#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khd n ALA 20 N 0.00 5.68 -3.00 0.00 0.00 -0.83 -4.89 120.51 117.47 3khd n ALA 20 Ca 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 53.44 49.89 3khd n ALA 20 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3khd n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3khd n GLY 21 N -0.87 5.13 3.75 0.00 0.00 -0.91 -4.67 105.19 107.62 3khd n GLY 21 Ca 0.54 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 3khd n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khd s ALA 22 N -2.00 3.45 0.72 4.61 0.00 -1.25 -2.31 121.76 124.97 3khd s ALA 22 Ca 0.00 1.01 -0.01 0.00 0.00 0.00 0.00 51.96 52.96 3khd s ALA 22 Cb 0.00 -3.40 0.12 0.00 0.00 0.00 0.00 23.12 19.85 3khd s ALA 22 CO 0.00 -0.36 0.99 -1.54 0.00 0.00 0.00 175.76 174.85 3khd s SER 23 N -0.45 4.38 0.16 0.00 1.04 -1.26 -4.88 113.70 112.69 3khd s SER 23 Ca 0.48 -0.31 -0.21 0.00 0.48 0.00 0.00 55.95 56.40 3khd s SER 23 Cb -0.34 -0.10 0.06 0.00 0.10 0.00 0.00 66.02 65.73 3khd s SER 23 CO 0.43 -1.84 1.63 0.24 0.98 0.00 0.00 173.24 174.68 3khd h MET 24 N -0.52 -0.18 -0.18 4.02 2.07 -2.00 -1.92 114.93 116.21 3khd h MET 24 Ca -0.37 0.01 -0.03 0.00 -2.07 0.00 0.00 59.70 57.24 3khd h MET 24 Cb 1.27 0.04 -0.01 0.00 -1.87 0.00 0.00 31.60 31.03 3khd h MET 24 CO 0.41 -0.12 0.00 0.37 1.07 0.00 0.00 176.91 178.64 3khd h GLN 25 N -0.19 0.33 -0.80 1.72 5.75 -1.98 -2.73 115.11 117.20 3khd h GLN 25 Ca 0.16 -0.10 0.02 0.00 -0.15 0.00 0.00 58.65 58.58 3khd h GLN 25 Cb 0.44 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.91 3khd h GLN 25 CO -0.42 0.53 0.52 0.77 -2.65 0.00 0.00 178.83 177.58 3khd h SER 26 N 0.08 0.89 -0.23 -0.69 0.02 -1.87 -1.29 113.55 110.46 3khd h SER 26 Ca 0.05 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.84 3khd h SER 26 Cb 0.39 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 3khd h SER 26 CO 0.01 0.63 -0.41 0.00 -1.14 0.00 0.00 176.83 175.92 3khd h ALA 27 N 1.32 0.68 0.00 3.77 0.00 -1.35 -2.47 119.26 121.20 3khd h ALA 27 Ca 0.31 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3khd h ALA 27 Cb -0.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3khd h ALA 27 CO -0.09 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.83 3khd h ALA 28 N 0.91 1.00 -0.29 0.00 0.00 -1.25 -3.04 119.26 116.58 3khd h ALA 28 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3khd h ALA 28 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3khd h ALA 28 CO 0.09 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.43 3khd n ASN 29 N -2.54 2.40 -4.61 0.00 3.02 -0.51 -4.89 115.26 108.13 3khd n ASN 29 Ca 0.03 -1.86 -0.43 0.00 -0.03 0.00 0.00 54.58 52.29 3khd n ASN 29 Cb 0.31 -0.19 -0.03 0.00 -0.61 0.00 0.00 39.78 39.27 3khd n ASN 29 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3khd s ILE 30 N -1.62 3.15 0.68 2.41 1.01 -1.14 -4.95 121.20 120.73 3khd s ILE 30 Ca 0.34 0.16 -0.11 0.00 0.00 0.00 0.00 60.65 61.04 3khd s ILE 30 Cb 0.19 -3.18 -0.00 0.00 0.01 0.00 0.00 42.46 39.47 3khd s ILE 30 CO 0.27 -0.11 1.05 0.42 0.00 0.00 0.00 174.94 176.58 3khd s THR 31 N 7.45 4.19 0.39 2.92 -4.23 -1.26 -4.96 115.64 120.13 3khd s THR 31 Ca 0.93 0.71 0.09 0.00 -1.18 0.00 0.00 61.69 62.24 3khd s THR 31 Cb -0.31 -3.53 0.16 0.00 1.34 0.00 0.00 72.50 70.16 3khd s THR 31 CO 0.35 -0.93 1.92 0.17 -0.54 0.00 0.00 174.62 175.59 3khd h LEU 32 N -0.61 0.24 -0.99 4.79 -0.00 -2.01 -2.67 115.31 114.06 3khd h LEU 32 Ca -0.44 -0.05 0.03 0.00 -0.00 0.00 0.00 57.88 57.42 3khd h LEU 32 Cb 1.21 -0.06 -0.06 0.00 -0.00 0.00 0.00 40.66 41.75 3khd h LEU 32 CO 0.58 0.39 0.65 -0.09 -0.00 0.00 0.00 178.44 179.98 3khd h ARG 33 N 0.25 1.25 -0.44 0.17 2.43 -1.94 -1.87 114.38 114.22 3khd h ARG 33 Ca 0.05 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3khd h ARG 33 Cb 0.36 -0.28 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3khd h ARG 33 CO 0.02 0.83 0.24 1.96 -1.51 0.00 0.00 179.97 181.51 3khd h GLN 34 N 1.29 0.60 0.00 0.20 4.20 -1.74 0.84 115.11 120.51 3khd h GLN 34 Ca 0.39 -0.05 -0.17 0.00 0.06 0.00 0.00 58.65 58.87 3khd h GLN 34 Cb -0.05 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.57 3khd h GLN 34 CO -0.11 0.44 -1.28 0.82 -0.67 0.00 0.00 178.83 178.03 3khd h ILE 35 N 0.61 0.65 0.00 2.54 2.04 -1.51 -3.42 117.51 118.43 3khd h ILE 35 Ca 0.16 -2.18 -0.22 0.00 1.00 0.00 0.00 64.86 63.62 3khd h ILE 35 Cb 0.01 2.18 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 3khd h ILE 35 CO -0.03 0.37 -1.82 0.18 0.00 0.00 0.00 178.15 176.85 3khd n LEU 36 N -2.98 2.93 -4.62 1.44 4.77 -0.74 -4.96 117.00 112.83 3khd n LEU 36 Ca -0.08 -0.08 -0.39 0.00 -0.03 0.00 0.00 56.01 55.43 3khd n LEU 36 Cb 0.85 -0.49 -0.08 0.00 -2.33 0.00 0.00 43.42 41.37 3khd n LEU 36 CO 0.43 0.74 0.15 -1.61 -1.33 0.00 0.00 177.39 175.76 3khd s GLU 37 N -2.29 4.06 0.00 3.23 2.02 0.28 -5.07 118.70 120.92 3khd s GLU 37 Ca -0.19 0.18 0.00 0.00 0.02 0.00 0.00 54.97 54.98 3khd s GLU 37 Cb 0.05 -3.64 0.00 0.00 0.10 0.00 0.00 34.13 30.64 3khd s GLU 37 CO 0.34 -0.28 0.00 -0.35 0.02 0.00 0.00 175.26 174.99 3khd n PRO 38 N 5.31 0.97 -2.86 0.39 -0.04 -1.26 -4.64 135.00 132.87 3khd n PRO 38 Ca -0.07 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.28 3khd n PRO 38 Cb 0.50 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.98 3khd n PRO 38 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3khd n ASN 40 N 0.00 -2.19 -4.81 3.54 4.13 -1.26 -5.16 115.26 109.50 3khd n ASN 40 Ca 0.00 -3.13 -0.30 0.00 1.68 0.00 0.00 54.58 52.83 3khd n ASN 40 Cb 0.00 1.23 -0.06 0.00 -1.54 0.00 0.00 39.78 39.41 3khd n ASN 40 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3khd s VAL 41 N 0.27 4.74 0.19 2.41 1.01 -1.26 -5.07 120.40 122.68 3khd s VAL 41 Ca 0.33 -0.71 -0.33 0.00 0.00 0.00 0.00 61.98 61.27 3khd s VAL 41 Cb 0.20 -3.31 -0.14 0.00 0.00 0.00 0.00 36.38 33.13 3khd s VAL 41 CO -0.21 0.10 1.45 -3.20 0.00 0.00 0.00 175.10 173.25 3khd n ASN 42 N 0.33 2.67 0.18 3.32 2.85 -1.26 -4.91 115.26 118.44 3khd n ASN 42 Ca -0.08 1.12 0.02 0.00 -0.11 0.00 0.00 54.58 55.53 3khd n ASN 42 Cb 0.52 -1.39 0.32 0.00 1.24 0.00 0.00 39.78 40.47 3khd n ASN 42 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 3khd h LEU 43 N 4.87 0.00 -0.05 1.20 3.38 -1.92 -2.49 115.31 120.31 3khd h LEU 43 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3khd h LEU 43 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3khd h LEU 43 CO 0.81 0.43 0.00 0.54 0.09 0.00 0.00 178.44 180.31 3khd n ARG 44 N -3.95 1.03 0.12 1.13 1.74 -1.26 -3.00 116.66 112.47 3khd n ARG 44 Ca -0.02 -0.05 0.13 0.00 -0.77 0.00 0.00 57.85 57.15 3khd n ARG 44 Cb 0.47 -1.49 0.34 0.00 -1.02 0.00 0.00 32.46 30.76 3khd n ARG 44 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3khd h SER 45 N 0.11 0.00 -3.38 0.55 0.87 -1.83 -3.47 113.55 106.40 3khd h SER 45 Ca 0.00 -0.02 -0.45 0.00 -1.23 0.00 0.00 61.79 60.09 3khd h SER 45 Cb 0.02 0.00 0.22 0.00 -0.44 0.00 0.00 62.40 62.20 3khd h SER 45 CO 0.00 0.01 -0.00 2.29 -0.53 0.00 0.00 176.83 178.60 3khd n LYS 46 N -2.38 -2.10 -0.13 2.24 2.85 -1.16 -5.01 118.16 112.46 3khd n LYS 46 Ca 0.05 -0.58 -0.26 0.00 -1.05 0.00 0.00 58.31 56.48 3khd n LYS 46 Cb 0.45 -2.19 -0.11 0.00 -0.65 0.00 0.00 35.03 32.53 3khd n LYS 46 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3khd n LYS 47 N -4.76 0.60 -2.20 -1.58 4.76 -1.26 -4.78 118.16 108.95 3khd n LYS 47 Ca 0.05 0.22 -0.41 0.00 -2.87 0.00 0.00 58.31 55.29 3khd n LYS 47 Cb 0.54 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 32.21 3khd n LYS 47 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3khd s THR 48 N -2.51 3.08 0.15 -0.18 2.01 -1.26 -0.63 115.64 116.30 3khd s THR 48 Ca -0.37 0.94 0.03 0.00 0.31 0.00 0.00 61.69 62.59 3khd s THR 48 Cb 0.13 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 3khd s THR 48 CO 0.52 0.16 0.27 -1.00 -0.69 0.00 0.00 174.62 173.88 3khd s HIS 49 N -0.24 3.45 -0.13 4.92 3.76 -0.76 -4.96 115.29 121.33 3khd s HIS 49 Ca 0.54 0.10 0.00 0.00 -0.15 0.00 0.00 55.06 55.56 3khd s HIS 49 Cb -0.37 -1.65 -0.01 0.00 1.11 0.00 0.00 32.58 31.65 3khd s HIS 49 CO 0.42 0.52 -0.14 0.42 -0.85 0.00 0.00 174.74 175.11 3khd s ILE 50 N -1.74 2.96 -0.27 0.60 1.01 -1.26 -1.00 121.20 121.50 3khd s ILE 50 Ca 0.34 -0.69 -0.11 0.00 0.00 0.00 0.00 60.65 60.19 3khd s ILE 50 Cb -0.11 -2.24 -0.05 0.00 0.01 0.00 0.00 42.46 40.07 3khd s ILE 50 CO 0.28 0.53 0.18 -0.69 0.00 0.00 0.00 174.94 175.23 3khd s VAL 51 N 0.38 5.31 -0.18 2.92 1.01 0.33 -1.18 120.40 128.99 3khd s VAL 51 Ca -0.11 0.17 -0.05 0.00 0.00 0.00 0.00 61.98 61.99 3khd s VAL 51 Cb -0.16 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 3khd s VAL 51 CO 0.06 0.28 -0.01 0.00 0.00 0.00 0.00 175.10 175.43 3khd s THR 53 N 0.66 4.52 0.29 0.00 2.01 -0.66 -0.13 115.64 122.32 3khd s THR 53 Ca -0.01 1.81 -0.14 0.00 0.31 0.00 0.00 61.69 63.67 3khd s THR 53 Cb -0.14 -4.17 -0.08 0.00 0.01 0.00 0.00 72.50 68.12 3khd s THR 53 CO 0.02 -0.02 0.69 -0.76 -0.69 0.00 0.00 174.62 173.86 3khd s LEU 54 N 2.24 4.12 0.00 4.42 1.43 -0.58 -2.81 118.68 127.51 3khd s LEU 54 Ca 0.52 1.21 -0.00 0.00 -1.03 0.00 0.00 54.13 54.82 3khd s LEU 54 Cb -0.21 -3.92 0.00 0.00 0.03 0.00 0.00 46.19 42.09 3khd s LEU 54 CO 0.19 -0.14 0.01 0.61 0.23 0.00 0.00 176.35 177.24 3khd n GLY 55 N -0.17 0.68 0.37 -3.19 0.00 -1.26 -4.74 105.19 96.88 3khd n GLY 55 Ca 0.02 -0.84 0.10 0.00 0.00 0.00 0.00 46.02 45.30 3khd n GLY 55 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3khd h PRO 56 N 0.00 0.76 0.00 1.61 0.11 -1.83 -1.98 132.00 130.67 3khd h PRO 56 Ca -0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3khd h PRO 56 Cb 0.01 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 30.95 3khd h PRO 56 CO 0.00 0.50 0.00 0.00 -0.21 0.00 0.00 178.00 178.29 3khd h ALA 57 N 1.58 1.00 -0.04 -0.75 0.00 -1.23 -3.01 119.26 116.82 3khd h ALA 57 Ca 0.43 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.20 3khd h ALA 57 Cb 0.57 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.08 3khd h ALA 57 CO -0.20 0.00 -0.89 0.00 0.00 0.00 0.00 179.25 178.17 3khd h LYS 59 N 1.11 0.32 -6.96 0.00 1.79 -1.30 -3.39 116.57 108.14 3khd h LYS 59 Ca -0.15 -0.16 -0.47 0.00 -2.18 0.00 0.00 60.65 57.70 3khd h LYS 59 Cb 1.60 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.26 3khd h LYS 59 CO 0.09 0.68 0.38 -1.54 -1.08 0.00 0.00 179.45 177.99 3khd s SER 60 N -6.87 6.92 0.32 0.86 1.04 -1.26 -4.91 113.70 109.80 3khd s SER 60 Ca -0.05 1.93 0.03 0.00 0.48 0.00 0.00 55.95 58.33 3khd s SER 60 Cb 0.13 -2.58 0.62 0.00 0.10 0.00 0.00 66.02 64.29 3khd s SER 60 CO 0.79 -0.37 1.92 0.58 0.98 0.00 0.00 173.24 177.13 3khd h VAL 61 N 2.23 1.03 -0.64 5.02 2.07 -1.88 -1.96 116.25 122.12 3khd h VAL 61 Ca -0.48 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 3khd h VAL 61 Cb 1.20 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 3khd h VAL 61 CO 0.63 0.17 0.36 -0.33 0.02 0.00 0.00 177.57 178.42 3khd h GLU 62 N 0.92 0.88 -0.04 1.57 3.07 -1.94 -1.41 114.58 117.63 3khd h GLU 62 Ca 0.37 -0.09 -0.01 0.00 -0.50 0.00 0.00 59.36 59.13 3khd h GLU 62 Cb 0.27 -0.18 -0.00 0.00 -0.84 0.00 0.00 28.75 28.00 3khd h GLU 62 CO -0.14 0.65 -0.01 1.15 -1.40 0.00 0.00 179.01 179.26 3khd h THR 63 N 0.87 1.31 -0.83 1.13 2.02 -1.76 -2.27 112.91 113.38 3khd h THR 63 Ca 0.23 -0.95 0.18 0.00 0.77 0.00 0.00 66.41 66.64 3khd h THR 63 Cb 0.02 1.86 -0.11 0.00 -1.74 0.00 0.00 68.15 68.18 3khd h THR 63 CO -0.04 0.26 0.33 -0.07 0.37 0.00 0.00 175.52 176.36 3khd h LEU 64 N -0.28 0.26 -0.61 2.58 4.07 -1.29 0.17 115.31 120.21 3khd h LEU 64 Ca 0.01 0.14 -0.05 0.00 0.08 0.00 0.00 57.88 58.05 3khd h LEU 64 Cb 0.42 0.13 -0.03 0.00 1.08 0.00 0.00 40.66 42.26 3khd h LEU 64 CO 0.00 0.03 0.17 0.58 -1.08 0.00 0.00 178.44 178.15 3khd h VAL 65 N 0.40 1.25 -0.33 1.22 2.07 -1.19 -1.54 116.25 118.13 3khd h VAL 65 Ca 0.49 -0.87 -0.06 0.00 0.82 0.00 0.00 66.70 67.07 3khd h VAL 65 Cb 0.85 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3khd h VAL 65 CO -0.48 0.33 -0.05 0.11 0.02 0.00 0.00 177.57 177.49 3khd h LYS 66 N 0.88 0.53 -0.30 1.57 1.57 -0.41 -1.78 116.57 118.63 3khd h LYS 66 Ca 0.19 -0.13 -0.12 0.00 -1.87 0.00 0.00 60.65 58.73 3khd h LYS 66 Cb 0.32 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3khd h LYS 66 CO -0.00 0.60 -0.30 -0.07 -0.57 0.00 0.00 179.45 179.11 3khd h LEU 67 N 0.50 0.65 0.14 2.94 3.38 -0.51 -1.25 115.31 121.16 3khd h LEU 67 Ca 0.10 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3khd h LEU 67 Cb 0.41 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3khd h LEU 67 CO 0.02 0.91 -0.09 0.40 0.09 0.00 0.00 178.44 179.77 3khd h ILE 68 N 0.54 0.80 -0.25 1.22 2.04 -0.74 -0.92 117.51 120.21 3khd h ILE 68 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.93 3khd h ILE 68 Cb 0.78 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 3khd h ILE 68 CO 0.06 0.00 0.16 0.44 0.00 0.00 0.00 178.15 178.82 3khd h ASP 69 N -0.23 0.27 1.43 1.72 3.45 -1.24 -1.28 116.42 120.54 3khd h ASP 69 Ca -0.01 -0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.44 3khd h ASP 69 Cb 0.20 -0.07 0.00 0.00 -0.56 0.00 0.00 39.33 38.90 3khd h ASP 69 CO 0.01 0.20 0.00 0.00 -1.57 0.00 0.00 179.24 177.87 3khd h ALA 70 N 1.85 1.00 0.00 3.45 0.00 -0.73 -3.42 119.26 121.40 3khd h ALA 70 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3khd h ALA 70 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3khd h ALA 70 CO -0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.64 3khd n GLY 71 N 0.62 1.99 3.74 0.00 0.00 -0.46 -4.28 105.19 106.81 3khd n GLY 71 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3khd n GLY 71 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3khd s MET 72 N -0.14 4.47 0.00 1.61 0.00 -0.55 -4.19 119.30 120.50 3khd s MET 72 Ca 0.00 1.95 0.00 0.00 0.00 0.00 0.00 55.69 57.64 3khd s MET 72 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 34.83 31.63 3khd s MET 72 CO 0.00 -0.09 0.00 -0.25 0.00 0.00 0.00 175.02 174.68 3khd n ASP 73 N 2.11 3.13 -4.36 1.11 8.00 -0.32 -4.77 116.55 121.45 3khd n ASP 73 Ca 0.03 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.21 3khd n ASP 73 Cb 0.44 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.39 3khd n ASP 73 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3khd s ILE 74 N -1.91 2.53 -0.22 0.53 -1.09 -0.47 -1.41 121.20 119.16 3khd s ILE 74 Ca 0.00 -0.90 -0.11 0.00 -2.23 0.00 0.00 60.65 57.41 3khd s ILE 74 Cb 0.00 -1.96 -0.05 0.00 -1.58 0.00 0.00 42.46 38.87 3khd s ILE 74 CO 0.00 0.57 0.19 0.00 -1.23 0.00 0.00 174.94 174.47 3khd s ARG 76 N 0.83 4.03 -0.35 0.00 3.52 0.82 -0.92 118.95 126.88 3khd s ARG 76 Ca 0.09 -0.30 -0.10 0.00 -0.13 0.00 0.00 55.73 55.29 3khd s ARG 76 Cb -0.13 -3.39 0.02 0.00 -1.56 0.00 0.00 34.95 29.89 3khd s ARG 76 CO 0.03 0.15 0.17 -0.06 -0.81 0.00 0.00 175.30 174.79 3khd s PHE 77 N 0.75 3.22 -0.53 5.12 0.40 0.62 -1.53 117.98 126.02 3khd s PHE 77 Ca 0.06 -0.88 -0.23 0.00 -0.60 0.00 0.00 56.93 55.28 3khd s PHE 77 Cb -0.13 -2.39 0.04 0.00 0.51 0.00 0.00 43.02 41.06 3khd s PHE 77 CO 0.02 -0.59 0.87 1.21 0.70 0.00 0.00 175.22 177.42 3khd s ASN 78 N 1.56 6.33 -0.08 1.36 3.84 -1.26 -0.89 114.94 125.80 3khd s ASN 78 Ca 0.03 -0.43 0.11 0.00 0.21 0.00 0.00 52.86 52.77 3khd s ASN 78 Cb -0.18 -2.40 0.44 0.00 -0.55 0.00 0.00 41.25 38.55 3khd s ASN 78 CO 0.06 -1.13 1.28 0.49 -2.79 0.00 0.00 177.10 175.00 3khd n PHE 79 N 7.15 0.94 0.27 0.43 3.01 -1.04 -3.76 117.46 124.46 3khd n PHE 79 Ca 0.00 -0.37 0.16 0.00 1.01 0.00 0.00 57.45 58.26 3khd n PHE 79 Cb 0.47 -0.19 0.67 0.00 -0.01 0.00 0.00 39.48 40.43 3khd n PHE 79 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3khd h SER 80 N 2.47 0.00 -5.06 4.37 0.02 -1.89 -3.43 113.55 110.03 3khd h SER 80 Ca 0.00 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 3khd h SER 80 Cb 1.02 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.40 3khd h SER 80 CO 0.16 0.05 -0.16 -1.38 -1.14 0.00 0.00 176.83 174.36 3khd s HIS 81 N -3.72 -0.18 0.00 3.45 0.00 -1.25 -5.06 115.29 108.54 3khd s HIS 81 Ca 0.01 0.04 0.00 0.00 -3.00 0.00 0.00 55.06 52.11 3khd s HIS 81 Cb 0.10 0.17 0.00 0.00 -4.00 0.00 0.00 32.58 28.85 3khd s HIS 81 CO 0.56 -0.57 0.00 0.41 -1.00 0.00 0.00 174.74 174.14 3khd n GLY 82 N 0.37 2.38 3.79 -1.38 0.00 -1.26 -4.89 105.19 104.20 3khd n GLY 82 Ca -0.18 -1.66 -0.29 0.00 0.00 0.00 0.00 46.02 43.89 3khd n GLY 82 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3khd s SER 83 N 0.00 3.93 0.30 1.61 0.15 -1.26 -4.94 113.70 113.49 3khd s SER 83 Ca 0.00 1.11 0.02 0.00 0.70 0.00 0.00 55.95 57.78 3khd s SER 83 Cb 0.00 -1.75 0.47 0.00 -1.71 0.00 0.00 66.02 63.03 3khd s SER 83 CO 0.00 -2.30 1.80 0.45 1.20 0.00 0.00 173.24 174.39 3khd h HIS 84 N -1.32 0.63 -0.48 3.44 -0.00 -1.99 -2.81 115.15 112.62 3khd h HIS 84 Ca -0.49 -0.09 -0.08 0.00 -0.00 0.00 0.00 60.37 59.71 3khd h HIS 84 Cb 1.31 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 28.53 3khd h HIS 84 CO 0.37 0.65 -0.02 0.93 -0.00 0.00 0.00 177.93 179.86 3khd h GLU 85 N 0.55 0.86 -0.38 2.45 3.07 -1.98 0.83 114.58 119.98 3khd h GLU 85 Ca 0.11 -0.28 -0.02 0.00 -0.50 0.00 0.00 59.36 58.67 3khd h GLU 85 Cb 0.45 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 3khd h GLU 85 CO 0.02 0.91 0.17 -0.44 -1.40 0.00 0.00 179.01 178.28 3khd h ASP 86 N 0.72 0.50 0.27 1.42 3.32 -1.93 -1.73 116.42 119.00 3khd h ASP 86 Ca 0.13 -0.14 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 3khd h ASP 86 Cb 0.53 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 3khd h ASP 86 CO 0.03 0.50 -0.43 0.45 -1.72 0.00 0.00 179.24 178.07 3khd h HIS 87 N 0.47 0.24 -0.71 4.55 3.86 -1.41 -2.12 115.15 120.03 3khd h HIS 87 Ca 0.13 -0.07 -0.04 0.00 -1.16 0.00 0.00 60.37 59.24 3khd h HIS 87 Cb 0.14 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.52 3khd h HIS 87 CO -0.01 0.60 0.30 0.87 0.86 0.00 0.00 177.93 180.55 3khd h LYS 88 N 0.17 1.05 -0.54 2.45 6.56 -0.58 0.21 116.57 125.89 3khd h LYS 88 Ca 0.01 -0.18 -0.11 0.00 -1.06 0.00 0.00 60.65 59.31 3khd h LYS 88 Cb 0.83 -0.18 -0.02 0.00 -0.57 0.00 0.00 32.23 32.29 3khd h LYS 88 CO 0.06 0.85 -0.10 1.05 -2.06 0.00 0.00 179.45 179.26 3khd h GLU 89 N 1.01 1.01 -0.54 3.15 4.11 -1.16 -2.35 114.58 119.82 3khd h GLU 89 Ca 0.24 -0.37 -0.03 0.00 0.07 0.00 0.00 59.36 59.27 3khd h GLU 89 Cb 0.18 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3khd h GLU 89 CO -0.02 1.05 0.20 1.98 0.07 0.00 0.00 179.01 182.29 3khd h MET 90 N 0.90 0.81 -0.25 1.06 -1.53 -1.05 -2.35 114.93 112.52 3khd h MET 90 Ca 0.14 -0.15 -0.04 0.00 -3.44 0.00 0.00 59.70 56.21 3khd h MET 90 Cb 0.66 -0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 31.57 3khd h MET 90 CO 0.05 0.72 0.00 0.35 0.14 0.00 0.00 176.91 178.16 3khd h PHE 91 N 0.73 0.38 0.07 1.39 3.57 -0.41 -2.51 116.94 120.16 3khd h PHE 91 Ca 0.18 -0.03 -0.25 0.00 3.53 0.00 0.00 57.97 61.40 3khd h PHE 91 Cb 0.22 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.85 3khd h PHE 91 CO 0.01 0.39 -1.09 -0.91 -2.23 0.00 0.00 178.31 174.48 3khd h ASN 92 N 0.37 0.46 -0.00 0.41 2.35 -1.31 -2.77 115.58 115.08 3khd h ASN 92 Ca 0.08 -0.43 -0.09 0.00 -0.55 0.00 0.00 56.30 55.32 3khd h ASN 92 Cb 0.25 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 3khd h ASN 92 CO 0.01 1.28 -0.24 0.78 -1.65 0.00 0.00 177.43 177.60 3khd h ASN 93 N 0.14 0.40 0.56 5.81 2.35 -1.10 0.10 115.58 123.84 3khd h ASN 93 Ca -0.11 -0.13 -0.18 0.00 -0.55 0.00 0.00 56.30 55.33 3khd h ASN 93 Cb 1.77 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 40.02 3khd h ASN 93 CO 0.18 0.65 -0.80 1.62 -1.65 0.00 0.00 177.43 177.43 3khd h VAL 94 N 0.36 1.48 -0.55 2.81 3.04 -1.54 -1.62 116.25 120.23 3khd h VAL 94 Ca 0.06 -2.48 -0.06 0.00 -1.01 0.00 0.00 66.70 63.21 3khd h VAL 94 Cb 0.63 2.36 -0.02 0.00 -2.01 0.00 0.00 31.29 32.24 3khd h VAL 94 CO 0.04 0.72 0.10 -0.07 -1.01 0.00 0.00 177.57 177.36 3khd h LEU 95 N 0.11 0.81 -0.48 3.16 4.07 -1.11 0.63 115.31 122.50 3khd h LEU 95 Ca -0.03 -0.16 -0.13 0.00 0.08 0.00 0.00 57.88 57.64 3khd h LEU 95 Cb 1.40 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.92 3khd h LEU 95 CO 0.12 0.82 -0.21 0.11 -1.08 0.00 0.00 178.44 178.20 3khd h LYS 96 N 0.82 0.99 -0.65 1.13 1.57 -0.74 -2.71 116.57 116.98 3khd h LYS 96 Ca 0.17 -0.42 0.02 0.00 -1.87 0.00 0.00 60.65 58.55 3khd h LYS 96 Cb 0.35 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 3khd h LYS 96 CO 0.00 1.10 0.42 0.00 -0.57 0.00 0.00 179.45 180.40 3khd h ALA 97 N 0.86 0.84 -0.94 3.86 0.00 -0.96 -2.63 119.26 120.29 3khd h ALA 97 Ca 0.11 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.08 3khd h ALA 97 Cb 0.79 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 3khd h ALA 97 CO 0.07 0.20 0.60 0.37 0.00 0.00 0.00 179.25 180.49 3khd h GLN 98 N 0.83 0.96 0.00 0.00 5.75 -0.74 -1.15 115.11 120.76 3khd h GLN 98 Ca 0.25 -0.06 -0.09 0.00 -0.15 0.00 0.00 58.65 58.61 3khd h GLN 98 Cb -0.04 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.28 3khd h GLN 98 CO -0.08 0.64 -0.41 0.93 -2.65 0.00 0.00 178.83 177.25 3khd h GLU 99 N 0.99 0.00 0.00 1.69 5.08 -1.15 -2.43 114.58 118.75 3khd h GLU 99 Ca 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 3khd h GLU 99 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3khd h GLU 99 CO -0.18 0.41 -0.03 -0.07 -1.00 0.00 0.00 179.01 178.14 3khd h LEU 100 N 0.00 0.00 -6.18 1.33 3.38 -1.03 -3.38 115.31 109.44 3khd h LEU 100 Ca -0.00 -0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.38 3khd h LEU 100 Cb 0.78 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.12 3khd h LEU 100 CO 0.05 0.00 -0.83 0.54 0.09 0.00 0.00 178.44 178.29 3khd n ARG 101 N -2.94 1.57 0.25 1.13 5.12 -0.68 -4.97 116.66 116.14 3khd n ARG 101 Ca 0.04 -3.95 0.17 0.00 -1.93 0.00 0.00 57.85 52.18 3khd n ARG 101 Cb 0.51 -1.78 0.81 0.00 -1.16 0.00 0.00 32.46 30.84 3khd n ARG 101 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3khd h PRO 102 N 4.27 0.00 0.00 5.56 0.13 -1.71 -0.77 132.00 139.47 3khd h PRO 102 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3khd h PRO 102 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3khd h PRO 102 CO 0.64 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.50 3khd n ASN 103 N -2.79 0.00 -4.02 1.44 4.13 -1.26 -4.72 115.26 108.04 3khd n ASN 103 Ca -0.01 -0.61 -0.30 0.00 1.68 0.00 0.00 54.58 55.34 3khd n ASN 103 Cb 0.17 -0.05 -0.16 0.00 -1.54 0.00 0.00 39.78 38.20 3khd n ASN 103 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3khd s LEU 105 N 1.49 4.67 0.01 0.00 1.43 -1.26 -4.91 118.68 120.10 3khd s LEU 105 Ca 0.05 -1.81 -0.20 0.00 -1.03 0.00 0.00 54.13 51.14 3khd s LEU 105 Cb -0.13 -1.74 -0.06 0.00 0.03 0.00 0.00 46.19 44.30 3khd s LEU 105 CO -0.11 -0.41 0.57 -0.76 0.23 0.00 0.00 176.35 175.87 3khd s LEU 106 N 1.12 4.44 0.33 1.79 1.43 -1.26 -4.80 118.68 121.72 3khd s LEU 106 Ca 0.04 1.15 -0.23 0.00 -1.03 0.00 0.00 54.13 54.05 3khd s LEU 106 Cb -0.21 -2.88 -0.10 0.00 0.03 0.00 0.00 46.19 43.04 3khd s LEU 106 CO -0.04 0.15 0.90 -0.83 0.23 0.00 0.00 176.35 176.76 3khd s GLY 107 N -0.42 2.67 -0.20 -3.19 0.00 -0.50 -4.90 107.32 100.78 3khd s GLY 107 Ca 0.30 0.41 -0.02 0.00 0.00 0.00 0.00 44.72 45.41 3khd s GLY 107 CO 0.17 0.80 -0.11 1.06 0.00 0.00 0.00 173.10 175.02 3khd s MET 108 N -2.31 3.22 -0.11 2.90 1.00 -1.26 -0.71 119.30 122.04 3khd s MET 108 Ca 0.51 -0.71 0.02 0.00 0.00 0.00 0.00 55.69 55.51 3khd s MET 108 Cb -0.16 -2.81 -0.01 0.00 0.00 0.00 0.00 34.83 31.85 3khd s MET 108 CO 0.21 -0.17 -0.16 -1.17 0.00 0.00 0.00 175.02 173.72 3khd s LEU 109 N 1.33 2.57 -0.16 -0.03 0.20 -0.10 -0.29 118.68 122.19 3khd s LEU 109 Ca 0.04 -0.36 -0.05 0.00 0.69 0.00 0.00 54.13 54.45 3khd s LEU 109 Cb -0.14 -1.55 -0.03 0.00 -0.43 0.00 0.00 46.19 44.04 3khd s LEU 109 CO -0.06 0.20 0.01 -0.22 -0.29 0.00 0.00 176.35 175.98 3khd s LEU 110 N 0.13 3.51 -0.27 -0.68 0.20 -0.03 -0.28 118.68 121.26 3khd s LEU 110 Ca -0.08 -0.02 -0.09 0.00 0.69 0.00 0.00 54.13 54.63 3khd s LEU 110 Cb -0.15 -1.86 -0.03 0.00 -0.43 0.00 0.00 46.19 43.72 3khd s LEU 110 CO 0.05 0.19 0.11 -0.62 -0.29 0.00 0.00 176.35 175.79 3khd s ASP 111 N 0.25 5.40 0.50 3.68 -1.08 -0.07 -0.50 116.67 124.86 3khd s ASP 111 Ca 0.00 -0.27 -0.19 0.00 -0.52 0.00 0.00 52.55 51.58 3khd s ASP 111 Cb -0.13 -1.98 -0.08 0.00 -1.46 0.00 0.00 42.92 39.27 3khd s ASP 111 CO 0.02 -0.08 1.00 0.42 0.52 0.00 0.00 175.17 177.05 3khd s THR 112 N 1.64 4.16 -0.01 1.71 -4.23 -0.83 -2.51 115.64 115.56 3khd s THR 112 Ca 0.06 1.20 -0.24 0.00 -1.18 0.00 0.00 61.69 61.53 3khd s THR 112 Cb -0.16 -3.55 -0.17 0.00 1.34 0.00 0.00 72.50 69.96 3khd s THR 112 CO 0.06 -0.44 1.13 0.50 -0.54 0.00 0.00 174.62 175.33 3khd h LYS 113 N 1.27 -0.29 0.00 3.99 3.64 -1.91 -3.39 116.57 119.87 3khd h LYS 113 Ca -0.48 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 58.99 3khd h LYS 113 Cb 1.20 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 3khd h LYS 113 CO 0.60 0.07 -0.09 0.41 -2.27 0.00 0.00 179.45 178.17 3khd n GLY 114 N 0.02 -1.87 3.77 5.01 0.00 -1.26 -4.82 105.19 106.04 3khd n GLY 114 Ca -0.09 -1.32 -0.38 0.00 0.00 0.00 0.00 46.02 44.23 3khd n GLY 114 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3khd s PRO 115 N -0.68 3.82 0.03 1.61 0.02 -1.26 -4.93 135.00 133.61 3khd s PRO 115 Ca 0.00 1.99 0.02 0.00 0.02 0.00 0.00 61.00 63.03 3khd s PRO 115 Cb 0.00 -2.58 -0.02 0.00 0.02 0.00 0.00 34.50 31.92 3khd s PRO 115 CO 0.00 -0.56 -0.06 -1.21 -0.33 0.00 0.00 177.00 174.84 3khd s GLU 116 N -2.46 0.45 -0.10 5.54 2.02 -1.26 -4.98 118.70 117.91 3khd s GLU 116 Ca 0.61 -0.60 0.02 0.00 0.02 0.00 0.00 54.97 55.02 3khd s GLU 116 Cb -0.34 -0.23 0.01 0.00 0.10 0.00 0.00 34.13 33.67 3khd s GLU 116 CO 0.43 0.04 -0.14 0.42 0.02 0.00 0.00 175.26 176.02 3khd s ILE 117 N -1.11 1.43 0.11 -1.63 1.01 -1.26 -4.87 121.20 114.88 3khd s ILE 117 Ca -0.08 -0.61 0.05 0.00 0.00 0.00 0.00 60.65 60.01 3khd s ILE 117 Cb -0.08 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 3khd s ILE 117 CO 0.00 0.43 -0.12 -0.13 0.00 0.00 0.00 174.94 175.12 3khd s ARG 118 N 0.99 0.94 0.88 2.79 0.52 -1.26 -0.36 118.95 123.45 3khd s ARG 118 Ca -0.07 -1.19 -0.12 0.00 -0.52 0.00 0.00 55.73 53.83 3khd s ARG 118 Cb -0.15 -0.74 0.12 0.00 0.52 0.00 0.00 34.95 34.71 3khd s ARG 118 CO -0.01 0.13 1.11 0.95 0.02 0.00 0.00 175.30 177.49 3khd s THR 119 N -2.24 2.53 0.00 0.02 -4.23 -0.07 -1.07 115.64 110.58 3khd s THR 119 Ca 0.07 0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.75 3khd s THR 119 Cb -0.04 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 70.98 3khd s THR 119 CO 0.02 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 3khd n GLY 120 N -1.74 0.38 3.87 3.99 0.00 0.26 -3.82 105.19 108.12 3khd n GLY 120 Ca 0.07 -1.86 -0.31 0.00 0.00 0.00 0.00 46.02 43.91 3khd n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3khd s PHE 121 N 0.29 3.47 0.05 1.61 0.40 -1.26 -2.55 117.98 120.00 3khd s PHE 121 Ca 0.00 1.15 0.09 0.00 -0.60 0.00 0.00 56.93 57.57 3khd s PHE 121 Cb 0.00 -2.53 -0.03 0.00 0.51 0.00 0.00 43.02 40.96 3khd s PHE 121 CO 0.00 -0.19 -0.24 -0.51 0.70 0.00 0.00 175.22 174.98 3khd s LEU 122 N -3.95 2.33 0.30 -0.37 1.43 -1.26 -0.49 118.68 116.67 3khd s LEU 122 Ca 0.53 -0.56 0.03 0.00 -1.03 0.00 0.00 54.13 53.11 3khd s LEU 122 Cb -0.10 -1.36 0.63 0.00 0.03 0.00 0.00 46.19 45.39 3khd s LEU 122 CO 0.32 0.25 1.84 0.07 0.23 0.00 0.00 176.35 179.05 3khd h LYS 123 N 4.59 0.88 -0.13 1.70 5.09 -0.77 -1.96 116.57 125.98 3khd h LYS 123 Ca -0.47 -0.05 -0.04 0.00 0.09 0.00 0.00 60.65 60.18 3khd h LYS 123 Cb 1.15 -0.20 -0.02 0.00 0.10 0.00 0.00 32.23 33.26 3khd h LYS 123 CO 0.44 0.59 -0.11 0.09 -2.09 0.00 0.00 179.45 178.37 3khd n ASN 124 N -4.62 2.62 0.00 7.07 3.02 -1.26 -4.97 115.26 117.12 3khd n ASN 124 Ca 0.19 -3.37 0.00 0.00 -0.03 0.00 0.00 54.58 51.37 3khd n ASN 124 Cb 0.40 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 3khd n ASN 124 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3khd n LYS 125 N -1.09 0.00 -3.76 3.52 5.02 -0.74 -4.85 118.16 116.26 3khd n LYS 125 Ca 0.21 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.37 3khd n LYS 125 Cb 0.79 -3.67 -0.11 0.00 -0.02 0.00 0.00 35.03 32.02 3khd n LYS 125 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3khd s GLU 126 N 0.00 0.39 0.07 1.97 2.02 -1.26 -3.29 118.70 118.60 3khd s GLU 126 Ca 0.00 0.46 0.05 0.00 0.02 0.00 0.00 54.97 55.50 3khd s GLU 126 Cb 0.00 0.19 -0.03 0.00 0.10 0.00 0.00 34.13 34.39 3khd s GLU 126 CO 0.00 -0.05 -0.13 0.14 0.02 0.00 0.00 175.26 175.24 3khd s VAL 127 N 0.18 1.07 -0.55 2.63 -7.23 -0.96 -4.93 120.40 110.61 3khd s VAL 127 Ca -0.00 -1.33 -0.08 0.00 -1.81 0.00 0.00 61.98 58.76 3khd s VAL 127 Cb -0.02 -1.07 0.14 0.00 0.56 0.00 0.00 36.38 35.99 3khd s VAL 127 CO 0.00 -0.27 0.41 -1.38 -0.31 0.00 0.00 175.10 173.56 3khd s HIS 128 N -1.39 3.48 0.22 2.82 -3.43 -1.26 -1.57 115.29 114.15 3khd s HIS 128 Ca -0.02 -2.11 -0.30 0.00 -0.80 0.00 0.00 55.06 51.84 3khd s HIS 128 Cb -0.09 -3.46 -0.08 0.00 -1.43 0.00 0.00 32.58 27.51 3khd s HIS 128 CO 0.02 -0.96 1.04 -0.51 -2.00 0.00 0.00 174.74 172.33 3khd s LEU 129 N 0.89 4.55 0.14 5.38 1.43 -0.11 -4.94 118.68 126.01 3khd s LEU 129 Ca 0.10 2.07 0.11 0.00 -1.03 0.00 0.00 54.13 55.38 3khd s LEU 129 Cb -0.23 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.34 3khd s LEU 129 CO -0.03 -0.08 -0.25 -0.54 0.23 0.00 0.00 176.35 175.69 3khd s LYS 130 N -0.86 1.50 0.13 1.70 3.01 -1.26 -1.35 119.74 122.61 3khd s LYS 130 Ca 0.45 -1.35 -0.32 0.00 -1.01 0.00 0.00 55.97 53.75 3khd s LYS 130 Cb -0.29 -1.94 -0.10 0.00 -1.01 0.00 0.00 37.83 34.50 3khd s LYS 130 CO 0.35 0.45 1.55 0.93 0.51 0.00 0.00 175.35 179.14 3khd h GLU 131 N 3.72 -0.38 -0.11 1.68 5.08 -1.80 -2.18 114.58 120.59 3khd h GLU 131 Ca -0.50 0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 57.83 3khd h GLU 131 Cb 1.18 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 3khd h GLU 131 CO 0.42 -0.25 -0.18 0.78 -1.00 0.00 0.00 179.01 178.78 3khd h GLY 132 N -0.40 0.20 -3.29 -3.84 0.00 -1.96 -3.35 103.07 90.43 3khd h GLY 132 Ca 0.08 -0.13 -0.56 0.00 0.00 0.00 0.00 47.33 46.72 3khd h GLY 132 CO -0.59 0.12 0.43 -1.14 0.00 0.00 0.00 176.54 175.36 3khd n SER 133 N -4.25 2.18 -4.62 0.19 3.41 -0.82 -4.76 113.62 104.96 3khd n SER 133 Ca -0.01 1.02 -0.36 0.00 -0.26 0.00 0.00 58.87 59.26 3khd n SER 133 Cb 0.29 -1.49 -0.10 0.00 -0.26 0.00 0.00 64.21 62.65 3khd n SER 133 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3khd s LYS 134 N -2.46 3.98 -0.12 4.33 1.02 -1.26 -2.25 119.74 122.98 3khd s LYS 134 Ca 0.66 -0.33 -0.01 0.00 0.02 0.00 0.00 55.97 56.32 3khd s LYS 134 Cb -0.47 -3.40 -0.02 0.00 -0.52 0.00 0.00 37.83 33.41 3khd s LYS 134 CO 0.54 0.09 -0.10 -1.17 -0.92 0.00 0.00 175.35 173.79 3khd s LEU 135 N 0.92 2.93 -0.15 3.17 2.96 -0.08 -4.80 118.68 123.63 3khd s LEU 135 Ca 0.06 -0.21 -0.12 0.00 -0.22 0.00 0.00 54.13 53.64 3khd s LEU 135 Cb -0.13 -1.66 -0.05 0.00 0.50 0.00 0.00 46.19 44.85 3khd s LEU 135 CO 0.03 0.22 0.23 -0.75 -1.32 0.00 0.00 176.35 174.76 3khd s LYS 136 N 0.06 4.08 -0.27 1.98 2.20 0.38 -0.17 119.74 128.01 3khd s LYS 136 Ca -0.03 -0.01 -0.02 0.00 -0.36 0.00 0.00 55.97 55.55 3khd s LYS 136 Cb -0.14 -3.37 0.03 0.00 -1.51 0.00 0.00 37.83 32.84 3khd s LYS 136 CO 0.04 0.38 -0.04 -0.51 -0.36 0.00 0.00 175.35 174.86 3khd s LEU 137 N 0.08 3.43 0.18 5.43 1.43 -0.20 -0.60 118.68 128.42 3khd s LEU 137 Ca 0.14 -0.97 0.03 0.00 -1.03 0.00 0.00 54.13 52.31 3khd s LEU 137 Cb -0.13 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 3khd s LEU 137 CO 0.03 -0.17 0.29 0.68 0.23 0.00 0.00 176.35 177.41 3khd s VAL 138 N 1.32 5.24 -2.25 -1.59 -7.23 -0.51 -1.29 120.40 114.09 3khd s VAL 138 Ca -0.01 -0.80 0.26 0.00 -1.81 0.00 0.00 61.98 59.61 3khd s VAL 138 Cb -0.18 -3.74 0.32 0.00 0.56 0.00 0.00 36.38 33.34 3khd s VAL 138 CO -0.03 -0.16 1.52 0.35 -0.31 0.00 0.00 175.10 176.47 3khd n THR 139 N -0.78 0.00 -2.65 5.32 -2.24 -1.09 -0.00 114.28 112.83 3khd n THR 139 Ca -0.08 -0.25 -0.42 0.00 -2.27 0.00 0.00 64.05 61.04 3khd n THR 139 Cb 0.55 0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 69.47 3khd n THR 139 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3khd s ASP 140 N -2.24 6.40 0.00 3.42 2.15 -1.26 -4.82 116.67 120.31 3khd s ASP 140 Ca 0.29 -1.24 0.12 0.00 0.43 0.00 0.00 52.55 52.15 3khd s ASP 140 Cb 0.20 -2.52 0.67 0.00 -0.30 0.00 0.00 42.92 40.97 3khd s ASP 140 CO 0.43 -1.51 1.25 0.00 -0.17 0.00 0.00 175.17 175.17 3khd n TYR 141 N 8.48 0.00 1.22 -5.34 9.36 -1.26 -1.28 117.16 128.34 3khd n TYR 141 Ca 0.20 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.54 3khd n TYR 141 Cb 0.50 -0.17 0.31 0.00 -0.63 0.00 0.00 39.34 39.34 3khd n TYR 141 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 3khd n GLU 142 N -1.17 1.06 -2.56 2.98 4.71 -1.26 -4.77 120.64 119.63 3khd n GLU 142 Ca 0.07 -0.70 -0.43 0.00 -0.01 0.00 0.00 57.16 56.09 3khd n GLU 142 Cb 0.07 -1.49 -0.02 0.00 -1.01 0.00 0.00 31.44 29.00 3khd n GLU 142 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 3khd s PHE 143 N -2.42 3.13 -0.51 -0.32 5.36 -0.40 -4.98 117.98 117.83 3khd s PHE 143 Ca 0.25 1.27 -0.28 0.00 -0.96 0.00 0.00 56.93 57.21 3khd s PHE 143 Cb 0.19 -3.37 0.00 0.00 -0.34 0.00 0.00 43.02 39.50 3khd s PHE 143 CO 0.50 -1.01 1.57 -1.17 -1.46 0.00 0.00 175.22 173.66 3khd s LEU 144 N 3.32 3.42 0.68 6.12 0.20 -1.26 -4.47 118.68 126.70 3khd s LEU 144 Ca 0.49 0.54 -0.10 0.00 0.69 0.00 0.00 54.13 55.75 3khd s LEU 144 Cb -0.18 -3.09 0.02 0.00 -0.43 0.00 0.00 46.19 42.51 3khd s LEU 144 CO 0.10 -1.81 1.05 -0.83 -0.29 0.00 0.00 176.35 174.57 3khd s GLY 145 N 5.41 1.62 0.00 7.98 0.00 0.35 -4.65 107.32 118.04 3khd s GLY 145 Ca 0.61 -0.47 0.00 0.00 0.00 0.00 0.00 44.72 44.87 3khd s GLY 145 CO 0.27 -0.11 0.00 2.09 0.00 0.00 0.00 173.10 175.34 3khd n ASP 146 N -2.92 0.12 0.31 1.64 5.75 0.77 -0.10 116.55 122.13 3khd n ASP 146 Ca 0.06 -0.68 0.19 0.00 -0.01 0.00 0.00 54.79 54.35 3khd n ASP 146 Cb 0.58 0.00 1.02 0.00 -1.03 0.00 0.00 41.12 41.68 3khd n ASP 146 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 3khd h GLU 147 N 0.00 0.00 0.00 0.11 9.09 -1.95 -2.84 114.58 118.99 3khd h GLU 147 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3khd h GLU 147 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3khd h GLU 147 CO 0.00 0.02 -1.68 0.25 0.05 0.00 0.00 179.01 177.65 3khd n THR 148 N -3.27 0.00 -3.68 -1.06 -2.24 -1.26 -4.84 114.28 97.93 3khd n THR 148 Ca -0.02 -0.35 -0.13 0.00 -2.27 0.00 0.00 64.05 61.28 3khd n THR 148 Cb 0.14 0.18 -0.13 0.00 -2.10 0.00 0.00 70.33 68.42 3khd n THR 148 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3khd s ILE 150 N 2.13 0.50 0.49 0.00 1.01 0.24 -0.16 121.20 125.41 3khd s ILE 150 Ca -0.02 -0.27 -0.18 0.00 0.00 0.00 0.00 60.65 60.19 3khd s ILE 150 Cb -0.11 -0.43 -0.09 0.00 0.01 0.00 0.00 42.46 41.84 3khd s ILE 150 CO -0.09 0.15 0.98 0.00 0.00 0.00 0.00 174.94 175.97 3khd s ALA 151 N -0.11 3.05 -0.03 9.38 0.00 -1.26 -1.42 121.76 131.36 3khd s ALA 151 Ca 0.02 0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.26 3khd s ALA 151 Cb -0.03 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.96 3khd s ALA 151 CO -0.00 -0.15 -0.12 0.00 0.00 0.00 0.00 175.76 175.49 3khd h SER 153 N 6.34 0.00 -2.15 0.00 4.64 -1.41 -3.41 113.55 117.57 3khd h SER 153 Ca -0.33 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.38 3khd h SER 153 Cb 1.17 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.14 3khd h SER 153 CO 0.48 0.01 0.98 -0.47 -0.87 0.00 0.00 176.83 176.96 3khd s TYR 154 N -3.58 2.61 0.43 4.77 5.04 -1.26 -4.88 117.35 120.48 3khd s TYR 154 Ca 0.02 -0.64 0.12 0.00 -2.44 0.00 0.00 57.07 54.14 3khd s TYR 154 Cb 0.08 -4.49 0.98 0.00 0.35 0.00 0.00 41.96 38.89 3khd s TYR 154 CO 0.57 -1.81 2.00 -0.22 -1.34 0.00 0.00 175.55 174.75 3khd h LYS 155 N 9.62 0.44 -0.06 4.97 3.64 -1.88 -1.53 116.57 131.76 3khd h LYS 155 Ca -0.08 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3khd h LYS 155 Cb 1.04 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 3khd h LYS 155 CO 1.26 0.29 0.00 1.63 -2.27 0.00 0.00 179.45 180.36 3khd n LYS 156 N -4.47 1.12 -0.03 1.90 5.02 -1.26 -4.48 118.16 115.95 3khd n LYS 156 Ca 0.08 -0.18 -0.09 0.00 -2.02 0.00 0.00 58.31 56.11 3khd n LYS 156 Cb 0.30 -1.05 -0.02 0.00 -0.02 0.00 0.00 35.03 34.24 3khd n LYS 156 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3khd h LEU 157 N 0.29 -0.80 -1.64 -0.35 5.85 -1.68 -1.17 115.31 115.81 3khd h LEU 157 Ca 0.00 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 3khd h LEU 157 Cb 0.08 0.37 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3khd h LEU 157 CO 0.00 -0.29 0.05 -0.65 -0.34 0.00 0.00 178.44 177.21 3khd h PRO 158 N -0.28 0.27 -0.00 5.25 0.11 -1.85 -1.61 132.00 133.89 3khd h PRO 158 Ca 0.13 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3khd h PRO 158 Cb 0.47 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.53 3khd h PRO 158 CO -0.37 0.26 -0.32 0.00 -0.21 0.00 0.00 178.00 177.36 3khd n GLN 159 N -4.42 0.24 0.00 1.05 0.00 -1.00 -3.69 117.38 109.56 3khd n GLN 159 Ca -0.00 -0.11 0.11 0.00 0.00 0.00 0.00 57.00 57.00 3khd n GLN 159 Cb 0.14 -1.50 0.05 0.00 0.00 0.00 0.00 30.24 28.93 3khd n GLN 159 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 3khd n SER 160 N -1.28 2.53 -4.05 2.61 7.64 -0.48 -4.96 113.62 115.63 3khd n SER 160 Ca 0.08 -1.76 -0.18 0.00 1.01 0.00 0.00 58.87 58.02 3khd n SER 160 Cb 0.33 0.23 -0.14 0.00 -1.01 0.00 0.00 64.21 63.62 3khd n SER 160 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3khd s VAL 161 N -2.21 0.76 0.14 0.44 1.01 -0.87 -4.91 120.40 114.76 3khd s VAL 161 Ca 0.23 -0.58 0.07 0.00 0.00 0.00 0.00 61.98 61.69 3khd s VAL 161 Cb 0.19 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 3khd s VAL 161 CO 0.43 0.09 -0.15 -1.59 0.00 0.00 0.00 175.10 173.88 3khd s LYS 162 N -0.56 1.12 -0.08 2.72 0.00 -1.26 -4.86 119.74 116.81 3khd s LYS 162 Ca 0.01 -1.34 -0.38 0.00 0.00 0.00 0.00 55.97 54.27 3khd s LYS 162 Cb -0.05 -1.00 -0.16 0.00 0.00 0.00 0.00 37.83 36.62 3khd s LYS 162 CO 0.00 0.19 1.58 -2.30 0.00 0.00 0.00 175.35 174.82 3khd n PRO 163 N 0.31 1.31 0.00 1.78 -0.02 -1.26 -1.69 135.00 135.43 3khd n PRO 163 Ca -0.14 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 3khd n PRO 163 Cb 0.58 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 3khd n PRO 163 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3khd n GLY 164 N 3.49 1.75 3.74 -1.23 0.00 -1.02 -5.02 105.19 106.90 3khd n GLY 164 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 3khd n GLY 164 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3khd s ASN 165 N -1.10 4.15 -0.06 1.61 0.02 -0.68 -4.78 114.94 114.10 3khd s ASN 165 Ca 0.00 2.03 0.02 0.00 -1.02 0.00 0.00 52.86 53.88 3khd s ASN 165 Cb 0.00 -2.55 -0.03 0.00 0.02 0.00 0.00 41.25 38.69 3khd s ASN 165 CO 0.00 -2.28 -0.08 -0.63 0.02 0.00 0.00 177.10 174.13 3khd s ILE 166 N -2.60 3.56 -0.18 0.60 1.09 -1.26 -1.85 121.20 120.55 3khd s ILE 166 Ca 0.66 -0.56 0.01 0.00 -1.10 0.00 0.00 60.65 59.66 3khd s ILE 166 Cb -0.21 -2.45 0.02 0.00 -1.06 0.00 0.00 42.46 38.76 3khd s ILE 166 CO 0.52 0.58 -0.19 -0.63 -0.10 0.00 0.00 174.94 175.12 3khd s ILE 167 N -0.81 2.12 -0.14 2.92 1.01 0.36 -3.89 121.20 122.77 3khd s ILE 167 Ca 0.13 -0.93 -0.12 0.00 0.00 0.00 0.00 60.65 59.73 3khd s ILE 167 Cb -0.11 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 40.42 3khd s ILE 167 CO 0.02 0.53 0.26 -0.76 0.00 0.00 0.00 174.94 174.99 3khd s LEU 168 N 1.30 4.29 -0.01 2.97 1.43 -0.90 -0.81 118.68 126.95 3khd s LEU 168 Ca 0.05 0.52 0.07 0.00 -1.03 0.00 0.00 54.13 53.74 3khd s LEU 168 Cb -0.13 -2.32 -0.02 0.00 0.03 0.00 0.00 46.19 43.75 3khd s LEU 168 CO -0.13 0.18 -0.23 -0.63 0.23 0.00 0.00 176.35 175.77 3khd s ILE 169 N 0.06 2.30 -0.80 -0.59 1.01 -0.22 -1.74 121.20 121.22 3khd s ILE 169 Ca 0.16 -1.09 -0.01 0.00 0.00 0.00 0.00 60.65 59.71 3khd s ILE 169 Cb -0.13 -1.84 -0.01 0.00 0.01 0.00 0.00 42.46 40.49 3khd s ILE 169 CO 0.04 0.53 0.72 0.00 0.00 0.00 0.00 174.94 176.24 3khd n ALA 170 N 2.25 -2.53 -2.86 9.38 0.00 0.55 -2.23 120.51 125.08 3khd n ALA 170 Ca -0.16 -0.01 -0.19 0.00 0.00 0.00 0.00 53.44 53.07 3khd n ALA 170 Cb 0.51 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.92 3khd n ALA 170 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3khd n ASP 171 N -2.05 -4.63 -0.09 0.00 8.00 -1.24 -1.99 116.55 114.54 3khd n ASP 171 Ca -0.04 -0.13 -0.01 0.00 0.71 0.00 0.00 54.79 55.32 3khd n ASP 171 Cb 0.53 -3.84 -0.01 0.00 -0.02 0.00 0.00 41.12 37.79 3khd n ASP 171 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3khd n GLY 172 N -1.12 0.48 0.23 0.44 0.00 -1.20 -4.94 105.19 99.08 3khd n GLY 172 Ca -0.11 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 3khd n GLY 172 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3khd h SER 173 N 0.00 0.83 -3.49 1.61 0.02 -1.04 -3.44 113.55 108.04 3khd h SER 173 Ca -0.03 -0.46 -0.66 0.00 -0.84 0.00 0.00 61.79 59.80 3khd h SER 173 Cb 0.09 -0.23 -0.26 0.00 0.14 0.00 0.00 62.40 62.14 3khd h SER 173 CO 0.04 1.11 -0.76 -0.69 -1.14 0.00 0.00 176.83 175.39 3khd s VAL 174 N -4.41 3.11 -0.05 2.27 1.01 -0.95 -4.91 120.40 116.47 3khd s VAL 174 Ca -0.12 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.21 3khd s VAL 174 Cb 0.10 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 3khd s VAL 174 CO 0.84 0.54 -0.04 -0.44 0.00 0.00 0.00 175.10 176.00 3khd s SER 175 N 0.07 4.84 -0.05 3.32 0.01 -1.26 -1.05 113.70 119.57 3khd s SER 175 Ca -0.05 0.00 0.02 0.00 1.31 0.00 0.00 55.95 57.23 3khd s SER 175 Cb -0.14 -1.25 0.02 0.00 0.21 0.00 0.00 66.02 64.86 3khd s SER 175 CO 0.04 0.34 -0.08 0.00 0.41 0.00 0.00 173.24 173.95 3khd s LYS 177 N 0.75 4.15 0.07 0.00 2.20 -0.39 -0.48 119.74 126.05 3khd s LYS 177 Ca -0.13 -0.08 -0.31 0.00 -0.36 0.00 0.00 55.97 55.10 3khd s LYS 177 Cb -0.15 -3.50 -0.06 0.00 -1.51 0.00 0.00 37.83 32.61 3khd s LYS 177 CO 0.02 0.10 1.29 0.08 -0.36 0.00 0.00 175.35 176.48 3khd s VAL 178 N 0.92 3.73 -0.18 4.02 1.01 -0.77 -0.86 120.40 128.27 3khd s VAL 178 Ca 0.12 1.23 -0.03 0.00 0.00 0.00 0.00 61.98 63.30 3khd s VAL 178 Cb -0.13 -3.79 -0.10 0.00 0.00 0.00 0.00 36.38 32.35 3khd s VAL 178 CO 0.04 0.08 -0.20 0.18 0.00 0.00 0.00 175.10 175.21 3khd n LEU 179 N 4.09 2.29 -3.90 3.92 4.77 0.12 -2.42 117.00 125.87 3khd n LEU 179 Ca 0.10 0.04 -0.10 0.00 -0.03 0.00 0.00 56.01 56.02 3khd n LEU 179 Cb 0.45 -0.60 -0.10 0.00 -2.33 0.00 0.00 43.42 40.84 3khd n LEU 179 CO 0.57 0.63 -0.20 -1.61 -1.33 0.00 0.00 177.39 175.45 3khd s GLU 180 N -2.35 0.50 -0.02 3.23 2.02 -1.09 -4.76 118.70 116.21 3khd s GLU 180 Ca -0.25 -0.51 0.06 0.00 0.02 0.00 0.00 54.97 54.28 3khd s GLU 180 Cb 0.08 0.20 -0.01 0.00 0.10 0.00 0.00 34.13 34.50 3khd s GLU 180 CO 0.38 -0.12 -0.20 0.95 0.02 0.00 0.00 175.26 176.29 3khd s THR 181 N -1.73 1.61 0.23 3.63 -4.23 -1.26 -1.09 115.64 112.80 3khd s THR 181 Ca -0.12 -0.86 0.02 0.00 -1.18 0.00 0.00 61.69 59.55 3khd s THR 181 Cb -0.06 -1.35 -0.01 0.00 1.34 0.00 0.00 72.50 72.42 3khd s THR 181 CO -0.00 0.46 0.08 1.41 -0.54 0.00 0.00 174.62 176.02 3khd n HIS 182 N 2.71 0.08 -0.17 3.99 8.25 -0.55 -5.03 115.22 124.50 3khd n HIS 182 Ca -0.16 -1.45 -0.07 0.00 -0.26 0.00 0.00 57.72 55.78 3khd n HIS 182 Cb 0.53 -0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.66 3khd n HIS 182 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 3khd h GLU 183 N 0.00 0.64 0.00 -0.41 9.09 -2.01 -3.33 114.58 118.56 3khd h GLU 183 Ca -0.18 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.20 3khd h GLU 183 Cb 0.67 -0.15 0.00 0.00 -1.65 0.00 0.00 28.75 27.63 3khd h GLU 183 CO 0.28 0.43 0.00 -0.40 0.05 0.00 0.00 179.01 179.36 3khd n ASP 184 N -4.75 1.59 -3.79 3.06 5.75 -1.26 -4.86 116.55 112.29 3khd n ASP 184 Ca 0.02 -1.72 -0.06 0.00 -0.01 0.00 0.00 54.79 53.03 3khd n ASP 184 Cb 0.03 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.10 3khd n ASP 184 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 3khd s HIS 185 N -0.72 -0.16 0.08 2.11 -3.43 -1.25 -2.68 115.29 109.24 3khd s HIS 185 Ca 0.00 -0.26 0.05 0.00 -0.80 0.00 0.00 55.06 54.05 3khd s HIS 185 Cb 0.00 0.69 -0.03 0.00 -1.43 0.00 0.00 32.58 31.81 3khd s HIS 185 CO 0.00 -1.12 -0.14 0.54 -2.00 0.00 0.00 174.74 172.03 3khd s VAL 186 N -3.65 1.11 -0.15 -5.38 0.11 -0.41 -1.48 120.40 110.53 3khd s VAL 186 Ca 0.12 -1.39 0.01 0.00 -2.93 0.00 0.00 61.98 57.79 3khd s VAL 186 Cb -0.04 -1.15 0.01 0.00 -1.53 0.00 0.00 36.38 33.66 3khd s VAL 186 CO 0.06 -0.29 -0.19 -0.63 -3.33 0.00 0.00 175.10 170.72 3khd s ILE 187 N -1.51 2.32 0.35 7.04 1.01 -0.25 -1.03 121.20 129.13 3khd s ILE 187 Ca -0.00 -0.89 0.05 0.00 0.00 0.00 0.00 60.65 59.82 3khd s ILE 187 Cb -0.09 -1.96 -0.07 0.00 0.01 0.00 0.00 42.46 40.36 3khd s ILE 187 CO 0.02 0.53 0.04 0.42 0.00 0.00 0.00 174.94 175.95 3khd s THR 188 N 0.90 1.51 -0.09 2.92 -4.23 0.75 0.12 115.64 117.53 3khd s THR 188 Ca -0.04 -2.01 0.01 0.00 -1.18 0.00 0.00 61.69 58.47 3khd s THR 188 Cb -0.15 -2.86 0.02 0.00 1.34 0.00 0.00 72.50 70.85 3khd s THR 188 CO -0.03 -0.01 -0.12 -1.61 -0.54 0.00 0.00 174.62 172.31 3khd s GLU 189 N -3.82 1.85 -0.19 3.99 2.02 -0.04 -0.91 118.70 121.61 3khd s GLU 189 Ca 0.36 -0.43 -0.29 0.00 0.02 0.00 0.00 54.97 54.63 3khd s GLU 189 Cb 0.09 -1.63 -0.03 0.00 0.10 0.00 0.00 34.13 32.66 3khd s GLU 189 CO 0.16 -0.08 1.67 0.14 0.02 0.00 0.00 175.26 177.17 3khd s VAL 190 N 1.05 3.62 -0.16 2.63 -7.23 -0.95 -1.26 120.40 118.09 3khd s VAL 190 Ca -0.07 0.70 0.24 0.00 -1.81 0.00 0.00 61.98 61.05 3khd s VAL 190 Cb -0.15 -3.61 0.29 0.00 0.56 0.00 0.00 36.38 33.48 3khd s VAL 190 CO -0.01 -0.23 1.71 -0.07 -0.31 0.00 0.00 175.10 176.19 3khd h LEU 191 N 11.62 0.00 -7.71 1.32 3.38 -0.73 -3.39 115.31 119.80 3khd h LEU 191 Ca -0.35 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.48 3khd h LEU 191 Cb 1.16 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.72 3khd h LEU 191 CO 0.99 0.12 -0.44 0.54 0.09 0.00 0.00 178.44 179.74 3khd s ASN 192 N -6.12 -0.01 -0.06 -0.43 4.22 -1.26 -4.92 114.94 106.37 3khd s ASN 192 Ca 0.04 -0.19 -0.21 0.00 -2.14 0.00 0.00 52.86 50.36 3khd s ASN 192 Cb 0.07 0.23 -0.04 0.00 1.28 0.00 0.00 41.25 42.79 3khd s ASN 192 CO 0.65 -0.41 0.61 -0.94 -2.04 0.00 0.00 177.10 174.96 3khd s SER 193 N -1.50 6.91 0.08 3.54 1.04 -1.26 -4.54 113.70 117.97 3khd s SER 193 Ca -0.13 1.09 -0.26 0.00 0.48 0.00 0.00 55.95 57.13 3khd s SER 193 Cb -0.06 -2.37 0.08 0.00 0.10 0.00 0.00 66.02 63.77 3khd s SER 193 CO 0.01 -0.02 0.69 0.00 0.98 0.00 0.00 173.24 174.90 3khd s ALA 194 N 0.45 -1.69 -0.25 5.32 0.00 -0.46 -4.98 121.76 120.15 3khd s ALA 194 Ca 0.33 0.78 -0.09 0.00 0.00 0.00 0.00 51.96 52.98 3khd s ALA 194 Cb -0.17 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 3khd s ALA 194 CO 0.16 -0.67 0.12 0.54 0.00 0.00 0.00 175.76 175.91 3khd s VAL 195 N -3.10 4.81 0.19 0.00 0.11 -1.26 -0.94 120.40 120.20 3khd s VAL 195 Ca -0.00 -0.01 0.10 0.00 -2.93 0.00 0.00 61.98 59.15 3khd s VAL 195 Cb -0.01 -3.26 -0.04 0.00 -1.53 0.00 0.00 36.38 31.54 3khd s VAL 195 CO -0.08 0.32 -0.19 0.27 -3.33 0.00 0.00 175.10 172.09 3khd s ILE 196 N 1.53 2.65 0.00 7.04 -5.25 -0.61 -4.97 121.20 121.58 3khd s ILE 196 Ca 0.06 -1.89 0.00 0.00 -0.99 0.00 0.00 60.65 57.83 3khd s ILE 196 Cb -0.15 -2.28 0.00 0.00 2.95 0.00 0.00 42.46 42.98 3khd s ILE 196 CO 0.06 -0.11 0.00 0.61 -1.79 0.00 0.00 174.94 173.72 3khd n GLY 197 N 0.21 1.60 3.82 6.27 0.00 -1.26 -2.26 105.19 113.56 3khd n GLY 197 Ca -0.12 -2.08 -0.33 0.00 0.00 0.00 0.00 46.02 43.49 3khd n GLY 197 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3khd s GLU 198 N -1.92 4.19 -0.98 1.61 2.02 -1.21 -4.48 118.70 117.94 3khd s GLU 198 Ca 0.00 1.14 -0.12 0.00 0.02 0.00 0.00 54.97 56.01 3khd s GLU 198 Cb 0.00 -2.18 -0.00 0.00 0.10 0.00 0.00 34.13 32.05 3khd s GLU 198 CO 0.00 -0.06 0.73 0.54 0.02 0.00 0.00 175.26 176.49 3khd n ARG 199 N -0.66 -1.29 -4.35 1.61 1.74 -1.05 -4.99 116.66 107.67 3khd n ARG 199 Ca 0.07 0.73 -0.31 0.00 -0.77 0.00 0.00 57.85 57.57 3khd n ARG 199 Cb 0.54 -3.99 -0.10 0.00 -1.02 0.00 0.00 32.46 27.89 3khd n ARG 199 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3khd s LYS 200 N -5.15 2.50 0.52 5.56 -0.14 -1.26 -4.80 119.74 116.97 3khd s LYS 200 Ca 0.27 -0.78 -0.23 0.00 -1.36 0.00 0.00 55.97 53.87 3khd s LYS 200 Cb -0.10 -2.49 -0.06 0.00 -1.68 0.00 0.00 37.83 33.50 3khd s LYS 200 CO 0.85 0.58 1.33 0.09 -0.76 0.00 0.00 175.35 177.44 3khd n ASN 201 N 1.24 2.64 -4.25 2.83 3.02 -1.26 -0.89 115.26 118.59 3khd n ASN 201 Ca -0.14 1.01 -0.19 0.00 -0.03 0.00 0.00 54.58 55.23 3khd n ASN 201 Cb 0.52 -1.56 -0.11 0.00 -0.61 0.00 0.00 39.78 38.02 3khd n ASN 201 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3khd s MET 202 N -2.70 1.04 0.06 3.52 -1.94 0.51 -0.33 119.30 119.45 3khd s MET 202 Ca 0.69 -1.21 0.03 0.00 -1.71 0.00 0.00 55.69 53.48 3khd s MET 202 Cb -0.44 -1.00 -0.03 0.00 2.01 0.00 0.00 34.83 35.38 3khd s MET 202 CO 0.52 0.20 -0.09 -0.80 -0.01 0.00 0.00 175.02 174.84 3khd s ASN 203 N -2.33 1.09 -0.54 3.03 -0.87 -0.71 -4.55 114.94 110.06 3khd s ASN 203 Ca 0.08 -0.62 0.04 0.00 -1.57 0.00 0.00 52.86 50.79 3khd s ASN 203 Cb -0.06 0.02 0.16 0.00 -0.02 0.00 0.00 41.25 41.35 3khd s ASN 203 CO 0.03 -0.20 0.37 -0.76 -2.57 0.00 0.00 177.10 173.97 3khd s LEU 204 N -1.79 3.32 0.23 0.60 1.43 -1.26 -2.12 118.68 119.09 3khd s LEU 204 Ca -0.06 -3.25 -0.30 0.00 -1.03 0.00 0.00 54.13 49.49 3khd s LEU 204 Cb -0.08 -1.16 -0.15 0.00 0.03 0.00 0.00 46.19 44.82 3khd s LEU 204 CO 0.00 -0.17 0.92 -2.65 0.23 0.00 0.00 176.35 174.69 3khd n PRO 205 N 2.71 0.91 -1.36 1.29 -0.02 -1.25 -1.85 135.00 135.42 3khd n PRO 205 Ca 0.18 0.32 -0.12 0.00 -2.02 0.00 0.00 63.50 61.86 3khd n PRO 205 Cb 0.38 -1.63 -0.05 0.00 -0.02 0.00 0.00 33.50 32.18 3khd n PRO 205 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3khd n ASN 206 N 1.62 -5.40 -4.17 2.55 3.02 -1.26 -4.69 115.26 106.93 3khd n ASN 206 Ca 0.13 0.31 -0.32 0.00 -0.03 0.00 0.00 54.58 54.68 3khd n ASN 206 Cb 0.28 -4.00 -0.17 0.00 -0.61 0.00 0.00 39.78 35.28 3khd n ASN 206 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3khd s VAL 207 N -2.17 1.96 -0.45 2.41 1.01 -0.77 -5.02 120.40 117.36 3khd s VAL 207 Ca 0.00 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 60.76 3khd s VAL 207 Cb 0.00 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.67 3khd s VAL 207 CO 0.00 0.53 1.37 -0.75 0.00 0.00 0.00 175.10 176.25 3khd s LYS 208 N 0.63 3.54 -0.33 2.72 2.20 -1.26 -4.80 119.74 122.44 3khd s LYS 208 Ca -0.12 0.78 -0.29 0.00 -0.36 0.00 0.00 55.97 55.98 3khd s LYS 208 Cb -0.16 -4.03 -0.01 0.00 -1.51 0.00 0.00 37.83 32.12 3khd s LYS 208 CO 0.03 -1.61 1.69 0.08 -0.36 0.00 0.00 175.35 175.18 3khd s VAL 209 N 5.41 3.59 -1.22 4.02 1.01 -1.26 -4.92 120.40 127.03 3khd s VAL 209 Ca 0.57 0.61 -0.18 0.00 0.00 0.00 0.00 61.98 62.99 3khd s VAL 209 Cb -0.12 -3.76 0.09 0.00 0.00 0.00 0.00 36.38 32.59 3khd s VAL 209 CO 0.31 -0.46 1.61 -0.62 0.00 0.00 0.00 175.10 175.93 3khd s ASP 210 N 5.37 6.83 0.02 3.32 2.15 -1.26 -4.91 116.67 128.18 3khd s ASP 210 Ca 0.75 -2.39 -0.02 0.00 0.43 0.00 0.00 52.55 51.33 3khd s ASP 210 Cb -0.21 -2.53 -0.02 0.00 -0.30 0.00 0.00 42.92 39.86 3khd s ASP 210 CO 0.33 -1.13 0.00 -0.76 -0.17 0.00 0.00 175.17 173.44 3khd s LEU 211 N 3.74 2.13 0.26 -1.34 1.43 -1.26 -5.00 118.68 118.64 3khd s LEU 211 Ca 0.50 -0.50 -0.31 0.00 -1.03 0.00 0.00 54.13 52.79 3khd s LEU 211 Cb 0.02 0.22 -0.12 0.00 0.03 0.00 0.00 46.19 46.34 3khd s LEU 211 CO 0.03 -0.35 1.51 -2.65 0.23 0.00 0.00 176.35 175.12 3khd n PRO 212 N 1.42 2.38 0.04 1.29 -0.02 -1.26 -4.89 135.00 133.96 3khd n PRO 212 Ca -0.23 0.85 -0.01 0.00 -2.02 0.00 0.00 63.50 62.09 3khd n PRO 212 Cb 0.56 -2.57 0.28 0.00 -0.02 0.00 0.00 33.50 31.74 3khd n PRO 212 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3khd h ILE 213 N 3.23 1.22 -3.58 4.25 6.09 -1.95 -3.37 117.51 123.40 3khd h ILE 213 Ca -0.46 -1.01 -0.49 0.00 -1.37 0.00 0.00 64.86 61.54 3khd h ILE 213 Cb 1.25 1.20 -0.33 0.00 0.47 0.00 0.00 36.82 39.42 3khd h ILE 213 CO 0.78 0.32 -0.81 0.27 -3.07 0.00 0.00 178.15 175.65 3khd s ILE 214 N -4.68 1.01 0.74 2.19 -4.36 -1.26 -4.26 121.20 110.57 3khd s ILE 214 Ca -0.07 -0.43 -0.04 0.00 -0.26 0.00 0.00 60.65 59.85 3khd s ILE 214 Cb 0.15 -0.92 0.12 0.00 1.25 0.00 0.00 42.46 43.06 3khd s ILE 214 CO 0.77 0.32 1.02 -0.94 0.24 0.00 0.00 174.94 176.35 3khd s SER 215 N 0.51 4.31 0.39 4.36 1.04 -1.26 -4.86 113.70 118.18 3khd s SER 215 Ca -0.10 -0.13 0.08 0.00 0.48 0.00 0.00 55.95 56.28 3khd s SER 215 Cb -0.13 -0.28 0.84 0.00 0.10 0.00 0.00 66.02 66.55 3khd s SER 215 CO 0.02 -1.89 1.97 -0.33 0.98 0.00 0.00 173.24 174.00 3khd h GLU 216 N -0.65 0.61 -0.12 4.02 4.39 -2.00 0.16 114.58 120.99 3khd h GLU 216 Ca -0.39 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.26 3khd h GLU 216 Cb 1.27 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 3khd h GLU 216 CO 0.43 0.40 0.03 -0.22 -1.16 0.00 0.00 179.01 178.50 3khd h LYS 217 N 0.63 0.20 -0.68 2.33 3.64 -1.98 0.25 116.57 120.95 3khd h LYS 217 Ca 0.29 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.65 3khd h LYS 217 Cb 0.32 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 3khd h LYS 217 CO -0.09 0.35 0.45 -0.44 -2.27 0.00 0.00 179.45 177.45 3khd h ASP 218 N 0.00 0.71 -0.50 4.20 3.32 -1.69 -0.10 116.42 122.35 3khd h ASP 218 Ca 0.04 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.95 3khd h ASP 218 Cb 0.24 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3khd h ASP 218 CO -0.00 0.49 -0.19 0.50 -1.72 0.00 0.00 179.24 178.32 3khd h LYS 219 N 0.82 1.02 -0.59 3.56 3.64 -0.34 -1.94 116.57 122.73 3khd h LYS 219 Ca 0.27 -0.42 -0.09 0.00 -1.27 0.00 0.00 60.65 59.14 3khd h LYS 219 Cb 0.06 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 3khd h LYS 219 CO -0.08 1.10 0.01 -0.97 -2.27 0.00 0.00 179.45 177.25 3khd h ASN 220 N 0.88 0.99 -0.47 4.20 -1.24 0.11 -2.26 115.58 117.80 3khd h ASN 220 Ca 0.12 -0.27 -0.04 0.00 0.71 0.00 0.00 56.30 56.82 3khd h ASN 220 Cb 0.77 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.53 3khd h ASN 220 CO 0.06 1.04 0.14 0.44 -1.29 0.00 0.00 177.43 177.82 3khd h ASP 221 N 0.94 0.69 0.17 1.15 3.45 -0.87 -0.83 116.42 121.12 3khd h ASP 221 Ca 0.17 -0.21 -0.01 0.00 0.43 0.00 0.00 57.03 57.41 3khd h ASP 221 Cb 0.53 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 39.12 3khd h ASP 221 CO 0.03 0.71 -0.08 0.40 -1.57 0.00 0.00 179.24 178.73 3khd h ILE 222 N 0.62 0.95 -0.02 0.35 2.04 -1.31 -0.69 117.51 119.45 3khd h ILE 222 Ca 0.15 -0.82 -0.22 0.00 1.00 0.00 0.00 64.86 64.96 3khd h ILE 222 Cb 0.28 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 3khd h ILE 222 CO -0.00 0.18 -0.91 -0.07 0.00 0.00 0.00 178.15 177.35 3khd h LEU 223 N -0.65 0.59 -1.52 1.44 3.38 -1.47 -1.82 115.31 115.25 3khd h LEU 223 Ca -0.02 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3khd h LEU 223 Cb 0.48 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3khd h LEU 223 CO 0.04 1.24 -0.09 0.59 0.09 0.00 0.00 178.44 180.31 3khd n ASN 224 N -3.78 2.34 0.05 -0.43 3.02 -0.32 -4.37 115.26 111.78 3khd n ASN 224 Ca -0.07 -1.67 0.00 0.00 -0.03 0.00 0.00 54.58 52.81 3khd n ASN 224 Cb 0.81 0.11 0.00 0.00 -0.61 0.00 0.00 39.78 40.10 3khd n ASN 224 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 3khd n PHE 225 N 0.77 -0.54 -0.19 3.10 7.35 -0.73 -4.75 117.46 122.46 3khd n PHE 225 Ca 0.10 0.10 -0.01 0.00 -0.76 0.00 0.00 57.45 56.88 3khd n PHE 225 Cb 0.44 0.19 0.06 0.00 0.35 0.00 0.00 39.48 40.53 3khd n PHE 225 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3khd h ALA 226 N 0.00 0.45 0.63 3.13 0.00 -0.95 0.24 119.26 122.75 3khd h ALA 226 Ca 0.00 0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3khd h ALA 226 Cb 0.00 0.39 0.01 0.00 0.00 0.00 0.00 17.79 18.19 3khd h ALA 226 CO 0.00 -0.42 -0.30 0.82 0.00 0.00 0.00 179.25 179.35 3khd h ILE 227 N 0.04 0.01 0.00 0.00 2.04 -1.55 0.22 117.51 118.26 3khd h ILE 227 Ca 0.29 -0.38 -0.07 0.00 1.00 0.00 0.00 64.86 65.69 3khd h ILE 227 Cb 0.45 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 3khd h ILE 227 CO -0.56 0.00 -0.33 -0.65 0.00 0.00 0.00 178.15 176.61 3khd h PRO 228 N -1.23 0.00 0.00 2.37 0.11 -1.74 -2.47 132.00 129.05 3khd h PRO 228 Ca -0.09 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.00 3khd h PRO 228 Cb 0.65 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.76 3khd h PRO 228 CO 0.14 0.33 -0.10 0.52 -0.21 0.00 0.00 178.00 178.68 3khd h MET 229 N 0.00 0.00 -1.96 1.05 2.86 -1.05 -3.48 114.93 112.34 3khd h MET 229 Ca -0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3khd h MET 229 Cb 0.87 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.53 3khd h MET 229 CO 0.04 0.10 -0.03 0.41 1.06 0.00 0.00 176.91 178.50 3khd n GLY 230 N 0.80 0.50 3.78 8.32 0.00 -0.83 -5.05 105.19 112.70 3khd n GLY 230 Ca 0.03 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 3khd n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3khd n ASN 232 N -1.32 0.22 -4.13 0.00 5.03 0.60 -4.71 115.26 110.94 3khd n ASN 232 Ca 0.11 0.10 -0.19 0.00 0.87 0.00 0.00 54.58 55.46 3khd n ASN 232 Cb 0.52 0.74 -0.13 0.00 -1.02 0.00 0.00 39.78 39.88 3khd n ASN 232 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 3khd s PHE 233 N -2.52 1.18 -0.21 3.10 0.40 -0.35 0.04 117.98 119.62 3khd s PHE 233 Ca -0.09 -0.36 0.01 0.00 -0.60 0.00 0.00 56.93 55.90 3khd s PHE 233 Cb 0.06 -0.70 0.04 0.00 0.51 0.00 0.00 43.02 42.94 3khd s PHE 233 CO 0.83 0.03 -0.12 0.42 0.70 0.00 0.00 175.22 177.08 3khd s ILE 234 N -0.87 1.82 -0.40 0.64 1.01 -0.14 -0.85 121.20 122.41 3khd s ILE 234 Ca 0.01 -1.14 -0.24 0.00 0.00 0.00 0.00 60.65 59.28 3khd s ILE 234 Cb -0.08 -1.86 0.02 0.00 0.01 0.00 0.00 42.46 40.54 3khd s ILE 234 CO 0.01 0.18 0.81 0.00 0.00 0.00 0.00 174.94 175.94 3khd s ALA 235 N 1.31 3.36 -0.34 9.38 0.00 0.35 -0.70 121.76 135.12 3khd s ALA 235 Ca -0.02 -0.77 -0.17 0.00 0.00 0.00 0.00 51.96 51.00 3khd s ALA 235 Cb -0.17 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.50 3khd s ALA 235 CO -0.08 -1.71 0.44 0.00 0.00 0.00 0.00 175.76 174.42 3khd s ALA 236 N 3.26 3.49 0.27 0.00 0.00 -0.02 -1.97 121.76 126.79 3khd s ALA 236 Ca 0.32 -1.09 -0.29 0.00 0.00 0.00 0.00 51.96 50.89 3khd s ALA 236 Cb -0.12 -2.92 -0.10 0.00 0.00 0.00 0.00 23.12 19.98 3khd s ALA 236 CO 0.20 -1.14 1.29 -1.12 0.00 0.00 0.00 175.76 174.99 3khd s SER 237 N 1.74 6.88 -1.23 0.00 0.01 -1.26 -0.30 113.70 119.53 3khd s SER 237 Ca 0.15 2.52 -0.07 0.00 1.31 0.00 0.00 55.95 59.86 3khd s SER 237 Cb -0.16 -2.63 0.01 0.00 0.21 0.00 0.00 66.02 63.45 3khd s SER 237 CO 0.12 -0.49 1.07 0.33 0.41 0.00 0.00 173.24 174.69 3khd n PHE 238 N 1.70 -2.57 -2.04 2.43 -0.00 -1.20 -4.69 117.46 111.10 3khd n PHE 238 Ca 0.03 0.93 -0.42 0.00 -0.00 0.00 0.00 57.45 57.99 3khd n PHE 238 Cb 0.42 -4.78 -0.03 0.00 -0.00 0.00 0.00 39.48 35.09 3khd n PHE 238 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3khd s ILE 239 N -3.30 2.90 -0.01 -2.13 -1.09 -1.09 -4.90 121.20 111.57 3khd s ILE 239 Ca 0.44 0.66 0.01 0.00 -2.23 0.00 0.00 60.65 59.53 3khd s ILE 239 Cb -0.19 -3.42 -0.01 0.00 -1.58 0.00 0.00 42.46 37.25 3khd s ILE 239 CO 0.68 0.06 0.03 0.00 -1.23 0.00 0.00 174.94 174.47 3khd n GLN 240 N 3.76 1.73 -3.93 2.79 6.02 -1.26 -4.28 117.38 122.21 3khd n GLN 240 Ca 0.12 -0.01 -0.09 0.00 -0.01 0.00 0.00 57.00 57.02 3khd n GLN 240 Cb 0.40 -0.90 -0.05 0.00 1.02 0.00 0.00 30.24 30.72 3khd n GLN 240 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3khd s SER 241 N -1.85 -0.14 0.56 1.08 1.04 -1.26 -4.24 113.70 108.88 3khd s SER 241 Ca -0.00 -0.80 0.32 0.00 0.48 0.00 0.00 55.95 55.95 3khd s SER 241 Cb 0.01 0.60 1.62 0.00 0.10 0.00 0.00 66.02 68.35 3khd s SER 241 CO 0.04 -1.15 2.11 0.00 0.98 0.00 0.00 173.24 175.22 3khd h ALA 242 N 2.21 1.16 -0.29 5.32 0.00 -1.88 -2.46 119.26 123.32 3khd h ALA 242 Ca -0.25 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 3khd h ALA 242 Cb 1.25 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3khd h ALA 242 CO 0.34 0.09 -0.16 -0.44 0.00 0.00 0.00 179.25 179.09 3khd h ASP 243 N 0.00 0.50 -0.61 0.00 3.32 -1.95 -1.00 116.42 116.68 3khd h ASP 243 Ca -0.00 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 3khd h ASP 243 Cb 0.31 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 3khd h ASP 243 CO 0.01 0.68 0.35 0.44 -1.72 0.00 0.00 179.24 179.00 3khd h ASP 244 N 0.47 0.74 -0.54 6.45 3.32 -1.85 0.17 116.42 125.18 3khd h ASP 244 Ca 0.08 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 3khd h ASP 244 Cb 0.54 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 3khd h ASP 244 CO 0.03 0.60 -0.02 0.58 -1.72 0.00 0.00 179.24 178.71 3khd h VAL 245 N 0.82 1.27 -0.56 -1.35 2.07 -1.50 -2.44 116.25 114.56 3khd h VAL 245 Ca 0.22 -1.14 -0.07 0.00 0.82 0.00 0.00 66.70 66.53 3khd h VAL 245 Cb 0.00 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3khd h VAL 245 CO -0.04 0.40 0.07 0.03 0.02 0.00 0.00 177.57 178.06 3khd h ARG 246 N 0.84 0.91 -0.43 1.57 3.08 -1.01 -2.07 114.38 117.27 3khd h ARG 246 Ca 0.15 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 3khd h ARG 246 Cb 0.56 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 3khd h ARG 246 CO 0.03 0.85 0.06 1.25 -1.07 0.00 0.00 179.97 181.10 3khd h LEU 247 N 0.86 0.62 -0.14 3.04 6.46 -0.75 -2.00 115.31 123.40 3khd h LEU 247 Ca 0.17 -0.11 -0.23 0.00 -0.12 0.00 0.00 57.88 57.59 3khd h LEU 247 Cb 0.40 -0.16 0.01 0.00 -0.73 0.00 0.00 40.66 40.18 3khd h LEU 247 CO 0.01 0.65 -0.93 0.40 -0.62 0.00 0.00 178.44 177.96 3khd h ILE 248 N 0.64 1.33 -0.54 4.05 2.04 -1.22 -2.97 117.51 120.84 3khd h ILE 248 Ca 0.14 -2.26 -0.05 0.00 1.00 0.00 0.00 64.86 63.69 3khd h ILE 248 Cb 0.31 2.29 -0.02 0.00 -0.74 0.00 0.00 36.82 38.66 3khd h ILE 248 CO 0.00 0.69 0.14 -0.09 0.00 0.00 0.00 178.15 178.89 3khd h ARG 249 N 0.35 0.87 -0.91 2.37 2.43 -1.17 -1.62 114.38 116.69 3khd h ARG 249 Ca -0.09 -0.21 0.03 0.00 -0.81 0.00 0.00 59.98 58.91 3khd h ARG 249 Cb 1.56 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.94 3khd h ARG 249 CO 0.17 0.81 0.59 -0.91 -1.51 0.00 0.00 179.97 179.13 3khd h ASN 250 N 0.76 0.99 -0.50 -3.80 2.35 -1.43 -2.38 115.58 111.56 3khd h ASN 250 Ca 0.17 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.86 3khd h ASN 250 Cb 0.33 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 3khd h ASN 250 CO 0.00 0.69 0.12 0.25 -1.65 0.00 0.00 177.43 176.84 3khd h LEU 251 N 1.16 0.77 -1.24 1.61 5.85 -1.30 -2.73 115.31 119.43 3khd h LEU 251 Ca 0.36 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.88 3khd h LEU 251 Cb -0.03 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.76 3khd h LEU 251 CO -0.11 0.81 0.53 -0.07 -0.34 0.00 0.00 178.44 179.25 3khd h LEU 252 N 0.70 0.85 0.00 2.25 3.38 -1.06 -3.48 115.31 117.94 3khd h LEU 252 Ca 0.16 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3khd h LEU 252 Cb 0.34 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3khd h LEU 252 CO 0.00 0.58 0.00 0.61 0.09 0.00 0.00 178.44 179.73 3khd n GLY 253 N -1.42 0.23 0.27 0.83 0.00 -0.92 -0.89 105.19 103.29 3khd n GLY 253 Ca 0.10 -0.92 0.01 0.00 0.00 0.00 0.00 46.02 45.21 3khd n GLY 253 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3khd h PRO 254 N 0.00 0.47 -0.23 1.61 0.11 -1.91 -2.56 132.00 129.49 3khd h PRO 254 Ca 0.00 -0.09 -0.09 0.00 0.11 0.00 0.00 66.00 65.93 3khd h PRO 254 Cb 0.00 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 3khd h PRO 254 CO 0.00 0.49 -0.23 0.00 -0.21 0.00 0.00 178.00 178.05 3khd h ARG 255 N 0.45 0.42 -0.73 1.05 3.08 -1.97 -3.04 114.38 113.64 3khd h ARG 255 Ca 0.10 -0.15 -0.24 0.00 0.07 0.00 0.00 59.98 59.77 3khd h ARG 255 Cb 0.29 -0.03 -0.14 0.00 0.08 0.00 0.00 29.97 30.17 3khd h ARG 255 CO 0.01 0.63 0.28 0.41 -1.07 0.00 0.00 179.97 180.23 3khd n GLY 256 N -0.46 3.81 0.31 0.04 0.00 -0.07 -4.66 105.19 104.15 3khd n GLY 256 Ca -0.00 -1.02 0.05 0.00 0.00 0.00 0.00 46.02 45.05 3khd n GLY 256 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3khd h ARG 257 N 2.43 0.49 -0.01 1.61 -0.00 -1.38 -2.71 114.38 114.81 3khd h ARG 257 Ca 0.29 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.74 3khd h ARG 257 Cb 2.33 -0.11 0.00 0.00 0.00 0.00 0.00 29.97 32.19 3khd h ARG 257 CO 0.74 0.33 -0.37 0.72 0.00 0.00 0.00 179.97 181.39 3khd n HIS 258 N -4.48 0.00 -2.65 3.04 8.25 -1.26 -4.88 115.22 113.25 3khd n HIS 258 Ca 0.04 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.08 3khd n HIS 258 Cb 0.11 -0.11 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 3khd n HIS 258 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3khd s ILE 259 N -2.59 4.52 -0.01 1.59 1.01 -1.03 -4.96 121.20 119.73 3khd s ILE 259 Ca 0.21 1.92 -0.15 0.00 0.00 0.00 0.00 60.65 62.62 3khd s ILE 259 Cb 0.19 -4.23 -0.06 0.00 0.01 0.00 0.00 42.46 38.37 3khd s ILE 259 CO 0.57 0.21 0.42 -0.54 0.00 0.00 0.00 174.94 175.60 3khd s LYS 260 N 0.57 3.99 -0.30 2.79 -0.14 0.11 -4.96 119.74 121.79 3khd s LYS 260 Ca 0.51 0.42 -0.12 0.00 -1.36 0.00 0.00 55.97 55.42 3khd s LYS 260 Cb -0.24 -3.25 -0.04 0.00 -1.68 0.00 0.00 37.83 32.63 3khd s LYS 260 CO 0.29 0.62 0.24 0.42 -0.76 0.00 0.00 175.35 176.17 3khd s ILE 261 N -0.86 5.27 -0.45 2.17 1.01 -1.26 -0.96 121.20 126.12 3khd s ILE 261 Ca 0.24 0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.99 3khd s ILE 261 Cb -0.17 -3.63 0.12 0.00 0.01 0.00 0.00 42.46 38.79 3khd s ILE 261 CO 0.13 0.13 0.21 -0.63 0.00 0.00 0.00 174.94 174.78 3khd s ILE 262 N 1.81 2.83 0.37 2.92 1.09 0.12 -1.39 121.20 128.95 3khd s ILE 262 Ca 0.08 -2.66 -0.28 0.00 -1.10 0.00 0.00 60.65 56.69 3khd s ILE 262 Cb -0.16 -2.97 -0.11 0.00 -1.06 0.00 0.00 42.46 38.16 3khd s ILE 262 CO 0.11 -0.72 1.50 -2.84 -0.10 0.00 0.00 174.94 172.89 3khd s PRO 263 N 0.46 4.10 -0.25 2.79 0.02 -1.22 -0.84 135.00 140.06 3khd s PRO 263 Ca 0.13 2.59 -0.10 0.00 0.02 0.00 0.00 61.00 63.64 3khd s PRO 263 Cb -0.22 -2.97 -0.04 0.00 0.02 0.00 0.00 34.50 31.29 3khd s PRO 263 CO -0.04 -0.56 0.14 0.15 -0.33 0.00 0.00 177.00 176.36 3khd s LYS 264 N -1.95 3.89 -0.37 5.54 1.02 0.59 -1.43 119.74 127.03 3khd s LYS 264 Ca 0.54 -0.36 -0.22 0.00 0.02 0.00 0.00 55.97 55.96 3khd s LYS 264 Cb -0.47 -3.50 0.01 0.00 -0.52 0.00 0.00 37.83 33.35 3khd s LYS 264 CO 0.62 -0.09 0.69 0.42 -0.92 0.00 0.00 175.35 176.07 3khd s ILE 265 N 1.45 4.81 0.00 2.17 -1.09 -1.20 -2.66 121.20 124.69 3khd s ILE 265 Ca 0.06 0.62 0.00 0.00 -2.23 0.00 0.00 60.65 59.10 3khd s ILE 265 Cb -0.15 -4.15 0.00 0.00 -1.58 0.00 0.00 42.46 36.58 3khd s ILE 265 CO 0.07 -0.41 0.37 -0.62 -1.23 0.00 0.00 174.94 173.12 3khd n GLU 266 N 6.24 -0.18 -4.05 2.79 1.02 -1.26 -4.17 120.64 121.02 3khd n GLU 266 Ca 0.00 -0.42 -0.12 0.00 -0.02 0.00 0.00 57.16 56.60 3khd n GLU 266 Cb 0.48 -0.79 -0.05 0.00 -0.02 0.00 0.00 31.44 31.07 3khd n GLU 266 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3khd s ASN 267 N -0.10 0.48 0.20 1.62 4.22 -1.26 -4.47 114.94 115.63 3khd s ASN 267 Ca 0.00 -1.28 -0.11 0.00 -2.14 0.00 0.00 52.86 49.33 3khd s ASN 267 Cb 0.00 0.62 0.13 0.00 1.28 0.00 0.00 41.25 43.29 3khd s ASN 267 CO 0.00 -1.23 1.86 0.40 -2.04 0.00 0.00 177.10 176.09 3khd h ILE 268 N 2.19 1.19 -0.65 0.54 2.04 -1.92 -2.62 117.51 118.28 3khd h ILE 268 Ca -0.28 -0.38 0.08 0.00 1.00 0.00 0.00 64.86 65.28 3khd h ILE 268 Cb 1.24 0.19 -0.07 0.00 -0.74 0.00 0.00 36.82 37.45 3khd h ILE 268 CO 0.39 0.19 0.31 -0.33 0.00 0.00 0.00 178.15 178.70 3khd h GLU 269 N 0.95 0.53 -0.34 2.37 4.39 -1.91 0.19 114.58 120.76 3khd h GLU 269 Ca 0.25 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.90 3khd h GLU 269 Cb -0.07 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.44 3khd h GLU 269 CO -0.05 0.35 0.12 0.78 -1.16 0.00 0.00 179.01 179.05 3khd h GLY 270 N 0.54 0.51 0.73 -3.84 0.00 -1.67 -0.97 103.07 98.37 3khd h GLY 270 Ca 0.31 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.33 3khd h GLY 270 CO -0.25 0.23 -0.21 -2.22 0.00 0.00 0.00 176.54 174.09 3khd h ILE 271 N 0.48 1.37 -0.15 2.60 2.04 -0.75 -1.99 117.51 121.11 3khd h ILE 271 Ca 0.12 -1.45 0.03 0.00 1.00 0.00 0.00 64.86 64.55 3khd h ILE 271 Cb 0.12 2.03 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 3khd h ILE 271 CO -0.01 0.42 -0.04 0.40 0.00 0.00 0.00 178.15 178.92 3khd h ILE 272 N -0.06 0.83 -0.46 -0.67 2.04 -0.41 -2.83 117.51 115.95 3khd h ILE 272 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 3khd h ILE 272 Cb 0.78 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 3khd h ILE 272 CO 0.05 0.00 0.00 1.41 0.00 0.00 0.00 178.15 179.61 3khd n HIS 273 N -5.18 1.18 -0.27 1.37 8.25 -0.39 -4.63 115.22 115.55 3khd n HIS 273 Ca -0.03 -0.45 0.09 0.00 -0.26 0.00 0.00 57.72 57.06 3khd n HIS 273 Cb 0.11 -0.24 0.22 0.00 1.12 0.00 0.00 29.99 31.20 3khd n HIS 273 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 3khd h PHE 274 N 2.97 0.20 0.31 4.41 3.57 -1.09 -2.19 116.94 125.12 3khd h PHE 274 Ca 0.00 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 3khd h PHE 274 Cb 1.22 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.98 3khd h PHE 274 CO 0.61 -0.19 -0.30 -0.44 -2.23 0.00 0.00 178.31 175.77 3khd h ASP 275 N 0.19 -0.79 -0.98 0.41 3.32 -1.85 0.15 116.42 116.87 3khd h ASP 275 Ca 0.48 0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.65 3khd h ASP 275 Cb 0.89 0.27 -0.06 0.00 0.22 0.00 0.00 39.33 40.65 3khd h ASP 275 CO -0.63 -0.43 0.64 0.11 -1.72 0.00 0.00 179.24 177.22 3khd h LYS 276 N -0.63 1.16 -0.10 3.56 6.56 -1.83 -1.51 116.57 123.77 3khd h LYS 276 Ca -0.02 -0.07 -0.00 0.00 -1.06 0.00 0.00 60.65 59.50 3khd h LYS 276 Cb 0.57 -0.26 -0.00 0.00 -0.57 0.00 0.00 32.23 31.97 3khd h LYS 276 CO -0.05 0.77 0.05 0.82 -2.06 0.00 0.00 179.45 178.98 3khd h ILE 277 N 1.20 1.12 -0.78 1.86 2.04 -0.99 -2.82 117.51 119.14 3khd h ILE 277 Ca 0.41 -0.33 0.07 0.00 1.00 0.00 0.00 64.86 66.00 3khd h ILE 277 Cb 0.09 1.16 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 3khd h ILE 277 CO -0.14 0.10 0.45 0.25 0.00 0.00 0.00 178.15 178.81 3khd h LEU 278 N 0.03 0.68 -0.92 1.44 5.85 -0.26 -0.46 115.31 121.66 3khd h LEU 278 Ca 0.03 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 3khd h LEU 278 Cb 0.12 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 3khd h LEU 278 CO -0.00 0.42 0.57 0.00 -0.34 0.00 0.00 178.44 179.08 3khd h ALA 279 N 1.40 1.17 0.00 1.25 0.00 -1.14 -2.35 119.26 119.59 3khd h ALA 279 Ca 0.36 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 3khd h ALA 279 Cb 0.24 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3khd h ALA 279 CO -0.20 0.62 -0.53 0.93 0.00 0.00 0.00 179.25 180.07 3khd h GLU 280 N 1.27 0.00 -7.30 0.00 4.39 -1.23 -3.47 114.58 108.24 3khd h GLU 280 Ca 0.33 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.55 3khd h GLU 280 Cb -0.07 0.00 0.16 0.00 -0.10 0.00 0.00 28.75 28.74 3khd h GLU 280 CO -0.06 0.53 0.21 -1.12 -1.16 0.00 0.00 179.01 177.41 3khd s SER 281 N -6.48 3.02 0.00 1.42 0.01 -0.21 -4.97 113.70 106.49 3khd s SER 281 Ca 0.04 1.58 0.19 0.00 1.31 0.00 0.00 55.95 59.07 3khd s SER 281 Cb 0.08 -2.24 -0.08 0.00 0.21 0.00 0.00 66.02 63.98 3khd s SER 281 CO 0.75 -2.94 0.89 0.47 0.41 0.00 0.00 173.24 172.82 3khd n ASP 282 N -4.09 1.44 0.00 2.44 8.00 -0.49 -4.98 116.55 118.88 3khd n ASP 282 Ca 0.07 -1.22 0.00 0.00 0.71 0.00 0.00 54.79 54.35 3khd n ASP 282 Cb 0.55 0.68 0.00 0.00 -0.02 0.00 0.00 41.12 42.33 3khd n ASP 282 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3khd n GLY 283 N 1.34 -0.08 3.19 0.44 0.00 -1.21 -4.31 105.19 104.55 3khd n GLY 283 Ca 0.06 -1.09 -0.22 0.00 0.00 0.00 0.00 46.02 44.77 3khd n GLY 283 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3khd s ILE 284 N -2.00 1.32 -0.15 -0.61 -1.09 -0.61 -3.39 121.20 114.68 3khd s ILE 284 Ca 0.00 -1.12 -0.00 0.00 -2.23 0.00 0.00 60.65 57.30 3khd s ILE 284 Cb 0.00 -1.19 0.03 0.00 -1.58 0.00 0.00 42.46 39.72 3khd s ILE 284 CO 0.00 0.04 -0.10 -0.32 -1.23 0.00 0.00 174.94 173.34 3khd s MET 285 N -1.25 1.83 -0.02 2.79 -2.45 -0.51 0.40 119.30 120.08 3khd s MET 285 Ca 0.03 -0.49 0.07 0.00 -1.25 0.00 0.00 55.69 54.05 3khd s MET 285 Cb -0.08 -1.96 -0.02 0.00 1.25 0.00 0.00 34.83 34.02 3khd s MET 285 CO 0.02 -0.31 -0.22 0.96 1.05 0.00 0.00 175.02 176.51 3khd s ILE 286 N 1.58 1.76 -0.10 10.11 -4.36 -0.18 -3.24 121.20 126.77 3khd s ILE 286 Ca 0.03 -0.95 0.02 0.00 -0.26 0.00 0.00 60.65 59.49 3khd s ILE 286 Cb -0.14 -1.46 0.01 0.00 1.25 0.00 0.00 42.46 42.13 3khd s ILE 286 CO -0.09 0.50 -0.16 0.00 0.24 0.00 0.00 174.94 175.43 3khd s ALA 287 N -0.52 1.65 0.28 2.27 0.00 -1.26 0.56 121.76 124.74 3khd s ALA 287 Ca 0.09 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.38 3khd s ALA 287 Cb -0.09 -0.76 0.65 0.00 0.00 0.00 0.00 23.12 22.92 3khd s ALA 287 CO -0.01 0.03 1.71 -0.09 0.00 0.00 0.00 175.76 177.40 3khd h ARG 288 N 7.19 0.41 -0.75 0.00 2.43 -1.93 0.35 114.38 122.07 3khd h ARG 288 Ca -0.29 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 58.82 3khd h ARG 288 Cb 1.19 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.61 3khd h ARG 288 CO 0.48 0.27 0.35 0.78 -1.51 0.00 0.00 179.97 180.34 3khd h GLY 289 N 0.42 1.16 0.51 2.80 0.00 -1.96 -1.23 103.07 104.77 3khd h GLY 289 Ca 0.52 -0.58 -0.37 0.00 0.00 0.00 0.00 47.33 46.90 3khd h GLY 289 CO -0.50 0.55 -2.08 1.22 0.00 0.00 0.00 176.54 175.74 3khd n ASP 290 N -4.31 2.06 0.15 0.19 8.00 -0.85 -3.38 116.55 118.40 3khd n ASP 290 Ca 0.07 0.15 0.01 0.00 0.71 0.00 0.00 54.79 55.74 3khd n ASP 290 Cb 0.15 -0.75 0.32 0.00 -0.02 0.00 0.00 41.12 40.82 3khd n ASP 290 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3khd h LEU 291 N 0.06 0.11 -2.96 0.64 5.85 -1.00 -2.89 115.31 115.13 3khd h LEU 291 Ca -0.45 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3khd h LEU 291 Cb 2.01 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 43.01 3khd h LEU 291 CO 0.06 0.45 0.00 0.61 -0.34 0.00 0.00 178.44 179.22 3khd n GLY 292 N -0.46 2.64 0.06 3.75 0.00 -0.47 -4.46 105.19 106.26 3khd n GLY 292 Ca -0.02 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 3khd n GLY 292 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3khd h MET 293 N 4.22 0.06 -0.00 1.61 -1.53 -1.52 -3.13 114.93 114.63 3khd h MET 293 Ca 0.00 -0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.24 3khd h MET 293 Cb 1.24 -0.01 0.00 0.00 -0.55 0.00 0.00 31.60 32.29 3khd h MET 293 CO 0.12 0.34 -0.36 0.39 0.14 0.00 0.00 176.91 177.54 3khd n GLU 294 N -4.91 0.52 -3.27 0.39 1.02 -1.26 -4.86 120.64 108.27 3khd n GLU 294 Ca -0.07 -0.31 -0.37 0.00 -0.02 0.00 0.00 57.16 56.38 3khd n GLU 294 Cb 0.17 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.04 3khd n GLU 294 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3khd s ILE 295 N -2.69 4.74 0.29 -3.67 -1.09 -1.18 -4.91 121.20 112.68 3khd s ILE 295 Ca 0.19 1.11 -0.30 0.00 -2.23 0.00 0.00 60.65 59.42 3khd s ILE 295 Cb 0.19 -3.84 -0.12 0.00 -1.58 0.00 0.00 42.46 37.11 3khd s ILE 295 CO 0.59 0.40 1.63 -0.24 -1.23 0.00 0.00 174.94 176.09 3khd n SER 296 N 1.26 3.95 -0.38 3.58 2.88 -1.26 -4.87 113.62 118.77 3khd n SER 296 Ca -0.07 1.14 0.31 0.00 -1.33 0.00 0.00 58.87 58.91 3khd n SER 296 Cb 0.51 -1.60 0.58 0.00 -0.75 0.00 0.00 64.21 62.94 3khd n SER 296 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3khd h PRO 297 N 5.07 0.19 0.00 -1.46 0.11 -1.96 0.82 132.00 134.77 3khd h PRO 297 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3khd h PRO 297 Cb 1.22 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3khd h PRO 297 CO 0.82 0.12 0.00 0.39 -0.21 0.00 0.00 178.00 179.12 3khd n GLU 298 N -4.82 0.08 -0.06 1.05 4.71 -1.26 -3.58 120.64 116.77 3khd n GLU 298 Ca 0.34 0.11 0.07 0.00 -0.01 0.00 0.00 57.16 57.67 3khd n GLU 298 Cb 1.21 -1.60 0.09 0.00 -1.01 0.00 0.00 31.44 30.13 3khd n GLU 298 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3khd n LYS 299 N -1.75 1.43 -0.24 3.49 5.02 0.28 -4.63 118.16 121.76 3khd n LYS 299 Ca 0.06 -1.55 -0.07 0.00 -2.02 0.00 0.00 58.31 54.73 3khd n LYS 299 Cb 0.34 -1.28 0.04 0.00 -0.02 0.00 0.00 35.03 34.11 3khd n LYS 299 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3khd h VAL 300 N 2.64 1.24 0.00 -0.18 2.07 -1.61 -2.48 116.25 117.94 3khd h VAL 300 Ca 0.00 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.74 3khd h VAL 300 Cb 0.63 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3khd h VAL 300 CO 0.00 0.30 -0.14 2.19 0.02 0.00 0.00 177.57 179.94 3khd h PHE 301 N 0.95 0.00 -0.14 1.57 -0.00 -1.86 -2.96 116.94 114.51 3khd h PHE 301 Ca 0.22 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 58.18 3khd h PHE 301 Cb 0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.15 3khd h PHE 301 CO 0.01 0.14 0.05 -0.07 -0.00 0.00 0.00 178.31 178.44 3khd h LEU 302 N 0.00 0.19 -1.37 2.10 3.38 -1.76 -2.14 115.31 115.71 3khd h LEU 302 Ca -0.00 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.80 3khd h LEU 302 Cb 0.43 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 3khd h LEU 302 CO 0.02 0.32 0.43 0.00 0.09 0.00 0.00 178.44 179.29 3khd h ALA 303 N 0.88 1.56 -0.23 1.53 0.00 -1.55 -1.92 119.26 119.53 3khd h ALA 303 Ca 0.04 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 3khd h ALA 303 Cb 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3khd h ALA 303 CO -0.00 0.40 -0.63 1.96 0.00 0.00 0.00 179.25 180.97 3khd h GLN 304 N 0.85 0.84 -0.24 0.00 4.20 -1.49 -2.36 115.11 116.91 3khd h GLN 304 Ca 0.24 -0.59 -0.17 0.00 0.06 0.00 0.00 58.65 58.19 3khd h GLN 304 Cb -0.06 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 3khd h GLN 304 CO -0.06 1.21 -0.55 0.87 -0.67 0.00 0.00 178.83 179.64 3khd h LYS 305 N 0.61 0.72 -0.19 1.46 1.57 -1.19 -2.34 116.57 117.21 3khd h LYS 305 Ca -0.01 -0.46 -0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3khd h LYS 305 Cb 1.25 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 3khd h LYS 305 CO 0.14 1.08 0.12 1.25 -0.57 0.00 0.00 179.45 181.47 3khd h LEU 306 N 0.55 0.23 -0.30 2.94 5.85 -1.35 -2.41 115.31 120.82 3khd h LEU 306 Ca 0.01 -0.04 -0.20 0.00 0.84 0.00 0.00 57.88 58.49 3khd h LEU 306 Cb 1.13 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 3khd h LEU 306 CO 0.11 0.21 -0.84 0.24 -0.34 0.00 0.00 178.44 177.82 3khd h MET 307 N 0.24 0.33 -0.40 1.25 2.86 -1.41 -1.63 114.93 116.17 3khd h MET 307 Ca 0.07 -0.32 -0.15 0.00 -2.06 0.00 0.00 59.70 57.24 3khd h MET 307 Cb 0.02 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 3khd h MET 307 CO -0.01 1.00 -0.33 0.82 1.06 0.00 0.00 176.91 179.44 3khd h ILE 308 N 0.20 1.27 -0.58 -1.22 2.04 -1.46 -1.41 117.51 116.35 3khd h ILE 308 Ca -0.05 -1.50 -0.06 0.00 1.00 0.00 0.00 64.86 64.25 3khd h ILE 308 Cb 1.45 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.85 3khd h ILE 308 CO 0.14 0.51 0.15 0.28 0.00 0.00 0.00 178.15 179.22 3khd h SER 309 N 0.75 0.88 -0.20 1.72 0.02 -1.40 -0.61 113.55 114.71 3khd h SER 309 Ca 0.07 -0.23 -0.10 0.00 -0.84 0.00 0.00 61.79 60.69 3khd h SER 309 Cb 0.92 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 3khd h SER 309 CO 0.09 0.88 -0.20 0.11 -1.14 0.00 0.00 176.83 176.57 3khd h LYS 310 N 0.84 0.63 -0.16 3.45 1.57 -1.23 -1.56 116.57 120.11 3khd h LYS 310 Ca 0.18 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 3khd h LYS 310 Cb 0.34 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 3khd h LYS 310 CO 0.00 0.79 -0.07 0.00 -0.57 0.00 0.00 179.45 179.60 3khd h ASN 312 N 0.00 0.15 0.43 0.00 -0.26 -0.96 -0.35 115.58 114.59 3khd h ASN 312 Ca 0.04 0.10 -0.08 0.00 -0.56 0.00 0.00 56.30 55.79 3khd h ASN 312 Cb 0.55 0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.89 3khd h ASN 312 CO 0.02 0.08 -0.39 -0.07 -1.06 0.00 0.00 177.43 176.02 3khd h LEU 313 N 0.36 0.00 0.00 1.61 3.38 -1.27 -3.04 115.31 116.35 3khd h LEU 313 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3khd h LEU 313 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3khd h LEU 313 CO -0.36 0.39 -0.91 1.67 0.09 0.00 0.00 178.44 179.32 3khd n GLN 314 N -4.00 0.36 -0.74 1.13 -0.06 -0.82 -4.89 117.38 108.36 3khd n GLN 314 Ca -0.02 0.05 0.00 0.00 -2.00 0.00 0.00 57.00 55.03 3khd n GLN 314 Cb 0.43 -1.67 0.00 0.00 -4.06 0.00 0.00 30.24 24.94 3khd n GLN 314 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3khd n GLY 315 N 1.32 0.75 3.74 1.69 0.00 -0.23 -5.04 105.19 107.42 3khd n GLY 315 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3khd n GLY 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3khd s LYS 316 N -0.26 4.49 0.51 1.61 -0.14 -0.69 -4.85 119.74 120.41 3khd s LYS 316 Ca 0.00 1.05 -0.20 0.00 -1.36 0.00 0.00 55.97 55.46 3khd s LYS 316 Cb 0.00 -3.38 -0.07 0.00 -1.68 0.00 0.00 37.83 32.70 3khd s LYS 316 CO 0.00 0.24 1.11 -1.25 -0.76 0.00 0.00 175.35 174.68 3khd s PRO 317 N 0.12 3.55 -0.00 -1.68 0.04 -1.26 -4.21 135.00 131.56 3khd s PRO 317 Ca 0.39 1.57 0.05 0.00 0.04 0.00 0.00 61.00 63.04 3khd s PRO 317 Cb -0.20 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.23 3khd s PRO 317 CO 0.22 -0.68 -0.15 -1.50 0.04 0.00 0.00 177.00 174.94 3khd s ILE 318 N -1.79 1.17 -0.25 0.56 2.07 -1.26 -1.57 121.20 120.13 3khd s ILE 318 Ca 0.70 -0.70 -0.02 0.00 -1.41 0.00 0.00 60.65 59.22 3khd s ILE 318 Cb -0.23 -0.99 0.02 0.00 0.13 0.00 0.00 42.46 41.40 3khd s ILE 318 CO 0.26 0.28 -0.05 -0.63 -1.91 0.00 0.00 174.94 172.89 3khd s ILE 319 N -0.43 2.97 -0.30 2.00 1.01 0.16 -2.32 121.20 124.30 3khd s ILE 319 Ca 0.05 -0.99 -0.29 0.00 0.00 0.00 0.00 60.65 59.42 3khd s ILE 319 Cb -0.06 -2.51 0.01 0.00 0.01 0.00 0.00 42.46 39.91 3khd s ILE 319 CO -0.00 0.19 1.19 -0.89 0.00 0.00 0.00 174.94 175.42 3khd s THR 320 N 1.34 4.33 -0.80 2.92 2.01 -0.18 -1.01 115.64 124.25 3khd s THR 320 Ca 0.00 1.53 0.09 0.00 0.31 0.00 0.00 61.69 63.62 3khd s THR 320 Cb -0.17 -4.27 -0.00 0.00 0.01 0.00 0.00 72.50 68.07 3khd s THR 320 CO -0.04 -0.45 0.58 0.00 -0.69 0.00 0.00 174.62 174.02 3khd n ALA 321 N 7.16 2.77 -1.71 7.40 0.00 0.19 -1.76 120.51 134.56 3khd n ALA 321 Ca 0.13 -0.41 -0.43 0.00 0.00 0.00 0.00 53.44 52.73 3khd n ALA 321 Cb 0.47 -0.31 -0.02 0.00 0.00 0.00 0.00 19.45 19.59 3khd n ALA 321 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3khd n THR 322 N -0.30 1.05 -2.47 0.00 5.66 -1.22 -4.79 114.28 112.21 3khd n THR 322 Ca 0.04 -0.26 -0.43 0.00 -3.05 0.00 0.00 64.05 60.35 3khd n THR 322 Cb 0.18 -1.75 -0.02 0.00 -1.55 0.00 0.00 70.33 67.19 3khd n THR 322 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 3khd s GLN 323 N -0.55 3.53 -0.01 1.09 0.74 -1.26 -4.66 119.66 118.54 3khd s GLN 323 Ca 0.65 0.60 0.16 0.00 0.05 0.00 0.00 55.36 56.82 3khd s GLN 323 Cb -0.56 -4.02 -0.22 0.00 1.10 0.00 0.00 33.01 29.31 3khd s GLN 323 CO 0.50 -1.64 0.50 -1.33 -0.55 0.00 0.00 175.29 172.77 3khd n MET 324 N 8.23 1.06 -1.77 1.67 2.81 -1.26 -4.45 117.12 123.41 3khd n MET 324 Ca 0.13 -0.08 -0.21 0.00 -1.81 0.00 0.00 57.70 55.73 3khd n MET 324 Cb 0.49 -1.32 0.05 0.00 -0.71 0.00 0.00 33.22 31.72 3khd n MET 324 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3khd n LEU 325 N -1.76 4.86 -0.26 4.03 4.77 -1.26 -4.69 117.00 122.68 3khd n LEU 325 Ca -0.00 -4.59 0.05 0.00 -0.03 0.00 0.00 56.01 51.43 3khd n LEU 325 Cb 0.35 -0.42 0.19 0.00 -2.33 0.00 0.00 43.42 41.21 3khd n LEU 325 CO 0.33 1.96 1.05 -0.08 -1.33 0.00 0.00 177.39 179.32 3khd h GLU 326 N 2.00 0.50 0.00 3.23 4.22 -1.99 -1.14 114.58 121.40 3khd h GLU 326 Ca 0.34 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.75 3khd h GLU 326 Cb 1.43 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.57 3khd h GLU 326 CO 0.72 0.33 0.00 0.66 -2.18 0.00 0.00 179.01 178.55 3khd h SER 327 N 0.52 0.00 0.00 1.04 4.64 -1.96 -1.16 113.55 116.63 3khd h SER 327 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 3khd h SER 327 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3khd h SER 327 CO -0.37 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 175.82 3khd n MET 328 N -2.88 0.80 -0.05 4.77 2.81 -0.43 -1.07 117.12 121.07 3khd n MET 328 Ca -0.02 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.76 3khd n MET 328 Cb 0.11 -1.10 0.03 0.00 -0.71 0.00 0.00 33.22 31.54 3khd n MET 328 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3khd h THR 329 N 0.00 1.29 0.00 2.03 2.02 -1.38 -3.37 112.91 113.50 3khd h THR 329 Ca 0.00 -1.66 -0.28 0.00 0.77 0.00 0.00 66.41 65.24 3khd h THR 329 Cb 0.00 1.58 -0.05 0.00 -1.74 0.00 0.00 68.15 67.94 3khd h THR 329 CO 0.00 0.54 -2.04 0.29 0.37 0.00 0.00 175.52 174.67 3khd n LYS 330 N -4.01 0.45 -3.59 6.66 4.01 -0.89 -1.40 118.16 119.39 3khd n LYS 330 Ca -0.03 0.11 -0.34 0.00 -0.51 0.00 0.00 58.31 57.54 3khd n LYS 330 Cb 0.57 -1.35 -0.05 0.00 -0.51 0.00 0.00 35.03 33.69 3khd n LYS 330 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 3khd s ASN 331 N -5.86 6.62 0.00 4.39 0.01 -0.23 -4.90 114.94 114.98 3khd s ASN 331 Ca -0.25 0.76 0.25 0.00 -0.71 0.00 0.00 52.86 52.92 3khd s ASN 331 Cb 0.07 -2.17 1.19 0.00 0.41 0.00 0.00 41.25 40.75 3khd s ASN 331 CO 0.41 0.17 1.84 -0.81 -1.51 0.00 0.00 177.10 177.20 3khd n PRO 332 N 0.85 0.21 -3.95 -0.60 -0.04 -1.26 -4.25 135.00 125.95 3khd n PRO 332 Ca -0.08 0.06 -0.13 0.00 -0.04 0.00 0.00 63.50 63.31 3khd n PRO 332 Cb 0.52 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.34 3khd n PRO 332 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3khd s ARG 333 N -2.76 0.13 0.75 0.54 3.00 -1.26 -4.92 118.95 114.43 3khd s ARG 333 Ca 0.19 -0.04 -0.12 0.00 0.00 0.00 0.00 55.73 55.76 3khd s ARG 333 Cb 0.17 -0.14 0.04 0.00 0.00 0.00 0.00 34.95 35.02 3khd s ARG 333 CO 0.42 0.02 1.12 -1.25 0.00 0.00 0.00 175.30 175.61 3khd s PRO 334 N 0.04 2.47 0.63 3.54 0.04 -1.26 -4.77 135.00 135.68 3khd s PRO 334 Ca -0.00 0.40 -0.13 0.00 0.04 0.00 0.00 61.00 61.31 3khd s PRO 334 Cb -0.01 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 3khd s PRO 334 CO -0.00 -1.30 1.05 0.95 0.04 0.00 0.00 177.00 177.74 3khd s THR 335 N -3.37 4.01 0.25 1.26 -4.23 -1.26 -4.95 115.64 107.34 3khd s THR 335 Ca 0.60 0.80 -0.05 0.00 -1.18 0.00 0.00 61.69 61.85 3khd s THR 335 Cb -0.12 -3.44 0.25 0.00 1.34 0.00 0.00 72.50 70.53 3khd s THR 335 CO 0.52 -0.71 1.91 0.08 -0.54 0.00 0.00 174.62 175.88 3khd h ARG 336 N -0.07 1.24 -0.95 3.99 -0.00 -2.01 -2.26 114.38 114.32 3khd h ARG 336 Ca -0.45 -0.07 -0.00 0.00 -0.00 0.00 0.00 59.98 59.45 3khd h ARG 336 Cb 1.21 -0.28 -0.05 0.00 -0.00 0.00 0.00 29.97 30.86 3khd h ARG 336 CO 0.58 0.82 0.58 0.00 -0.00 0.00 0.00 179.97 181.95 3khd h ALA 337 N 1.38 1.22 -0.63 0.08 0.00 -2.00 -2.60 119.26 116.72 3khd h ALA 337 Ca 0.38 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 3khd h ALA 337 Cb -0.06 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.31 3khd h ALA 337 CO -0.11 0.66 0.24 0.93 0.00 0.00 0.00 179.25 180.98 3khd h GLU 338 N 1.31 0.92 0.04 0.00 5.08 -1.69 -2.02 114.58 118.22 3khd h GLU 338 Ca 0.34 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3khd h GLU 338 Cb -0.07 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.03 3khd h GLU 338 CO -0.07 0.76 -0.02 0.28 -1.00 0.00 0.00 179.01 178.96 3khd h VAL 339 N 0.90 1.20 0.00 3.13 2.07 -1.18 -2.46 116.25 119.90 3khd h VAL 339 Ca 0.21 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 3khd h VAL 339 Cb 0.19 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 3khd h VAL 339 CO -0.02 0.19 -0.19 0.71 0.02 0.00 0.00 177.57 178.28 3khd h THR 340 N -0.37 0.59 -0.33 2.57 1.35 -1.46 -0.15 112.91 115.12 3khd h THR 340 Ca -0.00 -0.89 -0.07 0.00 -0.55 0.00 0.00 66.41 64.90 3khd h THR 340 Cb 0.34 1.58 -0.01 0.00 -1.73 0.00 0.00 68.15 68.34 3khd h THR 340 CO 0.01 0.19 -0.05 -0.78 -0.25 0.00 0.00 175.52 174.63 3khd h ASP 341 N 0.00 0.61 -0.19 5.36 3.58 -1.29 -1.00 116.42 123.48 3khd h ASP 341 Ca -0.00 -0.35 -0.01 0.00 0.42 0.00 0.00 57.03 57.09 3khd h ASP 341 Cb 0.57 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 3khd h ASP 341 CO 0.02 0.81 0.09 0.58 -2.88 0.00 0.00 179.24 177.87 3khd h VAL 342 N 0.40 1.14 -0.36 2.25 2.07 -0.91 -2.52 116.25 118.31 3khd h VAL 342 Ca 0.09 -0.40 0.07 0.00 0.82 0.00 0.00 66.70 67.28 3khd h VAL 342 Cb 0.53 1.05 -0.07 0.00 -1.52 0.00 0.00 31.29 31.28 3khd h VAL 342 CO 0.03 0.13 -0.10 0.00 0.02 0.00 0.00 177.57 177.65 3khd h ALA 343 N 0.95 0.23 -0.19 1.67 0.00 -0.96 -1.72 119.26 119.23 3khd h ALA 343 Ca 0.07 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3khd h ALA 343 Cb 0.13 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3khd h ALA 343 CO -0.01 -0.46 -0.09 -0.91 0.00 0.00 0.00 179.25 177.78 3khd h ASN 344 N -0.01 0.28 -0.30 0.00 2.35 -1.15 -1.03 115.58 115.72 3khd h ASN 344 Ca 0.18 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3khd h ASN 344 Cb 0.28 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 3khd h ASN 344 CO -0.38 0.41 0.14 0.00 -1.65 0.00 0.00 177.43 175.95 3khd h ALA 345 N 1.63 0.38 -0.44 -0.83 0.00 -0.88 0.31 119.26 119.43 3khd h ALA 345 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3khd h ALA 345 Cb 0.34 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3khd h ALA 345 CO 0.02 -0.05 0.29 0.28 0.00 0.00 0.00 179.25 179.79 3khd h VAL 346 N 0.35 1.11 0.00 0.00 2.07 -1.00 -2.82 116.25 115.97 3khd h VAL 346 Ca 0.10 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3khd h VAL 346 Cb 0.12 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 3khd h VAL 346 CO -0.01 0.11 0.00 -0.07 0.02 0.00 0.00 177.57 177.62 3khd h LEU 347 N 0.60 0.00 -1.43 2.57 3.38 -0.94 -1.56 115.31 117.93 3khd h LEU 347 Ca 0.16 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 3khd h LEU 347 Cb -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3khd h LEU 347 CO -0.03 0.00 -0.25 0.44 0.09 0.00 0.00 178.44 178.69 3khd h ASP 348 N 0.00 0.00 0.00 -0.43 3.32 -0.13 -2.06 116.42 117.11 3khd h ASP 348 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3khd h ASP 348 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3khd h ASP 348 CO 0.00 0.25 0.00 0.61 -1.72 0.00 0.00 179.24 178.38 3khd n GLY 349 N -0.32 1.77 3.77 2.75 0.00 -0.59 -3.88 105.19 108.69 3khd n GLY 349 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3khd n GLY 349 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3khd s THR 350 N -2.00 3.57 0.06 2.61 -1.32 -1.15 -4.87 115.64 112.53 3khd s THR 350 Ca 0.00 1.39 -0.13 0.00 -1.21 0.00 0.00 61.69 61.74 3khd s THR 350 Cb 0.00 -3.81 -0.29 0.00 -1.51 0.00 0.00 72.50 66.88 3khd s THR 350 CO 0.00 0.19 1.10 0.44 -2.21 0.00 0.00 174.62 174.15 3khd h ASP 351 N 3.17 0.82 -4.63 8.08 3.32 -1.75 -3.46 116.42 121.97 3khd h ASP 351 Ca -0.47 -0.78 -0.32 0.00 0.02 0.00 0.00 57.03 55.48 3khd h ASP 351 Cb 1.21 -0.26 -0.21 0.00 0.22 0.00 0.00 39.33 40.30 3khd h ASP 351 CO 0.65 1.59 -0.75 0.00 -1.72 0.00 0.00 179.24 179.01 3khd s VAL 353 N -1.55 3.40 -0.02 0.00 -7.23 -0.17 -1.01 120.40 113.82 3khd s VAL 353 Ca -0.05 -1.91 0.04 0.00 -1.81 0.00 0.00 61.98 58.25 3khd s VAL 353 Cb -0.09 -2.81 -0.01 0.00 0.56 0.00 0.00 36.38 34.04 3khd s VAL 353 CO 0.01 -0.35 -0.12 -0.32 -0.31 0.00 0.00 175.10 174.00 3khd s MET 354 N -3.59 1.10 -0.18 4.82 1.75 -0.73 -0.51 119.30 121.96 3khd s MET 354 Ca 0.31 -0.43 -0.06 0.00 -1.25 0.00 0.00 55.69 54.25 3khd s MET 354 Cb -0.07 -1.04 -0.04 0.00 2.84 0.00 0.00 34.83 36.53 3khd s MET 354 CO 0.19 0.23 0.03 -0.51 -0.65 0.00 0.00 175.02 174.31 3khd s LEU 355 N -0.12 3.59 0.00 4.11 1.43 0.05 -4.60 118.68 123.12 3khd s LEU 355 Ca 0.02 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 3khd s LEU 355 Cb -0.07 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.26 3khd s LEU 355 CO 0.00 0.15 0.00 -1.20 0.23 0.00 0.00 176.35 175.54 3khd n SER 356 N 3.65 0.00 0.23 2.29 7.64 -1.26 -1.66 113.62 124.51 3khd n SER 356 Ca -0.17 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.83 3khd n SER 356 Cb 0.52 0.00 0.41 0.00 -1.01 0.00 0.00 64.21 64.13 3khd n SER 356 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3khd h GLY 357 N 0.00 0.00 1.07 0.23 0.00 -1.97 -2.70 103.07 99.70 3khd h GLY 357 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3khd h GLY 357 CO 0.00 0.00 0.51 0.83 0.00 0.00 0.00 176.54 177.88 3khd h GLU 358 N 0.00 1.23 0.01 4.80 3.07 -1.89 -2.21 114.58 119.58 3khd h GLU 358 Ca -0.00 -0.13 -0.36 0.00 -0.50 0.00 0.00 59.36 58.37 3khd h GLU 358 Cb 0.81 -0.25 -0.06 0.00 -0.84 0.00 0.00 28.75 28.41 3khd h GLU 358 CO 0.02 0.88 -2.25 0.25 -1.40 0.00 0.00 179.01 176.51 3khd n THR 359 N -4.34 1.47 0.04 1.13 -2.24 -1.23 -3.72 114.28 105.39 3khd n THR 359 Ca 0.10 -0.79 -0.09 0.00 -2.27 0.00 0.00 64.05 61.00 3khd n THR 359 Cb 0.08 -0.80 -0.06 0.00 -2.10 0.00 0.00 70.33 67.45 3khd n THR 359 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3khd h ALA 360 N 0.79 -0.20 -0.48 6.98 0.00 -1.31 -3.32 119.26 121.72 3khd h ALA 360 Ca -0.50 -0.21 -0.30 0.00 0.00 0.00 0.00 54.91 53.91 3khd h ALA 360 Cb 2.14 0.08 -0.40 0.00 0.00 0.00 0.00 17.79 19.60 3khd h ALA 360 CO 0.02 -0.24 -1.06 0.41 0.00 0.00 0.00 179.25 178.38 3khd n GLY 361 N 0.90 2.64 3.73 0.00 0.00 -0.89 -0.90 105.19 110.66 3khd n GLY 361 Ca -0.07 -1.36 -0.23 0.00 0.00 0.00 0.00 46.02 44.37 3khd n GLY 361 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3khd s GLY 362 N -3.75 1.55 0.30 -0.02 0.00 -0.88 -4.95 107.32 99.57 3khd s GLY 362 Ca 0.32 -1.52 0.13 0.00 0.00 0.00 0.00 44.72 43.65 3khd s GLY 362 CO -0.03 -1.57 1.64 0.50 0.00 0.00 0.00 173.10 173.64 3khd h LYS 363 N 1.78 0.00 -2.62 2.90 6.56 -1.48 -3.38 116.57 120.34 3khd h LYS 363 Ca -0.46 0.00 -0.60 0.00 -1.06 0.00 0.00 60.65 58.52 3khd h LYS 363 Cb 1.24 0.00 -0.41 0.00 -0.57 0.00 0.00 32.23 32.49 3khd h LYS 363 CO 0.60 0.54 -0.74 1.19 -2.06 0.00 0.00 179.45 178.99 3khd n PHE 364 N -3.67 1.87 0.05 -1.35 0.99 -1.26 -4.95 117.46 109.14 3khd n PHE 364 Ca -0.01 -3.95 -0.20 0.00 -0.00 0.00 0.00 57.45 53.29 3khd n PHE 364 Cb 0.59 -0.35 -0.13 0.00 -1.00 0.00 0.00 39.48 38.59 3khd n PHE 364 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 3khd h PRO 365 N 5.07 0.45 -0.64 -1.08 0.13 -1.75 -2.87 132.00 131.31 3khd h PRO 365 Ca 0.18 -0.61 -0.07 0.00 -0.87 0.00 0.00 66.00 64.63 3khd h PRO 365 Cb 0.79 0.20 -0.03 0.00 0.13 0.00 0.00 31.00 32.10 3khd h PRO 365 CO 0.62 1.25 0.12 0.28 -0.23 0.00 0.00 178.00 180.05 3khd h VAL 366 N -0.06 1.26 -0.26 1.56 2.07 -1.92 -2.95 116.25 115.95 3khd h VAL 366 Ca -0.14 -0.99 -0.12 0.00 0.82 0.00 0.00 66.70 66.27 3khd h VAL 366 Cb 1.65 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 3khd h VAL 366 CO 0.18 0.37 -0.35 -0.33 0.02 0.00 0.00 177.57 177.46 3khd h GLU 367 N 0.98 0.56 -0.36 1.57 4.39 -1.96 -1.87 114.58 117.89 3khd h GLU 367 Ca 0.20 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 3khd h GLU 367 Cb 0.40 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 3khd h GLU 367 CO 0.01 0.83 0.11 0.00 -1.16 0.00 0.00 179.01 178.80 3khd h ALA 368 N 1.15 0.48 -0.35 3.43 0.00 -1.34 -2.40 119.26 120.22 3khd h ALA 368 Ca 0.05 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 3khd h ALA 368 Cb 0.83 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3khd h ALA 368 CO 0.07 0.13 -0.25 0.28 0.00 0.00 0.00 179.25 179.48 3khd h VAL 369 N 0.44 1.27 0.05 0.00 2.07 -1.47 -2.38 116.25 116.23 3khd h VAL 369 Ca 0.12 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.28 3khd h VAL 369 Cb 0.27 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3khd h VAL 369 CO -0.00 0.44 -0.03 0.74 0.02 0.00 0.00 177.57 178.75 3khd h THR 370 N 0.61 0.95 0.00 2.57 2.02 -1.15 -1.37 112.91 116.54 3khd h THR 370 Ca 0.08 -0.02 -0.11 0.00 0.77 0.00 0.00 66.41 67.14 3khd h THR 370 Cb 0.74 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 68.10 3khd h THR 370 CO 0.06 0.00 -0.51 0.16 0.37 0.00 0.00 175.52 175.60 3khd h ILE 371 N -0.08 1.18 0.32 3.11 3.07 -1.48 -2.24 117.51 121.39 3khd h ILE 371 Ca -0.01 -1.86 -0.00 0.00 1.55 0.00 0.00 64.86 64.54 3khd h ILE 371 Cb 0.06 2.06 -0.02 0.00 -0.27 0.00 0.00 36.82 38.65 3khd h ILE 371 CO 0.01 0.50 -0.27 -0.03 -1.05 0.00 0.00 178.15 177.31 3khd h MET 372 N 0.00 -0.59 -0.78 0.16 4.05 -1.08 0.32 114.93 117.02 3khd h MET 372 Ca -0.01 0.04 0.08 0.00 -0.28 0.00 0.00 59.70 59.54 3khd h MET 372 Cb 1.02 0.13 -0.07 0.00 -0.80 0.00 0.00 31.60 31.88 3khd h MET 372 CO 0.07 -0.39 0.44 0.77 0.23 0.00 0.00 176.91 178.02 3khd h SER 373 N -0.61 0.63 -0.66 1.39 0.02 -1.23 -0.63 113.55 112.46 3khd h SER 373 Ca -0.02 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 3khd h SER 373 Cb 0.54 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 3khd h SER 373 CO -0.03 0.37 0.23 0.11 -1.14 0.00 0.00 176.83 176.37 3khd h LYS 374 N 0.75 1.01 -0.33 3.45 1.57 -0.88 0.96 116.57 123.12 3khd h LYS 374 Ca 0.37 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.89 3khd h LYS 374 Cb 0.31 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3khd h LYS 374 CO -0.23 0.87 0.01 0.82 -0.57 0.00 0.00 179.45 180.35 3khd h ILE 375 N 0.95 1.25 -0.55 1.86 2.04 -0.04 -2.18 117.51 120.84 3khd h ILE 375 Ca 0.22 -0.93 0.07 0.00 1.00 0.00 0.00 64.86 65.22 3khd h ILE 375 Cb 0.27 1.22 -0.06 0.00 -0.74 0.00 0.00 36.82 37.50 3khd h ILE 375 CO -0.01 0.31 0.23 0.00 0.00 0.00 0.00 178.15 178.67 3khd h LEU 377 N 0.42 0.31 -0.01 0.00 3.38 -0.74 -1.23 115.31 117.45 3khd h LEU 377 Ca 0.27 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 3khd h LEU 377 Cb 0.28 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3khd h LEU 377 CO -0.25 0.39 -0.18 -0.08 0.09 0.00 0.00 178.44 178.41 3khd h GLU 378 N 0.33 0.14 -0.08 1.13 4.57 -0.55 -2.91 114.58 117.21 3khd h GLU 378 Ca 0.07 -0.14 -0.09 0.00 -1.18 0.00 0.00 59.36 58.02 3khd h GLU 378 Cb 0.27 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 3khd h GLU 378 CO 0.01 0.86 -0.36 0.00 -1.18 0.00 0.00 179.01 178.34 3khd h ALA 379 N 0.28 1.25 0.00 2.92 0.00 -0.90 -2.89 119.26 119.92 3khd h ALA 379 Ca -0.02 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 3khd h ALA 379 Cb 0.92 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3khd h ALA 379 CO 0.04 0.52 -0.37 0.93 0.00 0.00 0.00 179.25 180.36 3khd h GLU 380 N 0.14 0.00 0.00 0.00 5.08 -1.26 -2.04 114.58 116.49 3khd h GLU 380 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3khd h GLU 380 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3khd h GLU 380 CO 0.05 0.37 0.00 0.00 -1.00 0.00 0.00 179.01 178.44 3khd n ALA 381 N -2.38 1.70 0.03 3.43 0.00 -1.09 -3.13 120.51 119.06 3khd n ALA 381 Ca -0.01 0.07 -0.02 0.00 0.00 0.00 0.00 53.44 53.48 3khd n ALA 381 Cb 0.44 -1.38 -0.09 0.00 0.00 0.00 0.00 19.45 18.42 3khd n ALA 381 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3khd n ILE 383 N -2.95 0.04 -2.85 0.00 5.41 -1.18 -3.95 119.36 113.88 3khd n ILE 383 Ca -0.10 -0.01 -0.43 0.00 1.00 0.00 0.00 62.75 63.21 3khd n ILE 383 Cb 0.88 -1.63 -0.04 0.00 -0.71 0.00 0.00 39.64 38.15 3khd n ILE 383 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3khd s ASP 384 N 1.15 6.30 0.19 4.38 -1.08 -0.98 -4.90 116.67 121.73 3khd s ASP 384 Ca 0.79 -0.50 -0.03 0.00 -0.52 0.00 0.00 52.55 52.29 3khd s ASP 384 Cb -0.65 -2.43 0.09 0.00 -1.46 0.00 0.00 42.92 38.47 3khd s ASP 384 CO 0.38 -1.26 1.49 1.88 0.52 0.00 0.00 175.17 178.18 3khd h TYR 385 N 9.35 0.69 -0.56 -5.34 -1.99 -1.92 -1.63 116.97 115.58 3khd h TYR 385 Ca -0.27 -0.26 -0.00 0.00 2.00 0.00 0.00 58.73 60.21 3khd h TYR 385 Cb 1.07 -0.13 -0.03 0.00 2.00 0.00 0.00 36.73 39.65 3khd h TYR 385 CO 0.92 0.99 0.34 0.87 -0.00 0.00 0.00 178.16 181.28 3khd h LYS 386 N 0.41 0.75 -0.62 4.88 1.57 -1.95 0.10 116.57 121.72 3khd h LYS 386 Ca 0.00 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 3khd h LYS 386 Cb 1.13 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.26 3khd h LYS 386 CO 0.11 0.54 0.01 1.25 -0.57 0.00 0.00 179.45 180.79 3khd h LEU 387 N 0.75 1.06 0.03 2.94 5.85 -1.95 -2.28 115.31 121.72 3khd h LEU 387 Ca 0.20 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.63 3khd h LEU 387 Cb -0.02 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 3khd h LEU 387 CO -0.04 1.11 -0.11 0.25 -0.34 0.00 0.00 178.44 179.31 3khd h LEU 388 N 0.99 -0.30 -0.20 2.25 6.46 -0.95 -2.14 115.31 121.43 3khd h LEU 388 Ca 0.18 0.04 0.01 0.00 -0.12 0.00 0.00 57.88 57.98 3khd h LEU 388 Cb 0.56 0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.59 3khd h LEU 388 CO 0.03 -0.16 0.12 0.22 -0.62 0.00 0.00 178.44 178.03 3khd h TYR 389 N -0.20 0.22 0.06 1.25 3.20 -0.92 -2.40 116.97 118.19 3khd h TYR 389 Ca 0.03 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 3khd h TYR 389 Cb 0.23 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 3khd h TYR 389 CO -0.15 0.14 -0.04 1.96 -1.64 0.00 0.00 178.16 178.43 3khd h GLN 390 N 0.25 -0.09 0.00 1.82 4.20 -1.33 -1.68 115.11 118.28 3khd h GLN 390 Ca 0.07 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 3khd h GLN 390 Cb -0.01 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 3khd h GLN 390 CO -0.03 -0.06 -0.09 0.66 -0.67 0.00 0.00 178.83 178.64 3khd h SER 391 N -0.09 0.00 0.23 1.46 4.64 -1.38 0.13 113.55 118.54 3khd h SER 391 Ca -0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 3khd h SER 391 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3khd h SER 391 CO 0.01 0.09 -0.11 -0.07 -0.87 0.00 0.00 176.83 175.88 3khd h LEU 392 N 0.00 -0.26 -1.42 5.97 3.38 -1.12 -2.98 115.31 118.88 3khd h LEU 392 Ca -0.00 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3khd h LEU 392 Cb 0.52 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 3khd h LEU 392 CO 0.01 0.17 0.38 0.58 0.09 0.00 0.00 178.44 179.68 3khd h VAL 393 N -0.75 1.15 0.00 1.22 2.07 -0.79 0.63 116.25 119.78 3khd h VAL 393 Ca -0.03 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 3khd h VAL 393 Cb 0.50 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3khd h VAL 393 CO 0.05 0.15 -0.13 0.78 0.02 0.00 0.00 177.57 178.44 3khd h ASN 394 N 0.80 0.00 0.00 0.57 2.35 -0.84 -3.32 115.58 115.13 3khd h ASN 394 Ca 0.21 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.67 3khd h ASN 394 Cb -0.09 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.23 3khd h ASN 394 CO -0.05 0.13 -2.09 0.00 -1.65 0.00 0.00 177.43 173.77 3khd n ALA 395 N -2.17 1.60 -1.42 -0.83 0.00 -0.74 -5.08 120.51 111.88 3khd n ALA 395 Ca 0.00 -1.01 -0.33 0.00 0.00 0.00 0.00 53.44 52.11 3khd n ALA 395 Cb 0.38 -0.06 0.06 0.00 0.00 0.00 0.00 19.45 19.84 3khd n ALA 395 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3khd s ILE 396 N -2.39 3.16 -0.00 0.00 1.01 0.14 -5.10 121.20 118.02 3khd s ILE 396 Ca -0.12 0.50 -0.03 0.00 0.00 0.00 0.00 60.65 61.00 3khd s ILE 396 Cb 0.05 -3.00 -0.02 0.00 0.01 0.00 0.00 42.46 39.51 3khd s ILE 396 CO 0.61 -0.38 -0.08 0.41 0.00 0.00 0.00 174.94 175.51 3khd n THR 398 N -2.76 0.86 -3.83 2.92 -1.04 -1.26 -5.09 114.28 104.08 3khd n THR 398 Ca 0.10 0.16 -0.37 0.00 -2.04 0.00 0.00 64.05 61.91 3khd n THR 398 Cb 0.52 -1.67 -0.06 0.00 -1.82 0.00 0.00 70.33 67.29 3khd n THR 398 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3khd s PRO 399 N -2.15 3.63 0.18 -2.82 0.05 -1.26 -5.12 135.00 127.52 3khd s PRO 399 Ca -0.07 -0.12 0.08 0.00 0.05 0.00 0.00 61.00 60.94 3khd s PRO 399 Cb 0.02 -3.24 -0.04 0.00 0.05 0.00 0.00 34.50 31.28 3khd s PRO 399 CO 0.10 0.66 -0.16 0.96 0.05 0.00 0.00 177.00 178.61 3khd s ILE 400 N -0.71 1.78 0.89 0.56 -4.36 -1.26 -5.15 121.20 112.95 3khd s ILE 400 Ca 0.14 -2.05 -0.11 0.00 -0.26 0.00 0.00 60.65 58.36 3khd s ILE 400 Cb -0.12 -1.93 0.12 0.00 1.25 0.00 0.00 42.46 41.79 3khd s ILE 400 CO 0.03 -0.45 1.09 -0.94 0.24 0.00 0.00 174.94 174.91 3khd s SER 401 N -2.97 3.52 0.18 4.36 1.04 -1.26 -4.85 113.70 113.72 3khd s SER 401 Ca 0.19 1.57 -0.12 0.00 0.48 0.00 0.00 55.95 58.06 3khd s SER 401 Cb -0.03 -2.24 0.10 0.00 0.10 0.00 0.00 66.02 63.94 3khd s SER 401 CO 0.07 -2.62 1.81 0.58 0.98 0.00 0.00 173.24 174.05 3khd h VAL 402 N -1.54 1.19 -0.96 5.02 2.07 -2.01 -1.58 116.25 118.45 3khd h VAL 402 Ca -0.49 -0.46 0.09 0.00 0.82 0.00 0.00 66.70 66.67 3khd h VAL 402 Cb 1.28 0.37 -0.07 0.00 -1.52 0.00 0.00 31.29 31.34 3khd h VAL 402 CO 0.53 0.20 0.61 1.56 0.02 0.00 0.00 177.57 180.50 3khd h GLN 403 N 0.84 0.98 0.01 1.57 7.50 -1.93 -0.21 115.11 123.87 3khd h GLN 403 Ca 0.22 -0.06 -0.19 0.00 0.50 0.00 0.00 58.65 59.12 3khd h GLN 403 Cb 0.01 -0.22 -0.02 0.00 0.05 0.00 0.00 27.48 27.30 3khd h GLN 403 CO -0.04 0.65 -0.87 1.49 -1.50 0.00 0.00 178.83 178.56 3khd h GLU 404 N 1.01 0.11 -0.47 1.46 4.81 -1.82 -1.49 114.58 118.18 3khd h GLU 404 Ca 0.44 -0.13 -0.13 0.00 -0.13 0.00 0.00 59.36 59.42 3khd h GLU 404 Cb 0.35 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 3khd h GLU 404 CO -0.20 0.91 -0.22 0.00 -0.73 0.00 0.00 179.01 178.77 3khd h ALA 405 N 1.05 0.72 -0.43 2.92 0.00 -0.68 -0.53 119.26 122.31 3khd h ALA 405 Ca -0.03 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.39 3khd h ALA 405 Cb 1.51 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 3khd h ALA 405 CO 0.12 0.67 -0.13 0.28 0.00 0.00 0.00 179.25 180.19 3khd h VAL 406 N 0.84 1.26 -0.74 0.00 2.07 -1.00 -0.54 116.25 118.14 3khd h VAL 406 Ca 0.11 -1.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.42 3khd h VAL 406 Cb 0.79 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 3khd h VAL 406 CO 0.07 0.41 0.44 0.00 0.02 0.00 0.00 177.57 178.51 3khd h ALA 407 N 1.15 0.95 -0.11 1.67 0.00 -1.04 -0.15 119.26 121.74 3khd h ALA 407 Ca 0.11 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3khd h ALA 407 Cb 0.62 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3khd h ALA 407 CO 0.04 0.42 0.06 0.00 0.00 0.00 0.00 179.25 179.78 3khd h ARG 408 N 1.02 0.15 -0.75 0.00 3.08 -0.76 -2.08 114.38 115.03 3khd h ARG 408 Ca 0.27 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.40 3khd h ARG 408 Cb -0.03 -0.03 -0.08 0.00 0.08 0.00 0.00 29.97 29.92 3khd h ARG 408 CO -0.05 0.16 0.38 0.77 -1.07 0.00 0.00 179.97 180.16 3khd h SER 409 N 0.10 0.49 -0.42 7.04 0.02 -0.75 -0.11 113.55 119.92 3khd h SER 409 Ca 0.04 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.07 3khd h SER 409 Cb 0.05 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 3khd h SER 409 CO -0.01 0.27 0.25 0.00 -1.14 0.00 0.00 176.83 176.20 3khd h ALA 410 N 1.46 0.53 -0.51 3.77 0.00 -0.81 0.21 119.26 123.91 3khd h ALA 410 Ca 0.37 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.16 3khd h ALA 410 Cb 0.41 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3khd h ALA 410 CO -0.28 -0.07 -0.13 0.28 0.00 0.00 0.00 179.25 179.04 3khd h VAL 411 N 0.51 1.27 -0.26 0.00 2.07 -0.73 -1.87 116.25 117.23 3khd h VAL 411 Ca 0.17 -1.28 -0.17 0.00 0.82 0.00 0.00 66.70 66.23 3khd h VAL 411 Cb 0.00 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 3khd h VAL 411 CO -0.07 0.45 -0.50 -0.33 0.02 0.00 0.00 177.57 177.14 3khd h GLU 412 N 0.87 0.79 -0.39 1.57 5.08 -0.83 -2.23 114.58 119.43 3khd h GLU 412 Ca 0.13 -0.51 -0.14 0.00 -1.00 0.00 0.00 59.36 57.85 3khd h GLU 412 Cb 0.69 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 3khd h GLU 412 CO 0.05 1.13 -0.30 1.15 -1.00 0.00 0.00 179.01 180.05 3khd h THR 413 N 0.54 1.27 -0.95 1.13 2.02 -0.98 -0.70 112.91 115.26 3khd h THR 413 Ca 0.01 -1.45 0.06 0.00 0.77 0.00 0.00 66.41 65.80 3khd h THR 413 Cb 1.10 1.29 -0.06 0.00 -1.74 0.00 0.00 68.15 68.74 3khd h THR 413 CO 0.11 0.49 0.62 0.00 0.37 0.00 0.00 175.52 177.10 3khd h ALA 414 N 0.93 1.45 -0.13 6.16 0.00 -1.27 0.05 119.26 126.45 3khd h ALA 414 Ca 0.08 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 3khd h ALA 414 Cb 0.85 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3khd h ALA 414 CO 0.07 0.42 -0.59 0.93 0.00 0.00 0.00 179.25 180.08 3khd h GLU 415 N 1.12 0.43 -0.13 0.00 4.39 -1.09 -1.47 114.58 117.82 3khd h GLU 415 Ca 0.40 -0.28 -0.05 0.00 0.34 0.00 0.00 59.36 59.77 3khd h GLU 415 Cb 0.15 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 3khd h GLU 415 CO -0.15 0.89 -0.10 1.03 -1.16 0.00 0.00 179.01 179.52 3khd h SER 416 N 0.32 0.32 0.02 1.42 0.87 -0.19 -3.26 113.55 113.05 3khd h SER 416 Ca -0.00 -0.45 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 3khd h SER 416 Cb 1.12 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 3khd h SER 416 CO 0.10 0.71 -0.16 2.30 -0.53 0.00 0.00 176.83 179.25 3khd n ILE 417 N -4.62 0.00 -3.47 2.23 -5.35 -0.09 -4.98 119.36 103.08 3khd n ILE 417 Ca -0.06 -0.33 -0.20 0.00 -0.27 0.00 0.00 62.75 61.89 3khd n ILE 417 Cb 0.32 1.05 0.06 0.00 -1.74 0.00 0.00 39.64 39.33 3khd n ILE 417 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3khd n GLN 418 N 0.44 -3.43 -1.89 6.28 1.13 -0.65 -4.90 117.38 114.36 3khd n GLN 418 Ca 0.14 0.73 -0.35 0.00 -1.94 0.00 0.00 57.00 55.58 3khd n GLN 418 Cb 0.47 -5.35 0.04 0.00 0.11 0.00 0.00 30.24 25.51 3khd n GLN 418 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3khd s ALA 419 N -3.46 2.47 0.11 -1.58 0.00 -0.65 -4.75 121.76 113.90 3khd s ALA 419 Ca 0.28 0.84 0.06 0.00 0.00 0.00 0.00 51.96 53.14 3khd s ALA 419 Cb -0.06 -3.41 -0.22 0.00 0.00 0.00 0.00 23.12 19.44 3khd s ALA 419 CO 0.78 -1.25 1.24 0.77 0.00 0.00 0.00 175.76 177.30 3khd h SER 420 N 0.52 0.03 -4.59 0.00 0.02 -1.68 -3.44 113.55 104.41 3khd h SER 420 Ca -0.49 -0.04 -0.14 0.00 -0.84 0.00 0.00 61.79 60.29 3khd h SER 420 Cb 1.28 -0.01 -0.22 0.00 0.14 0.00 0.00 62.40 63.59 3khd h SER 420 CO 0.54 1.03 -0.38 -0.76 -1.14 0.00 0.00 176.83 176.12 3khd s LEU 421 N -6.71 1.10 -0.33 5.07 1.43 -1.26 -3.77 118.68 114.21 3khd s LEU 421 Ca 0.00 0.15 -0.09 0.00 -1.03 0.00 0.00 54.13 53.17 3khd s LEU 421 Cb 0.10 0.98 0.01 0.00 0.03 0.00 0.00 46.19 47.30 3khd s LEU 421 CO 0.82 -0.30 0.15 -0.63 0.23 0.00 0.00 176.35 176.62 3khd s ILE 422 N -0.84 4.41 -0.25 -0.59 1.01 -0.74 -1.77 121.20 122.44 3khd s ILE 422 Ca -0.09 -0.65 -0.21 0.00 0.00 0.00 0.00 60.65 59.70 3khd s ILE 422 Cb -0.05 -3.33 -0.02 0.00 0.01 0.00 0.00 42.46 39.07 3khd s ILE 422 CO 0.02 -0.04 0.65 -0.63 0.00 0.00 0.00 174.94 174.95 3khd s ILE 423 N 1.56 4.97 -0.31 2.92 1.01 0.31 -0.32 121.20 131.33 3khd s ILE 423 Ca 0.03 1.19 -0.01 0.00 0.00 0.00 0.00 60.65 61.86 3khd s ILE 423 Cb -0.18 -3.96 0.06 0.00 0.01 0.00 0.00 42.46 38.40 3khd s ILE 423 CO 0.05 0.02 0.01 0.00 0.00 0.00 0.00 174.94 175.03 3khd s ALA 424 N 2.51 2.83 -0.12 9.38 0.00 0.77 -0.50 121.76 136.62 3khd s ALA 424 Ca 0.27 -1.93 -0.29 0.00 0.00 0.00 0.00 51.96 50.01 3khd s ALA 424 Cb -0.15 -1.95 -0.01 0.00 0.00 0.00 0.00 23.12 21.00 3khd s ALA 424 CO 0.08 -1.37 1.02 -0.51 0.00 0.00 0.00 175.76 174.99 3khd s LEU 425 N 1.19 4.23 -0.22 0.00 1.43 -0.74 -1.15 118.68 123.42 3khd s LEU 425 Ca -0.03 1.52 -0.10 0.00 -1.03 0.00 0.00 54.13 54.49 3khd s LEU 425 Cb -0.20 -3.55 0.08 0.00 0.03 0.00 0.00 46.19 42.55 3khd s LEU 425 CO -0.03 -0.49 0.50 0.28 0.23 0.00 0.00 176.35 176.84 3khd s THR 426 N 2.20 -0.36 -0.09 5.49 -1.32 -0.18 -4.48 115.64 116.91 3khd s THR 426 Ca 0.48 0.09 -0.16 0.00 -1.21 0.00 0.00 61.69 60.89 3khd s THR 426 Cb -0.18 -0.75 -0.28 0.00 -1.51 0.00 0.00 72.50 69.78 3khd s THR 426 CO 0.16 0.04 0.61 -0.08 -2.21 0.00 0.00 174.62 173.14 3khd h GLU 427 N 7.56 0.27 0.01 7.08 4.57 -1.95 -3.36 114.58 128.77 3khd h GLU 427 Ca -0.26 -0.46 -0.32 0.00 -1.18 0.00 0.00 59.36 57.14 3khd h GLU 427 Cb 1.16 0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 29.87 3khd h GLU 427 CO 0.19 1.22 -1.92 0.25 -1.18 0.00 0.00 179.01 177.57 3khd n THR 428 N -3.90 1.58 0.00 0.32 -2.24 -1.26 -4.61 114.28 104.17 3khd n THR 428 Ca -0.24 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.76 3khd n THR 428 Cb 0.92 -1.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 3khd n THR 428 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3khd n GLY 429 N 1.68 1.04 0.28 3.38 0.00 -1.26 -4.74 105.19 105.56 3khd n GLY 429 Ca -0.23 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 3khd n GLY 429 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3khd h TYR 430 N 0.00 -0.64 -0.75 1.61 3.20 -1.93 -0.50 116.97 117.95 3khd h TYR 430 Ca 0.00 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.93 3khd h TYR 430 Cb 0.00 0.26 -0.05 0.00 1.54 0.00 0.00 36.73 38.48 3khd h TYR 430 CO 0.00 -0.35 0.45 1.15 -1.64 0.00 0.00 178.16 177.77 3khd h THR 431 N -0.49 1.04 -0.71 1.81 2.02 -1.93 -0.16 112.91 114.49 3khd h THR 431 Ca 0.01 -0.29 -0.07 0.00 0.77 0.00 0.00 66.41 66.83 3khd h THR 431 Cb 0.48 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 3khd h THR 431 CO -0.09 0.16 0.17 0.00 0.37 0.00 0.00 175.52 176.13 3khd h ALA 432 N 1.35 0.95 -0.62 6.16 0.00 -1.83 -2.49 119.26 122.79 3khd h ALA 432 Ca 0.32 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3khd h ALA 432 Cb 0.12 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3khd h ALA 432 CO -0.15 0.67 0.24 0.00 0.00 0.00 0.00 179.25 180.00 3khd h ARG 433 N 1.08 0.93 -0.04 0.00 3.08 -0.35 -1.31 114.38 117.77 3khd h ARG 433 Ca 0.22 -0.18 0.02 0.00 0.07 0.00 0.00 59.98 60.12 3khd h ARG 433 Cb 0.38 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 3khd h ARG 433 CO 0.00 0.80 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.52 3khd h LEU 434 N 0.87 -0.33 0.04 3.04 3.38 -0.80 -1.74 115.31 119.77 3khd h LEU 434 Ca 0.21 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 3khd h LEU 434 Cb 0.22 0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3khd h LEU 434 CO -0.01 -0.16 -0.02 0.40 0.09 0.00 0.00 178.44 178.74 3khd h ILE 435 N -0.17 1.04 -0.99 1.22 2.04 -1.40 -3.00 117.51 116.26 3khd h ILE 435 Ca 0.05 -0.25 0.20 0.00 1.00 0.00 0.00 64.86 65.87 3khd h ILE 435 Cb 0.24 1.21 -0.10 0.00 -0.74 0.00 0.00 36.82 37.44 3khd h ILE 435 CO -0.14 0.06 0.62 0.00 0.00 0.00 0.00 178.15 178.69 3khd h ALA 436 N 0.80 1.82 -0.73 1.87 0.00 -1.10 0.25 119.26 122.17 3khd h ALA 436 Ca -0.00 0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.08 3khd h ALA 436 Cb 0.14 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3khd h ALA 436 CO 0.01 -0.18 0.48 -0.22 0.00 0.00 0.00 179.25 179.34 3khd h LYS 437 N 0.67 0.54 -0.20 0.00 3.64 -1.16 -1.11 116.57 118.94 3khd h LYS 437 Ca 0.56 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.91 3khd h LYS 437 Cb 1.00 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 3khd h LYS 437 CO -0.34 0.36 0.00 0.66 -2.27 0.00 0.00 179.45 177.86 3khd n TYR 438 N -4.49 0.26 -3.78 1.91 4.02 0.07 -4.94 117.16 110.22 3khd n TYR 438 Ca 0.13 -0.13 -0.30 0.00 -0.01 0.00 0.00 57.90 57.59 3khd n TYR 438 Cb 0.39 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.73 3khd n TYR 438 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3khd n LYS 439 N 0.26 -1.09 -1.31 -0.72 4.01 -0.42 -4.69 118.16 114.20 3khd n LYS 439 Ca 0.14 0.58 -0.32 0.00 -0.51 0.00 0.00 58.31 58.21 3khd n LYS 439 Cb 0.29 -3.06 0.09 0.00 -0.51 0.00 0.00 35.03 31.84 3khd n LYS 439 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 3khd s PRO 440 N -5.65 2.24 0.47 1.97 0.04 -1.26 -4.80 135.00 128.01 3khd s PRO 440 Ca 0.23 1.28 0.27 0.00 0.04 0.00 0.00 61.00 62.82 3khd s PRO 440 Cb -0.11 -1.89 0.89 0.00 0.04 0.00 0.00 34.50 33.43 3khd s PRO 440 CO 0.90 -1.67 1.81 0.66 0.04 0.00 0.00 177.00 178.73 3khd h SER 441 N -0.93 0.00 -2.25 6.66 4.64 -1.92 -3.45 113.55 116.30 3khd h SER 441 Ca -0.44 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.39 3khd h SER 441 Cb 1.24 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.30 3khd h SER 441 CO 0.51 0.09 -0.47 0.00 -0.87 0.00 0.00 176.83 176.09 3khd s THR 443 N -2.00 2.56 -0.31 0.00 2.01 -1.25 -4.77 115.64 111.88 3khd s THR 443 Ca 0.33 0.39 -0.10 0.00 0.31 0.00 0.00 61.69 62.62 3khd s THR 443 Cb -0.09 -3.18 -0.02 0.00 0.01 0.00 0.00 72.50 69.22 3khd s THR 443 CO 0.27 -0.03 0.17 -0.63 -0.69 0.00 0.00 174.62 173.71 3khd s ILE 444 N -1.47 4.78 -0.44 1.82 1.01 0.01 -1.79 121.20 125.12 3khd s ILE 444 Ca 0.72 -0.29 -0.18 0.00 0.00 0.00 0.00 60.65 60.90 3khd s ILE 444 Cb -0.34 -3.41 0.03 0.00 0.01 0.00 0.00 42.46 38.76 3khd s ILE 444 CO 0.39 0.10 0.50 -0.22 0.00 0.00 0.00 174.94 175.71 3khd s LEU 445 N 1.65 4.85 -0.14 2.97 2.96 0.56 -1.50 118.68 130.04 3khd s LEU 445 Ca 0.05 -0.68 -0.14 0.00 -0.22 0.00 0.00 54.13 53.15 3khd s LEU 445 Cb -0.17 -2.45 -0.05 0.00 0.50 0.00 0.00 46.19 44.02 3khd s LEU 445 CO 0.07 -0.67 0.31 0.00 -1.32 0.00 0.00 176.35 174.74 3khd s ALA 446 N 2.32 3.62 -0.14 5.97 0.00 -0.40 -0.16 121.76 132.96 3khd s ALA 446 Ca 0.14 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.69 3khd s ALA 446 Cb -0.17 -2.38 -0.00 0.00 0.00 0.00 0.00 23.12 20.57 3khd s ALA 446 CO 0.14 0.16 -0.17 -0.51 0.00 0.00 0.00 175.76 175.39 3khd s LEU 447 N 0.21 2.42 -0.01 0.00 1.43 -0.30 -1.81 118.68 120.62 3khd s LEU 447 Ca 0.18 -0.47 -0.12 0.00 -1.03 0.00 0.00 54.13 52.68 3khd s LEU 447 Cb -0.13 -1.53 0.02 0.00 0.03 0.00 0.00 46.19 44.57 3khd s LEU 447 CO 0.05 0.11 0.25 -0.55 0.23 0.00 0.00 176.35 176.44 3khd s SER 448 N 0.66 -0.12 0.15 2.29 0.15 -1.13 -1.01 113.70 114.68 3khd s SER 448 Ca -0.09 0.01 0.17 0.00 0.70 0.00 0.00 55.95 56.74 3khd s SER 448 Cb -0.16 0.29 -0.05 0.00 -1.71 0.00 0.00 66.02 64.38 3khd s SER 448 CO 0.02 -0.41 1.03 0.00 1.20 0.00 0.00 173.24 175.09 3khd h ALA 449 N 4.08 0.65 -2.32 5.45 0.00 -1.81 0.20 119.26 125.51 3khd h ALA 449 Ca -0.30 -0.61 -0.55 0.00 0.00 0.00 0.00 54.91 53.46 3khd h ALA 449 Cb 1.18 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3khd h ALA 449 CO 0.40 0.69 0.80 0.45 0.00 0.00 0.00 179.25 181.59 3khd s SER 450 N -5.91 6.93 0.25 0.00 0.15 -1.26 -4.74 113.70 109.13 3khd s SER 450 Ca -0.01 1.95 0.04 0.00 0.70 0.00 0.00 55.95 58.64 3khd s SER 450 Cb 0.08 -2.56 0.30 0.00 -1.71 0.00 0.00 66.02 62.14 3khd s SER 450 CO 0.79 -0.68 1.61 -0.78 1.20 0.00 0.00 173.24 175.38 3khd h ASP 451 N 7.79 0.32 -0.25 5.45 3.58 -1.95 -2.87 116.42 128.48 3khd h ASP 451 Ca -0.35 -0.16 -0.14 0.00 0.42 0.00 0.00 57.03 56.80 3khd h ASP 451 Cb 1.16 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 42.12 3khd h ASP 451 CO 0.90 0.78 -0.37 0.77 -2.88 0.00 0.00 179.24 178.44 3khd h SER 452 N 0.23 0.77 -0.14 2.28 4.64 -1.97 -2.59 113.55 116.77 3khd h SER 452 Ca 0.01 -0.51 0.05 0.00 -0.47 0.00 0.00 61.79 60.86 3khd h SER 452 Cb 0.99 -0.22 -0.05 0.00 -0.31 0.00 0.00 62.40 62.81 3khd h SER 452 CO 0.08 1.13 -0.19 0.74 -0.87 0.00 0.00 176.83 177.73 3khd h THR 453 N 0.42 0.52 -0.86 2.95 2.02 -1.84 0.11 112.91 116.24 3khd h THR 453 Ca 0.02 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.22 3khd h THR 453 Cb 0.96 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 3khd h THR 453 CO 0.09 0.00 0.57 0.58 0.37 0.00 0.00 175.52 177.12 3khd h VAL 454 N -0.23 1.21 0.00 3.16 2.07 -1.52 -1.15 116.25 119.79 3khd h VAL 454 Ca 0.10 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3khd h VAL 454 Cb 0.38 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 3khd h VAL 454 CO -0.28 0.21 -0.30 0.29 0.02 0.00 0.00 177.57 177.51 3khd n LYS 455 N -4.41 0.07 -0.02 1.57 4.01 -0.98 -4.12 118.16 114.29 3khd n LYS 455 Ca 0.10 0.03 -0.20 0.00 -0.51 0.00 0.00 58.31 57.73 3khd n LYS 455 Cb 0.04 -1.55 -0.14 0.00 -0.51 0.00 0.00 35.03 32.86 3khd n LYS 455 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3khd n LEU 457 N -3.41 0.00 0.06 0.00 4.77 -0.54 -2.74 117.00 115.14 3khd n LEU 457 Ca -0.33 0.30 0.15 0.00 -0.03 0.00 0.00 56.01 56.11 3khd n LEU 457 Cb 1.04 -0.30 0.65 0.00 -2.33 0.00 0.00 43.42 42.47 3khd n LEU 457 CO 0.41 -0.29 1.15 0.78 -1.33 0.00 0.00 177.39 178.12 3khd h ASN 458 N 0.00 0.06 1.06 -1.43 2.35 -1.77 -2.47 115.58 113.38 3khd h ASN 458 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 3khd h ASN 458 Cb 0.02 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 3khd h ASN 458 CO 0.00 0.04 -0.13 -0.37 -1.65 0.00 0.00 177.43 175.32 3khd h VAL 459 N 0.07 0.32 -3.41 2.81 -1.51 -1.83 -3.43 116.25 109.26 3khd h VAL 459 Ca 0.18 -0.91 -0.55 0.00 -1.23 0.00 0.00 66.70 64.19 3khd h VAL 459 Cb 0.65 1.71 -0.04 0.00 -2.13 0.00 0.00 31.29 31.48 3khd h VAL 459 CO -0.01 0.13 0.18 -1.00 -1.23 0.00 0.00 177.57 175.64 3khd s HIS 460 N -3.61 3.67 0.59 5.19 3.76 -0.93 -4.46 115.29 119.50 3khd s HIS 460 Ca 0.01 1.45 -0.19 0.00 -0.15 0.00 0.00 55.06 56.19 3khd s HIS 460 Cb 0.09 -2.88 -0.04 0.00 1.11 0.00 0.00 32.58 30.86 3khd s HIS 460 CO 0.61 0.15 1.20 -0.98 -0.85 0.00 0.00 174.74 174.86 3khd s ARG 461 N 0.47 3.00 0.00 1.40 1.70 -1.26 -3.61 118.95 120.65 3khd s ARG 461 Ca 0.41 1.79 0.00 0.00 -0.47 0.00 0.00 55.73 57.46 3khd s ARG 461 Cb -0.20 -1.94 0.00 0.00 -0.57 0.00 0.00 34.95 32.25 3khd s ARG 461 CO 0.22 -1.17 0.00 0.41 -1.08 0.00 0.00 175.30 173.68 3khd n GLY 462 N 0.45 0.45 3.45 3.88 0.00 0.20 -4.96 105.19 108.65 3khd n GLY 462 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 3khd n GLY 462 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3khd s VAL 463 N -2.18 3.93 0.05 1.61 1.01 -1.24 -0.81 120.40 122.76 3khd s VAL 463 Ca 0.00 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 61.71 3khd s VAL 463 Cb 0.00 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 3khd s VAL 463 CO 0.00 0.44 -0.16 0.28 0.00 0.00 0.00 175.10 175.65 3khd s THR 464 N 0.94 1.31 0.10 3.92 -1.32 -0.56 -4.78 115.64 115.24 3khd s THR 464 Ca 0.01 -1.12 0.09 0.00 -1.21 0.00 0.00 61.69 59.47 3khd s THR 464 Cb -0.14 -1.18 -0.04 0.00 -1.51 0.00 0.00 72.50 69.64 3khd s THR 464 CO 0.02 0.04 -0.24 0.00 -2.21 0.00 0.00 174.62 172.23 3khd s ILE 466 N -1.04 1.76 0.09 0.00 1.01 -0.75 -4.86 121.20 117.40 3khd s ILE 466 Ca 0.10 -0.84 -0.30 0.00 0.00 0.00 0.00 60.65 59.61 3khd s ILE 466 Cb -0.10 -1.54 -0.06 0.00 0.01 0.00 0.00 42.46 40.77 3khd s ILE 466 CO 0.04 0.49 1.12 -0.75 0.00 0.00 0.00 174.94 175.85 3khd s LYS 467 N 0.48 4.51 0.27 2.79 2.20 -1.26 -2.85 119.74 125.88 3khd s LYS 467 Ca -0.17 1.68 0.10 0.00 -0.36 0.00 0.00 55.97 57.23 3khd s LYS 467 Cb -0.17 -3.35 -0.05 0.00 -1.51 0.00 0.00 37.83 32.75 3khd s LYS 467 CO 0.07 -0.10 -0.17 0.08 -0.36 0.00 0.00 175.35 174.87 3khd s VAL 468 N 0.61 2.23 0.00 4.02 1.01 0.71 -4.94 120.40 124.05 3khd s VAL 468 Ca 0.54 -2.33 0.00 0.00 0.00 0.00 0.00 61.98 60.20 3khd s VAL 468 Cb -0.28 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.82 3khd s VAL 468 CO 0.31 -0.42 0.00 0.61 0.00 0.00 0.00 175.10 175.60 3khd n GLY 469 N -0.58 0.31 3.57 4.51 0.00 -1.26 -4.00 105.19 107.74 3khd n GLY 469 Ca -0.06 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 3khd n GLY 469 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3khd s SER 470 N -1.00 6.29 -0.21 1.61 0.15 -1.26 -4.76 113.70 114.52 3khd s SER 470 Ca 0.00 -0.02 -0.10 0.00 0.70 0.00 0.00 55.95 56.53 3khd s SER 470 Cb 0.00 -2.55 -0.05 0.00 -1.71 0.00 0.00 66.02 61.71 3khd s SER 470 CO 0.00 -1.64 0.14 0.72 1.20 0.00 0.00 173.24 173.66 3khd s PHE 471 N 5.44 3.37 0.07 3.44 -0.12 -1.26 -4.98 117.98 123.94 3khd s PHE 471 Ca 0.43 0.28 0.09 0.00 -0.05 0.00 0.00 56.93 57.68 3khd s PHE 471 Cb -0.08 -2.20 -0.18 0.00 -0.63 0.00 0.00 43.02 39.93 3khd s PHE 471 CO 0.22 0.20 1.23 -0.56 -0.05 0.00 0.00 175.22 176.27 3khd h GLN 472 N 6.97 0.00 -4.60 1.99 -0.00 -2.04 -3.47 115.11 113.97 3khd h GLN 472 Ca -0.40 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.04 3khd h GLN 472 Cb 1.16 0.00 -0.15 0.00 -0.00 0.00 0.00 27.48 28.49 3khd h GLN 472 CO 0.72 0.88 -0.70 0.20 -0.00 0.00 0.00 178.83 179.93 3khd s GLY 473 N -4.72 0.72 0.34 0.06 0.00 -1.26 -5.05 107.32 97.41 3khd s GLY 473 Ca 0.01 -1.31 0.10 0.00 0.00 0.00 0.00 44.72 43.51 3khd s GLY 473 CO 0.81 -1.41 1.77 -0.91 0.00 0.00 0.00 173.10 173.36 3khd h THR 474 N 3.05 1.29 0.02 0.90 1.35 -2.02 -3.33 112.91 114.16 3khd h THR 474 Ca -0.35 -1.38 0.03 0.00 -0.55 0.00 0.00 66.41 64.16 3khd h THR 474 Cb 1.16 1.67 -0.05 0.00 -1.73 0.00 0.00 68.15 69.20 3khd h THR 474 CO 0.64 0.40 -0.38 -0.78 -0.25 0.00 0.00 175.52 175.15 3khd h ASP 475 N 0.10 -1.15 -0.06 5.36 1.82 -2.00 -2.45 116.42 118.04 3khd h ASP 475 Ca 0.01 0.14 -0.00 0.00 -0.39 0.00 0.00 57.03 56.79 3khd h ASP 475 Cb 0.72 0.45 -0.00 0.00 0.68 0.00 0.00 39.33 41.18 3khd h ASP 475 CO 0.05 -0.44 0.04 0.40 -1.61 0.00 0.00 179.24 177.68 3khd h ILE 476 N -0.55 1.07 -0.62 2.25 2.04 -2.01 -2.75 117.51 116.94 3khd h ILE 476 Ca 0.05 -0.20 -0.06 0.00 1.00 0.00 0.00 64.86 65.66 3khd h ILE 476 Cb 0.62 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 3khd h ILE 476 CO -0.29 0.06 0.16 1.62 0.00 0.00 0.00 178.15 179.71 3khd h VAL 477 N 0.03 1.24 -0.40 1.67 3.04 -1.69 -1.25 116.25 118.88 3khd h VAL 477 Ca 0.02 -0.87 -0.05 0.00 -1.01 0.00 0.00 66.70 64.79 3khd h VAL 477 Cb 0.06 0.59 -0.02 0.00 -2.01 0.00 0.00 31.29 29.92 3khd h VAL 477 CO -0.00 0.33 0.04 0.40 -1.01 0.00 0.00 177.57 177.33 3khd h ILE 478 N 0.93 1.25 -0.67 3.17 2.04 -1.43 -1.69 117.51 121.10 3khd h ILE 478 Ca 0.20 -0.92 -0.08 0.00 1.00 0.00 0.00 64.86 65.07 3khd h ILE 478 Cb 0.31 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 3khd h ILE 478 CO -0.00 0.31 0.11 -0.09 0.00 0.00 0.00 178.15 178.48 3khd h ARG 479 N 0.53 1.11 -0.14 2.37 2.43 -1.19 -1.46 114.38 118.03 3khd h ARG 479 Ca 0.12 -0.30 -0.09 0.00 -0.81 0.00 0.00 59.98 58.91 3khd h ARG 479 Cb 0.40 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 3khd h ARG 479 CO 0.01 1.02 -0.30 -0.91 -1.51 0.00 0.00 179.97 178.28 3khd h ASN 480 N 1.04 0.28 0.51 -3.80 2.35 -1.18 -2.66 115.58 112.12 3khd h ASN 480 Ca 0.21 -0.09 -0.16 0.00 -0.55 0.00 0.00 56.30 55.70 3khd h ASN 480 Cb 0.44 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 3khd h ASN 480 CO 0.01 0.57 -0.70 0.00 -1.65 0.00 0.00 177.43 175.67 3khd h ALA 481 N 1.45 0.77 -0.36 -0.83 0.00 -0.90 -2.83 119.26 116.57 3khd h ALA 481 Ca 0.03 -0.61 -0.11 0.00 0.00 0.00 0.00 54.91 54.23 3khd h ALA 481 Cb 0.66 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3khd h ALA 481 CO 0.05 0.81 -0.19 0.82 0.00 0.00 0.00 179.25 180.74 3khd h ILE 482 N 0.11 1.29 -0.44 0.00 2.04 -1.13 -1.15 117.51 118.23 3khd h ILE 482 Ca -0.02 -1.32 -0.05 0.00 1.00 0.00 0.00 64.86 64.48 3khd h ILE 482 Cb 1.24 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.66 3khd h ILE 482 CO 0.10 0.43 0.08 -0.33 0.00 0.00 0.00 178.15 178.44 3khd h GLU 483 N 0.55 0.67 -0.28 2.37 4.39 -1.46 0.02 114.58 120.83 3khd h GLU 483 Ca 0.08 -0.13 -0.14 0.00 0.34 0.00 0.00 59.36 59.50 3khd h GLU 483 Cb 0.74 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 3khd h GLU 483 CO 0.06 0.63 -0.41 0.82 -1.16 0.00 0.00 179.01 178.94 3khd h ILE 484 N 0.65 1.29 -0.77 3.13 2.04 -1.43 -2.19 117.51 120.22 3khd h ILE 484 Ca 0.14 -1.58 -0.05 0.00 1.00 0.00 0.00 64.86 64.37 3khd h ILE 484 Cb 0.28 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 3khd h ILE 484 CO 0.00 0.51 0.30 0.00 0.00 0.00 0.00 178.15 178.96 3khd h ALA 485 N 0.98 1.00 -0.60 1.87 0.00 -0.48 -0.86 119.26 121.17 3khd h ALA 485 Ca 0.04 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3khd h ALA 485 Cb 0.94 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3khd h ALA 485 CO 0.09 0.63 0.37 0.87 0.00 0.00 0.00 179.25 181.21 3khd h LYS 486 N 1.12 0.81 -0.54 0.00 1.57 -0.93 -0.98 116.57 117.61 3khd h LYS 486 Ca 0.26 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 3khd h LYS 486 Cb 0.23 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3khd h LYS 486 CO -0.02 0.57 0.09 1.96 -0.57 0.00 0.00 179.45 181.47 3khd h GLN 487 N 0.81 0.85 -0.21 3.15 4.20 -1.01 -3.10 115.11 119.80 3khd h GLN 487 Ca 0.22 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3khd h GLN 487 Cb -0.04 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.63 3khd h GLN 487 CO -0.04 0.80 0.00 0.54 -0.67 0.00 0.00 178.83 179.46 3khd n ARG 488 N -4.25 1.93 -3.65 1.46 1.74 -0.36 -4.94 116.66 108.59 3khd n ARG 488 Ca 0.04 -1.39 -0.24 0.00 -0.77 0.00 0.00 57.85 55.49 3khd n ARG 488 Cb 0.26 -1.42 0.06 0.00 -1.02 0.00 0.00 32.46 30.34 3khd n ARG 488 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3khd n ASN 489 N 0.62 -4.37 -0.04 0.55 4.05 -0.89 -4.89 115.26 110.30 3khd n ASN 489 Ca 0.17 -0.65 0.03 0.00 0.45 0.00 0.00 54.58 54.57 3khd n ASN 489 Cb 0.40 -4.66 -0.15 0.00 1.23 0.00 0.00 39.78 36.60 3khd n ASN 489 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 177.26 174.44 3khd n MET 490 N -4.65 0.74 -3.87 1.20 2.81 -0.42 -5.00 117.12 107.93 3khd n MET 490 Ca -0.09 -0.12 -0.09 0.00 -1.81 0.00 0.00 57.70 55.59 3khd n MET 490 Cb 0.59 -1.48 -0.07 0.00 -0.71 0.00 0.00 33.22 31.55 3khd n MET 490 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3khd s ALA 491 N -3.04 -0.22 0.14 3.04 0.00 -1.16 -4.80 121.76 115.72 3khd s ALA 491 Ca -0.08 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.26 3khd s ALA 491 Cb 0.10 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.76 3khd s ALA 491 CO 0.81 -0.55 -0.03 0.15 0.00 0.00 0.00 175.76 176.14 3khd s LYS 492 N -3.88 0.99 0.07 0.00 1.02 -1.26 -4.13 119.74 112.55 3khd s LYS 492 Ca 0.08 -1.44 -0.34 0.00 0.02 0.00 0.00 55.97 54.29 3khd s LYS 492 Cb 0.04 -0.25 -0.13 0.00 -0.52 0.00 0.00 37.83 36.97 3khd s LYS 492 CO -0.09 -0.07 1.70 1.33 -0.92 0.00 0.00 175.35 177.30 3khd n VAL 493 N -0.15 0.22 0.00 3.17 0.24 -1.26 -1.52 118.33 119.03 3khd n VAL 493 Ca -0.09 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 3khd n VAL 493 Cb 0.62 -1.68 0.00 0.00 -1.47 0.00 0.00 33.84 31.31 3khd n VAL 493 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3khd n GLY 494 N 3.80 3.16 3.77 7.63 0.00 -0.37 -5.02 105.19 118.15 3khd n GLY 494 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 3khd n GLY 494 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3khd s ASP 495 N -0.97 6.22 0.16 1.61 1.01 -0.58 -4.68 116.67 119.45 3khd s ASP 495 Ca 0.00 2.27 -0.13 0.00 0.71 0.00 0.00 52.55 55.40 3khd s ASP 495 Cb 0.00 -2.60 -0.07 0.00 1.01 0.00 0.00 42.92 41.26 3khd s ASP 495 CO 0.00 -0.88 0.54 -0.94 0.21 0.00 0.00 175.17 174.10 3khd s SER 496 N -1.40 6.75 0.00 0.27 1.04 -1.26 -1.44 113.70 117.66 3khd s SER 496 Ca 0.63 1.01 0.03 0.00 0.48 0.00 0.00 55.95 58.10 3khd s SER 496 Cb -0.28 -2.26 -0.01 0.00 0.10 0.00 0.00 66.02 63.57 3khd s SER 496 CO 0.34 0.06 -0.09 -0.69 0.98 0.00 0.00 173.24 173.84 3khd s VAL 497 N -1.55 0.69 -0.21 5.02 1.01 0.19 -1.68 120.40 123.87 3khd s VAL 497 Ca 0.40 -0.46 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 3khd s VAL 497 Cb -0.14 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 3khd s VAL 497 CO 0.20 0.14 -0.00 -0.63 0.00 0.00 0.00 175.10 174.80 3khd s ILE 498 N -0.33 3.89 -0.10 2.22 1.01 -0.73 -0.77 121.20 126.40 3khd s ILE 498 Ca 0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 60.65 60.33 3khd s ILE 498 Cb -0.04 -2.77 -0.03 0.00 0.01 0.00 0.00 42.46 39.63 3khd s ILE 498 CO -0.00 0.42 -0.04 0.00 0.00 0.00 0.00 174.94 175.32 3khd s ALA 499 N 1.12 3.06 -0.04 9.38 0.00 0.21 0.11 121.76 135.60 3khd s ALA 499 Ca 0.02 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.15 3khd s ALA 499 Cb -0.14 -1.38 0.02 0.00 0.00 0.00 0.00 23.12 21.61 3khd s ALA 499 CO 0.01 0.48 -0.06 -1.50 0.00 0.00 0.00 175.76 174.69 3khd s ILE 500 N -0.51 0.62 -0.03 0.00 2.07 0.34 -0.36 121.20 123.34 3khd s ILE 500 Ca 0.08 -0.20 0.00 0.00 -1.41 0.00 0.00 60.65 59.12 3khd s ILE 500 Cb -0.12 -0.61 0.03 0.00 0.13 0.00 0.00 42.46 41.89 3khd s ILE 500 CO 0.02 0.23 0.02 -2.28 -1.91 0.00 0.00 174.94 171.02 3khd s HIS 501 N 0.67 0.16 -0.30 3.50 5.65 -0.86 -1.79 115.29 122.33 3khd s HIS 501 Ca -0.10 0.07 -0.01 0.00 0.25 0.00 0.00 55.06 55.28 3khd s HIS 501 Cb -0.13 -0.32 0.05 0.00 -1.18 0.00 0.00 32.58 31.00 3khd s HIS 501 CO 0.01 -0.11 -0.01 0.20 -0.65 0.00 0.00 174.74 174.17 3khd s GLY 502 N 1.09 1.75 0.11 1.59 0.00 -1.26 -1.15 107.32 109.44 3khd s GLY 502 Ca -0.09 -1.80 -0.28 0.00 0.00 0.00 0.00 44.72 42.54 3khd s GLY 502 CO -0.02 0.69 1.46 -2.22 0.00 0.00 0.00 173.10 173.01 3khd h ILE 503 N 6.52 0.00 -3.37 0.90 5.03 -1.88 -3.23 117.51 121.48 3khd h ILE 503 Ca -0.20 0.00 -0.72 0.00 -0.12 0.00 0.00 64.86 63.82 3khd h ILE 503 Cb 1.06 0.00 -0.28 0.00 -3.03 0.00 0.00 36.82 34.56 3khd h ILE 503 CO 0.52 0.00 -0.43 -0.54 -0.68 0.00 0.00 178.15 177.03 3khd s LYS 504 N -5.25 2.57 0.00 2.37 3.01 -1.26 -5.04 119.74 116.13 3khd s LYS 504 Ca -0.12 -1.59 0.00 0.00 -1.01 0.00 0.00 55.97 53.24 3khd s LYS 504 Cb 0.07 -3.86 0.00 0.00 -1.01 0.00 0.00 37.83 33.02 3khd s LYS 504 CO 0.52 -1.07 0.70 0.39 0.51 0.00 0.00 175.35 176.40 3khd n GLU 505 N 4.93 0.00 -0.38 1.68 1.02 -1.22 -2.84 120.64 123.82 3khd n GLU 505 Ca -0.09 0.38 0.04 0.00 -0.02 0.00 0.00 57.16 57.46 3khd n GLU 505 Cb 0.42 -1.20 0.19 0.00 -0.02 0.00 0.00 31.44 30.83 3khd n GLU 505 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3khd n GLU 506 N -1.35 2.68 -4.20 3.49 2.13 -1.26 -4.83 120.64 117.30 3khd n GLU 506 Ca 0.00 -1.49 -0.34 0.00 0.66 0.00 0.00 57.16 55.99 3khd n GLU 506 Cb 0.00 -1.75 -0.14 0.00 0.27 0.00 0.00 31.44 29.82 3khd n GLU 506 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3khd s VAL 507 N -1.79 3.33 0.43 6.31 1.01 -1.13 -5.10 120.40 123.47 3khd s VAL 507 Ca 0.26 -0.53 -0.24 0.00 0.00 0.00 0.00 61.98 61.48 3khd s VAL 507 Cb 0.19 -2.48 -0.08 0.00 0.00 0.00 0.00 36.38 34.01 3khd s VAL 507 CO 0.10 0.46 1.17 -0.55 0.00 0.00 0.00 175.10 176.28 3khd s SER 508 N 1.03 6.33 0.00 3.32 0.15 -1.26 -4.02 113.70 119.25 3khd s SER 508 Ca 0.00 2.33 0.00 0.00 0.70 0.00 0.00 55.95 58.98 3khd s SER 508 Cb -0.15 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 3khd s SER 508 CO -0.00 -0.81 0.00 0.61 1.20 0.00 0.00 173.24 174.24 3khd n GLY 509 N 0.53 0.70 1.73 9.45 0.00 -1.26 -5.09 105.19 111.24 3khd n GLY 509 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 3khd n GLY 509 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3khd n GLY 510 N -1.28 -1.44 3.69 -0.02 0.00 -1.26 -5.05 105.19 99.83 3khd n GLY 510 Ca 0.00 -1.66 -0.35 0.00 0.00 0.00 0.00 46.02 44.00 3khd n GLY 510 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3khd s THR 511 N -2.27 5.26 -0.13 2.61 -4.23 -1.26 -5.00 115.64 110.61 3khd s THR 511 Ca 0.34 0.14 -0.04 0.00 -1.18 0.00 0.00 61.69 60.95 3khd s THR 511 Cb -0.01 -3.41 -0.03 0.00 1.34 0.00 0.00 72.50 70.38 3khd s THR 511 CO 0.24 0.41 -0.00 0.20 -0.54 0.00 0.00 174.62 174.93 3khd s ASN 512 N 0.59 5.13 -0.11 3.99 0.01 -1.26 -2.50 114.94 120.79 3khd s ASN 512 Ca 0.07 0.02 0.03 0.00 -0.71 0.00 0.00 52.86 52.27 3khd s ASN 512 Cb -0.12 -1.70 0.01 0.00 0.41 0.00 0.00 41.25 39.85 3khd s ASN 512 CO 0.00 0.25 -0.21 -0.22 -1.51 0.00 0.00 177.10 175.41 3khd s LEU 513 N -0.11 2.00 -0.15 0.60 2.96 -0.30 -5.02 118.68 118.67 3khd s LEU 513 Ca 0.04 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.42 3khd s LEU 513 Cb -0.13 -1.32 -0.01 0.00 0.50 0.00 0.00 46.19 45.24 3khd s LEU 513 CO 0.02 0.10 -0.15 -0.32 -1.32 0.00 0.00 176.35 174.68 3khd s MET 514 N 0.60 3.25 -0.07 1.98 -2.45 -1.26 -2.02 119.30 119.34 3khd s MET 514 Ca -0.13 -0.74 0.01 0.00 -1.25 0.00 0.00 55.69 53.58 3khd s MET 514 Cb -0.17 -2.61 0.02 0.00 1.25 0.00 0.00 34.83 33.32 3khd s MET 514 CO 0.04 0.08 -0.07 0.21 1.05 0.00 0.00 175.02 176.33 3khd s LYS 515 N 0.67 1.22 -0.17 4.11 2.20 0.52 -4.99 119.74 123.30 3khd s LYS 515 Ca -0.08 -0.20 -0.06 0.00 -0.36 0.00 0.00 55.97 55.27 3khd s LYS 515 Cb -0.16 -1.21 -0.04 0.00 -1.51 0.00 0.00 37.83 34.92 3khd s LYS 515 CO 0.02 -0.13 0.03 0.08 -0.36 0.00 0.00 175.35 174.99 3khd s VAL 516 N 1.18 4.44 -0.04 4.02 1.01 -1.26 0.65 120.40 130.40 3khd s VAL 516 Ca -0.06 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.79 3khd s VAL 516 Cb -0.14 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.26 3khd s VAL 516 CO -0.02 0.47 -0.11 -0.69 0.00 0.00 0.00 175.10 174.75 3khd s VAL 517 N 0.41 0.96 -0.13 2.92 1.01 0.05 -4.98 120.40 120.65 3khd s VAL 517 Ca 0.00 -0.44 -0.18 0.00 0.00 0.00 0.00 61.98 61.36 3khd s VAL 517 Cb -0.13 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 3khd s VAL 517 CO 0.01 0.30 0.49 -1.58 0.00 0.00 0.00 175.10 174.32 3khd s GLN 518 N 0.28 4.33 -0.03 2.72 0.74 -1.26 -0.64 119.66 125.80 3khd s GLN 518 Ca -0.06 0.45 -0.30 0.00 0.05 0.00 0.00 55.36 55.51 3khd s GLN 518 Cb -0.11 -3.45 -0.04 0.00 1.10 0.00 0.00 33.01 30.51 3khd s GLN 518 CO 0.01 0.12 1.23 0.42 -0.55 0.00 0.00 175.29 176.52 3khd s ILE 519 N 0.73 4.15 -2.71 -2.34 1.01 -0.52 -4.95 121.20 116.57 3khd s ILE 519 Ca 0.26 1.50 0.26 0.00 0.00 0.00 0.00 60.65 62.67 3khd s ILE 519 Cb -0.15 -3.96 0.40 0.00 0.01 0.00 0.00 42.46 38.75 3khd s ILE 519 CO 0.10 0.01 1.54 -0.62 0.00 0.00 0.00 174.94 175.98