#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 0.39 0.36 3.52 1.02 -1.26 -5.14 119.74 118.63 3chg s LYS 16 Ca 0.00 -0.87 0.02 0.00 0.02 0.00 0.00 55.97 55.14 3chg s LYS 16 Cb 0.00 -1.14 -0.01 0.00 -0.52 0.00 0.00 37.83 36.16 3chg s LYS 16 CO 0.00 -1.12 0.07 2.41 -0.92 0.00 0.00 175.35 175.79 3chg n THR 17 N 4.65 0.00 -3.15 2.17 -1.04 -1.26 -3.15 114.28 112.49 3chg n THR 17 Ca 0.04 -1.90 0.02 0.00 -2.04 0.00 0.00 64.05 60.17 3chg n THR 17 Cb 0.40 0.56 -0.01 0.00 -1.82 0.00 0.00 70.33 69.47 3chg n THR 17 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3chg s ILE 18 N -2.65 -0.90 -0.17 12.58 2.07 -1.24 -4.73 121.20 126.16 3chg s ILE 18 Ca 0.10 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.05 3chg s ILE 18 Cb 0.00 -0.30 -0.00 0.00 0.13 0.00 0.00 42.46 42.29 3chg s ILE 18 CO 0.07 0.00 1.03 -0.63 -1.91 0.00 0.00 174.94 173.50 3chg s ILE 19 N 2.20 4.72 0.00 2.00 1.01 -0.93 -3.21 121.20 126.99 3chg s ILE 19 Ca 0.15 2.03 0.00 0.00 0.00 0.00 0.00 60.65 62.83 3chg s ILE 19 Cb -0.05 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 38.11 3chg s ILE 19 CO -0.14 -0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.32 3chg n GLY 20 N 3.21 7.60 0.00 6.18 0.00 -1.17 -2.34 105.19 118.67 3chg n GLY 20 Ca 0.10 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.89 -0.61 -5.35 -1.23 -4.54 119.36 105.74 3chg n ILE 21 Ca 0.00 0.00 -0.39 0.00 -0.27 0.00 0.00 62.75 62.09 3chg n ILE 21 Cb 0.00 -0.02 0.02 0.00 -1.74 0.00 0.00 39.64 37.90 3chg n ILE 21 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 3chg s ASP 22 N 0.60 5.72 0.32 7.28 -4.77 -1.23 -4.08 116.67 120.50 3chg s ASP 22 Ca 0.00 2.73 0.10 0.00 -3.30 0.00 0.00 52.55 52.08 3chg s ASP 22 Cb 0.00 -2.64 0.53 0.00 -1.09 0.00 0.00 42.92 39.72 3chg s ASP 22 CO 0.00 -1.26 1.72 1.55 0.70 0.00 0.00 175.17 177.88 3chg h PRO 23 N 1.97 0.09 0.00 2.11 0.13 -1.83 -2.94 132.00 131.53 3chg h PRO 23 Ca -0.50 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.57 3chg h PRO 23 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 3chg h PRO 23 CO 0.59 0.53 -0.07 0.78 -0.23 0.00 0.00 178.00 179.60 3chg h GLY 24 N 1.34 0.00 -0.89 1.56 0.00 -1.92 -3.43 103.07 99.74 3chg h GLY 24 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.90 3chg h GLY 24 CO 0.06 0.00 0.16 -1.35 0.00 0.00 0.00 176.54 175.42 3chg s SER 25 N -6.05 1.92 -0.12 0.19 1.04 -1.11 -4.62 113.70 104.96 3chg s SER 25 Ca -0.03 0.98 -0.13 0.00 0.48 0.00 0.00 55.95 57.25 3chg s SER 25 Cb 0.14 -1.50 -0.26 0.00 0.10 0.00 0.00 66.02 64.49 3chg s SER 25 CO 0.56 -3.54 0.46 1.23 0.98 0.00 0.00 173.24 172.92 3chg h GLY 26 N -2.18 0.28 1.09 7.32 0.00 -1.88 -3.23 103.07 104.46 3chg h GLY 26 Ca -0.52 -0.71 -0.11 0.00 0.00 0.00 0.00 47.33 45.99 3chg h GLY 26 CO 0.50 0.62 -0.12 1.19 0.00 0.00 0.00 176.54 178.72 3chg h ILE 27 N -0.21 1.27 -0.35 2.60 2.10 -1.94 -0.10 117.51 120.87 3chg h ILE 27 Ca -0.36 -1.27 0.05 0.00 1.08 0.00 0.00 64.86 64.36 3chg h ILE 27 Cb 1.84 1.00 -0.05 0.00 -1.09 0.00 0.00 36.82 38.53 3chg h ILE 27 CO 0.05 0.45 0.08 -0.03 -1.08 0.00 0.00 178.15 177.61 3chg h MET 28 N 0.88 0.19 -0.53 2.19 4.05 -1.84 0.05 114.93 119.92 3chg h MET 28 Ca 0.13 -0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.45 3chg h MET 28 Cb 0.69 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.42 3chg h MET 28 CO 0.05 0.13 -0.02 1.03 0.23 0.00 0.00 176.91 178.32 3chg h SER 29 N 0.20 0.91 0.41 1.39 0.87 -1.54 -2.19 113.55 113.60 3chg h SER 29 Ca 0.17 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.47 3chg h SER 29 Cb 0.18 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.90 3chg h SER 29 CO -0.21 0.98 -0.03 -0.07 -0.53 0.00 0.00 176.83 176.96 3chg h LEU 30 N 0.85 0.00 0.00 2.23 3.38 -0.44 -2.84 115.31 118.50 3chg h LEU 30 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3chg h LEU 30 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3chg h LEU 30 CO 0.03 0.03 -0.22 0.41 0.09 0.00 0.00 178.44 178.78 3chg n THR 31 N -3.27 0.43 0.20 0.22 -1.04 -0.05 -1.87 114.28 108.89 3chg n THR 31 Ca -0.02 -0.24 -0.14 0.00 -2.04 0.00 0.00 64.05 61.62 3chg n THR 31 Cb 0.19 -0.39 -0.08 0.00 -1.82 0.00 0.00 70.33 68.23 3chg n THR 31 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3chg h ASP 32 N 0.00 -0.43 -0.64 8.00 3.32 -1.50 -2.71 116.42 122.47 3chg h ASP 32 Ca 0.00 -0.12 0.08 0.00 0.02 0.00 0.00 57.03 57.01 3chg h ASP 32 Cb 0.70 0.11 -0.06 0.00 0.22 0.00 0.00 39.33 40.30 3chg h ASP 32 CO 0.00 -0.10 0.30 0.50 -1.72 0.00 0.00 179.24 178.22 3chg h LYS 33 N -0.79 0.52 -0.83 3.56 3.64 -1.63 -0.12 116.57 120.92 3chg h LYS 33 Ca -0.05 -0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.41 3chg h LYS 33 Cb 0.52 -0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 32.15 3chg h LYS 33 CO 0.08 0.34 0.45 0.00 -2.27 0.00 0.00 179.45 178.06 3chg h ALA 34 N 1.39 1.20 0.00 5.00 0.00 -1.44 0.37 119.26 125.78 3chg h ALA 34 Ca 0.31 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 3chg h ALA 34 Cb 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3chg h ALA 34 CO -0.25 0.03 -0.18 0.52 0.00 0.00 0.00 179.25 179.36 3chg h MET 35 N 0.72 0.00 0.02 0.00 2.86 -0.78 -0.97 114.93 116.77 3chg h MET 35 Ca 0.42 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 58.06 3chg h MET 35 Cb 0.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.12 3chg h MET 35 CO -0.29 0.18 -0.01 0.87 1.06 0.00 0.00 176.91 178.73 3chg h LYS 36 N 0.00 -0.02 -0.31 1.72 1.57 0.02 0.37 116.57 119.93 3chg h LYS 36 Ca -0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 3chg h LYS 36 Cb 0.96 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 3chg h LYS 36 CO 0.02 0.73 -0.27 -0.44 -0.57 0.00 0.00 179.45 178.93 3chg h ASP 37 N -0.89 0.76 -0.23 0.86 3.32 -0.28 -2.57 116.42 117.40 3chg h ASP 37 Ca -0.00 -0.46 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3chg h ASP 37 Cb 0.77 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3chg h ASP 37 CO 0.00 1.06 0.00 -1.22 -1.72 0.00 0.00 179.24 177.36 3chg n TYR 38 N -4.27 0.29 -2.21 4.55 4.02 -0.37 -4.94 117.16 114.23 3chg n TYR 38 Ca -0.03 -0.15 -0.13 0.00 -0.01 0.00 0.00 57.90 57.58 3chg n TYR 38 Cb 0.46 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.77 3chg n TYR 38 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3chg n ASP 39 N 0.61 -4.05 -2.59 7.72 2.03 -0.97 -4.87 116.55 114.44 3chg n ASP 39 Ca 0.17 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.35 3chg n ASP 39 Cb 0.39 -3.22 -0.07 0.00 -0.72 0.00 0.00 41.12 37.51 3chg n ASP 39 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3chg n LEU 40 N -1.83 3.88 -0.69 -2.67 4.77 0.13 -4.39 117.00 116.20 3chg n LEU 40 Ca -0.15 -2.42 0.13 0.00 -0.03 0.00 0.00 56.01 53.54 3chg n LEU 40 Cb 0.61 -0.94 0.28 0.00 -2.33 0.00 0.00 43.42 41.04 3chg n LEU 40 CO 0.18 0.75 0.71 0.59 -1.33 0.00 0.00 177.39 178.29 3chg n ASN 41 N 3.28 2.21 -1.27 -1.43 4.13 -1.25 -3.19 115.26 117.74 3chg n ASN 41 Ca 0.33 -1.70 0.05 0.00 1.68 0.00 0.00 54.58 54.94 3chg n ASN 41 Cb 0.38 0.04 0.24 0.00 -1.54 0.00 0.00 39.78 38.90 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 0.67 3.66 -4.41 6.41 5.75 -1.26 -4.96 116.55 122.40 3chg n ASP 42 Ca 0.16 -2.49 -0.23 0.00 -0.01 0.00 0.00 54.79 52.22 3chg n ASP 42 Cb 0.48 -0.57 -0.11 0.00 -1.03 0.00 0.00 41.12 39.89 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 -1.97 2.10 -0.14 2.11 0.52 -1.19 -4.77 118.94 115.59 3chg s TRP 43 Ca 0.32 -0.40 -0.01 0.00 0.02 0.00 0.00 56.10 56.03 3chg s TRP 43 Cb 0.24 -0.98 0.03 0.00 -1.15 0.00 0.00 33.47 31.61 3chg s TRP 43 CO 0.11 0.53 -0.06 0.99 0.02 0.00 0.00 176.95 178.54 3chg s THR 44 N -2.29 1.00 -0.45 2.01 2.01 -1.19 -5.04 115.64 111.70 3chg s THR 44 Ca 0.24 -0.43 -0.22 0.00 0.31 0.00 0.00 61.69 61.59 3chg s THR 44 Cb -0.05 -1.12 0.03 0.00 0.01 0.00 0.00 72.50 71.36 3chg s THR 44 CO 0.11 0.23 0.74 -0.22 -0.69 0.00 0.00 174.62 174.78 3chg s LEU 45 N 1.70 4.34 0.65 4.42 2.96 -1.26 -3.64 118.68 127.84 3chg s LEU 45 Ca 0.03 -0.19 -0.05 0.00 -0.22 0.00 0.00 54.13 53.70 3chg s LEU 45 Cb -0.14 -2.89 0.04 0.00 0.50 0.00 0.00 46.19 43.71 3chg s LEU 45 CO -0.08 -0.87 0.94 -0.63 -1.32 0.00 0.00 176.35 174.39 3chg s ILE 46 N 3.14 2.69 0.08 6.68 -1.09 -1.20 -5.02 121.20 126.49 3chg s ILE 46 Ca 0.27 -0.28 0.00 0.00 -2.23 0.00 0.00 60.65 58.42 3chg s ILE 46 Cb -0.13 -3.11 0.00 0.00 -1.58 0.00 0.00 42.46 37.64 3chg s ILE 46 CO 0.21 -0.11 0.00 -0.24 -1.23 0.00 0.00 174.94 173.57 3chg n SER 47 N -2.73 0.05 -1.13 3.58 2.88 -1.26 -3.04 113.62 111.97 3chg n SER 47 Ca 0.07 0.14 0.13 0.00 -1.33 0.00 0.00 58.87 57.88 3chg n SER 47 Cb 0.60 0.08 -0.03 0.00 -0.75 0.00 0.00 64.21 64.10 3chg n SER 47 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3chg n ALA 48 N -2.83 -2.73 -1.98 -1.46 0.00 -1.26 -3.51 120.51 106.73 3chg n ALA 48 Ca 0.00 0.30 -0.21 0.00 0.00 0.00 0.00 53.44 53.53 3chg n ALA 48 Cb 0.00 -0.92 0.05 0.00 0.00 0.00 0.00 19.45 18.58 3chg n ALA 48 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3chg s SER 49 N -5.69 5.16 0.42 0.00 0.15 -1.26 -3.60 113.70 108.87 3chg s SER 49 Ca 0.00 -0.12 0.23 0.00 0.70 0.00 0.00 55.95 56.76 3chg s SER 49 Cb 0.00 -0.69 0.30 0.00 -1.71 0.00 0.00 66.02 63.92 3chg s SER 49 CO 0.00 -1.23 1.56 -1.28 1.20 0.00 0.00 173.24 173.49 3chg h SER 50 N 0.02 0.00 0.26 5.45 0.87 -1.88 -2.89 113.55 115.38 3chg h SER 50 Ca -0.41 0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 59.90 3chg h SER 50 Cb 1.29 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.21 3chg h SER 50 CO 0.50 0.02 -1.97 0.00 -0.53 0.00 0.00 176.83 174.85 3chg n ALA 51 N -2.11 1.81 0.09 6.23 0.00 -1.26 -4.03 120.51 121.24 3chg n ALA 51 Ca 0.04 -0.92 0.03 0.00 0.00 0.00 0.00 53.44 52.59 3chg n ALA 51 Cb 0.54 -0.58 0.41 0.00 0.00 0.00 0.00 19.45 19.83 3chg n ALA 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3chg h ALA 52 N 1.26 1.59 -0.34 0.00 0.00 -1.95 -1.92 119.26 117.89 3chg h ALA 52 Ca -0.32 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 3chg h ALA 52 Cb 1.85 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 3chg h ALA 52 CO 0.04 0.31 0.10 1.98 0.00 0.00 0.00 179.25 181.68 3chg h MET 53 N 0.32 0.54 -0.07 0.00 4.05 -1.65 0.67 114.93 118.78 3chg h MET 53 Ca 0.07 -0.12 -0.16 0.00 -0.28 0.00 0.00 59.70 59.21 3chg h MET 53 Cb 0.22 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 3chg h MET 53 CO 0.01 0.57 -0.66 1.79 0.23 0.00 0.00 176.91 178.84 3chg h THR 54 N 0.40 1.39 -0.55 -0.77 1.35 -1.68 -0.92 112.91 112.14 3chg h THR 54 Ca 0.11 -2.08 0.00 0.00 -0.55 0.00 0.00 66.41 63.89 3chg h THR 54 Cb 0.26 2.07 -0.03 0.00 -1.73 0.00 0.00 68.15 68.72 3chg h THR 54 CO -0.00 0.62 0.35 0.00 -0.25 0.00 0.00 175.52 176.24 3chg h ALA 55 N 1.09 0.70 -0.56 6.62 0.00 -1.15 0.11 119.26 126.07 3chg h ALA 55 Ca -0.02 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3chg h ALA 55 Cb 1.20 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 3chg h ALA 55 CO 0.11 0.16 -0.04 1.15 0.00 0.00 0.00 179.25 180.62 3chg h THR 56 N 0.74 1.27 -0.64 0.00 2.02 -0.76 -2.68 112.91 112.86 3chg h THR 56 Ca 0.20 -1.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.18 3chg h THR 56 Cb -0.06 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 3chg h THR 56 CO -0.04 0.42 0.36 0.25 0.37 0.00 0.00 175.52 176.88 3chg h LEU 57 N 0.89 0.80 -0.29 2.58 5.85 -0.70 -2.83 115.31 121.61 3chg h LEU 57 Ca 0.15 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 3chg h LEU 57 Cb 0.60 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3chg h LEU 57 CO 0.04 0.66 0.02 0.50 -0.34 0.00 0.00 178.44 179.31 3chg h LYS 58 N 0.88 0.51 -0.72 1.25 3.64 -0.95 -1.94 116.57 119.23 3chg h LYS 58 Ca 0.23 -0.15 0.14 0.00 -1.27 0.00 0.00 60.65 59.59 3chg h LYS 58 Cb 0.03 -0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 31.70 3chg h LYS 58 CO -0.04 0.64 0.27 -0.22 -2.27 0.00 0.00 179.45 177.83 3chg h LYS 59 N 0.31 0.40 0.11 1.90 1.63 -1.38 -2.77 116.57 116.77 3chg h LYS 59 Ca 0.09 -0.02 -0.16 0.00 -0.85 0.00 0.00 60.65 59.70 3chg h LYS 59 Cb 0.40 -0.09 0.01 0.00 -0.60 0.00 0.00 32.23 31.95 3chg h LYS 59 CO 0.01 0.26 -0.73 0.77 -3.45 0.00 0.00 179.45 176.32 3chg h SER 60 N 0.41 0.36 -0.68 4.20 0.02 -1.44 -3.27 113.55 113.16 3chg h SER 60 Ca 0.39 -0.94 0.10 0.00 -0.84 0.00 0.00 61.79 60.50 3chg h SER 60 Cb 0.59 -0.12 -0.07 0.00 0.14 0.00 0.00 62.40 62.94 3chg h SER 60 CO -0.40 1.34 0.31 0.22 -1.14 0.00 0.00 176.83 177.16 3chg h TYR 61 N -0.50 0.54 -0.41 3.45 3.20 -1.26 1.16 116.97 123.15 3chg h TYR 61 Ca -0.14 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.78 3chg h TYR 61 Cb 1.52 -0.14 -0.03 0.00 1.54 0.00 0.00 36.73 39.63 3chg h TYR 61 CO 0.20 0.17 0.24 -0.44 -1.64 0.00 0.00 178.16 176.70 3chg h ASP 62 N 0.52 0.40 0.82 -2.11 3.45 -1.65 -1.81 116.42 116.04 3chg h ASP 62 Ca 0.34 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.80 3chg h ASP 62 Cb 0.39 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 39.08 3chg h ASP 62 CO -0.29 0.29 0.00 0.54 -1.57 0.00 0.00 179.24 178.21 3chg n ARG 63 N -4.85 0.01 -3.75 3.56 1.74 -0.16 -4.95 116.66 108.27 3chg n ARG 63 Ca 0.01 0.11 -0.23 0.00 -0.77 0.00 0.00 57.85 56.98 3chg n ARG 63 Cb 0.06 -1.52 0.02 0.00 -1.02 0.00 0.00 32.46 30.00 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 -1.55 -4.23 -4.15 5.56 5.02 0.38 -5.01 118.16 114.18 3chg n LYS 64 Ca 0.05 0.56 -0.35 0.00 -2.02 0.00 0.00 58.31 56.56 3chg n LYS 64 Cb 0.28 -4.97 -0.12 0.00 -0.02 0.00 0.00 35.03 30.20 3chg n LYS 64 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3chg s LYS 65 N -6.08 3.65 0.20 1.97 1.02 -0.79 -5.01 119.74 114.71 3chg s LYS 65 Ca 0.04 -0.51 -0.30 0.00 0.02 0.00 0.00 55.97 55.22 3chg s LYS 65 Cb -0.01 -3.04 -0.16 0.00 -0.52 0.00 0.00 37.83 34.09 3chg s LYS 65 CO 0.83 0.09 0.83 -0.35 -0.92 0.00 0.00 175.35 175.83 3chg n PRO 66 N 4.02 0.61 -3.66 -1.68 -0.04 -1.26 -4.62 135.00 128.36 3chg n PRO 66 Ca -0.17 0.21 -0.11 0.00 -0.04 0.00 0.00 63.50 63.39 3chg n PRO 66 Cb 0.52 -1.46 -0.08 0.00 -0.04 0.00 0.00 33.50 32.44 3chg n PRO 66 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3chg s ILE 67 N -0.78 -0.00 -0.07 0.52 2.07 -1.26 -5.09 121.20 116.58 3chg s ILE 67 Ca 0.67 0.02 0.05 0.00 -1.41 0.00 0.00 60.65 59.97 3chg s ILE 67 Cb -0.88 -0.85 -0.01 0.00 0.13 0.00 0.00 42.46 40.86 3chg s ILE 67 CO 0.57 0.01 -0.24 -0.63 -1.91 0.00 0.00 174.94 172.73 3chg s ILE 68 N 0.87 2.12 0.46 2.00 1.09 -1.26 -4.15 121.20 122.32 3chg s ILE 68 Ca -0.04 -1.03 0.04 0.00 -1.10 0.00 0.00 60.65 58.51 3chg s ILE 68 Cb -0.05 -1.78 -0.04 0.00 -1.06 0.00 0.00 42.46 39.52 3chg s ILE 68 CO -0.07 0.57 0.02 0.27 -0.10 0.00 0.00 174.94 175.62 3chg s ILE 69 N 0.01 1.43 -0.82 2.92 -4.36 -0.63 -2.18 121.20 117.57 3chg s ILE 69 Ca -0.09 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.32 3chg s ILE 69 Cb -0.15 -2.52 0.24 0.00 1.25 0.00 0.00 42.46 41.28 3chg s ILE 69 CO 0.05 0.00 0.88 0.35 0.24 0.00 0.00 174.94 176.46 3chg n THR 70 N -1.10 3.09 -3.96 8.37 -2.24 -0.99 -1.78 114.28 115.67 3chg n THR 70 Ca -0.12 -5.30 -0.28 0.00 -2.27 0.00 0.00 64.05 56.08 3chg n THR 70 Cb 0.67 -2.19 -0.04 0.00 -2.10 0.00 0.00 70.33 66.67 3chg n THR 70 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3chg s GLY 71 N -1.51 1.91 0.13 3.38 0.00 0.84 -4.77 107.32 107.31 3chg s GLY 71 Ca 0.33 -0.98 0.10 0.00 0.00 0.00 0.00 44.72 44.16 3chg s GLY 71 CO -0.04 -0.98 -0.25 0.66 0.00 0.00 0.00 173.10 172.50 3chg s TRP 72 N -1.62 2.14 -0.09 1.90 -2.14 -1.26 -0.40 118.94 117.46 3chg s TRP 72 Ca 0.34 -0.39 0.00 0.00 2.66 0.00 0.00 56.10 58.71 3chg s TRP 72 Cb -0.12 -1.15 -0.03 0.00 -3.10 0.00 0.00 33.47 29.08 3chg s TRP 72 CO 0.27 0.32 -0.09 -0.08 -2.66 0.00 0.00 176.95 174.71 3chg s THR 73 N -1.19 3.52 0.26 0.66 -1.32 0.87 -3.92 115.64 114.52 3chg s THR 73 Ca 0.13 -0.53 -0.30 0.00 -1.21 0.00 0.00 61.69 59.78 3chg s THR 73 Cb -0.10 -2.46 -0.09 0.00 -1.51 0.00 0.00 72.50 68.34 3chg s THR 73 CO 0.06 0.56 0.98 -2.16 -2.21 0.00 0.00 174.62 171.85 3chg s PRO 74 N -0.34 4.78 -0.29 7.08 0.04 -1.26 -2.51 135.00 142.50 3chg s PRO 74 Ca 0.04 1.56 -0.15 0.00 0.04 0.00 0.00 61.00 62.49 3chg s PRO 74 Cb -0.12 -3.23 0.12 0.00 0.04 0.00 0.00 34.50 31.31 3chg s PRO 74 CO 0.02 0.42 0.84 -1.58 0.04 0.00 0.00 177.00 176.75 3chg s HIS 75 N -1.20 -0.84 0.59 0.56 2.46 -1.25 -4.57 115.29 111.04 3chg s HIS 75 Ca 0.42 1.62 0.30 0.00 0.47 0.00 0.00 55.06 57.87 3chg s HIS 75 Cb -0.27 0.50 1.32 0.00 -0.13 0.00 0.00 32.58 34.00 3chg s HIS 75 CO 0.34 -0.41 1.69 0.11 -2.47 0.00 0.00 174.74 174.00 3chg h TRP 76 N 6.73 0.00 -0.87 3.88 5.08 -1.92 -2.98 115.95 125.88 3chg h TRP 76 Ca -0.27 0.00 0.27 0.00 1.08 0.00 0.00 58.89 59.97 3chg h TRP 76 Cb 1.19 0.00 -0.16 0.00 -3.00 0.00 0.00 29.16 27.19 3chg h TRP 76 CO 0.10 0.00 0.11 -0.12 -1.28 0.00 0.00 178.44 177.26 3chg n MET 77 N -3.60 -0.07 0.22 0.12 1.56 -1.26 0.69 117.12 114.79 3chg n MET 77 Ca 0.15 1.28 0.11 0.00 -0.27 0.00 0.00 57.70 58.98 3chg n MET 77 Cb 1.03 -2.09 0.32 0.00 2.15 0.00 0.00 33.22 34.63 3chg n MET 77 CO 0.00 0.00 0.00 0.74 -0.73 0.00 0.00 175.97 175.98 3chg h PHE 78 N 0.00 0.00 -0.71 1.12 0.04 -1.74 -2.63 116.94 113.02 3chg h PHE 78 Ca 0.57 0.00 -0.46 0.00 2.80 0.00 0.00 57.97 60.88 3chg h PHE 78 Cb 1.27 0.00 -0.19 0.00 2.20 0.00 0.00 35.95 39.23 3chg h PHE 78 CO -0.35 0.12 0.59 0.43 -0.60 0.00 0.00 178.31 178.49 3chg n SER 79 N -3.17 6.92 0.18 2.17 7.64 0.22 -4.26 113.62 123.32 3chg n SER 79 Ca 0.02 -3.34 0.00 0.00 1.01 0.00 0.00 58.87 56.57 3chg n SER 79 Cb 0.49 -1.04 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 3chg n SER 79 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3chg n ARG 80 N -0.08 0.00 -4.08 1.43 5.12 -1.20 -5.06 116.66 112.79 3chg n ARG 80 Ca 0.43 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 56.02 3chg n ARG 80 Cb 0.60 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.83 3chg n ARG 80 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3chg s TYR 81 N -2.00 3.27 -0.62 -1.55 2.02 -0.99 -5.05 117.35 112.42 3chg s TYR 81 Ca 0.00 0.17 -0.27 0.00 -0.37 0.00 0.00 57.07 56.60 3chg s TYR 81 Cb 0.00 -1.71 0.00 0.00 -0.40 0.00 0.00 41.96 39.85 3chg s TYR 81 CO 0.00 0.54 1.57 0.15 -1.57 0.00 0.00 175.55 176.24 3chg s LYS 82 N -1.92 3.00 0.22 -0.62 1.02 -1.26 -4.45 119.74 115.73 3chg s LYS 82 Ca 0.25 0.36 0.11 0.00 0.02 0.00 0.00 55.97 56.71 3chg s LYS 82 Cb -0.12 -4.25 -0.05 0.00 -0.52 0.00 0.00 37.83 32.90 3chg s LYS 82 CO 0.16 -2.31 -0.21 -0.51 -0.92 0.00 0.00 175.35 171.56 3chg s LEU 83 N 7.20 2.50 -0.00 3.17 1.43 -1.26 -0.43 118.68 131.29 3chg s LEU 83 Ca 0.54 -0.94 -0.02 0.00 -1.03 0.00 0.00 54.13 52.69 3chg s LEU 83 Cb -0.11 -1.06 -0.00 0.00 0.03 0.00 0.00 46.19 45.04 3chg s LEU 83 CO 0.21 0.05 0.04 -1.59 0.23 0.00 0.00 176.35 175.28 3chg s LYS 84 N -3.08 0.18 0.75 1.70 -2.85 -0.46 -4.73 119.74 111.25 3chg s LYS 84 Ca 0.24 -0.18 -0.11 0.00 -1.00 0.00 0.00 55.97 54.91 3chg s LYS 84 Cb -0.06 0.07 0.04 0.00 -2.06 0.00 0.00 37.83 35.82 3chg s LYS 84 CO 0.11 -0.03 1.09 0.71 0.10 0.00 0.00 175.35 177.33 3chg s TYR 85 N -0.56 3.04 -0.21 1.78 2.02 -1.26 -0.64 117.35 121.51 3chg s TYR 85 Ca -0.06 1.16 -0.07 0.00 -0.37 0.00 0.00 57.07 57.72 3chg s TYR 85 Cb -0.04 -3.06 -0.04 0.00 -0.40 0.00 0.00 41.96 38.42 3chg s TYR 85 CO -0.00 -1.49 0.07 -0.51 -1.57 0.00 0.00 175.55 172.04 3chg s LEU 86 N -5.60 3.65 -0.12 -1.29 1.43 -0.67 -4.81 118.68 111.26 3chg s LEU 86 Ca 0.59 -0.05 -0.33 0.00 -1.03 0.00 0.00 54.13 53.32 3chg s LEU 86 Cb -0.13 -1.95 -0.16 0.00 0.03 0.00 0.00 46.19 43.99 3chg s LEU 86 CO 0.54 0.08 0.96 0.47 0.23 0.00 0.00 176.35 178.62 3chg n ASP 87 N 4.16 0.28 -3.43 2.29 9.92 0.12 -4.52 116.55 125.36 3chg n ASP 87 Ca -0.16 0.91 -0.33 0.00 -0.53 0.00 0.00 54.79 54.67 3chg n ASP 87 Cb 0.52 -0.71 -0.03 0.00 -0.64 0.00 0.00 41.12 40.27 3chg n ASP 87 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 3chg n ASP 88 N 1.75 5.35 0.34 -2.24 4.64 -1.26 -2.43 116.55 122.69 3chg n ASP 88 Ca 0.18 -3.58 0.22 0.00 -1.38 0.00 0.00 54.79 50.23 3chg n ASP 88 Cb 0.03 -0.86 1.18 0.00 -1.04 0.00 0.00 41.12 40.43 3chg n ASP 88 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 3chg h PRO 89 N 4.03 0.00 0.00 -0.67 0.11 -1.99 0.61 132.00 134.09 3chg h PRO 89 Ca 0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.37 3chg h PRO 89 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3chg h PRO 89 CO 1.01 0.00 -1.05 1.63 -0.21 0.00 0.00 178.00 179.38 3chg n LYS 90 N -3.13 0.46 -1.10 1.05 5.02 -1.26 -4.95 118.16 114.25 3chg n LYS 90 Ca -0.03 0.05 -0.03 0.00 -2.02 0.00 0.00 58.31 56.27 3chg n LYS 90 Cb 0.09 -1.70 -0.01 0.00 -0.02 0.00 0.00 35.03 33.38 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 -2.33 -0.36 -0.39 1.97 6.02 0.20 -4.92 117.38 117.58 3chg n GLN 91 Ca 0.01 0.52 0.36 0.00 -0.01 0.00 0.00 57.00 57.88 3chg n GLN 91 Cb 0.50 -4.12 0.72 0.00 1.02 0.00 0.00 30.24 28.35 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 0.00 0.09 0.86 1.08 0.02 -1.93 0.82 113.55 114.49 3chg h SER 92 Ca -0.07 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3chg h SER 92 Cb 0.28 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.84 3chg h SER 92 CO 0.10 -0.00 -0.61 -1.22 -1.14 0.00 0.00 176.83 173.96 3chg n TYR 93 N -4.26 0.54 0.00 3.45 4.01 -1.26 -4.82 117.16 114.82 3chg n TYR 93 Ca 0.29 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 58.19 3chg n TYR 93 Cb 1.32 -0.65 0.00 0.00 -0.31 0.00 0.00 39.34 39.70 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 1.34 -0.27 3.15 2.72 0.00 0.28 -4.89 105.19 107.54 3chg n GLY 94 Ca 0.03 -1.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.11 3chg n GLY 94 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3chg s SER 95 N -1.18 0.60 -1.30 1.61 1.04 -1.26 -4.95 113.70 108.26 3chg s SER 95 Ca 0.00 -1.13 -0.03 0.00 0.48 0.00 0.00 55.95 55.27 3chg s SER 95 Cb 0.00 0.22 0.01 0.00 0.10 0.00 0.00 66.02 66.35 3chg s SER 95 CO 0.00 -0.64 0.90 0.00 0.98 0.00 0.00 173.24 174.48 3chg n ALA 96 N -0.06 -1.84 -1.80 5.32 0.00 -1.26 -4.94 120.51 115.93 3chg n ALA 96 Ca -0.09 -0.01 -0.34 0.00 0.00 0.00 0.00 53.44 53.00 3chg n ALA 96 Cb 0.63 -2.87 -0.05 0.00 0.00 0.00 0.00 19.45 17.16 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 -5.88 4.00 0.14 0.00 2.56 -1.26 -4.81 118.70 113.44 3chg s GLU 97 Ca 0.16 1.31 0.07 0.00 0.00 0.00 0.00 54.97 56.51 3chg s GLU 97 Cb -0.07 -2.20 -0.04 0.00 2.00 0.00 0.00 34.13 33.82 3chg s GLU 97 CO 0.78 -0.25 -0.17 -1.21 -0.56 0.00 0.00 175.26 173.84 3chg s GLU 98 N -3.08 1.14 -0.10 4.30 2.02 0.47 -2.83 118.70 120.63 3chg s GLU 98 Ca 0.64 -1.29 -0.04 0.00 0.02 0.00 0.00 54.97 54.31 3chg s GLU 98 Cb -0.15 -1.17 -0.04 0.00 0.10 0.00 0.00 34.13 32.87 3chg s GLU 98 CO 0.19 0.24 0.05 -1.50 0.02 0.00 0.00 175.26 174.26 3chg s ILE 99 N -1.89 4.71 0.01 -1.63 1.10 -1.19 -0.67 121.20 121.63 3chg s ILE 99 Ca 0.11 -0.09 0.07 0.00 -0.51 0.00 0.00 60.65 60.22 3chg s ILE 99 Cb -0.06 -3.01 -0.02 0.00 0.15 0.00 0.00 42.46 39.52 3chg s ILE 99 CO 0.05 0.60 -0.20 -1.00 -2.11 0.00 0.00 174.94 172.28 3chg s HIS 100 N -0.87 1.78 -0.20 3.50 3.76 0.36 -2.66 115.29 120.96 3chg s HIS 100 Ca 0.13 -0.35 -0.27 0.00 -0.15 0.00 0.00 55.06 54.42 3chg s HIS 100 Cb -0.12 -1.11 -0.00 0.00 1.11 0.00 0.00 32.58 32.46 3chg s HIS 100 CO 0.03 0.02 0.93 0.99 -0.85 0.00 0.00 174.74 175.85 3chg s THR 101 N -0.60 4.79 0.16 1.30 2.01 0.19 -3.04 115.64 120.46 3chg s THR 101 Ca 0.07 1.81 0.09 0.00 0.31 0.00 0.00 61.69 63.97 3chg s THR 101 Cb -0.08 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 3chg s THR 101 CO 0.00 -0.07 -0.19 0.27 -0.69 0.00 0.00 174.62 173.94 3chg s ILE 102 N 2.63 1.88 0.17 1.82 -5.25 -0.18 -2.71 121.20 119.56 3chg s ILE 102 Ca 0.41 -1.88 0.01 0.00 -0.99 0.00 0.00 60.65 58.19 3chg s ILE 102 Cb -0.16 -1.85 -0.04 0.00 2.95 0.00 0.00 42.46 43.36 3chg s ILE 102 CO 0.10 -0.25 0.04 0.42 -1.79 0.00 0.00 174.94 173.45 3chg s THR 103 N -1.87 0.43 0.69 8.37 -4.23 0.56 -1.03 115.64 118.55 3chg s THR 103 Ca 0.15 -1.96 -0.17 0.00 -1.18 0.00 0.00 61.69 58.54 3chg s THR 103 Cb -0.07 -2.16 0.01 0.00 1.34 0.00 0.00 72.50 71.63 3chg s THR 103 CO 0.07 -0.41 1.26 -2.11 -0.54 0.00 0.00 174.62 172.89 3chg n ARG 104 N -0.21 0.88 -1.86 3.99 1.85 -0.18 -0.66 116.66 120.46 3chg n ARG 104 Ca -0.05 0.36 -0.38 0.00 -1.00 0.00 0.00 57.85 56.78 3chg n ARG 104 Cb 0.64 -2.50 0.03 0.00 -1.05 0.00 0.00 32.46 29.58 3chg n ARG 104 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 3chg s LYS 105 N -3.54 3.28 0.00 2.89 -0.14 -1.26 -2.97 119.74 118.00 3chg s LYS 105 Ca 0.80 2.17 0.00 0.00 -1.36 0.00 0.00 55.97 57.58 3chg s LYS 105 Cb -0.36 -2.31 0.00 0.00 -1.68 0.00 0.00 37.83 33.48 3chg s LYS 105 CO 0.43 -1.06 0.00 0.41 -0.76 0.00 0.00 175.35 174.37 3chg n GLY 106 N 0.67 0.35 0.26 -3.33 0.00 -1.26 -4.87 105.19 97.01 3chg n GLY 106 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 3chg n GLY 106 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3chg h PHE 107 N 0.00 0.91 -0.80 1.61 3.57 -1.92 -3.35 116.94 116.97 3chg h PHE 107 Ca 0.00 -0.09 -0.42 0.00 3.53 0.00 0.00 57.97 60.99 3chg h PHE 107 Cb 0.33 -0.27 -0.06 0.00 2.79 0.00 0.00 35.95 38.74 3chg h PHE 107 CO 0.21 0.76 1.15 -1.12 -2.23 0.00 0.00 178.31 177.08 3chg s SER 108 N -6.15 5.67 0.00 0.41 0.01 -1.26 -1.94 113.70 110.44 3chg s SER 108 Ca -0.13 -1.23 0.00 0.00 1.31 0.00 0.00 55.95 55.90 3chg s SER 108 Cb 0.13 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.79 3chg s SER 108 CO 0.80 -2.30 0.00 1.17 0.41 0.00 0.00 173.24 173.32 3chg n LYS 109 N 8.73 0.00 0.00 12.44 4.81 -1.26 -4.92 118.16 137.96 3chg n LYS 109 Ca 0.40 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 3chg n LYS 109 Cb 0.48 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.53 3chg n LYS 109 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3chg n GLU 110 N 0.00 2.50 -2.96 1.64 1.02 -0.82 -4.83 120.64 117.20 3chg n GLU 110 Ca 0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 56.95 3chg n GLU 110 Cb 0.00 -0.84 -0.02 0.00 -0.02 0.00 0.00 31.44 30.57 3chg n GLU 110 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3chg n GLN 111 N -1.38 1.79 0.26 3.49 6.02 -0.97 -4.95 117.38 121.65 3chg n GLN 111 Ca 0.00 -3.83 0.18 0.00 -0.01 0.00 0.00 57.00 53.34 3chg n GLN 111 Cb 0.25 -1.80 0.91 0.00 1.02 0.00 0.00 30.24 30.61 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 2.95 0.00 0.54 -1.09 0.13 -1.88 -1.18 132.00 131.47 3chg h PRO 112 Ca 0.09 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.19 3chg h PRO 112 Cb 0.89 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.03 3chg h PRO 112 CO 0.61 0.00 -0.26 -0.97 -0.23 0.00 0.00 178.00 177.15 3chg h ASN 113 N 0.00 -0.61 -0.29 1.44 -0.00 -1.96 -3.03 115.58 111.13 3chg h ASN 113 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 56.30 56.32 3chg h ASN 113 Cb 0.10 0.16 -0.01 0.00 -0.00 0.00 0.00 38.32 38.57 3chg h ASN 113 CO 0.00 -0.36 0.19 0.00 -0.00 0.00 0.00 177.43 177.26 3chg h ALA 114 N -1.50 1.79 0.00 1.57 0.00 -1.71 -1.22 119.26 118.19 3chg h ALA 114 Ca -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3chg h ALA 114 Cb 0.56 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3chg h ALA 114 CO 0.12 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.56 3chg n ALA 115 N -2.49 1.79 -0.02 0.00 0.00 -0.54 -0.59 120.51 118.65 3chg n ALA 115 Ca 0.01 -0.04 0.03 0.00 0.00 0.00 0.00 53.44 53.45 3chg n ALA 115 Cb 0.07 -1.30 -0.14 0.00 0.00 0.00 0.00 19.45 18.08 3chg n ALA 115 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3chg n LYS 116 N -1.62 0.66 0.09 0.00 4.81 -0.50 -2.83 118.16 118.77 3chg n LYS 116 Ca 0.04 -0.04 -0.06 0.00 -0.87 0.00 0.00 58.31 57.38 3chg n LYS 116 Cb 0.21 -1.60 -0.00 0.00 0.02 0.00 0.00 35.03 33.66 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 0.05 0.03 3.14 6.46 -0.91 -3.07 115.31 121.01 3chg h LEU 117 Ca -0.18 -0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.49 3chg h LEU 117 Cb 1.45 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.36 3chg h LEU 117 CO 0.02 0.88 -0.24 -0.07 -0.62 0.00 0.00 178.44 178.41 3chg h LEU 118 N 0.02 0.08 -1.24 2.25 4.07 -1.03 -3.11 115.31 116.36 3chg h LEU 118 Ca -0.02 -0.96 0.31 0.00 0.08 0.00 0.00 57.88 57.29 3chg h LEU 118 Cb 1.50 -0.03 -0.12 0.00 1.08 0.00 0.00 40.66 43.09 3chg h LEU 118 CO 0.12 1.11 0.67 0.77 -1.08 0.00 0.00 178.44 180.02 3chg h SER 119 N -0.88 0.46 0.18 -0.43 4.64 -1.63 0.96 113.55 116.85 3chg h SER 119 Ca -0.05 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3chg h SER 119 Cb 1.14 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3chg h SER 119 CO 0.01 -0.01 -0.19 0.00 -0.87 0.00 0.00 176.83 175.77 3chg n GLN 120 N -4.76 1.02 -1.69 4.77 6.02 -1.16 -4.53 117.38 117.05 3chg n GLN 120 Ca 0.29 -0.59 -0.43 0.00 -0.01 0.00 0.00 57.00 56.26 3chg n GLN 120 Cb 0.99 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 30.73 3chg n GLN 120 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3chg n PHE 121 N -0.47 2.62 -3.62 1.08 7.35 0.33 -4.72 117.46 120.03 3chg n PHE 121 Ca 0.14 -0.10 -0.03 0.00 -0.76 0.00 0.00 57.45 56.69 3chg n PHE 121 Cb 0.35 -2.71 -0.06 0.00 0.35 0.00 0.00 39.48 37.40 3chg n PHE 121 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 3chg s LYS 122 N 2.48 0.51 0.29 -4.13 2.20 -1.26 -4.11 119.74 115.71 3chg s LYS 122 Ca 0.81 0.97 -0.19 0.00 -0.36 0.00 0.00 55.97 57.20 3chg s LYS 122 Cb -0.50 0.24 0.02 0.00 -1.51 0.00 0.00 37.83 36.08 3chg s LYS 122 CO 0.37 -0.12 0.69 1.67 -0.36 0.00 0.00 175.35 177.60 3chg s TRP 123 N 1.77 -0.07 0.44 4.03 1.48 -1.08 -5.04 118.94 120.48 3chg s TRP 123 Ca -0.08 -0.40 0.07 0.00 -1.06 0.00 0.00 56.10 54.63 3chg s TRP 123 Cb -0.05 0.64 -0.02 0.00 -1.16 0.00 0.00 33.47 32.88 3chg s TRP 123 CO -0.18 -1.23 0.34 0.95 -4.06 0.00 0.00 176.95 172.77 3chg s THR 124 N -3.78 2.34 0.16 0.66 -4.23 -1.26 -4.39 115.64 105.15 3chg s THR 124 Ca 0.13 -1.46 -0.15 0.00 -1.18 0.00 0.00 61.69 59.03 3chg s THR 124 Cb -0.05 -2.81 0.04 0.00 1.34 0.00 0.00 72.50 71.02 3chg s THR 124 CO 0.08 0.00 1.75 1.56 -0.54 0.00 0.00 174.62 177.47 3chg h GLN 125 N 1.06 0.30 0.00 3.99 4.20 -1.97 -1.25 115.11 121.44 3chg h GLN 125 Ca -0.41 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.29 3chg h GLN 125 Cb 1.27 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.98 3chg h GLN 125 CO 0.60 0.20 0.00 0.38 -0.67 0.00 0.00 178.83 179.34 3chg h ASP 126 N 0.31 0.00 0.02 1.46 2.03 -1.98 0.57 116.42 118.83 3chg h ASP 126 Ca 0.18 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.33 3chg h ASP 126 Cb 0.16 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.64 3chg h ASP 126 CO -0.18 0.00 -0.79 -0.33 -1.03 0.00 0.00 179.24 176.91 3chg h GLU 127 N 0.00 0.05 -0.41 4.15 5.08 -1.82 -3.31 114.58 118.31 3chg h GLU 127 Ca 0.00 -0.09 0.09 0.00 -1.00 0.00 0.00 59.36 58.37 3chg h GLU 127 Cb 0.49 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 3chg h GLU 127 CO 0.00 1.04 0.29 1.98 -1.00 0.00 0.00 179.01 181.32 3chg h MET 128 N -0.86 0.14 -0.11 2.33 4.05 -1.14 -1.94 114.93 117.39 3chg h MET 128 Ca -0.20 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.24 3chg h MET 128 Cb 1.28 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 32.04 3chg h MET 128 CO -0.07 0.09 0.12 0.78 0.23 0.00 0.00 176.91 178.05 3chg h GLY 129 N 0.14 0.00 0.97 1.39 0.00 -0.97 -3.09 103.07 101.51 3chg h GLY 129 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.41 3chg h GLY 129 CO -0.02 0.00 -0.25 0.83 0.00 0.00 0.00 176.54 177.10 3chg h GLU 130 N 0.00 0.71 0.01 4.80 5.08 -1.46 -3.27 114.58 120.45 3chg h GLU 130 Ca 0.05 -0.35 -0.22 0.00 -1.00 0.00 0.00 59.36 57.84 3chg h GLU 130 Cb 0.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 3chg h GLU 130 CO -0.00 0.97 -0.93 0.82 -1.00 0.00 0.00 179.01 178.86 3chg h ILE 131 N 0.47 1.43 -3.55 3.13 2.04 -1.70 -3.32 117.51 116.01 3chg h ILE 131 Ca 0.06 -2.52 -0.61 0.00 1.00 0.00 0.00 64.86 62.78 3chg h ILE 131 Cb 0.81 2.45 -0.13 0.00 -0.74 0.00 0.00 36.82 39.21 3chg h ILE 131 CO 0.06 0.75 -0.34 0.00 0.00 0.00 0.00 178.15 178.62 3chg s MET 132 N -3.22 4.11 0.00 2.37 0.23 -1.21 -1.18 119.30 120.41 3chg s MET 132 Ca -0.05 -0.03 0.00 0.00 -1.03 0.00 0.00 55.69 54.58 3chg s MET 132 Cb 0.09 -3.55 0.00 0.00 -1.53 0.00 0.00 34.83 29.84 3chg s MET 132 CO 0.86 -0.01 0.00 -0.89 -2.03 0.00 0.00 175.02 172.95 3chg n ILE 133 N 4.37 0.00 -0.23 3.16 5.41 -1.26 -4.61 119.36 126.20 3chg n ILE 133 Ca -0.11 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.59 3chg n ILE 133 Cb 0.51 0.00 0.11 0.00 -0.71 0.00 0.00 39.64 39.55 3chg n ILE 133 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 3chg h LYS 134 N 0.00 1.06 -0.05 0.38 1.57 -1.65 0.81 116.57 118.70 3chg h LYS 134 Ca 0.00 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3chg h LYS 134 Cb 0.00 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 3chg h LYS 134 CO 0.00 0.90 0.02 0.28 -0.57 0.00 0.00 179.45 180.08 3chg h VAL 135 N 1.03 1.10 0.00 0.50 2.07 -1.23 -1.69 116.25 118.03 3chg h VAL 135 Ca 0.23 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 3chg h VAL 135 Cb 0.26 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 3chg h VAL 135 CO -0.01 0.09 -0.11 -0.08 0.02 0.00 0.00 177.57 177.47 3chg h GLU 136 N -0.04 0.00 -0.62 1.57 4.57 -1.49 -0.58 114.58 117.98 3chg h GLU 136 Ca 0.02 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.14 3chg h GLU 136 Cb 0.12 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 3chg h GLU 136 CO -0.00 0.11 0.16 0.93 -1.18 0.00 0.00 179.01 179.03 3chg h GLU 137 N 0.00 1.00 0.00 1.92 3.07 0.60 -3.47 114.58 117.70 3chg h GLU 137 Ca -0.00 -0.24 0.00 0.00 -0.50 0.00 0.00 59.36 58.62 3chg h GLU 137 Cb 0.41 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 3chg h GLU 137 CO 0.01 0.90 0.00 0.41 -1.40 0.00 0.00 179.01 178.94 3chg n GLY 138 N -0.65 0.55 3.60 -3.84 0.00 -0.23 -5.11 105.19 99.51 3chg n GLY 138 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 3chg n GLY 138 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3chg s GLU 139 N 0.00 3.94 -0.26 1.61 2.02 -0.64 -5.02 118.70 120.35 3chg s GLU 139 Ca 0.00 -0.34 -0.28 0.00 0.02 0.00 0.00 54.97 54.37 3chg s GLU 139 Cb 0.00 -3.44 -0.03 0.00 0.10 0.00 0.00 34.13 30.76 3chg s GLU 139 CO 0.00 0.02 1.89 0.15 0.02 0.00 0.00 175.26 177.34 3chg s LYS 140 N 1.13 3.40 0.22 1.61 1.02 -1.26 -3.75 119.74 122.10 3chg s LYS 140 Ca 0.06 1.69 0.11 0.00 0.02 0.00 0.00 55.97 57.85 3chg s LYS 140 Cb -0.14 -4.22 0.76 0.00 -0.52 0.00 0.00 37.83 33.71 3chg s LYS 140 CO 0.04 -1.78 0.96 -2.30 -0.92 0.00 0.00 175.35 171.36 3chg n PRO 141 N 8.35 -0.04 0.00 -1.68 -0.02 -1.26 -0.69 135.00 139.66 3chg n PRO 141 Ca 0.24 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.58 3chg n PRO 141 Cb 0.46 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 3chg n PRO 141 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3chg n ALA 142 N -2.70 -0.28 0.52 3.55 0.00 -1.26 -0.99 120.51 119.35 3chg n ALA 142 Ca 0.22 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.77 3chg n ALA 142 Cb 0.73 0.06 0.45 0.00 0.00 0.00 0.00 19.45 20.70 3chg n ALA 142 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3chg n LYS 143 N -1.62 0.17 0.18 0.00 5.02 -0.77 -1.80 118.16 119.34 3chg n LYS 143 Ca 0.00 0.31 0.11 0.00 -2.02 0.00 0.00 58.31 56.71 3chg n LYS 143 Cb 0.00 -1.77 0.11 0.00 -0.02 0.00 0.00 35.03 33.36 3chg n LYS 143 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 3chg h VAL 144 N 0.00 0.07 0.06 -0.18 3.04 -0.92 -3.28 116.25 115.04 3chg h VAL 144 Ca 0.00 -1.11 -0.24 0.00 -1.01 0.00 0.00 66.70 64.34 3chg h VAL 144 Cb 0.45 1.91 -0.01 0.00 -2.01 0.00 0.00 31.29 31.64 3chg h VAL 144 CO 0.00 0.04 -1.08 0.00 -1.01 0.00 0.00 177.57 175.53 3chg h ALA 145 N 1.95 0.27 -0.66 3.17 0.00 -0.26 -3.26 119.26 120.48 3chg h ALA 145 Ca -0.00 -0.83 0.05 0.00 0.00 0.00 0.00 54.91 54.13 3chg h ALA 145 Cb 1.04 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 3chg h ALA 145 CO 0.01 0.99 0.37 0.00 0.00 0.00 0.00 179.25 180.61 3chg h ALA 146 N 0.77 0.87 -0.81 0.00 0.00 -1.59 -2.49 119.26 116.01 3chg h ALA 146 Ca -0.08 0.01 0.15 0.00 0.00 0.00 0.00 54.91 54.99 3chg h ALA 146 Cb 1.78 -0.13 -0.10 0.00 0.00 0.00 0.00 17.79 19.33 3chg h ALA 146 CO 0.17 0.06 0.36 1.49 0.00 0.00 0.00 179.25 181.33 3chg h GLU 147 N 0.69 0.49 -0.77 0.00 4.81 -1.63 -1.47 114.58 116.70 3chg h GLU 147 Ca 0.29 -0.03 0.17 0.00 -0.13 0.00 0.00 59.36 59.66 3chg h GLU 147 Cb 0.15 -0.11 -0.11 0.00 0.63 0.00 0.00 28.75 29.31 3chg h GLU 147 CO -0.17 0.32 0.22 -0.92 -0.73 0.00 0.00 179.01 177.74 3chg h TYR 148 N 0.50 0.36 -0.95 0.92 3.20 -1.54 -1.44 116.97 118.02 3chg h TYR 148 Ca 0.45 0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.37 3chg h TYR 148 Cb 0.69 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.87 3chg h TYR 148 CO -0.14 -0.07 0.63 0.28 -1.64 0.00 0.00 178.16 177.22 3chg h VAL 149 N 0.31 1.23 0.00 1.81 2.07 -1.33 -1.42 116.25 118.92 3chg h VAL 149 Ca 0.44 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.53 3chg h VAL 149 Cb 0.77 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3chg h VAL 149 CO -0.51 0.23 -0.10 0.59 0.02 0.00 0.00 177.57 177.80 3chg n ASN 150 N -4.40 0.76 -0.08 0.57 3.02 -0.57 -3.56 115.26 111.00 3chg n ASN 150 Ca 0.11 0.50 -0.15 0.00 -0.03 0.00 0.00 54.58 55.01 3chg n ASN 150 Cb 0.03 -0.63 -0.10 0.00 -0.61 0.00 0.00 39.78 38.47 3chg n ASN 150 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 3chg h LYS 151 N 0.00 0.00 -3.67 3.52 1.57 -1.07 -3.42 116.57 113.50 3chg h LYS 151 Ca 0.00 0.00 -0.76 0.00 -1.87 0.00 0.00 60.65 58.02 3chg h LYS 151 Cb 0.73 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 32.74 3chg h LYS 151 CO 0.00 0.80 0.05 -1.01 -0.57 0.00 0.00 179.45 178.72 3chg s HIS 152 N -2.21 3.80 -0.00 -1.35 3.76 -0.59 -4.90 115.29 113.79 3chg s HIS 152 Ca -0.21 -2.38 -0.21 0.00 -0.15 0.00 0.00 55.06 52.11 3chg s HIS 152 Cb 0.01 -3.63 -0.23 0.00 1.11 0.00 0.00 32.58 29.84 3chg s HIS 152 CO 0.54 -0.92 1.10 0.87 -0.85 0.00 0.00 174.74 175.47 3chg h LYS 153 N 7.23 0.36 0.00 1.40 1.57 -1.82 -3.33 116.57 121.98 3chg h LYS 153 Ca 0.10 -0.36 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3chg h LYS 153 Cb 0.97 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 3chg h LYS 153 CO 0.80 1.04 -0.00 -0.44 -0.57 0.00 0.00 179.45 180.27 3chg h ASP 154 N -0.18 0.00 0.00 0.86 3.45 -1.90 -2.95 116.42 115.70 3chg h ASP 154 Ca -0.06 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 57.36 3chg h ASP 154 Cb 1.20 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.97 3chg h ASP 154 CO 0.10 0.00 -0.18 -0.61 -1.57 0.00 0.00 179.24 176.98 3chg h GLN 155 N 0.00 0.12 0.00 3.56 4.15 -1.96 -2.71 115.11 118.27 3chg h GLN 155 Ca -0.00 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.28 3chg h GLN 155 Cb 0.01 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.74 3chg h GLN 155 CO 0.00 0.90 -0.04 0.82 -1.93 0.00 0.00 178.83 178.58 3chg h ILE 156 N -0.61 0.41 0.59 2.39 5.03 -1.68 0.31 117.51 123.96 3chg h ILE 156 Ca -0.02 -0.18 -0.03 0.00 -0.12 0.00 0.00 64.86 64.51 3chg h ILE 156 Cb 0.97 1.12 0.01 0.00 -3.03 0.00 0.00 36.82 35.89 3chg h ILE 156 CO 0.04 0.04 -0.28 0.00 -0.68 0.00 0.00 178.15 177.26 3chg h ALA 157 N 1.96 -0.79 -0.73 1.87 0.00 -1.38 1.00 119.26 121.20 3chg h ALA 157 Ca -0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3chg h ALA 157 Cb 0.12 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3chg h ALA 157 CO 0.00 -0.89 0.21 0.93 0.00 0.00 0.00 179.25 179.50 3chg h GLU 158 N -0.89 1.14 0.52 0.00 4.39 -1.04 -0.63 114.58 118.07 3chg h GLU 158 Ca -0.08 -0.26 -0.02 0.00 0.34 0.00 0.00 59.36 59.34 3chg h GLU 158 Cb 0.64 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 3chg h GLU 158 CO 0.13 0.98 -0.31 -1.49 -1.16 0.00 0.00 179.01 177.17 3chg h TRP 159 N 1.09 -0.82 -0.48 4.33 4.06 -0.40 -3.03 115.95 120.71 3chg h TRP 159 Ca 0.23 -0.01 -0.09 0.00 2.06 0.00 0.00 58.89 61.08 3chg h TRP 159 Cb 0.33 0.29 -0.05 0.00 -1.00 0.00 0.00 29.16 28.73 3chg h TRP 159 CO 0.03 -0.48 0.11 0.25 -3.56 0.00 0.00 178.44 174.79 3chg n THR 160 N -5.45 2.09 -2.05 1.49 -2.24 0.34 -4.65 114.28 103.82 3chg n THR 160 Ca -0.12 -1.07 -0.42 0.00 -2.27 0.00 0.00 64.05 60.17 3chg n THR 160 Cb 0.34 -0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 68.13 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 -2.26 4.24 0.00 -0.78 2.20 -0.25 -1.68 119.74 121.21 3chg s LYS 161 Ca 0.39 2.19 0.00 0.00 -0.36 0.00 0.00 55.97 58.18 3chg s LYS 161 Cb 0.30 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 3chg s LYS 161 CO 0.10 -0.66 0.00 0.41 -0.36 0.00 0.00 175.35 174.85 3chg n GLY 162 N 3.83 1.75 3.66 5.54 0.00 -1.26 -4.96 105.19 113.75 3chg n GLY 162 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.89 5.07 0.98 1.61 1.01 -0.68 -5.06 120.40 120.45 3chg s VAL 163 Ca 0.00 1.06 -0.16 0.00 0.00 0.00 0.00 61.98 62.88 3chg s VAL 163 Cb 0.00 -3.89 0.22 0.00 0.00 0.00 0.00 36.38 32.72 3chg s VAL 163 CO 0.00 0.15 1.34 -1.10 0.00 0.00 0.00 175.10 175.49 3chg s GLN 164 N 1.71 0.39 0.11 2.72 -0.21 -1.26 -4.98 119.66 118.15 3chg s GLN 164 Ca 0.26 -0.59 -0.08 0.00 0.02 0.00 0.00 55.36 54.98 3chg s GLN 164 Cb -0.16 -1.85 -0.06 0.00 1.00 0.00 0.00 33.01 31.94 3chg s GLN 164 CO 0.10 -2.55 0.40 0.21 -2.12 0.00 0.00 175.29 171.33 3chg s LYS 165 N -5.92 3.70 0.46 2.91 2.20 -1.26 -4.91 119.74 116.92 3chg s LYS 165 Ca 0.76 0.07 0.05 0.00 -0.36 0.00 0.00 55.97 56.50 3chg s LYS 165 Cb -0.02 -2.91 -0.04 0.00 -1.51 0.00 0.00 37.83 33.35 3chg s LYS 165 CO 0.53 0.51 0.11 0.14 -0.36 0.00 0.00 175.35 176.29 3chg s VAL 166 N -1.53 1.82 -0.54 4.02 -7.23 0.65 -5.00 120.40 112.61 3chg s VAL 166 Ca 0.37 -1.84 0.04 0.00 -1.81 0.00 0.00 61.98 58.74 3chg s VAL 166 Cb -0.13 -2.66 0.14 0.00 0.56 0.00 0.00 36.38 34.29 3chg s VAL 166 CO 0.21 0.00 0.29 -0.75 -0.31 0.00 0.00 175.10 174.54 3chg s LYS 167 N -3.89 1.96 0.00 4.82 2.36 -1.26 -4.08 119.74 119.65 3chg s LYS 167 Ca 0.29 -2.65 0.00 0.00 -2.55 0.00 0.00 55.97 51.05 3chg s LYS 167 Cb 0.04 -3.21 0.00 0.00 -1.05 0.00 0.00 37.83 33.61 3chg s LYS 167 CO 0.16 -1.14 0.00 0.41 1.55 0.00 0.00 175.35 176.33 3chg n GLY 168 N 2.99 0.49 3.69 5.54 0.00 -1.26 -5.03 105.19 111.62 3chg n GLY 168 Ca 0.08 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.85 7.08 -0.58 1.61 1.01 -1.26 -4.62 116.67 117.05 3chg s ASP 169 Ca 0.00 1.77 -0.21 0.00 0.71 0.00 0.00 52.55 54.82 3chg s ASP 169 Cb 0.00 -2.56 0.07 0.00 1.01 0.00 0.00 42.92 41.44 3chg s ASP 169 CO 0.00 -0.57 0.82 -0.54 0.21 0.00 0.00 175.17 175.09 3chg s LYS 170 N 2.20 3.15 -0.07 8.23 1.02 -1.26 -2.59 119.74 130.42 3chg s LYS 170 Ca 0.55 -0.82 -0.05 0.00 0.02 0.00 0.00 55.97 55.67 3chg s LYS 170 Cb -0.24 -4.16 -0.04 0.00 -0.52 0.00 0.00 37.83 32.87 3chg s LYS 170 CO 0.21 -1.54 0.14 -1.50 -0.92 0.00 0.00 175.35 171.74 3chg s ILE 171 N 3.39 5.32 -0.16 2.17 2.07 -1.26 -5.03 121.20 127.72 3chg s ILE 171 Ca 0.20 0.01 -0.01 0.00 -1.41 0.00 0.00 60.65 59.43 3chg s ILE 171 Cb -0.18 -3.38 -0.01 0.00 0.13 0.00 0.00 42.46 39.02 3chg s ILE 171 CO 0.12 0.51 -0.10 0.21 -1.91 0.00 0.00 174.94 173.76 3chg s ASN 172 N -1.36 4.10 -0.17 4.50 3.04 -1.26 -4.40 114.94 119.39 3chg s ASN 172 Ca 0.19 -0.35 -0.05 0.00 0.04 0.00 0.00 52.86 52.69 3chg s ASN 172 Cb -0.12 -1.65 -0.03 0.00 -1.54 0.00 0.00 41.25 37.91 3chg s ASN 172 CO 0.09 0.11 0.01 -0.76 -3.04 0.00 0.00 177.10 173.51 3chg s LEU 173 N 0.70 3.48 0.03 3.21 1.43 -1.26 -0.55 118.68 125.71 3chg s LEU 173 Ca -0.05 -0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.03 3chg s LEU 173 Cb -0.15 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 3chg s LEU 173 CO 0.02 0.15 -0.05 0.00 0.23 0.00 0.00 176.35 176.71 3chg s ALA 174 N 0.47 3.10 0.16 4.21 0.00 0.77 -2.24 121.76 128.23 3chg s ALA 174 Ca -0.01 -1.05 -0.23 0.00 0.00 0.00 0.00 51.96 50.68 3chg s ALA 174 Cb -0.14 -1.15 0.07 0.00 0.00 0.00 0.00 23.12 21.90 3chg s ALA 174 CO 0.02 0.64 0.59 1.52 0.00 0.00 0.00 175.76 178.53 3chg s TYR 175 N -1.09 -0.51 -0.03 0.00 -0.85 -1.13 -4.19 117.35 109.55 3chg s TYR 175 Ca 0.19 0.28 0.02 0.00 -0.52 0.00 0.00 57.07 57.05 3chg s TYR 175 Cb -0.11 0.55 -0.03 0.00 0.38 0.00 0.00 41.96 42.74 3chg s TYR 175 CO 0.11 -0.86 -0.06 0.08 -1.52 0.00 0.00 175.55 173.30 3chg s VAL 176 N -3.76 3.72 -1.09 -3.49 1.01 -1.26 -2.71 120.40 112.83 3chg s VAL 176 Ca 0.02 -0.64 -0.25 0.00 0.00 0.00 0.00 61.98 61.11 3chg s VAL 176 Cb -0.01 -2.58 -0.18 0.00 0.00 0.00 0.00 36.38 33.61 3chg s VAL 176 CO -0.12 0.47 2.02 0.00 0.00 0.00 0.00 175.10 177.47 3chg n ALA 177 N 1.81 0.98 -3.71 5.51 0.00 -1.26 -4.37 120.51 119.47 3chg n ALA 177 Ca -0.16 -2.61 -0.29 0.00 0.00 0.00 0.00 53.44 50.38 3chg n ALA 177 Cb 0.53 -3.43 -0.17 0.00 0.00 0.00 0.00 19.45 16.39 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 14.13 2.08 0.29 0.00 0.51 -1.26 -4.86 118.94 129.82 3chg s TRP 178 Ca 0.75 -1.01 0.01 0.00 -2.12 0.00 0.00 56.10 53.73 3chg s TRP 178 Cb -0.02 -1.49 0.70 0.00 -0.81 0.00 0.00 33.47 31.85 3chg s TRP 178 CO 0.17 -0.52 1.45 -0.25 -0.51 0.00 0.00 176.95 177.30 3chg n ASP 179 N 4.27 -0.12 0.05 2.95 9.92 -1.26 0.24 116.55 132.60 3chg n ASP 179 Ca -0.19 1.58 -0.13 0.00 -0.53 0.00 0.00 54.79 55.52 3chg n ASP 179 Cb 0.51 -0.57 -0.08 0.00 -0.64 0.00 0.00 41.12 40.34 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 -0.05 0.19 -2.24 4.64 -1.96 -2.11 113.55 112.02 3chg h SER 180 Ca 0.56 -0.14 -0.20 0.00 -0.47 0.00 0.00 61.79 61.54 3chg h SER 180 Cb 1.14 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3chg h SER 180 CO -0.88 0.11 -0.80 -0.33 -0.87 0.00 0.00 176.83 174.06 3chg h GLU 181 N -0.21 0.49 -0.99 4.77 3.07 -0.15 -1.73 114.58 119.82 3chg h GLU 181 Ca -0.01 -0.43 0.19 0.00 -0.50 0.00 0.00 59.36 58.61 3chg h GLU 181 Cb 0.19 0.10 -0.11 0.00 -0.84 0.00 0.00 28.75 28.09 3chg h GLU 181 CO 0.01 1.07 0.60 0.82 -1.40 0.00 0.00 179.01 180.10 3chg h ILE 182 N 0.32 0.70 0.00 3.13 2.04 0.32 -1.85 117.51 122.16 3chg h ILE 182 Ca -0.05 -0.26 -0.08 0.00 1.00 0.00 0.00 64.86 65.47 3chg h ILE 182 Cb 1.40 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3chg h ILE 182 CO 0.14 0.14 -0.40 0.00 0.00 0.00 0.00 178.15 178.03 3chg h ALA 183 N 1.64 0.81 0.01 1.87 0.00 -0.84 -2.90 119.26 119.85 3chg h ALA 183 Ca 0.57 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3chg h ALA 183 Cb 0.89 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3chg h ALA 183 CO -0.39 0.49 -0.09 0.66 0.00 0.00 0.00 179.25 179.93 3chg h SER 184 N 0.00 0.03 -0.48 0.00 4.64 -0.66 -3.30 113.55 113.78 3chg h SER 184 Ca -0.00 -0.98 -0.04 0.00 -0.47 0.00 0.00 61.79 60.30 3chg h SER 184 Cb 1.16 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.22 3chg h SER 184 CO 0.05 1.04 0.16 0.74 -0.87 0.00 0.00 176.83 177.95 3chg h THR 185 N -0.96 1.22 0.00 2.95 2.02 -1.46 -2.08 112.91 114.60 3chg h THR 185 Ca -0.02 -0.73 -0.04 0.00 0.77 0.00 0.00 66.41 66.39 3chg h THR 185 Cb 1.05 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 3chg h THR 185 CO 0.00 0.27 -0.21 0.78 0.37 0.00 0.00 175.52 176.73 3chg h ASN 186 N 0.64 0.00 0.00 4.18 4.21 -1.69 1.49 115.58 124.40 3chg h ASN 186 Ca 0.16 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.67 3chg h ASN 186 Cb 0.25 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.45 3chg h ASN 186 CO -0.01 0.21 -0.00 1.62 -1.29 0.00 0.00 177.43 177.97 3chg h VAL 187 N 0.00 1.69 -0.84 2.81 3.04 -1.62 -3.07 116.25 118.26 3chg h VAL 187 Ca -0.00 -2.04 0.05 0.00 -1.01 0.00 0.00 66.70 63.69 3chg h VAL 187 Cb 0.67 3.08 -0.06 0.00 -2.01 0.00 0.00 31.29 32.97 3chg h VAL 187 CO 0.03 0.53 0.53 0.40 -1.01 0.00 0.00 177.57 178.05 3chg h ILE 188 N -0.87 1.08 0.11 3.17 1.08 -1.11 -1.92 117.51 119.05 3chg h ILE 188 Ca -0.00 -0.34 0.02 0.00 -0.39 0.00 0.00 64.86 64.15 3chg h ILE 188 Cb 0.87 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.59 3chg h ILE 188 CO 0.00 0.18 -0.25 1.23 -0.69 0.00 0.00 178.15 178.62 3chg h GLY 189 N 1.00 -0.46 1.24 5.37 0.00 0.20 -1.78 103.07 108.64 3chg h GLY 189 Ca 0.35 0.29 -0.10 0.00 0.00 0.00 0.00 47.33 47.88 3chg h GLY 189 CO -0.14 -0.22 -0.06 1.70 0.00 0.00 0.00 176.54 177.82 3chg h LYS 190 N -0.45 0.91 0.00 4.80 3.11 -1.49 -0.88 116.57 122.57 3chg h LYS 190 Ca 0.03 -0.30 -0.02 0.00 -2.81 0.00 0.00 60.65 57.56 3chg h LYS 190 Cb 0.48 -0.08 -0.00 0.00 -1.00 0.00 0.00 32.23 31.63 3chg h LYS 190 CO -0.15 0.94 -0.09 0.28 -2.81 0.00 0.00 179.45 177.63 3chg h VAL 191 N 0.82 0.74 0.18 2.00 2.07 -1.03 0.40 116.25 121.43 3chg h VAL 191 Ca 0.14 -0.33 -0.32 0.00 0.82 0.00 0.00 66.70 67.01 3chg h VAL 191 Cb 0.58 1.20 0.01 0.00 -1.52 0.00 0.00 31.29 31.56 3chg h VAL 191 CO 0.04 0.08 -1.56 -0.07 0.02 0.00 0.00 177.57 176.08 3chg h LEU 192 N 0.00 0.61 -2.28 2.57 3.38 -1.15 -3.35 115.31 115.08 3chg h LEU 192 Ca -0.00 -0.92 0.04 0.00 0.09 0.00 0.00 57.88 57.09 3chg h LEU 192 Cb 0.19 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3chg h LEU 192 CO 0.01 1.71 0.14 -0.08 0.09 0.00 0.00 178.44 180.31 3chg h GLU 193 N -0.01 0.00 -0.20 1.13 4.81 -0.05 0.12 114.58 120.38 3chg h GLU 193 Ca -0.30 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.84 3chg h GLU 193 Cb 2.01 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.39 3chg h GLU 193 CO 0.17 0.00 -0.22 -0.44 -0.73 0.00 0.00 179.01 177.79 3chg h ASP 194 N 0.00 0.54 0.00 1.04 3.32 -1.11 -3.27 116.42 116.94 3chg h ASP 194 Ca 0.06 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3chg h ASP 194 Cb 0.35 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3chg h ASP 194 CO -0.00 0.92 0.00 0.18 -1.72 0.00 0.00 179.24 178.62 3chg n LEU 195 N -4.42 0.00 0.00 1.55 4.77 0.41 -4.74 117.00 114.57 3chg n LEU 195 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3chg n LEU 195 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3chg n LEU 195 CO 0.42 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 3chg n GLY 196 N -0.16 3.11 3.52 -0.72 0.00 -1.21 0.24 105.19 109.96 3chg n GLY 196 Ca 0.00 -1.05 -0.52 0.00 0.00 0.00 0.00 46.02 44.45 3chg n GLY 196 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3chg n TYR 197 N 0.00 0.76 -3.39 1.61 4.02 -1.18 -4.08 117.16 114.89 3chg n TYR 197 Ca 0.00 0.85 -0.40 0.00 -0.01 0.00 0.00 57.90 58.34 3chg n TYR 197 Cb 0.00 -2.16 -0.09 0.00 -0.02 0.00 0.00 39.34 37.07 3chg n TYR 197 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 3chg s GLU 198 N -0.34 3.85 -0.17 -0.72 2.12 -1.07 -4.22 118.70 118.15 3chg s GLU 198 Ca 0.77 -0.12 -0.02 0.00 0.36 0.00 0.00 54.97 55.96 3chg s GLU 198 Cb -1.00 -3.71 -0.01 0.00 0.26 0.00 0.00 34.13 29.67 3chg s GLU 198 CO 0.54 -0.37 -0.10 0.08 -0.54 0.00 0.00 175.26 174.87 3chg s VAL 199 N 2.07 3.15 0.10 3.70 1.01 -1.26 -3.99 120.40 125.18 3chg s VAL 199 Ca 0.14 -0.60 0.09 0.00 0.00 0.00 0.00 61.98 61.61 3chg s VAL 199 Cb -0.16 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 3chg s VAL 199 CO 0.11 0.49 -0.18 0.42 0.00 0.00 0.00 175.10 175.93 3chg s THR 200 N 0.81 2.80 0.30 3.92 -4.23 -1.26 -5.12 115.64 112.86 3chg s THR 200 Ca -0.03 -1.46 -0.22 0.00 -1.18 0.00 0.00 61.69 58.80 3chg s THR 200 Cb -0.15 -2.26 -0.09 0.00 1.34 0.00 0.00 72.50 71.33 3chg s THR 200 CO 0.01 0.14 0.84 -0.76 -0.54 0.00 0.00 174.62 174.31 3chg s LEU 201 N -2.01 4.27 -0.39 4.79 1.43 -1.26 -4.08 118.68 121.42 3chg s LEU 201 Ca 0.17 1.61 0.01 0.00 -1.03 0.00 0.00 54.13 54.89 3chg s LEU 201 Cb -0.11 -3.92 0.12 0.00 0.03 0.00 0.00 46.19 42.32 3chg s LEU 201 CO 0.09 -0.08 0.18 -0.89 0.23 0.00 0.00 176.35 175.88 3chg s THR 202 N -1.68 1.28 -0.43 5.49 2.01 -0.95 -5.01 115.64 116.35 3chg s THR 202 Ca 0.49 -2.17 -0.18 0.00 0.31 0.00 0.00 61.69 60.15 3chg s THR 202 Cb -0.16 -1.92 0.03 0.00 0.01 0.00 0.00 72.50 70.46 3chg s THR 202 CO 0.21 -0.81 0.47 -1.58 -0.69 0.00 0.00 174.62 172.22 3chg s GLN 203 N 0.79 3.11 0.00 4.92 0.74 -1.26 -2.84 119.66 125.13 3chg s GLN 203 Ca 0.15 -0.75 0.00 0.00 0.05 0.00 0.00 55.36 54.81 3chg s GLN 203 Cb -0.22 -3.98 0.00 0.00 1.10 0.00 0.00 33.01 29.91 3chg s GLN 203 CO -0.08 -0.90 0.00 1.33 -0.55 0.00 0.00 175.29 175.09 3chg n VAL 204 N 5.49 0.00 -4.07 1.34 0.24 -1.10 -5.03 118.33 115.20 3chg n VAL 204 Ca -0.07 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.02 3chg n VAL 204 Cb 0.47 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.80 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 -2.00 3.06 -0.87 7.34 2.02 -1.26 -4.29 118.70 122.70 3chg s GLU 205 Ca 0.00 -0.98 -0.25 0.00 0.02 0.00 0.00 54.97 53.76 3chg s GLU 205 Cb 0.00 -2.65 -0.10 0.00 0.10 0.00 0.00 34.13 31.48 3chg s GLU 205 CO 0.00 0.41 2.18 0.00 0.02 0.00 0.00 175.26 177.86 3chg s ALA 206 N -2.09 1.14 0.00 5.21 0.00 -1.26 0.70 121.76 125.45 3chg s ALA 206 Ca 0.33 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 51.09 3chg s ALA 206 Cb -0.08 -4.58 0.00 0.00 0.00 0.00 0.00 23.12 18.46 3chg s ALA 206 CO 0.26 -5.49 0.00 0.41 0.00 0.00 0.00 175.76 170.94 3chg n GLY 207 N 6.75 2.18 0.32 0.00 0.00 -1.26 -4.47 105.19 108.72 3chg n GLY 207 Ca 0.44 -0.34 0.15 0.00 0.00 0.00 0.00 46.02 46.27 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 0.46 -0.85 1.61 0.11 -1.87 -0.96 132.00 130.50 3chg h PRO 208 Ca 0.00 -0.03 0.10 0.00 0.11 0.00 0.00 66.00 66.18 3chg h PRO 208 Cb 0.00 -0.10 -0.08 0.00 0.11 0.00 0.00 31.00 30.93 3chg h PRO 208 CO 0.00 0.30 0.49 1.98 -0.21 0.00 0.00 178.00 180.57 3chg h MET 209 N 0.47 0.79 -0.05 1.05 1.85 -0.05 0.43 114.93 119.43 3chg h MET 209 Ca 0.59 -0.05 -0.17 0.00 -0.61 0.00 0.00 59.70 59.46 3chg h MET 209 Cb 1.11 -0.18 -0.01 0.00 0.43 0.00 0.00 31.60 32.95 3chg h MET 209 CO -0.50 0.52 -0.73 -1.49 -0.40 0.00 0.00 176.91 174.31 3chg h TRP 210 N 0.81 0.36 -0.27 1.39 4.06 -1.61 -3.17 115.95 117.52 3chg h TRP 210 Ca 0.41 -0.16 -0.09 0.00 2.06 0.00 0.00 58.89 61.11 3chg h TRP 210 Cb 0.39 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.49 3chg h TRP 210 CO -0.05 0.90 -0.19 1.15 -3.56 0.00 0.00 178.44 176.68 3chg h THR 211 N 0.18 1.30 -0.33 1.49 2.02 -0.59 0.14 112.91 117.11 3chg h THR 211 Ca -0.03 -1.32 0.04 0.00 0.77 0.00 0.00 66.41 65.87 3chg h THR 211 Cb 1.29 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 69.24 3chg h THR 211 CO 0.12 0.42 0.22 0.00 0.37 0.00 0.00 175.52 176.65 3chg h ALA 212 N 0.72 1.93 0.02 6.16 0.00 -0.99 -2.77 119.26 124.32 3chg h ALA 212 Ca 0.05 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.59 3chg h ALA 212 Cb 0.73 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 3chg h ALA 212 CO 0.05 0.02 -2.25 0.44 0.00 0.00 0.00 179.25 177.51 3chg n ILE 213 N -4.49 1.51 -0.37 0.00 -6.64 -1.18 -0.00 119.36 108.19 3chg n ILE 213 Ca 0.03 -0.74 -0.02 0.00 -1.77 0.00 0.00 62.75 60.25 3chg n ILE 213 Cb 0.18 -1.01 0.11 0.00 -1.44 0.00 0.00 39.64 37.48 3chg n ILE 213 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3chg h ALA 214 N 0.58 1.26 -3.00 -1.28 0.00 -0.65 -3.29 119.26 112.88 3chg h ALA 214 Ca -0.50 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3chg h ALA 214 Cb 2.08 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.47 3chg h ALA 214 CO 0.01 0.64 0.00 0.25 0.00 0.00 0.00 179.25 180.15 3chg n THR 215 N -4.40 0.00 0.00 0.00 -2.24 -1.05 -4.68 114.28 101.91 3chg n THR 215 Ca 0.12 0.20 0.00 0.00 -2.27 0.00 0.00 64.05 62.10 3chg n THR 215 Cb 0.01 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 3chg n THR 215 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3chg n GLY 216 N 1.95 0.00 0.27 3.38 0.00 -1.10 -4.56 105.19 105.12 3chg n GLY 216 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3chg n GLY 216 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3chg h SER 217 N 0.00 0.00 -4.26 1.61 0.02 -0.71 -3.42 113.55 106.79 3chg h SER 217 Ca 0.00 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.53 3chg h SER 217 Cb 0.00 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.45 3chg h SER 217 CO 0.00 0.05 -0.33 0.00 -1.14 0.00 0.00 176.83 175.41 3chg n ALA 218 N -2.42 0.37 -0.06 3.77 0.00 -0.16 -5.01 120.51 117.01 3chg n ALA 218 Ca -0.03 -1.51 -0.10 0.00 0.00 0.00 0.00 53.44 51.80 3chg n ALA 218 Cb 0.14 0.95 -0.05 0.00 0.00 0.00 0.00 19.45 20.50 3chg n ALA 218 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3chg n ASP 219 N -1.53 2.06 -3.83 0.00 9.92 -1.05 -4.64 116.55 117.48 3chg n ASP 219 Ca -0.07 0.04 -0.09 0.00 -0.53 0.00 0.00 54.79 54.13 3chg n ASP 219 Cb 0.44 -0.25 -0.06 0.00 -0.64 0.00 0.00 41.12 40.61 3chg n ASP 219 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3chg s ALA 220 N -2.21 -0.40 -0.13 2.24 0.00 0.28 -1.01 121.76 120.54 3chg s ALA 220 Ca -0.15 -0.53 -0.21 0.00 0.00 0.00 0.00 51.96 51.06 3chg s ALA 220 Cb 0.05 0.71 0.05 0.00 0.00 0.00 0.00 23.12 23.93 3chg s ALA 220 CO 0.23 -0.63 0.53 0.45 0.00 0.00 0.00 175.76 176.34 3chg s SER 221 N -2.89 -0.52 -0.29 0.00 0.15 -0.20 -0.16 113.70 109.80 3chg s SER 221 Ca 0.09 0.80 0.09 0.00 0.70 0.00 0.00 55.95 57.62 3chg s SER 221 Cb 0.03 0.81 0.48 0.00 -1.71 0.00 0.00 66.02 65.63 3chg s SER 221 CO -0.06 -0.35 1.41 0.18 1.20 0.00 0.00 173.24 175.61 3chg n LEU 222 N 1.99 4.03 -0.49 3.45 7.99 -1.26 -1.01 117.00 131.70 3chg n LEU 222 Ca -0.17 -3.93 0.06 0.00 -0.01 0.00 0.00 56.01 51.97 3chg n LEU 222 Cb 0.56 -0.60 0.05 0.00 -0.11 0.00 0.00 43.42 43.32 3chg n LEU 222 CO 0.15 1.39 0.45 -1.20 -1.51 0.00 0.00 177.39 176.67 3chg n SER 223 N -1.08 2.03 -4.57 -1.43 7.64 -1.25 -4.75 113.62 110.20 3chg n SER 223 Ca 0.32 -1.52 -0.40 0.00 1.01 0.00 0.00 58.87 58.29 3chg n SER 223 Cb 0.95 -0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 64.12 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 -1.02 2.41 -0.40 -0.43 0.00 -1.17 -4.90 121.76 116.25 3chg s ALA 224 Ca 0.14 -0.25 -0.17 0.00 0.00 0.00 0.00 51.96 51.68 3chg s ALA 224 Cb 0.10 -4.19 0.01 0.00 0.00 0.00 0.00 23.12 19.04 3chg s ALA 224 CO 0.15 -3.43 0.46 -1.58 0.00 0.00 0.00 175.76 171.37 3chg s TRP 225 N 8.41 3.16 0.23 0.00 0.52 -1.26 0.14 118.94 130.13 3chg s TRP 225 Ca 0.74 -0.17 0.01 0.00 0.02 0.00 0.00 56.10 56.69 3chg s TRP 225 Cb -0.17 -2.92 -0.05 0.00 -1.15 0.00 0.00 33.47 29.19 3chg s TRP 225 CO 0.26 -0.65 0.09 -0.51 0.02 0.00 0.00 176.95 176.16 3chg s LEU 226 N 2.25 1.59 0.22 2.99 2.01 0.15 -2.25 118.68 125.65 3chg s LEU 226 Ca 0.15 -1.35 0.16 0.00 0.01 0.00 0.00 54.13 53.10 3chg s LEU 226 Cb -0.16 0.10 0.02 0.00 0.01 0.00 0.00 46.19 46.15 3chg s LEU 226 CO 0.14 -0.73 1.26 -0.65 1.01 0.00 0.00 176.35 177.37 3chg h PRO 227 N 2.49 0.00 0.16 1.29 0.11 -1.87 0.14 132.00 134.31 3chg h PRO 227 Ca -0.37 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 3chg h PRO 227 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3chg h PRO 227 CO 0.59 0.39 -0.08 -0.97 -0.21 0.00 0.00 178.00 177.73 3chg h ASN 228 N 0.00 -0.18 0.72 -2.05 -0.00 -1.92 -1.62 115.58 110.53 3chg h ASN 228 Ca -0.05 -0.36 0.00 0.00 -0.00 0.00 0.00 56.30 55.89 3chg h ASN 228 Cb 1.40 0.05 0.00 0.00 -0.00 0.00 0.00 38.32 39.77 3chg h ASN 228 CO 0.05 0.34 0.00 0.00 -0.00 0.00 0.00 177.43 177.83 3chg h THR 229 N -0.79 0.00 0.00 -3.57 1.03 -1.88 -1.28 112.91 106.42 3chg h THR 229 Ca -0.02 -0.28 -0.01 0.00 -0.01 0.00 0.00 66.41 66.08 3chg h THR 229 Cb 0.53 1.07 -0.03 0.00 -1.07 0.00 0.00 68.15 68.65 3chg h THR 229 CO 0.04 0.00 -0.31 1.41 -0.01 0.00 0.00 175.52 176.64 3chg n HIS 230 N -2.51 0.00 -0.28 0.00 8.25 -0.95 -4.38 115.22 115.34 3chg n HIS 230 Ca 0.01 -1.02 0.12 0.00 -0.26 0.00 0.00 57.72 56.58 3chg n HIS 230 Cb 0.23 -0.17 0.24 0.00 1.12 0.00 0.00 29.99 31.41 3chg n HIS 230 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3chg n LYS 231 N -1.01 -0.07 0.37 -0.41 4.81 -0.49 -0.35 118.16 121.02 3chg n LYS 231 Ca 0.14 1.23 -0.18 0.00 -0.87 0.00 0.00 58.31 58.64 3chg n LYS 231 Cb 0.71 -1.95 -0.09 0.00 0.02 0.00 0.00 35.03 33.72 3chg n LYS 231 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3chg h ALA 232 N 1.64 -0.92 -0.24 3.14 0.00 -1.86 -2.07 119.26 118.95 3chg h ALA 232 Ca 0.50 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 3chg h ALA 232 Cb 1.02 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 3chg h ALA 232 CO -0.77 -0.98 -0.26 1.88 0.00 0.00 0.00 179.25 179.12 3chg h TYR 233 N -0.98 0.52 -0.11 0.00 0.05 -1.06 0.03 116.97 115.41 3chg h TYR 233 Ca -0.09 -0.11 -0.14 0.00 0.05 0.00 0.00 58.73 58.44 3chg h TYR 233 Cb 0.72 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.32 3chg h TYR 233 CO -0.02 0.68 -0.52 0.00 -1.05 0.00 0.00 178.16 177.25 3chg h ALA 234 N 1.32 0.90 0.00 3.88 0.00 -0.92 -3.04 119.26 121.40 3chg h ALA 234 Ca 0.06 -0.49 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 3chg h ALA 234 Cb 0.67 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3chg h ALA 234 CO 0.05 0.68 -0.63 0.00 0.00 0.00 0.00 179.25 179.34 3chg h ALA 235 N 1.20 0.69 -0.92 0.00 0.00 -0.96 -3.24 119.26 116.04 3chg h ALA 235 Ca 0.01 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 3chg h ALA 235 Cb 1.01 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 3chg h ALA 235 CO 0.09 0.79 0.52 -0.22 0.00 0.00 0.00 179.25 180.42 3chg h LYS 236 N 0.00 1.27 -1.94 0.00 3.64 -0.88 -3.13 116.57 115.54 3chg h LYS 236 Ca -0.01 -0.14 -0.61 0.00 -1.27 0.00 0.00 60.65 58.63 3chg h LYS 236 Cb 1.35 -0.25 -0.41 0.00 -0.41 0.00 0.00 32.23 32.50 3chg h LYS 236 CO 0.08 0.91 -0.55 0.66 -2.27 0.00 0.00 179.45 178.29 3chg n TYR 237 N -4.34 3.69 -0.32 1.91 4.01 -1.21 -4.97 117.16 115.92 3chg n TYR 237 Ca 0.10 -3.49 -0.02 0.00 -0.16 0.00 0.00 57.90 54.32 3chg n TYR 237 Cb 0.09 -0.36 0.01 0.00 -0.31 0.00 0.00 39.34 38.77 3chg n TYR 237 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 3chg n LYS 238 N -0.36 -0.22 -2.58 -0.72 4.81 -1.18 -2.06 118.16 115.85 3chg n LYS 238 Ca 0.36 1.27 -0.25 0.00 -0.87 0.00 0.00 58.31 58.82 3chg n LYS 238 Cb 0.50 -1.88 -0.00 0.00 0.02 0.00 0.00 35.03 33.67 3chg n LYS 238 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3chg n GLY 239 N -1.36 5.36 0.88 3.14 0.00 -1.26 -4.76 105.19 107.18 3chg n GLY 239 Ca 0.07 -2.57 0.04 0.00 0.00 0.00 0.00 46.02 43.56 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 -0.38 0.38 -3.51 1.61 4.01 -0.87 -5.08 118.16 114.31 3chg n LYS 240 Ca 0.34 -1.93 -0.14 0.00 -0.51 0.00 0.00 58.31 56.08 3chg n LYS 240 Cb 0.64 -0.57 -0.04 0.00 -0.51 0.00 0.00 35.03 34.55 3chg n LYS 240 CO 0.00 0.00 0.00 1.52 -1.11 0.00 0.00 177.40 177.81 3chg s TYR 241 N -0.80 -0.50 -0.35 2.13 -0.85 -1.26 -4.27 117.35 111.46 3chg s TYR 241 Ca 0.23 0.50 -0.12 0.00 -0.52 0.00 0.00 57.07 57.16 3chg s TYR 241 Cb 0.25 0.43 -0.00 0.00 0.38 0.00 0.00 41.96 43.02 3chg s TYR 241 CO -0.08 -0.72 0.22 -0.51 -1.52 0.00 0.00 175.55 172.94 3chg s ASP 242 N -2.19 5.86 -1.07 -0.18 -0.00 0.16 -4.86 116.67 114.40 3chg s ASP 242 Ca -0.03 -0.62 -0.06 0.00 -0.00 0.00 0.00 52.55 51.83 3chg s ASP 242 Cb -0.00 -2.08 0.28 0.00 -0.00 0.00 0.00 42.92 41.11 3chg s ASP 242 CO -0.05 -0.28 1.16 -0.67 -0.00 0.00 0.00 175.17 175.34 3chg n ASP 243 N 5.06 5.55 -0.11 0.27 -0.08 -1.26 -0.32 116.55 125.65 3chg n ASP 243 Ca -0.13 -3.17 0.10 0.00 -1.51 0.00 0.00 54.79 50.09 3chg n ASP 243 Cb 0.48 -1.29 -0.09 0.00 2.34 0.00 0.00 41.12 42.57 3chg n ASP 243 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 3chg n ILE 244 N 2.20 0.00 -3.79 5.18 -0.00 -1.10 -4.95 119.36 116.90 3chg n ILE 244 Ca 0.24 -0.06 -0.13 0.00 -0.00 0.00 0.00 62.75 62.81 3chg n ILE 244 Cb 0.37 1.05 -0.13 0.00 -0.00 0.00 0.00 39.64 40.93 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 -2.88 -0.13 -0.29 3.28 0.00 -1.19 -4.61 107.32 101.49 3chg s GLY 245 Ca 0.10 0.62 -0.07 0.00 0.00 0.00 0.00 44.72 45.38 3chg s GLY 245 CO 0.80 0.65 0.08 -1.59 0.00 0.00 0.00 173.10 173.04 3chg s THR 246 N 0.41 3.97 -0.04 0.90 2.01 -1.26 0.57 115.64 122.19 3chg s THR 246 Ca -0.03 -0.68 -0.22 0.00 0.31 0.00 0.00 61.69 61.07 3chg s THR 246 Cb -0.04 -3.04 -0.29 0.00 0.01 0.00 0.00 72.50 69.14 3chg s THR 246 CO -0.02 0.09 0.94 0.28 -0.69 0.00 0.00 174.62 175.22 3chg h SER 247 N 8.23 0.43 -3.92 3.53 0.02 -1.66 -3.43 113.55 116.75 3chg h SER 247 Ca -0.32 -0.90 -0.15 0.00 -0.84 0.00 0.00 61.79 59.58 3chg h SER 247 Cb 1.13 -0.14 -0.25 0.00 0.14 0.00 0.00 62.40 63.28 3chg h SER 247 CO 0.60 1.29 -0.38 -0.32 -1.14 0.00 0.00 176.83 176.88 3chg s MET 248 N -2.63 0.35 0.33 3.45 1.75 -1.25 -2.62 119.30 118.68 3chg s MET 248 Ca -0.14 0.35 0.07 0.00 -1.25 0.00 0.00 55.69 54.72 3chg s MET 248 Cb 0.01 0.17 -0.03 0.00 2.84 0.00 0.00 34.83 37.82 3chg s MET 248 CO 0.81 -0.05 0.30 0.95 -0.65 0.00 0.00 175.02 176.39 3chg s THR 249 N 0.04 3.68 -1.20 10.11 -4.23 -1.26 -3.15 115.64 119.63 3chg s THR 249 Ca -0.01 -1.33 -0.16 0.00 -1.18 0.00 0.00 61.69 59.01 3chg s THR 249 Cb -0.02 -3.23 -0.01 0.00 1.34 0.00 0.00 72.50 70.58 3chg s THR 249 CO 0.01 -0.19 0.72 0.61 -0.54 0.00 0.00 174.62 175.23 3chg n GLY 250 N -1.39 -0.81 3.73 3.99 0.00 -1.22 -4.97 105.19 104.51 3chg n GLY 250 Ca -0.02 0.38 -0.35 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.57 5.38 0.26 1.61 -7.23 -1.13 -4.98 120.40 110.74 3chg s VAL 251 Ca 0.37 0.30 0.06 0.00 -1.81 0.00 0.00 61.98 60.89 3chg s VAL 251 Cb -0.13 -3.52 -0.03 0.00 0.56 0.00 0.00 36.38 33.26 3chg s VAL 251 CO 0.87 0.42 0.35 -0.54 -0.31 0.00 0.00 175.10 175.88 3chg s LYS 252 N 0.42 3.28 -0.12 4.82 -0.14 -1.05 -4.12 119.74 122.84 3chg s LYS 252 Ca 0.11 -0.87 -0.30 0.00 -1.36 0.00 0.00 55.97 53.55 3chg s LYS 252 Cb -0.12 -2.81 0.11 0.00 -1.68 0.00 0.00 37.83 33.34 3chg s LYS 252 CO -0.00 0.36 0.93 0.00 -0.76 0.00 0.00 175.35 175.88 3chg s MET 253 N -3.99 0.70 0.00 1.68 0.23 -1.26 -0.09 119.30 116.58 3chg s MET 253 Ca 0.36 0.10 0.00 0.00 -1.03 0.00 0.00 55.69 55.12 3chg s MET 253 Cb -0.09 0.33 0.00 0.00 -1.53 0.00 0.00 34.83 33.54 3chg s MET 253 CO 0.29 -0.23 0.00 0.41 -2.03 0.00 0.00 175.02 173.45 3chg n GLY 254 N 0.62 0.06 3.64 3.16 0.00 0.46 -4.97 105.19 108.16 3chg n GLY 254 Ca -0.11 -1.14 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 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 4.10 -0.14 0.99 1.43 -1.26 -0.11 118.68 123.70 3chg s LEU 255 Ca 0.00 0.75 0.02 0.00 -1.03 0.00 0.00 54.13 53.87 3chg s LEU 255 Cb 0.00 -2.85 0.01 0.00 0.03 0.00 0.00 46.19 43.38 3chg s LEU 255 CO 0.00 -0.32 -0.21 -0.69 0.23 0.00 0.00 176.35 175.36 3chg s VAL 256 N 2.21 2.16 0.10 -1.59 1.01 -0.74 -1.67 120.40 121.88 3chg s VAL 256 Ca 0.27 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.38 3chg s VAL 256 Cb -0.16 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 3chg s VAL 256 CO 0.09 0.55 -0.17 0.68 0.00 0.00 0.00 175.10 176.24 3chg s VAL 257 N 0.77 2.87 0.33 2.92 -7.23 0.19 -1.60 120.40 118.64 3chg s VAL 257 Ca -0.08 -1.42 -0.29 0.00 -1.81 0.00 0.00 61.98 58.39 3chg s VAL 257 Cb -0.16 -2.30 -0.12 0.00 0.56 0.00 0.00 36.38 34.36 3chg s VAL 257 CO -0.01 0.15 1.39 -0.81 -0.31 0.00 0.00 175.10 175.52 3chg n PRO 258 N 0.95 2.31 -0.30 4.82 -0.04 -1.26 -1.35 135.00 140.13 3chg n PRO 258 Ca -0.16 0.81 0.16 0.00 -0.04 0.00 0.00 63.50 64.28 3chg n PRO 258 Cb 0.53 -2.47 0.43 0.00 -0.04 0.00 0.00 33.50 31.94 3chg n PRO 258 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 3chg h GLN 259 N 3.21 0.55 0.00 0.54 4.15 -1.03 -1.26 115.11 121.27 3chg h GLN 259 Ca -0.47 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.92 3chg h GLN 259 Cb 1.26 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.83 3chg h GLN 259 CO 0.67 0.37 0.00 2.48 -1.93 0.00 0.00 178.83 180.42 3chg n TYR 260 N -4.62 0.00 -1.81 3.99 0.18 -1.26 -2.64 117.16 111.00 3chg n TYR 260 Ca 0.21 0.00 -0.36 0.00 1.88 0.00 0.00 57.90 59.64 3chg n TYR 260 Cb 0.65 -0.45 -0.02 0.00 -0.38 0.00 0.00 39.34 39.13 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 -1.45 3.91 -0.57 -3.48 2.81 -0.48 -4.87 117.12 112.99 3chg n MET 261 Ca 0.01 -3.06 -0.13 0.00 -1.81 0.00 0.00 57.70 52.71 3chg n MET 261 Cb 0.02 -2.49 -0.05 0.00 -0.71 0.00 0.00 33.22 30.00 3chg n MET 261 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 3chg n LYS 262 N 1.56 1.43 0.00 0.03 2.85 -1.08 -2.34 118.16 120.61 3chg n LYS 262 Ca 0.59 -0.94 0.00 0.00 -1.05 0.00 0.00 58.31 56.91 3chg n LYS 262 Cb 0.35 -2.09 0.00 0.00 -0.65 0.00 0.00 35.03 32.64 3chg n LYS 262 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3chg n ASN 263 N 3.57 0.00 -4.14 -5.58 4.13 -1.26 -5.05 115.26 106.92 3chg n ASN 263 Ca 0.31 0.00 -0.38 0.00 1.68 0.00 0.00 54.58 56.19 3chg n ASN 263 Cb 0.27 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.41 3chg n ASN 263 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3chg s VAL 264 N 0.00 3.68 -0.13 2.41 1.01 -0.99 -4.91 120.40 121.47 3chg s VAL 264 Ca 0.00 -2.24 0.10 0.00 0.00 0.00 0.00 61.98 59.84 3chg s VAL 264 Cb 0.00 -3.46 -0.15 0.00 0.00 0.00 0.00 36.38 32.78 3chg s VAL 264 CO 0.00 -0.77 0.02 0.59 0.00 0.00 0.00 175.10 174.94 3chg n ASN 265 N 4.37 2.01 -4.58 3.32 3.02 -1.26 -4.92 115.26 117.22 3chg n ASN 265 Ca -0.00 -0.01 -0.28 0.00 -0.03 0.00 0.00 54.58 54.25 3chg n ASN 265 Cb 0.40 0.66 -0.10 0.00 -0.61 0.00 0.00 39.78 40.14 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 -4.69 4.35 0.43 6.41 0.15 -1.26 0.11 113.70 119.19 3chg s SER 266 Ca -0.08 -0.47 0.19 0.00 0.70 0.00 0.00 55.95 56.29 3chg s SER 266 Cb 0.04 -0.79 1.12 0.00 -1.71 0.00 0.00 66.02 64.68 3chg s SER 266 CO 0.50 0.14 1.87 0.40 1.20 0.00 0.00 173.24 177.35 3chg h ILE 267 N 3.02 0.68 -0.83 6.45 2.04 -1.71 -1.47 117.51 125.68 3chg h ILE 267 Ca -0.48 -0.12 0.10 0.00 1.00 0.00 0.00 64.86 65.36 3chg h ILE 267 Cb 1.18 0.29 -0.06 0.00 -0.74 0.00 0.00 36.82 37.49 3chg h ILE 267 CO 0.53 0.07 0.54 -0.33 0.00 0.00 0.00 178.15 178.96 3chg h GLU 268 N 0.36 0.74 0.00 2.37 5.08 -1.91 -2.56 114.58 118.67 3chg h GLU 268 Ca 0.45 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 3chg h GLU 268 Cb 1.17 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.25 3chg h GLU 268 CO -0.15 0.49 0.00 -0.25 -1.00 0.00 0.00 179.01 178.10 3chg n ASP 269 N -4.52 0.00 -0.07 1.42 10.43 -0.55 -3.11 116.55 120.15 3chg n ASP 269 Ca 0.14 -0.59 -0.15 0.00 2.57 0.00 0.00 54.79 56.76 3chg n ASP 269 Cb 0.34 0.00 -0.05 0.00 1.84 0.00 0.00 41.12 43.25 3chg n ASP 269 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3chg h LEU 270 N 0.00 0.95 -6.00 0.64 4.07 -1.63 -3.08 115.31 110.26 3chg h LEU 270 Ca 0.00 -0.55 -0.78 0.00 0.08 0.00 0.00 57.88 56.63 3chg h LEU 270 Cb 0.00 -0.28 -0.20 0.00 1.08 0.00 0.00 40.66 41.27 3chg h LEU 270 CO 0.00 1.33 1.70 2.29 -1.08 0.00 0.00 178.44 182.69 3chg n LYS 271 N -4.02 4.96 0.00 1.13 2.85 -1.18 -5.15 118.16 116.75 3chg n LYS 271 Ca -0.05 -4.07 0.00 0.00 -1.05 0.00 0.00 58.31 53.14 3chg n LYS 271 Cb 0.64 -2.56 0.00 0.00 -0.65 0.00 0.00 35.03 32.46 3chg n LYS 271 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98