#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3khd h MET 24 N 0.00 0.31 -0.06 4.33 2.07 -1.99 -1.49 114.93 118.09 3khd h MET 24 Ca 0.00 -0.02 -0.07 0.00 -2.07 0.00 0.00 59.70 57.54 3khd h MET 24 Cb 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 31.60 29.66 3khd h MET 24 CO 0.00 0.21 -0.25 0.37 1.07 0.00 0.00 176.91 178.31 3khd h GLN 25 N 0.32 0.28 -0.48 1.72 5.75 -2.01 -2.52 115.11 118.19 3khd h GLN 25 Ca 0.47 -0.22 0.05 0.00 -0.15 0.00 0.00 58.65 58.80 3khd h GLN 25 Cb 0.84 0.04 -0.05 0.00 1.07 0.00 0.00 27.48 29.38 3khd h GLN 25 CO -0.52 0.85 0.21 0.77 -2.65 0.00 0.00 178.83 177.49 3khd h SER 26 N -0.23 0.26 0.65 -0.69 0.02 -1.81 -1.59 113.55 110.16 3khd h SER 26 Ca -0.01 0.04 -0.18 0.00 -0.84 0.00 0.00 61.79 60.80 3khd h SER 26 Cb 0.89 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.42 3khd h SER 26 CO 0.05 0.19 -0.83 0.00 -1.14 0.00 0.00 176.83 175.10 3khd h ALA 27 N 1.29 0.60 0.00 3.77 0.00 -1.37 -2.80 119.26 120.75 3khd h ALA 27 Ca 0.22 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3khd h ALA 27 Cb 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3khd h ALA 27 CO -0.19 0.93 0.00 0.00 0.00 0.00 0.00 179.25 179.99 3khd n ALA 28 N -2.43 2.09 1.01 0.00 0.00 -0.95 -2.64 120.51 117.59 3khd n ALA 28 Ca -0.02 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.48 3khd n ALA 28 Cb 0.78 -1.40 0.25 0.00 0.00 0.00 0.00 19.45 19.08 3khd n ALA 28 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3khd n ASN 29 N -1.65 2.59 -4.68 0.00 3.02 -0.62 -4.95 115.26 108.97 3khd n ASN 29 Ca 0.06 -1.85 -0.47 0.00 -0.03 0.00 0.00 54.58 52.28 3khd n ASN 29 Cb 0.30 -0.06 -0.04 0.00 -0.61 0.00 0.00 39.78 39.36 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 0.99 0.50 -2.71 2.41 5.41 -1.08 -4.94 119.36 119.94 3khd n ILE 30 Ca 0.16 -0.09 -0.28 0.00 1.00 0.00 0.00 62.75 63.55 3khd n ILE 30 Cb 0.51 -1.86 -0.01 0.00 -0.71 0.00 0.00 39.64 37.58 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 3.58 4.91 0.39 1.39 -4.23 -1.26 -4.98 115.64 115.43 3khd s THR 31 Ca 0.90 0.21 0.09 0.00 -1.18 0.00 0.00 61.69 61.71 3khd s THR 31 Cb -0.67 -3.85 0.17 0.00 1.34 0.00 0.00 72.50 69.49 3khd s THR 31 CO 0.49 -0.79 1.92 -0.07 -0.54 0.00 0.00 174.62 175.63 3khd h LEU 32 N 0.40 0.26 -0.41 4.79 3.38 -2.00 -2.65 115.31 119.07 3khd h LEU 32 Ca -0.47 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.45 3khd h LEU 32 Cb 1.20 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 3khd h LEU 32 CO 0.62 0.39 0.25 0.03 0.09 0.00 0.00 178.44 179.82 3khd h ARG 33 N 0.26 0.56 -0.61 1.13 2.47 -1.94 -0.11 114.38 116.14 3khd h ARG 33 Ca 0.06 -0.05 0.08 0.00 -1.26 0.00 0.00 59.98 58.81 3khd h ARG 33 Cb 0.34 -0.12 -0.04 0.00 -1.65 0.00 0.00 29.97 28.51 3khd h ARG 33 CO 0.02 0.41 0.41 1.96 0.56 0.00 0.00 179.97 183.33 3khd h GLN 34 N 0.55 0.48 0.08 0.04 4.20 -1.75 -1.09 115.11 117.61 3khd h GLN 34 Ca 0.15 -0.03 -0.32 0.00 0.06 0.00 0.00 58.65 58.50 3khd h GLN 34 Cb -0.00 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 3khd h GLN 34 CO -0.03 0.32 -1.79 0.82 -0.67 0.00 0.00 178.83 177.48 3khd h ILE 35 N 0.50 0.82 0.00 2.54 2.04 -1.33 -3.42 117.51 118.66 3khd h ILE 35 Ca 0.27 -2.58 -0.29 0.00 1.00 0.00 0.00 64.86 63.27 3khd h ILE 35 Cb 0.43 2.53 -0.05 0.00 -0.74 0.00 0.00 36.82 38.98 3khd h ILE 35 CO -0.08 0.73 -2.08 0.18 0.00 0.00 0.00 178.15 176.90 3khd n LEU 36 N -3.31 0.62 -4.87 1.44 4.77 -0.08 -4.97 117.00 110.60 3khd n LEU 36 Ca -0.23 -0.02 -0.37 0.00 -0.03 0.00 0.00 56.01 55.36 3khd n LEU 36 Cb 1.05 0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 42.24 3khd n LEU 36 CO 0.45 0.48 -0.10 -1.61 -1.33 0.00 0.00 177.39 175.28 3khd s GLU 37 N -2.38 3.57 0.58 3.23 8.01 -0.43 -5.07 118.70 126.22 3khd s GLU 37 Ca -0.12 0.00 -0.19 0.00 0.01 0.00 0.00 54.97 54.68 3khd s GLU 37 Cb 0.05 -3.20 -0.04 0.00 -4.31 0.00 0.00 34.13 26.63 3khd s GLU 37 CO 0.60 0.75 1.19 -2.14 0.01 0.00 0.00 175.26 175.67 3khd s PRO 38 N -1.02 3.08 -0.38 0.39 0.02 -1.26 -4.68 135.00 131.15 3khd s PRO 38 Ca 0.17 1.77 -0.24 0.00 0.02 0.00 0.00 61.00 62.72 3khd s PRO 38 Cb -0.13 -1.95 0.01 0.00 0.02 0.00 0.00 34.50 32.45 3khd s PRO 38 CO 0.06 -1.11 0.85 1.21 -0.33 0.00 0.00 177.00 177.68 3khd s ASN 39 N -1.63 6.59 -0.29 2.53 2.47 -1.26 -4.94 114.94 118.41 3khd s ASN 39 Ca 0.76 0.40 0.12 0.00 0.42 0.00 0.00 52.86 54.56 3khd s ASN 39 Cb -0.29 -2.43 0.71 0.00 -1.45 0.00 0.00 41.25 37.80 3khd s ASN 39 CO 0.31 -0.82 1.71 0.59 -3.72 0.00 0.00 177.10 175.18 3khd n ASN 40 N 6.63 4.66 -4.78 -4.21 3.02 -1.26 -4.96 115.26 114.37 3khd n ASN 40 Ca 0.05 -3.19 -0.33 0.00 -0.03 0.00 0.00 54.58 51.07 3khd n ASN 40 Cb 0.48 -0.70 0.02 0.00 -0.61 0.00 0.00 39.78 38.97 3khd n ASN 40 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3khd s VAL 41 N -2.96 3.44 0.25 2.41 1.01 -1.26 -5.00 120.40 118.29 3khd s VAL 41 Ca 0.52 0.74 -0.30 0.00 0.00 0.00 0.00 61.98 62.94 3khd s VAL 41 Cb 0.42 -3.25 -0.10 0.00 0.00 0.00 0.00 36.38 33.45 3khd s VAL 41 CO 0.12 -0.35 1.39 0.21 0.00 0.00 0.00 175.10 176.47 3khd s ASN 42 N -2.43 6.73 0.52 3.32 3.84 -1.26 -4.92 114.94 120.75 3khd s ASN 42 Ca 0.67 2.60 0.27 0.00 0.21 0.00 0.00 52.86 56.61 3khd s ASN 42 Cb -0.19 -2.62 1.44 0.00 -0.55 0.00 0.00 41.25 39.33 3khd s ASN 42 CO 0.35 -0.63 2.07 -0.07 -2.79 0.00 0.00 177.10 176.03 3khd h LEU 43 N 4.91 0.00 -0.13 3.21 3.38 -1.92 -1.50 115.31 123.26 3khd h LEU 43 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 3khd h LEU 43 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3khd h LEU 43 CO 0.76 0.12 -0.15 0.54 0.09 0.00 0.00 178.44 179.79 3khd n ARG 44 N -3.67 0.41 -0.01 1.13 1.74 -1.26 -3.59 116.66 111.40 3khd n ARG 44 Ca -0.02 -0.13 0.14 0.00 -0.77 0.00 0.00 57.85 57.06 3khd n ARG 44 Cb 0.23 -1.50 0.60 0.00 -1.02 0.00 0.00 32.46 30.77 3khd n ARG 44 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3khd n SER 45 N -1.18 1.09 -4.73 0.55 2.88 -0.56 -4.92 113.62 106.74 3khd n SER 45 Ca 0.11 -1.42 -0.31 0.00 -1.33 0.00 0.00 58.87 55.92 3khd n SER 45 Cb 0.30 -0.02 0.12 0.00 -0.75 0.00 0.00 64.21 63.86 3khd n SER 45 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 3khd s LYS 46 N -1.96 1.84 -0.14 -1.46 -2.85 -1.24 -5.00 119.74 108.94 3khd s LYS 46 Ca 0.39 1.34 -0.10 0.00 -1.00 0.00 0.00 55.97 56.60 3khd s LYS 46 Cb 0.20 -1.84 -0.25 0.00 -2.06 0.00 0.00 37.83 33.88 3khd s LYS 46 CO 0.32 -1.98 0.34 1.63 0.10 0.00 0.00 175.35 175.76 3khd n LYS 47 N -3.68 0.72 -2.50 1.78 4.76 -1.26 -4.75 118.16 113.24 3khd n LYS 47 Ca 0.10 0.32 -0.42 0.00 -2.87 0.00 0.00 58.31 55.44 3khd n LYS 47 Cb 0.52 -1.72 -0.03 0.00 -1.84 0.00 0.00 35.03 31.97 3khd n LYS 47 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3khd s THR 48 N -2.52 4.35 0.12 -0.18 2.01 -1.26 -0.50 115.64 117.66 3khd s THR 48 Ca -0.24 1.66 -0.10 0.00 0.31 0.00 0.00 61.69 63.32 3khd s THR 48 Cb 0.06 -4.07 -0.06 0.00 0.01 0.00 0.00 72.50 68.45 3khd s THR 48 CO 0.74 -0.02 0.45 -1.00 -0.69 0.00 0.00 174.62 174.09 3khd s HIS 49 N 2.38 3.55 -0.16 4.92 3.76 -1.13 -4.95 115.29 123.67 3khd s HIS 49 Ca 0.54 0.83 -0.06 0.00 -0.15 0.00 0.00 55.06 56.23 3khd s HIS 49 Cb -0.23 -2.20 -0.04 0.00 1.11 0.00 0.00 32.58 31.22 3khd s HIS 49 CO 0.20 0.45 0.03 0.42 -0.85 0.00 0.00 174.74 174.99 3khd s ILE 50 N -1.50 4.52 -0.28 0.60 1.01 -1.26 -1.66 121.20 122.62 3khd s ILE 50 Ca 0.37 -0.14 -0.11 0.00 0.00 0.00 0.00 60.65 60.77 3khd s ILE 50 Cb -0.14 -3.00 -0.05 0.00 0.01 0.00 0.00 42.46 39.28 3khd s ILE 50 CO 0.19 0.49 0.19 -0.69 0.00 0.00 0.00 174.94 175.13 3khd s VAL 51 N 0.15 5.31 -0.19 2.92 1.01 0.16 -2.05 120.40 127.70 3khd s VAL 51 Ca 0.03 0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 3khd s VAL 51 Cb -0.13 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 3khd s VAL 51 CO 0.01 0.25 -0.04 0.00 0.00 0.00 0.00 175.10 175.32 3khd s THR 53 N 1.02 3.80 -0.07 0.00 -4.23 -0.75 -0.01 115.64 115.39 3khd s THR 53 Ca 0.01 1.70 -0.12 0.00 -1.18 0.00 0.00 61.69 62.09 3khd s THR 53 Cb -0.15 -4.08 -0.05 0.00 1.34 0.00 0.00 72.50 69.56 3khd s THR 53 CO 0.00 0.36 0.30 -0.76 -0.54 0.00 0.00 174.62 173.98 3khd s LEU 54 N -0.94 4.41 0.00 4.79 1.43 -0.16 -3.51 118.68 124.69 3khd s LEU 54 Ca 0.45 0.72 0.00 0.00 -1.03 0.00 0.00 54.13 54.27 3khd s LEU 54 Cb -0.29 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.55 3khd s LEU 54 CO 0.36 0.31 0.00 0.61 0.23 0.00 0.00 176.35 177.87 3khd n GLY 55 N 2.15 2.95 0.40 -3.19 0.00 -1.26 -4.66 105.19 101.58 3khd n GLY 55 Ca -0.16 -1.04 0.18 0.00 0.00 0.00 0.00 46.02 45.01 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 0.36 0.00 1.61 0.11 -1.81 -0.77 132.00 131.49 3khd h PRO 56 Ca 0.00 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.01 3khd h PRO 56 Cb 0.00 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 3khd h PRO 56 CO 0.00 0.24 -0.36 0.00 -0.21 0.00 0.00 178.00 177.66 3khd h ALA 57 N 1.63 0.95 0.00 -0.75 0.00 -1.54 -2.94 119.26 116.61 3khd h ALA 57 Ca 0.42 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3khd h ALA 57 Cb 1.07 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3khd h ALA 57 CO -0.13 0.45 -0.48 0.00 0.00 0.00 0.00 179.25 179.09 3khd n LYS 59 N -2.47 -0.13 -1.70 0.00 4.76 -0.89 -4.33 118.16 113.41 3khd n LYS 59 Ca 0.03 0.79 -0.39 0.00 -2.87 0.00 0.00 58.31 55.87 3khd n LYS 59 Cb 0.48 -1.17 0.04 0.00 -1.84 0.00 0.00 35.03 32.55 3khd n LYS 59 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3khd n SER 60 N -3.61 2.03 0.19 4.39 3.41 -1.26 -4.92 113.62 113.85 3khd n SER 60 Ca 0.01 0.93 0.04 0.00 -0.26 0.00 0.00 58.87 59.58 3khd n SER 60 Cb 0.07 -1.51 0.38 0.00 -0.26 0.00 0.00 64.21 62.90 3khd n SER 60 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3khd h VAL 61 N 1.13 1.17 0.11 -3.33 3.04 -1.88 -2.85 116.25 113.65 3khd h VAL 61 Ca -0.50 -1.27 -0.01 0.00 -1.01 0.00 0.00 66.70 63.92 3khd h VAL 61 Cb 1.33 1.70 0.00 0.00 -2.01 0.00 0.00 31.29 32.31 3khd h VAL 61 CO 0.55 0.35 -0.06 1.05 -1.01 0.00 0.00 177.57 178.46 3khd h GLU 62 N 0.00 -0.15 0.00 4.17 -0.00 -1.92 -2.53 114.58 114.15 3khd h GLU 62 Ca -0.00 0.01 -0.06 0.00 -0.00 0.00 0.00 59.36 59.31 3khd h GLU 62 Cb 0.67 0.03 -0.01 0.00 -0.00 0.00 0.00 28.75 29.45 3khd h GLU 62 CO 0.05 0.18 -0.27 1.79 -0.00 0.00 0.00 179.01 180.75 3khd h THR 63 N -0.49 0.84 -0.00 -1.06 1.35 -1.88 -2.52 112.91 109.16 3khd h THR 63 Ca -0.02 -1.09 -0.17 0.00 -0.55 0.00 0.00 66.41 64.59 3khd h THR 63 Cb 0.40 1.66 -0.02 0.00 -1.73 0.00 0.00 68.15 68.45 3khd h THR 63 CO 0.03 0.27 -0.77 0.25 -0.25 0.00 0.00 175.52 175.04 3khd h LEU 64 N 0.00 0.05 -0.29 3.87 5.85 -1.47 -0.61 115.31 122.71 3khd h LEU 64 Ca -0.00 -0.04 -0.19 0.00 0.84 0.00 0.00 57.88 58.49 3khd h LEU 64 Cb 0.64 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.65 3khd h LEU 64 CO 0.04 0.80 -0.54 0.58 -0.34 0.00 0.00 178.44 178.98 3khd h VAL 65 N 0.02 1.27 0.00 1.05 2.07 -1.27 -2.79 116.25 116.61 3khd h VAL 65 Ca -0.01 -1.72 -0.03 0.00 0.82 0.00 0.00 66.70 65.76 3khd h VAL 65 Cb 1.36 1.62 -0.00 0.00 -1.52 0.00 0.00 31.29 32.75 3khd h VAL 65 CO 0.10 0.56 -0.14 0.11 0.02 0.00 0.00 177.57 178.23 3khd h LYS 66 N 0.68 0.00 -0.09 1.57 1.57 -1.27 -1.76 116.57 117.26 3khd h LYS 66 Ca 0.02 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.58 3khd h LYS 66 Cb 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3khd h LYS 66 CO 0.12 0.14 -0.80 -0.07 -0.57 0.00 0.00 179.45 178.27 3khd h LEU 67 N 0.00 0.70 -0.11 2.94 3.38 -1.03 -2.55 115.31 118.64 3khd h LEU 67 Ca -0.00 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 3khd h LEU 67 Cb 0.44 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3khd h LEU 67 CO 0.02 1.25 0.06 0.40 0.09 0.00 0.00 178.44 180.26 3khd h ILE 68 N 0.38 1.09 0.00 1.22 2.04 -1.10 -2.23 117.51 118.91 3khd h ILE 68 Ca -0.05 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 3khd h ILE 68 Cb 1.41 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 38.52 3khd h ILE 68 CO 0.15 0.08 -0.11 0.44 0.00 0.00 0.00 178.15 178.70 3khd h ASP 69 N 0.09 0.00 1.60 1.72 3.32 -1.40 -1.37 116.42 120.38 3khd h ASP 69 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3khd h ASP 69 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 3khd h ASP 69 CO -0.01 0.11 0.00 0.00 -1.72 0.00 0.00 179.24 177.63 3khd h ALA 70 N 1.89 1.00 0.00 3.45 0.00 -1.14 -3.43 119.26 121.03 3khd h ALA 70 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3khd h ALA 70 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3khd h ALA 70 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 3khd n GLY 71 N 0.81 1.51 3.75 0.00 0.00 -0.52 -4.23 105.19 106.51 3khd n GLY 71 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3khd n GLY 71 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3khd s MET 72 N 0.00 4.76 0.00 1.61 0.00 -0.88 -4.17 119.30 120.63 3khd s MET 72 Ca 0.00 1.60 0.00 0.00 0.00 0.00 0.00 55.69 57.29 3khd s MET 72 Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 34.83 31.57 3khd s MET 72 CO 0.00 0.37 0.00 -0.25 0.00 0.00 0.00 175.02 175.14 3khd n ASP 73 N 1.53 2.76 -3.90 1.11 8.00 -0.92 -4.80 116.55 120.33 3khd n ASP 73 Ca -0.01 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.27 3khd n ASP 73 Cb 0.46 0.11 -0.17 0.00 -0.02 0.00 0.00 41.12 41.51 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 -1.64 0.64 -0.20 0.53 1.01 -0.87 -0.97 121.20 119.70 3khd s ILE 74 Ca 0.00 -0.16 -0.16 0.00 0.00 0.00 0.00 60.65 60.33 3khd s ILE 74 Cb 0.00 -0.66 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 3khd s ILE 74 CO 0.00 0.26 0.41 0.00 0.00 0.00 0.00 174.94 175.61 3khd s ARG 76 N 1.34 4.13 -0.29 0.00 3.52 0.98 -1.15 118.95 127.48 3khd s ARG 76 Ca 0.20 -0.19 -0.11 0.00 -0.13 0.00 0.00 55.73 55.49 3khd s ARG 76 Cb -0.15 -3.49 -0.04 0.00 -1.56 0.00 0.00 34.95 29.71 3khd s ARG 76 CO 0.08 0.15 0.19 -0.06 -0.81 0.00 0.00 175.30 174.85 3khd s PHE 77 N 0.79 3.21 -0.43 5.12 0.08 0.01 -0.99 117.98 125.76 3khd s PHE 77 Ca 0.09 -0.05 0.10 0.00 0.12 0.00 0.00 56.93 57.19 3khd s PHE 77 Cb -0.13 -2.38 0.35 0.00 -0.57 0.00 0.00 43.02 40.28 3khd s PHE 77 CO 0.02 -0.24 0.79 0.09 -0.10 0.00 0.00 175.22 175.79 3khd n ASN 78 N 5.05 1.91 0.00 1.36 5.03 -1.26 -1.95 115.26 125.40 3khd n ASN 78 Ca -0.14 -3.21 0.00 0.00 0.87 0.00 0.00 54.58 52.11 3khd n ASN 78 Cb 0.51 -0.60 0.00 0.00 -1.02 0.00 0.00 39.78 38.67 3khd n ASN 78 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3khd n SER 83 N 0.15 0.00 -0.15 6.41 3.41 -1.26 -4.99 113.62 117.18 3khd n SER 83 Ca 0.27 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.80 3khd n SER 83 Cb 0.58 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.60 3khd n SER 83 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3khd h HIS 84 N 0.01 1.02 0.00 7.33 -0.00 -2.05 -2.90 115.15 118.55 3khd h HIS 84 Ca 0.00 -0.18 -0.03 0.00 -0.00 0.00 0.00 60.37 60.15 3khd h HIS 84 Cb 0.00 -0.26 -0.00 0.00 -0.00 0.00 0.00 27.41 27.14 3khd h HIS 84 CO 0.00 0.94 -0.16 0.93 -0.00 0.00 0.00 177.93 179.65 3khd h GLU 85 N 0.84 0.00 -0.33 2.45 3.07 -2.05 -2.94 114.58 115.62 3khd h GLU 85 Ca 0.14 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.85 3khd h GLU 85 Cb 0.59 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.49 3khd h GLU 85 CO 0.04 0.16 -0.41 0.38 -1.40 0.00 0.00 179.01 177.77 3khd h ASP 86 N 0.00 0.88 0.20 1.42 3.04 -1.96 -1.75 116.42 118.26 3khd h ASP 86 Ca -0.00 -0.41 -0.11 0.00 -3.24 0.00 0.00 57.03 53.27 3khd h ASP 86 Cb 0.57 -0.25 -0.01 0.00 -1.04 0.00 0.00 39.33 38.60 3khd h ASP 86 CO 0.02 1.17 -0.42 0.45 -2.04 0.00 0.00 179.24 178.42 3khd h HIS 87 N 0.67 0.33 0.00 4.15 -0.00 -1.54 -2.95 115.15 115.81 3khd h HIS 87 Ca 0.05 -0.09 -0.09 0.00 -0.00 0.00 0.00 60.37 60.24 3khd h HIS 87 Cb 0.98 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 28.30 3khd h HIS 87 CO 0.06 0.66 -0.44 0.87 -0.00 0.00 0.00 177.93 179.08 3khd h LYS 88 N 0.23 0.00 -0.27 2.45 1.79 -1.35 0.53 116.57 119.97 3khd h LYS 88 Ca 0.02 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 3khd h LYS 88 Cb 0.85 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.49 3khd h LYS 88 CO 0.07 0.44 0.07 0.93 -1.08 0.00 0.00 179.45 179.88 3khd h GLU 89 N 0.00 0.42 -0.32 3.15 5.08 -1.17 -2.61 114.58 119.13 3khd h GLU 89 Ca -0.00 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 3khd h GLU 89 Cb 0.80 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 3khd h GLU 89 CO 0.06 0.51 -0.05 0.52 -1.00 0.00 0.00 179.01 179.05 3khd h MET 90 N 0.26 0.59 -0.56 2.33 2.86 -1.33 -2.26 114.93 116.82 3khd h MET 90 Ca 0.08 -0.21 0.04 0.00 -2.06 0.00 0.00 59.70 57.55 3khd h MET 90 Cb 0.27 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.85 3khd h MET 90 CO -0.00 0.76 0.30 0.35 1.06 0.00 0.00 176.91 179.38 3khd h PHE 91 N 0.37 0.56 -0.36 -0.22 3.57 -0.92 0.21 116.94 120.15 3khd h PHE 91 Ca 0.08 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.45 3khd h PHE 91 Cb 0.52 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 3khd h PHE 91 CO 0.05 0.28 -0.38 -0.91 -2.23 0.00 0.00 178.31 175.12 3khd h ASN 92 N 0.58 0.91 0.74 0.41 2.35 -1.49 -2.37 115.58 116.71 3khd h ASN 92 Ca 0.24 -0.41 -0.04 0.00 -0.55 0.00 0.00 56.30 55.54 3khd h ASN 92 Cb 0.12 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3khd h ASN 92 CO -0.15 1.18 -0.20 -0.55 -1.65 0.00 0.00 177.43 176.06 3khd h ASN 93 N 0.70 0.00 -0.06 5.81 7.08 -0.96 -1.59 115.58 126.55 3khd h ASN 93 Ca 0.06 0.00 -0.15 0.00 -3.08 0.00 0.00 56.30 53.13 3khd h ASN 93 Cb 0.95 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 37.20 3khd h ASN 93 CO 0.09 0.20 -0.55 1.62 -2.08 0.00 0.00 177.43 176.72 3khd h VAL 94 N 0.00 1.39 -0.00 6.14 3.04 -0.42 -2.49 116.25 123.90 3khd h VAL 94 Ca -0.00 -1.92 -0.09 0.00 -1.01 0.00 0.00 66.70 63.68 3khd h VAL 94 Cb 0.63 2.35 -0.01 0.00 -2.01 0.00 0.00 31.29 32.24 3khd h VAL 94 CO 0.03 0.57 -0.42 -0.07 -1.01 0.00 0.00 177.57 176.67 3khd h LEU 95 N 0.04 0.00 -0.49 3.16 3.38 -1.29 0.11 115.31 120.22 3khd h LEU 95 Ca -0.05 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 3khd h LEU 95 Cb 1.21 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 3khd h LEU 95 CO 0.11 0.42 -0.20 0.11 0.09 0.00 0.00 178.44 178.97 3khd h LYS 96 N 0.00 1.00 -0.35 1.13 1.57 -1.34 -0.50 116.57 118.08 3khd h LYS 96 Ca -0.00 -0.42 -0.12 0.00 -1.87 0.00 0.00 60.65 58.24 3khd h LYS 96 Cb 0.74 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 3khd h LYS 96 CO 0.05 1.10 -0.26 0.00 -0.57 0.00 0.00 179.45 179.78 3khd h ALA 97 N 0.87 0.88 -0.27 3.86 0.00 -1.07 -2.10 119.26 121.45 3khd h ALA 97 Ca 0.11 -0.38 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 3khd h ALA 97 Cb 0.78 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3khd h ALA 97 CO 0.06 0.63 -0.42 0.37 0.00 0.00 0.00 179.25 179.89 3khd h GLN 98 N 0.62 0.66 -0.05 0.00 4.15 -0.66 -2.16 115.11 117.67 3khd h GLN 98 Ca 0.08 -0.35 -0.10 0.00 0.77 0.00 0.00 58.65 59.05 3khd h GLN 98 Cb 0.76 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.45 3khd h GLN 98 CO 0.06 0.96 -0.44 0.93 -1.93 0.00 0.00 178.83 178.41 3khd h GLU 99 N 0.54 0.12 0.00 1.69 5.08 -1.05 -2.60 114.58 118.36 3khd h GLU 99 Ca 0.04 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3khd h GLU 99 Cb 0.95 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 3khd h GLU 99 CO 0.09 0.54 0.00 1.37 -1.00 0.00 0.00 179.01 180.01 3khd h LEU 100 N 0.10 0.00 0.00 1.33 -0.00 -1.10 -3.51 115.31 112.13 3khd h LEU 100 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 3khd h LEU 100 Cb 0.83 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.49 3khd h LEU 100 CO 0.06 0.00 0.00 -2.11 -0.00 0.00 0.00 178.44 176.39 3khd n ARG 101 N -2.84 1.61 -0.88 0.17 1.85 -0.84 -5.08 116.66 110.64 3khd n ARG 101 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.87 3khd n ARG 101 Cb 0.37 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.78 3khd n ARG 101 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3khd s LEU 105 N 0.00 3.89 -0.15 0.00 1.98 -1.26 -4.99 118.68 118.15 3khd s LEU 105 Ca 0.00 0.07 -0.09 0.00 -2.89 0.00 0.00 54.13 51.22 3khd s LEU 105 Cb 0.00 -2.01 -0.05 0.00 0.66 0.00 0.00 46.19 44.79 3khd s LEU 105 CO 0.00 0.11 0.15 -0.76 -1.89 0.00 0.00 176.35 173.97 3khd s LEU 106 N 0.74 4.31 0.40 -0.68 1.43 -1.26 -4.90 118.68 118.71 3khd s LEU 106 Ca 0.05 0.38 -0.23 0.00 -1.03 0.00 0.00 54.13 53.31 3khd s LEU 106 Cb -0.13 -2.11 -0.10 0.00 0.03 0.00 0.00 46.19 43.88 3khd s LEU 106 CO 0.02 0.29 0.98 -0.83 0.23 0.00 0.00 176.35 177.04 3khd s GLY 107 N -0.36 2.59 -0.20 -3.19 0.00 -0.15 -4.91 107.32 101.11 3khd s GLY 107 Ca 0.12 0.53 0.01 0.00 0.00 0.00 0.00 44.72 45.38 3khd s GLY 107 CO 0.02 0.89 -0.18 1.06 0.00 0.00 0.00 173.10 174.88 3khd s MET 108 N -2.74 2.81 -0.08 2.90 1.00 -1.26 -0.87 119.30 121.06 3khd s MET 108 Ca 0.59 -0.94 0.04 0.00 0.00 0.00 0.00 55.69 55.37 3khd s MET 108 Cb -0.15 -2.64 -0.01 0.00 0.00 0.00 0.00 34.83 32.03 3khd s MET 108 CO 0.20 -0.29 -0.23 -1.17 0.00 0.00 0.00 175.02 173.53 3khd s LEU 109 N 1.25 2.18 -0.15 -0.03 0.20 -0.30 -0.70 118.68 121.12 3khd s LEU 109 Ca 0.02 -0.50 -0.03 0.00 0.69 0.00 0.00 54.13 54.31 3khd s LEU 109 Cb -0.15 -1.42 -0.02 0.00 -0.43 0.00 0.00 46.19 44.17 3khd s LEU 109 CO -0.11 0.20 -0.06 -1.48 -0.29 0.00 0.00 176.35 174.61 3khd s LEU 110 N 0.10 3.10 -0.26 -0.68 2.34 -0.63 -0.81 118.68 121.84 3khd s LEU 110 Ca -0.11 -0.19 -0.06 0.00 0.06 0.00 0.00 54.13 53.83 3khd s LEU 110 Cb -0.16 -1.74 -0.01 0.00 -0.56 0.00 0.00 46.19 43.73 3khd s LEU 110 CO 0.06 0.16 0.04 -0.62 -1.06 0.00 0.00 176.35 174.94 3khd s ASP 111 N 0.39 4.89 0.62 1.48 2.15 -0.82 0.21 116.67 125.59 3khd s ASP 111 Ca -0.06 -0.49 -0.16 0.00 0.43 0.00 0.00 52.55 52.28 3khd s ASP 111 Cb -0.15 -1.85 -0.02 0.00 -0.30 0.00 0.00 42.92 40.60 3khd s ASP 111 CO 0.04 -0.10 1.09 0.42 -0.17 0.00 0.00 175.17 176.44 3khd s THR 112 N 1.52 3.48 -0.13 1.71 -4.23 -0.72 -4.75 115.64 112.52 3khd s THR 112 Ca 0.04 0.72 -0.28 0.00 -1.18 0.00 0.00 61.69 60.99 3khd s THR 112 Cb -0.16 -3.24 -0.26 0.00 1.34 0.00 0.00 72.50 70.18 3khd s THR 112 CO 0.01 -0.40 0.79 0.50 -0.54 0.00 0.00 174.62 174.98 3khd h LYS 113 N 0.32 0.03 0.00 3.99 1.63 -1.95 -3.43 116.57 117.15 3khd h LYS 113 Ca -0.47 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.29 3khd h LYS 113 Cb 1.24 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.88 3khd h LYS 113 CO 0.56 1.01 0.00 0.41 -3.45 0.00 0.00 179.45 177.98 3khd n GLY 114 N 1.59 -0.50 0.40 5.01 0.00 -1.26 -4.96 105.19 105.48 3khd n GLY 114 Ca -0.10 -1.10 -0.04 0.00 0.00 0.00 0.00 46.02 44.78 3khd n GLY 114 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3khd n PRO 115 N -0.10 -1.97 -1.66 1.61 -0.02 -1.26 -4.97 135.00 126.63 3khd n PRO 115 Ca 0.00 -0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.29 3khd n PRO 115 Cb 0.00 -0.22 0.00 0.00 -0.02 0.00 0.00 33.50 33.26 3khd n PRO 115 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3khd n PRO 212 N -2.27 0.00 0.30 0.52 -0.04 -1.26 -5.21 135.00 127.03 3khd n PRO 212 Ca 0.02 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.36 3khd n PRO 212 Cb 0.07 -1.88 -0.06 0.00 -0.04 0.00 0.00 33.50 31.60 3khd n PRO 212 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3khd h ILE 213 N 0.00 0.00 -3.43 0.52 2.04 -1.99 -3.42 117.51 111.22 3khd h ILE 213 Ca 0.00 -0.31 -0.63 0.00 1.00 0.00 0.00 64.86 64.92 3khd h ILE 213 Cb 0.96 0.00 -0.19 0.00 -0.74 0.00 0.00 36.82 36.85 3khd h ILE 213 CO 0.00 0.00 -0.60 0.27 0.00 0.00 0.00 178.15 177.82 3khd s ILE 214 N -4.20 4.45 0.61 -0.67 -4.36 -1.26 -4.99 121.20 110.78 3khd s ILE 214 Ca -0.12 -0.14 -0.16 0.00 -0.26 0.00 0.00 60.65 59.97 3khd s ILE 214 Cb 0.01 -3.03 -0.03 0.00 1.25 0.00 0.00 42.46 40.67 3khd s ILE 214 CO 0.35 0.42 1.08 -0.44 0.24 0.00 0.00 174.94 176.58 3khd s SER 215 N 0.85 5.58 0.24 4.36 0.01 -1.26 -4.88 113.70 118.58 3khd s SER 215 Ca 0.03 1.90 -0.01 0.00 1.31 0.00 0.00 55.95 59.18 3khd s SER 215 Cb -0.14 -2.54 0.26 0.00 0.21 0.00 0.00 66.02 63.81 3khd s SER 215 CO 0.02 -1.31 1.63 -0.33 0.41 0.00 0.00 173.24 173.67 3khd h GLU 216 N 0.40 0.59 -0.23 12.44 4.39 -1.98 0.18 114.58 130.36 3khd h GLU 216 Ca -0.47 -0.26 -0.11 0.00 0.34 0.00 0.00 59.36 58.85 3khd h GLU 216 Cb 1.23 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.85 3khd h GLU 216 CO 0.56 0.84 -0.32 0.87 -1.16 0.00 0.00 179.01 179.80 3khd h LYS 217 N 0.50 0.48 -0.17 2.33 6.56 -1.99 -1.83 116.57 122.45 3khd h LYS 217 Ca 0.06 -0.21 -0.21 0.00 -1.06 0.00 0.00 60.65 59.23 3khd h LYS 217 Cb 0.80 -0.01 0.01 0.00 -0.57 0.00 0.00 32.23 32.46 3khd h LYS 217 CO 0.07 0.75 -0.72 0.38 -2.06 0.00 0.00 179.45 177.86 3khd h ASP 218 N 0.41 0.93 -0.49 0.86 -0.00 -1.86 -2.08 116.42 114.19 3khd h ASP 218 Ca 0.05 -0.62 -0.06 0.00 -0.00 0.00 0.00 57.03 56.40 3khd h ASP 218 Cb 0.77 -0.27 -0.02 0.00 -0.00 0.00 0.00 39.33 39.80 3khd h ASP 218 CO 0.06 1.39 0.09 0.07 -0.00 0.00 0.00 179.24 180.85 3khd h LYS 219 N 0.53 0.86 -0.11 4.15 -0.00 -0.60 0.10 116.57 121.50 3khd h LYS 219 Ca -0.04 -0.20 -0.13 0.00 -0.00 0.00 0.00 60.65 60.28 3khd h LYS 219 Cb 1.35 -0.12 -0.01 0.00 -0.00 0.00 0.00 32.23 33.45 3khd h LYS 219 CO 0.15 0.80 -0.52 -0.91 -0.00 0.00 0.00 179.45 178.98 3khd h ASN 220 N 0.82 0.34 -0.14 7.07 4.21 -1.35 -2.18 115.58 124.36 3khd h ASN 220 Ca 0.17 -0.17 -0.13 0.00 1.21 0.00 0.00 56.30 57.38 3khd h ASN 220 Cb 0.36 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.47 3khd h ASN 220 CO 0.01 0.79 -0.43 -2.24 -1.29 0.00 0.00 177.43 174.27 3khd h ASP 221 N 0.24 0.61 0.00 5.81 -0.00 -0.96 -2.25 116.42 119.87 3khd h ASP 221 Ca 0.01 -0.60 -0.00 0.00 -0.00 0.00 0.00 57.03 56.44 3khd h ASP 221 Cb 0.99 -0.18 0.00 0.00 -0.00 0.00 0.00 39.33 40.15 3khd h ASP 221 CO 0.08 1.11 -0.00 0.40 -0.00 0.00 0.00 179.24 180.83 3khd h ILE 222 N 0.15 1.17 0.13 4.15 2.04 -0.82 0.29 117.51 124.62 3khd h ILE 222 Ca -0.01 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 3khd h ILE 222 Cb 1.05 1.50 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 3khd h ILE 222 CO 0.09 0.13 -0.06 -0.07 0.00 0.00 0.00 178.15 178.24 3khd h LEU 223 N -0.21 -0.15 -0.17 1.44 3.38 -1.50 0.37 115.31 118.46 3khd h LEU 223 Ca -0.00 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3khd h LEU 223 Cb 0.21 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3khd h LEU 223 CO 0.00 0.46 -0.38 -0.46 0.09 0.00 0.00 178.44 178.15 3khd n ASN 224 N -4.87 0.65 0.00 -0.43 0.23 -0.84 -3.89 115.26 106.11 3khd n ASN 224 Ca -0.07 -0.45 0.00 0.00 -0.53 0.00 0.00 54.58 53.54 3khd n ASN 224 Cb 0.26 0.17 0.00 0.00 -2.08 0.00 0.00 39.78 38.12 3khd n ASN 224 CO 0.00 0.00 0.00 2.22 -0.93 0.00 0.00 177.26 178.55 3khd n PHE 225 N -1.20 0.00 0.10 -2.53 1.16 -0.95 -4.66 117.46 109.39 3khd n PHE 225 Ca 0.08 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.45 3khd n PHE 225 Cb 0.34 0.13 -0.13 0.00 -1.61 0.00 0.00 39.48 38.20 3khd n PHE 225 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3khd h ALA 226 N 0.00 0.02 0.07 1.98 0.00 -0.30 -2.73 119.26 118.30 3khd h ALA 226 Ca 0.00 -0.79 -0.27 0.00 0.00 0.00 0.00 54.91 53.84 3khd h ALA 226 Cb 0.63 0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.53 3khd h ALA 226 CO 0.00 0.74 -1.14 0.82 0.00 0.00 0.00 179.25 179.67 3khd h ILE 227 N 0.23 1.35 -0.47 0.00 1.08 -1.05 -3.06 117.51 115.59 3khd h ILE 227 Ca -0.18 -2.52 -0.07 0.00 -0.39 0.00 0.00 64.86 61.70 3khd h ILE 227 Cb 1.93 2.62 -0.02 0.00 -3.07 0.00 0.00 36.82 38.28 3khd h ILE 227 CO 0.23 0.76 0.01 1.55 -0.69 0.00 0.00 178.15 180.01 3khd h PRO 228 N 0.25 0.76 0.00 2.37 0.14 -1.67 -3.45 132.00 130.39 3khd h PRO 228 Ca -0.14 -0.20 0.00 0.00 0.14 0.00 0.00 66.00 65.80 3khd h PRO 228 Cb 1.81 -0.09 0.00 0.00 0.14 0.00 0.00 31.00 32.85 3khd h PRO 228 CO 0.21 0.76 0.00 -1.33 0.14 0.00 0.00 178.00 177.78 3khd n MET 229 N -4.23 0.00 -3.86 0.86 2.00 -1.03 -5.06 117.12 105.80 3khd n MET 229 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.62 3khd n MET 229 Cb 0.29 -0.04 -0.09 0.00 0.00 0.00 0.00 33.22 33.38 3khd n MET 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3khd n ASN 232 N 0.84 1.21 -4.32 0.00 4.13 -0.22 -4.77 115.26 112.13 3khd n ASN 232 Ca -0.20 0.36 -0.29 0.00 1.68 0.00 0.00 54.58 56.13 3khd n ASN 232 Cb 0.58 -0.28 -0.15 0.00 -1.54 0.00 0.00 39.78 38.40 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 -2.59 2.20 -0.14 3.10 0.40 0.12 -0.55 117.98 120.52 3khd s PHE 233 Ca -0.10 -0.40 -0.00 0.00 -0.60 0.00 0.00 56.93 55.83 3khd s PHE 233 Cb 0.08 -1.31 0.03 0.00 0.51 0.00 0.00 43.02 42.32 3khd s PHE 233 CO 0.81 0.12 -0.08 0.42 0.70 0.00 0.00 175.22 177.19 3khd s ILE 234 N -0.80 1.15 -0.53 0.64 -1.09 0.09 -1.61 121.20 119.04 3khd s ILE 234 Ca 0.11 -0.47 -0.19 0.00 -2.23 0.00 0.00 60.65 57.87 3khd s ILE 234 Cb -0.10 -1.21 0.07 0.00 -1.58 0.00 0.00 42.46 39.65 3khd s ILE 234 CO 0.02 0.29 0.62 0.00 -1.23 0.00 0.00 174.94 174.65 3khd s ALA 235 N 1.64 3.41 0.31 9.38 0.00 0.13 -0.86 121.76 135.78 3khd s ALA 235 Ca 0.03 -1.92 -0.23 0.00 0.00 0.00 0.00 51.96 49.85 3khd s ALA 235 Cb -0.14 -3.37 -0.09 0.00 0.00 0.00 0.00 23.12 19.52 3khd s ALA 235 CO -0.08 -2.07 0.87 0.00 0.00 0.00 0.00 175.76 174.48 3khd s ALA 236 N 2.54 3.25 -0.08 0.00 0.00 -0.95 -1.76 121.76 124.76 3khd s ALA 236 Ca 0.13 0.38 -0.04 0.00 0.00 0.00 0.00 51.96 52.43 3khd s ALA 236 Cb -0.21 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 3khd s ALA 236 CO 0.10 0.22 0.11 -1.12 0.00 0.00 0.00 175.76 175.07 3khd s SER 237 N -1.73 6.04 -0.65 0.00 0.01 -1.26 0.03 113.70 116.14 3khd s SER 237 Ca 0.50 0.33 -0.10 0.00 1.31 0.00 0.00 55.95 57.99 3khd s SER 237 Cb -0.16 -1.87 0.01 0.00 0.21 0.00 0.00 66.02 64.21 3khd s SER 237 CO 0.21 0.36 0.65 0.49 0.41 0.00 0.00 173.24 175.36 3khd n PHE 238 N 1.72 -2.80 -3.79 2.43 3.72 -1.24 -4.89 117.46 112.61 3khd n PHE 238 Ca -0.17 1.12 -0.36 0.00 -0.05 0.00 0.00 57.45 57.98 3khd n PHE 238 Cb 0.54 -3.37 -0.11 0.00 -0.94 0.00 0.00 39.48 35.60 3khd n PHE 238 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3khd s ILE 239 N -2.66 4.78 -0.06 4.37 1.09 -1.24 -4.97 121.20 122.52 3khd s ILE 239 Ca 0.12 -0.02 0.01 0.00 -1.10 0.00 0.00 60.65 59.66 3khd s ILE 239 Cb -0.02 -3.22 -0.00 0.00 -1.06 0.00 0.00 42.46 38.15 3khd s ILE 239 CO 0.81 0.36 0.21 0.00 -0.10 0.00 0.00 174.94 176.22 3khd n GLN 240 N 4.45 4.04 -3.96 2.79 6.02 -1.26 -4.11 117.38 125.35 3khd n GLN 240 Ca -0.16 -0.20 -0.09 0.00 -0.01 0.00 0.00 57.00 56.55 3khd n GLN 240 Cb 0.52 -0.71 -0.04 0.00 1.02 0.00 0.00 30.24 31.03 3khd n GLN 240 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3khd s SER 241 N -0.71 -0.07 0.00 1.08 1.04 -1.26 -4.38 113.70 109.40 3khd s SER 241 Ca 0.01 -0.89 0.30 0.00 0.48 0.00 0.00 55.95 55.85 3khd s SER 241 Cb 0.01 0.64 1.58 0.00 0.10 0.00 0.00 66.02 68.34 3khd s SER 241 CO 0.02 -1.23 2.08 0.00 0.98 0.00 0.00 173.24 175.09 3khd n ALA 242 N -0.42 2.51 0.08 5.32 0.00 -1.26 -3.06 120.51 123.68 3khd n ALA 242 Ca -0.02 -0.15 0.04 0.00 0.00 0.00 0.00 53.44 53.30 3khd n ALA 242 Cb 0.61 -1.49 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 3khd n ALA 242 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3khd h ASP 243 N 0.00 0.00 -0.50 0.00 3.32 -1.96 -3.31 116.42 113.97 3khd h ASP 243 Ca 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 3khd h ASP 243 Cb 0.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3khd h ASP 243 CO 0.00 0.39 -0.15 0.44 -1.72 0.00 0.00 179.24 178.20 3khd h ASP 244 N 0.00 1.00 -0.14 6.45 5.19 -1.96 -1.58 116.42 125.38 3khd h ASP 244 Ca -0.08 -0.37 -0.12 0.00 -0.62 0.00 0.00 57.03 55.83 3khd h ASP 244 Cb 1.37 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 40.59 3khd h ASP 244 CO 0.04 1.15 -0.32 -0.37 -3.12 0.00 0.00 179.24 176.61 3khd h VAL 245 N 0.85 1.28 -0.61 -1.35 -1.51 -1.71 -1.77 116.25 111.44 3khd h VAL 245 Ca 0.12 -1.45 -0.03 0.00 -1.23 0.00 0.00 66.70 64.11 3khd h VAL 245 Cb 0.72 1.41 -0.03 0.00 -2.13 0.00 0.00 31.29 31.26 3khd h VAL 245 CO 0.06 0.47 0.26 0.03 -1.23 0.00 0.00 177.57 177.16 3khd h ARG 246 N 0.54 0.89 -0.71 5.19 3.08 -1.63 -0.54 114.38 121.20 3khd h ARG 246 Ca 0.06 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 3khd h ARG 246 Cb 0.82 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 3khd h ARG 246 CO 0.07 0.74 0.37 -0.07 -1.07 0.00 0.00 179.97 180.01 3khd h LEU 247 N 0.84 0.90 -0.46 3.04 -0.00 -1.02 0.13 115.31 118.74 3khd h LEU 247 Ca 0.21 -0.08 -0.17 0.00 -0.00 0.00 0.00 57.88 57.83 3khd h LEU 247 Cb 0.17 -0.23 -0.02 0.00 -0.00 0.00 0.00 40.66 40.58 3khd h LEU 247 CO -0.02 0.74 -0.77 0.16 -0.00 0.00 0.00 178.44 178.55 3khd h ILE 248 N 1.00 1.50 -0.13 1.22 -2.65 -1.18 -2.68 117.51 114.59 3khd h ILE 248 Ca 0.25 -2.49 -0.14 0.00 1.03 0.00 0.00 64.86 63.51 3khd h ILE 248 Cb 0.06 2.35 -0.01 0.00 -2.05 0.00 0.00 36.82 37.17 3khd h ILE 248 CO -0.04 0.72 -0.52 0.08 0.03 0.00 0.00 178.15 178.42 3khd h ARG 249 N 0.06 0.37 -0.28 0.16 -0.00 -0.40 -2.60 114.38 111.70 3khd h ARG 249 Ca -0.02 -0.22 -0.03 0.00 -0.00 0.00 0.00 59.98 59.71 3khd h ARG 249 Cb 1.35 0.02 -0.01 0.00 -0.00 0.00 0.00 29.97 31.33 3khd h ARG 249 CO 0.11 0.81 0.06 -0.91 -0.00 0.00 0.00 179.97 180.03 3khd h ASN 250 N 0.29 0.43 0.16 0.08 4.21 -0.74 -2.54 115.58 117.48 3khd h ASN 250 Ca 0.01 -0.24 -0.02 0.00 1.21 0.00 0.00 56.30 57.25 3khd h ASN 250 Cb 1.02 -0.11 -0.00 0.00 -1.12 0.00 0.00 38.32 38.10 3khd h ASN 250 CO 0.09 0.56 -0.11 -0.07 -1.29 0.00 0.00 177.43 176.60 3khd h LEU 251 N 0.28 0.00 -0.12 1.61 4.07 -1.41 -2.26 115.31 117.48 3khd h LEU 251 Ca 0.09 0.00 -0.24 0.00 0.08 0.00 0.00 57.88 57.81 3khd h LEU 251 Cb 0.30 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.05 3khd h LEU 251 CO 0.00 0.11 -0.95 0.17 -1.08 0.00 0.00 178.44 176.69 3khd h LEU 252 N 0.00 0.72 0.00 1.67 -0.00 -1.36 -3.48 115.31 112.86 3khd h LEU 252 Ca -0.00 -0.55 0.00 0.00 -0.00 0.00 0.00 57.88 57.32 3khd h LEU 252 Cb 0.23 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 40.67 3khd h LEU 252 CO 0.01 1.35 0.00 0.61 -0.00 0.00 0.00 178.44 180.42 3khd n GLY 253 N 0.95 0.16 0.23 0.17 0.00 -0.85 -1.14 105.19 104.69 3khd n GLY 253 Ca -0.08 -0.96 0.09 0.00 0.00 0.00 0.00 46.02 45.07 3khd n GLY 253 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3khd h PRO 254 N 0.00 0.00 -0.01 1.61 0.11 -1.90 -2.08 132.00 129.73 3khd h PRO 254 Ca 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.99 3khd h PRO 254 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 3khd h PRO 254 CO 0.00 0.23 -0.55 0.00 -0.21 0.00 0.00 178.00 177.46 3khd h ARG 255 N 0.00 0.02 -0.96 1.05 3.08 -1.99 -3.16 114.38 112.42 3khd h ARG 255 Ca -0.00 -0.01 -0.38 0.00 0.07 0.00 0.00 59.98 59.66 3khd h ARG 255 Cb 0.57 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 30.40 3khd h ARG 255 CO 0.03 0.57 0.48 0.41 -1.07 0.00 0.00 179.97 180.39 3khd n GLY 256 N 0.07 3.91 0.20 0.04 0.00 -0.30 -4.52 105.19 104.60 3khd n GLY 256 Ca -0.01 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 45.03 3khd n GLY 256 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3khd h ARG 257 N 1.16 0.46 0.00 1.61 -0.00 -1.50 -3.27 114.38 112.84 3khd h ARG 257 Ca 0.47 -0.31 -0.10 0.00 -0.00 0.00 0.00 59.98 60.03 3khd h ARG 257 Cb 2.46 0.04 -0.02 0.00 -0.00 0.00 0.00 29.97 32.46 3khd h ARG 257 CO 0.86 0.92 -0.82 1.12 -0.00 0.00 0.00 179.97 182.05 3khd h HIS 258 N 0.35 0.00 -2.97 4.08 -0.00 -1.86 -3.46 115.15 111.28 3khd h HIS 258 Ca -0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 60.37 59.84 3khd h HIS 258 Cb 1.14 0.00 0.02 0.00 -0.00 0.00 0.00 27.41 28.57 3khd h HIS 258 CO 0.04 0.42 0.75 0.42 -0.00 0.00 0.00 177.93 179.56 3khd s ILE 259 N -3.02 3.27 -0.03 6.12 1.09 -1.23 -4.98 121.20 122.42 3khd s ILE 259 Ca 0.01 0.90 -0.18 0.00 -1.10 0.00 0.00 60.65 60.28 3khd s ILE 259 Cb 0.08 -3.58 -0.05 0.00 -1.06 0.00 0.00 42.46 37.85 3khd s ILE 259 CO 0.77 0.06 0.49 -1.59 -0.10 0.00 0.00 174.94 174.57 3khd s LYS 260 N 1.23 4.20 -0.27 2.79 0.00 0.29 -4.96 119.74 123.01 3khd s LYS 260 Ca 0.65 0.54 -0.11 0.00 0.00 0.00 0.00 55.97 57.06 3khd s LYS 260 Cb -0.37 -3.33 -0.05 0.00 0.00 0.00 0.00 37.83 34.09 3khd s LYS 260 CO 0.30 0.42 0.17 0.42 0.00 0.00 0.00 175.35 176.67 3khd s ILE 261 N -0.29 5.21 -0.41 3.79 1.01 -1.26 -0.73 121.20 128.52 3khd s ILE 261 Ca 0.27 0.14 0.03 0.00 0.00 0.00 0.00 60.65 61.08 3khd s ILE 261 Cb -0.17 -3.47 0.11 0.00 0.01 0.00 0.00 42.46 38.95 3khd s ILE 261 CO 0.14 0.28 0.15 -0.63 0.00 0.00 0.00 174.94 174.88 3khd s ILE 262 N 1.61 2.11 0.31 2.92 1.09 -0.04 -1.79 121.20 127.41 3khd s ILE 262 Ca 0.07 -2.59 -0.29 0.00 -1.10 0.00 0.00 60.65 56.73 3khd s ILE 262 Cb -0.15 -2.52 -0.10 0.00 -1.06 0.00 0.00 42.46 38.62 3khd s ILE 262 CO 0.09 -0.71 1.43 -2.84 -0.10 0.00 0.00 174.94 172.80 3khd s PRO 263 N 0.51 4.24 -0.14 2.79 0.02 -1.23 -2.24 135.00 138.96 3khd s PRO 263 Ca 0.14 2.37 -0.19 0.00 0.02 0.00 0.00 61.00 63.34 3khd s PRO 263 Cb -0.22 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.21 3khd s PRO 263 CO -0.06 -0.40 0.51 0.15 -0.33 0.00 0.00 177.00 176.87 3khd s LYS 264 N -1.22 4.31 -0.35 5.54 1.02 0.10 -1.76 119.74 127.39 3khd s LYS 264 Ca 0.55 0.49 -0.17 0.00 0.02 0.00 0.00 55.97 56.85 3khd s LYS 264 Cb -0.43 -3.47 -0.01 0.00 -0.52 0.00 0.00 37.83 33.40 3khd s LYS 264 CO 0.51 0.06 0.48 0.42 -0.92 0.00 0.00 175.35 175.91 3khd s ILE 265 N 0.93 5.05 0.00 2.17 1.01 -1.05 -3.62 121.20 125.69 3khd s ILE 265 Ca 0.27 0.28 0.00 0.00 0.00 0.00 0.00 60.65 61.20 3khd s ILE 265 Cb -0.15 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.38 3khd s ILE 265 CO 0.11 -0.19 0.26 -0.62 0.00 0.00 0.00 174.94 174.50 3khd n GLU 266 N 5.67 -0.49 -4.18 2.79 1.02 -1.26 -4.33 120.64 119.86 3khd n GLU 266 Ca -0.06 -0.26 -0.14 0.00 -0.02 0.00 0.00 57.16 56.68 3khd n GLU 266 Cb 0.49 -0.76 -0.08 0.00 -0.02 0.00 0.00 31.44 31.07 3khd n GLU 266 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3khd s ASN 267 N -0.01 0.72 0.06 1.62 4.22 -1.26 -4.44 114.94 115.85 3khd s ASN 267 Ca 0.00 -1.46 -0.22 0.00 -2.14 0.00 0.00 52.86 49.04 3khd s ASN 267 Cb 0.00 0.52 -0.13 0.00 1.28 0.00 0.00 41.25 42.91 3khd s ASN 267 CO 0.00 -1.04 1.55 0.40 -2.04 0.00 0.00 177.10 175.97 3khd h ILE 268 N 2.33 1.20 -0.95 0.54 2.04 -1.96 -3.15 117.51 117.55 3khd h ILE 268 Ca -0.30 -0.61 0.11 0.00 1.00 0.00 0.00 64.86 65.07 3khd h ILE 268 Cb 1.24 1.40 -0.07 0.00 -0.74 0.00 0.00 36.82 38.65 3khd h ILE 268 CO 0.43 0.18 0.61 -0.33 0.00 0.00 0.00 178.15 179.03 3khd h GLU 269 N -0.03 0.90 -0.90 2.37 5.08 -1.94 0.17 114.58 120.23 3khd h GLU 269 Ca 0.03 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.41 3khd h GLU 269 Cb 0.25 -0.20 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 3khd h GLU 269 CO 0.00 0.59 0.58 0.78 -1.00 0.00 0.00 179.01 179.97 3khd h GLY 270 N 0.92 1.30 2.00 -3.84 0.00 -1.70 -0.31 103.07 101.45 3khd h GLY 270 Ca 0.46 -0.40 -0.13 0.00 0.00 0.00 0.00 47.33 47.26 3khd h GLY 270 CO -0.22 0.28 -0.61 0.16 0.00 0.00 0.00 176.54 176.15 3khd h ILE 271 N 0.99 1.16 -0.14 2.60 -0.00 -0.75 -2.44 117.51 118.94 3khd h ILE 271 Ca 0.39 -2.32 -0.10 0.00 -0.00 0.00 0.00 64.86 62.84 3khd h ILE 271 Cb 0.24 2.36 0.00 0.00 -0.00 0.00 0.00 36.82 39.42 3khd h ILE 271 CO -0.15 0.60 -0.29 0.40 -0.00 0.00 0.00 178.15 178.70 3khd h ILE 272 N 0.00 1.36 -0.53 0.16 2.04 0.08 -3.27 117.51 117.36 3khd h ILE 272 Ca -0.01 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.30 3khd h ILE 272 Cb 1.31 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 39.40 3khd h ILE 272 CO 0.08 0.46 0.00 1.41 0.00 0.00 0.00 178.15 180.10 3khd n HIS 273 N -4.40 1.85 -0.28 1.37 8.25 -0.22 -4.69 115.22 117.09 3khd n HIS 273 Ca -0.07 -0.74 0.09 0.00 -0.26 0.00 0.00 57.72 56.74 3khd n HIS 273 Cb 0.47 -0.46 0.22 0.00 1.12 0.00 0.00 29.99 31.35 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 3.65 0.19 -0.74 4.41 3.57 -1.48 -0.03 116.94 126.51 3khd h PHE 274 Ca 0.00 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.60 3khd h PHE 274 Cb 1.85 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 40.58 3khd h PHE 274 CO 0.97 -0.20 0.45 -0.44 -2.23 0.00 0.00 178.31 176.86 3khd h ASP 275 N 0.18 0.72 0.08 0.41 3.32 -1.87 0.26 116.42 119.51 3khd h ASP 275 Ca 0.48 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.38 3khd h ASP 275 Cb 0.90 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 3khd h ASP 275 CO -0.64 0.48 -0.57 0.11 -1.72 0.00 0.00 179.24 176.90 3khd h LYS 276 N 0.85 0.51 -0.14 3.56 6.56 -1.44 -2.91 116.57 123.57 3khd h LYS 276 Ca 0.31 -0.33 -0.05 0.00 -1.06 0.00 0.00 60.65 59.52 3khd h LYS 276 Cb 0.09 0.04 -0.00 0.00 -0.57 0.00 0.00 32.23 31.79 3khd h LYS 276 CO -0.14 0.93 -0.12 0.82 -2.06 0.00 0.00 179.45 178.88 3khd h ILE 277 N 0.39 1.34 -0.63 1.86 2.04 -0.56 -3.25 117.51 118.71 3khd h ILE 277 Ca 0.00 -1.27 -0.02 0.00 1.00 0.00 0.00 64.86 64.57 3khd h ILE 277 Cb 1.10 1.88 -0.03 0.00 -0.74 0.00 0.00 36.82 39.03 3khd h ILE 277 CO 0.10 0.37 0.29 0.25 0.00 0.00 0.00 178.15 179.17 3khd h LEU 278 N -0.05 0.80 -1.08 1.44 5.85 -0.56 -2.00 115.31 119.71 3khd h LEU 278 Ca 0.02 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 3khd h LEU 278 Cb 0.64 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3khd h LEU 278 CO 0.03 0.69 -0.13 0.00 -0.34 0.00 0.00 178.44 178.69 3khd h ALA 279 N 1.43 1.24 0.00 1.25 0.00 -1.56 -3.06 119.26 118.56 3khd h ALA 279 Ca 0.22 -0.27 -0.27 0.00 0.00 0.00 0.00 54.91 54.59 3khd h ALA 279 Cb 0.11 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3khd h ALA 279 CO -0.03 0.50 -1.50 1.49 0.00 0.00 0.00 179.25 179.71 3khd h GLU 280 N 0.46 0.00 -7.51 0.00 4.57 -1.55 -3.48 114.58 107.07 3khd h GLU 280 Ca 0.08 0.00 -0.48 0.00 -1.18 0.00 0.00 59.36 57.78 3khd h GLU 280 Cb 0.50 0.00 0.08 0.00 -0.16 0.00 0.00 28.75 29.18 3khd h GLU 280 CO 0.03 0.62 0.40 -1.54 -1.18 0.00 0.00 179.01 177.35 3khd s SER 281 N -6.25 5.14 0.01 1.04 1.04 -0.77 -5.01 113.70 108.89 3khd s SER 281 Ca -0.03 0.99 0.01 0.00 0.48 0.00 0.00 55.95 57.41 3khd s SER 281 Cb 0.09 -1.69 -0.26 0.00 0.10 0.00 0.00 66.02 64.26 3khd s SER 281 CO 0.82 -1.52 0.86 0.44 0.98 0.00 0.00 173.24 174.83 3khd h ASP 282 N -0.77 0.25 -5.23 7.02 3.32 -1.63 -3.48 116.42 115.91 3khd h ASP 282 Ca -0.45 -0.37 0.07 0.00 0.02 0.00 0.00 57.03 56.30 3khd h ASP 282 Cb 1.28 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.74 3khd h ASP 282 CO 0.64 1.31 0.45 -0.83 -1.72 0.00 0.00 179.24 179.09 3khd s GLY 283 N -4.98 0.27 0.01 2.75 0.00 -1.18 -4.13 107.32 100.07 3khd s GLY 283 Ca -0.07 -0.58 0.04 0.00 0.00 0.00 0.00 44.72 44.11 3khd s GLY 283 CO 0.84 1.33 -0.13 -0.42 0.00 0.00 0.00 173.10 174.72 3khd s ILE 284 N -2.10 1.04 -0.16 0.90 1.09 -1.04 -3.51 121.20 117.43 3khd s ILE 284 Ca 0.20 -0.74 0.01 0.00 -1.10 0.00 0.00 60.65 59.02 3khd s ILE 284 Cb -0.04 -0.91 0.01 0.00 -1.06 0.00 0.00 42.46 40.46 3khd s ILE 284 CO 0.08 0.16 -0.18 -0.32 -0.10 0.00 0.00 174.94 174.58 3khd s MET 285 N -0.67 3.10 -0.10 2.79 -2.45 -0.72 -1.51 119.30 119.74 3khd s MET 285 Ca 0.03 -0.80 0.01 0.00 -1.25 0.00 0.00 55.69 53.68 3khd s MET 285 Cb -0.06 -2.56 -0.02 0.00 1.25 0.00 0.00 34.83 33.44 3khd s MET 285 CO 0.00 -0.06 -0.14 0.42 1.05 0.00 0.00 175.02 176.30 3khd s ILE 286 N 0.95 3.03 -0.07 10.11 1.01 -0.38 -2.52 121.20 133.32 3khd s ILE 286 Ca -0.03 -0.69 0.05 0.00 0.00 0.00 0.00 60.65 59.98 3khd s ILE 286 Cb -0.15 -2.24 -0.01 0.00 0.01 0.00 0.00 42.46 40.07 3khd s ILE 286 CO -0.04 0.55 -0.24 0.00 0.00 0.00 0.00 174.94 175.21 3khd s ALA 287 N 0.03 2.12 0.17 9.38 0.00 -1.26 0.10 121.76 132.30 3khd s ALA 287 Ca -0.05 -0.99 -0.07 0.00 0.00 0.00 0.00 51.96 50.85 3khd s ALA 287 Cb -0.14 -0.71 0.05 0.00 0.00 0.00 0.00 23.12 22.31 3khd s ALA 287 CO 0.04 0.36 1.51 -0.09 0.00 0.00 0.00 175.76 177.59 3khd h ARG 288 N 6.31 0.79 -0.75 0.00 2.43 -1.95 -2.79 114.38 118.43 3khd h ARG 288 Ca -0.27 -0.42 -0.01 0.00 -0.81 0.00 0.00 59.98 58.46 3khd h ARG 288 Cb 1.20 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.73 3khd h ARG 288 CO 0.47 1.05 0.42 0.78 -1.51 0.00 0.00 179.97 181.19 3khd h GLY 289 N 0.88 1.10 0.38 2.80 0.00 -1.96 -1.94 103.07 104.32 3khd h GLY 289 Ca 0.05 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 3khd h GLY 289 CO 0.09 0.46 -0.14 -0.55 0.00 0.00 0.00 176.54 176.40 3khd h ASP 290 N 1.04 -0.33 0.26 0.19 3.32 -1.89 -3.16 116.42 115.85 3khd h ASP 290 Ca 0.27 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 3khd h ASP 290 Cb 0.00 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3khd h ASP 290 CO -0.05 0.15 -0.17 -0.07 -1.72 0.00 0.00 179.24 177.39 3khd h LEU 291 N -1.02 0.00 -1.39 1.55 4.07 -1.56 -2.41 115.31 114.55 3khd h LEU 291 Ca -0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.92 3khd h LEU 291 Cb 0.45 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.19 3khd h LEU 291 CO 0.07 0.17 0.00 0.61 -1.08 0.00 0.00 178.44 178.20 3khd n GLY 292 N -0.86 0.77 0.13 0.83 0.00 -0.73 -3.43 105.19 101.90 3khd n GLY 292 Ca -0.02 -0.40 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 3khd n GLY 292 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3khd h MET 293 N 2.17 0.42 0.00 1.61 2.07 -1.39 -3.36 114.93 116.46 3khd h MET 293 Ca 0.00 -0.72 -0.23 0.00 -2.07 0.00 0.00 59.70 56.68 3khd h MET 293 Cb 0.51 0.27 -0.04 0.00 -1.87 0.00 0.00 31.60 30.47 3khd h MET 293 CO 0.00 1.34 -1.92 0.39 1.07 0.00 0.00 176.91 177.80 3khd n GLU 294 N -3.63 0.65 -1.83 1.72 -0.58 -1.26 -4.97 120.64 110.75 3khd n GLU 294 Ca -0.14 0.07 -0.32 0.00 -0.42 0.00 0.00 57.16 56.35 3khd n GLU 294 Cb 1.07 -1.65 0.03 0.00 -0.57 0.00 0.00 31.44 30.32 3khd n GLU 294 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 3khd s ILE 295 N -2.84 4.10 0.31 -3.67 -5.25 -1.22 -5.04 121.20 107.59 3khd s ILE 295 Ca -0.07 0.80 -0.28 0.00 -0.99 0.00 0.00 60.65 60.12 3khd s ILE 295 Cb 0.09 -3.48 -0.09 0.00 2.95 0.00 0.00 42.46 41.92 3khd s ILE 295 CO 0.84 -0.77 1.08 -0.55 -1.79 0.00 0.00 174.94 173.74 3khd s SER 296 N -3.47 7.15 0.26 4.36 0.15 -1.26 -4.88 113.70 116.00 3khd s SER 296 Ca 0.59 2.19 -0.08 0.00 0.70 0.00 0.00 55.95 59.36 3khd s SER 296 Cb -0.14 -2.61 0.44 0.00 -1.71 0.00 0.00 66.02 62.00 3khd s SER 296 CO 0.47 -0.22 1.59 -0.65 1.20 0.00 0.00 173.24 175.63 3khd h PRO 297 N 3.47 0.02 0.00 5.44 0.11 -1.96 0.19 132.00 139.26 3khd h PRO 297 Ca -0.47 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 3khd h PRO 297 Cb 1.21 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3khd h PRO 297 CO 0.66 0.01 -0.00 0.93 -0.21 0.00 0.00 178.00 179.39 3khd h GLU 298 N 0.02 0.00 0.00 1.05 3.07 -2.01 -3.11 114.58 113.61 3khd h GLU 298 Ca 0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.30 3khd h GLU 298 Cb 0.74 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.65 3khd h GLU 298 CO -0.84 0.00 -0.78 1.63 -1.40 0.00 0.00 179.01 177.62 3khd n LYS 299 N -3.10 0.20 -0.32 2.33 4.01 0.65 -4.57 118.16 117.36 3khd n LYS 299 Ca -0.01 0.02 0.03 0.00 -0.51 0.00 0.00 58.31 57.84 3khd n LYS 299 Cb 0.18 -1.59 0.22 0.00 -0.51 0.00 0.00 35.03 33.34 3khd n LYS 299 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 3khd h VAL 300 N 0.00 1.08 0.00 -0.18 2.07 -1.53 -1.94 116.25 115.75 3khd h VAL 300 Ca 0.00 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 3khd h VAL 300 Cb 0.66 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3khd h VAL 300 CO 0.00 0.20 -0.24 2.19 0.02 0.00 0.00 177.57 179.74 3khd h PHE 301 N 1.07 0.00 -0.54 1.57 -0.00 -1.85 -3.21 116.94 113.97 3khd h PHE 301 Ca 0.39 0.00 -0.03 0.00 -0.00 0.00 0.00 57.97 58.33 3khd h PHE 301 Cb 0.17 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 36.10 3khd h PHE 301 CO -0.00 0.24 0.23 -0.07 -0.00 0.00 0.00 178.31 178.70 3khd h LEU 302 N 0.00 0.74 -1.39 2.10 4.07 -1.67 -3.03 115.31 116.13 3khd h LEU 302 Ca -0.00 -0.16 -0.02 0.00 0.08 0.00 0.00 57.88 57.78 3khd h LEU 302 Cb 0.44 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.97 3khd h LEU 302 CO 0.03 0.70 0.16 0.00 -1.08 0.00 0.00 178.44 178.25 3khd h ALA 303 N 1.07 1.53 -0.26 1.53 0.00 -1.67 -0.42 119.26 121.04 3khd h ALA 303 Ca 0.18 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3khd h ALA 303 Cb 0.18 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3khd h ALA 303 CO -0.02 0.37 0.05 0.37 0.00 0.00 0.00 179.25 180.02 3khd h GLN 304 N 0.57 0.42 -0.07 0.00 4.15 -1.67 -2.83 115.11 115.68 3khd h GLN 304 Ca 0.14 -0.11 -0.18 0.00 0.77 0.00 0.00 58.65 59.27 3khd h GLN 304 Cb 0.12 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 3khd h GLN 304 CO -0.01 0.53 -0.74 0.87 -1.93 0.00 0.00 178.83 177.54 3khd h LYS 305 N 0.24 0.37 0.52 1.69 1.57 -1.38 -2.66 116.57 116.93 3khd h LYS 305 Ca 0.08 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 3khd h LYS 305 Cb 0.31 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3khd h LYS 305 CO 0.00 0.96 -0.38 1.25 -0.57 0.00 0.00 179.45 180.72 3khd h LEU 306 N 0.25 -0.97 -0.45 2.94 6.46 -1.11 -2.97 115.31 119.45 3khd h LEU 306 Ca -0.03 0.07 -0.17 0.00 -0.12 0.00 0.00 57.88 57.62 3khd h LEU 306 Cb 1.32 0.30 -0.00 0.00 -0.73 0.00 0.00 40.66 41.54 3khd h LEU 306 CO 0.13 -0.56 -0.65 0.24 -0.62 0.00 0.00 178.44 176.97 3khd h MET 307 N -0.87 0.48 -0.33 1.25 2.86 -1.54 -2.30 114.93 114.48 3khd h MET 307 Ca -0.06 -0.35 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 3khd h MET 307 Cb 0.73 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.43 3khd h MET 307 CO 0.02 0.97 0.21 0.82 1.06 0.00 0.00 176.91 179.99 3khd h ILE 308 N 0.34 1.09 -0.39 -1.22 2.04 -1.55 -0.66 117.51 117.16 3khd h ILE 308 Ca -0.02 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 3khd h ILE 308 Cb 1.21 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 3khd h ILE 308 CO 0.12 0.09 0.14 0.28 0.00 0.00 0.00 178.15 178.77 3khd h SER 309 N 0.44 0.56 -0.39 1.72 0.02 -1.46 -0.59 113.55 113.84 3khd h SER 309 Ca 0.12 -0.19 0.07 0.00 -0.84 0.00 0.00 61.79 60.95 3khd h SER 309 Cb -0.04 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.29 3khd h SER 309 CO -0.03 0.59 0.02 0.11 -1.14 0.00 0.00 176.83 176.39 3khd h LYS 310 N 0.49 0.13 0.26 3.45 1.79 -1.22 0.37 116.57 121.84 3khd h LYS 310 Ca 0.13 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.59 3khd h LYS 310 Cb 0.22 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.84 3khd h LYS 310 CO -0.01 0.08 -0.18 0.00 -1.08 0.00 0.00 179.45 178.27 3khd h ASN 312 N -0.43 0.05 0.75 0.00 4.21 -0.67 0.38 115.58 119.86 3khd h ASN 312 Ca -0.02 0.15 0.00 0.00 1.21 0.00 0.00 56.30 57.64 3khd h ASN 312 Cb 0.37 0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.77 3khd h ASN 312 CO 0.01 -0.05 0.00 0.18 -1.29 0.00 0.00 177.43 176.29 3khd n LEU 313 N -5.15 0.32 -0.00 1.61 4.77 0.08 -2.89 117.00 115.74 3khd n LEU 313 Ca 0.16 0.57 0.06 0.00 -0.03 0.00 0.00 56.01 56.76 3khd n LEU 313 Cb 0.51 -0.51 -0.08 0.00 -2.33 0.00 0.00 43.42 41.00 3khd n LEU 313 CO 0.12 -0.32 -0.44 1.67 -1.33 0.00 0.00 177.39 177.09 3khd n GLN 314 N -1.84 1.30 -0.82 3.23 -0.06 0.32 -4.85 117.38 114.65 3khd n GLN 314 Ca 0.04 -0.07 0.00 0.00 -2.00 0.00 0.00 57.00 54.96 3khd n GLN 314 Cb 0.24 -1.21 0.00 0.00 -4.06 0.00 0.00 30.24 25.21 3khd n GLN 314 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3khd n GLY 315 N 1.64 0.82 3.72 1.69 0.00 0.11 -5.03 105.19 108.13 3khd n GLY 315 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.18 4.63 0.61 1.61 -0.14 -1.01 -4.84 119.74 120.41 3khd s LYS 316 Ca 0.00 1.50 -0.17 0.00 -1.36 0.00 0.00 55.97 55.93 3khd s LYS 316 Cb 0.00 -3.39 -0.02 0.00 -1.68 0.00 0.00 37.83 32.74 3khd s LYS 316 CO 0.00 0.09 1.14 -1.25 -0.76 0.00 0.00 175.35 174.57 3khd s PRO 317 N 0.34 2.97 -0.04 -1.68 0.04 -1.26 -4.27 135.00 131.09 3khd s PRO 317 Ca 0.50 1.57 0.00 0.00 0.04 0.00 0.00 61.00 63.11 3khd s PRO 317 Cb -0.24 -1.96 0.03 0.00 0.04 0.00 0.00 34.50 32.37 3khd s PRO 317 CO 0.30 -1.15 -0.01 -1.50 0.04 0.00 0.00 177.00 174.68 3khd s ILE 318 N -1.98 0.33 -0.23 0.56 2.07 -1.26 -2.48 121.20 118.20 3khd s ILE 318 Ca 0.71 0.03 -0.09 0.00 -1.41 0.00 0.00 60.65 59.89 3khd s ILE 318 Cb -0.24 -0.42 -0.04 0.00 0.13 0.00 0.00 42.46 41.88 3khd s ILE 318 CO 0.35 0.20 0.13 -0.63 -1.91 0.00 0.00 174.94 173.07 3khd s ILE 319 N 1.22 5.07 -0.46 2.00 1.01 -0.57 -1.80 121.20 127.67 3khd s ILE 319 Ca -0.07 0.08 -0.22 0.00 0.00 0.00 0.00 60.65 60.44 3khd s ILE 319 Cb -0.13 -3.35 0.03 0.00 0.01 0.00 0.00 42.46 39.01 3khd s ILE 319 CO -0.02 0.36 0.71 -0.89 0.00 0.00 0.00 174.94 175.11 3khd s THR 320 N 1.03 4.73 -0.97 2.92 2.01 -0.38 -1.25 115.64 123.73 3khd s THR 320 Ca 0.06 0.14 0.25 0.00 0.31 0.00 0.00 61.69 62.46 3khd s THR 320 Cb -0.14 -4.29 0.04 0.00 0.01 0.00 0.00 72.50 68.12 3khd s THR 320 CO 0.04 -0.72 1.47 0.00 -0.69 0.00 0.00 174.62 174.73 3khd n ALA 321 N 6.51 3.35 -1.70 7.40 0.00 0.12 -2.44 120.51 133.74 3khd n ALA 321 Ca -0.01 -0.31 -0.54 0.00 0.00 0.00 0.00 53.44 52.58 3khd n ALA 321 Cb 0.48 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.69 3khd n ALA 321 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3khd n THR 322 N -1.54 0.42 -1.87 0.00 -1.04 -1.22 -4.73 114.28 104.29 3khd n THR 322 Ca 0.06 -0.07 -0.43 0.00 -2.04 0.00 0.00 64.05 61.56 3khd n THR 322 Cb 0.34 -1.48 -0.03 0.00 -1.82 0.00 0.00 70.33 67.35 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 3.77 3.73 0.00 -2.82 0.74 -1.26 -4.69 119.66 119.14 3khd s GLN 323 Ca 0.96 2.02 0.00 0.00 0.05 0.00 0.00 55.36 58.39 3khd s GLN 323 Cb -0.92 -4.15 0.00 0.00 1.10 0.00 0.00 33.01 29.03 3khd s GLN 323 CO 0.60 -1.39 0.35 -1.33 -0.55 0.00 0.00 175.29 172.97 3khd n MET 324 N 7.88 0.15 -1.61 1.67 2.81 -1.26 -4.69 117.12 122.07 3khd n MET 324 Ca 0.22 -0.35 -0.01 0.00 -1.81 0.00 0.00 57.70 55.75 3khd n MET 324 Cb 0.44 -0.83 0.08 0.00 -0.71 0.00 0.00 33.22 32.20 3khd n MET 324 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3khd n LEU 325 N -0.12 2.27 0.32 4.03 4.77 -1.26 -4.66 117.00 122.35 3khd n LEU 325 Ca 0.00 -3.22 0.20 0.00 -0.03 0.00 0.00 56.01 52.96 3khd n LEU 325 Cb 0.04 -0.11 1.08 0.00 -2.33 0.00 0.00 43.42 42.10 3khd n LEU 325 CO 0.00 1.14 1.15 1.05 -1.33 0.00 0.00 177.39 179.40 3khd h GLU 326 N 1.53 0.00 0.00 3.23 -0.00 -1.99 -0.06 114.58 117.29 3khd h GLU 326 Ca -0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.29 3khd h GLU 326 Cb 1.45 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 30.20 3khd h GLU 326 CO 0.20 0.01 -0.12 1.03 -0.00 0.00 0.00 179.01 180.13 3khd h SER 327 N 0.00 0.00 0.04 3.06 0.87 -1.94 -2.51 113.55 113.07 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 0.05 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 3khd h SER 327 CO 0.00 0.12 0.00 0.23 -0.53 0.00 0.00 176.83 176.65 3khd n MET 328 N -3.94 0.62 -0.22 2.24 2.81 -0.04 -2.16 117.12 116.43 3khd n MET 328 Ca -0.02 0.01 -0.04 0.00 -1.81 0.00 0.00 57.70 55.84 3khd n MET 328 Cb 0.21 -1.50 0.14 0.00 -0.71 0.00 0.00 33.22 31.36 3khd n MET 328 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3khd h THR 329 N 0.00 1.24 0.00 2.03 2.02 -1.63 -3.34 112.91 113.23 3khd h THR 329 Ca 0.00 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.42 3khd h THR 329 Cb 0.02 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 3khd h THR 329 CO 0.00 0.30 -0.71 0.29 0.37 0.00 0.00 175.52 175.77 3khd n LYS 330 N -4.29 2.47 -4.94 6.66 5.02 -1.08 -0.19 118.16 121.81 3khd n LYS 330 Ca 0.06 -0.01 -0.28 0.00 -2.02 0.00 0.00 58.31 56.06 3khd n LYS 330 Cb 0.18 -0.88 -0.15 0.00 -0.02 0.00 0.00 35.03 34.16 3khd n LYS 330 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3khd s ASN 331 N -1.84 2.77 0.09 4.39 0.01 -0.92 -4.96 114.94 114.48 3khd s ASN 331 Ca -0.00 -0.49 0.22 0.00 -0.71 0.00 0.00 52.86 51.87 3khd s ASN 331 Cb 0.01 -0.27 0.87 0.00 0.41 0.00 0.00 41.25 42.28 3khd s ASN 331 CO 0.09 0.24 1.67 -2.65 -1.51 0.00 0.00 177.10 174.94 3khd n PRO 332 N 2.13 0.09 -4.62 -0.60 -0.02 -1.26 -4.20 135.00 126.51 3khd n PRO 332 Ca -0.16 0.24 -0.23 0.00 -2.02 0.00 0.00 63.50 61.32 3khd n PRO 332 Cb 0.52 -1.64 -0.14 0.00 -0.02 0.00 0.00 33.50 32.22 3khd n PRO 332 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3khd s ARG 333 N -3.09 1.25 0.71 -0.52 0.52 -1.26 -4.89 118.95 111.66 3khd s ARG 333 Ca 0.08 -0.75 -0.11 0.00 -0.52 0.00 0.00 55.73 54.44 3khd s ARG 333 Cb 0.12 -1.27 0.02 0.00 0.52 0.00 0.00 34.95 34.34 3khd s ARG 333 CO 0.40 0.33 1.09 -1.25 0.02 0.00 0.00 175.30 175.89 3khd s PRO 334 N -0.84 2.76 0.53 3.54 0.04 -1.26 -4.65 135.00 135.12 3khd s PRO 334 Ca 0.05 0.37 -0.19 0.00 0.04 0.00 0.00 61.00 61.27 3khd s PRO 334 Cb -0.08 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 3khd s PRO 334 CO 0.01 -1.06 1.07 0.95 0.04 0.00 0.00 177.00 178.00 3khd s THR 335 N -3.35 3.63 0.45 1.26 -4.23 -1.26 -4.94 115.64 107.21 3khd s THR 335 Ca 0.58 0.95 0.13 0.00 -1.18 0.00 0.00 61.69 62.18 3khd s THR 335 Cb -0.11 -3.38 0.30 0.00 1.34 0.00 0.00 72.50 70.65 3khd s THR 335 CO 0.51 -0.28 2.04 0.08 -0.54 0.00 0.00 174.62 176.42 3khd h ARG 336 N 1.18 0.32 -0.43 3.99 -0.00 -2.00 -2.05 114.38 115.38 3khd h ARG 336 Ca -0.49 -0.02 -0.02 0.00 -0.00 0.00 0.00 59.98 59.46 3khd h ARG 336 Cb 1.23 -0.07 -0.02 0.00 -0.00 0.00 0.00 29.97 31.11 3khd h ARG 336 CO 0.58 0.21 0.21 0.00 -0.00 0.00 0.00 179.97 180.97 3khd h ALA 337 N 1.78 0.55 -0.23 0.08 0.00 -2.00 -2.86 119.26 116.58 3khd h ALA 337 Ca 0.18 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3khd h ALA 337 Cb 0.30 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3khd h ALA 337 CO -0.04 0.11 -0.09 0.93 0.00 0.00 0.00 179.25 180.16 3khd h GLU 338 N 0.55 0.36 0.18 0.00 5.08 -1.65 -2.94 114.58 116.16 3khd h GLU 338 Ca 0.15 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3khd h GLU 338 Cb 0.12 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3khd h GLU 338 CO -0.02 0.46 -0.08 0.28 -1.00 0.00 0.00 179.01 178.65 3khd h VAL 339 N 0.34 0.83 0.00 3.13 2.07 -1.26 -2.70 116.25 118.66 3khd h VAL 339 Ca 0.07 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 3khd h VAL 339 Cb 0.38 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3khd h VAL 339 CO 0.02 0.01 -0.17 0.71 0.02 0.00 0.00 177.57 178.16 3khd h THR 340 N -0.25 0.54 0.01 2.57 1.35 -1.47 -1.07 112.91 114.60 3khd h THR 340 Ca -0.02 -0.82 -0.00 0.00 -0.55 0.00 0.00 66.41 65.01 3khd h THR 340 Cb 0.19 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 3khd h THR 340 CO 0.04 0.17 -0.01 -0.78 -0.25 0.00 0.00 175.52 174.69 3khd h ASP 341 N 0.00 -0.01 -0.58 5.36 3.58 -1.33 0.14 116.42 123.58 3khd h ASP 341 Ca -0.00 -0.27 -0.09 0.00 0.42 0.00 0.00 57.03 57.09 3khd h ASP 341 Cb 0.54 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.57 3khd h ASP 341 CO 0.02 0.27 0.03 1.62 -2.88 0.00 0.00 179.24 178.30 3khd h VAL 342 N -0.30 1.26 -0.66 2.25 3.04 -1.30 -2.25 116.25 118.29 3khd h VAL 342 Ca -0.00 -1.10 0.08 0.00 -1.01 0.00 0.00 66.70 64.67 3khd h VAL 342 Cb 0.29 0.77 -0.07 0.00 -2.01 0.00 0.00 31.29 30.27 3khd h VAL 342 CO 0.00 0.40 0.32 0.00 -1.01 0.00 0.00 177.57 177.29 3khd h ALA 343 N 1.08 0.90 -0.00 3.17 0.00 -1.04 -1.67 119.26 121.69 3khd h ALA 343 Ca 0.18 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 3khd h ALA 343 Cb 0.51 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3khd h ALA 343 CO 0.02 -0.06 -0.61 -0.91 0.00 0.00 0.00 179.25 177.69 3khd h ASN 344 N 0.57 0.01 -0.27 0.00 2.35 -0.63 -2.18 115.58 115.44 3khd h ASN 344 Ca 0.32 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 56.05 3khd h ASN 344 Cb 0.31 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 3khd h ASN 344 CO -0.25 0.62 0.10 0.00 -1.65 0.00 0.00 177.43 176.25 3khd h ALA 345 N 1.38 0.34 -0.96 -0.83 0.00 -0.81 0.45 119.26 118.83 3khd h ALA 345 Ca -0.01 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.82 3khd h ALA 345 Cb 1.08 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 3khd h ALA 345 CO 0.08 -0.06 0.63 0.28 0.00 0.00 0.00 179.25 180.19 3khd h VAL 346 N 0.28 1.16 0.00 0.00 2.07 -1.26 -2.47 116.25 116.03 3khd h VAL 346 Ca 0.09 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.19 3khd h VAL 346 Cb 0.19 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.80 3khd h VAL 346 CO -0.01 0.22 -0.06 -0.07 0.02 0.00 0.00 177.57 177.67 3khd h LEU 347 N 1.21 0.00 -1.21 2.57 3.38 -1.00 -2.93 115.31 117.33 3khd h LEU 347 Ca 0.38 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.27 3khd h LEU 347 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3khd h LEU 347 CO -0.12 0.00 -0.36 0.44 0.09 0.00 0.00 178.44 178.49 3khd h ASP 348 N 0.00 0.06 0.00 -0.43 3.32 0.36 -3.47 116.42 116.25 3khd h ASP 348 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3khd h ASP 348 Cb 0.96 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.50 3khd h ASP 348 CO 0.00 0.42 0.00 0.61 -1.72 0.00 0.00 179.24 178.55 3khd n GLY 349 N -0.44 2.00 3.77 2.75 0.00 -1.10 -4.69 105.19 107.47 3khd n GLY 349 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3khd n GLY 349 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3khd s THR 350 N -2.00 3.38 0.05 2.61 -1.32 -1.11 -4.89 115.64 112.35 3khd s THR 350 Ca 0.00 1.23 -0.15 0.00 -1.21 0.00 0.00 61.69 61.57 3khd s THR 350 Cb 0.00 -3.72 -0.32 0.00 -1.51 0.00 0.00 72.50 66.95 3khd s THR 350 CO 0.00 0.18 1.06 0.44 -2.21 0.00 0.00 174.62 174.09 3khd h ASP 351 N 3.10 0.84 -4.77 8.08 3.32 -1.65 -3.46 116.42 121.88 3khd h ASP 351 Ca -0.48 -0.84 -0.26 0.00 0.02 0.00 0.00 57.03 55.48 3khd h ASP 351 Cb 1.22 -0.27 -0.20 0.00 0.22 0.00 0.00 39.33 40.30 3khd h ASP 351 CO 0.64 1.64 -0.72 0.00 -1.72 0.00 0.00 179.24 179.08 3khd s VAL 353 N -1.78 2.57 -0.02 0.00 -7.23 -0.67 -1.25 120.40 112.02 3khd s VAL 353 Ca -0.07 -2.11 0.04 0.00 -1.81 0.00 0.00 61.98 58.03 3khd s VAL 353 Cb -0.07 -2.29 -0.01 0.00 0.56 0.00 0.00 36.38 34.57 3khd s VAL 353 CO -0.01 -0.23 -0.13 -0.32 -0.31 0.00 0.00 175.10 174.10 3khd s MET 354 N -3.05 1.19 -0.18 4.82 1.75 -1.02 0.40 119.30 123.21 3khd s MET 354 Ca 0.25 -0.47 -0.06 0.00 -1.25 0.00 0.00 55.69 54.16 3khd s MET 354 Cb -0.07 -1.12 -0.03 0.00 2.84 0.00 0.00 34.83 36.45 3khd s MET 354 CO 0.13 0.25 0.02 -0.51 -0.65 0.00 0.00 175.02 174.26 3khd s LEU 355 N -0.15 3.54 0.00 4.11 1.43 -0.07 -4.60 118.68 122.94 3khd s LEU 355 Ca 0.02 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 3khd s LEU 355 Cb -0.07 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.26 3khd s LEU 355 CO 0.00 0.15 0.00 -1.20 0.23 0.00 0.00 176.35 175.53 3khd n SER 356 N 3.70 0.00 0.23 2.29 7.64 -1.26 -1.82 113.62 124.40 3khd n SER 356 Ca -0.17 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.83 3khd n SER 356 Cb 0.52 0.00 0.41 0.00 -1.01 0.00 0.00 64.21 64.13 3khd n SER 356 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3khd h GLY 357 N 0.00 0.00 1.07 0.23 0.00 -1.97 -2.72 103.07 99.69 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 0.53 0.83 0.00 0.00 0.00 176.54 177.90 3khd h GLU 358 N 0.00 1.23 0.01 4.80 3.07 -1.90 -2.52 114.58 119.27 3khd h GLU 358 Ca -0.00 -0.12 -0.36 0.00 -0.50 0.00 0.00 59.36 58.38 3khd h GLU 358 Cb 0.81 -0.25 -0.06 0.00 -0.84 0.00 0.00 28.75 28.41 3khd h GLU 358 CO 0.02 0.87 -2.24 0.25 -1.40 0.00 0.00 179.01 176.50 3khd n THR 359 N -4.35 1.50 0.54 1.13 -2.24 -1.23 -3.74 114.28 105.89 3khd n THR 359 Ca 0.10 -0.75 0.12 0.00 -2.27 0.00 0.00 64.05 61.25 3khd n THR 359 Cb 0.07 -0.95 0.45 0.00 -2.10 0.00 0.00 70.33 67.80 3khd n THR 359 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3khd n ALA 360 N -2.87 1.94 0.00 6.98 0.00 -1.03 -3.73 120.51 121.80 3khd n ALA 360 Ca -0.33 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3khd n ALA 360 Cb 1.08 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 19.13 3khd n ALA 360 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3khd n GLY 362 N 0.59 2.39 0.15 0.00 0.00 -0.95 -1.76 105.19 105.60 3khd n GLY 362 Ca 0.04 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.20 3khd n GLY 362 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3khd h LYS 363 N 0.00 0.00 -2.72 1.61 1.57 -0.82 -3.38 116.57 112.82 3khd h LYS 363 Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 3khd h LYS 363 Cb 0.00 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 31.90 3khd h LYS 363 CO 0.00 0.57 -0.72 1.19 -0.57 0.00 0.00 179.45 179.91 3khd n PHE 364 N -3.70 1.85 0.12 -1.35 0.99 -1.25 -4.95 117.46 109.17 3khd n PHE 364 Ca -0.01 -3.96 -0.24 0.00 -0.00 0.00 0.00 57.45 53.25 3khd n PHE 364 Cb 0.60 -0.34 -0.15 0.00 -1.00 0.00 0.00 39.48 38.59 3khd n PHE 364 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 3khd h PRO 365 N 5.26 0.54 -0.17 -1.08 0.13 -1.75 -3.10 132.00 131.83 3khd h PRO 365 Ca 0.19 -0.86 -0.03 0.00 -0.87 0.00 0.00 66.00 64.42 3khd h PRO 365 Cb 0.80 0.31 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 3khd h PRO 365 CO 0.61 1.41 -0.02 0.28 -0.23 0.00 0.00 178.00 180.05 3khd h VAL 366 N 0.12 1.27 0.00 1.56 2.07 -1.92 -2.87 116.25 116.48 3khd h VAL 366 Ca -0.23 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.34 3khd h VAL 366 Cb 2.05 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 33.37 3khd h VAL 366 CO 0.25 0.28 0.00 1.05 0.02 0.00 0.00 177.57 179.18 3khd h GLU 367 N 0.04 0.00 0.01 1.57 9.09 -1.95 -1.92 114.58 121.42 3khd h GLU 367 Ca 0.05 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.21 3khd h GLU 367 Cb 0.44 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.55 3khd h GLU 367 CO 0.01 0.00 -1.00 0.00 0.05 0.00 0.00 179.01 178.07 3khd h ALA 368 N 2.22 0.25 -0.08 1.06 0.00 -1.44 -2.47 119.26 118.79 3khd h ALA 368 Ca 0.00 -0.71 -0.21 0.00 0.00 0.00 0.00 54.91 53.99 3khd h ALA 368 Cb 0.50 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.32 3khd h ALA 368 CO 0.00 0.76 -0.77 0.28 0.00 0.00 0.00 179.25 179.52 3khd h VAL 369 N 0.30 1.32 -0.26 0.00 2.07 -1.29 -2.17 116.25 116.21 3khd h VAL 369 Ca -0.11 -2.03 0.05 0.00 0.82 0.00 0.00 66.70 65.43 3khd h VAL 369 Cb 1.65 2.22 -0.04 0.00 -1.52 0.00 0.00 31.29 33.60 3khd h VAL 369 CO 0.18 0.62 -0.01 0.74 0.02 0.00 0.00 177.57 179.13 3khd h THR 370 N 0.32 0.80 -0.54 2.57 2.02 -1.43 0.62 112.91 117.28 3khd h THR 370 Ca -0.07 -0.02 -0.06 0.00 0.77 0.00 0.00 66.41 67.02 3khd h THR 370 Cb 1.42 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 3khd h THR 370 CO 0.16 0.01 0.09 0.40 0.37 0.00 0.00 175.52 176.55 3khd h ILE 371 N 0.07 1.25 -0.83 3.11 5.03 -1.51 -1.72 117.51 122.91 3khd h ILE 371 Ca 0.13 -0.95 0.07 0.00 -0.12 0.00 0.00 64.86 63.99 3khd h ILE 371 Cb 0.17 0.82 -0.06 0.00 -3.03 0.00 0.00 36.82 34.72 3khd h ILE 371 CO -0.22 0.34 0.49 -0.03 -0.68 0.00 0.00 178.15 178.06 3khd h MET 372 N 0.78 0.85 -0.26 2.37 4.05 -0.89 -1.05 114.93 120.78 3khd h MET 372 Ca 0.16 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.50 3khd h MET 372 Cb 0.40 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 3khd h MET 372 CO 0.01 0.56 0.02 0.77 0.23 0.00 0.00 176.91 178.51 3khd h SER 373 N 0.88 0.43 -0.59 1.39 0.02 -0.68 -2.83 113.55 112.15 3khd h SER 373 Ca 0.38 -0.28 -0.06 0.00 -0.84 0.00 0.00 61.79 60.98 3khd h SER 373 Cb 0.24 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 3khd h SER 373 CO -0.20 0.60 0.14 0.11 -1.14 0.00 0.00 176.83 176.34 3khd h LYS 374 N 0.24 0.99 -0.48 3.45 1.57 -0.80 -1.83 116.57 119.71 3khd h LYS 374 Ca 0.08 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 3khd h LYS 374 Cb 0.37 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3khd h LYS 374 CO 0.01 0.88 0.23 0.82 -0.57 0.00 0.00 179.45 180.82 3khd h ILE 375 N 0.94 1.19 -0.32 1.86 2.04 -1.24 -1.61 117.51 120.37 3khd h ILE 375 Ca 0.20 -0.54 0.03 0.00 1.00 0.00 0.00 64.86 65.55 3khd h ILE 375 Cb 0.35 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3khd h ILE 375 CO 0.00 0.21 0.12 0.00 0.00 0.00 0.00 178.15 178.49 3khd h LEU 377 N 0.27 0.87 -0.45 0.00 3.38 -1.24 0.71 115.31 118.84 3khd h LEU 377 Ca 0.14 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.90 3khd h LEU 377 Cb 0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3khd h LEU 377 CO -0.14 0.66 -0.67 -0.08 0.09 0.00 0.00 178.44 178.30 3khd h GLU 378 N 1.01 0.43 0.07 1.13 4.57 -0.39 -2.71 114.58 118.69 3khd h GLU 378 Ca 0.27 -0.33 -0.25 0.00 -1.18 0.00 0.00 59.36 57.87 3khd h GLU 378 Cb -0.06 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3khd h GLU 378 CO -0.05 0.95 -1.09 0.00 -1.18 0.00 0.00 179.01 177.64 3khd h ALA 379 N 0.96 0.24 0.00 2.92 0.00 -0.46 -3.29 119.26 119.63 3khd h ALA 379 Ca -0.02 -0.80 -0.03 0.00 0.00 0.00 0.00 54.91 54.06 3khd h ALA 379 Cb 1.23 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3khd h ALA 379 CO 0.12 0.90 -0.16 0.93 0.00 0.00 0.00 179.25 181.03 3khd h GLU 380 N 0.14 0.00 0.00 0.00 5.08 -0.82 -2.01 114.58 116.98 3khd h GLU 380 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3khd h GLU 380 Cb 1.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.03 3khd h GLU 380 CO 0.18 0.16 0.00 0.00 -1.00 0.00 0.00 179.01 178.35 3khd n ALA 381 N -2.43 1.85 0.09 3.43 0.00 -1.03 -3.07 120.51 119.35 3khd n ALA 381 Ca -0.02 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.46 3khd n ALA 381 Cb 0.24 -1.28 -0.15 0.00 0.00 0.00 0.00 19.45 18.26 3khd n ALA 381 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3khd s ILE 383 N -3.46 2.47 -0.91 0.00 1.01 -1.17 -4.59 121.20 114.53 3khd s ILE 383 Ca -0.06 0.16 -0.21 0.00 0.00 0.00 0.00 60.65 60.54 3khd s ILE 383 Cb 0.14 -3.10 0.10 0.00 0.01 0.00 0.00 42.46 39.60 3khd s ILE 383 CO 0.90 0.01 1.20 -0.62 0.00 0.00 0.00 174.94 176.42 3khd s ASP 384 N 1.98 6.52 0.21 3.58 -1.08 -1.26 -4.91 116.67 121.71 3khd s ASP 384 Ca 0.76 -1.69 -0.10 0.00 -0.52 0.00 0.00 52.55 51.01 3khd s ASP 384 Cb -0.46 -2.45 0.15 0.00 -1.46 0.00 0.00 42.92 38.70 3khd s ASP 384 CO 0.34 -1.26 1.84 1.88 0.52 0.00 0.00 175.17 178.48 3khd h TYR 385 N 9.24 1.02 -0.76 -5.34 -1.99 -1.94 -1.43 116.97 115.76 3khd h TYR 385 Ca 0.10 -0.01 0.06 0.00 2.00 0.00 0.00 58.73 60.87 3khd h TYR 385 Cb 1.03 -0.33 -0.06 0.00 2.00 0.00 0.00 36.73 39.37 3khd h TYR 385 CO 1.17 0.70 0.45 0.87 -0.00 0.00 0.00 178.16 181.35 3khd h LYS 386 N 1.04 0.81 -0.57 4.88 1.57 -1.94 -0.76 116.57 121.60 3khd h LYS 386 Ca 0.27 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.95 3khd h LYS 386 Cb -0.01 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 3khd h LYS 386 CO -0.05 0.53 0.17 1.25 -0.57 0.00 0.00 179.45 180.78 3khd h LEU 387 N 0.83 0.84 -0.23 2.94 5.85 -1.85 -2.48 115.31 121.21 3khd h LEU 387 Ca 0.33 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3khd h LEU 387 Cb 0.17 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3khd h LEU 387 CO -0.17 0.83 0.13 0.25 -0.34 0.00 0.00 178.44 179.14 3khd h LEU 388 N 0.81 0.29 -0.18 2.25 6.46 -0.45 0.71 115.31 125.20 3khd h LEU 388 Ca 0.18 -0.08 0.01 0.00 -0.12 0.00 0.00 57.88 57.87 3khd h LEU 388 Cb 0.30 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.15 3khd h LEU 388 CO -0.00 0.29 0.10 0.22 -0.62 0.00 0.00 178.44 178.42 3khd h TYR 389 N 0.27 0.19 -0.59 1.25 3.20 -1.18 -1.44 116.97 118.67 3khd h TYR 389 Ca 0.08 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.97 3khd h TYR 389 Cb 0.06 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 3khd h TYR 389 CO -0.04 0.11 0.39 0.37 -1.64 0.00 0.00 178.16 177.36 3khd h GLN 390 N 0.21 0.77 -0.84 1.82 5.75 -1.15 -1.14 115.11 120.53 3khd h GLN 390 Ca 0.07 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.49 3khd h GLN 390 Cb -0.00 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 28.33 3khd h GLN 390 CO -0.03 0.51 0.41 0.77 -2.65 0.00 0.00 178.83 177.83 3khd h SER 391 N 0.79 1.10 0.87 -0.69 0.02 -0.72 -2.18 113.55 112.74 3khd h SER 391 Ca 0.22 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 3khd h SER 391 Cb -0.08 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 62.19 3khd h SER 391 CO -0.05 0.92 -0.42 -0.07 -1.14 0.00 0.00 176.83 176.07 3khd h LEU 392 N 1.20 -0.99 -0.70 5.07 4.07 -0.82 -3.07 115.31 120.06 3khd h LEU 392 Ca 0.29 0.03 0.10 0.00 0.08 0.00 0.00 57.88 58.37 3khd h LEU 392 Cb 0.12 0.26 -0.07 0.00 1.08 0.00 0.00 40.66 42.04 3khd h LEU 392 CO -0.04 -0.67 0.34 0.58 -1.08 0.00 0.00 178.44 177.57 3khd h VAL 393 N -1.24 0.83 0.00 1.22 2.07 -1.18 -1.26 116.25 116.70 3khd h VAL 393 Ca -0.12 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 3khd h VAL 393 Cb 0.90 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3khd h VAL 393 CO 0.20 0.10 -0.01 0.78 0.02 0.00 0.00 177.57 178.66 3khd h ASN 394 N 0.57 0.00 0.00 0.57 2.35 -1.44 -3.22 115.58 114.42 3khd h ASN 394 Ca 0.35 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 3khd h ASN 394 Cb 0.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.76 3khd h ASN 394 CO -0.28 0.01 -1.37 0.00 -1.65 0.00 0.00 177.43 174.14 3khd n ALA 395 N -2.10 2.79 -1.56 -0.83 0.00 -0.55 -5.02 120.51 113.24 3khd n ALA 395 Ca -0.01 -0.33 -0.34 0.00 0.00 0.00 0.00 53.44 52.75 3khd n ALA 395 Cb 0.19 -0.46 0.05 0.00 0.00 0.00 0.00 19.45 19.23 3khd n ALA 395 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3khd s ILE 396 N -2.76 2.89 0.18 0.00 1.09 -0.76 -4.95 121.20 116.89 3khd s ILE 396 Ca -0.03 0.46 -0.33 0.00 -1.10 0.00 0.00 60.65 59.66 3khd s ILE 396 Cb 0.09 -3.05 -0.14 0.00 -1.06 0.00 0.00 42.46 38.30 3khd s ILE 396 CO 0.55 -0.21 1.46 -1.84 -0.10 0.00 0.00 174.94 174.80 3khd n GLU 397 N -2.16 1.91 -0.04 2.79 0.00 -1.26 -4.91 120.64 116.97 3khd n GLU 397 Ca 0.12 0.69 -0.01 0.00 0.00 0.00 0.00 57.16 57.96 3khd n GLU 397 Cb 0.51 -2.38 -0.01 0.00 0.00 0.00 0.00 31.44 29.56 3khd n GLU 397 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 3khd n THR 398 N 2.60 -0.06 -3.00 3.84 5.66 -1.26 -4.41 114.28 117.64 3khd n THR 398 Ca 0.15 1.35 -0.40 0.00 -3.05 0.00 0.00 64.05 62.10 3khd n THR 398 Cb 0.28 -1.78 -0.04 0.00 -1.55 0.00 0.00 70.33 67.24 3khd n THR 398 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 3khd s PRO 399 N -3.27 4.45 0.11 1.09 0.05 -1.26 -5.06 135.00 131.11 3khd s PRO 399 Ca -0.01 0.95 0.10 0.00 0.05 0.00 0.00 61.00 62.09 3khd s PRO 399 Cb 0.01 -3.45 -0.04 0.00 0.05 0.00 0.00 34.50 31.07 3khd s PRO 399 CO 0.06 0.05 -0.24 0.96 0.05 0.00 0.00 177.00 177.88 3khd s ILE 400 N 0.82 2.45 0.69 0.56 -5.25 -1.26 -5.13 121.20 114.07 3khd s ILE 400 Ca 0.39 -1.62 -0.14 0.00 -0.99 0.00 0.00 60.65 58.29 3khd s ILE 400 Cb -0.18 -2.08 0.02 0.00 2.95 0.00 0.00 42.46 43.16 3khd s ILE 400 CO 0.19 0.14 1.13 -0.94 -1.79 0.00 0.00 174.94 173.67 3khd s SER 401 N -1.96 4.82 0.26 4.36 1.04 -1.26 -4.86 113.70 116.10 3khd s SER 401 Ca 0.15 2.06 -0.01 0.00 0.48 0.00 0.00 55.95 58.63 3khd s SER 401 Cb -0.10 -2.56 0.50 0.00 0.10 0.00 0.00 66.02 63.96 3khd s SER 401 CO 0.07 -1.83 1.80 0.58 0.98 0.00 0.00 173.24 174.85 3khd h VAL 402 N -0.18 0.86 -0.30 5.02 2.07 -2.00 -1.81 116.25 119.91 3khd h VAL 402 Ca -0.47 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 66.71 3khd h VAL 402 Cb 1.25 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3khd h VAL 402 CO 0.53 0.15 -0.09 1.56 0.02 0.00 0.00 177.57 179.73 3khd h GLN 403 N 0.81 0.49 -0.02 1.57 7.50 -2.00 -2.18 115.11 121.29 3khd h GLN 403 Ca 0.45 -0.13 -0.16 0.00 0.50 0.00 0.00 58.65 59.32 3khd h GLN 403 Cb 0.50 -0.06 -0.02 0.00 0.05 0.00 0.00 27.48 27.96 3khd h GLN 403 CO -0.29 0.59 -0.71 1.49 -1.50 0.00 0.00 178.83 178.42 3khd h GLU 404 N 0.46 0.09 -0.33 1.46 4.81 -1.72 -1.90 114.58 117.46 3khd h GLU 404 Ca 0.09 -0.08 -0.14 0.00 -0.13 0.00 0.00 59.36 59.10 3khd h GLU 404 Cb 0.45 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 3khd h GLU 404 CO 0.02 0.76 -0.38 0.00 -0.73 0.00 0.00 179.01 178.68 3khd h ALA 405 N 1.22 0.72 -0.30 2.92 0.00 -1.09 -0.85 119.26 121.88 3khd h ALA 405 Ca -0.01 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 3khd h ALA 405 Cb 1.25 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 3khd h ALA 405 CO 0.10 0.66 -0.18 0.28 0.00 0.00 0.00 179.25 180.11 3khd h VAL 406 N 0.64 1.25 -0.35 0.00 2.07 -1.31 -1.85 116.25 116.70 3khd h VAL 406 Ca 0.06 -1.17 -0.10 0.00 0.82 0.00 0.00 66.70 66.31 3khd h VAL 406 Cb 0.93 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 3khd h VAL 406 CO 0.08 0.38 -0.20 0.00 0.02 0.00 0.00 177.57 177.86 3khd h ALA 407 N 1.31 1.01 -0.39 1.67 0.00 -1.14 -2.05 119.26 119.67 3khd h ALA 407 Ca 0.08 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3khd h ALA 407 Cb 0.60 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3khd h ALA 407 CO 0.04 0.59 0.16 0.00 0.00 0.00 0.00 179.25 180.04 3khd h ARG 408 N 0.58 0.58 -0.50 0.00 3.08 -0.82 -2.86 114.38 114.44 3khd h ARG 408 Ca 0.09 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3khd h ARG 408 Cb 0.66 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 3khd h ARG 408 CO 0.05 0.54 0.29 0.77 -1.07 0.00 0.00 179.97 180.55 3khd h SER 409 N 0.49 0.61 -0.90 7.04 0.02 -1.18 -0.17 113.55 119.47 3khd h SER 409 Ca 0.13 -0.08 0.11 0.00 -0.84 0.00 0.00 61.79 61.11 3khd h SER 409 Cb 0.17 -0.16 -0.07 0.00 0.14 0.00 0.00 62.40 62.49 3khd h SER 409 CO -0.01 0.51 0.58 0.00 -1.14 0.00 0.00 176.83 176.76 3khd h ALA 410 N 1.13 1.67 -0.06 3.77 0.00 -1.33 0.39 119.26 124.82 3khd h ALA 410 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3khd h ALA 410 Cb 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3khd h ALA 410 CO -0.03 0.14 -0.21 0.28 0.00 0.00 0.00 179.25 179.43 3khd h VAL 411 N 0.85 1.44 -0.55 0.00 2.07 -1.21 -2.37 116.25 116.49 3khd h VAL 411 Ca 0.42 -1.63 -0.06 0.00 0.82 0.00 0.00 66.70 66.26 3khd h VAL 411 Cb 0.47 2.35 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 3khd h VAL 411 CO -0.19 0.46 0.11 -0.33 0.02 0.00 0.00 177.57 177.64 3khd h GLU 412 N -0.28 0.86 -0.14 1.57 5.08 -0.47 -2.46 114.58 118.74 3khd h GLU 412 Ca -0.01 -0.19 -0.15 0.00 -1.00 0.00 0.00 59.36 58.01 3khd h GLU 412 Cb 0.85 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 3khd h GLU 412 CO 0.04 0.79 -0.56 1.15 -1.00 0.00 0.00 179.01 179.44 3khd h THR 413 N 0.83 1.34 -0.38 1.13 2.02 -0.32 -2.35 112.91 115.18 3khd h THR 413 Ca 0.18 -1.84 -0.04 0.00 0.77 0.00 0.00 66.41 65.48 3khd h THR 413 Cb 0.33 1.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.56 3khd h THR 413 CO 0.00 0.56 0.06 0.00 0.37 0.00 0.00 175.52 176.51 3khd h ALA 414 N 1.08 1.39 -0.14 6.16 0.00 -1.08 -2.67 119.26 124.01 3khd h ALA 414 Ca 0.00 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 3khd h ALA 414 Cb 1.07 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.71 3khd h ALA 414 CO 0.10 0.43 -0.57 0.93 0.00 0.00 0.00 179.25 180.14 3khd h GLU 415 N 0.56 0.64 -0.38 0.00 4.39 -1.33 -0.07 114.58 118.38 3khd h GLU 415 Ca 0.12 -0.50 -0.10 0.00 0.34 0.00 0.00 59.36 59.23 3khd h GLU 415 Cb 0.27 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 3khd h GLU 415 CO 0.00 1.12 -0.16 0.77 -1.16 0.00 0.00 179.01 179.58 3khd h SER 416 N 0.30 0.69 -0.25 1.42 0.02 -1.23 -3.07 113.55 111.42 3khd h SER 416 Ca -0.03 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 3khd h SER 416 Cb 1.20 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.56 3khd h SER 416 CO 0.12 0.86 0.00 2.30 -1.14 0.00 0.00 176.83 178.97 3khd n ILE 417 N -4.15 2.02 -3.90 3.27 -6.64 -1.02 -5.00 119.36 103.94 3khd n ILE 417 Ca 0.01 -1.74 -0.25 0.00 -1.77 0.00 0.00 62.75 59.00 3khd n ILE 417 Cb 0.38 -0.11 -0.01 0.00 -1.44 0.00 0.00 39.64 38.46 3khd n ILE 417 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3khd n GLN 418 N -0.40 -3.76 -1.91 6.28 1.13 -0.93 -4.84 117.38 112.94 3khd n GLN 418 Ca 0.19 0.46 -0.39 0.00 -1.94 0.00 0.00 57.00 55.32 3khd n GLN 418 Cb 0.79 -4.74 0.02 0.00 0.11 0.00 0.00 30.24 26.42 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 -3.85 3.04 0.05 -1.58 0.00 -0.08 -4.80 121.76 114.54 3khd s ALA 419 Ca 0.04 1.29 0.11 0.00 0.00 0.00 0.00 51.96 53.40 3khd s ALA 419 Cb -0.02 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.57 3khd s ALA 419 CO 0.87 -1.12 1.40 0.77 0.00 0.00 0.00 175.76 177.68 3khd h SER 420 N 2.01 0.00 -4.73 0.00 0.02 -1.76 -3.44 113.55 105.66 3khd h SER 420 Ca -0.50 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.32 3khd h SER 420 Cb 1.27 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.60 3khd h SER 420 CO 0.60 0.75 -0.34 -0.76 -1.14 0.00 0.00 176.83 175.94 3khd s LEU 421 N -6.75 0.99 -0.28 5.07 1.43 -1.26 -3.67 118.68 114.21 3khd s LEU 421 Ca 0.02 0.14 -0.07 0.00 -1.03 0.00 0.00 54.13 53.19 3khd s LEU 421 Cb 0.10 1.10 -0.01 0.00 0.03 0.00 0.00 46.19 47.41 3khd s LEU 421 CO 0.78 -0.36 0.08 -0.63 0.23 0.00 0.00 176.35 176.45 3khd s ILE 422 N -1.01 4.12 -0.36 -0.59 1.01 -0.70 -2.10 121.20 121.58 3khd s ILE 422 Ca -0.11 -0.47 -0.14 0.00 0.00 0.00 0.00 60.65 59.93 3khd s ILE 422 Cb -0.05 -3.04 -0.01 0.00 0.01 0.00 0.00 42.46 39.38 3khd s ILE 422 CO 0.03 0.19 0.28 -0.63 0.00 0.00 0.00 174.94 174.81 3khd s ILE 423 N 1.55 5.25 -0.31 2.92 1.01 0.16 -0.66 121.20 131.12 3khd s ILE 423 Ca 0.04 -0.28 -0.09 0.00 0.00 0.00 0.00 60.65 60.32 3khd s ILE 423 Cb -0.16 -3.80 -0.00 0.00 0.01 0.00 0.00 42.46 38.51 3khd s ILE 423 CO 0.03 -0.11 0.14 0.00 0.00 0.00 0.00 174.94 175.00 3khd s ALA 424 N 1.78 3.24 -0.46 9.38 0.00 0.16 -0.54 121.76 135.32 3khd s ALA 424 Ca 0.07 -1.42 -0.24 0.00 0.00 0.00 0.00 51.96 50.37 3khd s ALA 424 Cb -0.18 -2.35 0.03 0.00 0.00 0.00 0.00 23.12 20.62 3khd s ALA 424 CO 0.11 -0.94 0.82 -0.51 0.00 0.00 0.00 175.76 175.24 3khd s LEU 425 N 1.59 4.21 0.00 0.00 1.43 -0.54 -0.39 118.68 124.98 3khd s LEU 425 Ca 0.04 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 3khd s LEU 425 Cb -0.17 -3.00 -0.00 0.00 0.03 0.00 0.00 46.19 43.05 3khd s LEU 425 CO 0.06 -0.95 -0.04 0.28 0.23 0.00 0.00 176.35 175.92 3khd s THR 426 N 3.40 0.30 -0.18 5.49 -1.32 -0.39 -4.27 115.64 118.66 3khd s THR 426 Ca 0.31 -0.24 -0.16 0.00 -1.21 0.00 0.00 61.69 60.39 3khd s THR 426 Cb -0.12 -0.27 -0.12 0.00 -1.51 0.00 0.00 72.50 70.48 3khd s THR 426 CO 0.23 0.03 0.04 1.05 -2.21 0.00 0.00 174.62 173.77 3khd h GLU 427 N 5.91 0.00 0.00 7.08 9.09 -1.93 -3.35 114.58 131.38 3khd h GLU 427 Ca -0.27 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.14 3khd h GLU 427 Cb 1.20 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.30 3khd h GLU 427 CO 0.49 0.57 -0.47 0.25 0.05 0.00 0.00 179.01 179.90 3khd n THR 428 N -4.51 0.34 0.00 -1.06 -2.24 -1.26 -4.69 114.28 100.85 3khd n THR 428 Ca -0.21 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3khd n THR 428 Cb 0.50 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 3khd n THR 428 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3khd n GLY 429 N 1.36 2.29 0.31 3.38 0.00 -1.26 -4.87 105.19 106.40 3khd n GLY 429 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.14 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 0.76 -0.57 1.61 3.20 -1.95 -0.73 116.97 119.30 3khd h TYR 430 Ca 0.00 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 3khd h TYR 430 Cb 0.00 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 3khd h TYR 430 CO 0.00 0.16 0.20 1.15 -1.64 0.00 0.00 178.16 178.03 3khd h THR 431 N 0.60 1.23 -0.01 1.81 2.02 -1.92 -2.31 112.91 114.33 3khd h THR 431 Ca 0.48 -0.75 -0.10 0.00 0.77 0.00 0.00 66.41 66.80 3khd h THR 431 Cb 0.71 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 3khd h THR 431 CO -0.38 0.29 -0.48 0.00 0.37 0.00 0.00 175.52 175.31 3khd h ALA 432 N 1.06 1.18 -0.14 6.16 0.00 -1.65 -2.94 119.26 122.93 3khd h ALA 432 Ca 0.19 -0.44 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 3khd h ALA 432 Cb 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3khd h ALA 432 CO -0.01 0.61 -0.42 0.00 0.00 0.00 0.00 179.25 179.43 3khd h ARG 433 N 0.03 0.32 -0.23 0.00 3.08 -0.88 -0.56 114.38 116.14 3khd h ARG 433 Ca -0.00 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 59.82 3khd h ARG 433 Cb 0.86 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 3khd h ARG 433 CO 0.06 0.69 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.47 3khd h LEU 434 N 0.27 0.50 -0.70 3.04 3.38 -1.27 -1.88 115.31 118.66 3khd h LEU 434 Ca 0.02 -0.41 -0.10 0.00 0.09 0.00 0.00 57.88 57.48 3khd h LEU 434 Cb 0.85 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 3khd h LEU 434 CO 0.07 0.80 -0.08 0.40 0.09 0.00 0.00 178.44 179.72 3khd h ILE 435 N 0.20 1.26 -0.39 1.22 2.04 -1.46 -2.84 117.51 117.53 3khd h ILE 435 Ca 0.05 -1.19 -0.04 0.00 1.00 0.00 0.00 64.86 64.68 3khd h ILE 435 Cb 0.61 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 3khd h ILE 435 CO 0.03 0.42 0.08 0.00 0.00 0.00 0.00 178.15 178.68 3khd h ALA 436 N 1.07 1.41 -0.29 1.87 0.00 -1.07 -2.90 119.26 119.35 3khd h ALA 436 Ca 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3khd h ALA 436 Cb 0.60 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3khd h ALA 436 CO 0.04 0.43 0.14 -0.22 0.00 0.00 0.00 179.25 179.63 3khd h LYS 437 N 0.57 0.39 -0.45 0.00 3.64 -1.08 -2.80 116.57 116.83 3khd h LYS 437 Ca 0.13 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3khd h LYS 437 Cb 0.24 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3khd h LYS 437 CO -0.00 0.30 0.00 0.66 -2.27 0.00 0.00 179.45 178.14 3khd n TYR 438 N -4.45 0.60 -3.66 1.91 4.02 -1.10 -4.92 117.16 109.56 3khd n TYR 438 Ca 0.01 -0.30 -0.24 0.00 -0.01 0.00 0.00 57.90 57.36 3khd n TYR 438 Cb 0.11 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.43 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 1.05 -1.60 -1.70 -0.72 4.01 -1.06 -4.63 118.16 113.52 3khd n LYS 439 Ca 0.18 0.96 -0.31 0.00 -0.51 0.00 0.00 58.31 58.62 3khd n LYS 439 Cb 0.47 -2.65 0.04 0.00 -0.51 0.00 0.00 35.03 32.37 3khd n LYS 439 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 3khd s PRO 440 N -4.34 3.07 0.27 1.97 0.04 -1.26 -4.72 135.00 130.02 3khd s PRO 440 Ca 0.06 0.99 0.07 0.00 0.04 0.00 0.00 61.00 62.17 3khd s PRO 440 Cb -0.01 -2.01 0.37 0.00 0.04 0.00 0.00 34.50 32.90 3khd s PRO 440 CO 0.88 -1.00 1.63 0.66 0.04 0.00 0.00 177.00 179.21 3khd h SER 441 N -0.43 0.17 -3.68 6.66 4.64 -1.93 -3.46 113.55 115.53 3khd h SER 441 Ca -0.44 -0.09 -0.46 0.00 -0.47 0.00 0.00 61.79 60.32 3khd h SER 441 Cb 1.21 -0.05 0.07 0.00 -0.31 0.00 0.00 62.40 63.32 3khd h SER 441 CO 0.57 0.68 0.20 0.00 -0.87 0.00 0.00 176.83 177.41 3khd s THR 443 N -3.13 3.20 -0.30 0.00 2.01 -1.24 -4.84 115.64 111.34 3khd s THR 443 Ca 0.58 1.10 -0.10 0.00 0.31 0.00 0.00 61.69 63.57 3khd s THR 443 Cb -0.11 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 3khd s THR 443 CO 0.45 0.18 0.17 -0.63 -0.69 0.00 0.00 174.62 174.09 3khd s ILE 444 N -1.30 4.90 -0.36 1.82 1.01 -0.83 -1.71 121.20 124.72 3khd s ILE 444 Ca 0.52 -0.18 -0.16 0.00 0.00 0.00 0.00 60.65 60.83 3khd s ILE 444 Cb -0.32 -3.43 -0.00 0.00 0.01 0.00 0.00 42.46 38.72 3khd s ILE 444 CO 0.41 0.14 0.41 -0.76 0.00 0.00 0.00 174.94 175.14 3khd s LEU 445 N 1.68 4.54 -0.26 2.97 1.43 0.16 -1.87 118.68 127.33 3khd s LEU 445 Ca 0.06 -0.32 -0.14 0.00 -1.03 0.00 0.00 54.13 52.70 3khd s LEU 445 Cb -0.17 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.62 3khd s LEU 445 CO 0.08 -0.43 0.33 0.00 0.23 0.00 0.00 176.35 176.56 3khd s ALA 446 N 2.11 3.56 -0.22 4.21 0.00 -0.93 0.35 121.76 130.85 3khd s ALA 446 Ca 0.13 -0.81 -0.04 0.00 0.00 0.00 0.00 51.96 51.23 3khd s ALA 446 Cb -0.16 -2.62 -0.01 0.00 0.00 0.00 0.00 23.12 20.32 3khd s ALA 446 CO 0.12 -0.53 -0.02 -0.51 0.00 0.00 0.00 175.76 174.82 3khd s LEU 447 N 1.79 3.03 -0.01 0.00 1.43 0.48 -1.16 118.68 124.25 3khd s LEU 447 Ca 0.14 -0.33 -0.06 0.00 -1.03 0.00 0.00 54.13 52.85 3khd s LEU 447 Cb -0.15 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.29 3khd s LEU 447 CO 0.09 -0.01 0.11 -0.55 0.23 0.00 0.00 176.35 176.23 3khd s SER 448 N 1.40 0.02 0.13 2.29 0.15 -1.00 -1.26 113.70 115.44 3khd s SER 448 Ca 0.05 -0.16 0.25 0.00 0.70 0.00 0.00 55.95 56.80 3khd s SER 448 Cb -0.14 0.20 0.61 0.00 -1.71 0.00 0.00 66.02 64.98 3khd s SER 448 CO -0.01 -0.30 1.55 0.00 1.20 0.00 0.00 173.24 175.68 3khd n ALA 449 N 1.78 2.70 -2.69 5.45 0.00 -1.26 -1.21 120.51 125.28 3khd n ALA 449 Ca -0.21 -0.16 -0.39 0.00 0.00 0.00 0.00 53.44 52.68 3khd n ALA 449 Cb 0.56 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.65 3khd n ALA 449 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3khd s SER 450 N -4.11 6.67 0.32 0.00 0.15 -1.26 -4.81 113.70 110.65 3khd s SER 450 Ca 0.09 0.80 0.04 0.00 0.70 0.00 0.00 55.95 57.58 3khd s SER 450 Cb 0.14 -2.31 0.56 0.00 -1.71 0.00 0.00 66.02 62.70 3khd s SER 450 CO 0.66 -0.13 1.84 0.44 1.20 0.00 0.00 173.24 177.25 3khd h ASP 451 N 7.14 0.48 -0.28 5.45 3.32 -1.97 -2.67 116.42 127.89 3khd h ASP 451 Ca -0.36 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 56.59 3khd h ASP 451 Cb 1.16 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 3khd h ASP 451 CO 0.75 0.60 0.16 -1.28 -1.72 0.00 0.00 179.24 177.75 3khd h SER 452 N 0.48 0.26 0.58 6.45 0.87 -1.98 -2.34 113.55 117.86 3khd h SER 452 Ca 0.10 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.39 3khd h SER 452 Cb 0.41 -0.05 0.01 0.00 -0.44 0.00 0.00 62.40 62.33 3khd h SER 452 CO 0.02 0.19 -1.23 0.71 -0.53 0.00 0.00 176.83 175.99 3khd h THR 453 N 0.33 1.48 -0.25 2.23 1.35 -1.87 -2.03 112.91 114.14 3khd h THR 453 Ca 0.11 -2.97 -0.01 0.00 -0.55 0.00 0.00 66.41 62.99 3khd h THR 453 Cb 0.00 2.90 -0.01 0.00 -1.73 0.00 0.00 68.15 69.31 3khd h THR 453 CO -0.05 0.87 0.13 0.58 -0.25 0.00 0.00 175.52 176.80 3khd h VAL 454 N 0.10 1.08 0.00 6.82 2.07 -1.45 -1.43 116.25 123.44 3khd h VAL 454 Ca -0.14 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.16 3khd h VAL 454 Cb 1.94 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 3khd h VAL 454 CO 0.20 0.09 -0.71 0.29 0.02 0.00 0.00 177.57 177.47 3khd n LYS 455 N -4.47 0.03 0.04 1.57 5.02 -0.88 -4.22 118.16 115.24 3khd n LYS 455 Ca 0.01 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.32 3khd n LYS 455 Cb 0.10 -1.51 -0.08 0.00 -0.02 0.00 0.00 35.03 33.52 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 -2.82 0.48 0.10 0.00 4.77 -0.63 -3.91 117.00 115.00 3khd n LEU 457 Ca -0.09 -0.24 -0.04 0.00 -0.03 0.00 0.00 56.01 55.62 3khd n LEU 457 Cb 0.79 -0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.87 3khd n LEU 457 CO 0.43 0.12 0.34 0.78 -1.33 0.00 0.00 177.39 177.72 3khd h ASN 458 N 0.53 0.01 0.47 -1.43 2.35 -1.81 -3.05 115.58 112.65 3khd h ASN 458 Ca 0.00 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3khd h ASN 458 Cb 0.12 -0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 3khd h ASN 458 CO 0.00 0.79 -0.00 -0.37 -1.65 0.00 0.00 177.43 176.20 3khd h VAL 459 N 0.00 0.01 -3.52 2.81 -1.51 -1.88 -3.44 116.25 108.73 3khd h VAL 459 Ca -0.01 -0.24 -0.53 0.00 -1.23 0.00 0.00 66.70 64.69 3khd h VAL 459 Cb 1.39 1.24 -0.03 0.00 -2.13 0.00 0.00 31.29 31.75 3khd h VAL 459 CO 0.10 0.00 0.14 -1.00 -1.23 0.00 0.00 177.57 175.58 3khd s HIS 460 N -3.93 3.81 0.15 5.19 3.76 -1.15 -4.45 115.29 118.66 3khd s HIS 460 Ca -0.02 1.52 -0.30 0.00 -0.15 0.00 0.00 55.06 56.11 3khd s HIS 460 Cb 0.11 -2.70 -0.08 0.00 1.11 0.00 0.00 32.58 31.03 3khd s HIS 460 CO 0.47 0.46 1.22 0.50 -0.85 0.00 0.00 174.74 176.54 3khd s ARG 461 N -1.43 4.46 -0.56 1.40 3.52 -1.26 -3.80 118.95 121.27 3khd s ARG 461 Ca 0.38 1.88 0.00 0.00 -0.13 0.00 0.00 55.73 57.85 3khd s ARG 461 Cb -0.21 -3.26 0.00 0.00 -1.56 0.00 0.00 34.95 29.92 3khd s ARG 461 CO 0.24 -0.17 0.00 0.41 -0.81 0.00 0.00 175.30 174.97 3khd n GLY 462 N 2.55 0.78 3.30 8.12 0.00 0.34 -4.93 105.19 115.35 3khd n GLY 462 Ca 0.06 -0.54 -0.36 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.11 3.55 -0.12 1.61 1.01 -1.25 -1.96 120.40 121.14 3khd s VAL 463 Ca 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 3khd s VAL 463 Cb 0.00 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 3khd s VAL 463 CO 0.00 0.19 -0.03 0.42 0.00 0.00 0.00 175.10 175.68 3khd s THR 464 N 1.45 4.01 0.02 3.92 -4.23 -0.78 -4.79 115.64 115.24 3khd s THR 464 Ca 0.03 -0.33 0.02 0.00 -1.18 0.00 0.00 61.69 60.22 3khd s THR 464 Cb -0.16 -2.72 -0.04 0.00 1.34 0.00 0.00 72.50 70.92 3khd s THR 464 CO -0.01 0.54 0.02 0.00 -0.54 0.00 0.00 174.62 174.63 3khd s ILE 466 N -1.16 1.24 -0.15 0.00 1.01 -0.31 -4.70 121.20 117.12 3khd s ILE 466 Ca 0.22 -0.57 -0.26 0.00 0.00 0.00 0.00 60.65 60.04 3khd s ILE 466 Cb -0.12 -1.10 -0.02 0.00 0.01 0.00 0.00 42.46 41.24 3khd s ILE 466 CO 0.13 0.37 0.84 -0.75 0.00 0.00 0.00 174.94 175.53 3khd s LYS 467 N 0.38 4.32 0.38 2.79 2.20 -1.26 -2.37 119.74 126.18 3khd s LYS 467 Ca -0.10 1.05 0.08 0.00 -0.36 0.00 0.00 55.97 56.64 3khd s LYS 467 Cb -0.14 -3.56 -0.04 0.00 -1.51 0.00 0.00 37.83 32.58 3khd s LYS 467 CO 0.03 -0.30 0.20 0.14 -0.36 0.00 0.00 175.35 175.07 3khd s VAL 468 N 2.04 2.71 0.56 4.02 -7.23 -0.35 -4.95 120.40 117.19 3khd s VAL 468 Ca 0.39 -1.62 -0.21 0.00 -1.81 0.00 0.00 61.98 58.74 3khd s VAL 468 Cb -0.17 -2.99 -0.04 0.00 0.56 0.00 0.00 36.38 33.74 3khd s VAL 468 CO 0.13 -0.08 1.28 -0.83 -0.31 0.00 0.00 175.10 175.29 3khd s GLY 469 N -3.92 2.83 0.46 2.32 0.00 -1.26 -4.21 107.32 103.54 3khd s GLY 469 Ca 0.41 1.17 0.21 0.00 0.00 0.00 0.00 44.72 46.52 3khd s GLY 469 CO 0.24 1.64 1.97 0.23 0.00 0.00 0.00 173.10 177.18 3khd h SER 470 N 1.27 0.00 -3.58 1.64 0.87 -1.96 -3.44 113.55 108.35 3khd h SER 470 Ca -0.51 0.00 -0.72 0.00 -1.23 0.00 0.00 61.79 59.33 3khd h SER 470 Cb 1.30 0.00 -0.31 0.00 -0.44 0.00 0.00 62.40 62.95 3khd h SER 470 CO 0.57 0.20 -0.35 0.12 -0.53 0.00 0.00 176.83 176.84 3khd s PHE 471 N -4.21 3.49 -0.10 2.24 2.19 -1.26 -5.04 117.98 115.29 3khd s PHE 471 Ca -0.03 -2.17 0.03 0.00 0.33 0.00 0.00 56.93 55.10 3khd s PHE 471 Cb 0.14 -3.43 -0.08 0.00 -1.31 0.00 0.00 43.02 38.34 3khd s PHE 471 CO 0.64 -0.96 -0.05 0.25 1.83 0.00 0.00 175.22 176.94 3khd n THR 474 N 4.41 0.59 -0.25 0.12 -2.24 -1.26 -5.08 114.28 110.57 3khd n THR 474 Ca -0.01 -0.28 -0.06 0.00 -2.27 0.00 0.00 64.05 61.43 3khd n THR 474 Cb 0.41 -0.84 0.05 0.00 -2.10 0.00 0.00 70.33 67.85 3khd n THR 474 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3khd h ASP 475 N 0.00 0.88 0.50 3.42 3.32 -2.05 -1.23 116.42 121.26 3khd h ASP 475 Ca -0.23 -0.11 -0.17 0.00 0.02 0.00 0.00 57.03 56.54 3khd h ASP 475 Cb 1.42 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 3khd h ASP 475 CO -0.02 0.74 -0.73 0.16 -1.72 0.00 0.00 179.24 177.67 3khd h ILE 476 N 0.95 1.45 -0.43 0.35 -2.65 -2.02 -2.57 117.51 112.59 3khd h ILE 476 Ca 0.24 -2.29 -0.06 0.00 1.03 0.00 0.00 64.86 63.77 3khd h ILE 476 Cb 0.07 2.23 -0.02 0.00 -2.05 0.00 0.00 36.82 37.05 3khd h ILE 476 CO -0.04 0.67 0.02 0.58 0.03 0.00 0.00 178.15 179.41 3khd h VAL 477 N 0.13 1.26 -0.17 0.16 2.07 -1.90 0.27 116.25 118.05 3khd h VAL 477 Ca -0.02 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.47 3khd h VAL 477 Cb 1.29 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 3khd h VAL 477 CO 0.11 0.34 -0.02 0.40 0.02 0.00 0.00 177.57 178.42 3khd h ILE 478 N 0.59 1.27 -0.64 4.57 2.04 -1.28 -2.71 117.51 121.35 3khd h ILE 478 Ca 0.12 -0.93 0.01 0.00 1.00 0.00 0.00 64.86 65.06 3khd h ILE 478 Cb 0.46 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 3khd h ILE 478 CO 0.02 0.28 0.42 0.03 0.00 0.00 0.00 178.15 178.90 3khd h ARG 479 N 0.04 0.82 -0.43 2.37 3.08 -1.35 -2.71 114.38 116.20 3khd h ARG 479 Ca 0.05 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.90 3khd h ARG 479 Cb 0.43 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 3khd h ARG 479 CO 0.01 0.55 -0.29 -2.95 -1.07 0.00 0.00 179.97 176.21 3khd h ASN 480 N 0.85 0.99 -0.29 7.04 7.08 -0.89 -3.13 115.58 127.22 3khd h ASN 480 Ca 0.24 -0.41 -0.10 0.00 -3.08 0.00 0.00 56.30 52.95 3khd h ASN 480 Cb -0.08 -0.28 -0.02 0.00 -2.08 0.00 0.00 38.32 35.87 3khd h ASN 480 CO -0.05 1.20 -0.15 0.00 -2.08 0.00 0.00 177.43 176.35 3khd h ALA 481 N 0.85 0.99 -0.69 4.14 0.00 -1.18 -2.85 119.26 120.52 3khd h ALA 481 Ca 0.09 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 3khd h ALA 481 Cb 0.88 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3khd h ALA 481 CO 0.08 0.60 0.26 0.82 0.00 0.00 0.00 179.25 181.01 3khd h ILE 482 N 0.66 1.24 -0.61 0.00 2.04 -1.51 -1.16 117.51 118.17 3khd h ILE 482 Ca 0.11 -0.77 -0.07 0.00 1.00 0.00 0.00 64.86 65.12 3khd h ILE 482 Cb 0.62 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 3khd h ILE 482 CO 0.04 0.31 0.10 -0.33 0.00 0.00 0.00 178.15 178.27 3khd h GLU 483 N 1.00 0.98 -0.20 2.37 5.08 -1.45 -2.00 114.58 120.36 3khd h GLU 483 Ca 0.23 -0.25 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 3khd h GLU 483 Cb 0.21 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3khd h GLU 483 CO -0.02 0.91 -0.51 0.82 -1.00 0.00 0.00 179.01 179.21 3khd h ILE 484 N 0.93 1.32 -0.18 3.13 2.04 -1.29 -3.12 117.51 120.34 3khd h ILE 484 Ca 0.19 -1.74 -0.07 0.00 1.00 0.00 0.00 64.86 64.24 3khd h ILE 484 Cb 0.40 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 3khd h ILE 484 CO 0.01 0.54 -0.19 0.00 0.00 0.00 0.00 178.15 178.51 3khd h ALA 485 N 1.01 1.36 -0.45 1.87 0.00 -0.92 0.43 119.26 122.56 3khd h ALA 485 Ca 0.02 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 3khd h ALA 485 Cb 1.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3khd h ALA 485 CO 0.10 0.44 0.11 0.87 0.00 0.00 0.00 179.25 180.77 3khd h LYS 486 N 0.28 0.71 0.00 0.00 1.57 -1.34 -0.76 116.57 117.04 3khd h LYS 486 Ca 0.05 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.57 3khd h LYS 486 Cb 0.50 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3khd h LYS 486 CO 0.03 0.71 -0.44 1.96 -0.57 0.00 0.00 179.45 181.14 3khd h GLN 487 N 0.59 0.00 -0.05 3.15 4.20 -1.39 -2.95 115.11 118.66 3khd h GLN 487 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3khd h GLN 487 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 3khd h GLN 487 CO 0.00 0.44 0.00 2.89 -0.67 0.00 0.00 178.83 181.49 3khd n ARG 488 N -3.56 1.56 -1.19 1.46 0.00 0.10 -4.92 116.66 110.10 3khd n ARG 488 Ca -0.00 -0.82 -0.07 0.00 -0.00 0.00 0.00 57.85 56.97 3khd n ARG 488 Cb 0.55 -1.45 -0.03 0.00 -0.00 0.00 0.00 32.46 31.53 3khd n ARG 488 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3khd n ASN 489 N 0.00 -5.14 0.09 2.89 3.02 -0.98 -4.88 115.26 110.26 3khd n ASN 489 Ca 0.19 0.16 -0.04 0.00 -0.03 0.00 0.00 54.58 54.86 3khd n ASN 489 Cb 0.30 -3.22 -0.04 0.00 -0.61 0.00 0.00 39.78 36.20 3khd n ASN 489 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 3khd h MET 490 N 0.14 0.00 -3.60 3.52 2.86 -1.42 -3.47 114.93 112.97 3khd h MET 490 Ca -0.14 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.38 3khd h MET 490 Cb 0.88 0.00 -0.18 0.00 0.06 0.00 0.00 31.60 32.36 3khd h MET 490 CO 0.20 0.86 -0.44 0.00 1.06 0.00 0.00 176.91 178.58 3khd s ALA 491 N -2.90 -0.29 0.38 6.32 0.00 -1.00 -4.84 121.76 119.44 3khd s ALA 491 Ca 0.01 -0.31 0.08 0.00 0.00 0.00 0.00 51.96 51.74 3khd s ALA 491 Cb 0.10 0.23 -0.07 0.00 0.00 0.00 0.00 23.12 23.38 3khd s ALA 491 CO 0.80 -0.32 -0.02 0.15 0.00 0.00 0.00 175.76 176.37 3khd s LYS 492 N -2.31 1.93 0.04 0.00 -0.14 -1.26 -3.98 119.74 114.02 3khd s LYS 492 Ca -0.07 -2.01 -0.30 0.00 -1.36 0.00 0.00 55.97 52.23 3khd s LYS 492 Cb -0.02 -1.70 -0.06 0.00 -1.68 0.00 0.00 37.83 34.36 3khd s LYS 492 CO -0.03 0.03 1.39 0.54 -0.76 0.00 0.00 175.35 176.52 3khd s VAL 493 N -2.65 3.61 0.00 3.17 0.11 -1.26 -2.77 120.40 120.61 3khd s VAL 493 Ca 0.34 1.07 0.00 0.00 -2.93 0.00 0.00 61.98 60.46 3khd s VAL 493 Cb 0.06 -3.68 0.00 0.00 -1.53 0.00 0.00 36.38 31.23 3khd s VAL 493 CO 0.18 0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.59 3khd n GLY 494 N 3.58 1.86 3.78 6.54 0.00 -0.44 -5.02 105.19 115.49 3khd n GLY 494 Ca 0.12 0.00 -0.35 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 -1.61 5.95 0.17 1.61 1.01 -1.11 -4.66 116.67 118.02 3khd s ASP 495 Ca 0.00 2.17 -0.13 0.00 0.71 0.00 0.00 52.55 55.30 3khd s ASP 495 Cb 0.00 -2.58 -0.07 0.00 1.01 0.00 0.00 42.92 41.28 3khd s ASP 495 CO 0.00 -1.06 0.55 -0.94 0.21 0.00 0.00 175.17 173.93 3khd s SER 496 N -1.69 6.78 0.00 0.27 1.04 -1.26 -0.69 113.70 118.14 3khd s SER 496 Ca 0.69 1.05 0.02 0.00 0.48 0.00 0.00 55.95 58.19 3khd s SER 496 Cb -0.24 -2.28 -0.01 0.00 0.10 0.00 0.00 66.02 63.60 3khd s SER 496 CO 0.28 0.06 -0.07 -0.69 0.98 0.00 0.00 173.24 173.79 3khd s VAL 497 N -1.55 0.58 -0.20 5.02 1.01 0.54 -2.07 120.40 123.73 3khd s VAL 497 Ca 0.40 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.92 3khd s VAL 497 Cb -0.14 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.71 3khd s VAL 497 CO 0.20 0.10 -0.01 -0.63 0.00 0.00 0.00 175.10 174.76 3khd s ILE 498 N -0.31 3.88 -0.10 2.22 1.01 -0.89 -0.87 121.20 126.14 3khd s ILE 498 Ca 0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.32 3khd s ILE 498 Cb -0.04 -2.76 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 3khd s ILE 498 CO -0.00 0.43 -0.04 0.00 0.00 0.00 0.00 174.94 175.32 3khd s ALA 499 N 1.05 3.06 -0.04 9.38 0.00 0.25 0.39 121.76 135.84 3khd s ALA 499 Ca 0.02 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.15 3khd s ALA 499 Cb -0.14 -1.39 0.01 0.00 0.00 0.00 0.00 23.12 21.60 3khd s ALA 499 CO 0.01 0.46 -0.07 -1.50 0.00 0.00 0.00 175.76 174.66 3khd s ILE 500 N -0.44 0.69 -0.03 0.00 2.07 0.30 0.67 121.20 124.46 3khd s ILE 500 Ca 0.07 -0.24 0.00 0.00 -1.41 0.00 0.00 60.65 59.07 3khd s ILE 500 Cb -0.12 -0.66 0.03 0.00 0.13 0.00 0.00 42.46 41.83 3khd s ILE 500 CO 0.02 0.25 0.01 -2.28 -1.91 0.00 0.00 174.94 171.02 3khd s HIS 501 N 0.64 0.27 -0.25 3.50 5.65 -0.79 -1.47 115.29 122.85 3khd s HIS 501 Ca -0.10 0.02 0.01 0.00 0.25 0.00 0.00 55.06 55.24 3khd s HIS 501 Cb -0.13 -0.39 0.04 0.00 -1.18 0.00 0.00 32.58 30.92 3khd s HIS 501 CO 0.01 -0.13 -0.10 0.20 -0.65 0.00 0.00 174.74 174.07 3khd s GLY 502 N 1.06 1.61 0.13 1.59 0.00 -1.26 0.19 107.32 110.65 3khd s GLY 502 Ca -0.09 -1.60 -0.13 0.00 0.00 0.00 0.00 44.72 42.90 3khd s GLY 502 CO -0.02 0.54 1.52 -2.22 0.00 0.00 0.00 173.10 172.92 3khd h ILE 503 N 6.44 1.28 0.00 0.90 5.03 -1.96 -3.48 117.51 125.71 3khd h ILE 503 Ca -0.27 -1.28 -0.07 0.00 -0.12 0.00 0.00 64.86 63.11 3khd h ILE 503 Cb 1.08 1.24 -0.01 0.00 -3.03 0.00 0.00 36.82 36.09 3khd h ILE 503 CO 0.53 0.43 -0.71 0.07 -0.68 0.00 0.00 178.15 177.79 3khd h LYS 504 N 0.65 0.00 0.00 2.37 5.09 -2.03 -3.52 116.57 119.13 3khd h LYS 504 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.84 3khd h LYS 504 Cb 0.70 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.03 3khd h LYS 504 CO 0.05 0.34 0.00 0.25 -2.09 0.00 0.00 179.45 178.01 3khd n THR 511 N -4.57 0.00 -4.71 0.07 -2.24 -1.26 -5.12 114.28 96.45 3khd n THR 511 Ca -0.15 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.38 3khd n THR 511 Cb 0.39 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.45 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 0.30 1.95 0.08 3.42 0.01 -1.26 -4.54 114.94 114.90 3khd s ASN 512 Ca 0.00 -0.32 0.08 0.00 -0.71 0.00 0.00 52.86 51.90 3khd s ASN 512 Cb 0.00 -0.71 -0.03 0.00 0.41 0.00 0.00 41.25 40.92 3khd s ASN 512 CO 0.00 0.09 -0.20 -0.22 -1.51 0.00 0.00 177.10 175.26 3khd s LEU 513 N 0.33 2.25 -0.09 0.60 2.96 0.13 -5.01 118.68 119.85 3khd s LEU 513 Ca -0.09 -0.62 -0.03 0.00 -0.22 0.00 0.00 54.13 53.17 3khd s LEU 513 Cb -0.13 -0.88 0.04 0.00 0.50 0.00 0.00 46.19 45.72 3khd s LEU 513 CO 0.03 0.08 0.09 -0.32 -1.32 0.00 0.00 176.35 174.91 3khd s MET 514 N -1.64 -0.02 -0.12 1.98 -2.45 -1.26 -1.88 119.30 113.91 3khd s MET 514 Ca 0.06 0.26 0.02 0.00 -1.25 0.00 0.00 55.69 54.78 3khd s MET 514 Cb -0.10 -0.89 -0.00 0.00 1.25 0.00 0.00 34.83 35.09 3khd s MET 514 CO 0.03 -0.44 -0.19 -1.59 1.05 0.00 0.00 175.02 173.88 3khd s LYS 515 N 2.18 3.18 -0.26 4.11 0.00 0.21 -4.96 119.74 124.20 3khd s LYS 515 Ca 0.04 -0.80 -0.08 0.00 0.00 0.00 0.00 55.97 55.13 3khd s LYS 515 Cb -0.13 -2.46 -0.03 0.00 0.00 0.00 0.00 37.83 35.22 3khd s LYS 515 CO -0.05 0.16 0.09 0.08 0.00 0.00 0.00 175.35 175.63 3khd s VAL 516 N 0.43 4.42 -0.01 1.79 1.01 -1.26 0.85 120.40 127.63 3khd s VAL 516 Ca -0.14 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.69 3khd s VAL 516 Cb -0.17 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 3khd s VAL 516 CO 0.06 0.28 -0.16 0.68 0.00 0.00 0.00 175.10 175.96 3khd s VAL 517 N 1.62 1.25 -0.04 2.92 -7.23 -0.05 -4.97 120.40 113.90 3khd s VAL 517 Ca 0.06 -0.67 -0.16 0.00 -1.81 0.00 0.00 61.98 59.39 3khd s VAL 517 Cb -0.16 -1.04 -0.05 0.00 0.56 0.00 0.00 36.38 35.69 3khd s VAL 517 CO 0.05 0.35 0.44 0.00 -0.31 0.00 0.00 175.10 175.63 3khd s GLN 518 N -0.35 4.11 -0.08 4.82 0.00 -1.26 -0.34 119.66 126.57 3khd s GLN 518 Ca 0.06 0.44 -0.30 0.00 -0.00 0.00 0.00 55.36 55.56 3khd s GLN 518 Cb -0.06 -3.31 -0.03 0.00 0.00 0.00 0.00 33.01 29.60 3khd s GLN 518 CO -0.01 0.48 1.31 0.42 0.00 0.00 0.00 175.29 177.49 3khd s ILE 519 N -0.41 4.06 -2.37 3.63 1.01 0.13 -4.96 121.20 122.30 3khd s ILE 519 Ca 0.25 1.37 0.19 0.00 0.00 0.00 0.00 60.65 62.45 3khd s ILE 519 Cb -0.16 -3.88 0.15 0.00 0.01 0.00 0.00 42.46 38.58 3khd s ILE 519 CO 0.12 -0.05 1.10 -1.84 0.00 0.00 0.00 174.94 174.27