#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 5.17 -2.63 0.00 0.00 -0.62 -4.95 120.51 117.48 3khd n ALA 20 Ca 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 53.44 50.37 3khd n ALA 20 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.28 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 -1.11 3.93 3.77 0.00 0.00 -0.62 -4.75 105.19 106.41 3khd n GLY 21 Ca 0.50 -1.76 -0.38 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.37 3.25 0.49 4.61 0.00 -1.26 -2.65 121.76 123.83 3khd s ALA 22 Ca 0.00 0.78 -0.00 0.00 0.00 0.00 0.00 51.96 52.74 3khd s ALA 22 Cb 0.00 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.84 3khd s ALA 22 CO 0.00 -0.15 0.73 -1.54 0.00 0.00 0.00 175.76 174.80 3khd s SER 23 N -1.23 5.66 0.28 0.00 1.04 -1.26 -4.86 113.70 113.33 3khd s SER 23 Ca 0.50 0.28 -0.01 0.00 0.48 0.00 0.00 55.95 57.21 3khd s SER 23 Cb -0.27 -1.41 0.65 0.00 0.10 0.00 0.00 66.02 65.09 3khd s SER 23 CO 0.34 -0.86 1.62 -0.03 0.98 0.00 0.00 173.24 175.29 3khd h MET 24 N 0.23 0.12 -0.03 4.02 4.05 -1.99 0.11 114.93 121.45 3khd h MET 24 Ca -0.45 -0.01 -0.19 0.00 -0.28 0.00 0.00 59.70 58.77 3khd h MET 24 Cb 1.26 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 32.03 3khd h MET 24 CO 0.57 0.08 -0.81 0.37 0.23 0.00 0.00 176.91 177.35 3khd h GLN 25 N 0.13 0.30 -0.29 0.39 5.75 -1.98 -2.92 115.11 116.48 3khd h GLN 25 Ca 0.52 -0.28 -0.18 0.00 -0.15 0.00 0.00 58.65 58.57 3khd h GLN 25 Cb 1.04 0.07 -0.00 0.00 1.07 0.00 0.00 27.48 29.66 3khd h GLN 25 CO -0.72 0.96 -0.52 0.66 -2.65 0.00 0.00 178.83 176.56 3khd h SER 26 N 0.18 0.92 0.19 -0.69 4.64 -1.45 -2.84 113.55 114.50 3khd h SER 26 Ca -0.04 -0.48 -0.19 0.00 -0.47 0.00 0.00 61.79 60.61 3khd h SER 26 Cb 1.41 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3khd h SER 26 CO 0.13 1.26 -0.75 0.00 -0.87 0.00 0.00 176.83 176.60 3khd h ALA 27 N 0.76 0.53 0.00 5.18 0.00 -0.93 -3.10 119.26 121.70 3khd h ALA 27 Ca 0.02 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.32 3khd h ALA 27 Cb 1.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3khd h ALA 27 CO 0.11 0.75 0.00 0.00 0.00 0.00 0.00 179.25 180.12 3khd h ALA 28 N 0.86 1.00 -0.22 0.00 0.00 -1.55 -2.91 119.26 116.44 3khd h ALA 28 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3khd h ALA 28 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3khd h ALA 28 CO 0.13 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.47 3khd n ASN 29 N -2.40 2.49 -4.67 0.00 3.02 -1.07 -4.92 115.26 107.70 3khd n ASN 29 Ca 0.03 -1.84 -0.44 0.00 -0.03 0.00 0.00 54.58 52.31 3khd n ASN 29 Cb 0.34 -0.14 -0.03 0.00 -0.61 0.00 0.00 39.78 39.34 3khd n ASN 29 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3khd n ILE 30 N 0.88 0.57 -2.42 2.41 -0.00 -1.10 -4.96 119.36 114.74 3khd n ILE 30 Ca 0.17 -0.10 -0.26 0.00 -0.00 0.00 0.00 62.75 62.56 3khd n ILE 30 Cb 0.47 -2.13 0.04 0.00 -0.00 0.00 0.00 39.64 38.01 3khd n ILE 30 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 3khd s THR 31 N 3.66 3.33 0.34 1.39 -4.23 -1.26 -4.99 115.64 113.88 3khd s THR 31 Ca 0.87 -0.14 0.10 0.00 -1.18 0.00 0.00 61.69 61.34 3khd s THR 31 Cb -0.51 -3.33 0.08 0.00 1.34 0.00 0.00 72.50 70.08 3khd s THR 31 CO 0.42 -0.33 1.79 -0.07 -0.54 0.00 0.00 174.62 175.89 3khd h LEU 32 N -0.20 0.14 -1.29 4.79 3.38 -2.00 -3.05 115.31 117.08 3khd h LEU 32 Ca -0.45 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.41 3khd h LEU 32 Cb 1.27 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 3khd h LEU 32 CO 0.60 0.48 -0.25 0.03 0.09 0.00 0.00 178.44 179.39 3khd h ARG 33 N 0.12 0.16 -0.01 1.13 3.08 -1.94 0.18 114.38 117.09 3khd h ARG 33 Ca 0.01 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.88 3khd h ARG 33 Cb 0.68 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 3khd h ARG 33 CO 0.05 0.41 -0.62 1.96 -1.07 0.00 0.00 179.97 180.70 3khd h GLN 34 N 0.14 0.04 0.04 0.04 4.20 -1.77 -2.78 115.11 115.02 3khd h GLN 34 Ca 0.02 -0.03 -0.36 0.00 0.06 0.00 0.00 58.65 58.34 3khd h GLN 34 Cb 0.53 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.26 3khd h GLN 34 CO 0.04 0.64 -2.18 -0.89 -0.67 0.00 0.00 178.83 175.77 3khd n ILE 35 N -3.82 1.58 -0.03 2.54 5.41 -1.00 -4.64 119.36 119.40 3khd n ILE 35 Ca -0.01 -0.70 -0.18 0.00 1.00 0.00 0.00 62.75 62.86 3khd n ILE 35 Cb 0.62 -1.24 -0.14 0.00 -0.71 0.00 0.00 39.64 38.17 3khd n ILE 35 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3khd n LEU 36 N -3.18 2.29 -4.47 1.39 4.77 0.60 -4.92 117.00 113.48 3khd n LEU 36 Ca -0.34 0.18 -0.33 0.00 -0.03 0.00 0.00 56.01 55.49 3khd n LEU 36 Cb 1.05 -0.80 -0.13 0.00 -2.33 0.00 0.00 43.42 41.21 3khd n LEU 36 CO 0.38 0.78 -0.38 -1.61 -1.33 0.00 0.00 177.39 175.23 3khd s GLU 37 N -2.56 3.55 0.12 3.23 2.02 -1.05 -5.07 118.70 118.95 3khd s GLU 37 Ca -0.21 -0.56 -0.31 0.00 0.02 0.00 0.00 54.97 53.91 3khd s GLU 37 Cb 0.07 -2.82 -0.09 0.00 0.10 0.00 0.00 34.13 31.39 3khd s GLU 37 CO 0.75 0.26 1.63 -1.25 0.02 0.00 0.00 175.26 176.67 3khd s PRO 38 N 0.29 4.20 0.18 0.39 0.04 -1.26 -4.56 135.00 134.27 3khd s PRO 38 Ca -0.05 2.37 -0.30 0.00 0.04 0.00 0.00 61.00 63.05 3khd s PRO 38 Cb -0.14 -3.39 -0.08 0.00 0.04 0.00 0.00 34.50 30.93 3khd s PRO 38 CO 0.04 -0.68 1.16 0.54 0.04 0.00 0.00 177.00 178.09 3khd s ASN 39 N 1.84 7.15 -0.49 6.66 2.20 -1.26 -5.00 114.94 126.03 3khd s ASN 39 Ca 0.73 2.17 -0.08 0.00 -0.94 0.00 0.00 52.86 54.74 3khd s ASN 39 Cb -0.42 -2.60 0.13 0.00 -2.00 0.00 0.00 41.25 36.35 3khd s ASN 39 CO 0.32 -0.32 0.35 0.20 -2.94 0.00 0.00 177.10 174.70 3khd s ASN 40 N 0.09 5.63 0.03 3.54 0.01 -1.26 -5.05 114.94 117.93 3khd s ASN 40 Ca 0.52 -2.06 -0.05 0.00 -0.71 0.00 0.00 52.86 50.56 3khd s ASN 40 Cb -0.31 -1.97 -0.01 0.00 0.41 0.00 0.00 41.25 39.36 3khd s ASN 40 CO 0.36 -0.63 0.08 0.68 -1.51 0.00 0.00 177.10 176.08 3khd s VAL 41 N 1.14 0.12 0.11 1.60 -7.23 -1.26 -5.12 120.40 109.75 3khd s VAL 41 Ca 0.08 -0.98 -0.33 0.00 -1.81 0.00 0.00 61.98 58.94 3khd s VAL 41 Cb -0.24 -0.69 -0.12 0.00 0.56 0.00 0.00 36.38 35.89 3khd s VAL 41 CO -0.02 -0.54 1.76 -3.20 -0.31 0.00 0.00 175.10 172.79 3khd n ASN 42 N 1.06 3.65 0.21 4.85 5.15 -1.26 -4.87 115.26 124.04 3khd n ASN 42 Ca -0.21 1.02 0.12 0.00 -0.60 0.00 0.00 54.58 54.91 3khd n ASN 42 Cb 0.57 -1.48 0.69 0.00 -0.53 0.00 0.00 39.78 39.03 3khd n ASN 42 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3khd h LEU 43 N 7.70 0.00 -0.07 1.20 4.07 -1.96 -0.93 115.31 125.32 3khd h LEU 43 Ca -0.46 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.50 3khd h LEU 43 Cb 1.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.98 3khd h LEU 43 CO 0.93 0.00 -0.19 0.54 -1.08 0.00 0.00 178.44 178.64 3khd n ARG 44 N -4.40 0.20 0.00 1.13 1.74 -1.26 -3.45 116.66 110.62 3khd n ARG 44 Ca -0.00 -0.07 0.09 0.00 -0.77 0.00 0.00 57.85 57.10 3khd n ARG 44 Cb 0.21 -1.50 0.41 0.00 -1.02 0.00 0.00 32.46 30.56 3khd n ARG 44 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3khd n SER 45 N -1.34 0.00 -4.69 0.55 3.41 -0.35 -4.83 113.62 106.36 3khd n SER 45 Ca 0.09 0.37 -0.39 0.00 -0.26 0.00 0.00 58.87 58.68 3khd n SER 45 Cb 0.32 -0.44 0.03 0.00 -0.26 0.00 0.00 64.21 63.86 3khd n SER 45 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3khd n LYS 46 N -1.44 1.60 0.05 4.33 4.81 -1.22 -4.96 118.16 121.31 3khd n LYS 46 Ca 0.06 0.58 -0.22 0.00 -0.87 0.00 0.00 58.31 57.86 3khd n LYS 46 Cb 0.20 -2.39 -0.15 0.00 0.02 0.00 0.00 35.03 32.71 3khd n LYS 46 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3khd h LYS 47 N 1.48 0.33 -6.84 1.64 6.56 -1.91 -3.44 116.57 114.39 3khd h LYS 47 Ca -0.49 -0.56 -0.52 0.00 -1.06 0.00 0.00 60.65 58.02 3khd h LYS 47 Cb 1.31 0.21 0.05 0.00 -0.57 0.00 0.00 32.23 33.23 3khd h LYS 47 CO 0.57 1.27 0.58 0.99 -2.06 0.00 0.00 179.45 180.80 3khd s THR 48 N -2.50 3.02 0.13 -0.16 2.01 -1.26 -0.33 115.64 116.54 3khd s THR 48 Ca -0.16 1.01 0.04 0.00 0.31 0.00 0.00 61.69 62.89 3khd s THR 48 Cb 0.04 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 3khd s THR 48 CO 0.83 0.23 0.12 -1.00 -0.69 0.00 0.00 174.62 174.11 3khd s HIS 49 N -1.05 3.18 -0.13 4.92 3.76 -0.99 -4.95 115.29 120.02 3khd s HIS 49 Ca 0.48 0.03 0.01 0.00 -0.15 0.00 0.00 55.06 55.42 3khd s HIS 49 Cb -0.37 -1.56 -0.01 0.00 1.11 0.00 0.00 32.58 31.75 3khd s HIS 49 CO 0.48 0.52 -0.15 0.42 -0.85 0.00 0.00 174.74 175.16 3khd s ILE 50 N -1.60 2.81 -0.29 0.60 1.09 -1.26 -1.92 121.20 120.64 3khd s ILE 50 Ca 0.30 -0.74 -0.09 0.00 -1.10 0.00 0.00 60.65 59.03 3khd s ILE 50 Cb -0.11 -2.17 -0.01 0.00 -1.06 0.00 0.00 42.46 39.11 3khd s ILE 50 CO 0.23 0.53 0.12 -0.69 -0.10 0.00 0.00 174.94 175.03 3khd s VAL 51 N 0.46 4.47 -0.20 2.92 1.01 0.46 -1.82 120.40 127.71 3khd s VAL 51 Ca -0.11 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 61.43 3khd s VAL 51 Cb -0.16 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 3khd s VAL 51 CO 0.05 0.15 0.06 0.00 0.00 0.00 0.00 175.10 175.35 3khd s THR 53 N 0.71 4.23 0.26 0.00 2.01 -0.84 -0.73 115.64 121.27 3khd s THR 53 Ca 0.03 1.38 -0.30 0.00 0.31 0.00 0.00 61.69 63.11 3khd s THR 53 Cb -0.13 -4.27 -0.09 0.00 0.01 0.00 0.00 72.50 68.02 3khd s THR 53 CO 0.02 -0.54 1.06 -1.48 -0.69 0.00 0.00 174.62 172.99 3khd s LEU 54 N 4.24 4.57 0.00 4.42 -0.00 -0.60 -3.26 118.68 128.06 3khd s LEU 54 Ca 0.53 2.18 0.00 0.00 -0.00 0.00 0.00 54.13 56.83 3khd s LEU 54 Cb -0.14 -3.62 0.00 0.00 -0.00 0.00 0.00 46.19 42.42 3khd s LEU 54 CO 0.22 -0.08 0.00 0.61 -0.00 0.00 0.00 176.35 177.10 3khd n GLY 55 N 1.36 3.71 0.26 -3.48 0.00 -1.26 -4.73 105.19 101.04 3khd n GLY 55 Ca -0.01 -0.95 0.09 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 0.00 1.61 0.11 -1.85 -1.02 132.00 130.84 3khd h PRO 56 Ca 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 3khd h PRO 56 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3khd h PRO 56 CO 0.00 0.04 -0.22 0.00 -0.21 0.00 0.00 178.00 177.60 3khd h ALA 57 N 1.96 0.89 -0.01 -0.75 0.00 -1.62 -3.13 119.26 116.61 3khd h ALA 57 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3khd h ALA 57 Cb 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3khd h ALA 57 CO 0.00 0.28 -0.26 0.00 0.00 0.00 0.00 179.25 179.27 3khd h LYS 59 N 1.84 0.34 -6.81 0.00 1.79 -1.28 -3.40 116.57 109.04 3khd h LYS 59 Ca 0.00 -0.02 -0.52 0.00 -2.18 0.00 0.00 60.65 57.93 3khd h LYS 59 Cb 0.59 -0.08 0.06 0.00 -1.58 0.00 0.00 32.23 31.22 3khd h LYS 59 CO 0.00 0.22 0.68 -1.54 -1.08 0.00 0.00 179.45 177.73 3khd s SER 60 N -5.23 6.75 0.33 0.86 1.04 -1.26 -4.93 113.70 111.25 3khd s SER 60 Ca -0.12 2.65 0.09 0.00 0.48 0.00 0.00 55.95 59.04 3khd s SER 60 Cb 0.23 -2.64 0.57 0.00 0.10 0.00 0.00 66.02 64.28 3khd s SER 60 CO 0.77 -0.59 1.76 0.58 0.98 0.00 0.00 173.24 176.74 3khd h VAL 61 N 3.29 1.29 0.00 5.02 2.07 -1.92 -2.30 116.25 123.70 3khd h VAL 61 Ca -0.47 -1.38 -0.07 0.00 0.82 0.00 0.00 66.70 65.60 3khd h VAL 61 Cb 1.22 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 3khd h VAL 61 CO 0.71 0.41 -0.31 1.05 0.02 0.00 0.00 177.57 179.45 3khd h GLU 62 N 0.14 0.00 0.00 1.57 4.11 -1.93 -2.39 114.58 116.08 3khd h GLU 62 Ca 0.01 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.25 3khd h GLU 62 Cb 0.73 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 3khd h GLU 62 CO 0.05 0.31 -0.92 0.00 0.07 0.00 0.00 179.01 178.52 3khd h THR 63 N 0.00 1.66 -0.10 -1.06 1.03 -1.75 -2.95 112.91 109.74 3khd h THR 63 Ca -0.00 -3.17 -0.16 0.00 -0.01 0.00 0.00 66.41 63.06 3khd h THR 63 Cb 0.58 2.71 0.01 0.00 -1.07 0.00 0.00 68.15 70.38 3khd h THR 63 CO 0.04 0.91 -0.57 -0.07 -0.01 0.00 0.00 175.52 175.81 3khd h LEU 64 N 0.00 0.69 -1.14 0.00 3.38 -1.20 -2.63 115.31 114.41 3khd h LEU 64 Ca -0.01 -0.65 -0.07 0.00 0.09 0.00 0.00 57.88 57.24 3khd h LEU 64 Cb 1.64 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 3khd h LEU 64 CO 0.12 1.22 -0.18 0.58 0.09 0.00 0.00 178.44 180.28 3khd h VAL 65 N 0.19 1.23 -0.64 1.22 2.07 -1.55 -2.22 116.25 116.56 3khd h VAL 65 Ca -0.04 -1.05 -0.05 0.00 0.82 0.00 0.00 66.70 66.38 3khd h VAL 65 Cb 1.22 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 3khd h VAL 65 CO 0.12 0.33 0.19 0.11 0.02 0.00 0.00 177.57 178.34 3khd h LYS 66 N 0.36 0.98 -0.30 1.57 6.56 -1.50 -1.70 116.57 122.54 3khd h LYS 66 Ca 0.06 -0.20 -0.12 0.00 -1.06 0.00 0.00 60.65 59.33 3khd h LYS 66 Cb 0.52 -0.15 -0.01 0.00 -0.57 0.00 0.00 32.23 32.02 3khd h LYS 66 CO 0.03 0.84 -0.32 -0.07 -2.06 0.00 0.00 179.45 177.88 3khd h LEU 67 N 0.94 0.67 -0.52 2.94 3.38 -1.09 -1.63 115.31 119.99 3khd h LEU 67 Ca 0.21 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3khd h LEU 67 Cb 0.28 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3khd h LEU 67 CO -0.01 0.94 0.22 0.40 0.09 0.00 0.00 178.44 180.08 3khd h ILE 68 N 0.55 1.21 0.00 1.22 2.04 -1.08 -1.13 117.51 120.32 3khd h ILE 68 Ca 0.06 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.27 3khd h ILE 68 Cb 0.81 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 3khd h ILE 68 CO 0.07 0.25 0.00 0.44 0.00 0.00 0.00 178.15 178.91 3khd h ASP 69 N 0.71 0.00 -0.51 1.72 5.19 -1.21 -2.26 116.42 120.05 3khd h ASP 69 Ca 0.18 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 3khd h ASP 69 Cb 0.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.69 3khd h ASP 69 CO -0.02 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.10 3khd n ALA 70 N -2.08 2.42 -1.24 3.45 0.00 -0.62 -4.77 120.51 117.67 3khd n ALA 70 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 53.44 52.54 3khd n ALA 70 Cb 0.28 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.77 3khd n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3khd n GLY 71 N 1.33 0.65 3.78 0.00 0.00 -0.82 -3.87 105.19 106.26 3khd n GLY 71 Ca 0.18 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.56 4.05 0.00 1.61 0.00 -0.50 -4.42 119.30 117.48 3khd s MET 72 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 55.69 55.87 3khd s MET 72 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 34.83 31.49 3khd s MET 72 CO 0.00 0.44 0.00 -0.25 0.00 0.00 0.00 175.02 175.21 3khd n ASP 73 N 2.86 3.75 -4.15 1.11 8.00 -0.98 -4.76 116.55 122.38 3khd n ASP 73 Ca -0.13 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.10 3khd n ASP 73 Cb 0.52 0.03 -0.16 0.00 -0.02 0.00 0.00 41.12 41.50 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 -1.92 1.50 -0.27 0.53 1.01 -0.75 -2.15 121.20 119.15 3khd s ILE 74 Ca 0.00 -0.76 -0.10 0.00 0.00 0.00 0.00 60.65 59.79 3khd s ILE 74 Cb 0.00 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 3khd s ILE 74 CO 0.00 0.43 0.15 0.00 0.00 0.00 0.00 174.94 175.52 3khd s ARG 76 N 1.67 4.20 -0.41 0.00 0.52 0.09 -0.31 118.95 124.70 3khd s ARG 76 Ca 0.07 0.15 0.00 0.00 -0.52 0.00 0.00 55.73 55.43 3khd s ARG 76 Cb -0.16 -3.40 0.11 0.00 0.52 0.00 0.00 34.95 32.03 3khd s ARG 76 CO 0.08 0.29 0.17 -0.06 0.02 0.00 0.00 175.30 175.80 3khd s PHE 77 N 0.30 3.61 -0.55 -0.53 0.40 0.11 -1.56 117.98 119.76 3khd s PHE 77 Ca 0.18 -2.73 -0.28 0.00 -0.60 0.00 0.00 56.93 53.50 3khd s PHE 77 Cb -0.13 -3.08 0.01 0.00 0.51 0.00 0.00 43.02 40.32 3khd s PHE 77 CO 0.05 -0.93 1.50 1.21 0.70 0.00 0.00 175.22 177.75 3khd s ASN 78 N 1.19 6.01 0.00 1.36 2.47 -1.26 -2.13 114.94 122.58 3khd s ASN 78 Ca 0.11 0.38 0.29 0.00 0.42 0.00 0.00 52.86 54.06 3khd s ASN 78 Cb -0.21 -2.54 1.37 0.00 -1.45 0.00 0.00 41.25 38.42 3khd s ASN 78 CO -0.05 -1.78 1.93 0.49 -3.72 0.00 0.00 177.10 173.96 3khd n PHE 79 N 9.99 0.00 0.54 0.43 3.01 -0.84 -3.74 117.46 126.86 3khd n PHE 79 Ca 0.14 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.70 3khd n PHE 79 Cb 0.49 -0.03 0.41 0.00 -0.01 0.00 0.00 39.48 40.34 3khd n PHE 79 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3khd n SER 80 N -0.42 0.25 -3.81 4.37 3.41 -1.26 -4.63 113.62 111.53 3khd n SER 80 Ca 0.20 0.55 -0.13 0.00 -0.26 0.00 0.00 58.87 59.23 3khd n SER 80 Cb 0.26 -0.61 -0.14 0.00 -0.26 0.00 0.00 64.21 63.46 3khd n SER 80 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3khd s HIS 81 N -3.10 -0.07 0.00 7.33 3.76 -1.25 -5.02 115.29 116.94 3khd s HIS 81 Ca 0.07 0.23 0.00 0.00 -0.15 0.00 0.00 55.06 55.21 3khd s HIS 81 Cb 0.11 -0.05 0.00 0.00 1.11 0.00 0.00 32.58 33.75 3khd s HIS 81 CO 0.36 -0.07 0.00 0.41 -0.85 0.00 0.00 174.74 174.59 3khd n GLY 82 N 3.52 0.66 3.68 -2.22 0.00 -1.26 -4.93 105.19 104.64 3khd n GLY 82 Ca -0.18 -2.11 -0.23 0.00 0.00 0.00 0.00 46.02 43.49 3khd n GLY 82 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3khd s SER 83 N 0.00 4.58 0.35 1.61 1.04 -1.26 -5.04 113.70 114.98 3khd s SER 83 Ca 0.00 -0.73 0.04 0.00 0.48 0.00 0.00 55.95 55.73 3khd s SER 83 Cb 0.00 -0.77 0.65 0.00 0.10 0.00 0.00 66.02 66.00 3khd s SER 83 CO 0.00 -0.15 1.96 0.45 0.98 0.00 0.00 173.24 176.48 3khd h HIS 84 N 1.73 0.66 0.00 5.02 -0.00 -1.98 -2.31 115.15 118.27 3khd h HIS 84 Ca -0.44 -0.02 -0.10 0.00 -0.00 0.00 0.00 60.37 59.82 3khd h HIS 84 Cb 1.25 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 28.43 3khd h HIS 84 CO 0.66 0.50 -0.45 0.93 -0.00 0.00 0.00 177.93 179.56 3khd h GLU 85 N 0.68 0.00 0.02 2.45 3.07 -1.99 -0.44 114.58 118.37 3khd h GLU 85 Ca 0.17 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.80 3khd h GLU 85 Cb 0.08 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.96 3khd h GLU 85 CO -0.02 0.45 -1.15 -0.44 -1.40 0.00 0.00 179.01 176.45 3khd h ASP 86 N 0.00 0.07 0.96 1.42 3.45 -1.91 -3.21 116.42 117.20 3khd h ASP 86 Ca -0.00 -0.08 -0.13 0.00 0.43 0.00 0.00 57.03 57.25 3khd h ASP 86 Cb 0.84 -0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 39.57 3khd h ASP 86 CO 0.06 1.06 -0.61 0.45 -1.57 0.00 0.00 179.24 178.64 3khd h HIS 87 N 0.01 0.00 -0.21 4.55 3.86 -1.18 -2.98 115.15 119.20 3khd h HIS 87 Ca -0.07 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.05 3khd h HIS 87 Cb 1.84 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.30 3khd h HIS 87 CO 0.01 0.61 -0.25 0.87 0.86 0.00 0.00 177.93 180.03 3khd h LYS 88 N 0.00 0.39 -0.34 2.45 6.56 -1.16 -1.93 116.57 122.56 3khd h LYS 88 Ca -0.01 -0.14 -0.10 0.00 -1.06 0.00 0.00 60.65 59.34 3khd h LYS 88 Cb 1.25 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.87 3khd h LYS 88 CO 0.08 0.62 -0.21 1.05 -2.06 0.00 0.00 179.45 178.93 3khd h GLU 89 N 0.35 0.64 -0.12 3.15 4.11 -1.53 -1.63 114.58 119.55 3khd h GLU 89 Ca 0.05 -0.24 -0.08 0.00 0.07 0.00 0.00 59.36 59.16 3khd h GLU 89 Cb 0.63 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3khd h GLU 89 CO 0.05 0.81 -0.25 0.52 0.07 0.00 0.00 179.01 180.20 3khd h MET 90 N 0.57 0.39 -0.59 1.06 2.86 -1.41 -2.19 114.93 115.62 3khd h MET 90 Ca 0.08 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.46 3khd h MET 90 Cb 0.67 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.34 3khd h MET 90 CO 0.05 0.85 0.30 0.74 1.06 0.00 0.00 176.91 179.92 3khd h PHE 91 N -0.03 0.81 -0.11 -0.22 0.05 -1.30 -0.60 116.94 115.54 3khd h PHE 91 Ca 0.00 -0.02 -0.17 0.00 3.82 0.00 0.00 57.97 61.61 3khd h PHE 91 Cb 0.84 -0.26 -0.01 0.00 2.00 0.00 0.00 35.95 38.53 3khd h PHE 91 CO 0.10 0.58 -0.63 -2.95 -0.18 0.00 0.00 178.31 175.23 3khd h ASN 92 N 0.83 0.47 -0.37 2.17 -1.07 -1.35 -3.15 115.58 113.10 3khd h ASN 92 Ca 0.21 -0.28 -0.11 0.00 0.07 0.00 0.00 56.30 56.19 3khd h ASN 92 Cb 0.05 -0.14 -0.01 0.00 -2.07 0.00 0.00 38.32 36.16 3khd h ASN 92 CO -0.03 0.98 -0.21 -0.55 0.07 0.00 0.00 177.43 177.69 3khd h ASN 93 N 0.30 0.84 0.65 6.14 7.08 -0.67 -2.90 115.58 127.01 3khd h ASN 93 Ca -0.01 -0.42 -0.06 0.00 -3.08 0.00 0.00 56.30 52.73 3khd h ASN 93 Cb 1.17 -0.23 -0.01 0.00 -2.08 0.00 0.00 38.32 37.17 3khd h ASN 93 CO 0.11 1.07 -0.27 -0.37 -2.08 0.00 0.00 177.43 175.89 3khd h VAL 94 N 0.60 0.79 -0.26 6.14 -1.51 -1.22 -0.97 116.25 119.82 3khd h VAL 94 Ca 0.08 -1.13 -0.14 0.00 -1.23 0.00 0.00 66.70 64.28 3khd h VAL 94 Cb 0.77 1.69 -0.01 0.00 -2.13 0.00 0.00 31.29 31.62 3khd h VAL 94 CO 0.06 0.27 -0.43 0.25 -1.23 0.00 0.00 177.57 176.49 3khd h LEU 95 N 0.00 0.68 -0.61 4.19 7.12 -1.49 -0.06 115.31 125.14 3khd h LEU 95 Ca -0.00 -0.32 -0.15 0.00 0.13 0.00 0.00 57.88 57.54 3khd h LEU 95 Cb 0.67 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.60 3khd h LEU 95 CO 0.04 1.02 -0.62 0.11 -0.13 0.00 0.00 178.44 178.86 3khd h LYS 96 N 0.52 0.28 -0.22 1.25 1.79 -1.24 -1.22 116.57 117.73 3khd h LYS 96 Ca 0.04 -0.19 -0.14 0.00 -2.18 0.00 0.00 60.65 58.17 3khd h LYS 96 Cb 0.96 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.63 3khd h LYS 96 CO 0.09 0.81 -0.45 0.00 -1.08 0.00 0.00 179.45 178.81 3khd h ALA 97 N 1.15 0.79 0.00 3.86 0.00 -1.02 -2.88 119.26 121.16 3khd h ALA 97 Ca -0.01 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 3khd h ALA 97 Cb 1.13 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 3khd h ALA 97 CO 0.10 0.66 -0.09 0.37 0.00 0.00 0.00 179.25 180.29 3khd h GLN 98 N 0.46 0.00 -0.01 0.00 4.15 -0.91 -2.99 115.11 115.80 3khd h GLN 98 Ca 0.03 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.34 3khd h GLN 98 Cb 0.97 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.64 3khd h GLN 98 CO 0.09 0.09 -0.53 1.49 -1.93 0.00 0.00 178.83 178.03 3khd h GLU 99 N 0.00 0.03 -0.39 1.69 4.57 -1.02 -3.18 114.58 116.28 3khd h GLU 99 Ca -0.00 -0.02 -0.16 0.00 -1.18 0.00 0.00 59.36 58.00 3khd h GLU 99 Cb 0.91 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.49 3khd h GLU 99 CO 0.01 0.56 -0.37 -0.07 -1.18 0.00 0.00 179.01 177.96 3khd h LEU 100 N 0.03 1.00 -7.83 1.64 4.07 -1.36 -3.39 115.31 109.47 3khd h LEU 100 Ca -0.00 -0.45 -0.70 0.00 0.08 0.00 0.00 57.88 56.81 3khd h LEU 100 Cb 0.95 -0.28 -0.34 0.00 1.08 0.00 0.00 40.66 42.07 3khd h LEU 100 CO 0.07 1.25 -0.53 0.00 -1.08 0.00 0.00 178.44 178.16 3khd s ARG 101 N -4.42 2.06 0.16 1.13 1.04 -1.20 -4.99 118.95 112.73 3khd s ARG 101 Ca -0.11 -1.84 0.01 0.00 -1.04 0.00 0.00 55.73 52.75 3khd s ARG 101 Cb 0.11 -3.62 -0.01 0.00 -2.04 0.00 0.00 34.95 29.39 3khd s ARG 101 CO 0.88 -1.09 1.37 -1.00 -0.04 0.00 0.00 175.30 175.43 3khd h PRO 102 N 8.05 0.27 -0.44 3.89 0.13 -1.77 -3.32 132.00 138.81 3khd h PRO 102 Ca -0.13 -0.28 -0.13 0.00 -0.87 0.00 0.00 66.00 64.59 3khd h PRO 102 Cb 1.05 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 3khd h PRO 102 CO 0.71 0.98 -0.25 -0.91 -0.23 0.00 0.00 178.00 178.31 3khd h ASN 103 N 0.16 0.96 -3.89 1.44 4.21 -1.94 -3.44 115.58 113.08 3khd h ASN 103 Ca -0.05 -0.37 -0.47 0.00 1.21 0.00 0.00 56.30 56.62 3khd h ASN 103 Cb 1.48 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 38.39 3khd h ASN 103 CO 0.14 1.15 0.24 0.00 -1.29 0.00 0.00 177.43 177.67 3khd s LEU 105 N -2.86 1.96 0.40 0.00 1.02 -1.26 -4.96 118.68 112.99 3khd s LEU 105 Ca 0.56 -0.10 0.08 0.00 0.02 0.00 0.00 54.13 54.69 3khd s LEU 105 Cb -0.11 -0.29 -0.01 0.00 0.02 0.00 0.00 46.19 45.79 3khd s LEU 105 CO 0.17 0.06 0.44 -0.76 0.02 0.00 0.00 176.35 176.27 3khd s LEU 106 N -0.06 3.53 0.03 1.79 2.01 -1.26 -4.96 118.68 119.77 3khd s LEU 106 Ca 0.01 -0.58 0.07 0.00 0.01 0.00 0.00 54.13 53.64 3khd s LEU 106 Cb -0.03 -2.31 -0.02 0.00 0.01 0.00 0.00 46.19 43.84 3khd s LEU 106 CO -0.00 -0.64 -0.20 -0.83 1.01 0.00 0.00 176.35 175.69 3khd s GLY 107 N -4.19 1.05 -0.16 -3.19 0.00 -0.92 -4.71 107.32 95.21 3khd s GLY 107 Ca 0.49 -0.99 -0.03 0.00 0.00 0.00 0.00 44.72 44.19 3khd s GLY 107 CO 0.30 -0.91 -0.05 1.06 0.00 0.00 0.00 173.10 173.49 3khd s MET 108 N -1.03 3.59 0.00 2.90 -1.94 -1.26 0.70 119.30 122.26 3khd s MET 108 Ca 0.07 -0.56 0.07 0.00 -1.71 0.00 0.00 55.69 53.56 3khd s MET 108 Cb -0.08 -2.88 -0.02 0.00 2.01 0.00 0.00 34.83 33.86 3khd s MET 108 CO 0.01 0.18 -0.23 -1.17 -0.01 0.00 0.00 175.02 173.81 3khd s LEU 109 N 0.50 2.09 -0.16 -0.03 0.20 0.57 -1.07 118.68 120.78 3khd s LEU 109 Ca -0.04 -0.46 0.01 0.00 0.69 0.00 0.00 54.13 54.32 3khd s LEU 109 Cb -0.15 -1.16 0.02 0.00 -0.43 0.00 0.00 46.19 44.47 3khd s LEU 109 CO 0.03 0.26 -0.19 -1.48 -0.29 0.00 0.00 176.35 174.68 3khd s LEU 110 N -0.78 2.00 0.03 -0.68 2.34 -0.84 0.07 118.68 120.84 3khd s LEU 110 Ca 0.09 -0.59 -0.21 0.00 0.06 0.00 0.00 54.13 53.48 3khd s LEU 110 Cb -0.09 -1.39 -0.06 0.00 -0.56 0.00 0.00 46.19 44.10 3khd s LEU 110 CO 0.00 -0.00 0.61 -0.62 -1.06 0.00 0.00 176.35 175.28 3khd s ASP 111 N 1.25 7.04 0.40 1.48 -1.08 -0.91 -1.40 116.67 123.46 3khd s ASP 111 Ca 0.03 1.24 0.08 0.00 -0.52 0.00 0.00 52.55 53.37 3khd s ASP 111 Cb -0.13 -2.38 -0.00 0.00 -1.46 0.00 0.00 42.92 38.95 3khd s ASP 111 CO -0.10 0.15 0.51 0.42 0.52 0.00 0.00 175.17 176.67 3khd s THR 112 N -0.51 3.18 0.00 1.71 -4.23 -0.97 -1.98 115.64 112.85 3khd s THR 112 Ca 0.31 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.75 3khd s THR 112 Cb -0.19 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.56 3khd s THR 112 CO 0.19 -0.04 0.00 0.29 -0.54 0.00 0.00 174.62 174.52 3khd n LYS 113 N -1.74 2.31 0.00 3.99 4.76 -1.26 -4.67 118.16 121.55 3khd n LYS 113 Ca 0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 3khd n LYS 113 Cb 0.59 -0.77 0.00 0.00 -1.84 0.00 0.00 35.03 33.01 3khd n LYS 113 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 3khd n GLU 216 N -1.19 0.00 0.08 1.97 -0.00 -1.26 -4.89 120.64 115.35 3khd n GLU 216 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.16 57.09 3khd n GLU 216 Cb 0.20 0.00 -0.05 0.00 -0.00 0.00 0.00 31.44 31.60 3khd n GLU 216 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.13 178.70 3khd h LYS 217 N 0.00 0.05 -0.01 3.44 2.10 -2.06 -3.11 116.57 116.98 3khd h LYS 217 Ca 0.00 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 3khd h LYS 217 Cb 0.00 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 3khd h LYS 217 CO 0.00 0.94 -0.06 -3.47 -2.00 0.00 0.00 179.45 174.86 3khd n ASP 218 N -3.50 1.30 0.05 7.07 4.64 -1.26 -4.03 116.55 120.82 3khd n ASP 218 Ca -0.01 -1.32 -0.04 0.00 -1.38 0.00 0.00 54.79 52.04 3khd n ASP 218 Cb 0.86 0.03 0.18 0.00 -1.04 0.00 0.00 41.12 41.15 3khd n ASP 218 CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 3khd h LYS 219 N 1.96 0.37 0.00 -0.67 1.57 -1.97 -0.42 116.57 117.40 3khd h LYS 219 Ca 0.00 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.53 3khd h LYS 219 Cb 0.48 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3khd h LYS 219 CO 0.00 0.70 -0.38 -2.95 -0.57 0.00 0.00 179.45 176.25 3khd h ASN 220 N 0.31 0.00 0.21 0.86 -0.00 -1.74 0.65 115.58 115.87 3khd h ASN 220 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.33 3khd h ASN 220 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.14 3khd h ASN 220 CO 0.07 0.38 -0.08 -0.90 -0.00 0.00 0.00 177.43 176.90 3khd n ASP 221 N -3.45 0.63 -0.07 6.14 3.85 -0.82 -3.01 116.55 119.83 3khd n ASP 221 Ca 0.00 -0.86 -0.13 0.00 -0.71 0.00 0.00 54.79 53.09 3khd n ASP 221 Cb 0.54 -0.03 -0.05 0.00 -1.35 0.00 0.00 41.12 40.23 3khd n ASP 221 CO 0.00 0.00 0.00 -0.38 -1.01 0.00 0.00 177.20 175.81 3khd n ILE 222 N -0.71 0.77 0.11 2.12 5.41 -0.23 -3.53 119.36 123.30 3khd n ILE 222 Ca 0.17 -0.22 -0.04 0.00 1.00 0.00 0.00 62.75 63.66 3khd n ILE 222 Cb 0.27 -1.47 0.09 0.00 -0.71 0.00 0.00 39.64 37.81 3khd n ILE 222 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3khd h LEU 223 N -0.35 0.07 0.00 1.39 3.38 -1.03 -3.22 115.31 115.54 3khd h LEU 223 Ca -0.34 -0.05 -0.22 0.00 0.09 0.00 0.00 57.88 57.36 3khd h LEU 223 Cb 1.36 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 42.05 3khd h LEU 223 CO -0.17 0.76 -1.81 -0.46 0.09 0.00 0.00 178.44 176.86 3khd n ASN 224 N -3.71 2.33 0.09 -0.43 2.04 -1.17 -4.39 115.26 110.02 3khd n ASN 224 Ca -0.01 0.01 -0.17 0.00 -0.44 0.00 0.00 54.58 53.96 3khd n ASN 224 Cb 0.70 -0.29 -0.10 0.00 -2.53 0.00 0.00 39.78 37.56 3khd n ASN 224 CO 0.00 0.00 0.00 2.19 -0.44 0.00 0.00 177.26 179.01 3khd h PHE 225 N -0.17 0.70 0.11 -2.53 -0.00 -1.70 -3.22 116.94 110.13 3khd h PHE 225 Ca -0.33 -0.44 -0.32 0.00 -0.00 0.00 0.00 57.97 56.88 3khd h PHE 225 Cb 1.44 -0.06 -0.01 0.00 -0.00 0.00 0.00 35.95 37.32 3khd h PHE 225 CO -0.00 1.30 -1.66 0.00 -0.00 0.00 0.00 178.31 177.95 3khd h ALA 226 N 0.54 0.37 -0.11 12.09 0.00 -1.60 -3.22 119.26 127.33 3khd h ALA 226 Ca -0.14 -1.22 -0.05 0.00 0.00 0.00 0.00 54.91 53.51 3khd h ALA 226 Cb 1.82 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 20.02 3khd h ALA 226 CO 0.20 1.24 -0.11 0.82 0.00 0.00 0.00 179.25 181.39 3khd h ILE 227 N 0.06 1.36 -0.09 0.00 1.08 -1.71 -2.31 117.51 115.89 3khd h ILE 227 Ca -0.29 -1.27 -0.04 0.00 -0.39 0.00 0.00 64.86 62.87 3khd h ILE 227 Cb 2.02 1.94 -0.00 0.00 -3.07 0.00 0.00 36.82 37.71 3khd h ILE 227 CO 0.14 0.36 -0.10 1.55 -0.69 0.00 0.00 178.15 179.41 3khd h PRO 228 N -0.12 0.24 0.00 2.37 0.14 -1.75 -3.19 132.00 129.69 3khd h PRO 228 Ca 0.02 -0.13 -0.03 0.00 0.14 0.00 0.00 66.00 66.00 3khd h PRO 228 Cb 0.63 0.01 -0.00 0.00 0.14 0.00 0.00 31.00 31.78 3khd h PRO 228 CO 0.03 0.67 -0.14 0.00 0.14 0.00 0.00 178.00 178.69 3khd h MET 229 N -0.18 0.00 -2.89 0.86 -0.00 -1.68 -3.47 114.93 107.57 3khd h MET 229 Ca 0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 59.70 59.67 3khd h MET 229 Cb 0.63 0.00 0.03 0.00 -0.00 0.00 0.00 31.60 32.26 3khd h MET 229 CO 0.03 0.14 -0.13 0.41 -0.00 0.00 0.00 176.91 177.36 3khd n GLY 230 N -0.22 0.42 3.78 -3.00 0.00 -0.92 -5.05 105.19 100.19 3khd n GLY 230 Ca -0.01 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.47 1.53 -4.14 0.00 4.13 -0.23 -4.72 115.26 108.36 3khd n ASN 232 Ca 0.09 -0.03 -0.23 0.00 1.68 0.00 0.00 54.58 56.09 3khd n ASN 232 Cb 0.53 0.56 -0.15 0.00 -1.54 0.00 0.00 39.78 39.18 3khd n ASN 232 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3khd s PHE 233 N -2.38 1.41 -0.28 3.10 0.40 -0.64 -0.37 117.98 119.22 3khd s PHE 233 Ca -0.13 -0.27 0.01 0.00 -0.60 0.00 0.00 56.93 55.94 3khd s PHE 233 Cb 0.05 -0.90 0.06 0.00 0.51 0.00 0.00 43.02 42.74 3khd s PHE 233 CO 0.59 -0.02 -0.06 0.42 0.70 0.00 0.00 175.22 176.85 3khd s ILE 234 N -0.40 2.47 -1.09 0.64 -1.09 0.44 -1.98 121.20 120.20 3khd s ILE 234 Ca 0.06 -1.59 -0.19 0.00 -2.23 0.00 0.00 60.65 56.71 3khd s ILE 234 Cb -0.06 -2.46 0.11 0.00 -1.58 0.00 0.00 42.46 38.46 3khd s ILE 234 CO -0.00 -0.09 1.40 0.00 -1.23 0.00 0.00 174.94 175.02 3khd s ALA 235 N 1.15 3.33 -0.06 9.38 0.00 -0.49 -0.60 121.76 134.46 3khd s ALA 235 Ca -0.07 -2.80 -0.30 0.00 0.00 0.00 0.00 51.96 48.80 3khd s ALA 235 Cb -0.20 -4.31 -0.03 0.00 0.00 0.00 0.00 23.12 18.58 3khd s ALA 235 CO -0.04 -3.17 1.17 0.00 0.00 0.00 0.00 175.76 173.72 3khd s ALA 236 N 3.35 3.47 0.27 0.00 0.00 -0.96 -2.28 121.76 125.62 3khd s ALA 236 Ca 0.43 0.59 -0.14 0.00 0.00 0.00 0.00 51.96 52.84 3khd s ALA 236 Cb -0.01 -3.50 -0.08 0.00 0.00 0.00 0.00 23.12 19.53 3khd s ALA 236 CO -0.04 -0.71 0.67 0.45 0.00 0.00 0.00 175.76 176.13 3khd s SER 237 N 1.39 6.77 -1.27 0.00 0.15 -1.26 -1.45 113.70 118.03 3khd s SER 237 Ca 0.55 1.19 -0.09 0.00 0.70 0.00 0.00 55.95 58.30 3khd s SER 237 Cb -0.24 -2.33 -0.00 0.00 -1.71 0.00 0.00 66.02 61.73 3khd s SER 237 CO 0.22 -0.12 0.63 0.33 1.20 0.00 0.00 173.24 175.50 3khd n PHE 238 N -0.08 -1.81 -2.97 3.44 7.35 -1.25 -4.94 117.46 117.20 3khd n PHE 238 Ca 0.01 0.64 -0.40 0.00 -0.76 0.00 0.00 57.45 56.95 3khd n PHE 238 Cb 0.53 -3.74 -0.05 0.00 0.35 0.00 0.00 39.48 36.57 3khd n PHE 238 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 3khd s ILE 239 N -3.70 4.68 -0.00 -2.13 1.01 -1.24 -4.97 121.20 114.84 3khd s ILE 239 Ca 0.20 1.67 0.00 0.00 0.00 0.00 0.00 60.65 62.52 3khd s ILE 239 Cb -0.07 -4.13 -0.00 0.00 0.01 0.00 0.00 42.46 38.27 3khd s ILE 239 CO 0.86 0.38 0.00 0.00 0.00 0.00 0.00 174.94 176.19 3khd n GLN 240 N 2.67 5.11 -3.97 2.79 3.00 -1.26 -4.42 117.38 121.29 3khd n GLN 240 Ca -0.03 -0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.88 3khd n GLN 240 Cb 0.50 -0.64 -0.04 0.00 0.00 0.00 0.00 30.24 30.06 3khd n GLN 240 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 3khd s SER 241 N -1.28 -0.08 0.45 1.08 1.04 -1.26 -4.13 113.70 109.51 3khd s SER 241 Ca 0.00 -0.90 0.28 0.00 0.48 0.00 0.00 55.95 55.81 3khd s SER 241 Cb 0.00 0.63 0.95 0.00 0.10 0.00 0.00 66.02 67.70 3khd s SER 241 CO 0.01 -1.21 1.82 0.00 0.98 0.00 0.00 173.24 174.83 3khd h ALA 242 N 2.19 1.00 -0.11 5.32 0.00 -1.86 -2.96 119.26 122.83 3khd h ALA 242 Ca -0.25 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 3khd h ALA 242 Cb 1.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3khd h ALA 242 CO 0.33 0.00 -0.54 -0.44 0.00 0.00 0.00 179.25 178.61 3khd h ASP 243 N 0.00 0.35 -0.55 0.00 3.32 -1.95 -3.29 116.42 114.29 3khd h ASP 243 Ca 0.00 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 56.82 3khd h ASP 243 Cb 0.66 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 3khd h ASP 243 CO 0.00 0.82 0.16 0.44 -1.72 0.00 0.00 179.24 178.95 3khd h ASP 244 N 0.25 0.85 1.35 6.45 5.19 -1.93 -2.59 116.42 125.98 3khd h ASP 244 Ca 0.00 -0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.26 3khd h ASP 244 Cb 1.03 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.31 3khd h ASP 244 CO 0.09 0.82 0.00 -0.37 -3.12 0.00 0.00 179.24 176.65 3khd h VAL 245 N 0.88 0.00 0.01 -1.35 -1.51 -1.67 -2.67 116.25 109.94 3khd h VAL 245 Ca 0.19 -0.60 -0.21 0.00 -1.23 0.00 0.00 66.70 64.85 3khd h VAL 245 Cb 0.29 1.55 -0.01 0.00 -2.13 0.00 0.00 31.29 30.99 3khd h VAL 245 CO -0.00 0.00 -0.92 0.03 -1.23 0.00 0.00 177.57 175.44 3khd h ARG 246 N 0.00 0.24 -0.48 5.19 -0.00 -1.56 -2.91 114.38 114.86 3khd h ARG 246 Ca 0.00 -0.27 -0.08 0.00 -0.50 0.00 0.00 59.98 59.12 3khd h ARG 246 Cb 0.68 0.08 -0.02 0.00 0.00 0.00 0.00 29.97 30.71 3khd h ARG 246 CO 0.00 1.01 -0.03 1.25 0.00 0.00 0.00 179.97 182.20 3khd h LEU 247 N 0.13 0.85 -0.51 3.04 5.85 -1.32 -0.07 115.31 123.28 3khd h LEU 247 Ca -0.06 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.34 3khd h LEU 247 Cb 1.56 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.36 3khd h LEU 247 CO 0.14 0.97 0.00 0.40 -0.34 0.00 0.00 178.44 179.61 3khd h ILE 248 N 0.71 0.00 0.13 4.05 1.08 -1.62 -2.04 117.51 119.83 3khd h ILE 248 Ca 0.13 -0.57 -0.31 0.00 -0.39 0.00 0.00 64.86 63.72 3khd h ILE 248 Cb 0.55 1.51 -0.00 0.00 -3.07 0.00 0.00 36.82 35.80 3khd h ILE 248 CO 0.03 0.00 -1.53 0.08 -0.69 0.00 0.00 178.15 176.04 3khd h ARG 249 N 0.00 0.27 -0.27 2.37 -0.00 -1.28 -3.25 114.38 112.23 3khd h ARG 249 Ca 0.00 -0.46 -0.18 0.00 -0.00 0.00 0.00 59.98 59.33 3khd h ARG 249 Cb 0.67 0.17 -0.00 0.00 -0.00 0.00 0.00 29.97 30.81 3khd h ARG 249 CO 0.00 1.15 -0.55 -2.95 -0.00 0.00 0.00 179.97 177.62 3khd h ASN 250 N 0.07 0.91 0.20 0.08 -1.07 -0.90 -3.02 115.58 111.84 3khd h ASN 250 Ca -0.24 -0.49 -0.07 0.00 0.07 0.00 0.00 56.30 55.57 3khd h ASN 250 Cb 2.03 -0.26 -0.01 0.00 -2.07 0.00 0.00 38.32 38.00 3khd h ASN 250 CO 0.17 1.27 -0.27 -0.07 0.07 0.00 0.00 177.43 178.60 3khd h LEU 251 N 0.62 0.13 -0.31 6.14 3.38 -1.52 -2.94 115.31 120.82 3khd h LEU 251 Ca 0.01 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 3khd h LEU 251 Cb 1.15 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 3khd h LEU 251 CO 0.12 0.41 -0.33 -0.07 0.09 0.00 0.00 178.44 178.65 3khd h LEU 252 N 0.12 0.83 0.00 1.67 3.38 -1.58 -3.48 115.31 116.25 3khd h LEU 252 Ca 0.02 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3khd h LEU 252 Cb 0.55 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3khd h LEU 252 CO 0.04 1.14 0.00 0.61 0.09 0.00 0.00 178.44 180.32 3khd n GLY 253 N 0.18 -0.95 0.20 0.83 0.00 -1.11 -1.35 105.19 102.99 3khd n GLY 253 Ca -0.04 -1.13 0.04 0.00 0.00 0.00 0.00 46.02 44.90 3khd n GLY 253 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3khd h PRO 254 N 0.00 0.00 -0.03 1.61 0.13 -1.91 -1.44 132.00 130.36 3khd h PRO 254 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.99 3khd h PRO 254 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 3khd h PRO 254 CO 0.00 0.30 -0.62 0.00 -0.23 0.00 0.00 178.00 177.45 3khd h ARG 255 N 0.00 0.11 -0.63 0.86 -0.00 -2.00 -3.15 114.38 109.57 3khd h ARG 255 Ca -0.00 -0.08 -0.24 0.00 -0.50 0.00 0.00 59.98 59.16 3khd h ARG 255 Cb 0.56 0.01 -0.14 0.00 0.00 0.00 0.00 29.97 30.41 3khd h ARG 255 CO 0.04 0.70 0.23 0.41 0.00 0.00 0.00 179.97 181.34 3khd n GLY 256 N 0.28 4.17 0.24 0.04 0.00 -0.46 -4.59 105.19 104.87 3khd n GLY 256 Ca -0.02 -1.08 0.14 0.00 0.00 0.00 0.00 46.02 45.06 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 1.83 0.00 0.00 1.61 2.47 -1.24 -3.17 114.38 115.88 3khd h ARG 257 Ca 0.29 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.01 3khd h ARG 257 Cb 2.16 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.48 3khd h ARG 257 CO 0.66 0.05 -1.05 0.72 0.56 0.00 0.00 179.97 180.91 3khd n HIS 258 N -3.13 0.57 -2.46 3.04 8.25 -1.26 -4.88 115.22 115.35 3khd n HIS 258 Ca 0.02 0.16 -0.42 0.00 -0.26 0.00 0.00 57.72 57.22 3khd n HIS 258 Cb 0.44 -0.69 -0.03 0.00 1.12 0.00 0.00 29.99 30.83 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 -3.29 4.25 0.19 1.59 1.09 -1.20 -4.99 121.20 118.83 3khd s ILE 259 Ca 0.01 1.58 -0.23 0.00 -1.10 0.00 0.00 60.65 60.91 3khd s ILE 259 Cb 0.12 -4.01 -0.08 0.00 -1.06 0.00 0.00 42.46 37.43 3khd s ILE 259 CO 0.79 0.01 0.76 -0.54 -0.10 0.00 0.00 174.94 175.86 3khd s LYS 260 N 2.11 4.46 -0.24 2.79 3.01 0.50 -4.94 119.74 127.43 3khd s LYS 260 Ca 0.56 1.06 -0.08 0.00 -1.01 0.00 0.00 55.97 56.50 3khd s LYS 260 Cb -0.25 -3.12 -0.03 0.00 -1.01 0.00 0.00 37.83 33.41 3khd s LYS 260 CO 0.23 0.51 0.08 0.42 0.51 0.00 0.00 175.35 177.10 3khd s ILE 261 N -1.28 4.56 -0.33 2.17 1.01 -1.26 -0.42 121.20 125.64 3khd s ILE 261 Ca 0.38 -0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.96 3khd s ILE 261 Cb -0.21 -3.12 0.10 0.00 0.01 0.00 0.00 42.46 39.25 3khd s ILE 261 CO 0.24 0.36 0.07 -0.63 0.00 0.00 0.00 174.94 174.97 3khd s ILE 262 N 1.33 1.78 0.09 2.92 1.09 0.23 -1.71 121.20 126.94 3khd s ILE 262 Ca 0.05 -2.01 -0.31 0.00 -1.10 0.00 0.00 60.65 57.28 3khd s ILE 262 Cb -0.15 -2.33 -0.08 0.00 -1.06 0.00 0.00 42.46 38.84 3khd s ILE 262 CO 0.04 -0.63 1.59 -2.84 -0.10 0.00 0.00 174.94 173.01 3khd s PRO 263 N 1.15 4.22 0.07 2.79 0.02 -1.24 -2.26 135.00 139.75 3khd s PRO 263 Ca 0.11 2.29 -0.16 0.00 0.02 0.00 0.00 61.00 63.26 3khd s PRO 263 Cb -0.18 -3.46 -0.06 0.00 0.02 0.00 0.00 34.50 30.82 3khd s PRO 263 CO -0.14 -0.67 0.50 0.15 -0.33 0.00 0.00 177.00 176.51 3khd s LYS 264 N 2.13 4.03 -0.27 5.54 -0.14 -0.53 -1.76 119.74 128.74 3khd s LYS 264 Ca 0.71 0.53 -0.00 0.00 -1.36 0.00 0.00 55.97 55.86 3khd s LYS 264 Cb -0.40 -3.15 0.05 0.00 -1.68 0.00 0.00 37.83 32.65 3khd s LYS 264 CO 0.31 0.62 -0.06 0.42 -0.76 0.00 0.00 175.35 175.88 3khd s ILE 265 N -1.20 2.68 -0.04 2.17 1.01 -1.19 -3.62 121.20 121.00 3khd s ILE 265 Ca 0.29 -1.36 0.01 0.00 0.00 0.00 0.00 60.65 59.60 3khd s ILE 265 Cb -0.17 -2.49 -0.02 0.00 0.01 0.00 0.00 42.46 39.79 3khd s ILE 265 CO 0.17 0.01 0.05 -0.62 0.00 0.00 0.00 174.94 174.55 3khd n GLU 266 N 4.58 4.60 -4.68 2.79 -0.58 -1.26 -4.45 120.64 121.64 3khd n GLU 266 Ca -0.15 -0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.28 3khd n GLU 266 Cb 0.44 -0.70 -0.13 0.00 -0.57 0.00 0.00 31.44 30.48 3khd n GLU 266 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3khd s ASN 267 N -1.43 3.88 0.32 1.62 3.84 -1.26 -4.46 114.94 117.46 3khd s ASN 267 Ca 0.00 -0.38 0.01 0.00 0.21 0.00 0.00 52.86 52.70 3khd s ASN 267 Cb 0.01 -0.67 0.54 0.00 -0.55 0.00 0.00 41.25 40.58 3khd s ASN 267 CO 0.05 0.27 1.94 0.16 -2.79 0.00 0.00 177.10 176.73 3khd h ILE 268 N 3.98 1.19 -0.31 -5.21 -0.00 -1.96 -1.90 117.51 113.30 3khd h ILE 268 Ca -0.47 -0.48 -0.02 0.00 -0.00 0.00 0.00 64.86 63.88 3khd h ILE 268 Cb 1.15 0.36 -0.02 0.00 -0.00 0.00 0.00 36.82 38.32 3khd h ILE 268 CO 0.48 0.21 0.10 -0.08 -0.00 0.00 0.00 178.15 178.87 3khd h GLU 269 N 0.86 0.43 -0.31 0.16 4.57 -1.95 -2.23 114.58 116.12 3khd h GLU 269 Ca 0.22 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 58.26 3khd h GLU 269 Cb 0.03 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 3khd h GLU 269 CO -0.03 0.38 -0.18 0.78 -1.18 0.00 0.00 179.01 178.78 3khd h GLY 270 N 0.61 0.59 1.47 1.92 0.00 -1.50 -2.24 103.07 103.92 3khd h GLY 270 Ca 0.11 -0.45 -0.14 0.00 0.00 0.00 0.00 47.33 46.84 3khd h GLY 270 CO -0.01 0.41 -0.46 -2.22 0.00 0.00 0.00 176.54 174.27 3khd h ILE 271 N 0.50 1.31 -0.20 2.60 2.04 -1.30 -0.93 117.51 121.52 3khd h ILE 271 Ca 0.08 -1.66 -0.09 0.00 1.00 0.00 0.00 64.86 64.20 3khd h ILE 271 Cb 0.59 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 3khd h ILE 271 CO 0.04 0.52 -0.25 0.40 0.00 0.00 0.00 178.15 178.86 3khd h ILE 272 N 0.46 1.25 -0.50 -0.67 2.04 -1.18 -2.87 117.51 116.05 3khd h ILE 272 Ca 0.03 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.69 3khd h ILE 272 Cb 0.98 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 3khd h ILE 272 CO 0.09 0.37 0.00 1.41 0.00 0.00 0.00 178.15 180.02 3khd n HIS 273 N -4.14 1.28 -0.32 1.37 8.25 -0.87 -4.72 115.22 116.08 3khd n HIS 273 Ca -0.01 -0.68 0.08 0.00 -0.26 0.00 0.00 57.72 56.85 3khd n HIS 273 Cb 0.38 -0.27 0.24 0.00 1.12 0.00 0.00 29.99 31.47 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 3.19 0.91 -0.61 4.41 3.57 -0.93 -0.11 116.94 127.38 3khd h PHE 274 Ca 0.00 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 3khd h PHE 274 Cb 1.42 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.86 3khd h PHE 274 CO 0.67 0.27 0.21 -0.44 -2.23 0.00 0.00 178.31 176.78 3khd h ASP 275 N 0.75 0.86 0.30 0.41 5.19 -1.84 0.13 116.42 122.21 3khd h ASP 275 Ca 0.49 -0.19 -0.13 0.00 -0.62 0.00 0.00 57.03 56.58 3khd h ASP 275 Cb 0.64 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.91 3khd h ASP 275 CO -0.33 0.83 -0.50 0.11 -3.12 0.00 0.00 179.24 176.22 3khd h LYS 276 N 0.85 0.24 -0.13 3.56 6.56 -1.58 -2.69 116.57 123.38 3khd h LYS 276 Ca 0.20 -0.14 -0.20 0.00 -1.06 0.00 0.00 60.65 59.46 3khd h LYS 276 Cb 0.26 0.01 0.01 0.00 -0.57 0.00 0.00 32.23 31.94 3khd h LYS 276 CO -0.01 0.69 -0.69 0.82 -2.06 0.00 0.00 179.45 178.20 3khd h ILE 277 N 0.19 1.31 -0.90 1.86 2.04 -0.84 -3.29 117.51 117.88 3khd h ILE 277 Ca 0.01 -1.93 -0.00 0.00 1.00 0.00 0.00 64.86 63.93 3khd h ILE 277 Cb 0.95 2.09 -0.04 0.00 -0.74 0.00 0.00 36.82 39.08 3khd h ILE 277 CO 0.08 0.60 0.56 0.25 0.00 0.00 0.00 178.15 179.64 3khd h LEU 278 N 0.37 1.07 -1.25 1.44 6.46 -0.68 -2.15 115.31 120.57 3khd h LEU 278 Ca -0.05 -0.05 -0.05 0.00 -0.12 0.00 0.00 57.88 57.61 3khd h LEU 278 Cb 1.33 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.97 3khd h LEU 278 CO 0.14 0.81 -0.02 0.00 -0.62 0.00 0.00 178.44 178.75 3khd h ALA 279 N 1.38 1.39 0.00 1.25 0.00 -1.55 -3.07 119.26 118.66 3khd h ALA 279 Ca 0.33 -0.20 -0.30 0.00 0.00 0.00 0.00 54.91 54.73 3khd h ALA 279 Cb -0.08 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 3khd h ALA 279 CO -0.06 0.43 -1.92 0.39 0.00 0.00 0.00 179.25 178.08 3khd n GLU 280 N -4.28 0.65 -1.43 0.00 -0.58 -1.18 -4.99 120.64 108.83 3khd n GLU 280 Ca 0.01 0.17 -0.30 0.00 -0.42 0.00 0.00 57.16 56.63 3khd n GLU 280 Cb 0.25 -1.69 0.11 0.00 -0.57 0.00 0.00 31.44 29.53 3khd n GLU 280 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3khd s SER 281 N -5.82 4.11 -0.34 1.62 1.04 -0.82 -4.97 113.70 108.53 3khd s SER 281 Ca -0.06 1.36 0.09 0.00 0.48 0.00 0.00 55.95 57.82 3khd s SER 281 Cb 0.07 -2.07 0.73 0.00 0.10 0.00 0.00 66.02 64.86 3khd s SER 281 CO 0.83 -2.22 1.81 0.47 0.98 0.00 0.00 173.24 175.11 3khd n ASP 282 N -3.60 4.66 0.00 7.02 9.92 -0.69 -4.96 116.55 128.90 3khd n ASP 282 Ca 0.07 -3.28 0.00 0.00 -0.53 0.00 0.00 54.79 51.05 3khd n ASP 282 Cb 0.56 -0.75 0.00 0.00 -0.64 0.00 0.00 41.12 40.29 3khd n ASP 282 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3khd n GLY 283 N -0.30 3.51 3.34 0.44 0.00 -1.26 -4.49 105.19 106.44 3khd n GLY 283 Ca 0.43 -1.81 -0.24 0.00 0.00 0.00 0.00 46.02 44.40 3khd n GLY 283 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3khd s ILE 284 N -2.52 1.92 -0.12 -0.61 -5.25 -0.93 -3.59 121.20 110.10 3khd s ILE 284 Ca 0.00 -1.81 0.01 0.00 -0.99 0.00 0.00 60.65 57.87 3khd s ILE 284 Cb 0.00 -1.82 -0.01 0.00 2.95 0.00 0.00 42.46 43.59 3khd s ILE 284 CO 0.00 -0.17 -0.17 -0.32 -1.79 0.00 0.00 174.94 172.50 3khd s MET 285 N -2.43 3.27 -0.04 0.37 -2.45 -0.72 -1.68 119.30 115.61 3khd s MET 285 Ca 0.13 -0.75 0.05 0.00 -1.25 0.00 0.00 55.69 53.87 3khd s MET 285 Cb -0.08 -2.52 -0.00 0.00 1.25 0.00 0.00 34.83 33.47 3khd s MET 285 CO 0.06 0.19 -0.18 -1.50 1.05 0.00 0.00 175.02 174.65 3khd s ILE 286 N 0.38 1.47 -0.03 10.11 1.10 0.13 -3.19 121.20 131.16 3khd s ILE 286 Ca -0.13 -0.75 0.04 0.00 -0.51 0.00 0.00 60.65 59.31 3khd s ILE 286 Cb -0.17 -1.26 -0.01 0.00 0.15 0.00 0.00 42.46 41.18 3khd s ILE 286 CO 0.06 0.42 -0.16 0.00 -2.11 0.00 0.00 174.94 173.16 3khd s ALA 287 N -0.03 1.37 0.15 1.50 0.00 -1.26 0.13 121.76 123.62 3khd s ALA 287 Ca -0.03 -0.65 -0.11 0.00 0.00 0.00 0.00 51.96 51.18 3khd s ALA 287 Cb -0.11 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 3khd s ALA 287 CO 0.02 0.28 1.52 -0.09 0.00 0.00 0.00 175.76 177.49 3khd h ARG 288 N 6.07 0.97 -0.23 0.00 2.43 -1.94 -3.09 114.38 118.59 3khd h ARG 288 Ca -0.34 -0.44 -0.08 0.00 -0.81 0.00 0.00 59.98 58.31 3khd h ARG 288 Cb 1.17 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 3khd h ARG 288 CO 0.48 1.11 -0.22 0.78 -1.51 0.00 0.00 179.97 180.61 3khd h GLY 289 N 0.81 0.45 1.97 2.80 0.00 -1.98 -3.02 103.07 104.10 3khd h GLY 289 Ca 0.10 -0.34 -0.10 0.00 0.00 0.00 0.00 47.33 46.98 3khd h GLY 289 CO 0.07 0.32 -0.48 -0.55 0.00 0.00 0.00 176.54 175.90 3khd h ASP 290 N 0.37 0.03 0.39 0.19 3.45 -1.88 -3.23 116.42 115.75 3khd h ASP 290 Ca 0.06 -0.02 -0.13 0.00 0.43 0.00 0.00 57.03 57.37 3khd h ASP 290 Cb 0.59 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.34 3khd h ASP 290 CO 0.04 0.51 -0.57 -0.07 -1.57 0.00 0.00 179.24 177.58 3khd h LEU 291 N 0.03 0.21 -9.91 1.55 3.38 -1.45 -3.42 115.31 105.70 3khd h LEU 291 Ca -0.00 -0.11 -0.48 0.00 0.09 0.00 0.00 57.88 57.37 3khd h LEU 291 Cb 0.86 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.56 3khd h LEU 291 CO 0.06 0.73 0.41 -0.83 0.09 0.00 0.00 178.44 178.91 3khd s GLY 292 N -4.33 2.82 0.00 0.83 0.00 -1.22 -4.92 107.32 100.50 3khd s GLY 292 Ca -0.04 0.70 0.00 0.00 0.00 0.00 0.00 44.72 45.39 3khd s GLY 292 CO 0.78 1.17 0.00 -1.14 0.00 0.00 0.00 173.10 173.92 3khd n SER 296 N 0.34 0.00 0.05 1.64 3.41 -1.26 -5.17 113.62 112.63 3khd n SER 296 Ca 0.03 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.76 3khd n SER 296 Cb 0.49 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.67 3khd n SER 296 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 3khd n PRO 297 N 0.00 0.22 0.10 4.33 -0.04 -1.26 -4.14 135.00 134.21 3khd n PRO 297 Ca 0.00 0.08 -0.00 0.00 -0.04 0.00 0.00 63.50 63.54 3khd n PRO 297 Cb 0.00 -1.65 0.29 0.00 -0.04 0.00 0.00 33.50 32.10 3khd n PRO 297 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3khd h GLU 298 N 0.00 0.25 -0.85 0.54 5.08 -2.07 -3.26 114.58 114.27 3khd h GLU 298 Ca 0.00 -0.09 -0.57 0.00 -1.00 0.00 0.00 59.36 57.70 3khd h GLU 298 Cb 0.69 -0.02 -0.31 0.00 0.50 0.00 0.00 28.75 29.61 3khd h GLU 298 CO 0.00 0.52 0.26 1.63 -1.00 0.00 0.00 179.01 180.42 3khd n LYS 299 N -4.13 2.82 0.04 2.33 5.02 -1.26 -4.62 118.16 118.37 3khd n LYS 299 Ca -0.01 -3.51 -0.08 0.00 -2.02 0.00 0.00 58.31 52.69 3khd n LYS 299 Cb 0.39 -2.22 -0.13 0.00 -0.02 0.00 0.00 35.03 33.05 3khd n LYS 299 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 3khd h VAL 300 N 1.34 1.50 0.00 -0.18 3.04 -1.81 -3.33 116.25 116.81 3khd h VAL 300 Ca 0.50 -3.23 -0.12 0.00 -1.01 0.00 0.00 66.70 62.83 3khd h VAL 300 Cb 1.30 2.75 -0.02 0.00 -2.01 0.00 0.00 31.29 33.31 3khd h VAL 300 CO 1.18 0.86 -0.59 2.19 -1.01 0.00 0.00 177.57 180.19 3khd h PHE 301 N 0.00 0.00 -0.26 3.17 -5.15 -1.88 -3.35 116.94 109.48 3khd h PHE 301 Ca -0.08 0.00 0.04 0.00 -0.20 0.00 0.00 57.97 57.73 3khd h PHE 301 Cb 1.84 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 37.97 3khd h PHE 301 CO 0.00 0.57 0.02 -0.07 -2.00 0.00 0.00 178.31 176.84 3khd h LEU 302 N 0.00 -0.06 -0.26 2.10 3.38 -1.90 -2.07 115.31 116.50 3khd h LEU 302 Ca -0.01 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.06 3khd h LEU 302 Cb 1.44 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 42.23 3khd h LEU 302 CO 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 178.44 178.60 3khd h ALA 303 N 1.21 0.22 -0.49 1.53 0.00 -1.74 0.16 119.26 120.15 3khd h ALA 303 Ca 0.12 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.20 3khd h ALA 303 Cb 0.14 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 3khd h ALA 303 CO -0.18 -0.43 0.04 0.37 0.00 0.00 0.00 179.25 179.05 3khd h GLN 304 N 0.07 0.15 -0.13 0.00 4.15 -1.64 -1.43 115.11 116.28 3khd h GLN 304 Ca 0.12 -0.01 -0.22 0.00 0.77 0.00 0.00 58.65 59.31 3khd h GLN 304 Cb 0.17 -0.03 0.01 0.00 0.21 0.00 0.00 27.48 27.83 3khd h GLN 304 CO -0.22 0.10 -0.79 0.87 -1.93 0.00 0.00 178.83 176.86 3khd h LYS 305 N 0.16 0.74 -0.19 1.69 1.57 -0.87 -2.66 116.57 117.01 3khd h LYS 305 Ca 0.25 -0.62 -0.00 0.00 -1.87 0.00 0.00 60.65 58.40 3khd h LYS 305 Cb 0.36 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3khd h LYS 305 CO -0.37 1.22 0.10 1.25 -0.57 0.00 0.00 179.45 181.08 3khd h LEU 306 N 0.50 0.24 -0.17 2.94 5.85 -0.53 -2.83 115.31 121.31 3khd h LEU 306 Ca -0.06 -0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.46 3khd h LEU 306 Cb 1.42 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.39 3khd h LEU 306 CO 0.16 0.26 -0.34 0.24 -0.34 0.00 0.00 178.44 178.42 3khd h MET 307 N 0.20 0.53 -0.57 1.25 2.86 -1.33 -2.11 114.93 115.77 3khd h MET 307 Ca 0.07 -0.34 0.03 0.00 -2.06 0.00 0.00 59.70 57.39 3khd h MET 307 Cb 0.08 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.74 3khd h MET 307 CO -0.01 0.95 0.34 0.82 1.06 0.00 0.00 176.91 180.07 3khd h ILE 308 N 0.18 1.06 -0.61 -1.22 2.04 -1.55 -0.90 117.51 116.51 3khd h ILE 308 Ca 0.01 -0.23 -0.10 0.00 1.00 0.00 0.00 64.86 65.54 3khd h ILE 308 Cb 0.93 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 3khd h ILE 308 CO 0.08 0.12 -0.01 0.28 0.00 0.00 0.00 178.15 178.62 3khd h SER 309 N 0.67 1.06 0.05 1.72 0.02 -1.49 -0.53 113.55 115.05 3khd h SER 309 Ca 0.23 -0.31 -0.09 0.00 -0.84 0.00 0.00 61.79 60.78 3khd h SER 309 Cb 0.03 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 3khd h SER 309 CO -0.10 1.11 -0.28 0.11 -1.14 0.00 0.00 176.83 176.53 3khd h LYS 310 N 0.98 0.36 -0.21 3.45 1.57 -1.08 -1.98 116.57 119.66 3khd h LYS 310 Ca 0.17 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 3khd h LYS 310 Cb 0.57 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 3khd h LYS 310 CO 0.03 0.61 -0.10 0.00 -0.57 0.00 0.00 179.45 179.42 3khd h ASN 312 N 0.14 0.67 0.43 0.00 4.21 -0.82 0.30 115.58 120.52 3khd h ASN 312 Ca 0.05 0.07 -0.17 0.00 1.21 0.00 0.00 56.30 57.46 3khd h ASN 312 Cb 0.60 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.73 3khd h ASN 312 CO 0.03 0.34 -0.72 -0.07 -1.29 0.00 0.00 177.43 175.72 3khd h LEU 313 N 0.76 0.28 0.00 1.61 3.38 -1.40 -3.20 115.31 116.75 3khd h LEU 313 Ca 0.45 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 3khd h LEU 313 Cb 0.53 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3khd h LEU 313 CO -0.30 0.91 -0.61 -0.61 0.09 0.00 0.00 178.44 177.92 3khd h GLN 314 N 0.16 0.00 0.00 1.13 5.75 -1.03 -3.47 115.11 117.65 3khd h GLN 314 Ca -0.02 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 3khd h GLN 314 Cb 1.27 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.82 3khd h GLN 314 CO 0.11 0.13 0.00 0.41 -2.65 0.00 0.00 178.83 176.84 3khd n GLY 315 N 1.19 0.72 3.76 2.39 0.00 0.99 -5.06 105.19 109.18 3khd n GLY 315 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.70 4.68 0.33 1.61 3.01 -1.04 -4.86 119.74 122.77 3khd s LYS 316 Ca 0.00 1.68 -0.27 0.00 -1.01 0.00 0.00 55.97 56.37 3khd s LYS 316 Cb 0.00 -3.17 -0.09 0.00 -1.01 0.00 0.00 37.83 33.56 3khd s LYS 316 CO 0.00 0.29 1.06 -1.25 0.51 0.00 0.00 175.35 175.96 3khd s PRO 317 N -1.44 4.44 -0.12 -1.68 0.05 -1.26 -4.38 135.00 130.61 3khd s PRO 317 Ca 0.44 1.64 0.02 0.00 0.05 0.00 0.00 61.00 63.15 3khd s PRO 317 Cb -0.29 -2.90 -0.00 0.00 0.05 0.00 0.00 34.50 31.36 3khd s PRO 317 CO 0.37 0.08 -0.19 -1.50 0.05 0.00 0.00 177.00 175.80 3khd s ILE 318 N -1.40 2.41 -0.23 0.56 1.10 -1.26 -2.19 121.20 120.20 3khd s ILE 318 Ca 0.50 -0.88 -0.06 0.00 -0.51 0.00 0.00 60.65 59.70 3khd s ILE 318 Cb -0.27 -1.97 -0.03 0.00 0.15 0.00 0.00 42.46 40.34 3khd s ILE 318 CO 0.34 0.54 0.04 -0.63 -2.11 0.00 0.00 174.94 173.12 3khd s ILE 319 N 0.51 4.19 -0.55 2.00 1.01 -0.68 -1.47 121.20 126.20 3khd s ILE 319 Ca -0.13 -0.22 -0.20 0.00 0.00 0.00 0.00 60.65 60.10 3khd s ILE 319 Cb -0.17 -2.93 0.07 0.00 0.01 0.00 0.00 42.46 39.44 3khd s ILE 319 CO 0.05 0.38 0.73 -0.89 0.00 0.00 0.00 174.94 175.21 3khd s THR 320 N 1.35 4.72 -0.64 2.92 2.01 -0.55 0.17 115.64 125.61 3khd s THR 320 Ca 0.05 -0.44 0.25 0.00 0.31 0.00 0.00 61.69 61.86 3khd s THR 320 Cb -0.15 -4.42 0.24 0.00 0.01 0.00 0.00 72.50 68.18 3khd s THR 320 CO 0.02 -1.00 1.63 0.00 -0.69 0.00 0.00 174.62 174.59 3khd h ALA 321 N 9.15 0.90 -1.81 7.40 0.00 0.78 -2.75 119.26 132.94 3khd h ALA 321 Ca -0.28 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 53.97 3khd h ALA 321 Cb 1.09 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.93 3khd h ALA 321 CO 1.04 0.00 0.54 2.41 0.00 0.00 0.00 179.25 183.24 3khd n THR 322 N -2.40 0.01 -2.14 0.00 -1.04 -1.23 -4.70 114.28 102.77 3khd n THR 322 Ca 0.05 -0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.68 3khd n THR 322 Cb 0.45 -0.99 -0.03 0.00 -1.82 0.00 0.00 70.33 67.94 3khd n THR 322 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 3khd s GLN 323 N 0.66 2.74 0.14 -2.82 0.74 -1.26 -4.64 119.66 115.22 3khd s GLN 323 Ca 0.84 0.26 0.11 0.00 0.05 0.00 0.00 55.36 56.61 3khd s GLN 323 Cb -0.89 -4.50 -0.12 0.00 1.10 0.00 0.00 33.01 28.59 3khd s GLN 323 CO 0.45 -2.72 1.22 0.52 -0.55 0.00 0.00 175.29 174.21 3khd h MET 324 N 13.38 0.00 -2.00 1.67 2.86 -1.89 -3.39 114.93 125.56 3khd h MET 324 Ca -0.19 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 56.89 3khd h MET 324 Cb 1.11 0.00 -0.42 0.00 0.06 0.00 0.00 31.60 32.36 3khd h MET 324 CO 1.24 0.74 -0.78 1.28 1.06 0.00 0.00 176.91 180.44 3khd n LEU 325 N -3.24 3.77 0.09 1.22 4.77 -1.26 -4.73 117.00 117.61 3khd n LEU 325 Ca -0.02 -5.36 0.08 0.00 -0.03 0.00 0.00 56.01 50.68 3khd n LEU 325 Cb 0.88 -0.27 0.38 0.00 -2.33 0.00 0.00 43.42 42.08 3khd n LEU 325 CO 0.45 2.27 0.75 -0.62 -1.33 0.00 0.00 177.39 178.91 3khd n GLU 326 N -0.20 0.10 0.15 3.23 -0.58 -1.26 -1.78 120.64 120.30 3khd n GLU 326 Ca 0.30 0.46 0.03 0.00 -0.42 0.00 0.00 57.16 57.54 3khd n GLU 326 Cb 0.52 -1.74 0.14 0.00 -0.57 0.00 0.00 31.44 29.78 3khd n GLU 326 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 3khd h SER 327 N 0.00 0.00 0.51 1.62 0.87 -1.95 -3.30 113.55 111.30 3khd h SER 327 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3khd h SER 327 Cb 0.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 3khd h SER 327 CO 0.00 0.48 0.00 0.23 -0.53 0.00 0.00 176.83 177.01 3khd n MET 328 N -3.34 0.02 0.21 2.24 2.00 -0.73 -1.64 117.12 115.87 3khd n MET 328 Ca 0.01 0.27 0.07 0.00 0.00 0.00 0.00 57.70 58.05 3khd n MET 328 Cb 0.66 -1.53 0.47 0.00 0.00 0.00 0.00 33.22 32.82 3khd n MET 328 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 3khd h THR 329 N 0.00 0.93 0.00 2.03 1.35 -1.75 -3.35 112.91 112.12 3khd h THR 329 Ca 0.00 -1.09 0.00 0.00 -0.55 0.00 0.00 66.41 64.77 3khd h THR 329 Cb 0.25 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 3khd h THR 329 CO 0.00 0.28 -0.63 2.29 -0.25 0.00 0.00 175.52 177.21 3khd n LYS 330 N -3.80 2.45 -4.21 4.72 0.00 -1.14 -0.46 118.16 115.72 3khd n LYS 330 Ca -0.01 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.97 3khd n LYS 330 Cb 0.38 -0.81 -0.08 0.00 -0.00 0.00 0.00 35.03 34.51 3khd n LYS 330 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 3khd s ASN 331 N -2.04 5.27 0.20 -5.58 -0.87 -0.65 -4.89 114.94 106.36 3khd s ASN 331 Ca 0.00 0.01 -0.02 0.00 -1.57 0.00 0.00 52.86 51.28 3khd s ASN 331 Cb 0.00 -1.40 0.14 0.00 -0.02 0.00 0.00 41.25 39.96 3khd s ASN 331 CO 0.00 0.26 1.52 1.55 -2.57 0.00 0.00 177.10 177.86 3khd h PRO 332 N 4.15 0.54 -6.59 -0.60 0.13 -1.86 -3.37 132.00 124.39 3khd h PRO 332 Ca -0.49 -0.33 -0.69 0.00 -0.87 0.00 0.00 66.00 63.62 3khd h PRO 332 Cb 1.18 0.03 -0.25 0.00 0.13 0.00 0.00 31.00 32.09 3khd h PRO 332 CO 0.59 0.93 -0.84 1.03 -0.23 0.00 0.00 178.00 179.48 3khd s ARG 333 N -4.01 2.06 0.77 0.86 0.52 -1.26 -4.82 118.95 113.07 3khd s ARG 333 Ca -0.07 -0.97 -0.11 0.00 -0.52 0.00 0.00 55.73 54.07 3khd s ARG 333 Cb 0.11 -2.12 0.07 0.00 0.52 0.00 0.00 34.95 33.53 3khd s ARG 333 CO 0.84 0.55 1.13 -1.25 0.02 0.00 0.00 175.30 176.58 3khd s PRO 334 N -1.09 2.14 0.60 3.54 0.04 -1.26 -4.84 135.00 134.13 3khd s PRO 334 Ca 0.12 0.06 -0.16 0.00 0.04 0.00 0.00 61.00 61.06 3khd s PRO 334 Cb -0.10 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 3khd s PRO 334 CO 0.02 -1.43 1.08 0.95 0.04 0.00 0.00 177.00 177.66 3khd s THR 335 N -3.47 3.58 0.42 1.26 -4.23 -1.26 -4.93 115.64 107.01 3khd s THR 335 Ca 0.61 0.78 0.08 0.00 -1.18 0.00 0.00 61.69 61.98 3khd s THR 335 Cb -0.11 -3.29 0.27 0.00 1.34 0.00 0.00 72.50 70.70 3khd s THR 335 CO 0.48 -0.41 2.07 0.08 -0.54 0.00 0.00 174.62 176.30 3khd h ARG 336 N 0.45 0.49 -0.27 3.99 -0.00 -2.01 -2.31 114.38 114.72 3khd h ARG 336 Ca -0.47 -0.03 -0.14 0.00 -0.00 0.00 0.00 59.98 59.34 3khd h ARG 336 Cb 1.23 -0.11 -0.01 0.00 -0.00 0.00 0.00 29.97 31.08 3khd h ARG 336 CO 0.56 0.32 -0.41 0.00 -0.00 0.00 0.00 179.97 180.45 3khd h ALA 337 N 1.77 0.79 -0.39 0.08 0.00 -2.00 -2.94 119.26 116.57 3khd h ALA 337 Ca 0.14 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 3khd h ALA 337 Cb -0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3khd h ALA 337 CO -0.03 0.65 -0.21 0.93 0.00 0.00 0.00 179.25 180.60 3khd h GLU 338 N 0.53 0.77 -0.23 0.00 5.08 -1.71 -1.97 114.58 117.04 3khd h GLU 338 Ca 0.04 -0.30 0.02 0.00 -1.00 0.00 0.00 59.36 58.13 3khd h GLU 338 Cb 0.93 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 3khd h GLU 338 CO 0.08 0.91 0.07 0.28 -1.00 0.00 0.00 179.01 179.35 3khd h VAL 339 N 0.67 0.93 -0.41 3.13 2.07 -1.46 -2.48 116.25 118.70 3khd h VAL 339 Ca 0.10 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.60 3khd h VAL 339 Cb 0.71 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 3khd h VAL 339 CO 0.05 0.03 0.19 0.74 0.02 0.00 0.00 177.57 178.60 3khd h THR 340 N 0.17 0.94 -0.38 2.57 2.02 -1.32 -1.98 112.91 114.93 3khd h THR 340 Ca 0.10 -0.13 0.07 0.00 0.77 0.00 0.00 66.41 67.22 3khd h THR 340 Cb 0.07 0.53 -0.06 0.00 -1.74 0.00 0.00 68.15 66.95 3khd h THR 340 CO -0.11 0.07 0.02 -0.78 0.37 0.00 0.00 175.52 175.09 3khd h ASP 341 N 0.38 -0.11 -0.20 4.18 -0.00 -1.15 -0.28 116.42 119.24 3khd h ASP 341 Ca 0.18 0.08 0.00 0.00 -0.00 0.00 0.00 57.03 57.30 3khd h ASP 341 Cb 0.12 0.14 -0.01 0.00 -0.00 0.00 0.00 39.33 39.57 3khd h ASP 341 CO -0.15 -0.02 0.13 0.58 -0.00 0.00 0.00 179.24 179.78 3khd h VAL 342 N 0.13 1.05 -0.61 2.25 2.07 -1.15 -2.46 116.25 117.52 3khd h VAL 342 Ca 0.18 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.63 3khd h VAL 342 Cb 0.25 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 3khd h VAL 342 CO -0.29 0.05 0.39 0.00 0.02 0.00 0.00 177.57 177.73 3khd h ALA 343 N 1.08 0.79 -0.71 1.67 0.00 -0.87 -2.14 119.26 119.07 3khd h ALA 343 Ca 0.08 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3khd h ALA 343 Cb -0.03 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 3khd h ALA 343 CO -0.02 0.14 0.47 -0.91 0.00 0.00 0.00 179.25 178.94 3khd h ASN 344 N 0.77 0.79 -0.31 0.00 2.35 -0.91 -0.78 115.58 117.49 3khd h ASN 344 Ca 0.24 -0.02 -0.15 0.00 -0.55 0.00 0.00 56.30 55.83 3khd h ASN 344 Cb -0.01 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 3khd h ASN 344 CO -0.09 0.57 -0.37 0.00 -1.65 0.00 0.00 177.43 175.89 3khd h ALA 345 N 1.57 0.67 -0.34 -0.83 0.00 -0.94 0.17 119.26 119.55 3khd h ALA 345 Ca 0.27 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3khd h ALA 345 Cb -0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3khd h ALA 345 CO -0.06 0.67 0.11 0.28 0.00 0.00 0.00 179.25 180.24 3khd h VAL 346 N 0.70 1.21 0.00 0.00 2.07 -1.09 -2.85 116.25 116.29 3khd h VAL 346 Ca 0.06 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 3khd h VAL 346 Cb 0.93 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 3khd h VAL 346 CO 0.09 0.23 -0.01 -0.07 0.02 0.00 0.00 177.57 177.83 3khd h LEU 347 N 0.40 0.00 -1.10 2.57 3.38 -1.03 -2.38 115.31 117.15 3khd h LEU 347 Ca 0.11 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 3khd h LEU 347 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3khd h LEU 347 CO -0.00 0.01 -0.39 0.44 0.09 0.00 0.00 178.44 178.59 3khd h ASP 348 N 0.00 0.00 0.00 -0.43 3.45 -0.46 -1.39 116.42 117.59 3khd h ASP 348 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3khd h ASP 348 Cb 0.66 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.43 3khd h ASP 348 CO 0.00 0.39 0.00 0.61 -1.57 0.00 0.00 179.24 178.67 3khd n GLY 349 N -0.05 1.91 3.78 2.75 0.00 -0.89 -3.81 105.19 108.87 3khd n GLY 349 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 3.39 -0.01 2.61 -1.32 -1.09 -4.89 115.64 112.33 3khd s THR 350 Ca 0.00 0.99 -0.10 0.00 -1.21 0.00 0.00 61.69 61.37 3khd s THR 350 Cb 0.00 -3.48 -0.32 0.00 -1.51 0.00 0.00 72.50 67.20 3khd s THR 350 CO 0.00 -0.06 0.83 0.44 -2.21 0.00 0.00 174.62 173.62 3khd h ASP 351 N 1.97 0.63 -4.72 8.08 3.32 -1.64 -3.47 116.42 120.59 3khd h ASP 351 Ca -0.49 -0.82 -0.21 0.00 0.02 0.00 0.00 57.03 55.53 3khd h ASP 351 Cb 1.24 -0.21 -0.15 0.00 0.22 0.00 0.00 39.33 40.43 3khd h ASP 351 CO 0.60 1.67 -0.70 0.00 -1.72 0.00 0.00 179.24 179.10 3khd s VAL 353 N -3.45 1.33 -0.02 0.00 -7.23 -0.81 -1.49 120.40 108.73 3khd s VAL 353 Ca 0.09 -2.09 0.03 0.00 -1.81 0.00 0.00 61.98 58.19 3khd s VAL 353 Cb 0.04 -2.17 -0.00 0.00 0.56 0.00 0.00 36.38 34.81 3khd s VAL 353 CO -0.05 -0.49 -0.10 -0.32 -0.31 0.00 0.00 175.10 173.83 3khd s MET 354 N -3.76 0.92 -0.18 4.82 1.75 -1.04 -0.41 119.30 121.41 3khd s MET 354 Ca 0.24 -0.35 -0.06 0.00 -1.25 0.00 0.00 55.69 54.28 3khd s MET 354 Cb 0.03 -0.87 -0.03 0.00 2.84 0.00 0.00 34.83 36.79 3khd s MET 354 CO 0.07 0.17 0.02 -0.51 -0.65 0.00 0.00 175.02 174.12 3khd s LEU 355 N -0.03 3.53 0.00 4.11 1.43 -0.48 -4.50 118.68 122.75 3khd s LEU 355 Ca 0.00 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 3khd s LEU 355 Cb -0.06 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.27 3khd s LEU 355 CO 0.00 0.15 0.00 -1.20 0.23 0.00 0.00 176.35 175.53 3khd n SER 356 N 3.67 0.00 0.22 2.29 7.64 -1.26 -1.99 113.62 124.19 3khd n SER 356 Ca -0.17 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.82 3khd n SER 356 Cb 0.52 0.00 0.39 0.00 -1.01 0.00 0.00 64.21 64.11 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 1.08 0.23 0.00 -1.96 -2.72 103.07 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 0.50 0.83 0.00 0.00 0.00 176.54 177.87 3khd h GLU 358 N 0.00 1.21 0.01 4.80 3.07 -1.87 -2.23 114.58 119.58 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 0.84 -0.24 -0.06 0.00 -0.84 0.00 0.00 28.75 28.44 3khd h GLU 358 CO 0.02 0.87 -2.26 0.25 -1.40 0.00 0.00 179.01 176.49 3khd n THR 359 N -4.34 1.48 0.09 1.13 -2.24 -1.23 -3.74 114.28 105.43 3khd n THR 359 Ca 0.09 -0.77 -0.07 0.00 -2.27 0.00 0.00 64.05 61.03 3khd n THR 359 Cb 0.08 -0.88 -0.04 0.00 -2.10 0.00 0.00 70.33 67.39 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 0.70 -0.33 -0.84 6.98 0.00 -1.46 -3.35 119.26 120.96 3khd h ALA 360 Ca -0.50 -0.13 -0.38 0.00 0.00 0.00 0.00 54.91 53.90 3khd h ALA 360 Cb 2.11 0.13 -0.41 0.00 0.00 0.00 0.00 17.79 19.62 3khd h ALA 360 CO 0.02 -0.33 -1.05 0.41 0.00 0.00 0.00 179.25 178.29 3khd n GLY 361 N 0.78 2.93 3.62 0.00 0.00 -0.89 -2.08 105.19 109.56 3khd n GLY 361 Ca -0.06 -1.61 -0.24 0.00 0.00 0.00 0.00 46.02 44.11 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 -3.49 1.69 0.30 -0.02 0.00 -0.90 -4.93 107.32 99.97 3khd s GLY 362 Ca 0.33 -1.63 0.13 0.00 0.00 0.00 0.00 44.72 43.55 3khd s GLY 362 CO -0.02 -1.69 1.65 0.07 0.00 0.00 0.00 173.10 173.10 3khd h LYS 363 N 2.12 0.00 -2.72 2.90 2.10 -1.00 -3.38 116.57 116.59 3khd h LYS 363 Ca -0.44 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 57.60 3khd h LYS 363 Cb 1.24 0.00 -0.41 0.00 -0.90 0.00 0.00 32.23 32.16 3khd h LYS 363 CO 0.59 0.55 -0.72 1.19 -2.00 0.00 0.00 179.45 179.06 3khd n PHE 364 N -3.73 1.86 0.11 0.07 0.99 -1.25 -4.95 117.46 110.56 3khd n PHE 364 Ca -0.01 -3.96 -0.23 0.00 -0.00 0.00 0.00 57.45 53.25 3khd n PHE 364 Cb 0.59 -0.34 -0.15 0.00 -1.00 0.00 0.00 39.48 38.58 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 5.25 0.52 -0.27 -1.08 0.13 -1.75 -3.06 132.00 131.75 3khd h PRO 365 Ca 0.19 -0.82 -0.06 0.00 -0.87 0.00 0.00 66.00 64.44 3khd h PRO 365 Cb 0.80 0.29 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3khd h PRO 365 CO 0.61 1.38 -0.05 0.28 -0.23 0.00 0.00 178.00 179.99 3khd h VAL 366 N 0.09 1.28 0.00 1.56 2.07 -1.92 -2.92 116.25 116.40 3khd h VAL 366 Ca -0.21 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 3khd h VAL 366 Cb 1.98 1.42 -0.00 0.00 -1.52 0.00 0.00 31.29 33.17 3khd h VAL 366 CO 0.24 0.33 -0.04 -0.33 0.02 0.00 0.00 177.57 177.79 3khd h GLU 367 N 0.26 0.00 -0.06 1.57 3.07 -1.95 -2.03 114.58 115.45 3khd h GLU 367 Ca 0.07 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.87 3khd h GLU 367 Cb 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 3khd h GLU 367 CO 0.02 0.04 -0.18 0.00 -1.40 0.00 0.00 179.01 177.50 3khd h ALA 368 N 1.96 0.11 -0.51 3.43 0.00 -1.40 -2.24 119.26 120.60 3khd h ALA 368 Ca -0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 3khd h ALA 368 Cb 0.40 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3khd h ALA 368 CO 0.01 0.04 -0.10 -0.24 0.00 0.00 0.00 179.25 178.96 3khd h VAL 369 N -0.28 1.26 -0.99 0.00 3.04 -1.39 -1.88 116.25 116.02 3khd h VAL 369 Ca -0.00 -1.22 0.01 0.00 -1.01 0.00 0.00 66.70 64.48 3khd h VAL 369 Cb 0.79 0.97 -0.05 0.00 -2.01 0.00 0.00 31.29 30.99 3khd h VAL 369 CO 0.04 0.43 0.65 0.74 -1.01 0.00 0.00 177.57 178.42 3khd h THR 370 N 0.84 1.25 -0.17 3.17 2.02 -1.43 -1.77 112.91 116.82 3khd h THR 370 Ca 0.14 -0.46 -0.14 0.00 0.77 0.00 0.00 66.41 66.72 3khd h THR 370 Cb 0.63 -0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 3khd h THR 370 CO 0.04 0.24 -0.50 0.40 0.37 0.00 0.00 175.52 176.08 3khd h ILE 371 N 1.33 1.32 -0.22 3.11 2.04 -1.21 -2.65 117.51 121.24 3khd h ILE 371 Ca 0.36 -1.72 -0.01 0.00 1.00 0.00 0.00 64.86 64.49 3khd h ILE 371 Cb -0.15 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 3khd h ILE 371 CO -0.08 0.53 0.10 0.24 0.00 0.00 0.00 178.15 178.94 3khd h MET 372 N 0.37 0.32 -0.04 2.37 2.86 -0.87 -1.46 114.93 118.48 3khd h MET 372 Ca 0.02 -0.05 -0.09 0.00 -2.06 0.00 0.00 59.70 57.52 3khd h MET 372 Cb 1.00 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 3khd h MET 372 CO 0.09 0.34 -0.40 0.77 1.06 0.00 0.00 176.91 178.77 3khd h SER 373 N 0.22 0.08 -0.22 1.22 0.02 -1.37 -1.25 113.55 112.25 3khd h SER 373 Ca 0.07 -0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 3khd h SER 373 Cb 0.13 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 3khd h SER 373 CO -0.01 0.47 -0.10 0.11 -1.14 0.00 0.00 176.83 176.16 3khd h LYS 374 N 0.07 0.46 -0.33 3.45 1.57 -1.27 -1.77 116.57 118.75 3khd h LYS 374 Ca 0.01 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.55 3khd h LYS 374 Cb 0.73 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 3khd h LYS 374 CO 0.05 0.73 0.06 0.82 -0.57 0.00 0.00 179.45 180.54 3khd h ILE 375 N 0.17 1.23 -0.19 1.86 2.04 -1.10 -2.38 117.51 119.15 3khd h ILE 375 Ca 0.05 -0.81 0.03 0.00 1.00 0.00 0.00 64.86 65.13 3khd h ILE 375 Cb 0.59 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 3khd h ILE 375 CO 0.03 0.27 0.00 0.00 0.00 0.00 0.00 178.15 178.45 3khd h LEU 377 N 0.06 0.65 -0.02 0.00 3.38 -1.30 0.96 115.31 119.04 3khd h LEU 377 Ca 0.09 -0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.79 3khd h LEU 377 Cb 0.11 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 40.72 3khd h LEU 377 CO -0.15 0.47 -0.99 -0.08 0.09 0.00 0.00 178.44 177.78 3khd h GLU 378 N 0.77 0.71 -0.31 1.13 4.57 -0.87 -2.99 114.58 117.59 3khd h GLU 378 Ca 0.22 -0.74 -0.13 0.00 -1.18 0.00 0.00 59.36 57.54 3khd h GLU 378 Cb -0.04 0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3khd h GLU 378 CO -0.05 1.31 -0.34 0.00 -1.18 0.00 0.00 179.01 178.76 3khd h ALA 379 N 0.42 0.83 0.00 2.92 0.00 -0.39 -3.05 119.26 119.99 3khd h ALA 379 Ca -0.12 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 3khd h ALA 379 Cb 1.64 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 3khd h ALA 379 CO 0.20 0.64 -0.16 0.93 0.00 0.00 0.00 179.25 180.86 3khd h GLU 380 N 0.57 0.00 0.00 0.00 5.08 -0.83 -2.53 114.58 116.87 3khd h GLU 380 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3khd h GLU 380 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 3khd h GLU 380 CO 0.07 0.16 0.00 0.00 -1.00 0.00 0.00 179.01 178.24 3khd h ALA 381 N 1.84 1.00 0.00 3.43 0.00 -1.40 -3.01 119.26 121.12 3khd h ALA 381 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3khd h ALA 381 Cb 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3khd h ALA 381 CO 0.02 0.00 -1.33 0.00 0.00 0.00 0.00 179.25 177.94 3khd n ILE 383 N -2.80 0.09 -2.92 0.00 5.41 -1.14 -4.09 119.36 113.91 3khd n ILE 383 Ca -0.07 -0.02 -0.44 0.00 1.00 0.00 0.00 62.75 63.23 3khd n ILE 383 Cb 0.75 -1.71 -0.03 0.00 -0.71 0.00 0.00 39.64 37.94 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 1.42 6.55 0.38 4.38 -1.08 -1.09 -4.89 116.67 122.34 3khd s ASP 384 Ca 0.80 -1.88 0.09 0.00 -0.52 0.00 0.00 52.55 51.04 3khd s ASP 384 Cb -0.63 -2.40 0.75 0.00 -1.46 0.00 0.00 42.92 39.18 3khd s ASP 384 CO 0.38 -1.12 1.89 1.88 0.52 0.00 0.00 175.17 178.72 3khd h TYR 385 N 8.96 0.26 -0.43 -5.34 -1.99 -1.91 -1.31 116.97 115.20 3khd h TYR 385 Ca 0.09 -0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.76 3khd h TYR 385 Cb 1.03 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 39.67 3khd h TYR 385 CO 1.13 0.40 0.18 0.87 -0.00 0.00 0.00 178.16 180.74 3khd h LYS 386 N 0.24 0.64 -0.56 4.88 1.57 -1.95 -1.80 116.57 119.59 3khd h LYS 386 Ca 0.05 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.61 3khd h LYS 386 Cb 0.41 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 3khd h LYS 386 CO 0.02 0.58 -0.05 1.25 -0.57 0.00 0.00 179.45 180.69 3khd h LEU 387 N 0.56 1.00 -0.80 2.94 5.85 -1.89 -2.74 115.31 120.23 3khd h LEU 387 Ca 0.15 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.54 3khd h LEU 387 Cb 0.18 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 3khd h LEU 387 CO -0.01 1.09 0.52 0.25 -0.34 0.00 0.00 178.44 179.95 3khd h LEU 388 N 0.90 0.93 -0.05 2.25 5.85 -1.10 0.14 115.31 124.23 3khd h LEU 388 Ca 0.15 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3khd h LEU 388 Cb 0.60 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 3khd h LEU 388 CO 0.04 0.69 0.02 0.22 -0.34 0.00 0.00 178.44 179.06 3khd h TYR 389 N 1.09 0.08 -0.49 1.25 3.20 -1.31 -2.11 116.97 118.67 3khd h TYR 389 Ca 0.29 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.20 3khd h TYR 389 Cb -0.10 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.10 3khd h TYR 389 CO -0.01 0.21 0.24 1.96 -1.64 0.00 0.00 178.16 178.92 3khd h GLN 390 N -0.08 0.46 -0.93 1.82 1.08 -1.21 -0.11 115.11 116.13 3khd h GLN 390 Ca 0.02 -0.03 0.06 0.00 -1.45 0.00 0.00 58.65 57.25 3khd h GLN 390 Cb 0.17 -0.10 -0.06 0.00 -0.05 0.00 0.00 27.48 27.43 3khd h GLN 390 CO -0.00 0.31 0.59 0.77 -0.95 0.00 0.00 178.83 179.55 3khd h SER 391 N 0.48 0.95 0.20 1.46 0.02 -0.92 -1.15 113.55 114.58 3khd h SER 391 Ca 0.22 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 3khd h SER 391 Cb 0.13 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.49 3khd h SER 391 CO -0.16 0.61 -0.10 -0.07 -1.14 0.00 0.00 176.83 175.98 3khd h LEU 392 N 1.09 -0.23 -1.10 5.07 4.07 -0.82 -3.03 115.31 120.36 3khd h LEU 392 Ca 0.40 -0.20 0.04 0.00 0.08 0.00 0.00 57.88 58.20 3khd h LEU 392 Cb 0.15 0.06 -0.06 0.00 1.08 0.00 0.00 40.66 41.89 3khd h LEU 392 CO -0.17 0.09 0.61 0.58 -1.08 0.00 0.00 178.44 178.47 3khd h VAL 393 N -0.56 1.13 0.00 1.22 2.07 -0.80 -1.79 116.25 117.52 3khd h VAL 393 Ca -0.03 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 67.02 3khd h VAL 393 Cb 0.42 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 3khd h VAL 393 CO 0.05 0.21 -0.39 0.78 0.02 0.00 0.00 177.57 178.23 3khd h ASN 394 N 1.14 0.00 0.09 0.57 2.35 -1.26 -3.34 115.58 115.14 3khd h ASN 394 Ca 0.38 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.76 3khd h ASN 394 Cb 0.06 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.37 3khd h ASN 394 CO -0.12 0.39 -2.26 0.00 -1.65 0.00 0.00 177.43 173.79 3khd n ALA 395 N -2.41 1.39 -1.72 -0.83 0.00 -0.94 -4.97 120.51 111.02 3khd n ALA 395 Ca -0.01 -1.06 -0.41 0.00 0.00 0.00 0.00 53.44 51.96 3khd n ALA 395 Cb 0.45 -0.33 0.01 0.00 0.00 0.00 0.00 19.45 19.58 3khd n ALA 395 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3khd n ILE 396 N -3.08 2.67 -1.50 0.00 -0.00 -0.72 -4.91 119.36 111.82 3khd n ILE 396 Ca -0.35 -0.50 -0.42 0.00 -0.00 0.00 0.00 62.75 61.48 3khd n ILE 396 Cb 1.07 -1.65 0.01 0.00 -0.00 0.00 0.00 39.64 39.06 3khd n ILE 396 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 176.55 174.71 3khd n GLU 397 N -0.06 0.77 -0.11 0.38 0.00 -1.26 -4.91 120.64 115.44 3khd n GLU 397 Ca 0.06 0.28 -0.08 0.00 0.00 0.00 0.00 57.16 57.42 3khd n GLU 397 Cb 0.40 -1.63 -0.02 0.00 0.00 0.00 0.00 31.44 30.20 3khd n GLU 397 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 3khd h THR 398 N 1.05 0.24 -3.49 3.84 2.02 -1.97 -3.38 112.91 111.22 3khd h THR 398 Ca -0.41 0.00 -0.63 0.00 0.77 0.00 0.00 66.41 66.15 3khd h THR 398 Cb 1.38 0.24 -0.13 0.00 -1.74 0.00 0.00 68.15 67.90 3khd h THR 398 CO 0.54 0.00 0.40 -2.16 0.37 0.00 0.00 175.52 174.66 3khd s PRO 399 N -6.00 3.37 -0.06 6.66 0.04 -1.26 -5.03 135.00 132.72 3khd s PRO 399 Ca -0.15 -0.20 -0.03 0.00 0.04 0.00 0.00 61.00 60.66 3khd s PRO 399 Cb 0.13 -3.98 -0.04 0.00 0.04 0.00 0.00 34.50 30.65 3khd s PRO 399 CO 0.68 -1.23 0.09 0.42 0.04 0.00 0.00 177.00 177.00 3khd s ILE 400 N 3.44 4.98 0.83 0.56 1.01 -1.26 -5.11 121.20 125.64 3khd s ILE 400 Ca 0.29 -0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.70 3khd s ILE 400 Cb -0.13 -3.20 0.09 0.00 0.01 0.00 0.00 42.46 39.23 3khd s ILE 400 CO 0.21 0.50 1.09 -0.94 0.00 0.00 0.00 174.94 175.80 3khd s SER 401 N -1.32 4.05 0.20 3.58 1.04 -1.26 -4.83 113.70 115.16 3khd s SER 401 Ca 0.18 1.67 -0.11 0.00 0.48 0.00 0.00 55.95 58.17 3khd s SER 401 Cb -0.12 -2.36 0.17 0.00 0.10 0.00 0.00 66.02 63.81 3khd s SER 401 CO 0.08 -2.30 1.83 0.58 0.98 0.00 0.00 173.24 174.41 3khd h VAL 402 N -1.31 1.05 -0.82 5.02 2.07 -1.99 -1.44 116.25 118.83 3khd h VAL 402 Ca -0.46 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 66.81 3khd h VAL 402 Cb 1.25 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 3khd h VAL 402 CO 0.53 0.13 0.54 1.56 0.02 0.00 0.00 177.57 180.35 3khd h GLN 403 N 0.73 1.08 -0.04 1.57 7.50 -2.01 -2.46 115.11 121.49 3khd h GLN 403 Ca 0.26 -0.07 -0.10 0.00 0.50 0.00 0.00 58.65 59.25 3khd h GLN 403 Cb 0.06 -0.24 -0.01 0.00 0.05 0.00 0.00 27.48 27.33 3khd h GLN 403 CO -0.12 0.72 -0.42 1.49 -1.50 0.00 0.00 178.83 179.00 3khd h GLU 404 N 1.11 0.09 -0.61 1.46 4.81 -1.80 -2.50 114.58 117.14 3khd h GLU 404 Ca 0.30 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.39 3khd h GLU 404 Cb -0.12 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 3khd h GLU 404 CO -0.06 0.49 0.01 0.00 -0.73 0.00 0.00 179.01 178.72 3khd h ALA 405 N 1.50 0.86 -0.36 2.92 0.00 -0.82 -1.42 119.26 121.94 3khd h ALA 405 Ca 0.00 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 3khd h ALA 405 Cb 0.78 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3khd h ALA 405 CO 0.06 0.67 -0.25 0.28 0.00 0.00 0.00 179.25 180.01 3khd h VAL 406 N 0.97 1.27 -0.91 0.00 2.07 -1.30 -1.82 116.25 116.54 3khd h VAL 406 Ca 0.17 -1.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.32 3khd h VAL 406 Cb 0.55 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 3khd h VAL 406 CO 0.03 0.45 0.51 0.00 0.02 0.00 0.00 177.57 178.57 3khd h ALA 407 N 1.09 1.16 -0.23 1.67 0.00 -1.22 -1.22 119.26 120.51 3khd h ALA 407 Ca 0.08 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3khd h ALA 407 Cb 0.75 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3khd h ALA 407 CO 0.06 0.66 0.14 0.00 0.00 0.00 0.00 179.25 180.11 3khd h ARG 408 N 1.27 0.32 -0.75 0.00 3.08 -0.96 -2.74 114.38 114.59 3khd h ARG 408 Ca 0.32 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.41 3khd h ARG 408 Cb 0.01 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 29.94 3khd h ARG 408 CO -0.05 0.27 0.42 0.77 -1.07 0.00 0.00 179.97 180.31 3khd h SER 409 N 0.28 0.62 -0.53 7.04 0.02 -1.02 -0.51 113.55 119.45 3khd h SER 409 Ca 0.08 0.04 0.05 0.00 -0.84 0.00 0.00 61.79 61.12 3khd h SER 409 Cb 0.04 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.44 3khd h SER 409 CO -0.01 0.39 0.25 0.00 -1.14 0.00 0.00 176.83 176.31 3khd h ALA 410 N 1.40 0.68 -0.19 3.77 0.00 -1.02 0.34 119.26 124.23 3khd h ALA 410 Ca 0.34 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.24 3khd h ALA 410 Cb 0.25 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3khd h ALA 410 CO -0.21 -0.11 -0.07 0.28 0.00 0.00 0.00 179.25 179.15 3khd h VAL 411 N 0.48 1.30 -0.59 0.00 2.07 -1.17 -0.63 116.25 117.71 3khd h VAL 411 Ca 0.24 -1.08 0.03 0.00 0.82 0.00 0.00 66.70 66.70 3khd h VAL 411 Cb 0.18 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 3khd h VAL 411 CO -0.19 0.33 0.36 -0.33 0.02 0.00 0.00 177.57 177.76 3khd h GLU 412 N 0.07 0.70 -0.36 1.57 5.08 -0.72 -1.03 114.58 119.90 3khd h GLU 412 Ca 0.04 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 3khd h GLU 412 Cb 0.53 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3khd h GLU 412 CO 0.02 0.46 -0.34 1.15 -1.00 0.00 0.00 179.01 179.30 3khd h THR 413 N 0.72 1.28 -0.77 1.13 2.02 -0.33 -1.55 112.91 115.41 3khd h THR 413 Ca 0.24 -1.51 0.03 0.00 0.77 0.00 0.00 66.41 65.94 3khd h THR 413 Cb 0.02 1.37 -0.05 0.00 -1.74 0.00 0.00 68.15 67.75 3khd h THR 413 CO -0.10 0.50 0.49 0.00 0.37 0.00 0.00 175.52 176.78 3khd h ALA 414 N 0.93 1.00 -0.26 6.16 0.00 -0.65 -1.17 119.26 125.27 3khd h ALA 414 Ca 0.07 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3khd h ALA 414 Cb 0.90 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3khd h ALA 414 CO 0.08 0.30 -0.37 0.93 0.00 0.00 0.00 179.25 180.19 3khd h GLU 415 N 0.96 0.59 -0.12 0.00 4.39 -1.11 -0.69 114.58 118.60 3khd h GLU 415 Ca 0.30 -0.29 -0.17 0.00 0.34 0.00 0.00 59.36 59.55 3khd h GLU 415 Cb -0.00 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3khd h GLU 415 CO -0.11 0.87 -0.64 1.03 -1.16 0.00 0.00 179.01 179.01 3khd h SER 416 N 0.50 0.53 -0.38 1.42 0.87 -0.76 -3.15 113.55 112.57 3khd h SER 416 Ca 0.05 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 3khd h SER 416 Cb 0.86 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 3khd h SER 416 CO 0.07 1.03 0.00 2.30 -0.53 0.00 0.00 176.83 179.70 3khd n ILE 417 N -3.90 0.70 -3.88 2.23 -5.35 -0.49 -5.00 119.36 103.68 3khd n ILE 417 Ca -0.04 -0.85 -0.25 0.00 -0.27 0.00 0.00 62.75 61.34 3khd n ILE 417 Cb 0.65 0.76 -0.00 0.00 -1.74 0.00 0.00 39.64 39.31 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 1.04 -3.39 -2.02 6.28 1.13 -0.55 -4.88 117.38 115.00 3khd n GLN 418 Ca 0.16 0.45 -0.34 0.00 -1.94 0.00 0.00 57.00 55.33 3khd n GLN 418 Cb 0.50 -4.61 0.02 0.00 0.11 0.00 0.00 30.24 26.26 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 -3.86 2.59 -0.01 -1.58 0.00 -0.38 -4.83 121.76 113.71 3khd s ALA 419 Ca 0.05 0.69 0.11 0.00 0.00 0.00 0.00 51.96 52.81 3khd s ALA 419 Cb -0.02 -3.34 -0.18 0.00 0.00 0.00 0.00 23.12 19.59 3khd s ALA 419 CO 0.87 -1.00 1.01 0.77 0.00 0.00 0.00 175.76 177.40 3khd h SER 420 N 0.64 0.00 -4.96 0.00 0.02 -1.79 -3.43 113.55 104.04 3khd h SER 420 Ca -0.48 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.28 3khd h SER 420 Cb 1.25 0.00 -0.19 0.00 0.14 0.00 0.00 62.40 63.61 3khd h SER 420 CO 0.56 0.88 -0.70 -0.76 -1.14 0.00 0.00 176.83 175.67 3khd s LEU 421 N -6.32 2.34 -0.27 5.07 2.01 -1.26 -3.12 118.68 117.13 3khd s LEU 421 Ca -0.01 -0.70 0.03 0.00 0.01 0.00 0.00 54.13 53.45 3khd s LEU 421 Cb 0.09 0.05 0.07 0.00 0.01 0.00 0.00 46.19 46.41 3khd s LEU 421 CO 0.81 -0.38 -0.06 -0.63 1.01 0.00 0.00 176.35 177.10 3khd s ILE 422 N -2.35 2.01 -0.33 -0.59 1.01 -0.37 -2.02 121.20 118.54 3khd s ILE 422 Ca -0.05 -1.67 -0.24 0.00 0.00 0.00 0.00 60.65 58.69 3khd s ILE 422 Cb -0.03 -2.23 0.01 0.00 0.01 0.00 0.00 42.46 40.21 3khd s ILE 422 CO -0.04 -0.17 0.81 -0.63 0.00 0.00 0.00 174.94 174.92 3khd s ILE 423 N 1.15 4.74 -0.38 2.92 1.09 0.15 -0.43 121.20 130.44 3khd s ILE 423 Ca -0.04 1.09 -0.10 0.00 -1.10 0.00 0.00 60.65 60.51 3khd s ILE 423 Cb -0.19 -4.20 0.04 0.00 -1.06 0.00 0.00 42.46 37.05 3khd s ILE 423 CO -0.06 -0.36 0.20 0.00 -0.10 0.00 0.00 174.94 174.62 3khd s ALA 424 N 3.09 3.24 -0.40 9.38 0.00 0.44 -0.35 121.76 137.16 3khd s ALA 424 Ca 0.33 -1.85 -0.26 0.00 0.00 0.00 0.00 51.96 50.18 3khd s ALA 424 Cb -0.13 -2.55 0.02 0.00 0.00 0.00 0.00 23.12 20.45 3khd s ALA 424 CO 0.15 -1.46 0.95 -0.51 0.00 0.00 0.00 175.76 174.89 3khd s LEU 425 N 1.49 3.97 0.01 0.00 1.43 -0.30 -1.23 118.68 124.03 3khd s LEU 425 Ca 0.01 0.47 -0.10 0.00 -1.03 0.00 0.00 54.13 53.48 3khd s LEU 425 Cb -0.20 -3.27 0.01 0.00 0.03 0.00 0.00 46.19 42.75 3khd s LEU 425 CO 0.05 -0.93 0.21 0.28 0.23 0.00 0.00 176.35 176.18 3khd s THR 426 N 3.62 0.08 -0.26 5.49 -1.32 -0.90 -4.15 115.64 118.20 3khd s THR 426 Ca 0.39 -0.66 -0.13 0.00 -1.21 0.00 0.00 61.69 60.08 3khd s THR 426 Cb -0.11 -0.60 -0.11 0.00 -1.51 0.00 0.00 72.50 70.17 3khd s THR 426 CO 0.21 -0.36 -0.33 -1.84 -2.21 0.00 0.00 174.62 170.09 3khd n GLU 427 N 1.22 0.54 0.23 7.08 0.00 -1.26 -4.01 120.64 124.43 3khd n GLU 427 Ca -0.22 0.24 0.12 0.00 0.00 0.00 0.00 57.16 57.30 3khd n GLU 427 Cb 0.56 -1.40 0.32 0.00 0.00 0.00 0.00 31.44 30.92 3khd n GLU 427 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 3khd h THR 428 N -0.91 0.16 0.00 3.84 1.35 -1.98 -3.42 112.91 111.94 3khd h THR 428 Ca -0.65 -1.03 0.00 0.00 -0.55 0.00 0.00 66.41 64.18 3khd h THR 428 Cb 1.57 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 69.88 3khd h THR 428 CO -0.39 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 175.57 3khd n GLY 429 N 0.74 0.73 0.11 5.82 0.00 -1.26 -4.92 105.19 106.40 3khd n GLY 429 Ca 0.02 -0.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 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 0.38 -0.60 1.61 5.03 -1.95 -2.83 116.97 118.61 3khd h TYR 430 Ca 0.00 -0.20 -0.02 0.00 2.58 0.00 0.00 58.73 61.09 3khd h TYR 430 Cb 0.00 -0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.21 3khd h TYR 430 CO 0.00 0.99 0.28 1.15 -1.32 0.00 0.00 178.16 179.27 3khd h THR 431 N -0.35 1.21 -0.26 1.81 2.02 -1.94 -1.56 112.91 113.85 3khd h THR 431 Ca -0.04 -0.61 -0.06 0.00 0.77 0.00 0.00 66.41 66.47 3khd h THR 431 Cb 1.09 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 3khd h THR 431 CO 0.07 0.25 -0.10 0.00 0.37 0.00 0.00 175.52 176.11 3khd h ALA 432 N 1.12 1.36 0.00 6.16 0.00 -1.88 -2.33 119.26 123.69 3khd h ALA 432 Ca 0.21 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3khd h ALA 432 Cb 0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3khd h ALA 432 CO -0.03 0.44 -0.08 0.07 0.00 0.00 0.00 179.25 179.65 3khd h ARG 433 N 0.39 0.00 0.25 0.00 0.11 -1.10 -2.19 114.38 111.84 3khd h ARG 433 Ca 0.08 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.82 3khd h ARG 433 Cb 0.42 0.00 0.04 0.00 1.11 0.00 0.00 29.97 31.54 3khd h ARG 433 CO 0.02 0.08 -1.50 -0.07 0.10 0.00 0.00 179.97 178.60 3khd h LEU 434 N 0.00 0.81 -0.51 0.08 4.07 -0.78 -3.19 115.31 115.80 3khd h LEU 434 Ca -0.00 -0.90 -0.07 0.00 0.08 0.00 0.00 57.88 56.99 3khd h LEU 434 Cb 0.60 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 42.05 3khd h LEU 434 CO 0.01 1.71 0.03 0.40 -1.08 0.00 0.00 178.44 179.51 3khd h ILE 435 N 0.14 1.26 0.00 1.22 1.08 -1.38 -3.14 117.51 116.69 3khd h ILE 435 Ca -0.26 -1.03 -0.03 0.00 -0.39 0.00 0.00 64.86 63.14 3khd h ILE 435 Cb 2.16 0.92 -0.00 0.00 -3.07 0.00 0.00 36.82 36.83 3khd h ILE 435 CO 0.27 0.37 -0.16 0.00 -0.69 0.00 0.00 178.15 177.94 3khd h ALA 436 N 0.95 1.42 -0.45 1.87 0.00 -1.50 -2.83 119.26 118.72 3khd h ALA 436 Ca 0.15 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3khd h ALA 436 Cb 0.48 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3khd h ALA 436 CO 0.02 0.19 -0.08 -0.22 0.00 0.00 0.00 179.25 179.17 3khd h LYS 437 N 0.00 0.78 -0.11 0.00 3.64 -1.52 -2.84 116.57 116.52 3khd h LYS 437 Ca -0.00 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 3khd h LYS 437 Cb 0.35 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3khd h LYS 437 CO 0.02 0.84 0.00 0.66 -2.27 0.00 0.00 179.45 178.70 3khd n TYR 438 N -4.18 0.12 -3.55 1.91 4.02 -1.08 -4.95 117.16 109.46 3khd n TYR 438 Ca 0.02 -0.06 -0.25 0.00 -0.01 0.00 0.00 57.90 57.59 3khd n TYR 438 Cb 0.35 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.68 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 0.52 -1.70 -1.48 -0.72 5.02 -1.07 -4.64 118.16 114.09 3khd n LYS 439 Ca 0.17 1.15 -0.32 0.00 -2.02 0.00 0.00 58.31 57.30 3khd n LYS 439 Cb 0.41 -2.85 0.07 0.00 -0.02 0.00 0.00 35.03 32.64 3khd n LYS 439 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3khd s PRO 440 N -3.78 2.52 0.20 1.97 0.04 -1.26 -4.81 135.00 129.88 3khd s PRO 440 Ca 0.14 1.24 -0.01 0.00 0.04 0.00 0.00 61.00 62.40 3khd s PRO 440 Cb -0.02 -1.92 0.16 0.00 0.04 0.00 0.00 34.50 32.75 3khd s PRO 440 CO 0.87 -1.45 1.53 0.66 0.04 0.00 0.00 177.00 178.64 3khd h SER 441 N -0.65 0.54 -4.38 6.66 4.64 -1.93 -3.45 113.55 114.97 3khd h SER 441 Ca -0.45 -0.29 -0.46 0.00 -0.47 0.00 0.00 61.79 60.12 3khd h SER 441 Cb 1.23 -0.15 0.12 0.00 -0.31 0.00 0.00 62.40 63.29 3khd h SER 441 CO 0.53 0.98 0.34 0.00 -0.87 0.00 0.00 176.83 177.81 3khd s THR 443 N -3.38 3.50 -0.25 0.00 2.01 -1.18 -4.88 115.64 111.45 3khd s THR 443 Ca 0.63 1.18 -0.08 0.00 0.31 0.00 0.00 61.69 63.73 3khd s THR 443 Cb -0.13 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 3khd s THR 443 CO 0.52 0.04 0.09 -0.63 -0.69 0.00 0.00 174.62 173.95 3khd s ILE 444 N -1.56 4.55 -0.44 1.82 1.01 -0.84 -1.24 121.20 124.50 3khd s ILE 444 Ca 0.58 -0.09 -0.11 0.00 0.00 0.00 0.00 60.65 61.03 3khd s ILE 444 Cb -0.25 -3.13 0.08 0.00 0.01 0.00 0.00 42.46 39.17 3khd s ILE 444 CO 0.32 0.34 0.31 -0.76 0.00 0.00 0.00 174.94 175.14 3khd s LEU 445 N 1.50 5.33 -0.08 2.97 1.43 0.43 -1.66 118.68 128.61 3khd s LEU 445 Ca 0.06 -1.47 -0.23 0.00 -1.03 0.00 0.00 54.13 51.45 3khd s LEU 445 Cb -0.15 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 3khd s LEU 445 CO 0.05 -0.58 0.71 0.00 0.23 0.00 0.00 176.35 176.76 3khd s ALA 446 N 1.49 3.36 -0.18 4.21 0.00 -0.90 -0.42 121.76 129.32 3khd s ALA 446 Ca 0.03 0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.11 3khd s ALA 446 Cb -0.24 -2.98 0.02 0.00 0.00 0.00 0.00 23.12 19.92 3khd s ALA 446 CO 0.03 -0.17 -0.19 -0.51 0.00 0.00 0.00 175.76 174.93 3khd s LEU 447 N 0.95 2.21 -0.01 0.00 1.43 -0.37 -0.90 118.68 122.00 3khd s LEU 447 Ca 0.37 -0.61 -0.04 0.00 -1.03 0.00 0.00 54.13 52.82 3khd s LEU 447 Cb -0.18 -1.50 -0.00 0.00 0.03 0.00 0.00 46.19 44.54 3khd s LEU 447 CO 0.17 0.01 0.08 -0.55 0.23 0.00 0.00 176.35 176.30 3khd s SER 448 N 1.23 0.04 0.14 2.29 0.15 -1.11 -2.11 113.70 114.33 3khd s SER 448 Ca 0.03 -0.14 0.03 0.00 0.70 0.00 0.00 55.95 56.57 3khd s SER 448 Cb -0.13 0.18 -0.10 0.00 -1.71 0.00 0.00 66.02 64.25 3khd s SER 448 CO -0.10 -0.24 1.32 0.00 1.20 0.00 0.00 173.24 175.42 3khd h ALA 449 N 4.95 0.42 -2.15 5.45 0.00 -1.77 0.13 119.26 126.29 3khd h ALA 449 Ca -0.29 -0.81 -0.57 0.00 0.00 0.00 0.00 54.91 53.25 3khd h ALA 449 Cb 1.20 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 3khd h ALA 449 CO 0.42 1.03 0.87 0.45 0.00 0.00 0.00 179.25 182.02 3khd s SER 450 N -6.89 6.97 0.50 0.00 0.15 -1.26 -4.68 113.70 108.50 3khd s SER 450 Ca -0.02 1.66 0.31 0.00 0.70 0.00 0.00 55.95 58.61 3khd s SER 450 Cb 0.10 -2.54 1.19 0.00 -1.71 0.00 0.00 66.02 63.05 3khd s SER 450 CO 0.83 -0.73 1.91 0.44 1.20 0.00 0.00 173.24 176.88 3khd h ASP 451 N 8.05 0.00 0.75 5.45 5.19 -1.96 -2.53 116.42 131.38 3khd h ASP 451 Ca -0.26 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 55.99 3khd h ASP 451 Cb 1.10 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.59 3khd h ASP 451 CO 0.96 0.00 -0.76 -1.28 -3.12 0.00 0.00 179.24 175.05 3khd h SER 452 N 0.00 0.00 -0.04 6.45 0.87 -1.97 -3.18 113.55 115.68 3khd h SER 452 Ca 0.00 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 3khd h SER 452 Cb 0.56 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 3khd h SER 452 CO 0.00 0.76 -0.07 0.74 -0.53 0.00 0.00 176.83 177.73 3khd h THR 453 N 0.00 1.43 0.00 2.23 2.02 -1.76 -2.76 112.91 114.08 3khd h THR 453 Ca -0.01 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 65.79 3khd h THR 453 Cb 1.34 2.27 0.00 0.00 -1.74 0.00 0.00 68.15 70.02 3khd h THR 453 CO 0.10 0.37 0.00 1.33 0.37 0.00 0.00 175.52 177.69 3khd n VAL 454 N -4.71 1.03 -0.07 3.16 0.24 -1.08 -2.21 118.33 114.69 3khd n VAL 454 Ca -0.08 0.28 -0.04 0.00 -2.04 0.00 0.00 64.34 62.46 3khd n VAL 454 Cb 0.33 -1.10 -0.15 0.00 -1.47 0.00 0.00 33.84 31.44 3khd n VAL 454 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3khd n LYS 455 N -1.72 0.85 0.13 7.34 5.02 -1.20 -4.49 118.16 124.09 3khd n LYS 455 Ca 0.03 -0.06 0.01 0.00 -2.02 0.00 0.00 58.31 56.27 3khd n LYS 455 Cb 0.17 -1.48 0.07 0.00 -0.02 0.00 0.00 35.03 33.77 3khd n LYS 455 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3khd n LEU 457 N -3.35 0.00 0.28 0.00 4.77 -1.01 -3.18 117.00 114.52 3khd n LEU 457 Ca 0.01 0.11 0.16 0.00 -0.03 0.00 0.00 56.01 56.26 3khd n LEU 457 Cb 0.73 -0.11 0.80 0.00 -2.33 0.00 0.00 43.42 42.51 3khd n LEU 457 CO 0.41 -0.02 1.01 0.78 -1.33 0.00 0.00 177.39 178.25 3khd h ASN 458 N 0.00 0.00 0.39 -1.43 2.35 -1.83 -2.61 115.58 112.45 3khd h ASN 458 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 3khd h ASN 458 Cb 0.09 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 3khd h ASN 458 CO 0.00 0.07 -0.22 -0.37 -1.65 0.00 0.00 177.43 175.26 3khd h VAL 459 N 0.00 0.87 -3.31 2.81 -1.51 -1.83 -3.43 116.25 109.85 3khd h VAL 459 Ca -0.00 -0.83 -0.57 0.00 -1.23 0.00 0.00 66.70 64.07 3khd h VAL 459 Cb 0.35 1.49 -0.05 0.00 -2.13 0.00 0.00 31.29 30.95 3khd h VAL 459 CO 0.01 0.21 0.00 -1.00 -1.23 0.00 0.00 177.57 175.56 3khd s HIS 460 N -4.22 3.71 0.59 5.19 3.76 -0.98 -4.53 115.29 118.81 3khd s HIS 460 Ca -0.03 1.24 -0.16 0.00 -0.15 0.00 0.00 55.06 55.96 3khd s HIS 460 Cb 0.14 -2.62 -0.04 0.00 1.11 0.00 0.00 32.58 31.17 3khd s HIS 460 CO 0.65 0.38 1.06 -0.98 -0.85 0.00 0.00 174.74 175.00 3khd s ARG 461 N -0.31 3.33 -0.92 1.40 1.70 -1.26 -3.78 118.95 119.12 3khd s ARG 461 Ca 0.31 1.23 0.00 0.00 -0.47 0.00 0.00 55.73 56.80 3khd s ARG 461 Cb -0.19 -2.03 0.00 0.00 -0.57 0.00 0.00 34.95 32.16 3khd s ARG 461 CO 0.18 -0.80 0.00 0.41 -1.08 0.00 0.00 175.30 174.01 3khd n GLY 462 N -0.90 0.99 3.12 3.88 0.00 0.55 -4.95 105.19 107.87 3khd n GLY 462 Ca 0.09 -0.30 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.13 2.31 -0.16 1.61 1.01 -1.25 -1.99 120.40 119.80 3khd s VAL 463 Ca 0.00 -1.20 0.01 0.00 0.00 0.00 0.00 61.98 60.79 3khd s VAL 463 Cb 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.23 3khd s VAL 463 CO 0.00 0.26 -0.17 0.42 0.00 0.00 0.00 175.10 175.60 3khd s THR 464 N 1.23 2.44 0.06 3.92 -4.23 -0.66 -4.78 115.64 113.62 3khd s THR 464 Ca -0.01 -0.84 0.07 0.00 -1.18 0.00 0.00 61.69 59.73 3khd s THR 464 Cb -0.16 -2.02 -0.03 0.00 1.34 0.00 0.00 72.50 71.62 3khd s THR 464 CO -0.08 0.52 -0.15 0.00 -0.54 0.00 0.00 174.62 174.38 3khd s ILE 466 N -1.02 1.70 0.22 0.00 1.01 -0.08 -4.83 121.20 118.20 3khd s ILE 466 Ca 0.17 -0.83 -0.30 0.00 0.00 0.00 0.00 60.65 59.69 3khd s ILE 466 Cb -0.11 -1.47 -0.09 0.00 0.01 0.00 0.00 42.46 40.80 3khd s ILE 466 CO 0.08 0.48 1.18 -1.59 0.00 0.00 0.00 174.94 175.09 3khd s LYS 467 N 0.26 4.52 0.30 2.79 0.00 -1.26 -2.75 119.74 123.60 3khd s LYS 467 Ca -0.12 1.89 0.06 0.00 0.00 0.00 0.00 55.97 57.80 3khd s LYS 467 Cb -0.15 -3.21 -0.06 0.00 0.00 0.00 0.00 37.83 34.41 3khd s LYS 467 CO 0.05 -0.01 -0.03 0.14 0.00 0.00 0.00 175.35 175.50 3khd s VAL 468 N -0.46 1.59 0.00 1.79 -7.23 0.46 -4.90 120.40 111.65 3khd s VAL 468 Ca 0.50 -2.09 0.00 0.00 -1.81 0.00 0.00 61.98 58.58 3khd s VAL 468 Cb -0.33 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.05 3khd s VAL 468 CO 0.39 -0.22 0.00 0.61 -0.31 0.00 0.00 175.10 175.58 3khd n GLY 469 N -0.64 0.75 3.05 2.32 0.00 -1.26 -4.17 105.19 105.24 3khd n GLY 469 Ca -0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 3khd n GLY 469 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3khd s SER 470 N -1.00 -0.36 0.00 1.61 0.01 -1.26 -4.57 113.70 108.13 3khd s SER 470 Ca 0.00 0.55 0.00 0.00 1.31 0.00 0.00 55.95 57.81 3khd s SER 470 Cb 0.00 1.51 0.00 0.00 0.21 0.00 0.00 66.02 67.74 3khd s SER 470 CO 0.00 -0.28 0.00 1.07 0.41 0.00 0.00 173.24 174.44 3khd n THR 474 N 5.39 0.00 0.57 1.44 5.66 -1.26 -5.13 114.28 120.95 3khd n THR 474 Ca -0.04 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.09 3khd n THR 474 Cb 0.50 0.00 0.45 0.00 -1.55 0.00 0.00 70.33 69.73 3khd n THR 474 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 3khd n ASP 475 N -0.00 0.64 -0.16 1.09 2.03 -1.26 -3.62 116.55 115.27 3khd n ASP 475 Ca 0.00 0.60 -0.03 0.00 0.52 0.00 0.00 54.79 55.88 3khd n ASP 475 Cb 0.00 -0.75 0.04 0.00 -0.72 0.00 0.00 41.12 39.68 3khd n ASP 475 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 3khd h ILE 476 N 0.00 0.50 0.00 5.18 2.10 -2.01 -2.99 117.51 120.29 3khd h ILE 476 Ca 0.00 -0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.92 3khd h ILE 476 Cb 0.55 0.49 -0.00 0.00 -1.09 0.00 0.00 36.82 36.77 3khd h ILE 476 CO 0.00 0.00 -1.43 1.33 -1.08 0.00 0.00 178.15 176.97 3khd n VAL 477 N -5.35 0.07 -0.10 2.19 0.24 -1.26 -4.52 118.33 109.60 3khd n VAL 477 Ca 0.05 -0.22 -0.13 0.00 -2.04 0.00 0.00 64.34 62.00 3khd n VAL 477 Cb 0.27 0.16 -0.04 0.00 -1.47 0.00 0.00 33.84 32.76 3khd n VAL 477 CO 0.00 0.00 0.00 0.16 -2.14 0.00 0.00 176.83 174.85 3khd h ILE 478 N 0.00 1.30 -0.59 1.34 3.07 -1.62 -1.36 117.51 119.65 3khd h ILE 478 Ca -0.03 -1.43 -0.06 0.00 1.55 0.00 0.00 64.86 64.89 3khd h ILE 478 Cb 0.55 1.52 -0.03 0.00 -0.27 0.00 0.00 36.82 38.59 3khd h ILE 478 CO 0.00 0.46 0.12 0.08 -1.05 0.00 0.00 178.15 177.77 3khd h ARG 479 N 0.50 0.92 -0.02 0.16 0.11 -1.79 -2.27 114.38 111.99 3khd h ARG 479 Ca 0.05 -0.21 -0.14 0.00 0.10 0.00 0.00 59.98 59.79 3khd h ARG 479 Cb 0.84 -0.13 -0.02 0.00 1.11 0.00 0.00 29.97 31.78 3khd h ARG 479 CO 0.07 0.84 -0.62 -2.95 0.10 0.00 0.00 179.97 177.41 3khd h ASN 480 N 0.88 0.09 -0.45 0.08 7.08 -1.78 -3.13 115.58 118.36 3khd h ASN 480 Ca 0.19 -0.05 -0.14 0.00 -3.08 0.00 0.00 56.30 53.21 3khd h ASN 480 Cb 0.35 -0.03 -0.01 0.00 -2.08 0.00 0.00 38.32 36.55 3khd h ASN 480 CO 0.00 0.68 -0.25 0.00 -2.08 0.00 0.00 177.43 175.78 3khd h ALA 481 N 1.32 0.68 -0.37 4.14 0.00 -0.88 -2.14 119.26 122.00 3khd h ALA 481 Ca -0.01 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 3khd h ALA 481 Cb 1.10 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3khd h ALA 481 CO 0.09 0.68 -0.14 -0.84 0.00 0.00 0.00 179.25 179.03 3khd h ILE 482 N 0.83 1.25 -0.03 0.00 -2.65 -1.43 -0.31 117.51 115.18 3khd h ILE 482 Ca 0.10 -1.15 -0.16 0.00 1.03 0.00 0.00 64.86 64.68 3khd h ILE 482 Cb 0.83 1.12 -0.01 0.00 -2.05 0.00 0.00 36.82 36.71 3khd h ILE 482 CO 0.07 0.39 -0.69 1.05 0.03 0.00 0.00 178.15 179.00 3khd h GLU 483 N 0.61 0.14 0.01 0.16 -0.00 -1.50 -2.15 114.58 111.85 3khd h GLU 483 Ca 0.10 -0.11 -0.22 0.00 -0.00 0.00 0.00 59.36 59.13 3khd h GLU 483 Cb 0.58 0.02 -0.00 0.00 -0.00 0.00 0.00 28.75 29.35 3khd h GLU 483 CO 0.04 0.77 -0.95 0.82 -0.00 0.00 0.00 179.01 179.69 3khd h ILE 484 N 0.09 1.45 0.00 -1.06 2.04 -1.11 -2.71 117.51 116.21 3khd h ILE 484 Ca -0.01 -2.58 -0.19 0.00 1.00 0.00 0.00 64.86 63.08 3khd h ILE 484 Cb 1.23 2.49 -0.01 0.00 -0.74 0.00 0.00 36.82 39.79 3khd h ILE 484 CO 0.10 0.76 -0.86 0.00 0.00 0.00 0.00 178.15 178.15 3khd h ALA 485 N 0.81 0.54 -0.27 1.87 0.00 -1.07 -2.08 119.26 119.06 3khd h ALA 485 Ca -0.07 -0.72 -0.11 0.00 0.00 0.00 0.00 54.91 54.00 3khd h ALA 485 Cb 1.59 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 3khd h ALA 485 CO 0.16 0.93 -0.30 1.57 0.00 0.00 0.00 179.25 181.61 3khd h LYS 486 N 0.09 0.56 -0.01 0.00 -0.00 -1.44 -2.02 116.57 113.75 3khd h LYS 486 Ca -0.04 -0.24 -0.12 0.00 -0.00 0.00 0.00 60.65 60.26 3khd h LYS 486 Cb 1.49 -0.02 -0.02 0.00 -0.00 0.00 0.00 32.23 33.68 3khd h LYS 486 CO 0.13 0.79 -0.55 -0.56 -0.00 0.00 0.00 179.45 179.27 3khd h GLN 487 N 0.48 0.04 -0.82 0.07 -0.00 -1.41 -3.02 115.11 110.45 3khd h GLN 487 Ca 0.06 -0.02 -0.31 0.00 -0.00 0.00 0.00 58.65 58.38 3khd h GLN 487 Cb 0.76 0.00 -0.19 0.00 -0.00 0.00 0.00 27.48 28.06 3khd h GLN 487 CO 0.06 0.58 0.39 2.89 -0.00 0.00 0.00 178.83 182.74 3khd n ARG 488 N -3.89 3.24 -1.52 0.06 1.85 -0.79 -5.10 116.66 110.52 3khd n ARG 488 Ca -0.01 -3.07 -0.50 0.00 -1.00 0.00 0.00 57.85 53.26 3khd n ARG 488 Cb 0.56 -2.20 -0.04 0.00 -1.05 0.00 0.00 32.46 29.72 3khd n ARG 488 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3khd n ASN 489 N -0.48 0.37 -1.39 2.89 3.02 -0.78 -4.98 115.26 113.90 3khd n ASN 489 Ca 0.47 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 56.17 3khd n ASN 489 Cb 1.48 -1.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.55 3khd n ASN 489 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3khd n ALA 491 N 0.96 -1.38 -3.14 5.41 0.00 -1.26 -5.00 120.51 116.09 3khd n ALA 491 Ca 0.16 0.19 -0.09 0.00 0.00 0.00 0.00 53.44 53.70 3khd n ALA 491 Cb 0.22 -0.88 -0.05 0.00 0.00 0.00 0.00 19.45 18.74 3khd n ALA 491 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3khd s LYS 492 N -2.71 1.38 0.18 0.00 -2.85 -1.26 -4.62 119.74 109.86 3khd s LYS 492 Ca 0.00 -1.05 -0.30 0.00 -1.00 0.00 0.00 55.97 53.62 3khd s LYS 492 Cb 0.00 0.47 -0.08 0.00 -2.06 0.00 0.00 37.83 36.16 3khd s LYS 492 CO 0.00 -0.57 1.31 0.08 0.10 0.00 0.00 175.35 176.27 3khd s VAL 493 N -3.94 3.28 0.00 1.79 1.01 -1.26 -3.15 120.40 118.13 3khd s VAL 493 Ca 0.15 1.02 0.00 0.00 0.00 0.00 0.00 61.98 63.15 3khd s VAL 493 Cb -0.00 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.73 3khd s VAL 493 CO 0.01 0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.86 3khd n GLY 494 N 2.59 0.94 3.92 4.51 0.00 -1.26 -5.03 105.19 110.87 3khd n GLY 494 Ca 0.07 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 6.41 0.16 1.61 1.01 -1.19 -4.83 116.67 117.83 3khd s ASP 495 Ca 0.00 0.40 -0.11 0.00 0.71 0.00 0.00 52.55 53.55 3khd s ASP 495 Cb 0.00 -2.01 -0.07 0.00 1.01 0.00 0.00 42.92 41.85 3khd s ASP 495 CO 0.00 0.06 0.51 -0.44 0.21 0.00 0.00 175.17 175.51 3khd s SER 496 N -2.73 6.70 0.00 0.27 0.01 -1.26 0.32 113.70 117.01 3khd s SER 496 Ca 0.38 0.94 0.02 0.00 1.31 0.00 0.00 55.95 58.60 3khd s SER 496 Cb -0.12 -2.23 -0.01 0.00 0.21 0.00 0.00 66.02 63.87 3khd s SER 496 CO 0.27 0.06 -0.08 -0.69 0.41 0.00 0.00 173.24 173.21 3khd s VAL 497 N -1.57 0.62 -0.20 3.43 1.01 -0.27 -2.21 120.40 121.19 3khd s VAL 497 Ca 0.40 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 3khd s VAL 497 Cb -0.13 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.68 3khd s VAL 497 CO 0.20 0.07 -0.01 -0.63 0.00 0.00 0.00 175.10 174.73 3khd s ILE 498 N -0.39 3.82 -0.10 2.22 1.01 -0.86 -1.83 121.20 125.07 3khd s ILE 498 Ca 0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 3khd s ILE 498 Cb -0.04 -2.73 -0.03 0.00 0.01 0.00 0.00 42.46 39.67 3khd s ILE 498 CO -0.00 0.43 -0.04 0.00 0.00 0.00 0.00 174.94 175.33 3khd s ALA 499 N 1.05 3.07 -0.04 9.38 0.00 0.12 0.34 121.76 135.68 3khd s ALA 499 Ca 0.02 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.15 3khd s ALA 499 Cb -0.14 -1.40 0.02 0.00 0.00 0.00 0.00 23.12 21.59 3khd s ALA 499 CO 0.01 0.46 -0.06 -1.50 0.00 0.00 0.00 175.76 174.67 3khd s ILE 500 N -0.46 0.67 -0.03 0.00 2.07 0.53 -0.19 121.20 123.79 3khd s ILE 500 Ca 0.07 -0.22 0.00 0.00 -1.41 0.00 0.00 60.65 59.10 3khd s ILE 500 Cb -0.12 -0.65 0.03 0.00 0.13 0.00 0.00 42.46 41.84 3khd s ILE 500 CO 0.02 0.25 -0.00 -2.28 -1.91 0.00 0.00 174.94 171.02 3khd s HIS 501 N 0.73 0.34 -0.17 3.50 5.65 -0.84 -1.15 115.29 123.34 3khd s HIS 501 Ca -0.11 -0.01 -0.01 0.00 0.25 0.00 0.00 55.06 55.18 3khd s HIS 501 Cb -0.14 -0.43 -0.00 0.00 -1.18 0.00 0.00 32.58 30.83 3khd s HIS 501 CO 0.01 -0.14 -0.13 0.20 -0.65 0.00 0.00 174.74 174.03 3khd s GLY 502 N 1.05 1.50 0.37 1.59 0.00 -1.26 -0.38 107.32 110.20 3khd s GLY 502 Ca -0.09 -1.09 0.30 0.00 0.00 0.00 0.00 44.72 43.83 3khd s GLY 502 CO -0.02 0.15 0.98 -1.30 0.00 0.00 0.00 173.10 172.92 3khd n THR 511 N 4.29 0.00 -4.97 0.90 -2.24 -1.26 -4.99 114.28 106.02 3khd n THR 511 Ca -0.19 0.94 -0.32 0.00 -2.27 0.00 0.00 64.05 62.21 3khd n THR 511 Cb 0.51 -1.60 -0.15 0.00 -2.10 0.00 0.00 70.33 66.99 3khd n THR 511 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3khd s ASN 512 N -3.77 3.64 0.04 3.42 0.01 -1.26 -5.12 114.94 111.89 3khd s ASN 512 Ca -0.03 -0.41 0.04 0.00 -0.71 0.00 0.00 52.86 51.74 3khd s ASN 512 Cb 0.16 -1.47 -0.02 0.00 0.41 0.00 0.00 41.25 40.32 3khd s ASN 512 CO 0.52 0.17 -0.11 -0.22 -1.51 0.00 0.00 177.10 175.96 3khd s LEU 513 N 0.28 2.20 -0.17 0.60 2.96 0.49 -5.02 118.68 120.01 3khd s LEU 513 Ca -0.13 -0.47 -0.04 0.00 -0.22 0.00 0.00 54.13 53.27 3khd s LEU 513 Cb -0.16 -0.41 0.08 0.00 0.50 0.00 0.00 46.19 46.19 3khd s LEU 513 CO 0.07 -0.06 0.22 -0.32 -1.32 0.00 0.00 176.35 174.94 3khd s MET 514 N -1.26 0.16 -0.03 1.98 -2.45 -1.26 -1.99 119.30 114.45 3khd s MET 514 Ca -0.03 0.35 0.02 0.00 -1.25 0.00 0.00 55.69 54.79 3khd s MET 514 Cb -0.08 -0.87 -0.03 0.00 1.25 0.00 0.00 34.83 35.10 3khd s MET 514 CO 0.01 -0.54 -0.06 -1.59 1.05 0.00 0.00 175.02 173.89 3khd s LYS 515 N 2.34 2.66 -0.25 4.11 0.00 0.73 -4.95 119.74 124.38 3khd s LYS 515 Ca 0.05 -0.64 0.02 0.00 0.00 0.00 0.00 55.97 55.41 3khd s LYS 515 Cb -0.15 -2.56 0.06 0.00 0.00 0.00 0.00 37.83 35.18 3khd s LYS 515 CO -0.10 0.63 -0.08 0.08 0.00 0.00 0.00 175.35 175.87 3khd s VAL 516 N -0.94 1.88 0.06 1.79 1.01 -1.26 0.16 120.40 123.11 3khd s VAL 516 Ca 0.16 -1.45 0.09 0.00 0.00 0.00 0.00 61.98 60.77 3khd s VAL 516 Cb -0.11 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 3khd s VAL 516 CO 0.05 -0.06 -0.24 0.68 0.00 0.00 0.00 175.10 175.54 3khd s VAL 517 N 1.23 1.91 0.42 2.92 -7.23 -0.76 -4.96 120.40 113.93 3khd s VAL 517 Ca -0.08 -1.36 -0.22 0.00 -1.81 0.00 0.00 61.98 58.51 3khd s VAL 517 Cb -0.19 -1.66 -0.10 0.00 0.56 0.00 0.00 36.38 34.98 3khd s VAL 517 CO -0.06 0.23 0.97 -1.58 -0.31 0.00 0.00 175.10 174.35 3khd s GLN 518 N -1.37 4.23 0.00 4.82 2.00 -1.26 -1.12 119.66 126.96 3khd s GLN 518 Ca 0.10 1.23 0.26 0.00 -2.00 0.00 0.00 55.36 54.95 3khd s GLN 518 Cb -0.09 -2.32 1.57 0.00 0.80 0.00 0.00 33.01 32.97 3khd s GLN 518 CO 0.03 -0.04 1.92 0.44 -0.50 0.00 0.00 175.29 177.14