ILE 69 Ca 0.00 -2.04 -0.24 0.00 -0.26 0.00 0.00 60.65 58.11 3chg s ILE 69 Cb -0.16 -2.59 0.06 0.00 1.25 0.00 0.00 42.46 41.02 3chg s ILE 69 CO -0.09 -0.33 1.11 0.42 0.24 0.00 0.00 174.94 176.29 3chg s THR 70 N -2.26 4.09 0.46 8.37 -4.23 -0.49 -0.04 115.64 121.54 3chg s THR 70 Ca 0.29 -0.12 0.07 0.00 -1.18 0.00 0.00 61.69 60.75 3chg s THR 70 Cb -0.06 -4.79 0.02 0.00 1.34 0.00 0.00 72.50 69.01 3chg s THR 70 CO 0.17 -1.63 0.62 -0.83 -0.54 0.00 0.00 174.62 172.42 3chg s GLY 71 N 3.74 1.91 -0.28 3.99 0.00 0.87 -4.90 107.32 112.66 3chg s GLY 71 Ca 0.28 -1.63 -0.21 0.00 0.00 0.00 0.00 44.72 43.16 3chg s GLY 71 CO 0.11 -1.41 0.89 0.66 0.00 0.00 0.00 173.10 173.34 3chg s TRP 72 N -2.45 -0.68 -0.04 1.90 -2.14 -1.26 -1.57 118.94 112.70 3chg s TRP 72 Ca 0.56 1.51 -0.21 0.00 2.66 0.00 0.00 56.10 60.62 3chg s TRP 72 Cb -0.10 0.40 -0.05 0.00 -3.10 0.00 0.00 33.47 30.62 3chg s TRP 72 CO 0.34 -0.33 0.59 0.95 -2.66 0.00 0.00 176.95 175.84 3chg s THR 73 N 0.82 4.99 0.18 0.66 -4.23 0.14 -3.41 115.64 114.78 3chg s THR 73 Ca -0.03 1.23 -0.13 0.00 -1.18 0.00 0.00 61.69 61.57 3chg s THR 73 Cb -0.05 -3.93 -0.07 0.00 1.34 0.00 0.00 72.50 69.79 3chg s THR 73 CO -0.10 0.37 0.57 -2.16 -0.54 0.00 0.00 174.62 172.76 3chg s PRO 74 N 0.15 3.95 0.07 3.99 0.04 -1.26 -3.30 135.00 138.64 3chg s PRO 74 Ca 0.31 0.47 -0.15 0.00 0.04 0.00 0.00 61.00 61.67 3chg s PRO 74 Cb -0.18 -2.83 0.02 0.00 0.04 0.00 0.00 34.50 31.56 3chg s PRO 74 CO 0.16 0.42 0.34 -1.58 0.04 0.00 0.00 177.00 176.38 3chg s HIS 75 N -1.58 -0.13 -0.86 0.56 2.46 -1.22 -4.75 115.29 109.77 3chg s HIS 75 Ca 0.41 -0.08 0.20 0.00 0.47 0.00 0.00 55.06 56.06 3chg s HIS 75 Cb -0.14 0.15 0.84 0.00 -0.13 0.00 0.00 32.58 33.30 3chg s HIS 75 CO 0.20 -0.58 1.64 -2.67 -2.47 0.00 0.00 174.74 170.85 3chg n TRP 76 N 0.23 0.26 -0.16 3.88 4.27 -1.26 -3.56 117.44 121.10 3chg n TRP 76 Ca -0.17 0.09 -0.02 0.00 -3.89 0.00 0.00 57.50 53.51 3chg n TRP 76 Cb 0.61 -0.65 0.06 0.00 -1.36 0.00 0.00 31.31 29.98 3chg n TRP 76 CO 0.00 0.00 0.00 0.52 -2.29 0.00 0.00 177.69 175.92 3chg h MET 77 N 0.00 0.21 0.00 -2.67 2.86 -1.95 -2.23 114.93 111.14 3chg h MET 77 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3chg h MET 77 Cb 0.37 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.98 3chg h MET 77 CO 0.00 0.14 0.00 1.19 1.06 0.00 0.00 176.91 179.30 3chg n PHE 78 N -5.13 0.00 -0.11 -0.22 3.72 -1.23 -0.76 117.46 113.73 3chg n PHE 78 Ca 0.05 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.29 3chg n PHE 78 Cb 0.25 -0.28 -0.06 0.00 -0.94 0.00 0.00 39.48 38.45 3chg n PHE 78 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3chg n SER 79 N -1.28 1.93 0.29 4.37 7.64 -0.89 -4.54 113.62 121.15 3chg n SER 79 Ca 0.06 0.36 0.17 0.00 1.01 0.00 0.00 58.87 60.47 3chg n SER 79 Cb 0.10 -0.78 0.87 0.00 -1.01 0.00 0.00 64.21 63.39 3chg n SER 79 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 3chg h ARG 80 N -1.00 0.00 -3.64 1.43 9.65 -1.25 -3.44 114.38 116.13 3chg h ARG 80 Ca -0.25 0.00 -0.18 0.00 -1.10 0.00 0.00 59.98 58.45 3chg h ARG 80 Cb 1.19 0.00 -0.23 0.00 -1.39 0.00 0.00 29.97 29.53 3chg h ARG 80 CO -0.15 0.04 -0.60 0.71 2.80 0.00 0.00 179.97 182.78 3chg s TYR 81 N -4.00 0.04 -0.41 2.20 2.02 0.06 -5.09 117.35 112.17 3chg s TYR 81 Ca -0.02 -0.09 -0.29 0.00 -0.37 0.00 0.00 57.07 56.30 3chg s TYR 81 Cb 0.12 -0.05 0.02 0.00 -0.40 0.00 0.00 41.96 41.64 3chg s TYR 81 CO 0.52 -0.17 1.21 0.15 -1.57 0.00 0.00 175.55 175.69 3chg s LYS 82 N -0.83 3.78 0.11 -0.62 1.02 -1.26 -4.26 119.74 117.67 3chg s LYS 82 Ca -0.09 0.82 0.02 0.00 0.02 0.00 0.00 55.97 56.74 3chg s LYS 82 Cb -0.05 -3.90 -0.04 0.00 -0.52 0.00 0.00 37.83 33.31 3chg s LYS 82 CO 0.00 -1.31 -0.07 -0.51 -0.92 0.00 0.00 175.35 172.54 3chg s LEU 83 N 4.52 2.50 0.01 3.17 1.43 -1.26 -1.96 118.68 127.08 3chg s LEU 83 Ca 0.51 -1.01 -0.06 0.00 -1.03 0.00 0.00 54.13 52.55 3chg s LEU 83 Cb -0.11 -0.14 -0.00 0.00 0.03 0.00 0.00 46.19 45.97 3chg s LEU 83 CO 0.28 -0.44 0.10 -1.59 0.23 0.00 0.00 176.35 174.93 3chg s LYS 84 N -3.82 0.44 -0.22 1.70 -2.85 -0.87 -4.80 119.74 109.33 3chg s LYS 84 Ca 0.13 -0.46 -0.25 0.00 -1.00 0.00 0.00 55.97 54.40 3chg s LYS 84 Cb 0.05 0.18 -0.01 0.00 -2.06 0.00 0.00 37.83 35.99 3chg s LYS 84 CO -0.03 -0.10 0.83 0.71 0.10 0.00 0.00 175.35 176.85 3chg s TYR 85 N -1.42 3.34 -0.08 1.78 2.02 -1.26 -3.03 117.35 118.70 3chg s TYR 85 Ca -0.15 1.17 -0.30 0.00 -0.37 0.00 0.00 57.07 57.42 3chg s TYR 85 Cb -0.08 -3.03 -0.06 0.00 -0.40 0.00 0.00 41.96 38.39 3chg s TYR 85 CO 0.01 -0.35 1.72 -0.51 -1.57 0.00 0.00 175.55 174.85 3chg s LEU 86 N 2.62 4.23 0.21 -1.29 1.43 -1.23 -4.91 118.68 119.75 3chg s LEU 86 Ca 0.36 2.18 -0.31 0.00 -1.03 0.00 0.00 54.13 55.33 3chg s LEU 86 Cb -0.16 -3.53 -0.15 0.00 0.03 0.00 0.00 46.19 42.38 3chg s LEU 86 CO 0.09 -1.04 1.09 0.47 0.23 0.00 0.00 176.35 177.18 3chg n ASP 87 N 7.61 1.24 -4.07 2.29 8.00 -1.05 -4.45 116.55 126.11 3chg n ASP 87 Ca 0.18 1.15 -0.35 0.00 0.71 0.00 0.00 54.79 56.49 3chg n ASP 87 Cb 0.43 -1.23 -0.08 0.00 -0.02 0.00 0.00 41.12 40.22 3chg n ASP 87 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3chg s ASP 88 N -0.23 5.63 0.20 -2.24 3.68 -1.26 -2.18 116.67 120.27 3chg s ASP 88 Ca 0.68 -3.52 -0.08 0.00 2.13 0.00 0.00 52.55 51.76 3chg s ASP 88 Cb -0.80 -1.86 0.13 0.00 -1.45 0.00 0.00 42.92 38.94 3chg s ASP 88 CO 0.55 -0.22 1.72 1.55 0.13 0.00 0.00 175.17 178.91 3chg h PRO 89 N 6.18 1.15 0.00 4.34 0.13 -2.02 -2.71 132.00 139.07 3chg h PRO 89 Ca 0.11 -0.27 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 3chg h PRO 89 Cb 0.84 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.82 3chg h PRO 89 CO 0.80 1.00 0.00 1.63 -0.23 0.00 0.00 178.00 181.20 3chg n LYS 90 N -4.23 0.03 -3.32 0.86 5.02 -1.26 -4.94 118.16 110.32 3chg n LYS 90 Ca 0.05 0.18 -0.10 0.00 -2.02 0.00 0.00 58.31 56.43 3chg n LYS 90 Cb 0.26 -1.54 0.01 0.00 -0.02 0.00 0.00 35.03 33.73 3chg n LYS 90 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3chg n GLN 91 N -1.59 -1.42 0.15 1.97 6.02 -1.02 -4.94 117.38 116.54 3chg n GLN 91 Ca 0.05 1.18 0.06 0.00 -0.01 0.00 0.00 57.00 58.28 3chg n GLN 91 Cb 0.24 -4.71 0.06 0.00 1.02 0.00 0.00 30.24 26.84 3chg n GLN 91 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 3chg h SER 92 N -0.02 0.00 -0.03 1.08 0.02 -1.92 -3.32 113.55 109.36 3chg h SER 92 Ca -0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 3chg h SER 92 Cb 1.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.69 3chg h SER 92 CO 0.34 0.30 -0.00 -1.22 -1.14 0.00 0.00 176.83 175.11 3chg n TYR 93 N -3.10 0.00 -0.98 3.45 4.01 -1.26 -4.79 117.16 114.49 3chg n TYR 93 Ca 0.01 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.88 3chg n TYR 93 Cb 0.66 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.66 3chg n TYR 93 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3chg n GLY 94 N 1.32 -2.03 3.27 2.72 0.00 -1.25 -4.86 105.19 104.37 3chg n GLY 94 Ca 0.14 -1.29 -0.16 0.00 0.00 0.00 0.00 46.02 44.71 3chg n GLY 94 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3chg s SER 95 N -5.26 0.95 -1.36 1.61 0.15 -1.26 -4.88 113.70 103.65 3chg s SER 95 Ca 0.00 -1.57 -0.06 0.00 0.70 0.00 0.00 55.95 55.02 3chg s SER 95 Cb 0.00 0.49 0.03 0.00 -1.71 0.00 0.00 66.02 64.83 3chg s SER 95 CO 0.00 -0.99 0.98 0.00 1.20 0.00 0.00 173.24 174.44 3chg n ALA 96 N -0.47 -1.62 -2.44 5.45 0.00 -1.26 -4.96 120.51 115.22 3chg n ALA 96 Ca 0.05 0.12 -0.39 0.00 0.00 0.00 0.00 53.44 53.22 3chg n ALA 96 Cb 0.64 -3.76 -0.06 0.00 0.00 0.00 0.00 19.45 16.27 3chg n ALA 96 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3chg s GLU 97 N -6.11 4.35 0.29 0.00 2.56 -1.26 -4.43 118.70 114.10 3chg s GLU 97 Ca 0.35 0.81 0.04 0.00 0.00 0.00 0.00 54.97 56.16 3chg s GLU 97 Cb -0.16 -3.34 -0.06 0.00 2.00 0.00 0.00 34.13 32.57 3chg s GLU 97 CO 0.77 0.38 0.04 -1.21 -0.56 0.00 0.00 175.26 174.68 3chg s GLU 98 N -0.25 1.55 -0.15 4.30 2.02 0.26 -2.75 118.70 123.67 3chg s GLU 98 Ca 0.32 -1.84 0.02 0.00 0.02 0.00 0.00 54.97 53.50 3chg s GLU 98 Cb -0.19 -0.76 0.01 0.00 0.10 0.00 0.00 34.13 33.30 3chg s GLU 98 CO 0.19 -0.17 -0.21 -1.50 0.02 0.00 0.00 175.26 173.59 3chg s ILE 99 N -3.36 2.01 0.18 -1.63 2.07 -1.21 -0.76 121.20 118.49 3chg s ILE 99 Ca 0.35 -0.93 0.07 0.00 -1.41 0.00 0.00 60.65 58.72 3chg s ILE 99 Cb 0.08 -1.80 -0.04 0.00 0.13 0.00 0.00 42.46 40.83 3chg s ILE 99 CO 0.14 0.54 0.05 -1.00 -1.91 0.00 0.00 174.94 172.76 3chg s HIS 100 N 1.03 2.95 -0.23 3.50 3.76 0.31 -1.16 115.29 125.45 3chg s HIS 100 Ca -0.02 -0.10 -0.09 0.00 -0.15 0.00 0.00 55.06 54.69 3chg s HIS 100 Cb -0.14 -1.41 -0.05 0.00 1.11 0.00 0.00 32.58 32.09 3chg s HIS 100 CO -0.06 0.52 0.13 0.99 -0.85 0.00 0.00 174.74 175.47 3chg s THR 101 N -1.79 5.09 0.05 1.30 2.01 0.75 -3.61 115.64 119.45 3chg s THR 101 Ca 0.29 0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.41 3chg s THR 101 Cb -0.09 -3.36 -0.02 0.00 0.01 0.00 0.00 72.50 69.03 3chg s THR 101 CO 0.20 0.36 -0.11 0.27 -0.69 0.00 0.00 174.62 174.65 3chg s ILE 102 N 1.03 0.87 0.32 1.82 -5.25 0.13 -2.67 121.20 117.45 3chg s ILE 102 Ca 0.06 -1.11 0.08 0.00 -0.99 0.00 0.00 60.65 58.69 3chg s ILE 102 Cb -0.14 -0.86 -0.06 0.00 2.95 0.00 0.00 42.46 44.36 3chg s ILE 102 CO 0.04 -0.22 -0.06 0.42 -1.79 0.00 0.00 174.94 173.32 3chg s THR 103 N -1.18 1.88 0.52 8.37 -4.23 0.21 0.07 115.64 121.29 3chg s THR 103 Ca -0.04 -2.14 -0.21 0.00 -1.18 0.00 0.00 61.69 58.11 3chg s THR 103 Cb -0.09 -2.58 -0.07 0.00 1.34 0.00 0.00 72.50 71.10 3chg s THR 103 CO 0.01 -0.23 1.06 -1.14 -0.54 0.00 0.00 174.62 173.79 3chg n ARG 104 N -0.70 1.26 -2.40 3.99 0.63 0.40 -0.40 116.66 119.44 3chg n ARG 104 Ca -0.05 0.46 -0.41 0.00 -0.92 0.00 0.00 57.85 56.93 3chg n ARG 104 Cb 0.64 -2.21 -0.03 0.00 0.45 0.00 0.00 32.46 31.30 3chg n ARG 104 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3chg s LYS 105 N -2.50 4.50 0.00 -0.14 2.47 -1.26 -2.87 119.74 119.94 3chg s LYS 105 Ca 0.70 1.84 0.00 0.00 -1.56 0.00 0.00 55.97 56.95 3chg s LYS 105 Cb -0.46 -3.26 0.00 0.00 -1.46 0.00 0.00 37.83 32.65 3chg s LYS 105 CO 0.51 -0.09 0.00 0.41 0.16 0.00 0.00 175.35 176.35 3chg n GLY 106 N 2.29 0.40 0.09 5.54 0.00 -1.26 -4.94 105.19 107.32 3chg n GLY 106 Ca 0.05 -1.06 0.02 0.00 0.00 0.00 0.00 46.02 45.03 3chg n GLY 106 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3chg n PHE 107 N -2.99 0.80 0.36 1.61 7.35 -1.14 -3.57 117.46 119.88 3chg n PHE 107 Ca 0.00 0.26 0.14 0.00 -0.76 0.00 0.00 57.45 57.09 3chg n PHE 107 Cb 0.01 -1.01 0.54 0.00 0.35 0.00 0.00 39.48 39.38 3chg n PHE 107 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 3chg h SER 108 N 0.00 0.00 0.05 -2.13 0.02 -1.83 -0.90 113.55 108.76 3chg h SER 108 Ca -0.16 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.41 3chg h SER 108 Cb 1.51 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 64.00 3chg h SER 108 CO 0.03 0.00 -2.22 1.17 -1.14 0.00 0.00 176.83 174.68 3chg n LYS 109 N -2.66 0.68 0.09 3.45 4.81 -1.26 -3.68 118.16 119.60 3chg n LYS 109 Ca 0.02 0.23 -0.03 0.00 -0.87 0.00 0.00 58.31 57.66 3chg n LYS 109 Cb 0.30 -1.61 0.17 0.00 0.02 0.00 0.00 35.03 33.92 3chg n LYS 109 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3chg h GLU 110 N -0.12 0.23 -2.16 1.64 5.08 -1.61 -3.36 114.58 114.28 3chg h GLU 110 Ca -0.51 -0.13 -0.57 0.00 -1.00 0.00 0.00 59.36 57.14 3chg h GLU 110 Cb 1.89 0.01 -0.39 0.00 0.50 0.00 0.00 28.75 30.76 3chg h GLU 110 CO -0.06 0.69 -1.00 1.04 -1.00 0.00 0.00 179.01 178.68 3chg n GLN 111 N -3.94 0.81 0.08 2.33 6.02 -0.35 -4.99 117.38 117.34 3chg n GLN 111 Ca -0.02 -3.41 0.18 0.00 -0.01 0.00 0.00 57.00 53.73 3chg n GLN 111 Cb 0.55 -1.48 0.70 0.00 1.02 0.00 0.00 30.24 31.03 3chg n GLN 111 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3chg h PRO 112 N 4.50 0.00 0.39 -1.09 0.13 -1.73 -3.02 132.00 131.19 3chg h PRO 112 Ca 0.14 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.25 3chg h PRO 112 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3chg h PRO 112 CO 0.49 0.00 -0.19 -0.97 -0.23 0.00 0.00 178.00 177.10 3chg h ASN 113 N 0.00 -0.45 -0.94 1.44 -0.00 -1.93 -3.02 115.58 110.69 3chg h ASN 113 Ca 0.18 0.02 0.04 0.00 -0.00 0.00 0.00 56.30 56.54 3chg h ASN 113 Cb 0.75 0.12 -0.06 0.00 -0.00 0.00 0.00 38.32 39.13 3chg h ASN 113 CO -0.00 -0.14 0.61 0.00 -0.00 0.00 0.00 177.43 177.90 3chg h ALA 114 N -1.39 1.26 -0.54 1.57 0.00 -1.93 0.62 119.26 118.84 3chg h ALA 114 Ca -0.05 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.91 3chg h ALA 114 Cb 0.40 -0.31 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 3chg h ALA 114 CO 0.09 0.44 0.14 0.00 0.00 0.00 0.00 179.25 179.92 3chg h ALA 115 N 1.40 0.63 0.00 0.00 0.00 -1.67 -1.26 119.26 118.37 3chg h ALA 115 Ca 0.38 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3chg h ALA 115 Cb 0.06 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3chg h ALA 115 CO -0.14 -0.27 0.00 1.17 0.00 0.00 0.00 179.25 180.01 3chg n LYS 116 N -5.08 0.33 -0.05 0.00 4.81 0.11 0.91 118.16 119.19 3chg n LYS 116 Ca 0.07 0.03 -0.09 0.00 -0.87 0.00 0.00 58.31 57.45 3chg n LYS 116 Cb 0.26 -1.50 -0.08 0.00 0.02 0.00 0.00 35.03 33.72 3chg n LYS 116 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 3chg h LEU 117 N 0.00 -0.01 0.34 3.14 6.46 -0.59 -3.39 115.31 121.26 3chg h LEU 117 Ca 0.00 -0.62 -0.00 0.00 -0.12 0.00 0.00 57.88 57.14 3chg h LEU 117 Cb 0.28 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.19 3chg h LEU 117 CO 0.00 0.79 -0.45 -0.07 -0.62 0.00 0.00 178.44 178.09 3chg h LEU 118 N -0.98 -1.27 -0.39 2.25 4.07 -0.32 -3.04 115.31 115.61 3chg h LEU 118 Ca -0.00 0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.07 3chg h LEU 118 Cb 0.64 0.44 0.00 0.00 1.08 0.00 0.00 40.66 42.82 3chg h LEU 118 CO 0.00 -0.58 0.41 -1.54 -1.08 0.00 0.00 178.44 175.66 3chg n SER 119 N -5.51 0.15 -0.07 -0.43 3.41 0.26 -0.36 113.62 111.07 3chg n SER 119 Ca -0.10 0.37 0.01 0.00 -0.26 0.00 0.00 58.87 58.89 3chg n SER 119 Cb 0.42 -0.28 0.01 0.00 -0.26 0.00 0.00 64.21 64.09 3chg n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3chg n GLN 120 N -1.71 0.13 -2.27 4.33 6.02 -1.15 -4.63 117.38 118.10 3chg n GLN 120 Ca -0.00 -0.83 -0.42 0.00 -0.01 0.00 0.00 57.00 55.73 3chg n GLN 120 Cb 0.42 -1.03 -0.02 0.00 1.02 0.00 0.00 30.24 30.63 3chg n GLN 120 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 3chg s PHE 121 N -0.34 2.21 0.16 1.08 5.36 0.51 -4.67 117.98 122.28 3chg s PHE 121 Ca 0.02 0.63 0.07 0.00 -0.96 0.00 0.00 56.93 56.69 3chg s PHE 121 Cb 0.01 -4.28 -0.04 0.00 -0.34 0.00 0.00 43.02 38.37 3chg s PHE 121 CO 0.02 -2.20 -0.14 0.15 -1.46 0.00 0.00 175.22 171.59 3chg s LYS 122 N 5.35 1.18 -0.27 10.12 1.02 -1.26 -3.78 119.74 132.08 3chg s LYS 122 Ca 0.64 -1.44 -0.38 0.00 0.02 0.00 0.00 55.97 54.81 3chg s LYS 122 Cb -0.15 -0.97 0.16 0.00 -0.52 0.00 0.00 37.83 36.35 3chg s LYS 122 CO 0.31 0.17 1.37 1.67 -0.92 0.00 0.00 175.35 177.94 3chg s TRP 123 N -2.71 -0.02 0.23 3.18 1.48 -0.75 -5.05 118.94 115.30 3chg s TRP 123 Ca 0.17 0.01 0.06 0.00 -1.06 0.00 0.00 56.10 55.28 3chg s TRP 123 Cb -0.02 0.50 -0.04 0.00 -1.16 0.00 0.00 33.47 32.76 3chg s TRP 123 CO 0.04 -0.03 0.21 0.95 -4.06 0.00 0.00 176.95 174.06 3chg s THR 124 N -2.07 4.59 0.62 0.66 -4.23 -1.26 -4.54 115.64 109.42 3chg s THR 124 Ca 0.12 -1.25 0.31 0.00 -1.18 0.00 0.00 61.69 59.69 3chg s THR 124 Cb -0.01 -3.45 0.36 0.00 1.34 0.00 0.00 72.50 70.74 3chg s THR 124 CO -0.03 -0.28 2.05 1.56 -0.54 0.00 0.00 174.62 177.38 3chg h GLN 125 N 1.68 0.00 0.04 3.99 4.20 -1.98 0.45 115.11 123.49 3chg h GLN 125 Ca -0.49 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.22 3chg h GLN 125 Cb 1.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.01 3chg h GLN 125 CO 0.62 0.00 -0.02 -0.44 -0.67 0.00 0.00 178.83 178.31 3chg h ASP 126 N 0.00 -0.05 0.20 1.46 3.45 -1.98 -2.58 116.42 116.92 3chg h ASP 126 Ca 0.07 -0.40 -0.11 0.00 0.43 0.00 0.00 57.03 57.03 3chg h ASP 126 Cb 0.60 0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.37 3chg h ASP 126 CO -0.00 0.38 -0.40 -0.33 -1.57 0.00 0.00 179.24 177.32 3chg h GLU 127 N -0.49 0.27 -0.05 3.56 5.08 -0.53 0.17 114.58 122.60 3chg h GLU 127 Ca -0.01 -0.13 -0.13 0.00 -1.00 0.00 0.00 59.36 58.10 3chg h GLU 127 Cb 0.44 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.70 3chg h GLU 127 CO 0.01 0.63 -0.48 1.98 -1.00 0.00 0.00 179.01 180.16 3chg h MET 128 N 0.23 0.41 -0.75 2.33 4.05 -1.47 -3.26 114.93 116.46 3chg h MET 128 Ca 0.02 -0.37 0.17 0.00 -0.28 0.00 0.00 59.70 59.24 3chg h MET 128 Cb 0.81 0.09 -0.12 0.00 -0.80 0.00 0.00 31.60 31.58 3chg h MET 128 CO 0.06 1.03 0.15 0.78 0.23 0.00 0.00 176.91 179.16 3chg h GLY 129 N -0.08 1.03 -0.98 1.39 0.00 -0.96 -0.98 103.07 102.48 3chg h GLY 129 Ca -0.05 -0.01 0.23 0.00 0.00 0.00 0.00 47.33 47.50 3chg h GLY 129 CO 0.10 -0.24 -0.15 -2.09 0.00 0.00 0.00 176.54 174.16 3chg h GLU 130 N 0.23 0.00 -0.02 4.80 4.81 -0.73 -0.57 114.58 123.10 3chg h GLU 130 Ca 0.43 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.62 3chg h GLU 130 Cb 0.76 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.14 3chg h GLU 130 CO -0.56 0.00 -0.15 0.82 -0.73 0.00 0.00 179.01 178.39 3chg h ILE 131 N 0.00 1.51 -0.12 2.32 2.04 -1.32 -3.36 117.51 118.59 3chg h ILE 131 Ca 0.52 -1.72 -0.08 0.00 1.00 0.00 0.00 64.86 64.58 3chg h ILE 131 Cb 0.92 2.58 -0.01 0.00 -0.74 0.00 0.00 36.82 39.57 3chg h ILE 131 CO -0.99 0.47 -0.29 -0.03 0.00 0.00 0.00 178.15 177.31 3chg h MET 132 N -0.49 0.22 -0.27 2.37 4.05 -0.47 -1.54 114.93 118.80 3chg h MET 132 Ca -0.01 -0.08 0.02 0.00 -0.28 0.00 0.00 59.70 59.35 3chg h MET 132 Cb 0.84 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.61 3chg h MET 132 CO 0.03 0.49 0.14 0.82 0.23 0.00 0.00 176.91 178.62 3chg h ILE 133 N 0.19 1.00 -0.26 1.77 2.04 -1.39 0.15 117.51 121.02 3chg h ILE 133 Ca 0.03 -0.10 -0.08 0.00 1.00 0.00 0.00 64.86 65.71 3chg h ILE 133 Cb 0.61 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 3chg h ILE 133 CO 0.04 0.05 -0.20 0.11 0.00 0.00 0.00 178.15 178.16 3chg h LYS 134 N 0.29 0.46 -0.40 2.37 1.79 -1.60 0.37 116.57 119.84 3chg h LYS 134 Ca 0.11 -0.15 -0.03 0.00 -2.18 0.00 0.00 60.65 58.40 3chg h LYS 134 Cb 0.03 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 3chg h LYS 134 CO -0.07 0.64 0.14 0.28 -1.08 0.00 0.00 179.45 179.36 3chg h VAL 135 N 0.41 1.21 0.00 0.50 2.07 -0.90 -2.25 116.25 117.30 3chg h VAL 135 Ca 0.07 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.92 3chg h VAL 135 Cb 0.58 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3chg h VAL 135 CO 0.04 0.24 0.00 -0.08 0.02 0.00 0.00 177.57 177.79 3chg h GLU 136 N 0.51 0.00 0.00 1.57 4.57 0.07 -0.48 114.58 120.82 3chg h GLU 136 Ca 0.13 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.28 3chg h GLU 136 Cb 0.23 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.82 3chg h GLU 136 CO -0.01 0.00 -0.17 1.49 -1.18 0.00 0.00 179.01 179.15 3chg h GLU 137 N 0.00 0.00 0.00 1.92 4.57 0.18 -3.47 114.58 117.79 3chg h GLU 137 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3chg h GLU 137 Cb 0.49 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 3chg h GLU 137 CO 0.00 0.17 0.00 0.41 -1.18 0.00 0.00 179.01 178.41 3chg n GLY 138 N -0.15 1.66 3.54 1.92 0.00 -0.19 -5.07 105.19 106.89 3chg n GLY 138 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3chg n GLY 138 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3chg n GLU 139 N -0.60 0.53 -2.59 1.61 2.13 -0.89 -4.93 120.64 115.89 3chg n GLU 139 Ca 0.00 0.22 -0.42 0.00 0.66 0.00 0.00 57.16 57.62 3chg n GLU 139 Cb 0.00 -1.97 -0.03 0.00 0.27 0.00 0.00 31.44 29.70 3chg n GLU 139 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3chg s LYS 140 N -2.76 4.54 0.60 5.31 -0.14 -1.26 -4.57 119.74 121.46 3chg s LYS 140 Ca 0.71 1.58 0.30 0.00 -1.36 0.00 0.00 55.97 57.20 3chg s LYS 140 Cb -0.38 -3.39 1.78 0.00 -1.68 0.00 0.00 37.83 34.16 3chg s LYS 140 CO 0.53 -0.06 2.17 -1.35 -0.76 0.00 0.00 175.35 175.88 3chg h PRO 141 N 6.41 0.00 0.12 -1.68 0.11 -1.95 -2.42 132.00 132.59 3chg h PRO 141 Ca -0.42 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.50 3chg h PRO 141 Cb 1.22 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.35 3chg h PRO 141 CO 0.76 0.00 -0.81 0.00 -0.21 0.00 0.00 178.00 177.74 3chg h ALA 142 N 1.86 -0.06 -0.31 -0.75 0.00 -1.93 -3.06 119.26 115.00 3chg h ALA 142 Ca 0.04 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 3chg h ALA 142 Cb 0.27 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3chg h ALA 142 CO -0.00 0.39 0.16 0.87 0.00 0.00 0.00 179.25 180.67 3chg h LYS 143 N -0.27 0.44 -0.34 0.00 1.57 -1.87 -1.52 116.57 114.58 3chg h LYS 143 Ca -0.13 -0.06 -0.12 0.00 -1.87 0.00 0.00 60.65 58.47 3chg h LYS 143 Cb 1.61 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.82 3chg h LYS 143 CO 0.15 0.39 -0.27 -0.24 -0.57 0.00 0.00 179.45 178.91 3chg h VAL 144 N 0.37 1.28 -0.91 0.50 3.04 -1.60 0.33 116.25 119.25 3chg h VAL 144 Ca 0.11 -1.39 0.02 0.00 -1.01 0.00 0.00 66.70 64.43 3chg h VAL 144 Cb 0.09 1.31 -0.05 0.00 -2.01 0.00 0.00 31.29 30.63 3chg h VAL 144 CO -0.02 0.46 0.60 0.00 -1.01 0.00 0.00 177.57 177.60 3chg h ALA 145 N 1.09 1.17 0.00 3.17 0.00 -1.40 0.24 119.26 123.53 3chg h ALA 145 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3chg h ALA 145 Cb 0.78 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3chg h ALA 145 CO 0.06 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.83 3chg h ALA 146 N 1.35 1.00 0.09 0.00 0.00 -0.97 -2.58 119.26 118.15 3chg h ALA 146 Ca 0.34 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.99 3chg h ALA 146 Cb -0.09 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.71 3chg h ALA 146 CO -0.09 0.00 -1.14 1.49 0.00 0.00 0.00 179.25 179.51 3chg h GLU 147 N 0.00 0.39 0.31 0.00 4.81 -0.05 -3.34 114.58 116.70 3chg h GLU 147 Ca 0.00 -0.53 -0.02 0.00 -0.13 0.00 0.00 59.36 58.68 3chg h GLU 147 Cb 0.83 0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.39 3chg h GLU 147 CO 0.00 1.21 -0.15 -0.92 -0.73 0.00 0.00 179.01 178.42 3chg h TYR 148 N 0.16 -0.39 0.00 0.92 3.20 -0.43 -2.00 116.97 118.43 3chg h TYR 148 Ca -0.13 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.73 3chg h TYR 148 Cb 1.83 0.13 0.00 0.00 1.54 0.00 0.00 36.73 40.23 3chg h TYR 148 CO 0.07 -0.11 0.16 1.55 -1.64 0.00 0.00 178.16 178.19 3chg n VAL 149 N -5.18 1.15 -0.10 1.81 3.14 -0.98 -1.30 118.33 116.86 3chg n VAL 149 Ca -0.10 0.61 -0.20 0.00 -2.96 0.00 0.00 64.34 61.69 3chg n VAL 149 Cb 0.24 -1.61 -0.12 0.00 -1.06 0.00 0.00 33.84 31.29 3chg n VAL 149 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 3chg n ASN 150 N -1.71 2.01 0.16 6.55 5.03 -1.02 -4.37 115.26 121.92 3chg n ASN 150 Ca -0.00 -0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.33 3chg n ASN 150 Cb 0.17 -0.57 -0.06 0.00 -1.02 0.00 0.00 39.78 38.30 3chg n ASN 150 CO 0.00 0.00 0.00 0.11 -1.83 0.00 0.00 177.26 175.54 3chg h LYS 151 N -0.08 -0.45 -5.89 3.52 1.57 -0.53 -3.35 116.57 111.36 3chg h LYS 151 Ca -0.55 0.03 -0.54 0.00 -1.87 0.00 0.00 60.65 57.73 3chg h LYS 151 Cb 1.90 0.10 -0.08 0.00 0.08 0.00 0.00 32.23 34.23 3chg h LYS 151 CO -0.07 -0.16 1.51 -1.01 -0.57 0.00 0.00 179.45 179.15 3chg s HIS 152 N -3.75 2.40 -0.05 -1.35 3.76 -0.42 -4.73 115.29 111.16 3chg s HIS 152 Ca -0.11 -0.65 -0.09 0.00 -0.15 0.00 0.00 55.06 54.06 3chg s HIS 152 Cb 0.01 -4.52 -0.30 0.00 1.11 0.00 0.00 32.58 28.89 3chg s HIS 152 CO 0.39 -1.78 0.67 0.87 -0.85 0.00 0.00 174.74 174.04 3chg h LYS 153 N 9.42 0.35 -0.05 1.40 1.57 -1.76 -3.39 116.57 124.11 3chg h LYS 153 Ca 0.25 -0.60 -0.05 0.00 -1.87 0.00 0.00 60.65 58.38 3chg h LYS 153 Cb 0.96 0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 3chg h LYS 153 CO 1.37 1.26 -0.20 -0.44 -0.57 0.00 0.00 179.45 180.87 3chg h ASP 154 N 0.10 0.08 0.01 0.86 3.45 -1.94 -3.13 116.42 115.84 3chg h ASP 154 Ca -0.33 -0.02 -0.21 0.00 0.43 0.00 0.00 57.03 56.89 3chg h ASP 154 Cb 2.08 -0.02 0.01 0.00 -0.56 0.00 0.00 39.33 40.84 3chg h ASP 154 CO 0.17 0.29 -0.79 -0.61 -1.57 0.00 0.00 179.24 176.73 3chg h GLN 155 N 0.08 0.66 0.00 3.56 4.15 -1.97 -3.15 115.11 118.44 3chg h GLN 155 Ca 0.01 -0.55 -0.09 0.00 0.77 0.00 0.00 58.65 58.80 3chg h GLN 155 Cb 0.41 0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 3chg h GLN 155 CO 0.03 1.17 -0.41 0.82 -1.93 0.00 0.00 178.83 178.51 3chg h ILE 156 N 0.44 1.23 -0.84 2.39 5.03 -1.73 -0.31 117.51 123.72 3chg h ILE 156 Ca -0.05 -1.43 0.10 0.00 -0.12 0.00 0.00 64.86 63.36 3chg h ILE 156 Cb 1.40 1.78 -0.08 0.00 -3.03 0.00 0.00 36.82 36.90 3chg h ILE 156 CO 0.15 0.40 0.49 0.00 -0.68 0.00 0.00 178.15 178.51 3chg h ALA 157 N 1.59 1.21 0.00 1.87 0.00 -1.53 0.10 119.26 122.51 3chg h ALA 157 Ca -0.00 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3chg h ALA 157 Cb 0.75 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3chg h ALA 157 CO 0.05 0.10 -0.96 0.93 0.00 0.00 0.00 179.25 179.38 3chg h GLU 158 N 0.80 0.00 -0.12 0.00 5.08 -1.55 -2.81 114.58 115.99 3chg h GLU 158 Ca 0.41 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.66 3chg h GLU 158 Cb 0.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3chg h GLU 158 CO -0.26 0.11 -0.42 -1.49 -1.00 0.00 0.00 179.01 175.96 3chg h TRP 159 N 0.00 0.31 -0.50 4.33 4.06 -0.51 -3.33 115.95 120.31 3chg h TRP 159 Ca -0.04 -0.09 -0.36 0.00 2.06 0.00 0.00 58.89 60.47 3chg h TRP 159 Cb 1.18 -0.07 -0.37 0.00 -1.00 0.00 0.00 29.16 28.90 3chg h TRP 159 CO 0.00 0.64 -0.92 0.25 -3.56 0.00 0.00 178.44 174.86 3chg n THR 160 N -4.02 1.84 -2.03 1.49 -2.24 0.31 -4.66 114.28 104.98 3chg n THR 160 Ca -0.02 -3.40 -0.42 0.00 -2.27 0.00 0.00 64.05 57.94 3chg n THR 160 Cb 0.49 0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.70 3chg n THR 160 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3chg s LYS 161 N -3.37 4.24 -1.05 -0.78 2.20 -1.06 -3.08 119.74 116.84 3chg s LYS 161 Ca 0.40 2.22 -0.03 0.00 -0.36 0.00 0.00 55.97 58.19 3chg s LYS 161 Cb 0.37 -3.47 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 3chg s LYS 161 CO -0.02 -0.64 0.44 0.41 -0.36 0.00 0.00 175.35 175.19 3chg n GLY 162 N 3.81 -0.13 3.04 5.54 0.00 -1.26 -5.00 105.19 111.19 3chg n GLY 162 Ca 0.14 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 3chg n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3chg s VAL 163 N -2.98 2.44 0.20 1.61 1.01 -1.18 -5.07 120.40 116.43 3chg s VAL 163 Ca 0.22 -2.23 -0.30 0.00 0.00 0.00 0.00 61.98 59.67 3chg s VAL 163 Cb -0.10 -2.74 -0.08 0.00 0.00 0.00 0.00 36.38 33.46 3chg s VAL 163 CO 0.27 -0.56 1.04 -1.10 0.00 0.00 0.00 175.10 174.75 3chg s GLN 164 N 0.96 4.68 0.57 2.72 -0.21 -1.26 -5.01 119.66 122.11 3chg s GLN 164 Ca 0.09 1.64 -0.21 0.00 0.02 0.00 0.00 55.36 56.90 3chg s GLN 164 Cb -0.20 -3.28 -0.05 0.00 1.00 0.00 0.00 33.01 30.49 3chg s GLN 164 CO -0.07 0.23 1.22 1.17 -2.12 0.00 0.00 175.29 175.72 3chg n LYS 165 N 2.00 1.37 -4.27 2.91 4.81 -1.26 -5.02 118.16 118.70 3chg n LYS 165 Ca 0.01 0.51 -0.23 0.00 -0.87 0.00 0.00 58.31 57.73 3chg n LYS 165 Cb 0.47 -2.43 -0.07 0.00 0.02 0.00 0.00 35.03 33.02 3chg n LYS 165 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 3chg s VAL 166 N -1.36 3.29 -1.04 3.15 -7.23 -0.88 -5.07 120.40 111.26 3chg s VAL 166 Ca 0.74 -1.90 -0.04 0.00 -1.81 0.00 0.00 61.98 58.97 3chg s VAL 166 Cb -0.42 -2.85 0.29 0.00 0.56 0.00 0.00 36.38 33.96 3chg s VAL 166 CO 0.48 -0.33 1.30 1.17 -0.31 0.00 0.00 175.10 177.40 3chg n LYS 167 N -0.93 4.00 -2.68 4.82 3.00 -1.26 -4.52 118.16 120.58 3chg n LYS 167 Ca -0.06 -4.54 -0.03 0.00 -0.00 0.00 0.00 58.31 53.68 3chg n LYS 167 Cb 0.60 -2.49 0.00 0.00 0.00 0.00 0.00 35.03 33.14 3chg n LYS 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3chg n GLY 168 N 1.65 -1.13 3.52 3.14 0.00 -1.22 -5.03 105.19 106.12 3chg n GLY 168 Ca 0.26 0.68 -0.34 0.00 0.00 0.00 0.00 46.02 46.61 3chg n GLY 168 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3chg s ASP 169 N -2.56 4.97 0.13 1.61 -0.00 -1.26 -4.86 116.67 114.70 3chg s ASP 169 Ca 0.10 -0.09 -0.30 0.00 -0.00 0.00 0.00 52.55 52.26 3chg s ASP 169 Cb -0.03 -1.82 -0.07 0.00 -0.00 0.00 0.00 42.92 41.00 3chg s ASP 169 CO 0.62 0.16 1.05 -0.54 -0.00 0.00 0.00 175.17 176.46 3chg s LYS 170 N 0.42 4.62 -0.11 8.23 1.02 -1.26 -0.00 119.74 132.66 3chg s LYS 170 Ca -0.02 1.61 -0.03 0.00 0.02 0.00 0.00 55.97 57.54 3chg s LYS 170 Cb -0.14 -3.33 0.05 0.00 -0.52 0.00 0.00 37.83 33.89 3chg s LYS 170 CO 0.02 0.09 0.12 -1.50 -0.92 0.00 0.00 175.35 173.17 3chg s ILE 171 N 0.02 -0.19 -0.36 2.17 2.07 -0.48 -4.89 121.20 119.54 3chg s ILE 171 Ca 0.49 0.20 -0.24 0.00 -1.41 0.00 0.00 60.65 59.69 3chg s ILE 171 Cb -0.27 -0.36 0.01 0.00 0.13 0.00 0.00 42.46 41.97 3chg s ILE 171 CO 0.32 0.01 0.83 0.21 -1.91 0.00 0.00 174.94 174.40 3chg s ASN 172 N 2.23 6.59 -0.14 4.50 3.04 -1.26 -2.25 114.94 127.64 3chg s ASN 172 Ca 0.04 0.43 -0.12 0.00 0.04 0.00 0.00 52.86 53.25 3chg s ASN 172 Cb -0.13 -2.42 -0.05 0.00 -1.54 0.00 0.00 41.25 37.11 3chg s ASN 172 CO -0.06 -0.77 0.24 -0.76 -3.04 0.00 0.00 177.10 172.71 3chg s LEU 173 N 3.21 4.29 0.04 3.21 1.43 -0.28 -2.27 118.68 128.32 3chg s LEU 173 Ca 0.33 0.49 0.01 0.00 -1.03 0.00 0.00 54.13 53.94 3chg s LEU 173 Cb -0.13 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 3chg s LEU 173 CO 0.17 0.20 0.11 0.00 0.23 0.00 0.00 176.35 177.07 3chg s ALA 174 N -0.03 3.68 0.22 4.21 0.00 -0.53 -1.28 121.76 128.03 3chg s ALA 174 Ca 0.15 -0.91 -0.20 0.00 0.00 0.00 0.00 51.96 50.99 3chg s ALA 174 Cb -0.13 -1.59 0.04 0.00 0.00 0.00 0.00 23.12 21.44 3chg s ALA 174 CO 0.04 0.74 0.62 1.52 0.00 0.00 0.00 175.76 178.68 3chg s TYR 175 N -1.34 -0.26 0.07 0.00 -0.85 -1.09 -4.06 117.35 109.82 3chg s TYR 175 Ca 0.28 -0.09 0.05 0.00 -0.52 0.00 0.00 57.07 56.80 3chg s TYR 175 Cb -0.12 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.73 3chg s TYR 175 CO 0.20 -1.02 -0.07 0.08 -1.52 0.00 0.00 175.55 173.22 3chg s VAL 176 N -3.86 3.56 -0.01 -3.49 1.01 -1.26 -2.30 120.40 114.05 3chg s VAL 176 Ca 0.08 -1.06 -0.05 0.00 0.00 0.00 0.00 61.98 60.94 3chg s VAL 176 Cb -0.03 -2.63 -0.24 0.00 0.00 0.00 0.00 36.38 33.49 3chg s VAL 176 CO -0.02 0.21 3.27 0.00 0.00 0.00 0.00 175.10 178.56 3chg n ALA 177 N 0.97 5.77 -2.15 5.51 0.00 -1.26 -4.51 120.51 124.84 3chg n ALA 177 Ca -0.14 -1.63 -0.40 0.00 0.00 0.00 0.00 53.44 51.27 3chg n ALA 177 Cb 0.52 -2.32 -0.05 0.00 0.00 0.00 0.00 19.45 17.60 3chg n ALA 177 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3chg s TRP 178 N 1.24 3.85 0.31 0.00 0.51 -1.26 -4.78 118.94 118.80 3chg s TRP 178 Ca 0.59 1.74 0.01 0.00 -2.12 0.00 0.00 56.10 56.33 3chg s TRP 178 Cb 0.28 -2.96 0.73 0.00 -0.81 0.00 0.00 33.47 30.72 3chg s TRP 178 CO -0.00 0.31 1.56 -0.25 -0.51 0.00 0.00 176.95 178.06 3chg n ASP 179 N 2.36 -0.14 -0.22 2.95 9.92 -1.26 0.43 116.55 130.60 3chg n ASP 179 Ca -0.01 1.70 -0.05 0.00 -0.53 0.00 0.00 54.79 55.90 3chg n ASP 179 Cb 0.49 -0.61 0.05 0.00 -0.64 0.00 0.00 41.12 40.41 3chg n ASP 179 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 3chg h SER 180 N 0.00 0.67 -0.18 -2.24 4.64 -1.93 -2.50 113.55 112.01 3chg h SER 180 Ca 0.59 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 3chg h SER 180 Cb 1.20 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3chg h SER 180 CO -0.95 0.48 0.00 -0.62 -0.87 0.00 0.00 176.83 174.87 3chg n GLU 181 N -4.68 1.49 -0.03 4.77 4.71 0.17 -1.86 120.64 125.20 3chg n GLU 181 Ca 0.05 -0.75 -0.05 0.00 -0.01 0.00 0.00 57.16 56.40 3chg n GLU 181 Cb 0.05 -1.23 -0.13 0.00 -1.01 0.00 0.00 31.44 29.12 3chg n GLU 181 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 3chg n ILE 182 N 0.06 1.34 0.09 -3.67 5.41 -0.75 -3.90 119.36 117.94 3chg n ILE 182 Ca 0.10 -0.77 -0.07 0.00 1.00 0.00 0.00 62.75 63.01 3chg n ILE 182 Cb 0.20 -0.75 -0.03 0.00 -0.71 0.00 0.00 39.64 38.35 3chg n ILE 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3chg h ALA 183 N 1.18 0.49 0.06 -1.39 0.00 -1.14 -3.25 119.26 115.23 3chg h ALA 183 Ca -0.30 -0.78 -0.34 0.00 0.00 0.00 0.00 54.91 53.49 3chg h ALA 183 Cb 1.89 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.54 3chg h ALA 183 CO 0.05 1.02 -1.91 -1.13 0.00 0.00 0.00 179.25 177.29 3chg n SER 184 N -3.55 2.02 0.22 0.00 3.41 -0.97 -3.49 113.62 111.25 3chg n SER 184 Ca -0.02 0.23 0.06 0.00 -0.26 0.00 0.00 58.87 58.88 3chg n SER 184 Cb 0.84 -0.83 0.51 0.00 -0.26 0.00 0.00 64.21 64.47 3chg n SER 184 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3chg h THR 185 N -0.32 1.08 0.06 6.66 2.02 -1.73 -0.15 112.91 120.53 3chg h THR 185 Ca -0.45 -0.73 -0.28 0.00 0.77 0.00 0.00 66.41 65.72 3chg h THR 185 Cb 1.78 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 69.57 3chg h THR 185 CO -0.06 0.20 -1.46 0.78 0.37 0.00 0.00 175.52 175.36 3chg h ASN 186 N 0.00 0.20 0.06 4.18 4.21 -1.74 0.11 115.58 122.60 3chg h ASN 186 Ca -0.00 -0.29 -0.28 0.00 1.21 0.00 0.00 56.30 56.94 3chg h ASN 186 Cb 0.38 -0.07 0.03 0.00 -1.12 0.00 0.00 38.32 37.54 3chg h ASN 186 CO 0.03 1.24 -1.12 1.62 -1.29 0.00 0.00 177.43 177.91 3chg h VAL 187 N 0.04 1.29 -0.53 2.81 3.04 -1.55 0.41 116.25 121.76 3chg h VAL 187 Ca -0.20 -2.34 -0.12 0.00 -1.01 0.00 0.00 66.70 63.04 3chg h VAL 187 Cb 1.96 2.54 -0.02 0.00 -2.01 0.00 0.00 31.29 33.76 3chg h VAL 187 CO 0.13 0.72 -0.14 0.40 -1.01 0.00 0.00 177.57 177.67 3chg h ILE 188 N 0.32 1.27 -0.60 3.17 1.08 -1.16 0.94 117.51 122.53 3chg h ILE 188 Ca -0.16 -1.30 0.03 0.00 -0.39 0.00 0.00 64.86 63.05 3chg h ILE 188 Cb 1.78 1.00 -0.03 0.00 -3.07 0.00 0.00 36.82 36.50 3chg h ILE 188 CO 0.22 0.45 0.40 1.23 -0.69 0.00 0.00 178.15 179.76 3chg h GLY 189 N 0.92 0.80 1.20 5.37 0.00 -0.70 -0.88 103.07 109.79 3chg h GLY 189 Ca 0.13 -0.27 -0.34 0.00 0.00 0.00 0.00 47.33 46.85 3chg h GLY 189 CO 0.05 0.24 -1.53 1.70 0.00 0.00 0.00 176.54 177.00 3chg h LYS 190 N 0.70 0.51 -0.62 4.80 3.11 0.15 -2.34 116.57 122.89 3chg h LYS 190 Ca 0.24 -0.87 -0.08 0.00 -2.81 0.00 0.00 60.65 57.13 3chg h LYS 190 Cb 0.09 0.33 -0.03 0.00 -1.00 0.00 0.00 32.23 31.62 3chg h LYS 190 CO -0.07 1.42 0.09 0.28 -2.81 0.00 0.00 179.45 178.36 3chg h VAL 191 N 0.14 1.26 -0.59 2.00 2.07 -0.77 -1.59 116.25 118.76 3chg h VAL 191 Ca -0.27 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.22 3chg h VAL 191 Cb 2.16 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 32.59 3chg h VAL 191 CO 0.26 0.38 0.30 -0.07 0.02 0.00 0.00 177.57 178.45 3chg h LEU 192 N 0.95 0.76 -1.74 2.57 3.38 -1.25 -3.00 115.31 116.98 3chg h LEU 192 Ca 0.19 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3chg h LEU 192 Cb 0.43 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3chg h LEU 192 CO 0.01 0.66 -0.03 -0.08 0.09 0.00 0.00 178.44 179.10 3chg h GLU 193 N 0.80 0.00 -0.00 1.13 4.81 -0.90 -1.92 114.58 118.50 3chg h GLU 193 Ca 0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 3chg h GLU 193 Cb 0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3chg h GLU 193 CO -0.03 0.03 -0.19 -0.25 -0.73 0.00 0.00 179.01 177.83 3chg n ASP 194 N -3.15 0.21 -1.13 1.04 8.00 -0.65 -3.30 116.55 117.57 3chg n ASP 194 Ca -0.00 0.17 0.10 0.00 0.71 0.00 0.00 54.79 55.77 3chg n ASP 194 Cb 0.27 -0.20 0.25 0.00 -0.02 0.00 0.00 41.12 41.42 3chg n ASP 194 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3chg n LEU 195 N -1.48 3.57 0.00 0.64 4.77 -0.73 -4.96 117.00 118.81 3chg n LEU 195 Ca 0.07 -1.87 0.00 0.00 -0.03 0.00 0.00 56.01 54.18 3chg n LEU 195 Cb 0.34 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 3chg n LEU 195 CO 0.30 0.86 0.00 0.61 -1.33 0.00 0.00 177.39 177.83 3chg n GLY 196 N 1.34 0.69 3.76 -0.72 0.00 -1.21 -2.07 105.19 106.98 3chg n GLY 196 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 3chg n GLY 196 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3chg s TYR 197 N -2.67 2.53 -0.55 1.61 1.51 -1.18 -3.37 117.35 115.22 3chg s TYR 197 Ca 0.00 1.51 -0.16 0.00 -1.01 0.00 0.00 57.07 57.41 3chg s TYR 197 Cb 0.00 -3.45 0.13 0.00 -0.11 0.00 0.00 41.96 38.53 3chg s TYR 197 CO 0.00 -2.01 0.51 -2.00 -1.11 0.00 0.00 175.55 170.94 3chg s GLU 198 N -3.17 3.01 -0.22 -0.62 2.12 0.99 -4.54 118.70 116.28 3chg s GLU 198 Ca 0.73 -1.75 -0.21 0.00 0.36 0.00 0.00 54.97 54.10 3chg s GLU 198 Cb -0.30 -4.30 -0.02 0.00 0.26 0.00 0.00 34.13 29.77 3chg s GLU 198 CO 0.33 -1.33 0.66 0.08 -0.54 0.00 0.00 175.26 174.47 3chg s VAL 199 N 1.52 4.98 -0.23 3.70 1.01 -1.26 -1.38 120.40 128.74 3chg s VAL 199 Ca 0.04 1.23 -0.10 0.00 0.00 0.00 0.00 61.98 63.15 3chg s VAL 199 Cb -0.29 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 3chg s VAL 199 CO 0.02 0.06 0.14 0.42 0.00 0.00 0.00 175.10 175.74 3chg s THR 200 N 2.22 5.15 -0.33 3.92 -4.23 -0.96 -4.99 115.64 116.43 3chg s THR 200 Ca 0.29 0.11 -0.11 0.00 -1.18 0.00 0.00 61.69 60.79 3chg s THR 200 Cb -0.16 -3.40 -0.01 0.00 1.34 0.00 0.00 72.50 70.28 3chg s THR 200 CO 0.09 0.36 0.20 -0.76 -0.54 0.00 0.00 174.62 173.97 3chg s LEU 201 N 1.05 4.37 -0.30 4.79 1.43 -1.26 -1.13 118.68 127.63 3chg s LEU 201 Ca 0.07 -0.52 -0.09 0.00 -1.03 0.00 0.00 54.13 52.56 3chg s LEU 201 Cb -0.14 -2.07 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 3chg s LEU 201 CO 0.04 -0.23 0.13 -0.89 0.23 0.00 0.00 176.35 175.63 3chg s THR 202 N 1.66 4.50 -0.28 5.49 2.01 -0.40 -5.00 115.64 123.61 3chg s THR 202 Ca 0.05 -0.39 -0.21 0.00 0.31 0.00 0.00 61.69 61.44 3chg s THR 202 Cb -0.17 -3.26 -0.01 0.00 0.01 0.00 0.00 72.50 69.06 3chg s THR 202 CO 0.08 0.12 0.68 -1.58 -0.69 0.00 0.00 174.62 173.23 3chg s GLN 203 N 1.60 4.00 0.00 4.92 0.74 -1.26 -2.66 119.66 127.00 3chg s GLN 203 Ca 0.05 0.49 0.00 0.00 0.05 0.00 0.00 55.36 55.95 3chg s GLN 203 Cb -0.17 -3.70 0.00 0.00 1.10 0.00 0.00 33.01 30.25 3chg s GLN 203 CO 0.06 -0.54 0.00 1.33 -0.55 0.00 0.00 175.29 175.59 3chg n VAL 204 N 5.35 0.00 -4.06 1.34 0.24 -0.97 -5.03 118.33 115.20 3chg n VAL 204 Ca 0.01 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.22 3chg n VAL 204 Cb 0.49 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.75 3chg n VAL 204 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3chg s GLU 205 N 4.87 0.53 -0.14 7.34 2.02 -1.26 -4.66 118.70 127.39 3chg s GLU 205 Ca 0.00 -0.96 -0.35 0.00 0.02 0.00 0.00 54.97 53.68 3chg s GLU 205 Cb 0.00 0.05 -0.12 0.00 0.10 0.00 0.00 34.13 34.15 3chg s GLU 205 CO 0.00 -0.05 1.87 0.00 0.02 0.00 0.00 175.26 177.09 3chg n ALA 206 N 0.79 0.66 0.00 5.21 0.00 -1.26 -0.26 120.51 125.65 3chg n ALA 206 Ca -0.18 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3chg n ALA 206 Cb 0.58 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.58 3chg n ALA 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3chg n GLY 207 N 4.43 1.93 0.39 0.00 0.00 -1.26 -4.66 105.19 106.02 3chg n GLY 207 Ca 0.24 -0.79 0.21 0.00 0.00 0.00 0.00 46.02 45.67 3chg n GLY 207 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3chg h PRO 208 N 0.00 0.00 -0.29 1.61 0.11 -1.97 0.12 132.00 131.57 3chg h PRO 208 Ca 0.00 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.17 3chg h PRO 208 Cb 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.04 3chg h PRO 208 CO 0.00 0.00 -0.14 1.98 -0.21 0.00 0.00 178.00 179.63 3chg h MET 209 N 0.00 -0.09 -0.32 1.05 4.05 -0.93 0.66 114.93 119.35 3chg h MET 209 Ca 0.22 0.01 -0.16 0.00 -0.28 0.00 0.00 59.70 59.49 3chg h MET 209 Cb 1.04 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.85 3chg h MET 209 CO -0.00 -0.06 -0.43 -1.49 0.23 0.00 0.00 176.91 175.16 3chg h TRP 210 N -0.10 0.97 0.52 1.39 4.06 -1.05 -2.88 115.95 118.86 3chg h TRP 210 Ca 0.15 -0.30 -0.01 0.00 2.06 0.00 0.00 58.89 60.79 3chg h TRP 210 Cb 0.32 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 28.26 3chg h TRP 210 CO -0.33 1.08 -0.49 1.15 -3.56 0.00 0.00 178.44 176.29 3chg h THR 211 N 0.65 0.04 -1.34 1.49 2.02 -0.92 -1.16 112.91 113.68 3chg h THR 211 Ca 0.05 0.00 0.41 0.00 0.77 0.00 0.00 66.41 67.63 3chg h THR 211 Cb 0.99 0.04 -0.10 0.00 -1.74 0.00 0.00 68.15 67.34 3chg h THR 211 CO 0.10 0.00 0.91 0.00 0.37 0.00 0.00 175.52 176.89 3chg h ALA 212 N -0.84 2.89 0.00 6.16 0.00 0.44 -0.14 119.26 127.77 3chg h ALA 212 Ca -0.06 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3chg h ALA 212 Cb 0.87 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3chg h ALA 212 CO -0.05 -1.41 -0.56 0.82 0.00 0.00 0.00 179.25 178.05 3chg h ILE 213 N 0.12 1.11 -0.74 0.00 1.08 -1.27 0.70 117.51 118.50 3chg h ILE 213 Ca 0.74 -2.03 0.01 0.00 -0.39 0.00 0.00 64.86 63.19 3chg h ILE 213 Cb 2.49 2.30 -0.04 0.00 -3.07 0.00 0.00 36.82 38.50 3chg h ILE 213 CO -0.25 0.38 0.49 0.00 -0.69 0.00 0.00 178.15 178.07 3chg h ALA 214 N -0.38 0.94 0.00 1.87 0.00 -0.57 -1.14 119.26 119.97 3chg h ALA 214 Ca -0.14 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3chg h ALA 214 Cb 0.99 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3chg h ALA 214 CO -0.09 0.37 0.00 1.79 0.00 0.00 0.00 179.25 181.32 3chg h THR 215 N 1.01 0.00 -0.77 0.00 1.35 -1.22 -3.45 112.91 109.83 3chg h THR 215 Ca 0.27 -0.66 -0.05 0.00 -0.55 0.00 0.00 66.41 65.42 3chg h THR 215 Cb -0.11 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 3chg h THR 215 CO -0.06 0.00 -0.07 0.61 -0.25 0.00 0.00 175.52 175.75 3chg n GLY 216 N 0.43 0.43 0.52 5.82 0.00 -0.43 -4.94 105.19 107.02 3chg n GLY 216 Ca 0.02 -0.71 0.13 0.00 0.00 0.00 0.00 46.02 45.46 3chg n GLY 216 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3chg n SER 217 N 1.32 1.74 -4.25 1.61 3.41 0.22 -4.80 113.62 112.88 3chg n SER 217 Ca -0.02 -1.45 -0.14 0.00 -0.26 0.00 0.00 58.87 57.01 3chg n SER 217 Cb 0.52 0.09 -0.10 0.00 -0.26 0.00 0.00 64.21 64.46 3chg n SER 217 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3chg s ALA 218 N -2.19 1.39 -0.26 7.33 0.00 0.04 -4.98 121.76 123.10 3chg s ALA 218 Ca 0.30 -1.61 -0.10 0.00 0.00 0.00 0.00 51.96 50.55 3chg s ALA 218 Cb 0.20 0.57 -0.12 0.00 0.00 0.00 0.00 23.12 23.77 3chg s ALA 218 CO 0.40 -0.32 -0.31 -0.25 0.00 0.00 0.00 175.76 175.28 3chg n ASP 219 N -0.26 1.90 -3.84 0.00 10.43 -0.96 -4.49 116.55 119.32 3chg n ASP 219 Ca -0.06 0.22 -0.13 0.00 2.57 0.00 0.00 54.79 57.39 3chg n ASP 219 Cb 0.63 -0.69 -0.14 0.00 1.84 0.00 0.00 41.12 42.77 3chg n ASP 219 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3chg s ALA 220 N -2.48 -0.06 0.06 2.24 0.00 -1.08 -0.45 121.76 119.98 3chg s ALA 220 Ca -0.36 0.15 0.01 0.00 0.00 0.00 0.00 51.96 51.77 3chg s ALA 220 Cb 0.13 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.12 3chg s ALA 220 CO 0.48 -0.04 -0.06 0.45 0.00 0.00 0.00 175.76 176.59 3chg s SER 221 N 0.23 0.85 0.00 0.00 0.15 0.11 -1.45 113.70 113.59 3chg s SER 221 Ca -0.02 -0.75 0.17 0.00 0.70 0.00 0.00 55.95 56.05 3chg s SER 221 Cb -0.03 0.08 0.29 0.00 -1.71 0.00 0.00 66.02 64.65 3chg s SER 221 CO -0.01 -0.35 1.11 0.00 1.20 0.00 0.00 173.24 175.19 3chg n LEU 222 N 0.81 0.64 -1.01 3.45 -0.00 -1.26 0.22 117.00 119.85 3chg n LEU 222 Ca -0.18 -1.69 0.06 0.00 -0.00 0.00 0.00 56.01 54.19 3chg n LEU 222 Cb 0.57 0.00 0.21 0.00 -0.00 0.00 0.00 43.42 44.20 3chg n LEU 222 CO 0.25 0.46 0.64 -1.20 -0.00 0.00 0.00 177.39 177.54 3chg n SER 223 N 0.33 2.91 -4.60 1.45 7.64 -1.26 -4.73 113.62 115.36 3chg n SER 223 Ca 0.03 -2.23 -0.40 0.00 1.01 0.00 0.00 58.87 57.29 3chg n SER 223 Cb 1.00 -0.42 -0.08 0.00 -1.01 0.00 0.00 64.21 63.69 3chg n SER 223 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3chg s ALA 224 N -1.68 3.56 -0.26 -0.43 0.00 -1.24 -4.96 121.76 116.76 3chg s ALA 224 Ca 0.30 -0.76 -0.06 0.00 0.00 0.00 0.00 51.96 51.44 3chg s ALA 224 Cb 0.19 -2.83 -0.00 0.00 0.00 0.00 0.00 23.12 20.48 3chg s ALA 224 CO 0.15 -0.77 0.04 -1.58 0.00 0.00 0.00 175.76 173.60 3chg s TRP 225 N 2.21 3.08 0.10 0.00 0.52 -1.26 0.12 118.94 123.70 3chg s TRP 225 Ca 0.18 -0.85 0.00 0.00 0.02 0.00 0.00 56.10 55.45 3chg s TRP 225 Cb -0.16 -2.20 -0.04 0.00 -1.15 0.00 0.00 33.47 29.92 3chg s TRP 225 CO 0.10 -0.52 -0.01 -0.51 0.02 0.00 0.00 176.95 176.03 3chg s LEU 226 N 1.52 2.27 0.00 2.99 1.43 0.06 -0.49 118.68 126.46 3chg s LEU 226 Ca 0.04 -1.07 0.26 0.00 -1.03 0.00 0.00 54.13 52.33 3chg s LEU 226 Cb -0.16 0.12 0.66 0.00 0.03 0.00 0.00 46.19 46.84 3chg s LEU 226 CO 0.01 -0.59 1.51 -0.81 0.23 0.00 0.00 176.35 176.70 3chg n PRO 227 N -0.02 0.36 -0.10 1.29 -0.04 -1.26 0.90 135.00 136.12 3chg n PRO 227 Ca -0.10 -0.20 -0.18 0.00 -0.04 0.00 0.00 63.50 62.97 3chg n PRO 227 Cb 0.62 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.50 3chg n PRO 227 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3chg n ASN 228 N -1.14 1.88 0.16 3.54 4.05 -1.26 -3.49 115.26 118.99 3chg n ASN 228 Ca 0.09 0.44 -0.14 0.00 0.45 0.00 0.00 54.58 55.42 3chg n ASN 228 Cb 0.34 -0.89 -0.07 0.00 1.23 0.00 0.00 39.78 40.39 3chg n ASN 228 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 3chg h THR 229 N -1.00 0.30 -0.97 -0.44 2.02 -1.89 -2.49 112.91 108.43 3chg h THR 229 Ca -0.31 0.00 -0.65 0.00 0.77 0.00 0.00 66.41 66.22 3chg h THR 229 Cb 1.16 0.30 -0.30 0.00 -1.74 0.00 0.00 68.15 67.57 3chg h THR 229 CO -0.19 0.00 0.73 1.41 0.37 0.00 0.00 175.52 177.84 3chg n HIS 230 N -5.43 3.16 0.01 3.16 8.25 0.36 -4.44 115.22 120.29 3chg n HIS 230 Ca -0.08 -2.84 -0.10 0.00 -0.26 0.00 0.00 57.72 54.44 3chg n HIS 230 Cb 0.34 -1.32 -0.03 0.00 1.12 0.00 0.00 29.99 30.10 3chg n HIS 230 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 3chg h LYS 231 N 1.89 -0.20 -0.53 -0.41 3.64 -1.48 -1.90 116.57 117.58 3chg h LYS 231 Ca 0.59 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 60.03 3chg h LYS 231 Cb 1.09 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.91 3chg h LYS 231 CO 1.48 -0.13 0.27 0.00 -2.27 0.00 0.00 179.45 178.79 3chg h ALA 232 N 0.81 0.68 -0.13 5.00 0.00 -1.83 0.05 119.26 123.84 3chg h ALA 232 Ca 0.08 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3chg h ALA 232 Cb 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3chg h ALA 232 CO -0.21 -0.07 -0.35 1.88 0.00 0.00 0.00 179.25 180.49 3chg h TYR 233 N 0.52 0.60 -0.97 0.00 0.05 -1.93 -1.69 116.97 113.55 3chg h TYR 233 Ca 0.24 -0.23 0.22 0.00 0.05 0.00 0.00 58.73 59.00 3chg h TYR 233 Cb 0.15 -0.10 -0.08 0.00 1.01 0.00 0.00 36.73 37.70 3chg h TYR 233 CO -0.10 0.97 0.63 0.00 -1.05 0.00 0.00 178.16 178.61 3chg h ALA 234 N 0.52 2.12 0.01 3.88 0.00 -0.71 0.22 119.26 125.30 3chg h ALA 234 Ca -0.01 0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.70 3chg h ALA 234 Cb 0.97 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3chg h ALA 234 CO 0.08 -0.46 -1.28 0.00 0.00 0.00 0.00 179.25 177.59 3chg h ALA 235 N 1.62 0.47 -0.40 0.00 0.00 -0.99 -3.17 119.26 116.78 3chg h ALA 235 Ca 0.54 -1.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.21 3chg h ALA 235 Cb 1.24 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3chg h ALA 235 CO -0.26 1.34 -0.25 -0.22 0.00 0.00 0.00 179.25 179.86 3chg h LYS 236 N 0.01 0.88 -3.78 0.00 3.64 0.33 -3.27 116.57 114.38 3chg h LYS 236 Ca -0.12 -0.41 -0.67 0.00 -1.27 0.00 0.00 60.65 58.18 3chg h LYS 236 Cb 1.88 -0.01 -0.38 0.00 -0.41 0.00 0.00 32.23 33.30 3chg h LYS 236 CO 0.12 1.06 -0.56 0.71 -2.27 0.00 0.00 179.45 178.51 3chg s TYR 237 N -4.55 3.39 0.00 1.91 2.02 -0.14 -5.01 117.35 114.96 3chg s TYR 237 Ca -0.12 -2.94 0.00 0.00 -0.37 0.00 0.00 57.07 53.65 3chg s TYR 237 Cb 0.11 -2.99 0.00 0.00 -0.40 0.00 0.00 41.96 38.68 3chg s TYR 237 CO 0.86 -0.83 0.00 0.36 -1.57 0.00 0.00 175.55 174.37 3chg n LYS 238 N 3.56 0.00 -0.66 -0.62 2.85 -1.20 -4.59 118.16 117.50 3chg n LYS 238 Ca 0.05 0.22 -0.12 0.00 -1.05 0.00 0.00 58.31 57.42 3chg n LYS 238 Cb 0.36 -0.67 0.05 0.00 -0.65 0.00 0.00 35.03 34.12 3chg n LYS 238 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3chg n GLY 239 N 2.09 3.43 0.34 2.58 0.00 -1.26 -3.88 105.19 108.49 3chg n GLY 239 Ca 0.00 -0.68 0.01 0.00 0.00 0.00 0.00 46.02 45.35 3chg n GLY 239 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3chg n LYS 240 N 0.21 0.29 -4.26 1.61 5.02 -1.26 -5.07 118.16 114.70 3chg n LYS 240 Ca 0.24 -1.17 -0.16 0.00 -2.02 0.00 0.00 58.31 55.21 3chg n LYS 240 Cb 0.76 -0.66 -0.09 0.00 -0.02 0.00 0.00 35.03 35.01 3chg n LYS 240 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 3chg s TYR 241 N -0.45 1.45 -0.33 2.13 -0.85 -1.25 -4.30 117.35 113.74 3chg s TYR 241 Ca 0.05 -1.46 0.04 0.00 -0.52 0.00 0.00 57.07 55.18 3chg s TYR 241 Cb 0.04 -0.69 0.10 0.00 0.38 0.00 0.00 41.96 41.79 3chg s TYR 241 CO 0.00 -0.67 0.04 -0.51 -1.52 0.00 0.00 175.55 172.90 3chg s ASP 242 N -3.28 4.69 -0.43 -0.18 -0.00 0.46 -4.76 116.67 113.18 3chg s ASP 242 Ca 0.39 -2.07 -0.22 0.00 -0.00 0.00 0.00 52.55 50.65 3chg s ASP 242 Cb 0.05 -1.57 0.02 0.00 -0.00 0.00 0.00 42.92 41.42 3chg s ASP 242 CO 0.18 -0.37 0.69 -0.62 -0.00 0.00 0.00 175.17 175.05 3chg s ASP 243 N 0.96 6.37 0.00 0.27 -1.08 -1.26 0.66 116.67 122.59 3chg s ASP 243 Ca 0.10 -0.21 0.00 0.00 -0.52 0.00 0.00 52.55 51.92 3chg s ASP 243 Cb -0.19 -2.34 0.00 0.00 -1.46 0.00 0.00 42.92 38.93 3chg s ASP 243 CO -0.09 -0.81 0.00 2.30 0.52 0.00 0.00 175.17 177.09 3chg n ILE 244 N 5.92 0.00 -3.71 4.11 -0.00 -1.09 -5.03 119.36 119.56 3chg n ILE 244 Ca -0.00 -0.21 -0.10 0.00 -0.00 0.00 0.00 62.75 62.44 3chg n ILE 244 Cb 0.48 0.75 -0.06 0.00 -0.00 0.00 0.00 39.64 40.81 3chg n ILE 244 CO 0.00 0.00 0.00 -0.83 -0.00 0.00 0.00 176.55 175.72 3chg s GLY 245 N -0.95 -0.15 -0.31 3.28 0.00 -1.11 -4.73 107.32 103.35 3chg s GLY 245 Ca 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 44.72 44.49 3chg s GLY 245 CO 0.00 -0.45 0.10 -1.59 0.00 0.00 0.00 173.10 171.16 3chg s THR 246 N -3.70 0.78 0.32 0.90 2.01 -1.26 -0.18 115.64 114.52 3chg s THR 246 Ca 0.03 -1.33 0.01 0.00 0.31 0.00 0.00 61.69 60.70 3chg s THR 246 Cb 0.03 -1.60 0.21 0.00 0.01 0.00 0.00 72.50 71.15 3chg s THR 246 CO -0.11 -0.68 1.92 0.28 -0.69 0.00 0.00 174.62 175.34 3chg h SER 247 N 8.12 0.73 -5.38 3.53 0.02 -1.23 -3.45 113.55 115.89 3chg h SER 247 Ca -0.14 -0.07 -0.15 0.00 -0.84 0.00 0.00 61.79 60.58 3chg h SER 247 Cb 1.01 -0.19 -0.14 0.00 0.14 0.00 0.00 62.40 63.23 3chg h SER 247 CO 0.47 0.63 -0.49 -0.04 -1.14 0.00 0.00 176.83 176.26 3chg s MET 248 N -5.45 1.09 0.29 3.45 -1.94 -1.18 -1.80 119.30 113.76 3chg s MET 248 Ca -0.10 -1.36 0.02 0.00 -1.71 0.00 0.00 55.69 52.55 3chg s MET 248 Cb 0.17 0.31 -0.04 0.00 2.01 0.00 0.00 34.83 37.27 3chg s MET 248 CO 0.78 -0.36 0.14 0.95 -0.01 0.00 0.00 175.02 176.51 3chg s THR 249 N -4.03 0.40 -1.37 2.05 -4.23 -1.26 -3.33 115.64 103.86 3chg s THR 249 Ca 0.24 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.71 3chg s THR 249 Cb 0.05 -2.55 0.02 0.00 1.34 0.00 0.00 72.50 71.37 3chg s THR 249 CO 0.03 0.00 0.79 0.61 -0.54 0.00 0.00 174.62 175.51 3chg n GLY 250 N -0.54 -0.35 3.58 3.99 0.00 -1.22 -4.98 105.19 105.66 3chg n GLY 250 Ca 0.01 0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3chg n GLY 250 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3chg s VAL 251 N -3.56 5.10 0.28 1.61 -7.23 -1.11 -4.96 120.40 110.54 3chg s VAL 251 Ca 0.20 0.43 0.04 0.00 -1.81 0.00 0.00 61.98 60.84 3chg s VAL 251 Cb -0.10 -3.83 -0.03 0.00 0.56 0.00 0.00 36.38 32.98 3chg s VAL 251 CO 0.81 -0.03 0.43 -0.54 -0.31 0.00 0.00 175.10 175.46 3chg s LYS 252 N 2.20 3.39 -0.04 4.82 -0.14 -1.21 -4.60 119.74 124.16 3chg s LYS 252 Ca 0.16 -0.69 -0.29 0.00 -1.36 0.00 0.00 55.97 53.79 3chg s LYS 252 Cb -0.16 -2.82 0.11 0.00 -1.68 0.00 0.00 37.83 33.28 3chg s LYS 252 CO 0.11 0.30 0.90 0.00 -0.76 0.00 0.00 175.35 175.90 3chg s MET 253 N -4.10 0.78 0.00 1.68 0.23 -1.26 0.23 119.30 116.86 3chg s MET 253 Ca 0.37 -0.17 0.00 0.00 -1.03 0.00 0.00 55.69 54.86 3chg s MET 253 Cb -0.09 0.36 0.00 0.00 -1.53 0.00 0.00 34.83 33.57 3chg s MET 253 CO 0.31 -0.32 0.00 0.41 -2.03 0.00 0.00 175.02 173.39 3chg n GLY 254 N 0.04 -0.01 3.77 3.16 0.00 -0.61 -4.89 105.19 106.64 3chg n GLY 254 Ca -0.10 -1.19 -0.38 0.00 0.00 0.00 0.00 46.02 44.35 3chg n GLY 254 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3chg s LEU 255 N 0.00 4.45 -0.02 0.99 1.43 -1.26 -0.09 118.68 124.18 3chg s LEU 255 Ca 0.00 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.08 3chg s LEU 255 Cb 0.00 -3.84 0.02 0.00 0.03 0.00 0.00 46.19 42.40 3chg s LEU 255 CO 0.00 -0.07 0.01 -0.69 0.23 0.00 0.00 176.35 175.83 3chg s VAL 256 N -1.41 0.05 0.22 -1.59 1.01 0.94 -3.51 120.40 116.12 3chg s VAL 256 Ca 0.47 0.11 0.11 0.00 0.00 0.00 0.00 61.98 62.67 3chg s VAL 256 Cb -0.24 -0.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.96 3chg s VAL 256 CO 0.30 0.09 -0.20 0.68 0.00 0.00 0.00 175.10 175.97 3chg s VAL 257 N 0.78 2.22 0.54 2.92 -7.23 -1.17 -1.21 120.40 117.26 3chg s VAL 257 Ca -0.07 -2.16 -0.18 0.00 -1.81 0.00 0.00 61.98 57.75 3chg s VAL 257 Cb -0.10 -2.12 -0.06 0.00 0.56 0.00 0.00 36.38 34.66 3chg s VAL 257 CO -0.02 -0.31 1.07 -2.16 -0.31 0.00 0.00 175.10 173.37 3chg s PRO 258 N -3.10 3.47 0.43 4.82 0.04 -1.26 -2.04 135.00 137.37 3chg s PRO 258 Ca 0.23 1.38 0.10 0.00 0.04 0.00 0.00 61.00 62.75 3chg s PRO 258 Cb -0.06 -2.04 0.95 0.00 0.04 0.00 0.00 34.50 33.39 3chg s PRO 258 CO 0.11 -0.71 2.06 1.96 0.04 0.00 0.00 177.00 180.46 3chg h GLN 259 N 1.03 0.43 -0.01 4.56 4.20 -1.71 -2.78 115.11 120.83 3chg h GLN 259 Ca -0.49 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.20 3chg h GLN 259 Cb 1.23 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.92 3chg h GLN 259 CO 0.58 0.28 0.00 2.48 -0.67 0.00 0.00 178.83 181.50 3chg n TYR 260 N -4.48 0.00 -1.90 2.96 0.18 -1.26 -3.25 117.16 109.41 3chg n TYR 260 Ca 0.03 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 59.42 3chg n TYR 260 Cb 0.12 -0.00 0.03 0.00 -0.38 0.00 0.00 39.34 39.10 3chg n TYR 260 CO 0.00 0.00 0.00 -1.33 -2.08 0.00 0.00 176.86 173.45 3chg n MET 261 N -0.48 2.80 -0.37 -3.48 2.81 -1.05 -4.82 117.12 112.53 3chg n MET 261 Ca 0.00 -3.44 0.35 0.00 -1.81 0.00 0.00 57.70 52.80 3chg n MET 261 Cb 0.00 -2.26 0.71 0.00 -0.71 0.00 0.00 33.22 30.96 3chg n MET 261 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 3chg h LYS 262 N 3.04 0.07 0.00 0.03 2.10 -1.85 0.34 116.57 120.29 3chg h LYS 262 Ca 0.55 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.20 3chg h LYS 262 Cb 0.10 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 3chg h LYS 262 CO 1.38 0.05 0.00 -0.97 -2.00 0.00 0.00 179.45 177.90 3chg h ASN 263 N 0.07 0.00 -3.36 7.07 -1.24 -1.92 -3.42 115.58 112.78 3chg h ASN 263 Ca 0.63 0.00 -0.67 0.00 0.71 0.00 0.00 56.30 56.97 3chg h ASN 263 Cb 2.32 0.00 -0.14 0.00 0.73 0.00 0.00 38.32 41.23 3chg h ASN 263 CO -0.08 0.00 -0.64 -0.69 -1.29 0.00 0.00 177.43 174.72 3chg s VAL 264 N -3.56 4.15 0.00 2.57 1.01 0.12 -4.99 120.40 119.69 3chg s VAL 264 Ca 0.02 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.38 3chg s VAL 264 Cb 0.09 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.62 3chg s VAL 264 CO 0.46 0.37 0.00 0.59 0.00 0.00 0.00 175.10 176.52 3chg n ASN 265 N 1.37 0.00 -3.98 3.32 3.02 -1.26 -4.90 115.26 112.83 3chg n ASN 265 Ca -0.14 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.31 3chg n ASN 265 Cb 0.53 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.62 3chg n ASN 265 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3chg s SER 266 N 0.00 0.07 0.11 6.41 0.15 -1.26 -2.52 113.70 116.65 3chg s SER 266 Ca 0.00 -0.91 -0.31 0.00 0.70 0.00 0.00 55.95 55.43 3chg s SER 266 Cb 0.00 0.42 -0.11 0.00 -1.71 0.00 0.00 66.02 64.62 3chg s SER 266 CO 0.00 -0.87 1.60 0.40 1.20 0.00 0.00 173.24 175.57 3chg h ILE 267 N 2.58 0.22 -0.96 6.45 2.04 -1.66 -2.12 117.51 124.06 3chg h ILE 267 Ca -0.32 0.00 0.26 0.00 1.00 0.00 0.00 64.86 65.80 3chg h ILE 267 Cb 1.22 0.22 -0.14 0.00 -0.74 0.00 0.00 36.82 37.39 3chg h ILE 267 CO 0.49 0.00 0.48 1.05 0.00 0.00 0.00 178.15 180.18 3chg h GLU 268 N -0.68 0.39 -0.13 2.37 4.11 -1.89 0.40 114.58 119.13 3chg h GLU 268 Ca 0.00 -0.02 0.04 0.00 0.07 0.00 0.00 59.36 59.45 3chg h GLU 268 Cb 0.67 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3chg h GLU 268 CO -0.16 0.26 0.21 -0.44 0.07 0.00 0.00 179.01 178.95 3chg h ASP 269 N 0.40 0.00 0.32 3.06 3.45 -1.79 -0.49 116.42 121.37 3chg h ASP 269 Ca 0.64 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 58.08 3chg h ASP 269 Cb 1.31 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 40.08 3chg h ASP 269 CO -0.56 0.00 -0.10 -0.07 -1.57 0.00 0.00 179.24 176.95 3chg h LEU 270 N 0.00 0.00 -0.23 1.55 3.38 -0.17 -1.29 115.31 118.56 3chg h LEU 270 Ca 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3chg h LEU 270 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3chg h LEU 270 CO -0.00 0.10 0.04 0.11 0.09 0.00 0.00 178.44 178.78 3chg h LYS 271 N 0.00 0.37 0.00 1.13 1.79 -1.22 -3.53 116.57 115.11 3chg h LYS 271 Ca -0.00 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 3chg h LYS 271 Cb 0.28 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 3chg h LYS 271 CO 0.01 0.51 0.00 1.63 -1.08 0.00 0.00 179.45 180.52