#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3chg s THR 17 N 0.00 0.15 0.11 3.15 -4.23 -1.26 -4.06 115.64 109.50 3chg s THR 17 Ca 0.00 -1.22 0.06 0.00 -1.18 0.00 0.00 61.69 59.35 3chg s THR 17 Cb 0.00 -1.33 -0.04 0.00 1.34 0.00 0.00 72.50 72.47 3chg s THR 17 CO 0.00 -0.68 -0.05 -0.63 -0.54 0.00 0.00 174.62 172.73 3chg s ILE 18 N -3.78 3.68 -0.21 2.99 -1.09 -0.57 -4.31 121.20 117.91 3chg s ILE 18 Ca 0.04 -1.18 -0.06 0.00 -2.23 0.00 0.00 60.65 57.22 3chg s ILE 18 Cb 0.05 -2.76 -0.03 0.00 -1.58 0.00 0.00 42.46 38.14 3chg s ILE 18 CO -0.10 0.08 0.04 -0.63 -1.23 0.00 0.00 174.94 173.10 3chg s ILE 19 N -1.34 4.31 0.11 2.92 1.01 0.15 -1.85 121.20 126.51 3chg s ILE 19 Ca 0.24 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.71 3chg s ILE 19 Cb -0.11 -2.97 0.00 0.00 0.01 0.00 0.00 42.46 39.39 3chg s ILE 19 CO 0.16 0.40 0.03 0.61 0.00 0.00 0.00 174.94 176.15 3chg n GLY 20 N 4.31 3.67 0.00 6.18 0.00 -0.53 -0.99 105.19 117.82 3chg n GLY 20 Ca -0.17 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.45 0.00 -1.61 -0.61 -5.35 -1.26 -3.83 119.36 106.25 3chg n ILE 21 Ca -0.03 0.00 -0.45 0.00 -0.27 0.00 0.00 62.75 62.00 3chg n ILE 21 Cb 0.13 -0.22 -0.02 0.00 -1.74 0.00 0.00 39.64 37.79 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 0.00 1.70 -0.17 7.28 5.75 -1.24 -2.55 116.55 127.32 3chg n ASP 22 Ca 0.00 1.17 -0.05 0.00 -0.01 0.00 0.00 54.79 55.90 3chg n ASP 22 Cb 0.00 -1.32 0.01 0.00 -1.03 0.00 0.00 41.12 38.78 3chg n ASP 22 CO 0.00 0.00 0.00 -0.65 -0.11 0.00 0.00 177.20 176.44 3chg h PRO 23 N 2.63 -0.16 -0.94 0.11 0.11 -1.91 -2.54 132.00 129.30 3chg h PRO 23 Ca -0.42 0.01 -0.30 0.00 0.11 0.00 0.00 66.00 65.41 3chg h PRO 23 Cb 1.32 0.04 -0.18 0.00 0.11 0.00 0.00 31.00 32.29 3chg h PRO 23 CO 0.65 -0.10 0.38 0.41 -0.21 0.00 0.00 178.00 179.12 3chg n GLY 24 N -1.43 3.53 3.86 -0.55 0.00 -1.26 -4.75 105.19 104.60 3chg n GLY 24 Ca 0.04 -0.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.61 6.71 0.20 1.61 1.04 -0.96 -4.52 113.70 117.17 3chg s SER 25 Ca 0.40 1.08 -0.16 0.00 0.48 0.00 0.00 55.95 57.75 3chg s SER 25 Cb 0.33 -2.29 0.19 0.00 0.10 0.00 0.00 66.02 64.35 3chg s SER 25 CO 0.08 -0.11 1.61 1.23 0.98 0.00 0.00 173.24 177.03 3chg h GLY 26 N 2.51 0.26 2.00 7.32 0.00 -1.90 -1.53 103.07 111.72 3chg h GLY 26 Ca -0.47 0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 3chg h GLY 26 CO 0.67 -0.23 -0.29 1.19 0.00 0.00 0.00 176.54 177.88 3chg h ILE 27 N -0.07 0.99 -0.11 2.60 2.10 -1.95 -2.95 117.51 118.12 3chg h ILE 27 Ca 0.28 -1.07 -0.11 0.00 1.08 0.00 0.00 64.86 65.03 3chg h ILE 27 Cb 0.50 1.61 -0.01 0.00 -1.09 0.00 0.00 36.82 37.83 3chg h ILE 27 CO -0.65 0.28 -0.43 -0.03 -1.08 0.00 0.00 178.15 176.24 3chg h MET 28 N 0.00 0.26 -0.00 2.19 4.05 -1.58 -1.32 114.93 118.53 3chg h MET 28 Ca -0.00 -0.13 0.00 0.00 -0.28 0.00 0.00 59.70 59.28 3chg h MET 28 Cb 0.59 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.39 3chg h MET 28 CO 0.04 0.65 -0.02 -1.13 0.23 0.00 0.00 176.91 176.68 3chg n SER 29 N -4.01 0.46 -0.00 1.39 3.41 -1.10 -3.25 113.62 110.53 3chg n SER 29 Ca -0.02 -0.98 0.05 0.00 -0.26 0.00 0.00 58.87 57.66 3chg n SER 29 Cb 0.50 -0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.35 3chg n SER 29 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3chg n LEU 30 N -0.72 0.42 0.06 1.04 4.77 -0.72 -4.23 117.00 117.62 3chg n LEU 30 Ca 0.20 -0.43 -0.18 0.00 -0.03 0.00 0.00 56.01 55.57 3chg n LEU 30 Cb 0.21 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.21 3chg n LEU 30 CO 0.19 0.10 0.08 0.74 -1.33 0.00 0.00 177.39 177.17 3chg h THR 31 N 0.00 1.33 -0.61 -5.08 2.02 -1.25 -2.90 112.91 106.42 3chg h THR 31 Ca 0.00 -2.39 0.07 0.00 0.77 0.00 0.00 66.41 64.86 3chg h THR 31 Cb 0.28 2.48 -0.06 0.00 -1.74 0.00 0.00 68.15 69.11 3chg h THR 31 CO 0.00 0.73 0.29 0.44 0.37 0.00 0.00 175.52 177.34 3chg h ASP 32 N 0.31 0.37 0.78 4.18 3.32 -1.75 0.13 116.42 123.75 3chg h ASP 32 Ca -0.13 0.05 -0.17 0.00 0.02 0.00 0.00 57.03 56.80 3chg h ASP 32 Cb 1.72 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 41.23 3chg h ASP 32 CO 0.20 0.24 -0.82 0.50 -1.72 0.00 0.00 179.24 177.64 3chg h LYS 33 N 0.52 0.03 -0.41 3.56 3.64 -1.74 -3.09 116.57 119.08 3chg h LYS 33 Ca 0.29 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.54 3chg h LYS 33 Cb 0.26 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3chg h LYS 33 CO -0.23 0.83 -0.15 0.00 -2.27 0.00 0.00 179.45 177.62 3chg h ALA 34 N 1.16 0.95 0.00 5.00 0.00 -1.21 0.53 119.26 125.70 3chg h ALA 34 Ca -0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3chg h ALA 34 Cb 1.44 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3chg h ALA 34 CO 0.11 0.61 -0.07 0.52 0.00 0.00 0.00 179.25 180.42 3chg h MET 35 N 0.69 0.00 0.02 0.00 2.86 -0.75 -1.45 114.93 116.31 3chg h MET 35 Ca 0.11 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.56 3chg h MET 35 Cb 0.64 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 3chg h MET 35 CO 0.05 0.07 -1.04 0.87 1.06 0.00 0.00 176.91 177.92 3chg h LYS 36 N 0.00 0.05 -0.41 1.72 1.57 -1.35 0.14 116.57 118.29 3chg h LYS 36 Ca -0.00 -0.08 0.12 0.00 -1.87 0.00 0.00 60.65 58.82 3chg h LYS 36 Cb 0.17 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 3chg h LYS 36 CO 0.01 1.04 0.30 -0.44 -0.57 0.00 0.00 179.45 179.79 3chg h ASP 37 N -0.85 0.00 0.00 0.86 5.19 0.21 -3.13 116.42 118.70 3chg h ASP 37 Ca -0.27 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.14 3chg h ASP 37 Cb 1.34 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.85 3chg h ASP 37 CO -0.11 0.00 -1.02 -1.22 -3.12 0.00 0.00 179.24 173.77 3chg n TYR 38 N -4.35 0.00 0.00 4.55 4.02 -0.56 -5.04 117.16 115.78 3chg n TYR 38 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.96 3chg n TYR 38 Cb 0.49 -0.07 0.00 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 -1.54 0.00 -2.61 7.72 8.00 -0.91 -4.90 116.55 122.32 3chg n ASP 39 Ca -0.00 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.26 3chg n ASP 39 Cb 0.08 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.18 3chg n ASP 39 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3chg n LEU 40 N 0.00 3.88 -0.09 0.64 4.77 0.43 -4.86 117.00 121.76 3chg n LEU 40 Ca 0.00 -4.97 0.03 0.00 -0.03 0.00 0.00 56.01 51.04 3chg n LEU 40 Cb 0.00 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 40.83 3chg n LEU 40 CO 0.00 2.12 0.11 0.59 -1.33 0.00 0.00 177.39 178.88 3chg n ASN 41 N -0.34 0.73 -1.25 -1.43 4.13 -1.26 -2.58 115.26 113.26 3chg n ASN 41 Ca 0.31 -0.86 0.02 0.00 1.68 0.00 0.00 54.58 55.73 3chg n ASN 41 Cb 0.66 0.68 0.20 0.00 -1.54 0.00 0.00 39.78 39.78 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 -0.66 3.43 -4.77 6.41 5.75 -1.26 -4.92 116.55 120.54 3chg n ASP 42 Ca 0.02 -2.51 -0.22 0.00 -0.01 0.00 0.00 54.79 52.07 3chg n ASP 42 Cb 0.13 -0.60 -0.05 0.00 -1.03 0.00 0.00 41.12 39.56 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 -1.89 3.00 -0.05 2.11 0.52 -1.06 -4.90 118.94 116.67 3chg s TRP 43 Ca 0.28 -0.14 -0.03 0.00 0.02 0.00 0.00 56.10 56.24 3chg s TRP 43 Cb 0.22 -1.35 0.02 0.00 -1.15 0.00 0.00 33.47 31.21 3chg s TRP 43 CO 0.08 0.55 0.11 0.99 0.02 0.00 0.00 176.95 178.70 3chg s THR 44 N -2.15 -0.02 -0.35 2.01 2.01 -1.26 -5.05 115.64 110.83 3chg s THR 44 Ca 0.32 0.09 -0.16 0.00 0.31 0.00 0.00 61.69 62.25 3chg s THR 44 Cb -0.08 -0.18 -0.01 0.00 0.01 0.00 0.00 72.50 72.24 3chg s THR 44 CO 0.23 0.04 0.39 -0.22 -0.69 0.00 0.00 174.62 174.37 3chg s LEU 45 N 0.56 4.43 -0.52 4.42 2.96 -1.26 -1.52 118.68 127.76 3chg s LEU 45 Ca -0.04 -0.21 -0.25 0.00 -0.22 0.00 0.00 54.13 53.41 3chg s LEU 45 Cb -0.06 -2.38 0.03 0.00 0.50 0.00 0.00 46.19 44.28 3chg s LEU 45 CO -0.02 -0.37 0.98 -0.63 -1.32 0.00 0.00 176.35 174.98 3chg s ILE 46 N 2.09 4.36 -0.26 6.68 -1.09 -0.77 -4.96 121.20 127.24 3chg s ILE 46 Ca 0.13 0.56 -0.29 0.00 -2.23 0.00 0.00 60.65 58.82 3chg s ILE 46 Cb -0.16 -4.53 -0.00 0.00 -1.58 0.00 0.00 42.46 36.18 3chg s ILE 46 CO 0.12 -1.05 1.28 -0.44 -1.23 0.00 0.00 174.94 173.62 3chg s SER 47 N 2.64 6.76 0.00 3.58 0.01 -1.26 -1.46 113.70 123.98 3chg s SER 47 Ca 0.35 1.34 0.00 0.00 1.31 0.00 0.00 55.95 58.95 3chg s SER 47 Cb -0.11 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.58 3chg s SER 47 CO 0.23 -0.98 0.00 0.00 0.41 0.00 0.00 173.24 172.90 3chg n ALA 48 N 7.29 0.00 -2.52 1.44 0.00 -1.06 -4.91 120.51 120.76 3chg n ALA 48 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.50 3chg n ALA 48 Cb 0.46 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.82 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 0.23 0.35 0.00 0.01 -1.26 -3.60 113.70 110.43 3chg s SER 49 Ca 0.00 -0.68 0.08 0.00 1.31 0.00 0.00 55.95 56.66 3chg s SER 49 Cb 0.00 0.25 0.79 0.00 0.21 0.00 0.00 66.02 67.27 3chg s SER 49 CO 0.00 -0.60 1.89 0.28 0.41 0.00 0.00 173.24 175.22 3chg h SER 50 N 3.26 0.67 -0.88 2.44 0.02 -1.91 -1.46 113.55 115.69 3chg h SER 50 Ca -0.33 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 60.68 3chg h SER 50 Cb 1.18 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.56 3chg h SER 50 CO 0.56 0.36 0.57 0.00 -1.14 0.00 0.00 176.83 177.18 3chg h ALA 51 N 1.59 1.16 0.01 3.77 0.00 -1.96 -3.12 119.26 120.71 3chg h ALA 51 Ca 0.42 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.99 3chg h ALA 51 Cb 0.62 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 3chg h ALA 51 CO -0.18 0.44 -1.77 0.00 0.00 0.00 0.00 179.25 177.74 3chg n ALA 52 N -2.35 1.42 -0.12 0.00 0.00 -0.98 -3.44 120.51 115.05 3chg n ALA 52 Ca 0.11 -0.77 -0.11 0.00 0.00 0.00 0.00 53.44 52.67 3chg n ALA 52 Cb 0.08 -0.81 -0.08 0.00 0.00 0.00 0.00 19.45 18.64 3chg n ALA 52 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3chg h MET 53 N 0.01 -0.31 0.00 0.00 4.05 -1.22 0.13 114.93 117.59 3chg h MET 53 Ca -0.31 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.13 3chg h MET 53 Cb 2.02 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 32.89 3chg h MET 53 CO 0.08 -0.20 0.00 1.79 0.23 0.00 0.00 176.91 178.80 3chg h THR 54 N -0.32 0.00 -0.12 -0.77 1.35 -1.74 -2.41 112.91 108.90 3chg h THR 54 Ca 0.06 -0.80 -0.01 0.00 -0.55 0.00 0.00 66.41 65.11 3chg h THR 54 Cb 0.48 1.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.69 3chg h THR 54 CO -0.49 0.00 0.05 0.00 -0.25 0.00 0.00 175.52 174.82 3chg h ALA 55 N 2.06 0.15 -0.01 6.62 0.00 -1.41 -2.24 119.26 124.43 3chg h ALA 55 Ca 0.00 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3chg h ALA 55 Cb 0.83 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3chg h ALA 55 CO 0.00 -0.26 -0.35 1.15 0.00 0.00 0.00 179.25 179.80 3chg h THR 56 N 0.03 1.25 -0.53 0.00 2.02 -0.55 -2.55 112.91 112.59 3chg h THR 56 Ca 0.04 -1.20 -0.10 0.00 0.77 0.00 0.00 66.41 65.92 3chg h THR 56 Cb 0.17 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 3chg h THR 56 CO -0.00 0.34 -0.07 0.25 0.37 0.00 0.00 175.52 176.42 3chg h LEU 57 N 0.02 0.94 -0.44 2.58 6.46 -1.31 -1.79 115.31 121.76 3chg h LEU 57 Ca -0.00 -0.28 -0.04 0.00 -0.12 0.00 0.00 57.88 57.44 3chg h LEU 57 Cb 0.62 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 3chg h LEU 57 CO 0.05 1.03 0.13 0.50 -0.62 0.00 0.00 178.44 179.52 3chg h LYS 58 N 0.86 0.68 -0.93 1.25 3.64 -1.15 0.11 116.57 121.03 3chg h LYS 58 Ca 0.15 -0.15 0.15 0.00 -1.27 0.00 0.00 60.65 59.52 3chg h LYS 58 Cb 0.60 -0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 32.23 3chg h LYS 58 CO 0.04 0.67 0.54 0.87 -2.27 0.00 0.00 179.45 179.30 3chg h LYS 59 N 0.57 0.75 0.02 1.90 1.57 -1.20 -2.74 116.57 117.44 3chg h LYS 59 Ca 0.14 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.71 3chg h LYS 59 Cb 0.28 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3chg h LYS 59 CO -0.00 0.50 -0.87 0.77 -0.57 0.00 0.00 179.45 179.27 3chg h SER 60 N 0.78 0.08 -0.63 0.86 0.02 -1.14 -3.27 113.55 110.25 3chg h SER 60 Ca 0.50 -0.74 -0.05 0.00 -0.84 0.00 0.00 61.79 60.66 3chg h SER 60 Cb 0.66 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.15 3chg h SER 60 CO -0.33 1.35 0.22 0.22 -1.14 0.00 0.00 176.83 177.15 3chg h TYR 61 N -0.86 1.01 0.00 3.45 3.20 -0.79 0.36 116.97 123.34 3chg h TYR 61 Ca -0.22 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.56 3chg h TYR 61 Cb 1.30 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.27 3chg h TYR 61 CO 0.16 0.80 -0.15 -0.44 -1.64 0.00 0.00 178.16 176.90 3chg h ASP 62 N 0.96 0.00 -0.38 -2.11 3.32 -1.68 -2.46 116.42 114.06 3chg h ASP 62 Ca 0.22 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3chg h ASP 62 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 3chg h ASP 62 CO -0.01 0.02 0.00 0.54 -1.72 0.00 0.00 179.24 178.07 3chg n ARG 63 N -2.26 3.58 -4.17 3.56 1.74 -0.70 -4.99 116.66 113.42 3chg n ARG 63 Ca 0.05 -2.92 -0.30 0.00 -0.77 0.00 0.00 57.85 53.92 3chg n ARG 63 Cb 0.44 -1.96 -0.07 0.00 -1.02 0.00 0.00 32.46 29.85 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 -0.04 -1.72 -4.05 5.56 4.76 0.96 -4.94 118.16 118.68 3chg n LYS 64 Ca 0.23 0.20 -0.32 0.00 -2.87 0.00 0.00 58.31 55.55 3chg n LYS 64 Cb 0.97 -3.87 -0.06 0.00 -1.84 0.00 0.00 35.03 30.23 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 -7.08 3.07 0.23 1.97 1.02 0.53 -5.01 119.74 114.47 3chg s LYS 65 Ca 0.03 -0.53 -0.30 0.00 0.02 0.00 0.00 55.97 55.18 3chg s LYS 65 Cb -0.01 -2.85 -0.10 0.00 -0.52 0.00 0.00 37.83 34.35 3chg s LYS 65 CO 0.96 0.62 1.44 -1.25 -0.92 0.00 0.00 175.35 176.19 3chg s PRO 66 N -2.03 4.28 -0.19 -1.68 0.04 -1.26 -4.61 135.00 129.53 3chg s PRO 66 Ca 0.26 2.27 -0.16 0.00 0.04 0.00 0.00 61.00 63.41 3chg s PRO 66 Cb -0.12 -3.13 0.05 0.00 0.04 0.00 0.00 34.50 31.34 3chg s PRO 66 CO 0.18 -0.42 0.51 -1.50 0.04 0.00 0.00 177.00 175.81 3chg s ILE 67 N 0.20 -0.00 -0.15 0.56 2.07 -1.26 -5.09 121.20 117.53 3chg s ILE 67 Ca 0.61 0.02 0.02 0.00 -1.41 0.00 0.00 60.65 59.88 3chg s ILE 67 Cb -0.41 -0.72 0.01 0.00 0.13 0.00 0.00 42.46 41.47 3chg s ILE 67 CO 0.40 0.01 -0.20 -0.63 -1.91 0.00 0.00 174.94 172.61 3chg s ILE 68 N 0.61 2.19 0.05 2.00 1.09 -1.26 -4.23 121.20 121.65 3chg s ILE 68 Ca -0.03 -0.93 0.08 0.00 -1.10 0.00 0.00 60.65 58.67 3chg s ILE 68 Cb -0.05 -1.89 -0.03 0.00 -1.06 0.00 0.00 42.46 39.43 3chg s ILE 68 CO -0.04 0.54 -0.21 0.27 -0.10 0.00 0.00 174.94 175.40 3chg s ILE 69 N 0.93 1.73 -0.77 2.92 -4.36 0.13 0.29 121.20 122.06 3chg s ILE 69 Ca -0.04 -1.26 -0.25 0.00 -0.26 0.00 0.00 60.65 58.83 3chg s ILE 69 Cb -0.15 -1.51 -0.05 0.00 1.25 0.00 0.00 42.46 42.00 3chg s ILE 69 CO -0.04 0.19 2.01 0.42 0.24 0.00 0.00 174.94 177.77 3chg s THR 70 N -0.84 3.33 0.35 8.37 -4.23 -0.17 0.96 115.64 123.41 3chg s THR 70 Ca 0.08 -0.13 0.04 0.00 -1.18 0.00 0.00 61.69 60.50 3chg s THR 70 Cb -0.09 -3.79 -0.01 0.00 1.34 0.00 0.00 72.50 69.94 3chg s THR 70 CO 0.02 -0.75 0.51 -0.83 -0.54 0.00 0.00 174.62 173.03 3chg s GLY 71 N 8.72 1.49 -0.04 3.99 0.00 0.47 -4.82 107.32 117.12 3chg s GLY 71 Ca 0.74 -1.25 -0.28 0.00 0.00 0.00 0.00 44.72 43.93 3chg s GLY 71 CO 0.09 -1.16 0.62 0.66 0.00 0.00 0.00 173.10 173.30 3chg s TRP 72 N -2.25 -0.58 -0.07 1.90 -2.14 -1.26 -1.11 118.94 113.42 3chg s TRP 72 Ca 0.43 0.97 0.03 0.00 2.66 0.00 0.00 56.10 60.19 3chg s TRP 72 Cb -0.10 0.36 -0.02 0.00 -3.10 0.00 0.00 33.47 30.62 3chg s TRP 72 CO 0.33 -0.58 -0.17 -0.08 -2.66 0.00 0.00 176.95 173.79 3chg s THR 73 N -1.26 2.74 0.16 0.66 -1.32 0.30 -3.75 115.64 113.16 3chg s THR 73 Ca -0.11 -0.82 -0.28 0.00 -1.21 0.00 0.00 61.69 59.27 3chg s THR 73 Cb -0.01 -2.08 -0.07 0.00 -1.51 0.00 0.00 72.50 68.83 3chg s THR 73 CO 0.09 0.57 0.89 -2.16 -2.21 0.00 0.00 174.62 171.79 3chg s PRO 74 N -0.24 4.70 0.03 7.08 0.04 -1.26 -3.32 135.00 142.02 3chg s PRO 74 Ca 0.00 1.35 -0.17 0.00 0.04 0.00 0.00 61.00 62.22 3chg s PRO 74 Cb -0.13 -3.32 0.03 0.00 0.04 0.00 0.00 34.50 31.12 3chg s PRO 74 CO 0.03 0.40 0.39 -1.58 0.04 0.00 0.00 177.00 176.28 3chg s HIS 75 N -0.65 -0.24 -0.15 0.56 2.46 -1.25 -4.67 115.29 111.36 3chg s HIS 75 Ca 0.41 0.23 0.26 0.00 0.47 0.00 0.00 55.06 56.43 3chg s HIS 75 Cb -0.24 0.18 0.72 0.00 -0.13 0.00 0.00 32.58 33.12 3chg s HIS 75 CO 0.29 -0.53 1.74 0.11 -2.47 0.00 0.00 174.74 173.88 3chg h TRP 76 N 3.20 0.00 0.00 3.88 5.08 -1.92 -3.27 115.95 122.92 3chg h TRP 76 Ca -0.31 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.64 3chg h TRP 76 Cb 1.20 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.35 3chg h TRP 76 CO 0.44 0.09 -0.12 0.00 -1.28 0.00 0.00 178.44 177.56 3chg h MET 77 N 0.00 0.00 -0.51 0.12 -0.00 -1.96 -1.55 114.93 111.03 3chg h MET 77 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3chg h MET 77 Cb 0.85 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.45 3chg h MET 77 CO 0.01 0.12 0.00 1.19 -0.00 0.00 0.00 176.91 178.24 3chg n PHE 78 N -4.30 0.00 0.00 -0.10 3.72 -1.23 -2.29 117.46 113.25 3chg n PHE 78 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3chg n PHE 78 Cb 0.20 -0.05 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 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 0.16 0.60 0.09 4.37 7.64 -0.59 -4.78 113.62 121.10 3chg n SER 79 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 3chg n SER 79 Cb 0.13 0.07 -0.10 0.00 -1.01 0.00 0.00 64.21 63.30 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 0.00 0.24 -5.26 1.43 9.65 -1.46 -3.47 114.38 115.53 3chg h ARG 80 Ca 0.00 -0.36 -0.37 0.00 -1.10 0.00 0.00 59.98 58.15 3chg h ARG 80 Cb 0.10 0.12 -0.16 0.00 -1.39 0.00 0.00 29.97 28.65 3chg h ARG 80 CO 0.00 1.13 -0.73 0.71 2.80 0.00 0.00 179.97 183.88 3chg s TYR 81 N -2.85 1.37 -0.36 2.20 2.02 -0.97 -5.12 117.35 113.64 3chg s TYR 81 Ca -0.03 -0.66 -0.24 0.00 -0.37 0.00 0.00 57.07 55.77 3chg s TYR 81 Cb 0.08 -0.69 0.01 0.00 -0.40 0.00 0.00 41.96 40.96 3chg s TYR 81 CO 0.86 0.15 0.84 0.15 -1.57 0.00 0.00 175.55 175.98 3chg s LYS 82 N -3.35 3.80 0.13 -0.62 1.02 -1.26 -4.42 119.74 115.04 3chg s LYS 82 Ca 0.15 0.43 0.05 0.00 0.02 0.00 0.00 55.97 56.62 3chg s LYS 82 Cb -0.01 -3.80 -0.04 0.00 -0.52 0.00 0.00 37.83 33.46 3chg s LYS 82 CO 0.02 -0.88 -0.11 -0.51 -0.92 0.00 0.00 175.35 172.95 3chg s LEU 83 N 3.24 2.47 -0.01 3.17 1.43 -1.26 -2.02 118.68 125.70 3chg s LEU 83 Ca 0.34 -0.92 -0.01 0.00 -1.03 0.00 0.00 54.13 52.51 3chg s LEU 83 Cb -0.13 -0.41 0.00 0.00 0.03 0.00 0.00 46.19 45.68 3chg s LEU 83 CO 0.17 -0.26 0.02 -1.59 0.23 0.00 0.00 176.35 174.93 3chg s LYS 84 N -3.25 0.07 0.40 1.70 -2.85 -0.84 -4.89 119.74 110.08 3chg s LYS 84 Ca 0.12 -0.04 -0.23 0.00 -1.00 0.00 0.00 55.97 54.83 3chg s LYS 84 Cb -0.01 0.03 -0.10 0.00 -2.06 0.00 0.00 37.83 35.69 3chg s LYS 84 CO 0.01 -0.01 0.96 0.71 0.10 0.00 0.00 175.35 177.12 3chg s TYR 85 N -0.17 3.42 -0.12 1.78 2.02 -1.26 -2.64 117.35 120.38 3chg s TYR 85 Ca -0.02 1.67 -0.22 0.00 -0.37 0.00 0.00 57.07 58.13 3chg s TYR 85 Cb -0.01 -2.89 -0.03 0.00 -0.40 0.00 0.00 41.96 38.62 3chg s TYR 85 CO -0.00 -0.05 0.64 -0.51 -1.57 0.00 0.00 175.55 174.06 3chg s LEU 86 N -2.79 4.25 0.83 -1.29 1.43 -1.09 -4.90 118.68 115.12 3chg s LEU 86 Ca 0.58 1.00 -0.15 0.00 -1.03 0.00 0.00 54.13 54.53 3chg s LEU 86 Cb -0.13 -2.96 -0.04 0.00 0.03 0.00 0.00 46.19 43.09 3chg s LEU 86 CO 0.17 -0.16 0.20 0.47 0.23 0.00 0.00 176.35 177.27 3chg n ASP 87 N 4.23 -2.54 -3.60 2.29 8.00 -1.18 -4.68 116.55 119.08 3chg n ASP 87 Ca -0.02 0.44 -0.29 0.00 0.71 0.00 0.00 54.79 55.62 3chg n ASP 87 Cb 0.51 -1.10 -0.14 0.00 -0.02 0.00 0.00 41.12 40.36 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 -1.53 3.57 -0.10 -2.24 -1.08 -1.26 -3.83 116.67 110.20 3chg s ASP 88 Ca 0.57 -1.77 -0.28 0.00 -0.52 0.00 0.00 52.55 50.56 3chg s ASP 88 Cb -0.29 -0.60 -0.24 0.00 -1.46 0.00 0.00 42.92 40.33 3chg s ASP 88 CO 0.66 -0.38 0.94 1.55 0.52 0.00 0.00 175.17 178.46 3chg h PRO 89 N 7.78 0.01 -2.57 4.34 0.13 -2.03 -3.36 132.00 136.30 3chg h PRO 89 Ca -0.10 -0.02 -0.58 0.00 -0.87 0.00 0.00 66.00 64.43 3chg h PRO 89 Cb 0.99 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.06 3chg h PRO 89 CO 0.41 0.84 2.19 1.63 -0.23 0.00 0.00 178.00 182.84 3chg n LYS 90 N -4.67 3.51 -1.06 0.86 5.02 -1.26 -4.91 118.16 115.65 3chg n LYS 90 Ca -0.10 -2.40 -0.18 0.00 -2.02 0.00 0.00 58.31 53.61 3chg n LYS 90 Cb 0.41 -2.52 -0.15 0.00 -0.02 0.00 0.00 35.03 32.76 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 2.44 0.00 0.02 1.97 6.02 -1.26 -4.70 117.38 121.87 3chg n GLN 91 Ca 0.63 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 57.47 3chg n GLN 91 Cb 0.40 -0.78 -0.14 0.00 1.02 0.00 0.00 30.24 30.74 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 7.89 0.27 1.60 1.08 0.02 -1.91 -3.32 113.55 119.19 3chg h SER 92 Ca 0.01 -0.52 -0.04 0.00 -0.84 0.00 0.00 61.79 60.41 3chg h SER 92 Cb 0.82 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 3chg h SER 92 CO 1.11 1.45 -0.20 1.88 -1.14 0.00 0.00 176.83 179.94 3chg h TYR 93 N 0.05 0.00 0.00 3.45 0.05 -1.84 -3.46 116.97 115.22 3chg h TYR 93 Ca -0.32 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.46 3chg h TYR 93 Cb 2.02 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.76 3chg h TYR 93 CO 0.05 0.20 0.00 0.41 -1.05 0.00 0.00 178.16 177.77 3chg n GLY 94 N 0.92 -1.61 0.00 3.88 0.00 -1.25 -4.75 105.19 102.37 3chg n GLY 94 Ca 0.02 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.49 3chg n GLY 94 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3chg n SER 95 N -1.99 0.00 -2.53 1.61 2.88 -1.26 -4.89 113.62 107.44 3chg n SER 95 Ca 0.00 -1.00 -0.32 0.00 -1.33 0.00 0.00 58.87 56.22 3chg n SER 95 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 3chg n SER 95 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3chg n ALA 96 N 0.00 5.70 -2.21 -1.46 0.00 -1.26 -4.92 120.51 116.36 3chg n ALA 96 Ca 0.00 -4.06 -0.31 0.00 0.00 0.00 0.00 53.44 49.06 3chg n ALA 96 Cb 0.40 -1.13 -0.05 0.00 0.00 0.00 0.00 19.45 18.66 3chg n ALA 96 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3chg s GLU 97 N -3.76 3.88 -0.13 0.00 0.41 -1.26 -4.52 118.70 113.31 3chg s GLU 97 Ca 0.52 0.51 -0.16 0.00 -0.41 0.00 0.00 54.97 55.43 3chg s GLU 97 Cb 0.43 -2.46 0.04 0.00 -1.78 0.00 0.00 34.13 30.36 3chg s GLU 97 CO -0.20 0.12 0.44 -1.21 -0.49 0.00 0.00 175.26 173.91 3chg s GLU 98 N -3.28 0.58 0.29 1.61 2.02 0.79 -2.46 118.70 118.25 3chg s GLU 98 Ca 0.52 0.45 -0.15 0.00 0.02 0.00 0.00 54.97 55.81 3chg s GLU 98 Cb -0.10 0.28 -0.08 0.00 0.10 0.00 0.00 34.13 34.32 3chg s GLU 98 CO 0.23 -0.10 0.69 0.42 0.02 0.00 0.00 175.26 176.52 3chg s ILE 99 N -0.15 4.72 0.06 -1.63 1.01 -1.14 -0.23 121.20 123.84 3chg s ILE 99 Ca -0.03 0.90 -0.06 0.00 0.00 0.00 0.00 60.65 61.46 3chg s ILE 99 Cb -0.03 -3.65 -0.01 0.00 0.01 0.00 0.00 42.46 38.78 3chg s ILE 99 CO 0.02 -0.10 0.11 -1.00 0.00 0.00 0.00 174.94 173.97 3chg s HIS 100 N -1.87 0.24 -0.22 3.97 3.76 0.44 -2.06 115.29 119.54 3chg s HIS 100 Ca 0.51 -0.62 -0.04 0.00 -0.15 0.00 0.00 55.06 54.75 3chg s HIS 100 Cb -0.11 -0.15 -0.01 0.00 1.11 0.00 0.00 32.58 33.41 3chg s HIS 100 CO 0.19 -0.43 -0.02 0.99 -0.85 0.00 0.00 174.74 174.61 3chg s THR 101 N -3.28 3.58 0.00 1.30 2.01 -0.98 -2.86 115.64 115.41 3chg s THR 101 Ca 0.01 -0.43 0.06 0.00 0.31 0.00 0.00 61.69 61.64 3chg s THR 101 Cb 0.03 -2.63 -0.02 0.00 0.01 0.00 0.00 72.50 69.89 3chg s THR 101 CO -0.08 0.41 -0.17 0.27 -0.69 0.00 0.00 174.62 174.36 3chg s ILE 102 N 1.42 1.36 0.30 1.82 -5.25 -0.78 -2.80 121.20 117.27 3chg s ILE 102 Ca 0.05 -0.84 0.08 0.00 -0.99 0.00 0.00 60.65 58.95 3chg s ILE 102 Cb -0.14 -1.16 -0.06 0.00 2.95 0.00 0.00 42.46 44.05 3chg s ILE 102 CO -0.01 0.30 -0.08 0.42 -1.79 0.00 0.00 174.94 173.78 3chg s THR 103 N -0.52 1.93 0.84 8.37 -4.23 0.10 0.47 115.64 122.60 3chg s THR 103 Ca 0.06 -2.18 -0.11 0.00 -1.18 0.00 0.00 61.69 58.29 3chg s THR 103 Cb -0.07 -2.51 0.09 0.00 1.34 0.00 0.00 72.50 71.35 3chg s THR 103 CO -0.00 -0.27 1.09 0.00 -0.54 0.00 0.00 174.62 174.90 3chg s ARG 104 N -3.67 1.74 0.32 3.99 1.70 -0.01 -0.89 118.95 122.13 3chg s ARG 104 Ca 0.31 1.03 -0.29 0.00 -0.47 0.00 0.00 55.73 56.30 3chg s ARG 104 Cb 0.03 -1.85 -0.10 0.00 -0.57 0.00 0.00 34.95 32.45 3chg s ARG 104 CO 0.14 -1.97 1.40 0.15 -1.08 0.00 0.00 175.30 173.94 3chg s LYS 105 N -4.90 4.27 -0.33 3.89 -0.14 -1.26 -2.89 119.74 118.36 3chg s LYS 105 Ca 0.62 2.34 0.00 0.00 -1.36 0.00 0.00 55.97 57.57 3chg s LYS 105 Cb -0.18 -3.06 0.00 0.00 -1.68 0.00 0.00 37.83 32.91 3chg s LYS 105 CO 0.57 -0.35 0.00 0.41 -0.76 0.00 0.00 175.35 175.21 3chg n GLY 106 N 1.20 0.63 0.17 -3.33 0.00 -1.26 -4.93 105.19 97.66 3chg n GLY 106 Ca 0.03 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 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 0.94 0.00 1.61 3.57 -1.91 -3.24 116.94 117.91 3chg h PHE 107 Ca -0.06 -0.59 0.00 0.00 3.53 0.00 0.00 57.97 60.84 3chg h PHE 107 Cb 0.22 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.89 3chg h PHE 107 CO 0.10 1.44 0.00 0.43 -2.23 0.00 0.00 178.31 178.05 3chg n SER 108 N -3.86 0.00 0.00 0.41 7.64 -1.26 -2.24 113.62 114.30 3chg n SER 108 Ca -0.13 0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.87 3chg n SER 108 Cb 0.94 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.90 3chg n SER 108 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3chg n LYS 109 N -1.24 0.82 0.02 1.43 4.81 -1.26 -3.51 118.16 119.24 3chg n LYS 109 Ca 0.03 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.40 3chg n LYS 109 Cb 0.05 -0.76 -0.05 0.00 0.02 0.00 0.00 35.03 34.29 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 0.00 -0.31 -3.23 1.64 5.08 -1.55 -3.37 114.58 112.83 3chg h GLU 110 Ca 0.00 0.02 -0.64 0.00 -1.00 0.00 0.00 59.36 57.74 3chg h GLU 110 Cb 0.52 0.07 -0.41 0.00 0.50 0.00 0.00 28.75 29.43 3chg h GLU 110 CO 0.00 -0.21 -0.54 -0.65 -1.00 0.00 0.00 179.01 176.61 3chg s GLN 111 N -4.32 2.37 0.56 2.33 -0.21 -0.95 -4.92 119.66 114.51 3chg s GLN 111 Ca -0.08 -3.05 0.34 0.00 0.02 0.00 0.00 55.36 52.59 3chg s GLN 111 Cb 0.03 -3.45 1.58 0.00 1.00 0.00 0.00 33.01 32.17 3chg s GLN 111 CO 0.30 -1.22 2.07 -1.00 -2.12 0.00 0.00 175.29 173.32 3chg h PRO 112 N 5.92 0.00 0.55 2.91 0.13 -1.74 -2.89 132.00 136.88 3chg h PRO 112 Ca 0.06 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.16 3chg h PRO 112 Cb 0.82 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.95 3chg h PRO 112 CO 0.72 0.05 -0.27 -0.97 -0.23 0.00 0.00 178.00 177.31 3chg h ASN 113 N 0.00 -0.63 -0.41 1.44 -0.73 -1.91 -3.00 115.58 110.34 3chg h ASN 113 Ca -0.00 -0.05 -0.03 0.00 1.87 0.00 0.00 56.30 58.09 3chg h ASN 113 Cb 0.38 0.16 -0.02 0.00 0.27 0.00 0.00 38.32 39.12 3chg h ASN 113 CO 0.01 -0.28 0.14 0.00 -0.37 0.00 0.00 177.43 176.92 3chg h ALA 114 N -0.76 0.53 0.00 1.57 0.00 -1.93 -2.24 119.26 116.43 3chg h ALA 114 Ca -0.08 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3chg h ALA 114 Cb 0.64 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3chg h ALA 114 CO 0.12 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.54 3chg h ALA 115 N 0.99 1.00 0.00 0.00 0.00 -1.64 0.29 119.26 119.90 3chg h ALA 115 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3chg h ALA 115 Cb 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3chg h ALA 115 CO -0.01 0.00 -1.25 1.17 0.00 0.00 0.00 179.25 179.17 3chg n LYS 116 N -2.47 0.62 0.09 0.00 4.81 -0.88 -3.01 118.16 117.30 3chg n LYS 116 Ca -0.00 0.14 -0.12 0.00 -0.87 0.00 0.00 58.31 57.45 3chg n LYS 116 Cb 0.13 -1.79 -0.08 0.00 0.02 0.00 0.00 35.03 33.31 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 -0.22 -1.31 3.14 6.46 -0.61 -3.31 115.31 119.46 3chg h LEU 117 Ca -0.07 -0.30 0.15 0.00 -0.12 0.00 0.00 57.88 57.54 3chg h LEU 117 Cb 1.24 0.06 -0.07 0.00 -0.73 0.00 0.00 40.66 41.15 3chg h LEU 117 CO 0.02 0.24 0.58 -0.07 -0.62 0.00 0.00 178.44 178.58 3chg h LEU 118 N -0.75 0.62 0.00 2.25 4.07 -1.14 -2.67 115.31 117.69 3chg h LEU 118 Ca -0.03 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 3chg h LEU 118 Cb 0.51 -0.08 -0.00 0.00 1.08 0.00 0.00 40.66 42.17 3chg h LEU 118 CO 0.04 0.30 -0.38 0.77 -1.08 0.00 0.00 178.44 178.10 3chg h SER 119 N 0.65 0.00 -0.56 -0.43 4.64 -1.63 -2.83 113.55 113.39 3chg h SER 119 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 3chg h SER 119 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3chg h SER 119 CO -0.21 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 175.81 3chg n GLN 120 N -2.98 2.60 -2.29 4.77 6.02 -1.01 -4.70 117.38 119.79 3chg n GLN 120 Ca 0.02 -2.45 -0.41 0.00 -0.01 0.00 0.00 57.00 54.16 3chg n GLN 120 Cb 0.56 -1.54 -0.03 0.00 1.02 0.00 0.00 30.24 30.25 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 -1.26 2.08 0.03 1.08 5.36 -1.07 -4.43 117.98 119.78 3chg s PHE 121 Ca 0.44 0.50 0.05 0.00 -0.96 0.00 0.00 56.93 56.96 3chg s PHE 121 Cb 0.24 -4.32 -0.02 0.00 -0.34 0.00 0.00 43.02 38.58 3chg s PHE 121 CO 0.32 -2.16 -0.14 0.15 -1.46 0.00 0.00 175.22 171.93 3chg s LYS 122 N 5.95 0.98 -0.01 10.12 1.02 -1.26 -3.96 119.74 132.57 3chg s LYS 122 Ca 0.56 -0.72 -0.30 0.00 0.02 0.00 0.00 55.97 55.54 3chg s LYS 122 Cb -0.12 -0.98 0.10 0.00 -0.52 0.00 0.00 37.83 36.31 3chg s LYS 122 CO 0.23 0.25 1.06 1.67 -0.92 0.00 0.00 175.35 177.64 3chg s TRP 123 N -0.76 -0.18 0.53 3.18 1.48 -0.90 -5.04 118.94 117.26 3chg s TRP 123 Ca 0.02 0.03 0.05 0.00 -1.06 0.00 0.00 56.10 55.14 3chg s TRP 123 Cb -0.07 0.56 0.03 0.00 -1.16 0.00 0.00 33.47 32.82 3chg s TRP 123 CO 0.01 -0.48 0.34 0.95 -4.06 0.00 0.00 176.95 173.71 3chg s THR 124 N -2.85 1.63 0.09 0.66 -4.23 -1.26 -4.36 115.64 105.32 3chg s THR 124 Ca 0.10 -1.56 -0.13 0.00 -1.18 0.00 0.00 61.69 58.91 3chg s THR 124 Cb 0.00 -2.20 -0.19 0.00 1.34 0.00 0.00 72.50 71.45 3chg s THR 124 CO -0.04 0.00 1.25 -0.61 -0.54 0.00 0.00 174.62 174.68 3chg h GLN 125 N 0.86 0.76 0.00 3.99 4.15 -1.98 -2.84 115.11 120.05 3chg h GLN 125 Ca -0.38 -0.70 -0.16 0.00 0.77 0.00 0.00 58.65 58.18 3chg h GLN 125 Cb 1.30 0.17 -0.02 0.00 0.21 0.00 0.00 27.48 29.14 3chg h GLN 125 CO 0.60 1.29 -0.78 0.38 -1.93 0.00 0.00 178.83 178.39 3chg h ASP 126 N 0.47 0.00 0.39 -0.69 2.03 -1.98 -2.81 116.42 113.84 3chg h ASP 126 Ca -0.09 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.12 3chg h ASP 126 Cb 1.53 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 40.01 3chg h ASP 126 CO 0.18 0.78 -0.41 -0.33 -1.03 0.00 0.00 179.24 178.42 3chg h GLU 127 N 0.00 0.03 0.09 4.15 5.08 -1.94 -1.50 114.58 120.49 3chg h GLU 127 Ca -0.01 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3chg h GLU 127 Cb 1.51 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.76 3chg h GLU 127 CO 0.10 0.44 -0.04 1.98 -1.00 0.00 0.00 179.01 180.49 3chg h MET 128 N 0.02 -0.12 -1.02 2.33 4.05 -1.57 -3.34 114.93 115.29 3chg h MET 128 Ca -0.00 0.01 0.26 0.00 -0.28 0.00 0.00 59.70 59.69 3chg h MET 128 Cb 0.74 0.03 -0.08 0.00 -0.80 0.00 0.00 31.60 31.49 3chg h MET 128 CO 0.05 0.42 0.67 0.78 0.23 0.00 0.00 176.91 179.06 3chg h GLY 129 N -0.81 0.97 -0.73 1.39 0.00 -1.21 1.11 103.07 103.80 3chg h GLY 129 Ca -0.01 -0.17 0.28 0.00 0.00 0.00 0.00 47.33 47.43 3chg h GLY 129 CO 0.02 -0.09 0.23 -2.09 0.00 0.00 0.00 176.54 174.61 3chg h GLU 130 N 0.35 0.10 0.06 4.80 4.81 -1.40 -0.10 114.58 123.20 3chg h GLU 130 Ca 0.56 -0.01 -0.28 0.00 -0.13 0.00 0.00 59.36 59.50 3chg h GLU 130 Cb 1.51 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.85 3chg h GLU 130 CO -0.23 0.07 -1.43 0.82 -0.73 0.00 0.00 179.01 177.51 3chg h ILE 131 N 0.11 1.24 0.00 2.32 2.04 0.11 -3.29 117.51 120.04 3chg h ILE 131 Ca 0.63 -2.94 -0.15 0.00 1.00 0.00 0.00 64.86 63.39 3chg h ILE 131 Cb 1.37 2.71 -0.02 0.00 -0.74 0.00 0.00 36.82 40.14 3chg h ILE 131 CO -0.77 0.79 -0.74 -0.03 0.00 0.00 0.00 178.15 177.41 3chg h MET 132 N 0.04 0.00 -0.30 2.37 4.05 -0.95 -1.08 114.93 119.06 3chg h MET 132 Ca -0.19 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.11 3chg h MET 132 Cb 1.95 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.74 3chg h MET 132 CO 0.14 0.74 -0.30 0.82 0.23 0.00 0.00 176.91 178.53 3chg h ILE 133 N 0.00 1.28 -0.32 1.77 2.04 -1.18 0.20 117.51 121.30 3chg h ILE 133 Ca -0.01 -1.40 -0.18 0.00 1.00 0.00 0.00 64.86 64.27 3chg h ILE 133 Cb 1.43 1.37 -0.00 0.00 -0.74 0.00 0.00 36.82 38.88 3chg h ILE 133 CO 0.10 0.45 -0.49 0.11 0.00 0.00 0.00 178.15 178.32 3chg h LYS 134 N 0.53 0.89 -0.40 2.37 1.79 -1.61 0.46 116.57 120.61 3chg h LYS 134 Ca 0.07 -0.54 -0.06 0.00 -2.18 0.00 0.00 60.65 57.94 3chg h LYS 134 Cb 0.78 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.46 3chg h LYS 134 CO 0.06 1.18 0.02 0.28 -1.08 0.00 0.00 179.45 179.91 3chg h VAL 135 N 0.69 1.21 0.00 0.50 2.07 -1.01 -2.19 116.25 117.52 3chg h VAL 135 Ca 0.03 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.70 3chg h VAL 135 Cb 1.10 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 3chg h VAL 135 CO 0.11 0.30 0.00 -0.08 0.02 0.00 0.00 177.57 177.92 3chg h GLU 136 N 0.60 0.00 -0.80 1.57 4.57 -0.47 -3.10 114.58 116.95 3chg h GLU 136 Ca 0.13 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.44 3chg h GLU 136 Cb 0.36 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.86 3chg h GLU 136 CO 0.01 0.00 0.39 0.93 -1.18 0.00 0.00 179.01 179.16 3chg h GLU 137 N 0.00 0.56 0.00 1.92 4.39 0.56 -3.46 114.58 118.54 3chg h GLU 137 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3chg h GLU 137 Cb 0.92 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 3chg h GLU 137 CO 0.00 0.37 0.00 0.41 -1.16 0.00 0.00 179.01 178.63 3chg n GLY 138 N -1.32 1.00 3.86 -3.84 0.00 -1.04 -5.09 105.19 98.76 3chg n GLY 138 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 3chg n GLY 138 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3chg s GLU 139 N 0.00 2.35 -0.01 1.61 2.12 -1.07 -5.04 118.70 118.67 3chg s GLU 139 Ca 0.00 0.43 -0.00 0.00 0.36 0.00 0.00 54.97 55.76 3chg s GLU 139 Cb 0.00 -1.97 -0.04 0.00 0.26 0.00 0.00 34.13 32.39 3chg s GLU 139 CO 0.00 -1.38 0.05 0.15 -0.54 0.00 0.00 175.26 173.54 3chg s LYS 140 N -5.34 2.99 0.46 4.30 1.02 -1.26 -4.60 119.74 117.30 3chg s LYS 140 Ca 0.60 -0.51 0.23 0.00 0.02 0.00 0.00 55.97 56.31 3chg s LYS 140 Cb -0.12 -2.81 1.11 0.00 -0.52 0.00 0.00 37.83 35.49 3chg s LYS 140 CO 0.52 0.65 1.94 -1.35 -0.92 0.00 0.00 175.35 176.19 3chg h PRO 141 N 4.26 0.00 0.03 -1.68 0.11 -1.97 -2.36 132.00 130.39 3chg h PRO 141 Ca -0.49 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 3chg h PRO 141 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3chg h PRO 141 CO 0.60 0.22 -0.25 0.00 -0.21 0.00 0.00 178.00 178.36 3chg h ALA 142 N 1.78 0.00 -0.83 -0.75 0.00 -1.94 -2.71 119.26 114.80 3chg h ALA 142 Ca -0.00 -0.59 0.12 0.00 0.00 0.00 0.00 54.91 54.44 3chg h ALA 142 Cb 0.53 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 3chg h ALA 142 CO 0.03 0.12 0.45 0.87 0.00 0.00 0.00 179.25 180.72 3chg h LYS 143 N -0.87 0.66 -0.36 0.00 1.57 -1.87 0.11 116.57 115.81 3chg h LYS 143 Ca -0.05 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.53 3chg h LYS 143 Cb 1.15 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 3chg h LYS 143 CO 0.02 0.44 -0.40 -0.24 -0.57 0.00 0.00 179.45 178.70 3chg h VAL 144 N 0.68 1.27 -0.59 0.50 3.04 -1.57 -2.82 116.25 116.77 3chg h VAL 144 Ca 0.43 -1.57 0.01 0.00 -1.01 0.00 0.00 66.70 64.56 3chg h VAL 144 Cb 0.53 1.41 -0.03 0.00 -2.01 0.00 0.00 31.29 31.19 3chg h VAL 144 CO -0.32 0.52 0.39 0.00 -1.01 0.00 0.00 177.57 177.15 3chg h ALA 145 N 0.81 0.74 -0.00 3.17 0.00 -1.00 -1.88 119.26 121.11 3chg h ALA 145 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3chg h ALA 145 Cb 0.98 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3chg h ALA 145 CO 0.09 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.52 3chg h ALA 146 N 1.22 1.68 0.04 0.00 0.00 -0.71 -0.97 119.26 120.53 3chg h ALA 146 Ca 0.22 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.92 3chg h ALA 146 Cb -0.08 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.73 3chg h ALA 146 CO -0.05 -0.01 -0.84 1.49 0.00 0.00 0.00 179.25 179.85 3chg h GLU 147 N 0.00 0.49 -0.05 0.00 4.81 -1.12 -3.31 114.58 115.40 3chg h GLU 147 Ca 0.00 -0.59 -0.09 0.00 -0.13 0.00 0.00 59.36 58.56 3chg h GLU 147 Cb 0.01 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3chg h GLU 147 CO -0.00 1.22 -0.36 -0.92 -0.73 0.00 0.00 179.01 178.21 3chg h TYR 148 N 0.02 0.12 0.00 0.92 3.20 -0.60 -1.84 116.97 118.80 3chg h TYR 148 Ca -0.12 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.73 3chg h TYR 148 Cb 1.54 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.79 3chg h TYR 148 CO 0.14 0.46 0.00 -0.24 -1.64 0.00 0.00 178.16 176.88 3chg h VAL 149 N 0.09 0.00 0.00 1.81 3.04 -1.32 -3.05 116.25 116.82 3chg h VAL 149 Ca 0.01 -0.33 -0.04 0.00 -1.01 0.00 0.00 66.70 65.33 3chg h VAL 149 Cb 0.69 1.24 -0.01 0.00 -2.01 0.00 0.00 31.29 31.20 3chg h VAL 149 CO 0.05 0.00 -1.61 0.59 -1.01 0.00 0.00 177.57 175.60 3chg n ASN 150 N -2.84 0.39 0.00 3.17 3.02 -0.73 -4.41 115.26 113.86 3chg n ASN 150 Ca 0.00 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 3chg n ASN 150 Cb 0.23 1.21 0.00 0.00 -0.61 0.00 0.00 39.78 40.61 3chg n ASN 150 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3chg n LYS 151 N -2.50 0.00 -1.53 3.52 3.00 -0.98 -4.56 118.16 115.11 3chg n LYS 151 Ca -0.05 0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 57.88 3chg n LYS 151 Cb 0.62 -0.01 -0.07 0.00 0.00 0.00 0.00 35.03 35.57 3chg n LYS 151 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 3chg n HIS 152 N -0.03 1.16 -0.40 5.64 8.25 -1.22 -4.72 115.22 123.90 3chg n HIS 152 Ca 0.00 0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 3chg n HIS 152 Cb 0.00 -2.56 0.00 0.00 1.12 0.00 0.00 29.99 28.55 3chg n HIS 152 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3chg n LYS 153 N 8.82 0.74 0.00 -0.41 5.02 -1.26 -4.43 118.16 126.65 3chg n LYS 153 Ca 0.46 -0.75 0.00 0.00 -2.02 0.00 0.00 58.31 56.01 3chg n LYS 153 Cb 0.37 -0.80 0.00 0.00 -0.02 0.00 0.00 35.03 34.59 3chg n LYS 153 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3chg n ASP 154 N -0.17 1.38 0.06 4.39 5.68 -1.26 -3.89 116.55 122.75 3chg n ASP 154 Ca 0.00 -1.53 -0.22 0.00 -0.50 0.00 0.00 54.79 52.54 3chg n ASP 154 Cb 0.24 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 40.07 3chg n ASP 154 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 3chg h GLN 155 N 0.00 0.36 -0.43 0.11 4.15 -1.96 -3.36 115.11 113.97 3chg h GLN 155 Ca 0.00 -0.61 0.02 0.00 0.77 0.00 0.00 58.65 58.83 3chg h GLN 155 Cb 0.39 0.23 -0.03 0.00 0.21 0.00 0.00 27.48 28.27 3chg h GLN 155 CO 0.00 1.29 0.25 0.82 -1.93 0.00 0.00 178.83 179.26 3chg h ILE 156 N -0.11 1.03 -0.05 2.39 5.03 -1.77 0.22 117.51 124.25 3chg h ILE 156 Ca -0.28 -0.17 0.01 0.00 -0.12 0.00 0.00 64.86 64.30 3chg h ILE 156 Cb 1.92 0.49 -0.00 0.00 -3.03 0.00 0.00 36.82 36.20 3chg h ILE 156 CO 0.15 0.09 0.08 0.00 -0.68 0.00 0.00 178.15 177.79 3chg h ALA 157 N 1.20 1.48 0.05 1.87 0.00 -1.75 -0.96 119.26 121.15 3chg h ALA 157 Ca 0.17 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.78 3chg h ALA 157 Cb 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3chg h ALA 157 CO -0.09 -0.10 -1.62 -1.91 0.00 0.00 0.00 179.25 175.53 3chg n GLU 158 N -3.61 0.65 -0.13 0.00 2.13 -0.79 -1.68 120.64 117.21 3chg n GLU 158 Ca -0.02 0.43 0.25 0.00 0.66 0.00 0.00 57.16 58.49 3chg n GLU 158 Cb 0.16 -1.72 0.45 0.00 0.27 0.00 0.00 31.44 30.60 3chg n GLU 158 CO 0.00 0.00 0.00 -1.49 -0.41 0.00 0.00 177.13 175.23 3chg h TRP 159 N -0.55 0.00 0.00 4.31 4.06 0.17 -1.95 115.95 122.00 3chg h TRP 159 Ca -0.39 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.47 3chg h TRP 159 Cb 1.62 0.00 -0.18 0.00 -1.00 0.00 0.00 29.16 29.61 3chg h TRP 159 CO 0.08 0.00 -0.70 0.25 -3.56 0.00 0.00 178.44 174.51 3chg n THR 160 N -3.25 0.43 -1.93 1.49 -2.24 -0.44 -4.55 114.28 103.80 3chg n THR 160 Ca 0.19 -1.05 -0.43 0.00 -2.27 0.00 0.00 64.05 60.50 3chg n THR 160 Cb 1.37 0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 70.15 3chg n THR 160 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 3chg s LYS 161 N -0.64 3.50 0.00 -0.78 -2.85 -0.67 -2.17 119.74 116.13 3chg s LYS 161 Ca 0.23 1.72 0.00 0.00 -1.00 0.00 0.00 55.97 56.91 3chg s LYS 161 Cb 0.25 -4.18 0.00 0.00 -2.06 0.00 0.00 37.83 31.84 3chg s LYS 161 CO -0.08 -1.66 0.00 0.41 0.10 0.00 0.00 175.35 174.11 3chg n GLY 162 N 5.19 0.68 3.21 0.59 0.00 -1.26 -5.02 105.19 108.58 3chg n GLY 162 Ca 0.23 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.00 3.79 0.08 1.61 1.01 -0.92 -5.03 120.40 118.95 3chg s VAL 163 Ca 0.00 -1.62 -0.30 0.00 0.00 0.00 0.00 61.98 60.06 3chg s VAL 163 Cb 0.00 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 3chg s VAL 163 CO 0.00 -0.53 1.00 -1.10 0.00 0.00 0.00 175.10 174.47 3chg s GLN 164 N 1.31 4.62 0.18 2.72 -0.21 -1.26 -5.00 119.66 122.03 3chg s GLN 164 Ca 0.04 1.51 -0.32 0.00 0.02 0.00 0.00 55.36 56.60 3chg s GLN 164 Cb -0.23 -3.38 -0.16 0.00 1.00 0.00 0.00 33.01 30.24 3chg s GLN 164 CO -0.00 0.08 1.14 1.17 -2.12 0.00 0.00 175.29 175.55 3chg n LYS 165 N 3.13 1.15 -3.56 2.91 4.81 -1.26 -4.98 118.16 120.36 3chg n LYS 165 Ca 0.04 0.41 -0.20 0.00 -0.87 0.00 0.00 58.31 57.68 3chg n LYS 165 Cb 0.49 -1.88 -0.03 0.00 0.02 0.00 0.00 35.03 33.63 3chg n LYS 165 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3chg s VAL 166 N -0.28 2.93 -0.82 3.15 0.11 0.41 -4.99 120.40 120.90 3chg s VAL 166 Ca 0.72 -1.31 -0.00 0.00 -2.93 0.00 0.00 61.98 58.46 3chg s VAL 166 Cb -0.84 -3.05 0.35 0.00 -1.53 0.00 0.00 36.38 31.31 3chg s VAL 166 CO 0.53 -0.04 1.74 0.29 -3.33 0.00 0.00 175.10 174.29 3chg n LYS 167 N -1.54 3.70 -3.59 1.54 5.02 -1.26 -4.04 118.16 118.00 3chg n LYS 167 Ca 0.03 -4.12 -0.22 0.00 -2.02 0.00 0.00 58.31 51.97 3chg n LYS 167 Cb 0.61 -2.32 0.07 0.00 -0.02 0.00 0.00 35.03 33.37 3chg n LYS 167 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3chg n GLY 168 N -0.36 -0.47 3.76 0.72 0.00 -1.00 -4.99 105.19 102.86 3chg n GLY 168 Ca 0.48 0.20 -0.40 0.00 0.00 0.00 0.00 46.02 46.29 3chg n GLY 168 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3chg n ASP 169 N -3.04 3.47 -4.85 1.61 8.00 -1.26 -4.67 116.55 115.81 3chg n ASP 169 Ca -0.10 1.16 -0.35 0.00 0.71 0.00 0.00 54.79 56.21 3chg n ASP 169 Cb 0.60 -1.60 -0.06 0.00 -0.02 0.00 0.00 41.12 40.04 3chg n ASP 169 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3chg s LYS 170 N -2.29 3.85 -0.04 -1.24 1.02 -1.26 -2.09 119.74 117.69 3chg s LYS 170 Ca 0.58 0.31 0.02 0.00 0.02 0.00 0.00 55.97 56.90 3chg s LYS 170 Cb -0.46 -3.03 0.01 0.00 -0.52 0.00 0.00 37.83 33.83 3chg s LYS 170 CO 0.60 0.56 -0.08 -1.50 -0.92 0.00 0.00 175.35 174.01 3chg s ILE 171 N -1.35 0.78 -0.24 2.17 2.07 -0.40 -4.92 121.20 119.30 3chg s ILE 171 Ca 0.32 -0.31 -0.10 0.00 -1.41 0.00 0.00 60.65 59.16 3chg s ILE 171 Cb -0.15 -0.74 -0.05 0.00 0.13 0.00 0.00 42.46 41.66 3chg s ILE 171 CO 0.17 0.27 0.16 0.21 -1.91 0.00 0.00 174.94 173.84 3chg s ASN 172 N 0.57 6.04 -0.77 4.50 3.04 -1.26 -3.42 114.94 123.64 3chg s ASN 172 Ca -0.09 0.08 0.03 0.00 0.04 0.00 0.00 52.86 52.92 3chg s ASN 172 Cb -0.13 -2.09 0.19 0.00 -1.54 0.00 0.00 41.25 37.68 3chg s ASN 172 CO 0.01 0.05 0.61 0.18 -3.04 0.00 0.00 177.10 174.91 3chg n LEU 173 N 4.40 3.46 -4.73 3.21 4.77 -0.86 -2.41 117.00 124.84 3chg n LEU 173 Ca -0.15 -5.21 -0.41 0.00 -0.03 0.00 0.00 56.01 50.21 3chg n LEU 173 Cb 0.52 -0.86 -0.03 0.00 -2.33 0.00 0.00 43.42 40.72 3chg n LEU 173 CO 0.35 1.72 0.90 0.00 -1.33 0.00 0.00 177.39 179.03 3chg s ALA 174 N -1.53 3.45 0.18 -1.18 0.00 -1.22 -1.39 121.76 120.06 3chg s ALA 174 Ca 0.27 0.96 -0.02 0.00 0.00 0.00 0.00 51.96 53.16 3chg s ALA 174 Cb -0.04 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 3chg s ALA 174 CO -0.15 -0.41 0.15 1.52 0.00 0.00 0.00 175.76 176.87 3chg s TYR 175 N 0.27 0.96 -0.11 0.00 -0.85 -0.90 -4.34 117.35 112.39 3chg s TYR 175 Ca 0.55 -1.25 -0.02 0.00 -0.52 0.00 0.00 57.07 55.83 3chg s TYR 175 Cb -0.33 -0.44 -0.03 0.00 0.38 0.00 0.00 41.96 41.54 3chg s TYR 175 CO 0.35 -0.64 -0.01 0.08 -1.52 0.00 0.00 175.55 173.81 3chg s VAL 176 N -4.10 4.18 -0.28 -3.49 1.01 -1.26 -1.95 120.40 114.52 3chg s VAL 176 Ca 0.32 -0.28 -0.06 0.00 0.00 0.00 0.00 61.98 61.96 3chg s VAL 176 Cb 0.06 -2.78 -0.15 0.00 0.00 0.00 0.00 36.38 33.51 3chg s VAL 176 CO 0.08 0.57 3.31 0.00 0.00 0.00 0.00 175.10 179.05 3chg n ALA 177 N 2.59 6.50 -1.78 5.51 0.00 -1.26 -4.64 120.51 127.42 3chg n ALA 177 Ca -0.18 -2.36 -0.37 0.00 0.00 0.00 0.00 53.44 50.53 3chg n ALA 177 Cb 0.53 -2.36 -0.06 0.00 0.00 0.00 0.00 19.45 17.57 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 0.24 3.59 0.17 0.00 0.51 -1.26 -4.91 118.94 117.29 3chg s TRP 178 Ca 0.65 1.75 -0.26 0.00 -2.12 0.00 0.00 56.10 56.11 3chg s TRP 178 Cb 0.32 -2.97 0.04 0.00 -0.81 0.00 0.00 33.47 30.05 3chg s TRP 178 CO -0.07 0.01 1.56 -0.44 -0.51 0.00 0.00 176.95 177.49 3chg h ASP 179 N 3.02 -1.67 -0.85 2.95 5.19 -1.96 0.28 116.42 123.38 3chg h ASP 179 Ca -0.47 0.28 0.22 0.00 -0.62 0.00 0.00 57.03 56.43 3chg h ASP 179 Cb 1.20 0.76 -0.14 0.00 0.18 0.00 0.00 39.33 41.33 3chg h ASP 179 CO 0.64 -0.31 0.20 0.77 -3.12 0.00 0.00 179.24 177.42 3chg h SER 180 N -0.15 -0.05 -0.32 6.45 4.64 -1.94 0.95 113.55 123.13 3chg h SER 180 Ca 0.20 0.19 -0.04 0.00 -0.47 0.00 0.00 61.79 61.66 3chg h SER 180 Cb 0.54 0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.87 3chg h SER 180 CO -0.79 -0.15 0.06 -0.62 -0.87 0.00 0.00 176.83 174.46 3chg n GLU 181 N -5.24 2.68 0.00 4.77 4.71 0.93 -2.08 120.64 126.42 3chg n GLU 181 Ca 0.20 -1.53 0.05 0.00 -0.01 0.00 0.00 57.16 55.86 3chg n GLU 181 Cb 0.63 -1.82 0.03 0.00 -1.01 0.00 0.00 31.44 29.26 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 0.20 0.00 -0.02 -3.67 5.41 0.32 -4.12 119.36 117.47 3chg n ILE 182 Ca 0.16 -0.47 0.06 0.00 1.00 0.00 0.00 62.75 63.50 3chg n ILE 182 Cb 0.78 1.18 -0.15 0.00 -0.71 0.00 0.00 39.64 40.74 3chg n ILE 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3chg n ALA 183 N 0.32 2.50 -0.11 -1.39 0.00 -0.88 -4.29 120.51 116.65 3chg n ALA 183 Ca 0.05 -0.60 -0.15 0.00 0.00 0.00 0.00 53.44 52.74 3chg n ALA 183 Cb 0.23 -0.57 -0.10 0.00 0.00 0.00 0.00 19.45 19.01 3chg n ALA 183 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3chg n SER 184 N -2.27 2.20 0.23 0.00 3.41 -1.12 -3.75 113.62 112.33 3chg n SER 184 Ca -0.08 -0.11 0.08 0.00 -0.26 0.00 0.00 58.87 58.49 3chg n SER 184 Cb 0.62 -0.29 0.56 0.00 -0.26 0.00 0.00 64.21 64.84 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 0.00 0.90 0.00 6.66 2.02 -1.82 -2.93 112.91 117.73 3chg h THR 185 Ca -0.49 -0.76 -0.13 0.00 0.77 0.00 0.00 66.41 65.79 3chg h THR 185 Cb 1.78 1.44 -0.02 0.00 -1.74 0.00 0.00 68.15 69.61 3chg h THR 185 CO -0.07 0.20 -1.51 0.59 0.37 0.00 0.00 175.52 175.10 3chg n ASN 186 N -3.94 0.65 0.00 4.18 5.03 -1.26 -0.91 115.26 119.01 3chg n ASN 186 Ca -0.02 0.28 0.12 0.00 0.87 0.00 0.00 54.58 55.83 3chg n ASN 186 Cb 0.29 0.56 0.72 0.00 -1.02 0.00 0.00 39.78 40.33 3chg n ASN 186 CO 0.00 0.00 0.00 0.55 -1.83 0.00 0.00 177.26 175.98 3chg n VAL 187 N -2.74 0.00 0.00 2.41 3.14 -1.11 -0.54 118.33 119.48 3chg n VAL 187 Ca -0.09 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 3chg n VAL 187 Cb 0.77 -0.40 0.00 0.00 -1.06 0.00 0.00 33.84 33.15 3chg n VAL 187 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3chg n ILE 188 N -0.89 0.00 0.00 1.55 3.06 -1.20 -3.02 119.36 118.86 3chg n ILE 188 Ca 0.18 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.43 3chg n ILE 188 Cb 0.08 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.26 3chg n ILE 188 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3chg n GLY 189 N 0.11 0.00 0.10 4.50 0.00 -0.09 -2.41 105.19 107.40 3chg n GLY 189 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 3chg n GLY 189 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3chg h LYS 190 N 0.00 0.21 -0.96 1.61 3.64 -0.95 -2.04 116.57 118.08 3chg h LYS 190 Ca 0.00 -0.37 0.15 0.00 -1.27 0.00 0.00 60.65 59.17 3chg h LYS 190 Cb 0.00 0.14 -0.09 0.00 -0.41 0.00 0.00 32.23 31.87 3chg h LYS 190 CO 0.00 1.17 0.61 0.28 -2.27 0.00 0.00 179.45 179.24 3chg h VAL 191 N -0.54 0.81 0.26 2.00 2.07 -1.71 1.18 116.25 120.31 3chg h VAL 191 Ca -0.11 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 3chg h VAL 191 Cb 1.47 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3chg h VAL 191 CO 0.10 0.14 -0.12 -0.07 0.02 0.00 0.00 177.57 177.64 3chg h LEU 192 N 0.79 -0.29 -0.66 2.57 3.38 -1.46 -3.21 115.31 116.43 3chg h LEU 192 Ca 0.51 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.58 3chg h LEU 192 Cb 0.73 0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.46 3chg h LEU 192 CO -0.27 -0.19 -0.27 1.21 0.09 0.00 0.00 178.44 179.00 3chg n GLU 193 N -3.02 -0.17 0.00 1.13 2.13 -0.70 0.13 120.64 120.14 3chg n GLU 193 Ca -0.04 1.02 0.00 0.00 0.66 0.00 0.00 57.16 58.79 3chg n GLU 193 Cb 0.14 -1.51 0.00 0.00 0.27 0.00 0.00 31.44 30.34 3chg n GLU 193 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3chg n ASP 194 N -4.96 0.00 -0.40 4.31 8.00 0.40 0.31 116.55 124.22 3chg n ASP 194 Ca 0.06 0.13 0.07 0.00 0.71 0.00 0.00 54.79 55.76 3chg n ASP 194 Cb 0.25 -0.13 0.13 0.00 -0.02 0.00 0.00 41.12 41.36 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 -1.11 2.02 0.00 0.64 4.77 0.12 -4.99 117.00 118.45 3chg n LEU 195 Ca 0.00 -2.95 0.00 0.00 -0.03 0.00 0.00 56.01 53.03 3chg n LEU 195 Cb 0.35 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3chg n LEU 195 CO 0.00 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 3chg n GLY 196 N -0.99 3.03 3.62 -0.72 0.00 0.15 0.16 105.19 110.44 3chg n GLY 196 Ca 0.14 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.16 1.63 -3.43 1.61 4.02 -1.25 -2.36 117.16 117.21 3chg n TYR 197 Ca 0.00 0.62 -0.38 0.00 -0.01 0.00 0.00 57.90 58.13 3chg n TYR 197 Cb 0.00 -2.33 -0.06 0.00 -0.02 0.00 0.00 39.34 36.93 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 -1.12 4.13 -0.14 -0.72 -6.30 -0.89 -4.24 118.70 109.43 3chg s GLU 198 Ca 0.63 0.39 0.02 0.00 -2.50 0.00 0.00 54.97 53.50 3chg s GLU 198 Cb -0.70 -3.33 0.00 0.00 0.00 0.00 0.00 34.13 30.10 3chg s GLU 198 CO 0.57 0.42 -0.19 0.08 0.02 0.00 0.00 175.26 176.16 3chg s VAL 199 N -0.22 2.34 0.06 3.70 1.01 -1.26 -1.28 120.40 124.75 3chg s VAL 199 Ca 0.24 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.36 3chg s VAL 199 Cb -0.16 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 3chg s VAL 199 CO 0.11 0.54 -0.11 0.42 0.00 0.00 0.00 175.10 176.06 3chg s THR 200 N 0.76 0.80 -0.41 3.92 -4.23 -1.22 -5.04 115.64 110.22 3chg s THR 200 Ca -0.07 -1.20 0.07 0.00 -1.18 0.00 0.00 61.69 59.31 3chg s THR 200 Cb -0.16 -0.84 0.24 0.00 1.34 0.00 0.00 72.50 73.08 3chg s THR 200 CO -0.00 -0.32 0.58 -0.11 -0.54 0.00 0.00 174.62 174.22 3chg n LEU 201 N 1.34 -0.48 -4.54 4.79 7.94 -1.26 -2.03 117.00 122.76 3chg n LEU 201 Ca -0.22 -4.40 -0.42 0.00 -1.11 0.00 0.00 56.01 49.86 3chg n LEU 201 Cb 0.55 0.67 -0.07 0.00 0.53 0.00 0.00 43.42 45.09 3chg n LEU 201 CO 0.21 2.04 0.32 -0.89 -1.11 0.00 0.00 177.39 177.97 3chg s THR 202 N -0.73 4.91 -0.29 1.96 2.01 -0.49 -4.79 115.64 118.22 3chg s THR 202 Ca 0.34 0.29 -0.28 0.00 0.31 0.00 0.00 61.69 62.34 3chg s THR 202 Cb 0.17 -4.09 0.01 0.00 0.01 0.00 0.00 72.50 68.60 3chg s THR 202 CO -0.14 -0.40 1.03 -1.58 -0.69 0.00 0.00 174.62 172.84 3chg s GLN 203 N 2.63 4.12 0.21 4.92 0.74 -1.26 -2.12 119.66 128.91 3chg s GLN 203 Ca 0.21 1.12 0.00 0.00 0.05 0.00 0.00 55.36 56.74 3chg s GLN 203 Cb -0.15 -3.70 -0.04 0.00 1.10 0.00 0.00 33.01 30.22 3chg s GLN 203 CO 0.16 -0.78 0.10 0.14 -0.55 0.00 0.00 175.29 174.36 3chg s VAL 204 N 3.42 0.27 0.41 1.34 -7.23 -0.82 -5.00 120.40 112.79 3chg s VAL 204 Ca 0.43 -1.99 -0.21 0.00 -1.81 0.00 0.00 61.98 58.40 3chg s VAL 204 Cb -0.13 -2.47 -0.11 0.00 0.56 0.00 0.00 36.38 34.23 3chg s VAL 204 CO 0.12 -0.09 0.93 -1.61 -0.31 0.00 0.00 175.10 174.14 3chg s GLU 205 N -4.08 4.27 0.12 4.82 2.02 -1.26 -4.22 118.70 120.36 3chg s GLU 205 Ca 0.36 1.12 -0.31 0.00 0.02 0.00 0.00 54.97 56.16 3chg s GLU 205 Cb 0.07 -2.29 -0.10 0.00 0.10 0.00 0.00 34.13 31.91 3chg s GLU 205 CO 0.11 0.03 1.78 0.00 0.02 0.00 0.00 175.26 177.20 3chg s ALA 206 N -2.08 3.76 0.00 5.21 0.00 -1.26 -0.76 121.76 126.63 3chg s ALA 206 Ca 0.60 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.97 3chg s ALA 206 Cb -0.11 -3.74 0.00 0.00 0.00 0.00 0.00 23.12 19.27 3chg s ALA 206 CO 0.15 -1.18 0.00 0.41 0.00 0.00 0.00 175.76 175.14 3chg n GLY 207 N 4.16 2.05 0.46 0.00 0.00 -1.26 -4.60 105.19 106.00 3chg n GLY 207 Ca 0.17 -0.76 0.27 0.00 0.00 0.00 0.00 46.02 45.70 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 0.10 0.26 1.61 0.11 -1.94 -1.70 132.00 130.43 3chg h PRO 208 Ca 0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 3chg h PRO 208 Cb 0.00 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.06 3chg h PRO 208 CO 0.00 0.06 -0.43 1.98 -0.21 0.00 0.00 178.00 179.40 3chg h MET 209 N 0.10 -0.71 -0.45 1.05 4.05 -1.25 0.38 114.93 118.10 3chg h MET 209 Ca 0.46 0.05 0.08 0.00 -0.28 0.00 0.00 59.70 60.00 3chg h MET 209 Cb 1.66 0.16 -0.06 0.00 -0.80 0.00 0.00 31.60 32.56 3chg h MET 209 CO -0.06 -0.47 0.07 -1.49 0.23 0.00 0.00 176.91 175.19 3chg h TRP 210 N -0.73 0.11 -0.23 1.39 4.06 -1.62 -2.43 115.95 116.50 3chg h TRP 210 Ca -0.03 0.03 0.06 0.00 2.06 0.00 0.00 58.89 61.01 3chg h TRP 210 Cb 0.68 0.02 -0.07 0.00 -1.00 0.00 0.00 29.16 28.79 3chg h TRP 210 CO -0.33 -0.02 -0.33 1.15 -3.56 0.00 0.00 178.44 175.35 3chg h THR 211 N 0.20 0.26 -0.81 1.49 2.02 -1.21 0.39 112.91 115.25 3chg h THR 211 Ca 0.22 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.58 3chg h THR 211 Cb 0.30 0.26 -0.11 0.00 -1.74 0.00 0.00 68.15 66.85 3chg h THR 211 CO -0.31 0.00 0.32 0.00 0.37 0.00 0.00 175.52 175.90 3chg h ALA 212 N 0.51 1.18 0.53 6.16 0.00 -0.45 0.78 119.26 127.97 3chg h ALA 212 Ca 0.12 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 3chg h ALA 212 Cb 0.55 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.47 3chg h ALA 212 CO -0.42 -0.27 -0.26 0.82 0.00 0.00 0.00 179.25 179.12 3chg h ILE 213 N 0.41 0.35 0.00 0.00 1.08 -1.02 0.27 117.51 118.59 3chg h ILE 213 Ca 0.47 -0.38 -0.01 0.00 -0.39 0.00 0.00 64.86 64.55 3chg h ILE 213 Cb 0.79 0.47 -0.00 0.00 -3.07 0.00 0.00 36.82 35.01 3chg h ILE 213 CO -0.47 0.05 -0.04 0.00 -0.69 0.00 0.00 178.15 177.00 3chg h ALA 214 N -0.70 1.11 0.00 1.87 0.00 -0.09 -2.23 119.26 119.22 3chg h ALA 214 Ca -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3chg h ALA 214 Cb 0.62 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3chg h ALA 214 CO 0.12 0.04 -1.73 0.25 0.00 0.00 0.00 179.25 177.93 3chg n THR 215 N -3.29 0.00 -0.04 0.00 -2.24 0.19 -4.87 114.28 104.03 3chg n THR 215 Ca -0.02 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 3chg n THR 215 Cb 0.18 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 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 1.50 0.98 0.00 3.38 0.00 -0.11 -4.96 105.19 105.98 3chg n GLY 216 Ca -0.03 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 0.05 0.00 -3.87 1.61 3.41 0.75 -4.75 113.62 110.82 3chg n SER 217 Ca 0.00 -1.03 -0.09 0.00 -0.26 0.00 0.00 58.87 57.49 3chg n SER 217 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 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 -2.00 -0.19 -0.16 7.33 0.00 -1.06 -4.97 121.76 120.71 3chg s ALA 218 Ca 0.36 -0.66 -0.13 0.00 0.00 0.00 0.00 51.96 51.54 3chg s ALA 218 Cb 0.17 0.53 -0.06 0.00 0.00 0.00 0.00 23.12 23.75 3chg s ALA 218 CO 0.28 -0.52 -0.16 -0.25 0.00 0.00 0.00 175.76 175.11 3chg n ASP 219 N -0.08 1.84 -4.10 0.00 8.00 -1.21 -4.54 116.55 116.47 3chg n ASP 219 Ca -0.14 0.54 -0.09 0.00 0.71 0.00 0.00 54.79 55.81 3chg n ASP 219 Cb 0.62 -0.86 -0.10 0.00 -0.02 0.00 0.00 41.12 40.76 3chg n ASP 219 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3chg s ALA 220 N -2.70 0.62 -0.28 2.24 0.00 -1.01 -0.83 121.76 119.79 3chg s ALA 220 Ca -0.20 -1.14 -0.01 0.00 0.00 0.00 0.00 51.96 50.61 3chg s ALA 220 Cb 0.03 0.20 0.13 0.00 0.00 0.00 0.00 23.12 23.49 3chg s ALA 220 CO 0.32 -0.27 0.30 0.45 0.00 0.00 0.00 175.76 176.56 3chg s SER 221 N -2.66 1.42 -0.31 0.00 0.15 0.18 -3.39 113.70 109.08 3chg s SER 221 Ca 0.04 -0.58 -0.01 0.00 0.70 0.00 0.00 55.95 56.10 3chg s SER 221 Cb 0.03 0.59 0.18 0.00 -1.71 0.00 0.00 66.02 65.12 3chg s SER 221 CO -0.06 -0.37 2.12 0.18 1.20 0.00 0.00 173.24 176.30 3chg n LEU 222 N 5.32 6.41 -2.75 3.45 4.32 -1.26 -1.87 117.00 130.62 3chg n LEU 222 Ca -0.02 -3.34 -0.04 0.00 -0.02 0.00 0.00 56.01 52.58 3chg n LEU 222 Cb 0.47 -1.08 0.04 0.00 -1.62 0.00 0.00 43.42 41.23 3chg n LEU 222 CO 0.02 1.28 -0.03 -1.20 -1.22 0.00 0.00 177.39 176.23 3chg n SER 223 N 0.48 1.34 -4.48 -1.43 7.64 -1.22 -4.82 113.62 111.12 3chg n SER 223 Ca 0.31 -2.35 -0.34 0.00 1.01 0.00 0.00 58.87 57.50 3chg n SER 223 Cb 0.58 -0.43 -0.12 0.00 -1.01 0.00 0.00 64.21 63.22 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 -3.29 2.98 -0.37 -0.43 0.00 -1.14 -4.91 121.76 114.60 3chg s ALA 224 Ca 0.26 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.33 3chg s ALA 224 Cb 0.39 -1.56 0.07 0.00 0.00 0.00 0.00 23.12 22.02 3chg s ALA 224 CO -0.01 0.16 0.14 -1.58 0.00 0.00 0.00 175.76 174.46 3chg s TRP 225 N 0.47 3.39 0.21 0.00 0.52 -1.26 -0.42 118.94 121.84 3chg s TRP 225 Ca -0.04 -1.93 0.03 0.00 0.02 0.00 0.00 56.10 54.19 3chg s TRP 225 Cb -0.14 -2.68 -0.05 0.00 -1.15 0.00 0.00 33.47 29.44 3chg s TRP 225 CO 0.03 -0.86 -0.02 -0.51 0.02 0.00 0.00 176.95 175.61 3chg s LEU 226 N 1.27 2.25 -0.43 2.99 1.43 0.68 -0.14 118.68 126.73 3chg s LEU 226 Ca 0.02 -1.17 0.05 0.00 -1.03 0.00 0.00 54.13 52.00 3chg s LEU 226 Cb -0.21 -0.26 0.42 0.00 0.03 0.00 0.00 46.19 46.17 3chg s LEU 226 CO -0.01 -0.48 1.11 -0.81 0.23 0.00 0.00 176.35 176.39 3chg n PRO 227 N -0.35 3.42 0.15 1.29 -0.04 -1.26 -0.15 135.00 138.06 3chg n PRO 227 Ca -0.06 -4.48 0.00 0.00 -0.04 0.00 0.00 63.50 58.92 3chg n PRO 227 Cb 0.63 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 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 -0.49 -1.79 -0.15 3.54 4.05 -1.26 -4.69 115.26 114.46 3chg n ASN 228 Ca 0.39 0.55 -0.06 0.00 0.45 0.00 0.00 54.58 55.91 3chg n ASN 228 Cb 0.68 1.81 0.00 0.00 1.23 0.00 0.00 39.78 43.50 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 0.00 0.24 -0.31 -0.44 2.02 -1.85 -0.77 112.91 111.80 3chg h THR 229 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3chg h THR 229 Cb 0.00 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 3chg h THR 229 CO 0.00 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.30 3chg n HIS 230 N -5.42 0.40 -0.10 3.16 8.25 0.80 -4.43 115.22 117.87 3chg n HIS 230 Ca 0.03 -0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 3chg n HIS 230 Cb 0.34 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.47 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 1.19 -0.05 -0.04 -0.41 4.81 -0.29 -1.94 118.16 121.42 3chg n LYS 231 Ca 0.18 0.43 -0.08 0.00 -0.87 0.00 0.00 58.31 57.97 3chg n LYS 231 Cb 0.54 -0.64 -0.02 0.00 0.02 0.00 0.00 35.03 34.93 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 0.44 0.02 -0.33 3.14 0.00 -1.83 -1.91 119.26 118.79 3chg h ALA 232 Ca 0.11 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 3chg h ALA 232 Cb 0.18 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3chg h ALA 232 CO -0.28 -0.56 -0.27 1.88 0.00 0.00 0.00 179.25 180.02 3chg h TYR 233 N -0.13 0.77 -0.12 0.00 0.05 -1.78 -2.21 116.97 113.54 3chg h TYR 233 Ca 0.12 -0.19 0.04 0.00 0.05 0.00 0.00 58.73 58.76 3chg h TYR 233 Cb 0.32 -0.18 -0.05 0.00 1.01 0.00 0.00 36.73 37.83 3chg h TYR 233 CO -0.30 0.88 -0.17 0.00 -1.05 0.00 0.00 178.16 177.52 3chg h ALA 234 N 1.12 -0.10 0.00 3.88 0.00 -1.28 0.32 119.26 123.20 3chg h ALA 234 Ca 0.08 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3chg h ALA 234 Cb 0.76 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3chg h ALA 234 CO 0.06 -0.62 -0.10 0.00 0.00 0.00 0.00 179.25 178.59 3chg h ALA 235 N 0.82 1.15 -0.05 0.00 0.00 -1.47 -3.24 119.26 116.46 3chg h ALA 235 Ca 0.09 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 3chg h ALA 235 Cb 0.35 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3chg h ALA 235 CO -0.25 0.12 -0.80 -0.22 0.00 0.00 0.00 179.25 178.10 3chg h LYS 236 N 0.00 0.41 -3.69 0.00 3.64 -0.14 -3.34 116.57 113.45 3chg h LYS 236 Ca -0.00 -0.37 -0.64 0.00 -1.27 0.00 0.00 60.65 58.36 3chg h LYS 236 Cb 0.39 0.09 -0.41 0.00 -0.41 0.00 0.00 32.23 31.89 3chg h LYS 236 CO 0.01 1.02 -0.67 0.71 -2.27 0.00 0.00 179.45 178.26 3chg s TYR 237 N -3.50 3.15 0.00 1.91 2.02 0.87 -5.06 117.35 116.74 3chg s TYR 237 Ca -0.06 -3.00 0.00 0.00 -0.37 0.00 0.00 57.07 53.64 3chg s TYR 237 Cb 0.10 -2.71 0.00 0.00 -0.40 0.00 0.00 41.96 38.95 3chg s TYR 237 CO 0.85 -0.81 0.00 1.63 -1.57 0.00 0.00 175.55 175.65 3chg n LYS 238 N 3.52 0.00 0.00 -0.62 5.02 -1.22 -4.47 118.16 120.39 3chg n LYS 238 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 3chg n LYS 238 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.36 3chg n LYS 238 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3chg n GLY 239 N 4.24 0.78 0.44 0.72 0.00 -1.26 -3.15 105.19 106.96 3chg n GLY 239 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 0.71 2.00 -4.06 1.61 5.02 -1.26 -5.00 118.16 117.17 3chg n LYS 240 Ca 0.00 -2.71 -0.12 0.00 -2.02 0.00 0.00 58.31 53.47 3chg n LYS 240 Cb 0.19 -1.65 -0.06 0.00 -0.02 0.00 0.00 35.03 33.49 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 -2.87 0.75 -0.17 2.13 -0.00 -1.19 -4.39 117.35 111.61 3chg s TYR 241 Ca 0.37 -1.05 -0.00 0.00 -0.00 0.00 0.00 57.07 56.39 3chg s TYR 241 Cb 0.31 -0.03 0.00 0.00 -0.00 0.00 0.00 41.96 42.25 3chg s TYR 241 CO 0.05 -1.00 -0.15 -0.51 -0.00 0.00 0.00 175.55 173.94 3chg s ASP 242 N -3.12 3.56 -0.42 -0.18 1.01 -0.07 -4.74 116.67 112.70 3chg s ASP 242 Ca 0.28 -0.52 -0.15 0.00 0.71 0.00 0.00 52.55 52.87 3chg s ASP 242 Cb 0.01 -1.56 0.03 0.00 1.01 0.00 0.00 42.92 42.41 3chg s ASP 242 CO 0.14 0.04 0.31 -0.62 0.21 0.00 0.00 175.17 175.25 3chg s ASP 243 N 1.07 6.08 -0.09 0.27 -1.08 -1.26 0.01 116.67 121.67 3chg s ASP 243 Ca -0.00 -1.00 0.09 0.00 -0.52 0.00 0.00 52.55 51.11 3chg s ASP 243 Cb -0.14 -2.15 -0.13 0.00 -1.46 0.00 0.00 42.92 39.04 3chg s ASP 243 CO -0.05 -0.49 0.06 2.30 0.52 0.00 0.00 175.17 177.51 3chg n ILE 244 N 5.15 0.61 -4.00 4.11 -5.35 -1.12 -5.04 119.36 113.71 3chg n ILE 244 Ca -0.11 -0.40 -0.08 0.00 -0.27 0.00 0.00 62.75 61.89 3chg n ILE 244 Cb 0.46 -0.63 -0.09 0.00 -1.74 0.00 0.00 39.64 37.64 3chg n ILE 244 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3chg s GLY 245 N -4.11 0.36 -0.45 3.28 0.00 -1.22 -4.84 107.32 100.33 3chg s GLY 245 Ca -0.05 -0.98 0.03 0.00 0.00 0.00 0.00 44.72 43.72 3chg s GLY 245 CO 0.41 -1.10 0.22 -1.59 0.00 0.00 0.00 173.10 171.04 3chg s THR 246 N -3.91 1.96 0.09 0.90 2.01 -1.26 -2.31 115.64 113.13 3chg s THR 246 Ca 0.08 -2.77 -0.32 0.00 0.31 0.00 0.00 61.69 58.99 3chg s THR 246 Cb 0.07 -2.38 -0.14 0.00 0.01 0.00 0.00 72.50 70.05 3chg s THR 246 CO -0.09 -0.81 1.61 -1.28 -0.69 0.00 0.00 174.62 173.36 3chg h SER 247 N 6.83 -1.00 -4.30 3.53 0.87 -1.54 -3.43 113.55 114.51 3chg h SER 247 Ca -0.05 0.08 -0.40 0.00 -1.23 0.00 0.00 61.79 60.19 3chg h SER 247 Cb 0.93 0.33 -0.20 0.00 -0.44 0.00 0.00 62.40 63.02 3chg h SER 247 CO 0.57 -0.52 -0.76 -0.04 -0.53 0.00 0.00 176.83 175.55 3chg s MET 248 N -5.99 0.90 0.15 2.24 -1.94 -1.03 -2.12 119.30 111.51 3chg s MET 248 Ca -0.17 -1.10 0.09 0.00 -1.71 0.00 0.00 55.69 52.80 3chg s MET 248 Cb 0.06 -0.81 -0.04 0.00 2.01 0.00 0.00 34.83 36.05 3chg s MET 248 CO 0.63 0.16 -0.20 0.95 -0.01 0.00 0.00 175.02 176.55 3chg s THR 249 N -1.79 1.89 -0.52 2.05 -4.23 -1.26 -2.90 115.64 108.87 3chg s THR 249 Ca 0.03 -1.81 -0.02 0.00 -1.18 0.00 0.00 61.69 58.71 3chg s THR 249 Cb -0.07 -1.80 -0.03 0.00 1.34 0.00 0.00 72.50 71.94 3chg s THR 249 CO 0.02 -0.18 0.46 0.61 -0.54 0.00 0.00 174.62 174.99 3chg n GLY 250 N 0.58 -0.32 3.45 3.99 0.00 -1.12 -5.02 105.19 106.75 3chg n GLY 250 Ca -0.15 0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.16 3.43 0.10 1.61 -7.23 -1.03 -5.00 120.40 109.12 3chg s VAL 251 Ca 0.19 -0.53 0.05 0.00 -1.81 0.00 0.00 61.98 59.87 3chg s VAL 251 Cb -0.02 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 3chg s VAL 251 CO 0.39 0.53 -0.00 -0.54 -0.31 0.00 0.00 175.10 175.16 3chg s LYS 252 N 0.14 2.52 0.07 4.82 -0.14 -1.21 -4.17 119.74 121.76 3chg s LYS 252 Ca -0.04 -0.88 -0.22 0.00 -1.36 0.00 0.00 55.97 53.47 3chg s LYS 252 Cb -0.14 -2.51 0.05 0.00 -1.68 0.00 0.00 37.83 33.55 3chg s LYS 252 CO 0.04 0.53 0.53 0.00 -0.76 0.00 0.00 175.35 175.69 3chg s MET 253 N -2.39 1.08 0.00 1.68 0.23 -1.26 0.11 119.30 118.75 3chg s MET 253 Ca 0.26 -0.29 0.00 0.00 -1.03 0.00 0.00 55.69 54.63 3chg s MET 253 Cb -0.11 0.49 0.00 0.00 -1.53 0.00 0.00 34.83 33.68 3chg s MET 253 CO 0.18 -0.41 0.00 0.41 -2.03 0.00 0.00 175.02 173.17 3chg n GLY 254 N 0.24 -0.91 3.74 3.16 0.00 -0.27 -4.92 105.19 106.23 3chg n GLY 254 Ca -0.18 -1.23 -0.41 0.00 0.00 0.00 0.00 46.02 44.20 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 4.41 -0.05 0.99 1.43 -1.26 -0.40 118.68 123.80 3chg s LEU 255 Ca 0.00 2.49 0.02 0.00 -1.03 0.00 0.00 54.13 55.61 3chg s LEU 255 Cb 0.00 -3.62 0.02 0.00 0.03 0.00 0.00 46.19 42.62 3chg s LEU 255 CO 0.00 -0.56 -0.09 -0.69 0.23 0.00 0.00 176.35 175.23 3chg s VAL 256 N -0.04 0.90 0.21 -1.59 1.01 0.27 -2.68 120.40 118.49 3chg s VAL 256 Ca 0.57 -0.35 0.10 0.00 0.00 0.00 0.00 61.98 62.30 3chg s VAL 256 Cb -0.38 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.11 3chg s VAL 256 CO 0.41 0.30 -0.19 0.68 0.00 0.00 0.00 175.10 176.29 3chg s VAL 257 N 0.71 2.10 0.64 2.92 -7.23 -1.08 0.20 120.40 118.66 3chg s VAL 257 Ca -0.13 -2.12 -0.11 0.00 -1.81 0.00 0.00 61.98 57.81 3chg s VAL 257 Cb -0.15 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.70 3chg s VAL 257 CO 0.02 -0.34 1.04 -2.16 -0.31 0.00 0.00 175.10 173.35 3chg s PRO 258 N -3.09 3.43 0.00 4.82 0.04 -1.26 -1.98 135.00 136.95 3chg s PRO 258 Ca 0.22 0.82 0.31 0.00 0.04 0.00 0.00 61.00 62.39 3chg s PRO 258 Cb -0.05 -2.06 1.70 0.00 0.04 0.00 0.00 34.50 34.13 3chg s PRO 258 CO 0.10 -0.71 2.13 0.94 0.04 0.00 0.00 177.00 179.50 3chg n GLN 259 N -2.79 0.75 -0.47 4.56 7.27 -0.86 -2.37 117.38 123.47 3chg n GLN 259 Ca 0.06 -0.03 0.10 0.00 0.07 0.00 0.00 57.00 57.21 3chg n GLN 259 Cb 0.54 -1.50 0.33 0.00 2.41 0.00 0.00 30.24 32.02 3chg n GLN 259 CO 0.00 0.00 0.00 2.48 0.07 0.00 0.00 177.06 179.61 3chg n TYR 260 N -1.10 1.17 -2.18 3.69 0.18 -1.26 -4.19 117.16 113.47 3chg n TYR 260 Ca 0.19 -0.52 -0.39 0.00 1.88 0.00 0.00 57.90 59.06 3chg n TYR 260 Cb 0.18 -0.11 0.03 0.00 -0.38 0.00 0.00 39.34 39.06 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 1.35 3.60 0.31 -3.48 2.81 -1.00 -4.82 117.12 115.90 3chg n MET 261 Ca 0.24 -3.94 0.18 0.00 -1.81 0.00 0.00 57.70 52.38 3chg n MET 261 Cb 0.71 -2.33 0.98 0.00 -0.71 0.00 0.00 33.22 31.87 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 3.34 0.00 0.00 0.03 2.10 -1.87 0.45 116.57 120.63 3chg h LYS 262 Ca 0.54 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.19 3chg h LYS 262 Cb 0.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.49 3chg h LYS 262 CO 1.32 0.00 0.00 -1.71 -2.00 0.00 0.00 179.45 177.06 3chg n ASN 263 N -2.88 0.00 -3.49 7.07 5.15 -1.26 -4.53 115.26 115.32 3chg n ASN 263 Ca -0.02 -1.00 -0.29 0.00 -0.60 0.00 0.00 54.58 52.67 3chg n ASN 263 Cb 0.19 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.33 3chg n ASN 263 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3chg s VAL 264 N -2.00 0.43 -0.91 3.44 1.01 0.15 -5.00 120.40 117.51 3chg s VAL 264 Ca 0.40 -2.11 0.10 0.00 0.00 0.00 0.00 61.98 60.37 3chg s VAL 264 Cb 0.18 -1.31 0.29 0.00 0.00 0.00 0.00 36.38 35.54 3chg s VAL 264 CO 0.30 -1.04 1.23 0.59 0.00 0.00 0.00 175.10 176.19 3chg n ASN 265 N 3.64 2.86 -3.53 3.32 3.02 -1.26 -4.95 115.26 118.36 3chg n ASN 265 Ca 0.16 -1.98 -0.11 0.00 -0.03 0.00 0.00 54.58 52.62 3chg n ASN 265 Cb 0.39 -0.22 -0.02 0.00 -0.61 0.00 0.00 39.78 39.33 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 -1.00 -0.49 0.21 6.41 0.15 -1.26 -3.08 113.70 114.64 3chg s SER 266 Ca 0.22 -0.15 -0.10 0.00 0.70 0.00 0.00 55.95 56.62 3chg s SER 266 Cb 0.12 0.63 0.18 0.00 -1.71 0.00 0.00 66.02 65.24 3chg s SER 266 CO 0.15 -1.06 1.85 0.40 1.20 0.00 0.00 173.24 175.79 3chg h ILE 267 N 2.00 1.11 0.00 6.45 1.08 -1.83 -2.39 117.51 123.93 3chg h ILE 267 Ca -0.30 -0.30 -0.04 0.00 -0.39 0.00 0.00 64.86 63.83 3chg h ILE 267 Cb 1.29 0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 35.19 3chg h ILE 267 CO 0.34 0.16 -0.17 1.05 -0.69 0.00 0.00 178.15 178.84 3chg h GLU 268 N 0.89 0.00 0.00 2.37 4.11 -1.90 -0.58 114.58 119.47 3chg h GLU 268 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.71 3chg h GLU 268 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3chg h GLU 268 CO -0.10 0.17 -0.18 -0.25 0.07 0.00 0.00 179.01 178.72 3chg n ASP 269 N -3.68 0.30 -0.29 3.06 8.00 -0.93 -4.01 116.55 118.99 3chg n ASP 269 Ca -0.01 0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.76 3chg n ASP 269 Cb 0.30 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 3chg n ASP 269 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3chg n LEU 270 N -1.65 0.33 0.00 0.64 -0.00 -0.22 -3.23 117.00 112.86 3chg n LEU 270 Ca 0.06 -0.17 0.00 0.00 -0.00 0.00 0.00 56.01 55.91 3chg n LEU 270 Cb 0.36 -0.17 0.00 0.00 -0.00 0.00 0.00 43.42 43.61 3chg n LEU 270 CO 0.30 0.08 0.00 1.17 -0.00 0.00 0.00 177.39 178.95 3chg n LYS 271 N -0.08 0.01 0.00 1.96 4.81 -1.26 -5.11 118.16 118.49 3chg n LYS 271 Ca 0.00 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.59 3chg n LYS 271 Cb 0.08 -0.02 0.64 0.00 0.02 0.00 0.00 35.03 35.76 3chg n LYS 271 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93