#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1amu n THR 18 N 0.00 0.52 -4.16 2.61 -2.24 -1.26 -4.01 114.28 105.74 1amu n THR 18 Ca 0.00 -0.49 -0.31 0.00 -2.27 0.00 0.00 64.05 60.98 1amu n THR 18 Cb 0.00 -0.18 -0.05 0.00 -2.10 0.00 0.00 70.33 68.01 1amu n THR 18 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1amu n HIS 19 N -1.73 -1.53 0.03 4.78 -0.00 -1.26 -4.93 115.22 110.58 1amu n HIS 19 Ca 0.08 0.72 -0.12 0.00 -0.00 0.00 0.00 57.72 58.39 1amu n HIS 19 Cb 0.48 -3.17 -0.08 0.00 -0.00 0.00 0.00 29.99 27.23 1amu n HIS 19 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 1amu h GLU 20 N -1.67 -0.01 -0.97 -0.41 3.07 -2.00 -2.74 114.58 109.84 1amu h GLU 20 Ca -0.63 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.29 1amu h GLU 20 Cb 1.38 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 29.23 1amu h GLU 20 CO 0.71 0.09 0.63 1.49 -1.40 0.00 0.00 179.01 180.53 1amu h GLU 21 N -0.11 1.13 -0.39 2.33 4.81 -1.95 0.16 114.58 120.57 1amu h GLU 21 Ca -0.00 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.09 1amu h GLU 21 Cb 0.10 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 1amu h GLU 21 CO 0.00 0.75 -0.04 1.49 -0.73 0.00 0.00 179.01 180.49 1amu h GLU 22 N 1.17 0.71 -0.60 1.92 4.81 -1.96 -1.75 114.58 118.88 1amu h GLU 22 Ca 0.41 -0.25 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 1amu h GLU 22 Cb 0.11 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1amu h GLU 22 CO -0.15 0.83 0.22 1.96 -0.73 0.00 0.00 179.01 181.14 1amu h GLN 23 N 0.53 0.88 -0.04 1.92 4.20 -0.99 -2.66 115.11 118.95 1amu h GLN 23 Ca 0.11 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1amu h GLN 23 Cb 0.53 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 1amu h GLN 23 CO 0.03 0.74 0.01 -0.92 -0.67 0.00 0.00 178.83 178.02 1amu h TYR 24 N 0.87 0.06 0.00 2.96 3.20 -0.48 0.13 116.97 123.70 1amu h TYR 24 Ca 0.20 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 1amu h TYR 24 Cb 0.20 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.45 1amu h TYR 24 CO 0.01 0.21 -0.00 -0.07 -1.64 0.00 0.00 178.16 176.67 1amu h LEU 25 N -0.11 0.00 0.04 2.82 3.38 -1.03 -0.89 115.31 119.52 1amu h LEU 25 Ca 0.01 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.65 1amu h LEU 25 Cb 0.18 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1amu h LEU 25 CO -0.00 0.00 -1.99 0.49 0.09 0.00 0.00 178.44 177.03 1amu n PHE 26 N -3.26 0.82 0.22 1.13 3.01 -0.99 -4.23 117.46 114.16 1amu n PHE 26 Ca -0.03 0.24 0.07 0.00 1.01 0.00 0.00 57.45 58.74 1amu n PHE 26 Cb 0.08 -1.13 0.53 0.00 -0.01 0.00 0.00 39.48 38.95 1amu n PHE 26 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1amu h ALA 27 N 0.61 1.41 0.00 4.37 0.00 0.57 -1.72 119.26 124.49 1amu h ALA 27 Ca -0.40 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 1amu h ALA 27 Cb 2.05 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.80 1amu h ALA 27 CO 0.06 0.29 -0.09 -0.39 0.00 0.00 0.00 179.25 179.12 1amu h VAL 28 N 0.00 0.36 -0.52 0.00 -1.51 -1.48 -2.41 116.25 110.70 1amu h VAL 28 Ca -0.00 -0.49 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 1amu h VAL 28 Cb 0.47 1.36 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 1amu h VAL 28 CO 0.03 0.08 0.00 0.59 -1.23 0.00 0.00 177.57 177.04 1amu n ASN 29 N -3.42 3.41 -4.39 4.19 3.02 -0.65 -4.71 115.26 112.71 1amu n ASN 29 Ca -0.01 -2.20 -0.41 0.00 -0.03 0.00 0.00 54.58 51.93 1amu n ASN 29 Cb 0.24 -0.45 -0.01 0.00 -0.61 0.00 0.00 39.78 38.95 1amu n ASN 29 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1amu n ASN 30 N 0.93 4.36 0.00 6.41 3.02 -0.91 -4.55 115.26 124.51 1amu n ASN 30 Ca 0.19 -2.86 0.00 0.00 -0.03 0.00 0.00 54.58 51.88 1amu n ASN 30 Cb 0.61 -1.70 0.00 0.00 -0.61 0.00 0.00 39.78 38.07 1amu n ASN 30 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1amu n THR 31 N 6.38 0.42 -1.69 3.41 -2.24 -1.26 -5.06 114.28 114.24 1amu n THR 31 Ca 0.49 -0.66 -0.43 0.00 -2.27 0.00 0.00 64.05 61.17 1amu n THR 31 Cb 0.45 0.84 -0.01 0.00 -2.10 0.00 0.00 70.33 69.50 1amu n THR 31 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1amu n LYS 32 N -0.21 2.10 -3.66 -0.78 4.81 -1.26 -0.94 118.16 118.21 1amu n LYS 32 Ca 0.00 0.74 -0.15 0.00 -0.87 0.00 0.00 58.31 58.03 1amu n LYS 32 Cb 0.14 -2.35 -0.08 0.00 0.02 0.00 0.00 35.03 32.75 1amu n LYS 32 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1amu s ALA 33 N -0.64 -1.30 0.30 3.14 0.00 -1.26 -4.83 121.76 117.17 1amu s ALA 33 Ca 0.61 1.11 -0.29 0.00 0.00 0.00 0.00 51.96 53.39 1amu s ALA 33 Cb -0.60 -0.34 -0.10 0.00 0.00 0.00 0.00 23.12 22.07 1amu s ALA 33 CO 0.57 -0.29 1.38 -1.21 0.00 0.00 0.00 175.76 176.20 1amu s GLU 34 N -0.61 4.30 0.09 0.00 0.41 -1.26 -4.86 118.70 116.76 1amu s GLU 34 Ca -0.07 2.28 -0.21 0.00 -0.41 0.00 0.00 54.97 56.55 1amu s GLU 34 Cb -0.03 -3.08 0.05 0.00 -1.78 0.00 0.00 34.13 29.29 1amu s GLU 34 CO 0.04 -0.32 0.51 1.52 -0.49 0.00 0.00 175.26 176.53 1amu s TYR 35 N -0.62 -0.39 -0.83 1.61 1.13 -1.26 -5.00 117.35 111.98 1amu s TYR 35 Ca 0.54 0.30 -0.24 0.00 -1.41 0.00 0.00 57.07 56.27 1amu s TYR 35 Cb -0.41 0.36 -0.17 0.00 -1.10 0.00 0.00 41.96 40.65 1amu s TYR 35 CO 0.49 -0.70 1.90 -2.30 -2.51 0.00 0.00 175.55 172.43 1amu n PRO 36 N 0.10 1.29 0.20 -3.49 -0.02 -1.26 -4.70 135.00 127.11 1amu n PRO 36 Ca -0.17 -1.94 0.15 0.00 -2.02 0.00 0.00 63.50 59.51 1amu n PRO 36 Cb 0.62 -3.19 0.58 0.00 -0.02 0.00 0.00 33.50 31.49 1amu n PRO 36 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1amu h ARG 37 N 8.93 0.00 -0.24 -0.52 0.11 -1.94 -2.61 114.38 118.12 1amu h ARG 37 Ca 0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.40 1amu h ARG 37 Cb 0.78 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.86 1amu h ARG 37 CO 1.68 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 181.50 1amu n ASP 38 N -2.65 3.06 -4.88 0.08 8.00 -1.26 -4.70 116.55 114.19 1amu n ASP 38 Ca 0.01 -1.91 -0.29 0.00 0.71 0.00 0.00 54.79 53.32 1amu n ASP 38 Cb 0.27 -0.15 -0.04 0.00 -0.02 0.00 0.00 41.12 41.18 1amu n ASP 38 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1amu s LYS 39 N -1.46 3.27 0.49 -1.24 1.02 -0.98 -4.45 119.74 116.38 1amu s LYS 39 Ca 0.31 -0.58 0.05 0.00 0.02 0.00 0.00 55.97 55.76 1amu s LYS 39 Cb 0.19 -2.91 0.02 0.00 -0.52 0.00 0.00 37.83 34.61 1amu s LYS 39 CO 0.27 0.56 0.68 0.95 -0.92 0.00 0.00 175.35 176.89 1amu s THR 40 N -1.57 2.81 0.16 2.17 -4.23 -1.26 -4.51 115.64 109.21 1amu s THR 40 Ca 0.33 -0.83 -0.15 0.00 -1.18 0.00 0.00 61.69 59.87 1amu s THR 40 Cb -0.12 -2.98 0.04 0.00 1.34 0.00 0.00 72.50 70.78 1amu s THR 40 CO 0.26 0.00 1.78 0.40 -0.54 0.00 0.00 174.62 176.52 1amu h ILE 41 N 0.34 1.16 -0.18 2.99 2.04 -1.96 -1.28 117.51 120.62 1amu h ILE 41 Ca -0.41 -0.39 -0.12 0.00 1.00 0.00 0.00 64.86 64.94 1amu h ILE 41 Cb 1.29 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1amu h ILE 41 CO 0.48 0.17 -0.39 1.12 0.00 0.00 0.00 178.15 179.53 1amu h HIS 42 N 0.65 0.47 -0.42 1.37 2.07 -1.95 -1.15 115.15 116.19 1amu h HIS 42 Ca 0.17 -0.13 0.00 0.00 -2.85 0.00 0.00 60.37 57.57 1amu h HIS 42 Cb 0.02 -0.10 -0.02 0.00 2.57 0.00 0.00 27.41 29.88 1amu h HIS 42 CO -0.02 0.74 0.27 0.37 -3.07 0.00 0.00 177.93 176.22 1amu h GLN 43 N 0.34 0.56 -0.77 5.12 4.15 -1.83 0.21 115.11 122.89 1amu h GLN 43 Ca 0.03 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.36 1amu h GLN 43 Cb 0.84 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.38 1amu h GLN 43 CO 0.07 0.38 0.28 -0.07 -1.93 0.00 0.00 178.83 177.56 1amu h LEU 44 N 0.57 1.09 -0.35 -2.39 3.38 -1.02 -0.17 115.31 116.42 1amu h LEU 44 Ca 0.15 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1amu h LEU 44 Cb -0.05 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 1amu h LEU 44 CO -0.03 0.98 0.11 0.15 0.09 0.00 0.00 178.44 179.74 1amu h PHE 45 N 1.13 0.56 -0.68 1.13 3.57 -0.74 -2.00 116.94 119.91 1amu h PHE 45 Ca 0.25 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 1amu h PHE 45 Cb 0.25 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 1amu h PHE 45 CO 0.02 0.54 0.37 0.93 -2.23 0.00 0.00 178.31 177.94 1amu h GLU 46 N 0.42 0.94 0.00 1.11 5.08 -0.19 0.89 114.58 122.82 1amu h GLU 46 Ca 0.11 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 1amu h GLU 46 Cb 0.24 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1amu h GLU 46 CO -0.00 0.69 -0.41 0.93 -1.00 0.00 0.00 179.01 179.22 1amu h GLU 47 N 0.94 0.00 -0.05 2.33 5.08 -0.83 -1.10 114.58 120.95 1amu h GLU 47 Ca 0.24 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.40 1amu h GLU 47 Cb 0.03 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.30 1amu h GLU 47 CO -0.04 0.41 -0.76 0.37 -1.00 0.00 0.00 179.01 177.99 1amu h GLN 48 N 0.00 0.61 -0.74 2.33 5.75 -0.51 -2.49 115.11 120.05 1amu h GLN 48 Ca -0.00 -0.58 0.05 0.00 -0.15 0.00 0.00 58.65 57.97 1amu h GLN 48 Cb 0.83 0.15 -0.05 0.00 1.07 0.00 0.00 27.48 29.47 1amu h GLN 48 CO 0.05 1.20 0.44 0.28 -2.65 0.00 0.00 178.83 178.15 1amu h VAL 49 N 0.24 1.02 -0.78 2.39 2.07 -0.58 -1.77 116.25 118.84 1amu h VAL 49 Ca -0.08 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 1amu h VAL 49 Cb 1.42 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1amu h VAL 49 CO 0.15 0.15 0.28 -1.28 0.02 0.00 0.00 177.57 176.90 1amu h SER 50 N 0.82 1.11 -0.05 0.57 0.87 -1.16 0.03 113.55 115.73 1amu h SER 50 Ca 0.32 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 1amu h SER 50 Cb 0.15 -0.29 -0.00 0.00 -0.44 0.00 0.00 62.40 61.82 1amu h SER 50 CO -0.16 1.00 0.01 0.11 -0.53 0.00 0.00 176.83 177.25 1amu h LYS 51 N 1.15 0.09 -2.15 2.24 1.57 -0.94 -3.39 116.57 115.14 1amu h LYS 51 Ca 0.26 -0.02 -0.57 0.00 -1.87 0.00 0.00 60.65 58.45 1amu h LYS 51 Cb 0.26 -0.01 -0.38 0.00 0.08 0.00 0.00 32.23 32.18 1amu h LYS 51 CO -0.02 0.31 -1.03 0.54 -0.57 0.00 0.00 179.45 178.68 1amu n ARG 52 N -4.91 0.45 0.29 3.15 5.12 -0.72 -4.98 116.66 115.05 1amu n ARG 52 Ca -0.07 -3.17 0.15 0.00 -1.93 0.00 0.00 57.85 52.83 1amu n ARG 52 Cb 0.16 -1.44 0.87 0.00 -1.16 0.00 0.00 32.46 30.89 1amu n ARG 52 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1amu h PRO 53 N 4.82 0.00 -0.02 5.56 0.13 -1.19 -2.84 132.00 138.45 1amu h PRO 53 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1amu h PRO 53 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1amu h PRO 53 CO 0.41 0.04 -0.13 0.09 -0.23 0.00 0.00 178.00 178.18 1amu n ASN 54 N -3.72 2.40 -4.76 1.44 3.02 -1.26 -0.92 115.26 111.46 1amu n ASN 54 Ca -0.03 -1.73 -0.38 0.00 -0.03 0.00 0.00 54.58 52.41 1amu n ASN 54 Cb 0.14 0.12 0.02 0.00 -0.61 0.00 0.00 39.78 39.44 1amu n ASN 54 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1amu s ASN 55 N -2.15 5.72 0.11 6.41 -0.87 -1.07 -4.78 114.94 118.32 1amu s ASN 55 Ca 0.27 2.60 -0.31 0.00 -1.57 0.00 0.00 52.86 53.86 1amu s ASN 55 Cb 0.20 -2.63 -0.08 0.00 -0.02 0.00 0.00 41.25 38.72 1amu s ASN 55 CO 0.38 -1.25 1.36 -0.69 -2.57 0.00 0.00 177.10 174.34 1amu s VAL 56 N -1.38 3.40 -0.24 1.60 1.01 -1.26 -0.71 120.40 122.82 1amu s VAL 56 Ca 0.67 1.01 -0.01 0.00 0.00 0.00 0.00 61.98 63.64 1amu s VAL 56 Cb -0.36 -3.64 -0.15 0.00 0.00 0.00 0.00 36.38 32.23 1amu s VAL 56 CO 0.44 0.08 -0.24 0.00 0.00 0.00 0.00 175.10 175.38 1amu n ALA 57 N 3.91 1.46 -3.51 5.51 0.00 0.23 -4.06 120.51 124.05 1amu n ALA 57 Ca 0.11 -1.02 -0.12 0.00 0.00 0.00 0.00 53.44 52.41 1amu n ALA 57 Cb 0.43 -0.01 -0.12 0.00 0.00 0.00 0.00 19.45 19.75 1amu n ALA 57 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1amu s ILE 58 N -2.48 -0.02 -0.08 0.00 2.07 -1.07 -0.47 121.20 119.15 1amu s ILE 58 Ca -0.33 0.09 0.02 0.00 -1.41 0.00 0.00 60.65 59.02 1amu s ILE 58 Cb 0.09 -0.39 0.01 0.00 0.13 0.00 0.00 42.46 42.31 1amu s ILE 58 CO 0.53 0.04 -0.13 -0.69 -1.91 0.00 0.00 174.94 172.78 1amu s VAL 59 N 0.86 1.24 -0.27 4.00 1.01 0.29 -1.49 120.40 126.04 1amu s VAL 59 Ca -0.06 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 1amu s VAL 59 Cb -0.07 -1.14 0.09 0.00 0.00 0.00 0.00 36.38 35.26 1amu s VAL 59 CO -0.06 0.38 0.08 0.00 0.00 0.00 0.00 175.10 175.51 1amu n GLU 61 N 4.96 0.00 -0.37 0.00 -0.58 -1.26 -2.08 120.64 121.31 1amu n GLU 61 Ca -0.05 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.77 1amu n GLU 61 Cb 0.44 0.00 0.25 0.00 -0.57 0.00 0.00 31.44 31.56 1amu n GLU 61 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1amu n ASN 62 N 11.05 3.75 -4.34 1.62 3.02 -1.26 -4.96 115.26 124.13 1amu n ASN 62 Ca 0.00 -2.28 -0.27 0.00 -0.03 0.00 0.00 54.58 52.00 1amu n ASN 62 Cb 0.00 -0.42 -0.13 0.00 -0.61 0.00 0.00 39.78 38.62 1amu n ASN 62 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1amu s GLU 63 N -1.52 1.28 0.14 3.52 2.02 -0.89 -5.15 118.70 118.10 1amu s GLU 63 Ca 0.38 -1.25 -0.18 0.00 0.02 0.00 0.00 54.97 53.94 1amu s GLU 63 Cb 0.23 -1.66 0.04 0.00 0.10 0.00 0.00 34.13 32.85 1amu s GLU 63 CO 0.20 0.39 0.45 1.14 0.02 0.00 0.00 175.26 177.47 1amu s GLN 64 N -1.96 1.13 0.03 1.61 -2.07 -1.26 -1.00 119.66 116.14 1amu s GLN 64 Ca 0.10 -0.65 0.03 0.00 -1.82 0.00 0.00 55.36 53.02 1amu s GLN 64 Cb -0.10 0.50 -0.02 0.00 -1.09 0.00 0.00 33.01 32.30 1amu s GLN 64 CO 0.05 -0.46 -0.11 -0.51 -1.32 0.00 0.00 175.29 172.94 1amu s LEU 65 N -2.79 2.15 0.80 2.60 1.43 -0.56 -5.02 118.68 117.30 1amu s LEU 65 Ca 0.03 -0.40 -0.10 0.00 -1.03 0.00 0.00 54.13 52.63 1amu s LEU 65 Cb 0.01 -0.43 0.11 0.00 0.03 0.00 0.00 46.19 45.91 1amu s LEU 65 CO -0.12 -0.01 1.14 0.42 0.23 0.00 0.00 176.35 178.01 1amu s THR 66 N -0.81 2.11 0.23 5.49 -4.23 -1.26 -0.60 115.64 116.56 1amu s THR 66 Ca -0.01 -0.16 -0.08 0.00 -1.18 0.00 0.00 61.69 60.27 1amu s THR 66 Cb -0.07 -2.95 0.18 0.00 1.34 0.00 0.00 72.50 71.00 1amu s THR 66 CO 0.01 0.00 1.85 1.88 -0.54 0.00 0.00 174.62 177.82 1amu h TYR 67 N -1.00 0.92 0.09 3.99 -1.99 -0.78 -1.37 116.97 116.84 1amu h TYR 67 Ca -0.44 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.31 1amu h TYR 67 Cb 1.29 -0.30 0.00 0.00 2.00 0.00 0.00 36.73 39.72 1amu h TYR 67 CO -0.13 0.50 -0.04 1.25 -0.00 0.00 0.00 178.16 179.74 1amu h HIS 68 N 0.94 -0.11 -0.53 4.88 2.76 -1.31 -1.21 115.15 120.57 1amu h HIS 68 Ca 0.33 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.51 1amu h HIS 68 Cb 0.07 0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.04 1amu h HIS 68 CO -0.04 0.05 0.34 0.93 -1.30 0.00 0.00 177.93 177.91 1amu h GLU 69 N -0.26 0.66 -0.38 5.26 5.08 -1.75 0.05 114.58 123.25 1amu h GLU 69 Ca -0.01 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1amu h GLU 69 Cb 0.22 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1amu h GLU 69 CO 0.02 0.44 0.22 1.25 -1.00 0.00 0.00 179.01 179.94 1amu h LEU 70 N 0.68 0.46 -0.51 1.33 5.85 -1.24 -2.13 115.31 119.77 1amu h LEU 70 Ca 0.20 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1amu h LEU 70 Cb -0.04 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1amu h LEU 70 CO -0.06 0.40 0.33 -1.13 -0.34 0.00 0.00 178.44 177.63 1amu h ASN 71 N 0.49 0.59 0.12 1.25 -1.24 -0.73 -0.97 115.58 115.09 1amu h ASN 71 Ca 0.14 -0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.12 1amu h ASN 71 Cb 0.03 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 38.92 1amu h ASN 71 CO -0.02 0.44 -0.09 0.58 -1.29 0.00 0.00 177.43 177.04 1amu h VAL 72 N 0.68 0.80 -0.92 2.57 2.07 -0.83 -0.12 116.25 120.49 1amu h VAL 72 Ca 0.18 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.70 1amu h VAL 72 Cb -0.07 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 1amu h VAL 72 CO -0.04 0.00 0.58 0.11 0.02 0.00 0.00 177.57 178.24 1amu h LYS 73 N -0.22 1.24 -0.73 1.57 1.57 -1.16 -0.04 116.57 118.79 1amu h LYS 73 Ca -0.00 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1amu h LYS 73 Cb 0.20 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1amu h LYS 73 CO -0.01 0.85 0.23 0.00 -0.57 0.00 0.00 179.45 179.96 1amu h ALA 74 N 1.32 0.96 -0.62 3.86 0.00 -0.88 -1.43 119.26 122.47 1amu h ALA 74 Ca 0.33 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1amu h ALA 74 Cb -0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 1amu h ALA 74 CO -0.07 0.64 0.05 -0.91 0.00 0.00 0.00 179.25 178.96 1amu h ASN 75 N 1.09 1.02 0.04 0.00 2.35 -0.36 0.02 115.58 119.73 1amu h ASN 75 Ca 0.24 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1amu h ASN 75 Cb 0.30 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1amu h ASN 75 CO -0.01 1.04 -0.02 1.56 -1.65 0.00 0.00 177.43 178.35 1amu h GLN 76 N 0.97 -0.05 0.00 0.81 4.20 -0.66 -1.67 115.11 118.71 1amu h GLN 76 Ca 0.18 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.82 1amu h GLN 76 Cb 0.49 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1amu h GLN 76 CO 0.02 0.17 -0.35 1.25 -0.67 0.00 0.00 178.83 179.25 1amu h LEU 77 N -0.27 0.00 -0.63 1.46 5.85 -1.27 -2.68 115.31 117.77 1amu h LEU 77 Ca -0.01 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1amu h LEU 77 Cb 0.25 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1amu h LEU 77 CO 0.01 0.35 0.28 0.00 -0.34 0.00 0.00 178.44 178.74 1amu h ALA 78 N 1.65 0.82 -0.97 1.25 0.00 -0.69 -2.05 119.26 119.27 1amu h ALA 78 Ca -0.00 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1amu h ALA 78 Cb 0.67 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 1amu h ALA 78 CO 0.05 0.41 0.64 0.00 0.00 0.00 0.00 179.25 180.35 1amu h ARG 79 N 0.88 1.25 -0.42 0.00 3.08 -0.96 -0.77 114.38 117.44 1amu h ARG 79 Ca 0.21 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1amu h ARG 79 Cb 0.17 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 1amu h ARG 79 CO -0.02 0.83 0.23 0.82 -1.07 0.00 0.00 179.97 180.76 1amu h ILE 80 N 1.29 1.16 -0.79 2.04 2.04 -1.37 -2.71 117.51 119.16 1amu h ILE 80 Ca 0.36 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.83 1amu h ILE 80 Cb -0.11 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 1amu h ILE 80 CO -0.09 0.16 0.52 -0.26 0.00 0.00 0.00 178.15 178.49 1amu h PHE 81 N 0.55 1.00 -0.51 1.37 0.04 -0.61 -2.75 116.94 116.03 1amu h PHE 81 Ca 0.15 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.97 1amu h PHE 81 Cb 0.06 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 37.84 1amu h PHE 81 CO -0.02 0.63 0.30 0.82 -0.60 0.00 0.00 178.31 179.44 1amu h ILE 82 N 1.07 1.04 -0.76 -0.55 2.04 -0.93 -2.33 117.51 117.09 1amu h ILE 82 Ca 0.29 -0.20 0.09 0.00 1.00 0.00 0.00 64.86 66.04 1amu h ILE 82 Cb -0.12 0.40 -0.07 0.00 -0.74 0.00 0.00 36.82 36.29 1amu h ILE 82 CO -0.06 0.11 0.41 -0.33 0.00 0.00 0.00 178.15 178.27 1amu h GLU 83 N 0.59 0.67 0.00 2.37 5.08 -1.20 -2.82 114.58 119.28 1amu h GLU 83 Ca 0.20 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.44 1amu h GLU 83 Cb 0.03 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1amu h GLU 83 CO -0.10 0.45 -0.42 0.87 -1.00 0.00 0.00 179.01 178.81 1amu h LYS 84 N 0.70 0.00 0.00 2.33 1.57 -1.27 -3.46 116.57 116.43 1amu h LYS 84 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1amu h LYS 84 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1amu h LYS 84 CO -0.25 0.42 0.00 0.41 -0.57 0.00 0.00 179.45 179.46 1amu n GLY 85 N -0.02 -0.57 3.69 3.86 0.00 -1.05 -5.12 105.19 105.97 1amu n GLY 85 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1amu n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1amu s ILE 86 N -0.39 4.25 0.00 -0.61 -1.09 -0.95 -4.95 121.20 117.46 1amu s ILE 86 Ca 0.00 1.58 0.00 0.00 -2.23 0.00 0.00 60.65 60.00 1amu s ILE 86 Cb 0.00 -4.01 0.00 0.00 -1.58 0.00 0.00 42.46 36.87 1amu s ILE 86 CO 0.00 -0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.31 1amu n GLY 87 N 3.37 3.28 3.53 6.18 0.00 -1.26 -4.45 105.19 115.84 1amu n GLY 87 Ca 0.11 -0.49 -0.63 0.00 0.00 0.00 0.00 46.02 45.01 1amu n GLY 87 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1amu n LYS 88 N 0.00 0.00 -0.34 1.61 -0.00 -1.20 -1.56 118.16 116.67 1amu n LYS 88 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1amu n LYS 88 Cb 0.00 -1.43 0.00 0.00 -0.00 0.00 0.00 35.03 33.60 1amu n LYS 88 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1amu n ASP 89 N 3.31 0.00 -4.74 -5.58 9.92 -1.24 -4.92 116.55 113.31 1amu n ASP 89 Ca 0.27 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 54.12 1amu n ASP 89 Cb -0.03 -1.86 -0.03 0.00 -0.64 0.00 0.00 41.12 38.57 1amu n ASP 89 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1amu s THR 90 N -0.78 3.01 -0.09 -3.53 -4.23 -0.60 -4.67 115.64 104.75 1amu s THR 90 Ca 0.00 0.83 -0.19 0.00 -1.18 0.00 0.00 61.69 61.15 1amu s THR 90 Cb 0.00 -3.53 -0.04 0.00 1.34 0.00 0.00 72.50 70.27 1amu s THR 90 CO 0.00 0.12 0.53 -0.76 -0.54 0.00 0.00 174.62 173.97 1amu s LEU 91 N -0.13 4.31 -0.22 4.79 1.43 -1.26 -1.10 118.68 126.50 1amu s LEU 91 Ca 0.58 0.93 0.01 0.00 -1.03 0.00 0.00 54.13 54.62 1amu s LEU 91 Cb -0.38 -2.79 0.04 0.00 0.03 0.00 0.00 46.19 43.09 1amu s LEU 91 CO 0.39 0.00 -0.14 -0.69 0.23 0.00 0.00 176.35 176.14 1amu s VAL 92 N 0.50 2.21 0.39 -1.59 1.01 0.11 -3.15 120.40 119.89 1amu s VAL 92 Ca 0.29 -1.24 -0.25 0.00 0.00 0.00 0.00 61.98 60.78 1amu s VAL 92 Cb -0.16 -2.11 -0.09 0.00 0.00 0.00 0.00 36.38 34.02 1amu s VAL 92 CO 0.13 0.26 1.08 -0.83 0.00 0.00 0.00 175.10 175.74 1amu s GLY 93 N 1.22 2.79 -0.12 4.51 0.00 0.02 -0.52 107.32 115.21 1amu s GLY 93 Ca -0.01 0.77 0.00 0.00 0.00 0.00 0.00 44.72 45.48 1amu s GLY 93 CO -0.09 1.23 -0.11 -0.42 0.00 0.00 0.00 173.10 173.71 1amu s ILE 94 N -1.57 1.30 -0.47 0.90 1.01 -0.64 -0.48 121.20 121.25 1amu s ILE 94 Ca 0.57 -0.48 0.03 0.00 0.00 0.00 0.00 60.65 60.77 1amu s ILE 94 Cb -0.25 -1.25 0.14 0.00 0.01 0.00 0.00 42.46 41.12 1amu s ILE 94 CO 0.31 0.41 0.28 -0.32 0.00 0.00 0.00 174.94 175.62 1amu s MET 95 N 1.45 1.41 0.05 2.79 1.75 0.23 -0.91 119.30 126.07 1amu s MET 95 Ca 0.02 -2.19 0.01 0.00 -1.25 0.00 0.00 55.69 52.28 1amu s MET 95 Cb -0.13 -2.40 -0.03 0.00 2.84 0.00 0.00 34.83 35.11 1amu s MET 95 CO -0.07 -1.20 -0.06 -1.64 -0.65 0.00 0.00 175.02 171.40 1amu s MET 96 N 0.09 0.58 0.60 4.11 -1.94 -1.26 -4.00 119.30 117.49 1amu s MET 96 Ca 0.20 -0.96 -0.19 0.00 -1.71 0.00 0.00 55.69 53.03 1amu s MET 96 Cb -0.19 -0.12 -0.04 0.00 2.01 0.00 0.00 34.83 36.49 1amu s MET 96 CO -0.04 -0.01 1.07 0.39 -0.01 0.00 0.00 175.02 176.42 1amu n GLU 97 N 0.87 1.02 -1.88 2.03 -0.58 -1.26 -4.60 120.64 116.24 1amu n GLU 97 Ca -0.19 0.40 -0.42 0.00 -0.42 0.00 0.00 57.16 56.53 1amu n GLU 97 Cb 0.57 -2.28 -0.03 0.00 -0.57 0.00 0.00 31.44 29.14 1amu n GLU 97 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1amu s LYS 98 N -2.88 3.06 0.17 3.49 2.20 -1.26 -4.39 119.74 120.13 1amu s LYS 98 Ca 0.77 1.43 -0.24 0.00 -0.36 0.00 0.00 55.97 57.57 1amu s LYS 98 Cb -0.41 -4.30 0.07 0.00 -1.51 0.00 0.00 37.83 31.68 1amu s LYS 98 CO 0.46 -2.18 0.98 -1.54 -0.36 0.00 0.00 175.35 172.71 1amu s SER 99 N 7.46 -0.11 0.25 1.43 1.04 -1.26 -4.98 113.70 117.53 1amu s SER 99 Ca 0.84 -0.52 -0.06 0.00 0.48 0.00 0.00 55.95 56.69 1amu s SER 99 Cb -0.23 0.50 0.25 0.00 0.10 0.00 0.00 66.02 66.65 1amu s SER 99 CO 0.31 -0.96 1.89 0.40 0.98 0.00 0.00 173.24 175.87 1amu h ILE 100 N 2.00 1.26 -0.74 -1.02 2.04 -1.95 -2.50 117.51 116.60 1amu h ILE 100 Ca -0.26 -0.56 0.10 0.00 1.00 0.00 0.00 64.86 65.14 1amu h ILE 100 Cb 1.23 -0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 1amu h ILE 100 CO 0.29 0.27 0.49 0.44 0.00 0.00 0.00 178.15 179.64 1amu h ASP 101 N 1.28 0.57 -0.80 1.72 3.32 -1.96 -1.08 116.42 119.47 1amu h ASP 101 Ca 0.33 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.45 1amu h ASP 101 Cb -0.05 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.34 1amu h ASP 101 CO -0.06 0.34 0.50 0.25 -1.72 0.00 0.00 179.24 178.54 1amu h LEU 102 N 0.63 0.80 -0.11 1.55 5.85 -1.65 -1.39 115.31 120.98 1amu h LEU 102 Ca 0.34 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.91 1amu h LEU 102 Cb 0.50 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1amu h LEU 102 CO -0.12 0.53 -0.79 -0.26 -0.34 0.00 0.00 178.44 177.45 1amu h PHE 103 N 0.94 0.00 -0.39 1.25 0.04 -1.29 -1.86 116.94 115.62 1amu h PHE 103 Ca 0.34 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.10 1amu h PHE 103 Cb 0.11 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 1amu h PHE 103 CO -0.04 0.79 0.22 0.82 -0.60 0.00 0.00 178.31 179.51 1amu h ILE 104 N 0.00 1.14 -0.39 -0.55 2.04 -1.19 -1.45 117.51 117.11 1amu h ILE 104 Ca -0.01 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.52 1amu h ILE 104 Cb 1.56 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 1amu h ILE 104 CO 0.10 0.15 0.22 1.23 0.00 0.00 0.00 178.15 179.85 1amu h GLY 105 N 0.51 0.54 0.95 5.37 0.00 -0.99 0.81 103.07 110.26 1amu h GLY 105 Ca 0.14 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 1amu h GLY 105 CO -0.02 0.13 0.08 -2.22 0.00 0.00 0.00 176.54 174.50 1amu h ILE 106 N 0.44 1.08 -0.40 2.60 2.04 -1.20 -1.51 117.51 120.56 1amu h ILE 106 Ca 0.16 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 1amu h ILE 106 Cb 0.04 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1amu h ILE 106 CO -0.09 0.08 0.09 -0.07 0.00 0.00 0.00 178.15 178.15 1amu h LEU 107 N 0.13 0.55 -0.49 1.44 3.38 -0.98 -1.90 115.31 117.44 1amu h LEU 107 Ca 0.05 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1amu h LEU 107 Cb 0.06 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1amu h LEU 107 CO -0.01 0.56 0.07 0.00 0.09 0.00 0.00 178.44 179.15 1amu h ALA 108 N 1.52 0.66 -0.59 1.53 0.00 -0.55 0.58 119.26 122.41 1amu h ALA 108 Ca 0.13 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1amu h ALA 108 Cb 0.24 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1amu h ALA 108 CO -0.00 0.40 0.26 0.28 0.00 0.00 0.00 179.25 180.19 1amu h VAL 109 N 0.70 1.22 -0.39 0.00 2.07 -0.87 -1.37 116.25 117.60 1amu h VAL 109 Ca 0.15 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 1amu h VAL 109 Cb 0.41 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1amu h VAL 109 CO 0.01 0.26 0.09 -0.07 0.02 0.00 0.00 177.57 177.88 1amu h LEU 110 N 0.80 0.60 -1.54 2.57 3.38 -1.11 -1.15 115.31 118.86 1amu h LEU 110 Ca 0.20 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1amu h LEU 110 Cb 0.16 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1amu h LEU 110 CO -0.02 0.68 -0.15 0.11 0.09 0.00 0.00 178.44 179.15 1amu h LYS 111 N 0.49 0.10 0.00 1.13 1.57 -0.68 -1.39 116.57 117.80 1amu h LYS 111 Ca 0.12 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1amu h LYS 111 Cb 0.32 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1amu h LYS 111 CO 0.00 0.26 0.00 0.00 -0.57 0.00 0.00 179.45 179.15 1amu n ALA 112 N -2.50 2.12 -0.17 3.86 0.00 -0.54 -4.70 120.51 118.59 1amu n ALA 112 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1amu n ALA 112 Cb 0.25 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1amu n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1amu n GLY 113 N 1.02 0.81 0.00 0.00 0.00 -0.52 -4.20 105.19 102.31 1amu n GLY 113 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1amu n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1amu n GLY 114 N -2.12 1.66 3.07 -0.02 0.00 -0.46 -3.20 105.19 104.13 1amu n GLY 114 Ca 0.00 -2.08 -0.22 0.00 0.00 0.00 0.00 46.02 43.71 1amu n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1amu s ALA 115 N -2.17 1.13 0.07 4.61 0.00 -0.26 -4.25 121.76 120.89 1amu s ALA 115 Ca 0.00 -0.51 -0.06 0.00 0.00 0.00 0.00 51.96 51.39 1amu s ALA 115 Cb 0.00 -0.36 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 1amu s ALA 115 CO 0.00 0.22 0.32 1.52 0.00 0.00 0.00 175.76 177.82 1amu s TYR 116 N -0.01 3.54 -0.45 0.00 1.13 -0.73 -0.71 117.35 120.12 1amu s TYR 116 Ca -0.01 0.57 0.01 0.00 -1.41 0.00 0.00 57.07 56.23 1amu s TYR 116 Cb -0.08 -2.00 0.12 0.00 -1.10 0.00 0.00 41.96 38.90 1amu s TYR 116 CO 0.01 0.53 0.21 0.08 -2.51 0.00 0.00 175.55 173.87 1amu s VAL 117 N -1.46 2.86 0.14 -3.49 1.01 0.32 -1.55 120.40 118.23 1amu s VAL 117 Ca 0.34 -2.63 -0.31 0.00 0.00 0.00 0.00 61.98 59.38 1amu s VAL 117 Cb -0.13 -2.99 -0.08 0.00 0.00 0.00 0.00 36.38 33.18 1amu s VAL 117 CO 0.21 -0.72 1.38 -2.16 0.00 0.00 0.00 175.10 173.81 1amu s PRO 118 N 0.49 4.33 -0.25 2.72 0.04 -1.26 -1.63 135.00 139.44 1amu s PRO 118 Ca 0.13 2.09 0.01 0.00 0.04 0.00 0.00 61.00 63.27 1amu s PRO 118 Cb -0.22 -3.23 0.07 0.00 0.04 0.00 0.00 34.50 31.16 1amu s PRO 118 CO -0.04 -0.41 -0.04 0.42 0.04 0.00 0.00 177.00 176.97 1amu s ILE 119 N 0.87 1.68 0.08 0.56 1.01 -0.09 -4.59 121.20 120.73 1amu s ILE 119 Ca 0.63 -1.42 -0.31 0.00 0.00 0.00 0.00 60.65 59.55 1amu s ILE 119 Cb -0.37 -1.97 -0.09 0.00 0.01 0.00 0.00 42.46 40.04 1amu s ILE 119 CO 0.32 -0.17 1.76 -0.62 0.00 0.00 0.00 174.94 176.22 1amu s ASP 120 N 1.30 6.52 0.51 3.58 -1.08 -1.26 -4.31 116.67 121.93 1amu s ASP 120 Ca -0.04 2.59 0.16 0.00 -0.52 0.00 0.00 52.55 54.75 1amu s ASP 120 Cb -0.19 -2.56 1.24 0.00 -1.46 0.00 0.00 42.92 39.95 1amu s ASP 120 CO -0.07 -0.95 2.13 0.16 0.52 0.00 0.00 175.17 176.95 1amu h ILE 121 N 4.91 1.01 0.00 4.11 3.07 -1.92 0.49 117.51 129.18 1amu h ILE 121 Ca -0.44 -0.09 0.00 0.00 1.55 0.00 0.00 64.86 65.88 1amu h ILE 121 Cb 1.21 1.05 0.00 0.00 -0.27 0.00 0.00 36.82 38.81 1amu h ILE 121 CO 0.94 0.03 0.00 -0.62 -1.05 0.00 0.00 178.15 177.44 1amu n GLU 122 N -4.50 0.38 -2.98 0.16 -0.58 -1.26 -4.72 120.64 107.14 1amu n GLU 122 Ca -0.03 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.32 1amu n GLU 122 Cb 0.11 -1.41 -0.06 0.00 -0.57 0.00 0.00 31.44 29.51 1amu n GLU 122 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1amu s TYR 123 N -2.00 3.87 0.61 -0.32 1.51 0.16 -5.07 117.35 116.11 1amu s TYR 123 Ca 0.15 1.59 -0.16 0.00 -1.01 0.00 0.00 57.07 57.65 1amu s TYR 123 Cb 0.07 -2.78 -0.03 0.00 -0.11 0.00 0.00 41.96 39.11 1amu s TYR 123 CO 0.12 0.46 1.07 -2.14 -1.11 0.00 0.00 175.55 173.95 1amu s PRO 124 N -0.88 3.21 0.21 -1.71 0.02 -1.26 -4.75 135.00 129.84 1amu s PRO 124 Ca 0.36 1.26 -0.21 0.00 0.02 0.00 0.00 61.00 62.43 1amu s PRO 124 Cb -0.22 -2.01 0.16 0.00 0.02 0.00 0.00 34.50 32.44 1amu s PRO 124 CO 0.25 -0.91 1.52 0.36 -0.33 0.00 0.00 177.00 177.90 1amu n LYS 125 N -2.09 -0.28 -0.30 5.54 0.00 -1.26 -1.14 118.16 118.63 1amu n LYS 125 Ca 0.09 1.51 0.12 0.00 -0.00 0.00 0.00 58.31 60.03 1amu n LYS 125 Cb 0.53 -2.23 0.28 0.00 -0.00 0.00 0.00 35.03 33.60 1amu n LYS 125 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1amu h GLU 126 N 0.00 0.19 0.00 -1.58 -0.00 -1.98 1.00 114.58 112.22 1amu h GLU 126 Ca 0.30 -0.01 -0.26 0.00 -0.00 0.00 0.00 59.36 59.39 1amu h GLU 126 Cb 0.54 -0.04 -0.04 0.00 -0.00 0.00 0.00 28.75 29.20 1amu h GLU 126 CO -0.96 0.13 -1.58 0.07 -0.00 0.00 0.00 179.01 176.67 1amu h ARG 127 N 0.20 0.00 -0.52 1.06 -0.00 -1.50 -2.24 114.38 111.37 1amu h ARG 127 Ca 0.54 0.00 -0.12 0.00 -0.00 0.00 0.00 59.98 60.41 1amu h ARG 127 Cb 1.09 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 31.04 1amu h ARG 127 CO -0.66 0.48 -0.13 0.82 -0.00 0.00 0.00 179.97 180.49 1amu h ILE 128 N 0.00 1.27 -0.06 0.08 2.04 -0.59 -2.90 117.51 117.35 1amu h ILE 128 Ca -0.24 -1.28 0.03 0.00 1.00 0.00 0.00 64.86 64.37 1amu h ILE 128 Cb 1.90 1.02 -0.06 0.00 -0.74 0.00 0.00 36.82 38.93 1amu h ILE 128 CO 0.08 0.45 -0.50 -0.61 0.00 0.00 0.00 178.15 177.56 1amu h GLN 129 N 0.87 -0.58 -0.76 2.37 5.75 0.98 -2.38 115.11 121.36 1amu h GLN 129 Ca 0.13 0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.70 1amu h GLN 129 Cb 0.70 0.13 -0.05 0.00 1.07 0.00 0.00 27.48 29.33 1amu h GLN 129 CO 0.05 -0.39 0.48 -0.92 -2.65 0.00 0.00 178.83 175.41 1amu h TYR 130 N -0.61 0.91 0.32 3.99 3.20 -1.36 -1.24 116.97 122.18 1amu h TYR 130 Ca 0.04 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1amu h TYR 130 Cb 0.69 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 1amu h TYR 130 CO -0.52 0.52 -0.18 0.82 -1.64 0.00 0.00 178.16 177.16 1amu h ILE 131 N 0.95 0.62 0.00 1.81 2.04 -1.30 0.28 117.51 121.91 1amu h ILE 131 Ca 0.30 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.13 1amu h ILE 131 Cb 0.00 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 1amu h ILE 131 CO -0.11 0.00 -0.13 -0.07 0.00 0.00 0.00 178.15 177.84 1amu h LEU 132 N -0.48 0.00 0.10 1.44 3.38 -1.23 -0.83 115.31 117.69 1amu h LEU 132 Ca -0.04 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.71 1amu h LEU 132 Cb 0.39 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.16 1amu h LEU 132 CO 0.05 0.13 -0.94 0.44 0.09 0.00 0.00 178.44 178.20 1amu h ASP 133 N 0.00 0.67 0.02 -0.43 3.32 -0.69 -2.85 116.42 116.46 1amu h ASP 133 Ca -0.00 -0.84 -0.00 0.00 0.02 0.00 0.00 57.03 56.20 1amu h ASP 133 Cb 0.26 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1amu h ASP 133 CO 0.02 1.44 -0.01 -0.78 -1.72 0.00 0.00 179.24 178.19 1amu h ASP 134 N -0.02 -0.02 -0.13 6.45 3.58 -0.20 -3.31 116.42 122.76 1amu h ASP 134 Ca -0.15 -0.70 -0.05 0.00 0.42 0.00 0.00 57.03 56.55 1amu h ASP 134 Cb 1.67 0.01 -0.02 0.00 1.72 0.00 0.00 39.33 42.71 1amu h ASP 134 CO 0.18 0.72 -0.06 0.77 -2.88 0.00 0.00 179.24 177.97 1amu h SER 135 N -0.80 0.40 -6.19 2.28 4.64 -1.33 -3.47 113.55 109.08 1amu h SER 135 Ca -0.00 -0.08 -0.45 0.00 -0.47 0.00 0.00 61.79 60.79 1amu h SER 135 Cb 0.72 -0.11 0.01 0.00 -0.31 0.00 0.00 62.40 62.72 1amu h SER 135 CO 0.00 0.51 -0.79 0.00 -0.87 0.00 0.00 176.83 175.69 1amu n GLN 136 N -4.27 -5.40 -1.78 4.77 3.00 -1.08 -4.88 117.38 107.75 1amu n GLN 136 Ca 0.01 0.62 -0.42 0.00 -0.01 0.00 0.00 57.00 57.20 1amu n GLN 136 Cb 0.26 -5.38 -0.02 0.00 0.00 0.00 0.00 30.24 25.11 1amu n GLN 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1amu s ALA 137 N -3.46 3.81 -1.33 -1.58 0.00 -1.26 -4.90 121.76 113.03 1amu s ALA 137 Ca 0.37 1.56 0.28 0.00 0.00 0.00 0.00 51.96 54.18 1amu s ALA 137 Cb -0.19 -3.66 1.36 0.00 0.00 0.00 0.00 23.12 20.64 1amu s ALA 137 CO 0.82 -0.95 1.95 2.89 0.00 0.00 0.00 175.76 180.46 1amu n ARG 138 N 2.82 0.31 -3.78 0.00 1.85 -1.19 -4.80 116.66 111.87 1amu n ARG 138 Ca 0.11 0.02 -0.13 0.00 -1.00 0.00 0.00 57.85 56.85 1amu n ARG 138 Cb 0.37 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 30.19 1amu n ARG 138 CO 0.00 0.00 0.00 1.41 -0.01 0.00 0.00 177.63 179.03 1amu s MET 139 N -2.67 0.62 -0.17 2.89 0.00 -1.25 -2.27 119.30 116.45 1amu s MET 139 Ca 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 55.69 55.70 1amu s MET 139 Cb 0.19 0.27 0.05 0.00 0.00 0.00 0.00 34.83 35.34 1amu s MET 139 CO 0.44 -0.17 -0.02 -1.17 0.00 0.00 0.00 175.02 174.10 1amu s LEU 140 N -1.30 1.46 -0.17 4.11 2.96 -0.96 -0.80 118.68 123.98 1amu s LEU 140 Ca -0.13 -0.68 -0.21 0.00 -0.22 0.00 0.00 54.13 52.89 1amu s LEU 140 Cb -0.06 -0.80 -0.03 0.00 0.50 0.00 0.00 46.19 45.81 1amu s LEU 140 CO 0.04 -0.22 0.63 -0.22 -1.32 0.00 0.00 176.35 175.26 1amu s LEU 141 N 1.71 4.18 0.00 -0.68 2.96 0.36 -1.12 118.68 126.09 1amu s LEU 141 Ca 0.00 0.89 0.00 0.00 -0.22 0.00 0.00 54.13 54.80 1amu s LEU 141 Cb -0.16 -2.91 0.00 0.00 0.50 0.00 0.00 46.19 43.62 1amu s LEU 141 CO -0.07 -0.24 0.25 1.07 -1.32 0.00 0.00 176.35 176.04 1amu n THR 142 N 4.50 0.00 -4.35 3.68 5.66 -0.44 -0.60 114.28 122.72 1amu n THR 142 Ca -0.02 -1.07 -0.24 0.00 -3.05 0.00 0.00 64.05 59.67 1amu n THR 142 Cb 0.50 0.63 -0.08 0.00 -1.55 0.00 0.00 70.33 69.82 1amu n THR 142 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1amu s GLN 143 N -2.51 2.06 0.16 1.09 -0.21 -1.26 -0.82 119.66 118.17 1amu s GLN 143 Ca 0.18 -1.63 -0.23 0.00 0.02 0.00 0.00 55.36 53.70 1amu s GLN 143 Cb -0.00 -1.98 0.04 0.00 1.00 0.00 0.00 33.01 32.07 1amu s GLN 143 CO 0.13 0.27 1.62 1.57 -2.12 0.00 0.00 175.29 176.75 1amu h LYS 144 N 1.95 -0.25 0.00 2.91 5.09 -1.97 -2.34 116.57 121.96 1amu h LYS 144 Ca -0.43 0.02 -0.04 0.00 0.09 0.00 0.00 60.65 60.29 1amu h LYS 144 Cb 1.25 0.06 -0.01 0.00 0.10 0.00 0.00 32.23 33.64 1amu h LYS 144 CO 0.63 -0.17 -0.17 1.12 -2.09 0.00 0.00 179.45 178.76 1amu h HIS 145 N -0.26 0.00 -0.01 0.07 2.07 -2.02 -3.10 115.15 111.90 1amu h HIS 145 Ca 0.15 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.67 1amu h HIS 145 Cb 0.50 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.48 1amu h HIS 145 CO -0.45 0.17 -0.17 1.28 -3.07 0.00 0.00 177.93 175.69 1amu n LEU 146 N -3.42 0.69 0.01 6.12 4.77 -0.89 -4.31 117.00 119.97 1amu n LEU 146 Ca -0.00 -0.10 0.14 0.00 -0.03 0.00 0.00 56.01 56.02 1amu n LEU 146 Cb 0.36 -0.16 0.59 0.00 -2.33 0.00 0.00 43.42 41.88 1amu n LEU 146 CO 0.32 0.13 1.16 -0.37 -1.33 0.00 0.00 177.39 177.30 1amu h VAL 147 N 0.82 0.86 -0.89 4.08 -1.51 -1.47 -1.65 116.25 116.49 1amu h VAL 147 Ca 0.00 -0.06 0.06 0.00 -1.23 0.00 0.00 66.70 65.46 1amu h VAL 147 Cb 0.42 0.65 -0.06 0.00 -2.13 0.00 0.00 31.29 30.18 1amu h VAL 147 CO 0.00 0.03 0.58 1.12 -1.23 0.00 0.00 177.57 178.08 1amu h HIS 148 N 0.19 1.03 0.00 5.19 2.07 -1.85 -1.51 115.15 120.28 1amu h HIS 148 Ca 0.22 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.76 1amu h HIS 148 Cb 0.61 -0.34 0.00 0.00 2.57 0.00 0.00 27.41 30.25 1amu h HIS 148 CO -0.00 0.55 0.20 1.28 -3.07 0.00 0.00 177.93 176.89 1amu n LEU 149 N -4.48 0.32 -0.91 6.12 4.77 -0.62 -0.38 117.00 121.82 1amu n LEU 149 Ca 0.13 0.56 0.08 0.00 -0.03 0.00 0.00 56.01 56.75 1amu n LEU 149 Cb 0.18 -0.54 0.22 0.00 -2.33 0.00 0.00 43.42 40.95 1amu n LEU 149 CO 0.33 -0.67 0.69 -0.38 -1.33 0.00 0.00 177.39 176.03 1amu n ILE 150 N -1.95 1.11 0.05 -0.08 5.41 -0.57 -4.54 119.36 118.78 1amu n ILE 150 Ca -0.01 -1.05 -0.13 0.00 1.00 0.00 0.00 62.75 62.56 1amu n ILE 150 Cb 0.22 0.44 -0.09 0.00 -0.71 0.00 0.00 39.64 39.51 1amu n ILE 150 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 176.55 177.67 1amu h HIS 151 N 2.78 -0.12 0.00 1.39 2.07 -0.83 -3.46 115.15 116.97 1amu h HIS 151 Ca 0.00 -0.00 -0.28 0.00 -2.85 0.00 0.00 60.37 57.24 1amu h HIS 151 Cb 0.88 0.04 -0.01 0.00 2.57 0.00 0.00 27.41 30.89 1amu h HIS 151 CO 0.35 0.26 1.40 0.27 -3.07 0.00 0.00 177.93 177.14 1amu n ASN 152 N -4.97 4.55 -3.95 3.10 6.94 -1.26 -5.06 115.26 114.62 1amu n ASN 152 Ca -0.09 -2.25 -0.31 0.00 -0.02 0.00 0.00 54.58 51.92 1amu n ASN 152 Cb 0.23 -1.05 -0.15 0.00 -2.36 0.00 0.00 39.78 36.44 1amu n ASN 152 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1amu s GLN 154 N 2.44 1.51 -0.29 -3.83 1.03 -1.26 -5.10 119.66 114.16 1amu s GLN 154 Ca 0.44 -1.31 -0.15 0.00 0.04 0.00 0.00 55.36 54.39 1amu s GLN 154 Cb 0.16 -2.71 0.12 0.00 0.03 0.00 0.00 33.01 30.61 1amu s GLN 154 CO -0.02 -0.76 0.79 0.12 -2.54 0.00 0.00 175.29 172.88 1amu s PHE 155 N 1.25 -0.96 -0.36 9.60 5.36 -1.26 -4.85 117.98 126.76 1amu s PHE 155 Ca 0.01 1.83 0.01 0.00 -0.96 0.00 0.00 56.93 57.81 1amu s PHE 155 Cb -0.19 0.57 0.11 0.00 -0.34 0.00 0.00 43.02 43.18 1amu s PHE 155 CO -0.10 -0.48 0.15 0.54 -1.46 0.00 0.00 175.22 173.88 1amu s ASN 156 N 1.90 3.91 -0.02 6.13 4.22 -1.26 -5.08 114.94 124.75 1amu s ASN 156 Ca -0.08 -2.07 -0.29 0.00 -2.14 0.00 0.00 52.86 48.28 1amu s ASN 156 Cb -0.06 -0.97 0.08 0.00 1.28 0.00 0.00 41.25 41.57 1amu s ASN 156 CO -0.18 -0.35 0.70 -0.83 -2.04 0.00 0.00 177.10 174.40 1amu s GLY 157 N 1.07 -0.55 -0.45 0.45 0.00 -1.26 -4.96 107.32 101.61 1amu s GLY 157 Ca 0.13 1.22 -0.31 0.00 0.00 0.00 0.00 44.72 45.76 1amu s GLY 157 CO -0.13 0.79 2.32 -1.06 0.00 0.00 0.00 173.10 175.02 1amu n GLN 158 N 0.60 1.06 -2.75 2.90 6.02 -0.96 -4.75 117.38 119.50 1amu n GLN 158 Ca -0.17 0.21 -0.42 0.00 -0.01 0.00 0.00 57.00 56.61 1amu n GLN 158 Cb 0.59 -2.71 -0.03 0.00 1.02 0.00 0.00 30.24 29.11 1amu n GLN 158 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1amu s VAL 159 N 8.95 4.11 -0.35 5.09 1.01 -1.26 -2.26 120.40 135.69 1amu s VAL 159 Ca 1.09 -0.13 -0.23 0.00 0.00 0.00 0.00 61.98 62.70 1amu s VAL 159 Cb -0.66 -4.78 0.01 0.00 0.00 0.00 0.00 36.38 30.95 1amu s VAL 159 CO 0.41 -1.61 0.77 -1.61 0.00 0.00 0.00 175.10 173.06 1amu s GLU 160 N 4.63 3.78 -0.21 2.72 0.41 -0.27 -4.98 118.70 124.78 1amu s GLU 160 Ca 0.27 0.33 -0.21 0.00 -0.41 0.00 0.00 54.97 54.95 1amu s GLU 160 Cb -0.13 -3.80 -0.02 0.00 -1.78 0.00 0.00 34.13 28.40 1amu s GLU 160 CO 0.11 -0.82 0.67 0.42 -0.49 0.00 0.00 175.26 175.15 1amu s ILE 161 N 3.05 4.99 0.02 -1.63 1.01 -1.26 -1.33 121.20 126.04 1amu s ILE 161 Ca 0.31 1.25 -0.05 0.00 0.00 0.00 0.00 60.65 62.17 1amu s ILE 161 Cb -0.13 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 1amu s ILE 161 CO 0.16 0.08 1.08 0.15 0.00 0.00 0.00 174.94 176.41 1amu h PHE 162 N 7.54 -0.24 0.00 3.97 3.57 -1.34 -3.45 116.94 126.99 1amu h PHE 162 Ca -0.30 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.21 1amu h PHE 162 Cb 1.14 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.98 1amu h PHE 162 CO 0.72 -0.08 0.00 0.39 -2.23 0.00 0.00 178.31 177.12 1amu n GLU 163 N -3.02 0.00 -3.64 1.11 1.02 -1.26 -4.81 120.64 110.04 1amu n GLU 163 Ca -0.01 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.74 1amu n GLU 163 Cb 0.05 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.38 1amu n GLU 163 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1amu s GLU 164 N 0.00 2.31 -0.00 3.49 8.01 -1.26 -4.46 118.70 126.78 1amu s GLU 164 Ca 0.00 -1.81 0.08 0.00 0.01 0.00 0.00 54.97 53.25 1amu s GLU 164 Cb 0.00 -3.80 -0.09 0.00 -4.31 0.00 0.00 34.13 25.93 1amu s GLU 164 CO 0.00 -1.15 0.29 -0.25 0.01 0.00 0.00 175.26 174.16 1amu n ASP 165 N 4.76 1.09 0.03 -0.19 9.92 -1.26 -4.26 116.55 126.63 1amu n ASP 165 Ca -0.05 -0.51 -0.09 0.00 -0.53 0.00 0.00 54.79 53.61 1amu n ASP 165 Cb 0.41 1.09 -0.13 0.00 -0.64 0.00 0.00 41.12 41.85 1amu n ASP 165 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1amu h THR 166 N 0.00 1.36 -0.05 -3.53 2.02 -1.91 -3.33 112.91 107.46 1amu h THR 166 Ca 0.00 -3.11 -0.21 0.00 0.77 0.00 0.00 66.41 63.86 1amu h THR 166 Cb 0.23 2.70 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 1amu h THR 166 CO 0.00 0.79 -0.84 0.40 0.37 0.00 0.00 175.52 176.24 1amu h ILE 167 N 0.01 1.37 0.00 3.11 1.08 -1.88 -3.14 117.51 118.05 1amu h ILE 167 Ca -0.13 -2.25 0.00 0.00 -0.39 0.00 0.00 64.86 62.09 1amu h ILE 167 Cb 1.88 2.24 0.00 0.00 -3.07 0.00 0.00 36.82 37.87 1amu h ILE 167 CO 0.12 0.68 0.00 2.29 -0.69 0.00 0.00 178.15 180.55 1amu n LYS 168 N -3.81 0.01 0.00 2.37 -0.00 -1.25 -2.43 118.16 113.05 1amu n LYS 168 Ca -0.06 0.36 0.11 0.00 -0.00 0.00 0.00 58.31 58.73 1amu n LYS 168 Cb 0.77 -1.52 0.12 0.00 -0.00 0.00 0.00 35.03 34.41 1amu n LYS 168 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1amu n ILE 169 N -1.53 0.01 -3.09 0.58 -5.35 -1.19 -4.96 119.36 103.83 1amu n ILE 169 Ca 0.02 -0.01 -0.23 0.00 -0.27 0.00 0.00 62.75 62.26 1amu n ILE 169 Cb 0.10 0.48 0.00 0.00 -1.74 0.00 0.00 39.64 38.49 1amu n ILE 169 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1amu s ARG 170 N -3.01 3.20 0.41 6.28 1.81 -1.02 -5.07 118.95 121.55 1amu s ARG 170 Ca 0.10 -0.43 -0.25 0.00 -1.72 0.00 0.00 55.73 53.42 1amu s ARG 170 Cb 0.17 -2.59 -0.08 0.00 -0.45 0.00 0.00 34.95 32.00 1amu s ARG 170 CO 0.76 -0.15 1.21 -1.21 -0.68 0.00 0.00 175.30 175.23 1amu s GLU 171 N -4.49 3.98 0.00 3.54 0.41 -1.26 -4.88 118.70 116.00 1amu s GLU 171 Ca 0.46 1.93 0.15 0.00 -0.41 0.00 0.00 54.97 57.10 1amu s GLU 171 Cb -0.10 -2.66 0.42 0.00 -1.78 0.00 0.00 34.13 30.01 1amu s GLU 171 CO 0.37 -0.41 1.35 0.41 -0.49 0.00 0.00 175.26 176.50 1amu n GLY 172 N 0.63 2.65 3.80 -1.39 0.00 -1.26 -3.82 105.19 105.79 1amu n GLY 172 Ca 0.05 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 1amu n GLY 172 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1amu s THR 173 N -1.00 3.69 0.39 2.61 -4.23 -1.26 -4.32 115.64 111.51 1amu s THR 173 Ca 0.32 0.60 -0.27 0.00 -1.18 0.00 0.00 61.69 61.16 1amu s THR 173 Cb 0.17 -3.20 -0.09 0.00 1.34 0.00 0.00 72.50 70.72 1amu s THR 173 CO 0.22 -0.67 1.33 0.20 -0.54 0.00 0.00 174.62 175.16 1amu s ASN 174 N -3.43 6.37 0.74 3.99 0.01 -1.26 -4.85 114.94 116.51 1amu s ASN 174 Ca 0.61 2.71 -0.12 0.00 -0.71 0.00 0.00 52.86 55.35 1amu s ASN 174 Cb -0.16 -2.64 0.03 0.00 0.41 0.00 0.00 41.25 38.89 1amu s ASN 174 CO 0.52 -0.81 1.12 -0.76 -1.51 0.00 0.00 177.10 175.65 1amu s LEU 175 N -2.30 2.78 -0.28 0.60 1.02 -1.26 -5.00 118.68 114.23 1amu s LEU 175 Ca 0.55 1.07 0.07 0.00 0.02 0.00 0.00 54.13 55.84 1amu s LEU 175 Cb -0.39 -3.78 0.45 0.00 0.02 0.00 0.00 46.19 42.49 1amu s LEU 175 CO 0.51 -1.53 1.20 0.00 0.02 0.00 0.00 176.35 176.56 1amu n HIS 176 N -3.12 2.36 -1.73 0.29 1.44 -1.26 -5.06 115.22 108.15 1amu n HIS 176 Ca 0.07 -2.12 -0.42 0.00 -2.01 0.00 0.00 57.72 53.24 1amu n HIS 176 Cb 0.58 -0.34 -0.03 0.00 0.12 0.00 0.00 29.99 30.32 1amu n HIS 176 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1amu s VAL 177 N -4.40 2.35 -0.96 0.61 1.01 -1.26 -4.88 120.40 112.87 1amu s VAL 177 Ca 0.49 0.05 -0.24 0.00 0.00 0.00 0.00 61.98 62.29 1amu s VAL 177 Cb 0.41 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 1amu s VAL 177 CO 0.02 0.00 1.90 -2.16 0.00 0.00 0.00 175.10 174.87 1amu s PRO 178 N 2.10 2.65 0.03 2.72 0.04 -1.26 -4.93 135.00 136.35 1amu s PRO 178 Ca 0.78 -0.50 0.04 0.00 0.04 0.00 0.00 61.00 61.36 1amu s PRO 178 Cb -0.47 -5.12 -0.03 0.00 0.04 0.00 0.00 34.50 28.91 1amu s PRO 178 CO 0.34 -3.35 -0.08 -1.12 0.04 0.00 0.00 177.00 172.84 1amu s SER 179 N 7.52 4.51 0.28 6.66 0.01 -1.26 -4.98 113.70 126.45 1amu s SER 179 Ca 0.68 -0.22 0.09 0.00 1.31 0.00 0.00 55.95 57.81 1amu s SER 179 Cb -0.05 -0.99 -0.04 0.00 0.21 0.00 0.00 66.02 65.15 1amu s SER 179 CO 0.00 0.26 0.04 -0.54 0.41 0.00 0.00 173.24 173.41 1amu s LYS 180 N -1.61 2.35 0.45 12.44 1.02 -1.26 -4.91 119.74 128.22 1amu s LYS 180 Ca 0.18 -1.43 0.31 0.00 0.02 0.00 0.00 55.97 55.04 1amu s LYS 180 Cb -0.11 -2.18 1.34 0.00 -0.52 0.00 0.00 37.83 36.36 1amu s LYS 180 CO 0.09 0.30 1.91 0.66 -0.92 0.00 0.00 175.35 177.40 1amu h SER 181 N 1.78 0.00 0.42 2.83 4.64 -1.79 -2.31 113.55 119.12 1amu h SER 181 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1amu h SER 181 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1amu h SER 181 CO 0.61 0.00 -0.15 0.35 -0.87 0.00 0.00 176.83 176.77 1amu n THR 182 N -2.75 0.00 -1.57 2.95 -2.24 -1.26 -1.02 114.28 108.39 1amu n THR 182 Ca 0.01 -0.06 -0.32 0.00 -2.27 0.00 0.00 64.05 61.41 1amu n THR 182 Cb 0.24 -0.04 0.06 0.00 -2.10 0.00 0.00 70.33 68.48 1amu n THR 182 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1amu s ASP 183 N -2.58 5.13 0.33 3.42 1.01 -0.87 -4.79 116.67 118.32 1amu s ASP 183 Ca 0.25 1.76 -0.28 0.00 0.71 0.00 0.00 52.55 54.99 1amu s ASP 183 Cb 0.20 -2.52 -0.10 0.00 1.01 0.00 0.00 42.92 41.51 1amu s ASP 183 CO 0.51 -1.61 1.19 -0.76 0.21 0.00 0.00 175.17 174.70 1amu s LEU 184 N -5.41 4.41 -0.16 1.23 1.43 -1.26 -1.93 118.68 116.99 1amu s LEU 184 Ca 0.61 2.44 -0.01 0.00 -1.03 0.00 0.00 54.13 56.13 1amu s LEU 184 Cb -0.16 -3.74 -0.09 0.00 0.03 0.00 0.00 46.19 42.22 1amu s LEU 184 CO 0.51 -0.42 -0.16 0.00 0.23 0.00 0.00 176.35 176.51 1amu n ALA 185 N 0.74 1.74 -3.17 4.21 0.00 0.38 -4.18 120.51 120.24 1amu n ALA 185 Ca 0.01 -0.66 -0.12 0.00 0.00 0.00 0.00 53.44 52.67 1amu n ALA 185 Cb 0.44 0.18 -0.04 0.00 0.00 0.00 0.00 19.45 20.03 1amu n ALA 185 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1amu s TYR 186 N -2.31 -0.33 -0.15 0.00 1.13 -1.07 -1.77 117.35 112.85 1amu s TYR 186 Ca -0.21 0.14 0.00 0.00 -1.41 0.00 0.00 57.07 55.59 1amu s TYR 186 Cb 0.06 0.34 0.03 0.00 -1.10 0.00 0.00 41.96 41.29 1amu s TYR 186 CO 0.34 -0.71 -0.11 0.08 -2.51 0.00 0.00 175.55 172.64 1amu s VAL 187 N -3.40 1.39 -0.09 -3.49 1.01 -0.59 -1.32 120.40 113.91 1amu s VAL 187 Ca 0.00 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.42 1amu s VAL 187 Cb 0.00 -1.38 -0.00 0.00 0.00 0.00 0.00 36.38 35.00 1amu s VAL 187 CO -0.09 0.35 -0.24 -0.63 0.00 0.00 0.00 175.10 174.49 1amu s ILE 188 N 1.55 2.02 0.03 2.22 1.01 -0.93 -4.09 121.20 123.01 1amu s ILE 188 Ca 0.04 -1.01 -0.24 0.00 0.00 0.00 0.00 60.65 59.44 1amu s ILE 188 Cb -0.14 -1.74 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 1amu s ILE 188 CO -0.09 0.55 0.71 -0.31 0.00 0.00 0.00 174.94 175.80 1amu s TYR 189 N 0.27 3.72 0.00 3.97 1.51 -1.26 -0.84 117.35 124.72 1amu s TYR 189 Ca -0.16 1.38 0.00 0.00 -1.01 0.00 0.00 57.07 57.28 1amu s TYR 189 Cb -0.17 -2.75 0.00 0.00 -0.11 0.00 0.00 41.96 38.92 1amu s TYR 189 CO 0.08 0.29 0.76 -2.37 -1.11 0.00 0.00 175.55 173.20 1amu n THR 190 N 2.80 0.57 0.00 -0.71 5.66 -0.30 -4.94 114.28 117.36 1amu n THR 190 Ca -0.04 -0.67 0.00 0.00 -3.05 0.00 0.00 64.05 60.30 1amu n THR 190 Cb 0.50 0.77 0.00 0.00 -1.55 0.00 0.00 70.33 70.06 1amu n THR 190 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1amu n ASN 196 N -0.29 0.00 -4.66 1.09 3.02 -1.26 -1.69 115.26 111.48 1amu n ASN 196 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 1amu n ASN 196 Cb 0.25 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.39 1amu n ASN 196 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1amu s PRO 197 N 0.00 4.12 0.15 3.52 0.04 -1.26 -4.97 135.00 136.60 1amu s PRO 197 Ca 0.00 2.45 -0.18 0.00 0.04 0.00 0.00 61.00 63.31 1amu s PRO 197 Cb 0.00 -4.11 -0.07 0.00 0.04 0.00 0.00 34.50 30.35 1amu s PRO 197 CO 0.00 -0.96 0.62 -1.59 0.04 0.00 0.00 177.00 175.11 1amu s LYS 198 N 4.39 4.18 -0.38 4.56 0.00 -0.68 -5.02 119.74 126.79 1amu s LYS 198 Ca 0.84 0.73 -0.23 0.00 0.00 0.00 0.00 55.97 57.31 1amu s LYS 198 Cb -0.39 -3.04 0.01 0.00 0.00 0.00 0.00 37.83 34.41 1amu s LYS 198 CO 0.38 0.51 0.79 0.20 0.00 0.00 0.00 175.35 177.23 1amu s GLY 199 N -1.46 1.64 -0.14 0.59 0.00 -1.26 -1.15 107.32 105.53 1amu s GLY 199 Ca 0.36 -0.71 -0.23 0.00 0.00 0.00 0.00 44.72 44.14 1amu s GLY 199 CO 0.20 1.77 0.73 -1.59 0.00 0.00 0.00 173.10 174.21 1amu s THR 200 N 3.15 4.98 -0.43 0.90 2.01 -0.02 -0.01 115.64 126.22 1amu s THR 200 Ca 0.31 1.44 -0.19 0.00 0.31 0.00 0.00 61.69 63.56 1amu s THR 200 Cb -0.13 -4.05 0.02 0.00 0.01 0.00 0.00 72.50 68.35 1amu s THR 200 CO 0.18 0.13 0.57 -0.04 -0.69 0.00 0.00 174.62 174.77 1amu s MET 201 N 1.62 3.22 -0.12 4.92 -1.94 -0.01 -2.19 119.30 124.80 1amu s MET 201 Ca 0.35 -0.51 -0.04 0.00 -1.71 0.00 0.00 55.69 53.79 1amu s MET 201 Cb -0.17 -3.96 -0.03 0.00 2.01 0.00 0.00 34.83 32.68 1amu s MET 201 CO 0.14 -0.95 0.01 -0.51 -0.01 0.00 0.00 175.02 173.69 1amu s LEU 202 N 2.57 3.58 0.64 -0.03 2.01 -0.43 -0.67 118.68 126.35 1amu s LEU 202 Ca 0.19 0.08 -0.01 0.00 0.01 0.00 0.00 54.13 54.40 1amu s LEU 202 Cb -0.15 -1.85 0.07 0.00 0.01 0.00 0.00 46.19 44.27 1amu s LEU 202 CO 0.17 0.29 0.89 -1.61 1.01 0.00 0.00 176.35 177.10 1amu s GLU 203 N -0.36 2.17 0.27 1.70 2.02 -1.26 -0.47 118.70 122.77 1amu s GLU 203 Ca 0.07 -0.82 -0.02 0.00 0.02 0.00 0.00 54.97 54.22 1amu s GLU 203 Cb -0.12 -2.38 0.36 0.00 0.10 0.00 0.00 34.13 32.08 1amu s GLU 203 CO 0.02 -1.06 1.81 0.45 0.02 0.00 0.00 175.26 176.50 1amu h HIS 204 N -0.25 0.91 -0.83 1.61 3.86 -0.67 -3.32 115.15 116.46 1amu h HIS 204 Ca -0.40 -0.09 0.18 0.00 -1.16 0.00 0.00 60.37 58.90 1amu h HIS 204 Cb 1.29 -0.26 -0.15 0.00 1.06 0.00 0.00 27.41 29.34 1amu h HIS 204 CO 0.16 0.75 -0.13 -0.22 0.86 0.00 0.00 177.93 179.35 1amu h LYS 205 N 0.84 0.02 -0.87 2.45 3.64 -1.36 -1.37 116.57 119.93 1amu h LYS 205 Ca 0.18 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1amu h LYS 205 Cb 0.30 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 1amu h LYS 205 CO -0.00 0.02 0.55 0.78 -2.27 0.00 0.00 179.45 178.53 1amu h GLY 206 N 0.02 1.23 1.68 5.01 0.00 -1.66 -2.04 103.07 107.31 1amu h GLY 206 Ca 0.42 -0.48 -0.15 0.00 0.00 0.00 0.00 47.33 47.13 1amu h GLY 206 CO -0.82 0.47 -0.56 -2.22 0.00 0.00 0.00 176.54 173.41 1amu h ILE 207 N 1.18 1.36 -0.48 2.60 1.08 -1.48 -1.86 117.51 119.92 1amu h ILE 207 Ca 0.32 -1.86 -0.04 0.00 -0.39 0.00 0.00 64.86 62.88 1amu h ILE 207 Cb -0.10 1.89 -0.02 0.00 -3.07 0.00 0.00 36.82 35.51 1amu h ILE 207 CO -0.06 0.56 0.14 0.28 -0.69 0.00 0.00 178.15 178.38 1amu h SER 208 N 0.26 0.64 -0.29 1.72 0.02 -0.92 -0.72 113.55 114.25 1amu h SER 208 Ca 0.00 -0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 60.76 1amu h SER 208 Cb 1.07 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 1amu h SER 208 CO 0.09 0.62 -0.21 -1.13 -1.14 0.00 0.00 176.83 175.06 1amu h ASN 209 N 0.69 0.69 0.10 3.07 -1.24 -1.18 -3.16 115.58 114.54 1amu h ASN 209 Ca 0.16 -0.44 -0.03 0.00 0.71 0.00 0.00 56.30 56.70 1amu h ASN 209 Cb 0.21 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.06 1amu h ASN 209 CO -0.01 0.98 -0.13 -0.07 -1.29 0.00 0.00 177.43 176.92 1amu h LEU 210 N 0.40 0.07 -0.09 0.34 3.38 -0.58 -2.58 115.31 116.25 1amu h LEU 210 Ca 0.06 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1amu h LEU 210 Cb 0.75 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 1amu h LEU 210 CO 0.06 0.21 -0.18 0.50 0.09 0.00 0.00 178.44 179.11 1amu h LYS 211 N 0.07 -0.24 -0.32 1.13 3.11 -1.12 0.26 116.57 119.46 1amu h LYS 211 Ca 0.02 0.02 -0.09 0.00 -2.81 0.00 0.00 60.65 57.78 1amu h LYS 211 Cb 0.27 0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.54 1amu h LYS 211 CO 0.02 -0.16 -0.18 0.28 -2.81 0.00 0.00 179.45 176.60 1amu h VAL 212 N -0.25 1.25 -0.32 2.00 2.07 -1.60 -2.66 116.25 116.75 1amu h VAL 212 Ca 0.08 -1.18 0.02 0.00 0.82 0.00 0.00 66.70 66.44 1amu h VAL 212 Cb 0.37 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1amu h VAL 212 CO -0.23 0.39 0.18 0.15 0.02 0.00 0.00 177.57 178.07 1amu h PHE 213 N 0.53 0.33 -0.91 1.57 3.57 -0.95 0.19 116.94 121.27 1amu h PHE 213 Ca 0.09 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.65 1amu h PHE 213 Cb 0.61 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.19 1amu h PHE 213 CO 0.02 0.19 0.59 0.74 -2.23 0.00 0.00 178.31 177.63 1amu h PHE 214 N 0.36 1.07 0.06 0.41 0.04 -0.21 0.13 116.94 118.81 1amu h PHE 214 Ca 0.13 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.83 1amu h PHE 214 Cb 0.02 -0.35 0.01 0.00 2.20 0.00 0.00 35.95 37.82 1amu h PHE 214 CO -0.08 0.58 -0.42 0.93 -0.60 0.00 0.00 178.31 178.72 1amu h GLU 215 N 1.07 0.17 0.07 1.51 5.08 -1.12 -0.14 114.58 121.21 1amu h GLU 215 Ca 0.38 -0.27 -0.30 0.00 -1.00 0.00 0.00 59.36 58.18 1amu h GLU 215 Cb 0.14 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1amu h GLU 215 CO -0.13 1.10 -1.57 -0.91 -1.00 0.00 0.00 179.01 176.50 1amu h ASN 216 N -0.62 0.22 0.01 1.42 2.35 -0.58 -3.06 115.58 115.31 1amu h ASN 216 Ca -0.07 -0.35 -0.38 0.00 -0.55 0.00 0.00 56.30 54.95 1amu h ASN 216 Cb 1.30 -0.07 -0.06 0.00 0.05 0.00 0.00 38.32 39.54 1amu h ASN 216 CO 0.08 1.30 -2.11 -0.24 -1.65 0.00 0.00 177.43 174.81 1amu n SER 217 N -3.32 1.94 0.08 5.81 2.88 0.41 -4.48 113.62 116.95 1amu n SER 217 Ca -0.16 0.31 0.13 0.00 -1.33 0.00 0.00 58.87 57.82 1amu n SER 217 Cb 1.03 -0.83 0.32 0.00 -0.75 0.00 0.00 64.21 63.98 1amu n SER 217 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1amu n LEU 218 N -4.17 0.74 -2.86 2.46 4.77 -0.96 -4.95 117.00 112.04 1amu n LEU 218 Ca -0.46 0.43 -0.21 0.00 -0.03 0.00 0.00 56.01 55.74 1amu n LEU 218 Cb 0.84 -0.27 0.03 0.00 -2.33 0.00 0.00 43.42 41.69 1amu n LEU 218 CO 0.12 -0.12 -0.01 0.59 -1.33 0.00 0.00 177.39 176.64 1amu n ASN 219 N -2.17 -5.95 -4.72 -1.43 3.02 -0.73 -4.97 115.26 98.30 1amu n ASN 219 Ca 0.05 -0.26 -0.41 0.00 -0.03 0.00 0.00 54.58 53.92 1amu n ASN 219 Cb 0.43 -4.77 -0.04 0.00 -0.61 0.00 0.00 39.78 34.79 1amu n ASN 219 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1amu s VAL 220 N -3.15 4.29 0.38 2.41 1.01 -0.14 -4.98 120.40 120.21 1amu s VAL 220 Ca 0.28 1.80 0.04 0.00 0.00 0.00 0.00 61.98 64.10 1amu s VAL 220 Cb -0.12 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 1amu s VAL 220 CO 0.34 0.23 0.13 0.42 0.00 0.00 0.00 175.10 176.22 1amu s THR 221 N 0.37 0.60 0.64 3.92 -4.23 -1.26 -4.42 115.64 111.26 1amu s THR 221 Ca 0.51 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 59.38 1amu s THR 221 Cb -0.26 -2.44 0.39 0.00 1.34 0.00 0.00 72.50 71.53 1amu s THR 221 CO 0.31 0.00 2.22 1.05 -0.54 0.00 0.00 174.62 177.66 1amu h GLU 222 N 1.92 0.00 0.00 3.99 4.11 -1.79 -1.31 114.58 121.51 1amu h GLU 222 Ca -0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.08 1amu h GLU 222 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1amu h GLU 222 CO 0.57 0.00 0.00 0.87 0.07 0.00 0.00 179.01 180.52 1amu h LYS 223 N 0.00 0.00 -7.12 1.06 1.57 -1.93 -3.37 116.57 106.78 1amu h LYS 223 Ca 0.02 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.31 1amu h LYS 223 Cb 0.22 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.58 1amu h LYS 223 CO -0.00 0.00 0.39 -0.51 -0.57 0.00 0.00 179.45 178.76 1amu s ASP 224 N -5.45 5.98 -0.21 0.86 1.01 -0.49 -4.95 116.67 113.41 1amu s ASP 224 Ca 0.05 1.94 0.02 0.00 0.71 0.00 0.00 52.55 55.26 1amu s ASP 224 Cb 0.08 -2.55 0.04 0.00 1.01 0.00 0.00 42.92 41.50 1amu s ASP 224 CO 0.56 -1.03 -0.12 -0.13 0.21 0.00 0.00 175.17 174.66 1amu s ARG 225 N -3.57 2.29 -0.24 8.23 0.52 -1.26 -2.24 118.95 122.67 1amu s ARG 225 Ca 0.67 -1.00 -0.13 0.00 -0.52 0.00 0.00 55.73 54.76 1amu s ARG 225 Cb -0.18 -2.60 -0.05 0.00 0.52 0.00 0.00 34.95 32.65 1amu s ARG 225 CO 0.28 -0.43 0.26 0.42 0.02 0.00 0.00 175.30 175.85 1amu s ILE 226 N 1.28 5.28 0.37 1.52 -1.09 0.24 -1.00 121.20 127.81 1amu s ILE 226 Ca -0.02 0.37 -0.26 0.00 -2.23 0.00 0.00 60.65 58.51 1amu s ILE 226 Cb -0.17 -3.59 -0.09 0.00 -1.58 0.00 0.00 42.46 37.03 1amu s ILE 226 CO -0.08 0.27 1.10 -0.83 -1.23 0.00 0.00 174.94 174.17 1amu s GLY 227 N 1.29 2.86 -0.63 6.18 0.00 -0.89 -0.69 107.32 115.44 1amu s GLY 227 Ca 0.11 0.84 -0.04 0.00 0.00 0.00 0.00 44.72 45.63 1amu s GLY 227 CO 0.07 1.34 0.46 1.62 0.00 0.00 0.00 173.10 176.59 1amu s GLN 228 N -2.19 2.64 -0.19 2.90 -0.44 0.15 -4.77 119.66 117.76 1amu s GLN 228 Ca 0.55 -2.44 -0.09 0.00 -2.50 0.00 0.00 55.36 50.88 1amu s GLN 228 Cb -0.27 -3.81 -0.21 0.00 -1.64 0.00 0.00 33.01 27.08 1amu s GLN 228 CO 0.34 -1.18 0.13 0.34 0.50 0.00 0.00 175.29 175.42 1amu n PHE 229 N 3.69 0.80 -1.97 1.67 -0.00 -1.26 -2.71 117.46 117.68 1amu n PHE 229 Ca 0.07 0.22 -0.35 0.00 -0.00 0.00 0.00 57.45 57.39 1amu n PHE 229 Cb 0.39 -1.10 0.03 0.00 -0.00 0.00 0.00 39.48 38.81 1amu n PHE 229 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1amu s ALA 230 N -2.50 2.52 0.50 3.13 0.00 -1.26 -5.00 121.76 119.16 1amu s ALA 230 Ca -0.28 0.84 -0.23 0.00 0.00 0.00 0.00 51.96 52.29 1amu s ALA 230 Cb 0.08 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.74 1amu s ALA 230 CO 0.66 -1.15 1.38 0.45 0.00 0.00 0.00 175.76 177.11 1amu s SER 231 N -1.90 5.56 0.36 0.00 0.15 -1.26 -4.71 113.70 111.89 1amu s SER 231 Ca 0.73 2.83 0.26 0.00 0.70 0.00 0.00 55.95 60.47 1amu s SER 231 Cb -0.26 -2.64 1.25 0.00 -1.71 0.00 0.00 66.02 62.66 1amu s SER 231 CO 0.34 -1.38 1.79 -0.29 1.20 0.00 0.00 173.24 174.90 1amu h ILE 232 N 1.84 0.00 -0.02 6.45 6.09 -1.96 -1.35 117.51 128.56 1amu h ILE 232 Ca -0.51 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 62.83 1amu h ILE 232 Cb 1.28 0.84 0.00 0.00 0.47 0.00 0.00 36.82 39.41 1amu h ILE 232 CO 0.59 0.00 -0.12 -1.20 -3.07 0.00 0.00 178.15 174.35 1amu n SER 233 N -2.43 1.68 -4.68 2.19 7.64 -1.26 -4.71 113.62 112.05 1amu n SER 233 Ca 0.00 -1.42 -0.35 0.00 1.01 0.00 0.00 58.87 58.11 1amu n SER 233 Cb 0.14 0.09 -0.09 0.00 -1.01 0.00 0.00 64.21 63.34 1amu n SER 233 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 1amu s PHE 234 N -2.19 3.18 -1.12 1.43 5.36 -0.51 -4.59 117.98 119.54 1amu s PHE 234 Ca 0.30 0.17 0.11 0.00 -0.96 0.00 0.00 56.93 56.56 1amu s PHE 234 Cb 0.20 -1.82 0.50 0.00 -0.34 0.00 0.00 43.02 41.56 1amu s PHE 234 CO 0.40 0.44 1.33 -0.40 -1.46 0.00 0.00 175.22 175.53 1amu n ASP 235 N 2.28 0.00 0.27 6.13 5.75 -1.26 -1.68 116.55 128.05 1amu n ASP 235 Ca -0.18 0.40 0.14 0.00 -0.01 0.00 0.00 54.79 55.14 1amu n ASP 235 Cb 0.54 -0.44 0.78 0.00 -1.03 0.00 0.00 41.12 40.97 1amu n ASP 235 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1amu h ALA 236 N 2.43 1.22 0.00 2.12 0.00 -1.95 -1.75 119.26 121.32 1amu h ALA 236 Ca 0.00 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 1amu h ALA 236 Cb 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1amu h ALA 236 CO 0.00 0.11 -0.83 0.66 0.00 0.00 0.00 179.25 179.19 1amu h SER 237 N 0.00 0.12 -0.36 0.00 4.64 -1.53 -1.50 113.55 114.93 1amu h SER 237 Ca -0.00 -0.10 -0.10 0.00 -0.47 0.00 0.00 61.79 61.12 1amu h SER 237 Cb 0.31 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1amu h SER 237 CO 0.01 0.90 -0.15 0.58 -0.87 0.00 0.00 176.83 177.30 1amu h VAL 238 N 0.05 1.28 -0.01 0.95 2.07 -1.50 0.01 116.25 119.11 1amu h VAL 238 Ca -0.03 -1.26 0.03 0.00 0.82 0.00 0.00 66.70 66.27 1amu h VAL 238 Cb 1.46 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 32.51 1amu h VAL 238 CO 0.12 0.41 -0.32 -0.25 0.02 0.00 0.00 177.57 177.55 1amu h TRP 239 N 0.53 -0.89 0.08 1.57 2.91 -1.28 -2.33 115.95 116.54 1amu h TRP 239 Ca 0.08 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.13 1amu h TRP 239 Cb 0.68 0.39 0.00 0.00 -0.51 0.00 0.00 29.16 29.73 1amu h TRP 239 CO 0.06 -0.41 -0.04 0.93 -1.03 0.00 0.00 178.44 177.94 1amu h GLU 240 N -0.47 -0.10 -0.42 2.65 5.08 -1.14 -1.45 114.58 118.73 1amu h GLU 240 Ca 0.06 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.52 1amu h GLU 240 Cb 0.56 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.74 1amu h GLU 240 CO -0.27 0.10 -0.25 1.98 -1.00 0.00 0.00 179.01 179.57 1amu h MET 241 N -0.30 -0.17 0.00 2.33 4.05 -0.96 -2.32 114.93 117.56 1amu h MET 241 Ca -0.01 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1amu h MET 241 Cb 0.25 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.09 1amu h MET 241 CO 0.02 -0.11 -0.30 1.19 0.23 0.00 0.00 176.91 177.93 1amu n PHE 242 N -5.40 0.36 0.06 1.39 3.72 -0.88 -1.25 117.46 115.46 1amu n PHE 242 Ca 0.02 0.10 -0.02 0.00 -0.05 0.00 0.00 57.45 57.50 1amu n PHE 242 Cb 0.32 -0.58 0.23 0.00 -0.94 0.00 0.00 39.48 38.51 1amu n PHE 242 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 1amu h MET 243 N 0.00 0.34 0.00 -1.08 4.05 -0.73 -2.19 114.93 115.33 1amu h MET 243 Ca 0.00 -0.14 0.00 0.00 -0.28 0.00 0.00 59.70 59.28 1amu h MET 243 Cb 0.62 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.40 1amu h MET 243 CO 0.00 0.62 -0.11 0.00 0.23 0.00 0.00 176.91 177.66 1amu h ALA 244 N 1.38 0.00 0.00 0.39 0.00 -1.28 -3.38 119.26 116.36 1amu h ALA 244 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1amu h ALA 244 Cb 0.70 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1amu h ALA 244 CO 0.05 0.11 0.00 -0.07 0.00 0.00 0.00 179.25 179.34 1amu h LEU 245 N -0.62 0.00 -1.77 0.00 3.38 -1.27 -1.77 115.31 113.27 1amu h LEU 245 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1amu h LEU 245 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1amu h LEU 245 CO 0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 1amu n LEU 246 N -2.92 2.74 -0.00 1.67 4.77 -0.82 -4.37 117.00 118.06 1amu n LEU 246 Ca -0.01 -0.95 0.00 0.00 -0.03 0.00 0.00 56.01 55.02 1amu n LEU 246 Cb 0.19 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1amu n LEU 246 CO 0.22 0.48 -0.16 0.35 -1.33 0.00 0.00 177.39 176.95 1amu n THR 247 N 1.12 0.00 -0.04 -5.08 -2.24 -0.71 -4.95 114.28 102.39 1amu n THR 247 Ca 0.16 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1amu n THR 247 Cb 0.55 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.62 1amu n THR 247 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1amu n GLY 248 N 1.47 0.38 3.81 3.38 0.00 -0.94 -3.68 105.19 109.61 1amu n GLY 248 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1amu n GLY 248 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1amu s ALA 249 N -2.10 1.95 0.07 4.61 0.00 -0.94 -4.49 121.76 120.85 1amu s ALA 249 Ca 0.00 -0.62 0.03 0.00 0.00 0.00 0.00 51.96 51.37 1amu s ALA 249 Cb 0.00 -2.99 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 1amu s ALA 249 CO 0.00 -2.22 0.06 -1.54 0.00 0.00 0.00 175.76 172.05 1amu s SER 250 N -4.21 5.41 -0.21 0.00 1.04 -0.95 -4.22 113.70 110.56 1amu s SER 250 Ca 0.64 -0.03 -0.04 0.00 0.48 0.00 0.00 55.95 57.00 1amu s SER 250 Cb -0.13 -1.43 -0.02 0.00 0.10 0.00 0.00 66.02 64.54 1amu s SER 250 CO 0.52 0.19 -0.02 -0.22 0.98 0.00 0.00 173.24 174.70 1amu s LEU 251 N -2.24 3.06 -0.35 2.42 2.96 0.38 -0.59 118.68 124.31 1amu s LEU 251 Ca 0.27 -0.31 -0.12 0.00 -0.22 0.00 0.00 54.13 53.75 1amu s LEU 251 Cb -0.12 -1.78 -0.00 0.00 0.50 0.00 0.00 46.19 44.79 1amu s LEU 251 CO 0.20 0.01 0.23 -0.31 -1.32 0.00 0.00 176.35 175.16 1amu s TYR 252 N 1.30 3.22 -0.81 5.38 1.51 0.14 -0.55 117.35 127.54 1amu s TYR 252 Ca 0.04 -0.45 -0.26 0.00 -1.01 0.00 0.00 57.07 55.38 1amu s TYR 252 Cb -0.14 -2.47 0.03 0.00 -0.11 0.00 0.00 41.96 39.27 1amu s TYR 252 CO -0.00 -0.46 1.37 0.42 -1.11 0.00 0.00 175.55 175.77 1amu s ILE 253 N 1.67 3.74 -0.21 2.71 -1.09 -0.23 0.34 121.20 128.14 1amu s ILE 253 Ca 0.05 0.08 -0.28 0.00 -2.23 0.00 0.00 60.65 58.27 1amu s ILE 253 Cb -0.18 -4.88 0.00 0.00 -1.58 0.00 0.00 42.46 35.83 1amu s ILE 253 CO 0.09 -1.81 0.99 -0.63 -1.23 0.00 0.00 174.94 172.36 1amu s ILE 254 N 5.83 4.73 0.55 2.92 1.01 -1.10 -4.57 121.20 130.58 1amu s ILE 254 Ca 0.40 1.94 -0.14 0.00 0.00 0.00 0.00 60.65 62.86 1amu s ILE 254 Cb -0.06 -4.27 -0.06 0.00 0.01 0.00 0.00 42.46 38.07 1amu s ILE 254 CO 0.09 -0.12 0.99 -0.76 0.00 0.00 0.00 174.94 175.14 1amu s LEU 255 N 2.87 3.50 0.27 2.97 1.43 -1.26 -4.83 118.68 123.63 1amu s LEU 255 Ca 0.43 1.49 -0.00 0.00 -1.03 0.00 0.00 54.13 55.02 1amu s LEU 255 Cb -0.16 -4.46 0.53 0.00 0.03 0.00 0.00 46.19 42.13 1amu s LEU 255 CO 0.09 -0.68 1.81 0.07 0.23 0.00 0.00 176.35 177.87 1amu h LYS 256 N 0.49 0.82 0.00 1.70 2.10 -1.97 -0.47 116.57 119.25 1amu h LYS 256 Ca -0.46 -0.05 -0.03 0.00 -2.00 0.00 0.00 60.65 58.11 1amu h LYS 256 Cb 1.19 -0.18 -0.00 0.00 -0.90 0.00 0.00 32.23 32.33 1amu h LYS 256 CO 0.62 0.54 -0.16 -0.44 -2.00 0.00 0.00 179.45 178.01 1amu h ASP 257 N 0.84 0.00 -0.02 7.07 3.32 -1.97 0.39 116.42 126.05 1amu h ASP 257 Ca 0.47 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.36 1amu h ASP 257 Cb 0.53 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.10 1amu h ASP 257 CO -0.29 0.16 -0.64 0.74 -1.72 0.00 0.00 179.24 177.48 1amu h THR 258 N 0.00 1.40 -0.32 0.35 2.02 -1.46 -3.26 112.91 111.64 1amu h THR 258 Ca -0.00 -2.06 -0.06 0.00 0.77 0.00 0.00 66.41 65.06 1amu h THR 258 Cb 0.29 2.51 -0.02 0.00 -1.74 0.00 0.00 68.15 69.19 1amu h THR 258 CO 0.02 0.61 -0.05 0.40 0.37 0.00 0.00 175.52 176.87 1amu h ILE 259 N -0.00 1.21 0.00 3.11 2.04 -0.71 -2.69 117.51 120.46 1amu h ILE 259 Ca -0.08 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 64.91 1amu h ILE 259 Cb 1.34 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 1amu h ILE 259 CO 0.13 0.29 0.00 0.59 0.00 0.00 0.00 178.15 179.16 1amu n ASN 260 N -4.25 0.00 -3.56 1.72 3.02 0.13 -4.42 115.26 107.90 1amu n ASN 260 Ca 0.01 -0.99 -0.25 0.00 -0.03 0.00 0.00 54.58 53.32 1amu n ASN 260 Cb 0.28 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.29 1amu n ASN 260 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1amu s ASP 261 N -1.73 2.53 0.37 6.41 -1.08 -1.03 -5.03 116.67 117.12 1amu s ASP 261 Ca 0.21 -0.77 0.11 0.00 -0.52 0.00 0.00 52.55 51.58 1amu s ASP 261 Cb 0.10 -0.14 0.88 0.00 -1.46 0.00 0.00 42.92 42.30 1amu s ASP 261 CO 0.16 -0.38 1.86 -0.26 0.52 0.00 0.00 175.17 177.08 1amu h PHE 262 N 8.39 0.76 -0.23 -5.34 0.04 -1.79 0.20 116.94 118.97 1amu h PHE 262 Ca -0.17 0.02 -0.13 0.00 2.80 0.00 0.00 57.97 60.50 1amu h PHE 262 Cb 1.10 -0.24 -0.00 0.00 2.20 0.00 0.00 35.95 39.01 1amu h PHE 262 CO 0.20 0.25 -0.36 0.28 -0.60 0.00 0.00 178.31 178.08 1amu h VAL 263 N 0.62 1.32 -0.78 -0.55 2.07 -1.95 -1.51 116.25 115.46 1amu h VAL 263 Ca 0.46 -1.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 1amu h VAL 263 Cb 0.85 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 32.33 1amu h VAL 263 CO -0.21 0.49 0.46 0.11 0.02 0.00 0.00 177.57 178.44 1amu h LYS 264 N 0.36 1.07 -0.34 1.57 1.57 -1.30 -1.52 116.57 117.98 1amu h LYS 264 Ca 0.02 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1amu h LYS 264 Cb 0.95 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1amu h LYS 264 CO 0.08 0.77 0.14 0.35 -0.57 0.00 0.00 179.45 180.22 1amu h PHE 265 N 1.08 0.52 -0.30 -1.35 3.57 -0.58 0.19 116.94 120.07 1amu h PHE 265 Ca 0.28 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.75 1amu h PHE 265 Cb -0.02 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 1amu h PHE 265 CO -0.00 0.47 0.20 0.93 -2.23 0.00 0.00 178.31 177.68 1amu h GLU 266 N 0.41 0.39 -0.84 1.11 5.08 -1.10 -0.92 114.58 118.72 1amu h GLU 266 Ca 0.12 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1amu h GLU 266 Cb 0.17 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.29 1amu h GLU 266 CO -0.01 0.26 0.42 1.96 -1.00 0.00 0.00 179.01 180.64 1amu h GLN 267 N 0.41 1.20 0.51 2.33 4.20 -1.06 -1.89 115.11 120.81 1amu h GLN 267 Ca 0.11 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1amu h GLN 267 Cb -0.04 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.51 1amu h GLN 267 CO -0.03 0.91 -0.31 -0.92 -0.67 0.00 0.00 178.83 177.81 1amu h TYR 268 N 1.19 -0.82 -0.11 2.96 5.03 -0.07 0.19 116.97 125.33 1amu h TYR 268 Ca 0.29 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.57 1amu h TYR 268 Cb 0.09 0.29 -0.01 0.00 1.55 0.00 0.00 36.73 38.65 1amu h TYR 268 CO 0.01 -0.48 -0.03 -0.84 -1.32 0.00 0.00 178.16 175.50 1amu h ILE 269 N -0.78 1.10 -0.01 1.81 -0.00 -1.05 0.28 117.51 118.86 1amu h ILE 269 Ca -0.06 -0.40 -0.02 0.00 -0.00 0.00 0.00 64.86 64.38 1amu h ILE 269 Cb 0.64 1.05 0.00 0.00 -0.00 0.00 0.00 36.82 38.51 1amu h ILE 269 CO 0.06 0.13 -0.07 0.78 -0.00 0.00 0.00 178.15 179.05 1amu h ASN 270 N 0.16 0.08 -0.74 2.16 2.35 -1.09 -1.84 115.58 116.67 1amu h ASN 270 Ca 0.04 -0.67 -0.05 0.00 -0.55 0.00 0.00 56.30 55.07 1amu h ASN 270 Cb 0.17 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 1amu h ASN 270 CO 0.01 0.74 0.27 1.56 -1.65 0.00 0.00 177.43 178.35 1amu h GLN 271 N -0.57 1.12 -0.00 0.81 7.50 -0.26 -2.43 115.11 121.29 1amu h GLN 271 Ca -0.00 -0.22 0.00 0.00 0.50 0.00 0.00 58.65 58.93 1amu h GLN 271 Cb 0.73 -0.17 0.00 0.00 0.05 0.00 0.00 27.48 28.09 1amu h GLN 271 CO 0.01 0.94 -0.10 1.63 -1.50 0.00 0.00 178.83 179.81 1amu n LYS 272 N -4.31 0.68 -3.80 1.46 4.76 0.05 -4.94 118.16 112.07 1amu n LYS 272 Ca 0.06 -0.22 -0.27 0.00 -2.87 0.00 0.00 58.31 55.01 1amu n LYS 272 Cb 0.20 -1.50 0.04 0.00 -1.84 0.00 0.00 35.03 31.93 1amu n LYS 272 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1amu n GLU 273 N -0.97 -5.87 -1.82 1.97 1.02 -0.85 -4.93 120.64 109.18 1amu n GLU 273 Ca 0.15 0.65 -0.41 0.00 -0.02 0.00 0.00 57.16 57.52 1amu n GLU 273 Cb 0.27 -5.51 -0.02 0.00 -0.02 0.00 0.00 31.44 26.17 1amu n GLU 273 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1amu s ILE 274 N -3.39 2.17 -0.07 -3.67 -1.09 -0.75 -4.71 121.20 109.70 1amu s ILE 274 Ca 0.49 0.15 0.14 0.00 -2.23 0.00 0.00 60.65 59.20 1amu s ILE 274 Cb -0.24 -3.10 -0.21 0.00 -1.58 0.00 0.00 42.46 37.33 1amu s ILE 274 CO 0.81 0.03 0.22 0.35 -1.23 0.00 0.00 174.94 175.11 1amu n THR 275 N 2.02 0.40 -4.14 2.92 -2.24 -0.17 -2.81 114.28 110.25 1amu n THR 275 Ca 0.07 -0.46 -0.19 0.00 -2.27 0.00 0.00 64.05 61.20 1amu n THR 275 Cb 0.38 -0.17 -0.16 0.00 -2.10 0.00 0.00 70.33 68.28 1amu n THR 275 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1amu s VAL 276 N -2.78 0.48 -0.01 2.28 1.01 -1.03 -0.14 120.40 120.22 1amu s VAL 276 Ca -0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 61.98 61.80 1amu s VAL 276 Cb 0.08 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.96 1amu s VAL 276 CO 0.62 0.20 0.03 -0.51 0.00 0.00 0.00 175.10 175.44 1amu s ILE 277 N 0.80 -0.00 -0.17 2.22 1.10 -1.02 -2.10 121.20 122.03 1amu s ILE 277 Ca -0.10 0.02 -0.01 0.00 -0.51 0.00 0.00 60.65 60.04 1amu s ILE 277 Cb -0.13 -0.05 -0.01 0.00 0.15 0.00 0.00 42.46 42.42 1amu s ILE 277 CO -0.00 0.01 -0.10 -0.89 -2.11 0.00 0.00 174.94 171.84 1amu s THR 278 N 0.11 3.04 0.02 4.00 2.01 -1.26 -1.52 115.64 122.04 1amu s THR 278 Ca -0.01 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.36 1amu s THR 278 Cb -0.01 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 70.15 1amu s THR 278 CO -0.00 0.49 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.63 1amu s LEU 279 N 0.94 2.21 0.43 4.42 1.43 0.32 -4.81 118.68 123.62 1amu s LEU 279 Ca -0.02 -0.43 -0.24 0.00 -1.03 0.00 0.00 54.13 52.41 1amu s LEU 279 Cb -0.15 0.09 -0.08 0.00 0.03 0.00 0.00 46.19 46.08 1amu s LEU 279 CO -0.01 -0.26 1.13 -2.16 0.23 0.00 0.00 176.35 175.28 1amu s PRO 280 N -1.26 3.94 0.61 1.29 0.04 -1.26 -2.63 135.00 135.72 1amu s PRO 280 Ca -0.14 1.70 0.31 0.00 0.04 0.00 0.00 61.00 62.91 1amu s PRO 280 Cb -0.09 -2.50 1.77 0.00 0.04 0.00 0.00 34.50 33.72 1amu s PRO 280 CO -0.01 -0.38 2.13 -1.35 0.04 0.00 0.00 177.00 177.44 1amu h PRO 281 N 2.30 0.00 0.00 0.56 0.11 -1.84 0.25 132.00 133.38 1amu h PRO 281 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1amu h PRO 281 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1amu h PRO 281 CO 0.61 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.65 1amu n THR 282 N -3.64 0.82 -0.14 -1.15 -2.24 -1.26 -2.00 114.28 104.67 1amu n THR 282 Ca 0.00 0.18 -0.29 0.00 -2.27 0.00 0.00 64.05 61.67 1amu n THR 282 Cb 0.27 -1.04 -0.10 0.00 -2.10 0.00 0.00 70.33 67.36 1amu n THR 282 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1amu n TYR 283 N -2.02 0.00 -0.28 4.78 9.36 0.03 -4.55 117.16 124.49 1amu n TYR 283 Ca 0.03 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.38 1amu n TYR 283 Cb 0.24 -1.00 0.39 0.00 -0.63 0.00 0.00 39.34 38.34 1amu n TYR 283 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1amu h VAL 284 N -0.95 0.79 -0.11 2.97 2.07 -1.35 -0.87 116.25 118.80 1amu h VAL 284 Ca -0.70 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 66.62 1amu h VAL 284 Cb 1.63 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1amu h VAL 284 CO -0.41 0.12 0.16 1.62 0.02 0.00 0.00 177.57 179.08 1amu h VAL 285 N 0.65 0.33 -0.01 2.57 3.04 -1.64 0.61 116.25 121.81 1amu h VAL 285 Ca 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.16 1amu h VAL 285 Cb 0.83 0.86 0.00 0.00 -2.01 0.00 0.00 31.29 30.97 1amu h VAL 285 CO -0.22 0.00 -0.32 1.41 -1.01 0.00 0.00 177.57 177.43 1amu n HIS 286 N -3.56 0.00 -3.64 3.17 -0.00 -0.33 -4.93 115.22 105.93 1amu n HIS 286 Ca -0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.39 1amu n HIS 286 Cb 0.26 -0.09 -0.05 0.00 -0.00 0.00 0.00 29.99 30.11 1amu n HIS 286 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1amu s LEU 287 N -2.50 4.29 -0.38 2.41 1.43 0.21 -5.01 118.68 119.12 1amu s LEU 287 Ca 0.23 0.66 -0.16 0.00 -1.03 0.00 0.00 54.13 53.83 1amu s LEU 287 Cb 0.19 -3.22 0.00 0.00 0.03 0.00 0.00 46.19 43.19 1amu s LEU 287 CO 0.54 0.09 0.36 -0.62 0.23 0.00 0.00 176.35 176.94 1amu s ASP 288 N -2.22 6.16 0.43 2.29 -1.08 -1.26 -4.96 116.67 116.03 1amu s ASP 288 Ca 0.39 -0.50 0.09 0.00 -0.52 0.00 0.00 52.55 52.01 1amu s ASP 288 Cb -0.13 -2.19 0.95 0.00 -1.46 0.00 0.00 42.92 40.10 1amu s ASP 288 CO 0.22 -0.42 2.07 1.55 0.52 0.00 0.00 175.17 179.11 1amu h PRO 289 N 8.58 0.38 0.00 4.34 0.13 -1.93 -1.12 132.00 142.38 1amu h PRO 289 Ca -0.28 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1amu h PRO 289 Cb 1.13 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1amu h PRO 289 CO 0.72 0.27 0.00 0.93 -0.23 0.00 0.00 178.00 179.70 1amu h GLU 290 N 0.39 0.00 0.00 0.86 3.07 -1.93 -2.77 114.58 114.20 1amu h GLU 290 Ca 0.10 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.96 1amu h GLU 290 Cb -0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1amu h GLU 290 CO -0.02 0.00 -1.14 0.54 -1.40 0.00 0.00 179.01 176.99 1amu n ARG 291 N -2.93 0.61 -2.94 2.33 3.00 -0.45 -4.84 116.66 111.44 1amu n ARG 291 Ca 0.01 0.08 -0.42 0.00 -0.01 0.00 0.00 57.85 57.52 1amu n ARG 291 Cb 0.29 -1.79 -0.05 0.00 0.00 0.00 0.00 32.46 30.91 1amu n ARG 291 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1amu s ILE 292 N -3.38 4.85 -0.12 0.55 -1.09 -1.05 -4.95 121.20 116.01 1amu s ILE 292 Ca -0.02 1.40 0.11 0.00 -2.23 0.00 0.00 60.65 59.92 1amu s ILE 292 Cb 0.10 -4.10 -0.15 0.00 -1.58 0.00 0.00 42.46 36.73 1amu s ILE 292 CO 0.81 -0.10 0.04 0.18 -1.23 0.00 0.00 174.94 174.63 1amu n LEU 293 N 6.01 0.01 -0.05 2.97 4.77 -1.26 -4.76 117.00 124.69 1amu n LEU 293 Ca 0.04 -0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.96 1amu n LEU 293 Cb 0.48 0.30 -0.14 0.00 -2.33 0.00 0.00 43.42 41.73 1amu n LEU 293 CO 0.47 0.31 -0.80 -1.54 -1.33 0.00 0.00 177.39 174.50 1amu n SER 294 N -2.46 0.38 -4.66 -1.43 3.41 -1.26 -4.97 113.62 102.64 1amu n SER 294 Ca -0.20 0.18 -0.47 0.00 -0.26 0.00 0.00 58.87 58.12 1amu n SER 294 Cb 0.90 0.67 -0.04 0.00 -0.26 0.00 0.00 64.21 65.48 1amu n SER 294 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1amu n ILE 295 N -2.81 0.08 -0.08 -1.33 2.08 -1.12 -4.46 119.36 111.72 1amu n ILE 295 Ca -0.22 -0.02 -0.11 0.00 0.56 0.00 0.00 62.75 62.96 1amu n ILE 295 Cb 1.02 -1.41 -0.09 0.00 -0.75 0.00 0.00 39.64 38.41 1amu n ILE 295 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1amu n GLN 296 N 3.15 0.81 -4.03 0.38 6.02 0.81 -4.82 117.38 119.69 1amu n GLN 296 Ca 0.17 0.07 -0.27 0.00 -0.01 0.00 0.00 57.00 56.96 1amu n GLN 296 Cb 0.27 -1.35 -0.17 0.00 1.02 0.00 0.00 30.24 30.02 1amu n GLN 296 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1amu s THR 297 N -2.34 1.08 -0.24 5.09 2.01 -0.76 -1.41 115.64 119.07 1amu s THR 297 Ca -0.19 -0.35 -0.06 0.00 0.31 0.00 0.00 61.69 61.41 1amu s THR 297 Cb 0.05 -1.07 -0.01 0.00 0.01 0.00 0.00 72.50 71.48 1amu s THR 297 CO 0.44 0.37 0.02 -0.22 -0.69 0.00 0.00 174.62 174.54 1amu s LEU 298 N 1.51 3.21 -0.18 4.42 2.96 -0.16 -2.42 118.68 128.02 1amu s LEU 298 Ca 0.02 -0.35 -0.03 0.00 -0.22 0.00 0.00 54.13 53.55 1amu s LEU 298 Cb -0.13 -1.83 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 1amu s LEU 298 CO -0.06 -0.04 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.22 1amu s ILE 299 N 1.54 3.36 0.04 6.68 1.01 -0.58 -0.59 121.20 132.66 1amu s ILE 299 Ca 0.06 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.22 1amu s ILE 299 Cb -0.15 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 1amu s ILE 299 CO 0.00 0.47 -0.03 0.42 0.00 0.00 0.00 174.94 175.81 1amu s THR 300 N 0.86 3.92 0.27 2.92 -4.23 -0.25 -0.52 115.64 118.61 1amu s THR 300 Ca -0.02 -0.81 -0.20 0.00 -1.18 0.00 0.00 61.69 59.48 1amu s THR 300 Cb -0.15 -2.78 0.02 0.00 1.34 0.00 0.00 72.50 70.93 1amu s THR 300 CO 0.01 0.28 0.68 0.00 -0.54 0.00 0.00 174.62 175.06 1amu s ALA 301 N -1.14 -1.11 0.00 3.99 0.00 -1.08 -1.19 121.76 121.24 1amu s ALA 301 Ca 0.21 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1amu s ALA 301 Cb -0.11 0.88 0.00 0.00 0.00 0.00 0.00 23.12 23.88 1amu s ALA 301 CO 0.12 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.29 1amu n GLY 302 N -0.45 2.95 3.69 0.00 0.00 -1.26 -4.22 105.19 105.91 1amu n GLY 302 Ca -0.04 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.58 1amu n GLY 302 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1amu s SER 303 N 0.55 -0.22 0.27 1.61 1.04 -1.26 -4.98 113.70 110.72 1amu s SER 303 Ca 0.00 -0.66 -0.30 0.00 0.48 0.00 0.00 55.95 55.47 1amu s SER 303 Cb 0.00 0.65 -0.11 0.00 0.10 0.00 0.00 66.02 66.66 1amu s SER 303 CO 0.00 -1.21 1.50 0.00 0.98 0.00 0.00 173.24 174.51 1amu s ALA 304 N -3.94 3.67 0.59 5.32 0.00 -1.26 -4.70 121.76 121.44 1amu s ALA 304 Ca 0.14 1.43 0.07 0.00 0.00 0.00 0.00 51.96 53.60 1amu s ALA 304 Cb -0.03 -3.59 0.09 0.00 0.00 0.00 0.00 23.12 19.58 1amu s ALA 304 CO 0.05 -0.85 0.81 -0.08 0.00 0.00 0.00 175.76 175.69 1amu s THR 305 N -0.08 2.26 0.18 0.00 -1.32 -1.26 -4.83 115.64 110.59 1amu s THR 305 Ca 0.60 -0.90 0.05 0.00 -1.21 0.00 0.00 61.69 60.24 1amu s THR 305 Cb -0.44 -2.37 -0.05 0.00 -1.51 0.00 0.00 72.50 68.13 1amu s THR 305 CO 0.46 0.00 -0.08 -0.94 -2.21 0.00 0.00 174.62 171.85 1amu s SER 306 N -4.64 1.95 0.25 8.08 1.04 -1.26 -4.64 113.70 114.49 1amu s SER 306 Ca 0.62 -1.07 -0.03 0.00 0.48 0.00 0.00 55.95 55.94 1amu s SER 306 Cb -0.06 -0.03 0.41 0.00 0.10 0.00 0.00 66.02 66.43 1amu s SER 306 CO 0.39 -0.35 1.83 -0.65 0.98 0.00 0.00 173.24 175.45 1amu h PRO 307 N 2.66 0.89 -0.69 4.02 0.11 -1.86 -1.19 132.00 135.93 1amu h PRO 307 Ca -0.37 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.61 1amu h PRO 307 Cb 1.20 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 1amu h PRO 307 CO 0.64 0.59 0.14 0.66 -0.21 0.00 0.00 178.00 179.81 1amu h SER 308 N 0.91 1.08 -0.24 -2.05 4.64 -1.96 -0.30 113.55 115.63 1amu h SER 308 Ca 0.41 -0.24 -0.06 0.00 -0.47 0.00 0.00 61.79 61.42 1amu h SER 308 Cb 0.31 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 1amu h SER 308 CO -0.22 1.05 -0.10 0.25 -0.87 0.00 0.00 176.83 176.93 1amu h LEU 309 N 1.06 0.51 -0.50 5.97 5.85 -1.82 -2.74 115.31 123.64 1amu h LEU 309 Ca 0.21 -0.40 -0.06 0.00 0.84 0.00 0.00 57.88 58.47 1amu h LEU 309 Cb 0.41 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1amu h LEU 309 CO 0.01 0.79 0.07 0.58 -0.34 0.00 0.00 178.44 179.55 1amu h VAL 310 N 0.22 1.25 -0.33 1.05 2.07 -1.11 -2.86 116.25 116.54 1amu h VAL 310 Ca 0.06 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 1amu h VAL 310 Cb 0.60 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1amu h VAL 310 CO 0.03 0.34 0.10 0.78 0.02 0.00 0.00 177.57 178.84 1amu h ASN 311 N 0.71 0.42 0.93 0.57 2.35 -1.09 0.28 115.58 119.76 1amu h ASN 311 Ca 0.15 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1amu h ASN 311 Cb 0.42 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1amu h ASN 311 CO 0.01 0.42 0.00 0.50 -1.65 0.00 0.00 177.43 176.71 1amu h LYS 312 N 0.47 0.00 0.00 0.81 3.64 -1.26 -3.34 116.57 116.89 1amu h LYS 312 Ca 0.11 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.43 1amu h LYS 312 Cb 0.15 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1amu h LYS 312 CO -0.01 0.00 -1.25 0.91 -2.27 0.00 0.00 179.45 176.83 1amu n TRP 313 N -3.06 0.00 0.18 1.91 7.02 -0.70 -4.81 117.44 117.99 1amu n TRP 313 Ca 0.00 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.58 1amu n TRP 313 Cb 0.28 -0.18 0.53 0.00 -2.42 0.00 0.00 31.31 29.53 1amu n TRP 313 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 1amu h LYS 314 N 0.00 0.00 0.00 -0.99 2.10 -0.60 0.19 116.57 117.26 1amu h LYS 314 Ca -0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.55 1amu h LYS 314 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 1amu h LYS 314 CO 0.00 0.00 -1.85 0.39 -2.00 0.00 0.00 179.45 175.99 1amu n GLU 315 N -2.25 0.62 0.02 0.07 -0.58 -1.26 -4.37 120.64 112.89 1amu n GLU 315 Ca -0.01 -0.16 -0.15 0.00 -0.42 0.00 0.00 57.16 56.42 1amu n GLU 315 Cb 0.19 -1.55 -0.14 0.00 -0.57 0.00 0.00 31.44 29.37 1amu n GLU 315 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 1amu h LYS 316 N 0.00 0.16 -4.63 3.49 6.56 -0.98 -3.49 116.57 117.68 1amu h LYS 316 Ca 0.00 -0.28 -0.26 0.00 -1.06 0.00 0.00 60.65 59.06 1amu h LYS 316 Cb 0.98 0.10 -0.15 0.00 -0.57 0.00 0.00 32.23 32.59 1amu h LYS 316 CO 0.00 0.93 -0.62 0.14 -2.06 0.00 0.00 179.45 177.84 1amu s VAL 317 N -2.60 0.09 -0.42 0.50 -7.23 -0.75 -4.96 120.40 105.04 1amu s VAL 317 Ca -0.11 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 57.79 1amu s VAL 317 Cb 0.07 -2.51 0.02 0.00 0.56 0.00 0.00 36.38 34.52 1amu s VAL 317 CO 0.82 -0.01 1.03 -0.89 -0.31 0.00 0.00 175.10 175.74 1amu s THR 318 N -4.10 4.41 -0.18 5.32 2.01 -0.50 -4.44 115.64 118.15 1amu s THR 318 Ca 0.39 1.21 -0.15 0.00 0.31 0.00 0.00 61.69 63.44 1amu s THR 318 Cb 0.07 -4.47 -0.04 0.00 0.01 0.00 0.00 72.50 68.07 1amu s THR 318 CO 0.12 -0.77 0.36 -0.47 -0.69 0.00 0.00 174.62 173.18 1amu s TYR 319 N 3.93 3.41 -0.08 4.92 6.14 -1.26 -0.99 117.35 133.42 1amu s TYR 319 Ca 0.43 0.62 0.02 0.00 0.64 0.00 0.00 57.07 58.77 1amu s TYR 319 Cb -0.10 -2.46 0.01 0.00 0.42 0.00 0.00 41.96 39.83 1amu s TYR 319 CO 0.25 0.08 -0.13 0.42 0.64 0.00 0.00 175.55 176.81 1amu s ILE 320 N 0.99 1.23 -0.31 3.14 1.01 0.24 -0.74 121.20 126.77 1amu s ILE 320 Ca 0.18 -0.51 -0.13 0.00 0.00 0.00 0.00 60.65 60.19 1amu s ILE 320 Cb -0.14 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 1amu s ILE 320 CO 0.07 0.38 0.28 0.21 0.00 0.00 0.00 174.94 175.88 1amu s ASN 321 N 0.83 6.11 -0.13 3.58 2.47 0.96 -1.09 114.94 127.67 1amu s ASN 321 Ca -0.11 -0.12 -0.00 0.00 0.42 0.00 0.00 52.86 53.05 1amu s ASN 321 Cb -0.15 -2.16 -0.02 0.00 -1.45 0.00 0.00 41.25 37.47 1amu s ASN 321 CO 0.02 -0.19 -0.12 0.00 -3.72 0.00 0.00 177.10 173.08 1amu s ALA 322 N 1.87 2.66 0.04 1.71 0.00 -0.33 -0.67 121.76 127.03 1amu s ALA 322 Ca 0.09 -0.88 0.08 0.00 0.00 0.00 0.00 51.96 51.25 1amu s ALA 322 Cb -0.16 -1.23 -0.03 0.00 0.00 0.00 0.00 23.12 21.69 1amu s ALA 322 CO 0.11 0.26 -0.23 -0.47 0.00 0.00 0.00 175.76 175.44 1amu s TYR 323 N 0.29 2.43 0.00 0.00 6.14 -0.36 -4.18 117.35 121.67 1amu s TYR 323 Ca -0.09 -0.34 0.00 0.00 0.64 0.00 0.00 57.07 57.27 1amu s TYR 323 Cb -0.16 -1.43 0.00 0.00 0.42 0.00 0.00 41.96 40.79 1amu s TYR 323 CO 0.05 0.17 0.00 0.41 0.64 0.00 0.00 175.55 176.82 1amu n GLY 324 N 1.75 2.24 3.93 8.97 0.00 -1.25 -0.20 105.19 120.63 1amu n GLY 324 Ca -0.17 -0.22 -0.26 0.00 0.00 0.00 0.00 46.02 45.38 1amu n GLY 324 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1amu s PRO 325 N -1.50 3.25 0.42 1.61 0.04 -1.26 -4.75 135.00 132.81 1amu s PRO 325 Ca 0.00 -0.09 0.13 0.00 0.04 0.00 0.00 61.00 61.08 1amu s PRO 325 Cb 0.00 -2.43 1.00 0.00 0.04 0.00 0.00 34.50 33.11 1amu s PRO 325 CO 0.00 -0.31 1.97 1.15 0.04 0.00 0.00 177.00 179.86 1amu h THR 326 N 0.23 0.91 0.00 1.26 2.02 -1.97 -2.84 112.91 112.51 1amu h THR 326 Ca -0.47 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.56 1amu h THR 326 Cb 1.23 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1amu h THR 326 CO 0.60 0.08 0.00 -0.62 0.37 0.00 0.00 175.52 175.95 1amu n GLU 327 N -4.47 0.06 -2.19 6.66 4.71 -1.26 -2.78 120.64 121.36 1amu n GLU 327 Ca 0.10 0.21 -0.19 0.00 -0.01 0.00 0.00 57.16 57.26 1amu n GLU 327 Cb 0.36 -1.50 0.03 0.00 -1.01 0.00 0.00 31.44 29.32 1amu n GLU 327 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1amu n THR 328 N -1.45 2.27 -3.36 2.62 -2.24 -1.08 -0.60 114.28 110.45 1amu n THR 328 Ca 0.05 -3.98 -0.15 0.00 -2.27 0.00 0.00 64.05 57.69 1amu n THR 328 Cb 0.17 -0.66 0.03 0.00 -2.10 0.00 0.00 70.33 67.77 1amu n THR 328 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1amu n THR 329 N -0.68 -8.01 0.00 4.28 -1.04 -0.88 -4.18 114.28 103.77 1amu n THR 329 Ca 0.37 -0.73 0.00 0.00 -2.04 0.00 0.00 64.05 61.64 1amu n THR 329 Cb 0.93 -5.70 0.00 0.00 -1.82 0.00 0.00 70.33 63.74 1amu n THR 329 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1amu n ILE 330 N -2.93 0.00 -4.14 12.58 5.41 -1.20 -4.82 119.36 124.27 1amu n ILE 330 Ca -0.08 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.45 1amu n ILE 330 Cb 0.58 0.00 -0.17 0.00 -0.71 0.00 0.00 39.64 39.34 1amu n ILE 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1amu n ALA 332 N 4.31 1.66 -2.29 0.00 0.00 0.72 -4.90 120.51 120.02 1amu n ALA 332 Ca -0.20 -0.81 -0.08 0.00 0.00 0.00 0.00 53.44 52.35 1amu n ALA 332 Cb 0.51 0.02 -0.10 0.00 0.00 0.00 0.00 19.45 19.88 1amu n ALA 332 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1amu s THR 333 N -2.33 0.19 0.03 0.00 -4.23 -0.92 -1.10 115.64 107.29 1amu s THR 333 Ca -0.13 -1.59 -0.07 0.00 -1.18 0.00 0.00 61.69 58.73 1amu s THR 333 Cb 0.05 -1.30 -0.01 0.00 1.34 0.00 0.00 72.50 72.58 1amu s THR 333 CO 0.48 -0.88 0.12 0.42 -0.54 0.00 0.00 174.62 174.23 1amu s THR 334 N -3.52 0.12 -0.04 3.99 -4.23 -0.84 -1.22 115.64 109.90 1amu s THR 334 Ca 0.03 -0.98 0.01 0.00 -1.18 0.00 0.00 61.69 59.57 1amu s THR 334 Cb 0.05 -0.81 0.02 0.00 1.34 0.00 0.00 72.50 73.10 1amu s THR 334 CO -0.09 -0.54 -0.02 0.86 -0.54 0.00 0.00 174.62 174.29 1amu s TRP 335 N -2.38 0.53 -0.15 3.99 -0.00 0.15 -1.79 118.94 119.30 1amu s TRP 335 Ca -0.07 -0.10 -0.04 0.00 -0.00 0.00 0.00 56.10 55.89 1amu s TRP 335 Cb -0.02 -0.53 -0.03 0.00 -0.00 0.00 0.00 33.47 32.89 1amu s TRP 335 CO -0.03 -0.15 -0.03 0.54 -0.00 0.00 0.00 176.95 177.27 1amu s VAL 336 N 0.91 3.98 0.63 5.86 0.11 -1.26 -0.03 120.40 130.60 1amu s VAL 336 Ca -0.11 -0.33 -0.17 0.00 -2.93 0.00 0.00 61.98 58.44 1amu s VAL 336 Cb -0.14 -2.73 -0.02 0.00 -1.53 0.00 0.00 36.38 31.96 1amu s VAL 336 CO -0.01 0.51 1.16 0.00 -3.33 0.00 0.00 175.10 173.43 1amu s ALA 337 N 0.19 2.47 0.00 1.54 0.00 0.09 -5.01 121.76 121.04 1amu s ALA 337 Ca -0.01 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.74 1amu s ALA 337 Cb -0.14 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1amu s ALA 337 CO 0.03 -1.24 0.00 0.25 0.00 0.00 0.00 175.76 174.79 1amu n THR 338 N -2.00 0.00 0.20 0.00 -2.24 -1.26 -4.72 114.28 104.26 1amu n THR 338 Ca 0.12 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.98 1amu n THR 338 Cb 0.51 0.00 0.34 0.00 -2.10 0.00 0.00 70.33 69.08 1amu n THR 338 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1amu h LYS 339 N 0.00 0.00 -7.11 -0.78 -0.00 -1.97 -3.46 116.57 103.25 1amu h LYS 339 Ca 0.00 0.00 -0.54 0.00 -0.00 0.00 0.00 60.65 60.11 1amu h LYS 339 Cb 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 32.23 32.37 1amu h LYS 339 CO 0.00 0.31 0.49 -1.83 -0.00 0.00 0.00 179.45 178.41 1amu s GLU 340 N -3.51 2.64 0.35 0.07 -1.05 -1.26 -4.95 118.70 110.98 1amu s GLU 340 Ca 0.01 1.94 -0.28 0.00 -0.15 0.00 0.00 54.97 56.49 1amu s GLU 340 Cb 0.10 -1.87 -0.11 0.00 -0.44 0.00 0.00 34.13 31.80 1amu s GLU 340 CO 0.67 -1.50 1.48 0.25 0.95 0.00 0.00 175.26 177.11 1amu n THR 341 N -1.91 1.78 -3.42 1.83 -2.24 -1.26 -4.99 114.28 104.08 1amu n THR 341 Ca 0.15 -0.45 -0.38 0.00 -2.27 0.00 0.00 64.05 61.10 1amu n THR 341 Cb 0.49 -1.91 -0.07 0.00 -2.10 0.00 0.00 70.33 66.73 1amu n THR 341 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1amu s ILE 342 N -0.87 5.22 0.00 2.28 1.01 -1.26 -5.08 121.20 122.50 1amu s ILE 342 Ca 0.56 0.67 0.00 0.00 0.00 0.00 0.00 60.65 61.88 1amu s ILE 342 Cb -0.49 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.27 1amu s ILE 342 CO 0.60 0.28 0.00 0.61 0.00 0.00 0.00 174.94 176.43 1amu n GLY 343 N 3.85 -1.65 0.12 6.18 0.00 -1.26 -4.89 105.19 107.54 1amu n GLY 343 Ca -0.09 -1.34 0.12 0.00 0.00 0.00 0.00 46.02 44.71 1amu n GLY 343 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1amu n HIS 344 N -0.28 0.79 -3.87 1.61 -0.00 -1.26 -4.73 115.22 107.47 1amu n HIS 344 Ca 0.00 0.30 -0.11 0.00 -0.00 0.00 0.00 57.72 57.90 1amu n HIS 344 Cb 0.00 -0.98 -0.12 0.00 -0.00 0.00 0.00 29.99 28.89 1amu n HIS 344 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1amu s SER 345 N -4.23 -0.00 -0.31 4.39 0.15 -1.26 -4.79 113.70 107.64 1amu s SER 345 Ca 0.05 -0.02 -0.22 0.00 0.70 0.00 0.00 55.95 56.47 1amu s SER 345 Cb 0.10 0.14 -0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1amu s SER 345 CO 0.42 -0.12 0.71 -0.69 1.20 0.00 0.00 173.24 174.77 1amu s VAL 346 N -0.41 4.86 0.73 4.45 1.01 -1.26 -4.95 120.40 124.82 1amu s VAL 346 Ca -0.05 1.01 -0.15 0.00 0.00 0.00 0.00 61.98 62.79 1amu s VAL 346 Cb -0.03 -4.08 0.04 0.00 0.00 0.00 0.00 36.38 32.30 1amu s VAL 346 CO 0.00 -0.21 1.23 -2.84 0.00 0.00 0.00 175.10 173.28 1amu s PRO 347 N 2.80 2.13 0.00 2.72 0.02 -1.26 -4.72 135.00 136.69 1amu s PRO 347 Ca 0.29 1.85 0.28 0.00 0.02 0.00 0.00 61.00 63.44 1amu s PRO 347 Cb -0.14 -1.82 1.12 0.00 0.02 0.00 0.00 34.50 33.67 1amu s PRO 347 CO 0.12 -1.86 1.79 0.44 -0.33 0.00 0.00 177.00 177.16 1amu n ILE 348 N -2.63 0.00 -1.73 2.83 -5.35 -0.52 -4.69 119.36 107.28 1amu n ILE 348 Ca 0.14 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.54 1amu n ILE 348 Cb 0.50 0.03 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 1amu n ILE 348 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1amu n GLY 349 N 1.29 -0.07 3.50 3.28 0.00 -1.19 -2.90 105.19 109.11 1amu n GLY 349 Ca 0.14 -1.49 -0.26 0.00 0.00 0.00 0.00 46.02 44.40 1amu n GLY 349 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1amu s ALA 350 N -1.62 2.77 0.33 4.61 0.00 -0.74 -0.65 121.76 126.46 1amu s ALA 350 Ca 0.00 -1.61 -0.29 0.00 0.00 0.00 0.00 51.96 50.06 1amu s ALA 350 Cb 0.00 -0.51 -0.12 0.00 0.00 0.00 0.00 23.12 22.49 1amu s ALA 350 CO 0.00 0.41 1.50 -0.35 0.00 0.00 0.00 175.76 177.32 1amu n PRO 351 N -0.04 2.57 -1.44 0.00 -0.04 -1.26 -1.98 135.00 132.81 1amu n PRO 351 Ca -0.10 0.91 -0.29 0.00 -0.04 0.00 0.00 63.50 63.97 1amu n PRO 351 Cb 0.57 -2.64 0.19 0.00 -0.04 0.00 0.00 33.50 31.58 1amu n PRO 351 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1amu s ILE 352 N -0.57 1.85 0.27 0.52 -4.36 -0.26 -4.88 121.20 113.77 1amu s ILE 352 Ca 0.59 0.00 -0.30 0.00 -0.26 0.00 0.00 60.65 60.68 1amu s ILE 352 Cb -0.51 -2.70 -0.13 0.00 1.25 0.00 0.00 42.46 40.37 1amu s ILE 352 CO 0.56 0.00 1.40 0.00 0.24 0.00 0.00 174.94 177.14 1amu n GLN 353 N -4.16 2.15 -1.88 0.37 10.64 -1.26 -2.01 117.38 121.22 1amu n GLN 353 Ca 0.11 0.76 -0.16 0.00 -1.83 0.00 0.00 57.00 55.89 1amu n GLN 353 Cb 0.59 -2.41 -0.04 0.00 -0.86 0.00 0.00 30.24 27.52 1amu n GLN 353 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 1amu n ASN 354 N 1.79 -4.78 -4.18 2.61 3.02 -0.12 -4.92 115.26 108.69 1amu n ASN 354 Ca 0.09 0.18 -0.26 0.00 -0.03 0.00 0.00 54.58 54.56 1amu n ASN 354 Cb 0.33 -3.78 -0.16 0.00 -0.61 0.00 0.00 39.78 35.57 1amu n ASN 354 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1amu s THR 355 N -2.68 1.51 -0.03 3.41 2.01 -0.85 -1.53 115.64 117.48 1amu s THR 355 Ca 0.00 -0.80 0.06 0.00 0.31 0.00 0.00 61.69 61.27 1amu s THR 355 Cb 0.00 -1.27 -0.01 0.00 0.01 0.00 0.00 72.50 71.22 1amu s THR 355 CO 0.00 0.43 -0.22 -1.10 -0.69 0.00 0.00 174.62 173.04 1amu s GLN 356 N -0.26 1.92 -0.07 4.92 1.11 -0.29 -4.64 119.66 122.34 1amu s GLN 356 Ca 0.03 -0.79 0.03 0.00 0.01 0.00 0.00 55.36 54.65 1amu s GLN 356 Cb -0.09 -1.78 -0.02 0.00 -1.01 0.00 0.00 33.01 30.11 1amu s GLN 356 CO 0.01 0.43 -0.17 0.42 0.01 0.00 0.00 175.29 175.98 1amu s ILE 357 N -0.39 2.74 -0.09 1.08 -1.09 -1.26 -0.44 121.20 121.75 1amu s ILE 357 Ca 0.05 -0.82 -0.00 0.00 -2.23 0.00 0.00 60.65 57.65 1amu s ILE 357 Cb -0.10 -2.07 0.02 0.00 -1.58 0.00 0.00 42.46 38.73 1amu s ILE 357 CO 0.00 0.57 -0.05 -0.31 -1.23 0.00 0.00 174.94 173.92 1amu s TYR 358 N -0.24 1.11 -0.40 3.97 2.02 -0.10 -4.91 117.35 118.78 1amu s TYR 358 Ca 0.00 -0.46 -0.15 0.00 -0.37 0.00 0.00 57.07 56.09 1amu s TYR 358 Cb -0.13 -1.01 0.02 0.00 -0.40 0.00 0.00 41.96 40.43 1amu s TYR 358 CO 0.03 -0.40 0.32 0.42 -1.57 0.00 0.00 175.55 174.35 1amu s ILE 359 N 1.68 5.23 0.37 2.71 1.01 -1.26 -0.07 121.20 130.87 1amu s ILE 359 Ca 0.02 -0.54 0.05 0.00 0.00 0.00 0.00 60.65 60.18 1amu s ILE 359 Cb -0.13 -3.93 -0.06 0.00 0.01 0.00 0.00 42.46 38.35 1amu s ILE 359 CO -0.06 -0.30 0.05 0.68 0.00 0.00 0.00 174.94 175.31 1amu s VAL 360 N 1.78 1.37 0.03 2.92 -7.23 -0.48 -1.15 120.40 117.65 1amu s VAL 360 Ca 0.07 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.24 1amu s VAL 360 Cb -0.18 -2.77 0.01 0.00 0.56 0.00 0.00 36.38 33.99 1amu s VAL 360 CO 0.11 0.00 0.04 -0.90 -0.31 0.00 0.00 175.10 174.04 1amu n ASP 361 N -0.87 0.07 0.32 4.85 5.68 0.27 -0.52 116.55 126.35 1amu n ASP 361 Ca -0.05 -1.06 0.22 0.00 -0.50 0.00 0.00 54.79 53.40 1amu n ASP 361 Cb 0.67 -0.03 1.16 0.00 -1.14 0.00 0.00 41.12 41.77 1amu n ASP 361 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1amu h GLU 362 N 0.00 0.00 -0.37 0.11 4.11 -2.00 -1.32 114.58 115.12 1amu h GLU 362 Ca -0.01 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.32 1amu h GLU 362 Cb 0.06 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.25 1amu h GLU 362 CO 0.02 0.00 0.03 0.09 0.07 0.00 0.00 179.01 179.21 1amu n ASN 363 N -2.99 3.53 -1.47 3.06 4.13 -1.26 -4.94 115.26 115.31 1amu n ASN 363 Ca -0.03 -3.31 -0.18 0.00 1.68 0.00 0.00 54.58 52.74 1amu n ASN 363 Cb 0.08 -0.61 -0.07 0.00 -1.54 0.00 0.00 39.78 37.64 1amu n ASN 363 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1amu n LEU 364 N -0.70 -1.38 -4.76 3.41 4.77 -0.50 -4.98 117.00 112.87 1amu n LEU 364 Ca 0.29 0.39 -0.39 0.00 -0.03 0.00 0.00 56.01 56.27 1amu n LEU 364 Cb 1.02 -2.56 -0.05 0.00 -2.33 0.00 0.00 43.42 39.49 1amu n LEU 364 CO 0.21 -0.86 0.38 -1.10 -1.33 0.00 0.00 177.39 174.69 1amu s GLN 365 N -3.70 4.41 0.22 3.23 -1.52 -1.26 -4.78 119.66 116.27 1amu s GLN 365 Ca 0.00 0.92 -0.31 0.00 -1.95 0.00 0.00 55.36 54.02 1amu s GLN 365 Cb 0.00 -3.33 -0.11 0.00 -0.22 0.00 0.00 33.01 29.35 1amu s GLN 365 CO 0.00 0.38 1.57 -0.51 -0.25 0.00 0.00 175.29 176.48 1amu s LEU 366 N -0.33 4.37 0.65 2.90 1.43 -1.26 -0.56 118.68 125.87 1amu s LEU 366 Ca 0.34 2.76 -0.11 0.00 -1.03 0.00 0.00 54.13 56.09 1amu s LEU 366 Cb -0.20 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.39 1amu s LEU 366 CO 0.21 -0.84 1.04 -0.54 0.23 0.00 0.00 176.35 176.45 1amu s LYS 367 N 0.37 3.30 0.64 1.70 -0.14 -0.30 -4.86 119.74 120.45 1amu s LYS 367 Ca 0.67 0.88 -0.13 0.00 -1.36 0.00 0.00 55.97 56.03 1amu s LYS 367 Cb -0.45 -2.04 -0.02 0.00 -1.68 0.00 0.00 37.83 33.64 1amu s LYS 367 CO 0.38 -0.81 1.05 -1.12 -0.76 0.00 0.00 175.35 174.10 1amu s SER 368 N -3.86 5.67 0.20 2.83 0.01 -1.26 -4.93 113.70 112.35 1amu s SER 368 Ca 0.57 1.67 -0.32 0.00 1.31 0.00 0.00 55.95 59.18 1amu s SER 368 Cb -0.13 -2.51 -0.13 0.00 0.21 0.00 0.00 66.02 63.46 1amu s SER 368 CO 0.52 -1.25 1.53 0.52 0.41 0.00 0.00 173.24 174.97 1amu n VAL 369 N -2.60 0.43 0.00 3.43 0.31 -1.26 -1.33 118.33 117.31 1amu n VAL 369 Ca 0.08 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1amu n VAL 369 Cb 0.53 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.88 1amu n VAL 369 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1amu n GLY 370 N 2.88 1.82 3.79 2.92 0.00 0.02 -4.98 105.19 111.65 1amu n GLY 370 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1amu n GLY 370 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1amu s GLU 371 N -0.59 4.07 0.35 1.61 2.02 -0.44 -4.88 118.70 120.83 1amu s GLU 371 Ca 0.00 0.34 -0.27 0.00 0.02 0.00 0.00 54.97 55.06 1amu s GLU 371 Cb 0.00 -3.31 -0.09 0.00 0.10 0.00 0.00 34.13 30.83 1amu s GLU 371 CO 0.00 0.47 1.14 0.00 0.02 0.00 0.00 175.26 176.90 1amu s ALA 372 N -0.35 3.27 0.26 5.21 0.00 -1.26 -4.51 121.76 124.38 1amu s ALA 372 Ca 0.22 0.94 -0.17 0.00 0.00 0.00 0.00 51.96 52.95 1amu s ALA 372 Cb -0.15 -3.36 0.06 0.00 0.00 0.00 0.00 23.12 19.67 1amu s ALA 372 CO 0.10 -0.37 0.85 0.41 0.00 0.00 0.00 175.76 176.76 1amu n GLY 373 N 0.80 0.84 3.71 0.00 0.00 -0.58 -4.96 105.19 105.00 1amu n GLY 373 Ca 0.02 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 1amu n GLY 373 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1amu s GLU 374 N -2.06 4.57 -0.14 1.61 2.12 0.32 -1.56 118.70 123.55 1amu s GLU 374 Ca 0.18 1.42 -0.29 0.00 0.36 0.00 0.00 54.97 56.64 1amu s GLU 374 Cb -0.04 -3.46 -0.01 0.00 0.26 0.00 0.00 34.13 30.88 1amu s GLU 374 CO 0.08 -0.04 1.18 -1.17 -0.54 0.00 0.00 175.26 174.77 1amu s LEU 375 N 0.96 4.20 0.06 2.70 0.20 0.12 -1.38 118.68 125.54 1amu s LEU 375 Ca 0.52 1.65 0.09 0.00 0.69 0.00 0.00 54.13 57.08 1amu s LEU 375 Cb -0.21 -3.55 -0.03 0.00 -0.43 0.00 0.00 46.19 41.97 1amu s LEU 375 CO 0.28 -0.66 -0.25 0.00 -0.29 0.00 0.00 176.35 175.42 1amu s ILE 377 N -0.88 2.10 0.25 0.00 1.01 0.54 -0.93 121.20 123.30 1amu s ILE 377 Ca 0.13 -1.07 0.05 0.00 0.00 0.00 0.00 60.65 59.77 1amu s ILE 377 Cb -0.10 -1.75 -0.05 0.00 0.01 0.00 0.00 42.46 40.57 1amu s ILE 377 CO 0.03 0.57 -0.05 -0.83 0.00 0.00 0.00 174.94 174.67 1amu s GLY 378 N -0.34 1.66 0.00 6.18 0.00 0.42 -0.26 107.32 114.97 1amu s GLY 378 Ca 0.02 -1.81 0.00 0.00 0.00 0.00 0.00 44.72 42.92 1amu s GLY 378 CO 0.02 -1.76 0.00 0.61 0.00 0.00 0.00 173.10 171.97 1amu n GLY 379 N -0.49 0.59 0.07 0.20 0.00 -1.26 -1.14 105.19 103.16 1amu n GLY 379 Ca -0.06 -2.15 0.11 0.00 0.00 0.00 0.00 46.02 43.92 1amu n GLY 379 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1amu n GLU 380 N 0.00 0.12 0.07 1.61 -0.58 -0.58 -3.17 120.64 118.10 1amu n GLU 380 Ca 0.00 0.27 0.12 0.00 -0.42 0.00 0.00 57.16 57.13 1amu n GLU 380 Cb 0.00 -1.69 0.25 0.00 -0.57 0.00 0.00 31.44 29.43 1amu n GLU 380 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1amu n GLY 381 N 0.46 -1.48 3.67 0.62 0.00 -1.26 -3.69 105.19 103.50 1amu n GLY 381 Ca 0.04 -0.19 -0.47 0.00 0.00 0.00 0.00 46.02 45.39 1amu n GLY 381 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1amu n LEU 382 N -2.09 3.03 -4.68 0.99 4.32 -1.19 -2.08 117.00 115.31 1amu n LEU 382 Ca 0.04 1.06 -0.31 0.00 -0.02 0.00 0.00 56.01 56.79 1amu n LEU 382 Cb 0.43 -1.39 0.16 0.00 -1.62 0.00 0.00 43.42 40.99 1amu n LEU 382 CO 0.34 -0.31 0.67 0.00 -1.22 0.00 0.00 177.39 176.88 1amu s ALA 383 N 1.54 1.47 0.31 -1.18 0.00 0.23 -4.84 121.76 119.29 1amu s ALA 383 Ca 0.82 0.45 0.15 0.00 0.00 0.00 0.00 51.96 53.38 1amu s ALA 383 Cb -0.71 -3.39 0.71 0.00 0.00 0.00 0.00 23.12 19.73 1amu s ALA 383 CO 0.42 -2.65 1.79 -0.09 0.00 0.00 0.00 175.76 175.23 1amu h ARG 384 N -1.78 0.00 0.00 0.00 2.43 -1.23 -3.49 114.38 110.30 1amu h ARG 384 Ca -0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1amu h ARG 384 Cb 1.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1amu h ARG 384 CO 0.45 0.40 0.00 0.41 -1.51 0.00 0.00 179.97 179.71 1amu n GLY 385 N -0.20 0.72 3.70 2.80 0.00 -1.25 -5.02 105.19 105.95 1amu n GLY 385 Ca -0.01 -1.69 -0.35 0.00 0.00 0.00 0.00 46.02 43.96 1amu n GLY 385 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1amu s TYR 386 N -3.31 3.33 -0.13 1.61 2.02 -1.26 -0.83 117.35 118.78 1amu s TYR 386 Ca 0.00 0.22 -0.32 0.00 -0.37 0.00 0.00 57.07 56.59 1amu s TYR 386 Cb 0.00 -2.03 -0.10 0.00 -0.40 0.00 0.00 41.96 39.43 1amu s TYR 386 CO 0.00 0.33 2.01 1.87 -1.57 0.00 0.00 175.55 178.19 1amu n TRP 387 N 3.05 2.19 -2.69 2.71 -0.00 0.99 -2.17 117.44 121.51 1amu n TRP 387 Ca -0.17 -0.06 -0.18 0.00 -0.00 0.00 0.00 57.50 57.09 1amu n TRP 387 Cb 0.53 -2.68 0.00 0.00 -0.00 0.00 0.00 31.31 29.16 1amu n TRP 387 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1amu n LYS 388 N 7.43 -2.80 -3.33 5.87 5.02 -1.26 -4.71 118.16 124.38 1amu n LYS 388 Ca 0.26 0.75 -0.26 0.00 -2.02 0.00 0.00 58.31 57.04 1amu n LYS 388 Cb 0.33 -5.43 -0.08 0.00 -0.02 0.00 0.00 35.03 29.83 1amu n LYS 388 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1amu n ARG 389 N -3.25 1.44 -0.16 1.97 1.74 -0.92 -4.98 116.66 112.50 1amu n ARG 389 Ca -0.15 -3.84 -0.03 0.00 -0.77 0.00 0.00 57.85 53.06 1amu n ARG 389 Cb 0.62 -1.70 0.06 0.00 -1.02 0.00 0.00 32.46 30.43 1amu n ARG 389 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1amu h PRO 390 N 4.23 0.36 -0.23 5.56 0.11 -1.92 -1.37 132.00 138.74 1amu h PRO 390 Ca 0.14 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.18 1amu h PRO 390 Cb 0.79 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 1amu h PRO 390 CO 0.61 0.24 -0.04 1.49 -0.21 0.00 0.00 178.00 180.09 1amu h GLU 391 N 0.37 0.43 -0.46 1.05 4.57 -1.97 -1.81 114.58 116.76 1amu h GLU 391 Ca 0.24 -0.16 -0.08 0.00 -1.18 0.00 0.00 59.36 58.19 1amu h GLU 391 Cb 0.25 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 1amu h GLU 391 CO -0.24 0.66 -0.02 1.25 -1.18 0.00 0.00 179.01 179.47 1amu h LEU 392 N 0.17 0.75 -0.16 1.64 5.85 -1.97 -2.19 115.31 119.39 1amu h LEU 392 Ca 0.06 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.61 1amu h LEU 392 Cb 0.49 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1amu h LEU 392 CO 0.02 0.83 0.05 0.74 -0.34 0.00 0.00 178.44 179.74 1amu h THR 393 N 0.72 0.96 0.00 1.05 2.02 -1.12 -1.28 112.91 115.26 1amu h THR 393 Ca 0.14 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.25 1amu h THR 393 Cb 0.47 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1amu h THR 393 CO 0.02 0.02 -0.10 0.77 0.37 0.00 0.00 175.52 176.61 1amu h SER 394 N 0.13 0.00 0.55 4.18 4.64 -1.05 0.42 113.55 122.42 1amu h SER 394 Ca 0.07 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.10 1amu h SER 394 Cb 0.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1amu h SER 394 CO -0.08 0.10 -1.37 1.56 -0.87 0.00 0.00 176.83 176.17 1amu h GLN 395 N 0.00 0.26 0.07 4.77 4.20 -0.92 -3.37 115.11 120.12 1amu h GLN 395 Ca -0.00 -0.45 -0.36 0.00 0.06 0.00 0.00 58.65 57.90 1amu h GLN 395 Cb 0.44 0.17 -0.04 0.00 0.30 0.00 0.00 27.48 28.35 1amu h GLN 395 CO 0.01 1.17 -2.08 1.63 -0.67 0.00 0.00 178.83 178.89 1amu n LYS 396 N -3.50 0.71 -3.49 1.46 4.76 -0.53 -4.61 118.16 112.97 1amu n LYS 396 Ca -0.12 0.23 -0.42 0.00 -2.87 0.00 0.00 58.31 55.12 1amu n LYS 396 Cb 1.03 -1.67 -0.05 0.00 -1.84 0.00 0.00 35.03 32.51 1amu n LYS 396 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1amu s PHE 397 N -2.55 3.72 0.55 2.13 0.40 0.15 -1.26 117.98 121.11 1amu s PHE 397 Ca -0.21 -2.42 -0.01 0.00 -0.60 0.00 0.00 56.93 53.69 1amu s PHE 397 Cb 0.07 -3.56 0.03 0.00 0.51 0.00 0.00 43.02 40.07 1amu s PHE 397 CO 0.75 -0.91 0.80 0.14 0.70 0.00 0.00 175.22 176.69 1amu s VAL 398 N -0.24 3.04 0.25 -0.44 -7.23 -0.33 -4.41 120.40 111.03 1amu s VAL 398 Ca 0.20 -0.50 -0.30 0.00 -1.81 0.00 0.00 61.98 59.57 1amu s VAL 398 Cb -0.13 -3.16 -0.11 0.00 0.56 0.00 0.00 36.38 33.54 1amu s VAL 398 CO -0.07 -0.13 1.53 -1.81 -0.31 0.00 0.00 175.10 174.31 1amu s ASP 399 N -4.38 6.53 -0.48 4.85 1.01 -1.26 0.29 116.67 123.23 1amu s ASP 399 Ca 0.55 2.77 -0.29 0.00 0.71 0.00 0.00 52.55 56.29 1amu s ASP 399 Cb -0.10 -2.62 0.02 0.00 1.01 0.00 0.00 42.92 41.23 1amu s ASP 399 CO 0.40 -0.81 1.23 0.21 0.21 0.00 0.00 175.17 176.41 1amu s ASN 400 N 0.58 6.50 0.10 0.27 3.84 0.02 -4.60 114.94 121.65 1amu s ASN 400 Ca 0.63 0.48 0.20 0.00 0.21 0.00 0.00 52.86 54.39 1amu s ASN 400 Cb -0.45 -2.55 0.84 0.00 -0.55 0.00 0.00 41.25 38.54 1amu s ASN 400 CO 0.42 -1.37 1.64 -0.81 -2.79 0.00 0.00 177.10 174.19 1amu n PRO 401 N 8.05 0.09 -0.03 0.43 -0.04 -1.26 -3.22 135.00 139.02 1amu n PRO 401 Ca 0.13 0.27 0.01 0.00 -0.04 0.00 0.00 63.50 63.87 1amu n PRO 401 Cb 0.49 -1.64 -0.14 0.00 -0.04 0.00 0.00 33.50 32.16 1amu n PRO 401 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1amu n PHE 402 N -1.80 0.26 -3.52 0.54 3.72 -1.26 -4.65 117.46 110.76 1amu n PHE 402 Ca 0.04 0.09 -0.28 0.00 -0.05 0.00 0.00 57.45 57.24 1amu n PHE 402 Cb 0.24 -0.82 -0.11 0.00 -0.94 0.00 0.00 39.48 37.84 1amu n PHE 402 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1amu s VAL 403 N -3.03 0.71 0.18 -4.37 1.01 -1.20 -5.12 120.40 108.58 1amu s VAL 403 Ca -0.07 -2.49 -0.33 0.00 0.00 0.00 0.00 61.98 59.09 1amu s VAL 403 Cb 0.10 -1.50 -0.15 0.00 0.00 0.00 0.00 36.38 34.84 1amu s VAL 403 CO 0.86 -1.08 1.37 -0.81 0.00 0.00 0.00 175.10 175.44 1amu n PRO 404 N 3.26 1.69 0.00 2.72 -0.04 -1.22 -1.69 135.00 139.71 1amu n PRO 404 Ca 0.20 0.60 0.00 0.00 -0.04 0.00 0.00 63.50 64.26 1amu n PRO 404 Cb 0.41 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 1amu n PRO 404 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1amu n GLY 405 N 2.44 2.95 3.97 0.55 0.00 -1.26 -5.06 105.19 108.78 1amu n GLY 405 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 1amu n GLY 405 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1amu s GLU 406 N -0.40 2.63 0.34 1.61 2.02 -0.68 -5.00 118.70 119.23 1amu s GLU 406 Ca 0.00 -1.43 0.07 0.00 0.02 0.00 0.00 54.97 53.63 1amu s GLU 406 Cb 0.00 -2.60 -0.02 0.00 0.10 0.00 0.00 34.13 31.62 1amu s GLU 406 CO 0.00 -0.36 0.40 0.15 0.02 0.00 0.00 175.26 175.46 1amu s LYS 407 N -4.34 2.91 -0.07 1.61 -0.14 -1.26 -0.80 119.74 117.65 1amu s LYS 407 Ca 0.53 -1.17 0.00 0.00 -1.36 0.00 0.00 55.97 53.97 1amu s LYS 407 Cb -0.07 -2.65 0.02 0.00 -1.68 0.00 0.00 37.83 33.45 1amu s LYS 407 CO 0.32 0.04 -0.04 -1.17 -0.76 0.00 0.00 175.35 173.74 1amu s LEU 408 N -4.11 1.08 -0.25 3.17 2.96 0.15 -4.52 118.68 117.16 1amu s LEU 408 Ca 0.44 -0.16 -0.18 0.00 -0.22 0.00 0.00 54.13 54.01 1amu s LEU 408 Cb -0.08 -0.55 -0.03 0.00 0.50 0.00 0.00 46.19 46.03 1amu s LEU 408 CO 0.29 -0.11 0.50 -0.47 -1.32 0.00 0.00 176.35 175.24 1amu s TYR 409 N 1.40 3.29 -0.40 5.38 5.04 0.63 -1.19 117.35 131.51 1amu s TYR 409 Ca -0.03 0.64 -0.22 0.00 -2.44 0.00 0.00 57.07 55.02 1amu s TYR 409 Cb -0.13 -2.69 0.01 0.00 0.35 0.00 0.00 41.96 39.50 1amu s TYR 409 CO -0.03 -0.23 0.71 0.15 -1.34 0.00 0.00 175.55 174.81 1amu s LYS 410 N 2.12 3.55 0.31 4.97 1.02 -0.39 -0.34 119.74 130.98 1amu s LYS 410 Ca 0.21 -0.01 0.16 0.00 0.02 0.00 0.00 55.97 56.35 1amu s LYS 410 Cb -0.16 -3.87 0.34 0.00 -0.52 0.00 0.00 37.83 33.62 1amu s LYS 410 CO 0.09 -0.91 1.57 1.79 -0.92 0.00 0.00 175.35 176.97 1amu h THR 411 N 5.81 0.98 0.00 2.17 1.35 -1.81 -3.47 112.91 117.93 1amu h THR 411 Ca -0.25 -2.01 0.00 0.00 -0.55 0.00 0.00 66.41 63.60 1amu h THR 411 Cb 1.10 2.22 0.00 0.00 -1.73 0.00 0.00 68.15 69.74 1amu h THR 411 CO 0.90 0.49 0.00 0.61 -0.25 0.00 0.00 175.52 177.26 1amu n GLY 412 N 0.74 0.73 3.88 5.82 0.00 -1.26 -5.03 105.19 110.07 1amu n GLY 412 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1amu n GLY 412 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1amu s ASP 413 N -2.44 6.51 -0.07 1.61 1.01 -1.26 -1.42 116.67 120.61 1amu s ASP 413 Ca 0.00 0.58 -0.11 0.00 0.71 0.00 0.00 52.55 53.73 1amu s ASP 413 Cb 0.00 -2.10 -0.05 0.00 1.01 0.00 0.00 42.92 41.78 1amu s ASP 413 CO 0.00 0.25 0.28 -1.58 0.21 0.00 0.00 175.17 174.33 1amu s GLN 414 N -1.73 3.72 0.32 8.23 2.00 0.99 -0.71 119.66 132.48 1amu s GLN 414 Ca 0.27 0.14 -0.19 0.00 -2.00 0.00 0.00 55.36 53.59 1amu s GLN 414 Cb -0.13 -3.22 0.04 0.00 0.80 0.00 0.00 33.01 30.50 1amu s GLN 414 CO 0.16 0.70 0.77 0.00 -0.50 0.00 0.00 175.29 176.42 1amu s ALA 415 N -0.94 -1.05 0.01 1.58 0.00 -0.60 -0.51 121.76 120.25 1amu s ALA 415 Ca 0.19 -0.48 -0.15 0.00 0.00 0.00 0.00 51.96 51.53 1amu s ALA 415 Cb -0.14 0.76 0.02 0.00 0.00 0.00 0.00 23.12 23.76 1amu s ALA 415 CO 0.08 -1.02 0.31 -0.98 0.00 0.00 0.00 175.76 174.16 1amu s ARG 416 N -3.12 0.74 0.04 0.00 1.70 -0.58 -1.52 118.95 116.20 1amu s ARG 416 Ca 0.13 -0.33 -0.28 0.00 -0.47 0.00 0.00 55.73 54.78 1amu s ARG 416 Cb -0.05 0.33 -0.05 0.00 -0.57 0.00 0.00 34.95 34.61 1amu s ARG 416 CO 0.09 -0.22 0.90 -1.58 -1.08 0.00 0.00 175.30 173.41 1amu s TRP 417 N -1.91 3.72 0.76 5.89 0.52 -1.26 -0.30 118.94 126.36 1amu s TRP 417 Ca -0.09 1.64 -0.06 0.00 0.02 0.00 0.00 56.10 57.61 1amu s TRP 417 Cb -0.03 -3.01 0.12 0.00 -1.15 0.00 0.00 33.47 29.40 1amu s TRP 417 CO 0.01 0.13 1.06 -0.51 0.02 0.00 0.00 176.95 177.65 1amu s LEU 418 N 0.43 2.90 0.00 2.99 1.43 0.05 -0.80 118.68 125.68 1amu s LEU 418 Ca 0.46 0.05 0.27 0.00 -1.03 0.00 0.00 54.13 53.87 1amu s LEU 418 Cb -0.21 -2.46 0.79 0.00 0.03 0.00 0.00 46.19 44.34 1amu s LEU 418 CO 0.27 -1.92 1.59 -1.54 0.23 0.00 0.00 176.35 174.98 1amu n SER 419 N -3.03 1.85 -1.33 2.29 3.41 -1.26 -4.02 113.62 111.53 1amu n SER 419 Ca 0.12 -1.58 0.07 0.00 -0.26 0.00 0.00 58.87 57.23 1amu n SER 419 Cb 0.60 0.02 0.28 0.00 -0.26 0.00 0.00 64.21 64.86 1amu n SER 419 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1amu n ASP 420 N 0.40 3.89 0.00 4.04 5.75 -1.26 -4.90 116.55 124.47 1amu n ASP 420 Ca 0.17 -2.37 0.00 0.00 -0.01 0.00 0.00 54.79 52.58 1amu n ASP 420 Cb 0.42 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 1amu n ASP 420 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1amu n GLY 421 N 0.93 0.77 3.72 6.12 0.00 -1.26 -5.05 105.19 110.42 1amu n GLY 421 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1amu n GLY 421 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1amu s ASN 422 N -2.79 5.24 -0.03 1.61 0.01 -1.26 -4.41 114.94 113.30 1amu s ASN 422 Ca 0.00 -0.07 -0.10 0.00 -0.71 0.00 0.00 52.86 51.99 1amu s ASN 422 Cb 0.00 -1.34 -0.05 0.00 0.41 0.00 0.00 41.25 40.27 1amu s ASN 422 CO 0.00 0.20 0.28 -0.63 -1.51 0.00 0.00 177.10 175.44 1amu s ILE 423 N -1.28 5.27 -0.20 0.60 1.01 0.18 -0.77 121.20 126.00 1amu s ILE 423 Ca 0.25 0.42 -0.05 0.00 0.00 0.00 0.00 60.65 61.27 1amu s ILE 423 Cb -0.12 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 1amu s ILE 423 CO 0.17 0.52 0.01 -0.70 0.00 0.00 0.00 174.94 174.94 1amu s GLU 424 N -1.30 3.63 0.04 2.79 2.12 0.59 -1.43 118.70 125.14 1amu s GLU 424 Ca 0.22 -0.51 -0.30 0.00 0.36 0.00 0.00 54.97 54.74 1amu s GLU 424 Cb -0.14 -3.10 -0.04 0.00 0.26 0.00 0.00 34.13 31.11 1amu s GLU 424 CO 0.11 0.00 0.96 -0.47 -0.54 0.00 0.00 175.26 175.33 1amu s TYR 425 N 1.03 3.72 -0.21 5.30 5.04 -1.26 -1.53 117.35 129.44 1amu s TYR 425 Ca 0.02 1.73 0.02 0.00 -2.44 0.00 0.00 57.07 56.40 1amu s TYR 425 Cb -0.14 -3.08 0.05 0.00 0.35 0.00 0.00 41.96 39.13 1amu s TYR 425 CO 0.02 0.08 0.92 1.28 -1.34 0.00 0.00 175.55 176.50 1amu n LEU 426 N 3.44 1.90 0.00 6.97 4.77 0.34 -4.96 117.00 129.46 1amu n LEU 426 Ca 0.04 -1.72 0.00 0.00 -0.03 0.00 0.00 56.01 54.30 1amu n LEU 426 Cb 0.50 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1amu n LEU 426 CO 0.51 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 1amu n GLY 427 N -0.18 1.00 3.76 -0.72 0.00 -1.19 -4.79 105.19 103.06 1amu n GLY 427 Ca 0.02 -2.11 -0.40 0.00 0.00 0.00 0.00 46.02 43.54 1amu n GLY 427 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1amu s ARG 428 N -1.44 4.71 0.44 1.61 1.81 -1.26 -0.01 118.95 124.80 1amu s ARG 428 Ca 0.00 1.60 0.13 0.00 -1.72 0.00 0.00 55.73 55.74 1amu s ARG 428 Cb 0.00 -3.16 0.96 0.00 -0.45 0.00 0.00 34.95 32.31 1amu s ARG 428 CO 0.00 0.34 1.99 0.82 -0.68 0.00 0.00 175.30 177.77 1amu h ILE 429 N 3.02 1.13 -0.16 1.52 2.04 -1.56 -1.96 117.51 121.54 1amu h ILE 429 Ca -0.46 -0.57 -0.06 0.00 1.00 0.00 0.00 64.86 64.77 1amu h ILE 429 Cb 1.20 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 1amu h ILE 429 CO 0.67 0.17 -0.17 0.44 0.00 0.00 0.00 178.15 179.26 1amu h ASP 430 N 0.09 0.25 0.00 1.72 3.32 -1.93 -2.65 116.42 117.23 1amu h ASP 430 Ca 0.02 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1amu h ASP 430 Cb 0.28 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1amu h ASP 430 CO 0.02 0.45 0.00 0.59 -1.72 0.00 0.00 179.24 178.57 1amu n ASN 431 N -4.23 0.27 -4.47 6.45 3.02 -0.74 -4.65 115.26 110.92 1amu n ASN 431 Ca -0.01 -1.97 -0.43 0.00 -0.03 0.00 0.00 54.58 52.14 1amu n ASN 431 Cb 0.30 -0.14 -0.07 0.00 -0.61 0.00 0.00 39.78 39.27 1amu n ASN 431 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1amu s GLN 432 N -1.72 3.16 0.19 3.52 -0.21 -1.00 -1.92 119.66 121.68 1amu s GLN 432 Ca 0.00 -0.72 0.09 0.00 0.02 0.00 0.00 55.36 54.75 1amu s GLN 432 Cb 0.00 -4.04 -0.04 0.00 1.00 0.00 0.00 33.01 29.93 1amu s GLN 432 CO 0.00 -1.12 -0.07 0.14 -2.12 0.00 0.00 175.29 172.12 1amu s VAL 433 N 2.64 3.30 -0.20 1.09 -7.23 -0.05 -4.91 120.40 115.04 1amu s VAL 433 Ca 0.17 -1.65 -0.10 0.00 -1.81 0.00 0.00 61.98 58.60 1amu s VAL 433 Cb -0.17 -2.65 -0.05 0.00 0.56 0.00 0.00 36.38 34.07 1amu s VAL 433 CO 0.14 -0.14 0.12 -1.59 -0.31 0.00 0.00 175.10 173.32 1amu s LYS 434 N -2.93 4.14 -0.09 4.82 0.00 -1.26 0.20 119.74 124.62 1amu s LYS 434 Ca 0.26 -0.25 -0.02 0.00 0.00 0.00 0.00 55.97 55.96 1amu s LYS 434 Cb -0.09 -3.39 0.04 0.00 0.00 0.00 0.00 37.83 34.39 1amu s LYS 434 CO 0.16 0.28 0.03 0.42 0.00 0.00 0.00 175.35 176.24 1amu s ILE 435 N 0.41 0.24 -1.25 3.79 1.01 0.85 -4.82 121.20 121.42 1amu s ILE 435 Ca 0.07 0.06 -0.01 0.00 0.00 0.00 0.00 60.65 60.77 1amu s ILE 435 Cb -0.11 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 41.83 1amu s ILE 435 CO -0.01 0.11 0.93 -2.11 0.00 0.00 0.00 174.94 173.86 1amu n ARG 436 N 5.18 -6.25 0.00 2.79 1.85 -1.26 -2.23 116.66 116.74 1amu n ARG 436 Ca -0.06 0.78 0.00 0.00 -1.00 0.00 0.00 57.85 57.57 1amu n ARG 436 Cb 0.49 -5.68 0.00 0.00 -1.05 0.00 0.00 32.46 26.23 1amu n ARG 436 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1amu n GLY 437 N -1.33 1.01 3.76 2.89 0.00 -1.26 -4.95 105.19 105.31 1amu n GLY 437 Ca -0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 1amu n GLY 437 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1amu s HIS 438 N 0.00 3.20 0.15 1.61 3.76 -0.95 -4.96 115.29 118.11 1amu s HIS 438 Ca 0.00 1.40 -0.29 0.00 -0.15 0.00 0.00 55.06 56.02 1amu s HIS 438 Cb 0.00 -3.59 -0.07 0.00 1.11 0.00 0.00 32.58 30.03 1amu s HIS 438 CO 0.00 -1.65 0.92 -0.98 -0.85 0.00 0.00 174.74 172.19 1amu s ARG 439 N -1.23 4.72 -0.03 1.40 3.03 -1.26 -0.10 118.95 125.48 1amu s ARG 439 Ca 0.50 1.41 0.03 0.00 2.03 0.00 0.00 55.73 59.70 1amu s ARG 439 Cb -0.37 -3.34 -0.00 0.00 -1.03 0.00 0.00 34.95 30.21 1amu s ARG 439 CO 0.46 0.34 -0.12 0.08 -1.13 0.00 0.00 175.30 174.94 1amu s VAL 440 N -0.47 1.01 -0.33 4.99 1.01 0.13 -4.93 120.40 121.82 1amu s VAL 440 Ca 0.43 -0.49 -0.11 0.00 0.00 0.00 0.00 61.98 61.81 1amu s VAL 440 Cb -0.24 -0.88 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 1amu s VAL 440 CO 0.30 0.30 0.19 -1.61 0.00 0.00 0.00 175.10 174.28 1amu s GLU 441 N 0.09 3.33 0.33 2.72 2.02 -1.26 -0.87 118.70 125.04 1amu s GLU 441 Ca -0.02 -0.74 0.07 0.00 0.02 0.00 0.00 54.97 54.30 1amu s GLU 441 Cb -0.09 -3.66 0.76 0.00 0.10 0.00 0.00 34.13 31.24 1amu s GLU 441 CO 0.01 -0.46 1.82 -0.07 0.02 0.00 0.00 175.26 176.58 1amu h LEU 442 N 8.41 0.74 -1.61 1.80 3.38 -1.76 -1.07 115.31 125.20 1amu h LEU 442 Ca -0.31 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 1amu h LEU 442 Cb 1.14 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1amu h LEU 442 CO 0.63 0.33 -0.20 -0.33 0.09 0.00 0.00 178.44 178.96 1amu h GLU 443 N 0.76 0.00 -0.25 1.13 3.07 -1.87 -1.79 114.58 115.62 1amu h GLU 443 Ca 0.52 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 59.18 1amu h GLU 443 Cb 0.80 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.71 1amu h GLU 443 CO -0.28 0.20 -0.62 1.49 -1.40 0.00 0.00 179.01 178.39 1amu h GLU 444 N 0.00 0.86 -0.57 2.33 4.81 -1.50 -0.85 114.58 119.66 1amu h GLU 444 Ca -0.00 -0.59 -0.03 0.00 -0.13 0.00 0.00 59.36 58.61 1amu h GLU 444 Cb 0.35 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 1amu h GLU 444 CO 0.03 1.22 0.24 0.28 -0.73 0.00 0.00 179.01 180.04 1amu h VAL 445 N 0.64 1.22 -0.02 0.32 2.07 -1.35 -0.75 116.25 118.37 1amu h VAL 445 Ca -0.01 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1amu h VAL 445 Cb 1.24 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1amu h VAL 445 CO 0.13 0.26 0.01 -0.33 0.02 0.00 0.00 177.57 177.67 1amu h GLU 446 N 0.78 0.03 -0.63 1.57 5.08 -1.25 -1.07 114.58 119.08 1amu h GLU 446 Ca 0.19 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.46 1amu h GLU 446 Cb 0.18 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1amu h GLU 446 CO -0.02 0.02 0.05 0.66 -1.00 0.00 0.00 179.01 178.72 1amu h SER 447 N 0.03 1.05 -0.42 1.42 4.64 -0.98 -1.33 113.55 117.95 1amu h SER 447 Ca 0.01 -0.28 -0.07 0.00 -0.47 0.00 0.00 61.79 60.98 1amu h SER 447 Cb -0.00 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.79 1amu h SER 447 CO -0.00 1.07 -0.01 0.40 -0.87 0.00 0.00 176.83 177.41 1amu h ILE 448 N 1.00 1.26 -0.63 0.95 2.04 -1.00 -2.86 117.51 118.27 1amu h ILE 448 Ca 0.19 -1.05 -0.04 0.00 1.00 0.00 0.00 64.86 64.95 1amu h ILE 448 Cb 0.50 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 1amu h ILE 448 CO 0.02 0.36 0.23 -0.07 0.00 0.00 0.00 178.15 178.69 1amu h LEU 449 N 0.59 0.86 -2.67 1.44 3.38 -1.06 -1.98 115.31 115.87 1amu h LEU 449 Ca 0.12 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1amu h LEU 449 Cb 0.51 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1amu h LEU 449 CO 0.02 0.79 -0.01 0.25 0.09 0.00 0.00 178.44 179.59 1amu h LEU 450 N 0.92 0.00 -2.61 1.67 5.85 -1.01 -1.69 115.31 118.43 1amu h LEU 450 Ca 0.21 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1amu h LEU 450 Cb 0.21 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 1amu h LEU 450 CO -0.02 0.01 -0.01 0.11 -0.34 0.00 0.00 178.44 178.19 1amu h LYS 451 N 0.00 0.00 -6.25 1.25 1.57 -1.25 -3.43 116.57 108.46 1amu h LYS 451 Ca -0.00 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.15 1amu h LYS 451 Cb 0.02 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.35 1amu h LYS 451 CO 0.00 0.01 1.10 1.58 -0.57 0.00 0.00 179.45 181.58 1amu n HIS 452 N -3.31 2.29 -0.30 -1.35 -0.00 -0.64 -4.81 115.22 107.10 1amu n HIS 452 Ca -0.03 0.03 0.34 0.00 0.46 0.00 0.00 57.72 58.53 1amu n HIS 452 Cb 0.11 -2.65 0.64 0.00 -0.12 0.00 0.00 29.99 27.97 1amu n HIS 452 CO 0.00 0.00 0.00 1.98 0.46 0.00 0.00 176.34 178.78 1amu h MET 453 N 9.25 0.00 -0.01 1.57 4.05 -1.90 -0.45 114.93 127.44 1amu h MET 453 Ca -0.48 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.94 1amu h MET 453 Cb 1.28 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.08 1amu h MET 453 CO 0.95 0.00 -0.11 0.66 0.23 0.00 0.00 176.91 178.65 1amu n TYR 454 N -3.64 0.00 -3.31 1.39 4.01 -1.26 -4.95 117.16 109.39 1amu n TYR 454 Ca 0.26 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.61 1amu n TYR 454 Cb 1.44 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 40.40 1amu n TYR 454 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1amu s ILE 455 N -1.18 5.14 -0.12 -0.72 1.01 -0.18 -4.16 121.20 121.00 1amu s ILE 455 Ca 0.11 0.80 0.17 0.00 0.00 0.00 0.00 60.65 61.73 1amu s ILE 455 Cb 0.09 -3.78 -0.21 0.00 0.01 0.00 0.00 42.46 38.57 1amu s ILE 455 CO 0.20 0.18 0.52 -1.54 0.00 0.00 0.00 174.94 174.31 1amu n SER 456 N 4.90 0.51 -3.83 3.58 3.41 -0.00 -4.78 113.62 117.40 1amu n SER 456 Ca -0.06 0.23 -0.12 0.00 -0.26 0.00 0.00 58.87 58.66 1amu n SER 456 Cb 0.51 0.57 -0.10 0.00 -0.26 0.00 0.00 64.21 64.93 1amu n SER 456 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1amu s GLU 457 N -2.79 0.54 0.04 4.33 2.02 -1.22 -4.99 118.70 116.62 1amu s GLU 457 Ca -0.06 -0.32 -0.02 0.00 0.02 0.00 0.00 54.97 54.59 1amu s GLU 457 Cb 0.08 0.23 -0.03 0.00 0.10 0.00 0.00 34.13 34.52 1amu s GLU 457 CO 0.83 -0.13 0.01 0.95 0.02 0.00 0.00 175.26 176.94 1amu s THR 458 N -1.33 0.17 -0.19 3.63 -4.23 -1.26 -1.51 115.64 110.92 1amu s THR 458 Ca -0.14 -1.38 -0.16 0.00 -1.18 0.00 0.00 61.69 58.84 1amu s THR 458 Cb -0.07 -1.04 0.05 0.00 1.34 0.00 0.00 72.50 72.79 1amu s THR 458 CO 0.02 -0.76 0.50 0.00 -0.54 0.00 0.00 174.62 173.85 1amu s ALA 459 N -2.97 -1.27 -0.05 3.99 0.00 0.19 -4.98 121.76 116.67 1amu s ALA 459 Ca -0.02 1.54 0.04 0.00 0.00 0.00 0.00 51.96 53.52 1amu s ALA 459 Cb 0.01 -0.90 -0.00 0.00 0.00 0.00 0.00 23.12 22.23 1amu s ALA 459 CO -0.06 -0.26 -0.19 0.08 0.00 0.00 0.00 175.76 175.33 1amu s VAL 460 N 0.61 1.58 0.29 0.00 1.01 -1.26 0.28 120.40 122.91 1amu s VAL 460 Ca -0.03 -0.79 0.09 0.00 0.00 0.00 0.00 61.98 61.25 1amu s VAL 460 Cb -0.05 -1.36 -0.06 0.00 0.00 0.00 0.00 36.38 34.92 1amu s VAL 460 CO -0.04 0.45 -0.11 -0.44 0.00 0.00 0.00 175.10 174.96 1amu s SER 461 N 0.09 3.18 -0.05 3.32 0.01 -0.05 -4.96 113.70 115.25 1amu s SER 461 Ca -0.06 -1.14 0.06 0.00 1.31 0.00 0.00 55.95 56.12 1amu s SER 461 Cb -0.13 -0.24 -0.02 0.00 0.21 0.00 0.00 66.02 65.84 1amu s SER 461 CO 0.03 -0.20 -0.23 -0.69 0.41 0.00 0.00 173.24 172.56 1amu s VAL 462 N -2.79 2.27 0.27 3.43 1.01 -1.26 -1.06 120.40 122.26 1amu s VAL 462 Ca 0.29 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1amu s VAL 462 Cb 0.01 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1amu s VAL 462 CO 0.13 0.57 0.16 -1.00 0.00 0.00 0.00 175.10 174.97 1amu s HIS 463 N -0.37 1.48 -0.04 5.22 3.76 -0.61 -4.96 115.29 119.76 1amu s HIS 463 Ca 0.03 -1.39 0.07 0.00 -0.15 0.00 0.00 55.06 53.61 1amu s HIS 463 Cb -0.12 -0.75 -0.01 0.00 1.11 0.00 0.00 32.58 32.80 1amu s HIS 463 CO 0.02 -0.58 -0.25 -1.59 -0.85 0.00 0.00 174.74 171.48 1amu s LYS 464 N -3.89 2.37 0.94 1.40 -2.85 -1.26 -0.27 119.74 116.18 1amu s LYS 464 Ca 0.38 -0.91 -0.15 0.00 -1.00 0.00 0.00 55.97 54.28 1amu s LYS 464 Cb 0.06 -2.12 0.22 0.00 -2.06 0.00 0.00 37.83 33.92 1amu s LYS 464 CO 0.17 0.46 1.28 -0.40 0.10 0.00 0.00 175.35 176.96 1amu n ASP 465 N 2.73 0.17 0.05 0.03 5.68 0.46 -4.83 116.55 120.85 1amu n ASP 465 Ca -0.17 -1.51 0.21 0.00 -0.50 0.00 0.00 54.79 52.83 1amu n ASP 465 Cb 0.52 -0.98 0.74 0.00 -1.14 0.00 0.00 41.12 40.26 1amu n ASP 465 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 1amu h HIS 466 N -1.69 0.00 -0.60 2.11 3.86 -1.90 0.50 115.15 117.42 1amu h HIS 466 Ca -0.42 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 58.61 1amu h HIS 466 Cb 1.16 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 29.52 1amu h HIS 466 CO 0.00 0.00 0.23 1.04 0.86 0.00 0.00 177.93 180.06 1amu n GLN 467 N -3.88 3.17 -1.34 2.45 3.00 -1.26 -4.91 117.38 114.60 1amu n GLN 467 Ca 0.09 -2.44 -0.13 0.00 -0.01 0.00 0.00 57.00 54.51 1amu n GLN 467 Cb 0.64 -2.03 -0.05 0.00 0.00 0.00 0.00 30.24 28.79 1amu n GLN 467 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1amu n GLU 468 N -0.08 -1.63 -3.37 -1.09 -0.58 0.17 -4.97 120.64 109.09 1amu n GLU 468 Ca 0.33 0.91 -0.38 0.00 -0.42 0.00 0.00 57.16 57.60 1amu n GLU 468 Cb 1.19 -5.27 -0.06 0.00 -0.57 0.00 0.00 31.44 26.73 1amu n GLU 468 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1amu s GLN 469 N -3.02 4.07 0.50 3.49 -1.52 -1.25 -4.73 119.66 117.19 1amu s GLN 469 Ca 0.00 0.59 -0.20 0.00 -1.95 0.00 0.00 55.36 53.80 1amu s GLN 469 Cb 0.00 -3.20 -0.08 0.00 -0.22 0.00 0.00 33.01 29.51 1amu s GLN 469 CO 0.00 0.65 1.06 -1.25 -0.25 0.00 0.00 175.29 175.50 1amu s PRO 470 N -1.17 3.71 0.06 2.91 0.04 -1.26 -0.40 135.00 138.89 1amu s PRO 470 Ca 0.28 1.42 -0.17 0.00 0.04 0.00 0.00 61.00 62.57 1amu s PRO 470 Cb -0.18 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.31 1amu s PRO 470 CO 0.17 -0.51 0.40 1.52 0.04 0.00 0.00 177.00 178.61 1amu s TYR 471 N -1.93 -0.23 -0.10 0.56 1.13 0.63 -4.89 117.35 112.52 1amu s TYR 471 Ca 0.68 0.11 -0.11 0.00 -1.41 0.00 0.00 57.07 56.34 1amu s TYR 471 Cb -0.18 0.21 -0.05 0.00 -1.10 0.00 0.00 41.96 40.84 1amu s TYR 471 CO 0.22 -0.59 0.26 -0.51 -2.51 0.00 0.00 175.55 172.41 1amu s LEU 472 N -2.20 4.36 -0.12 -3.49 1.43 -1.26 -1.58 118.68 115.83 1amu s LEU 472 Ca -0.03 0.60 0.03 0.00 -1.03 0.00 0.00 54.13 53.71 1amu s LEU 472 Cb -0.00 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.92 1amu s LEU 472 CO -0.05 0.29 -0.23 0.00 0.23 0.00 0.00 176.35 176.59 1amu s ALA 474 N 0.54 3.13 -0.03 0.00 0.00 0.17 -0.87 121.76 124.70 1amu s ALA 474 Ca -0.14 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.06 1amu s ALA 474 Cb -0.17 -1.63 -0.03 0.00 0.00 0.00 0.00 23.12 21.29 1amu s ALA 474 CO 0.04 0.25 -0.14 0.71 0.00 0.00 0.00 175.76 176.63 1amu s TYR 475 N 0.21 2.71 0.12 0.00 1.51 0.14 -0.10 117.35 121.95 1amu s TYR 475 Ca -0.00 -0.15 -0.11 0.00 -1.01 0.00 0.00 57.07 55.79 1amu s TYR 475 Cb -0.13 -1.61 0.01 0.00 -0.11 0.00 0.00 41.96 40.12 1amu s TYR 475 CO 0.02 0.22 0.29 -0.59 -1.11 0.00 0.00 175.55 174.38 1amu s PHE 476 N -0.79 0.08 -0.04 2.71 -0.71 -0.53 -0.63 117.98 118.07 1amu s PHE 476 Ca 0.12 -0.46 0.06 0.00 -1.04 0.00 0.00 56.93 55.62 1amu s PHE 476 Cb -0.11 0.06 -0.01 0.00 -1.21 0.00 0.00 43.02 41.75 1amu s PHE 476 CO 0.02 -0.64 -0.21 0.08 -1.34 0.00 0.00 175.22 173.12 1amu s VAL 477 N -3.86 1.73 -0.10 -2.49 1.01 -0.57 -0.95 120.40 115.16 1amu s VAL 477 Ca 0.07 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 60.95 1amu s VAL 477 Cb 0.03 -1.46 0.04 0.00 0.00 0.00 0.00 36.38 35.00 1amu s VAL 477 CO -0.09 0.49 0.46 -0.55 0.00 0.00 0.00 175.10 175.41 1amu s SER 478 N -0.25 -0.43 0.45 3.32 0.15 -1.26 -0.82 113.70 114.86 1amu s SER 478 Ca 0.01 0.63 0.25 0.00 0.70 0.00 0.00 55.95 57.54 1amu s SER 478 Cb -0.11 0.68 0.99 0.00 -1.71 0.00 0.00 66.02 65.87 1amu s SER 478 CO 0.01 -0.34 1.86 -0.33 1.20 0.00 0.00 173.24 175.64 1amu h GLU 479 N 4.45 0.00 -5.99 5.44 3.07 -2.00 -3.44 114.58 116.12 1amu h GLU 479 Ca -0.28 0.00 -0.58 0.00 -0.50 0.00 0.00 59.36 58.00 1amu h GLU 479 Cb 1.17 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.05 1amu h GLU 479 CO 0.30 0.21 -0.47 0.15 -1.40 0.00 0.00 179.01 177.80 1amu s LYS 480 N -3.71 3.45 -0.43 2.33 1.02 -1.26 -5.06 119.74 116.07 1amu s LYS 480 Ca 0.00 -0.50 -0.26 0.00 0.02 0.00 0.00 55.97 55.23 1amu s LYS 480 Cb 0.10 -2.99 0.02 0.00 -0.52 0.00 0.00 37.83 34.44 1amu s LYS 480 CO 0.63 0.56 0.95 -1.58 -0.92 0.00 0.00 175.35 174.98 1amu s HIS 481 N -1.64 2.96 -0.12 3.18 5.65 -1.26 -5.01 115.29 119.05 1amu s HIS 481 Ca 0.35 0.53 -0.23 0.00 0.25 0.00 0.00 55.06 55.96 1amu s HIS 481 Cb -0.12 -3.92 -0.03 0.00 -1.18 0.00 0.00 32.58 27.33 1amu s HIS 481 CO 0.28 -1.03 0.70 0.42 -0.65 0.00 0.00 174.74 174.46 1amu s ILE 482 N 3.74 5.01 0.07 0.89 1.01 -1.26 -5.03 121.20 125.64 1amu s ILE 482 Ca 0.38 1.41 -0.31 0.00 0.00 0.00 0.00 60.65 62.13 1amu s ILE 482 Cb -0.10 -4.03 -0.08 0.00 0.01 0.00 0.00 42.46 38.26 1amu s ILE 482 CO 0.25 0.18 1.52 -2.16 0.00 0.00 0.00 174.94 174.72 1amu s PRO 483 N 1.31 4.25 0.49 2.79 0.04 -1.26 -4.90 135.00 137.72 1amu s PRO 483 Ca 0.35 2.18 0.28 0.00 0.04 0.00 0.00 61.00 63.86 1amu s PRO 483 Cb -0.17 -3.46 1.36 0.00 0.04 0.00 0.00 34.50 32.27 1amu s PRO 483 CO 0.15 -0.61 1.82 -0.07 0.04 0.00 0.00 177.00 178.33 1amu h LEU 484 N 7.89 0.17 -0.53 -3.56 3.38 -1.99 0.17 115.31 120.84 1amu h LEU 484 Ca -0.41 0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.61 1amu h LEU 484 Cb 1.20 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.91 1amu h LEU 484 CO 0.91 0.04 0.33 -0.33 0.09 0.00 0.00 178.44 179.47 1amu h GLU 485 N 0.16 0.63 -0.16 1.13 3.07 -2.00 -0.40 114.58 117.00 1amu h GLU 485 Ca 0.53 -0.04 -0.11 0.00 -0.50 0.00 0.00 59.36 59.24 1amu h GLU 485 Cb 1.79 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 29.55 1amu h GLU 485 CO -0.11 0.42 -0.37 0.37 -1.40 0.00 0.00 179.01 177.92 1amu h GLN 486 N 0.65 0.35 -0.64 2.33 4.15 -1.05 -0.85 115.11 120.04 1amu h GLN 486 Ca 0.21 -0.16 -0.08 0.00 0.77 0.00 0.00 58.65 59.39 1amu h GLN 486 Cb 0.00 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 1amu h GLN 486 CO -0.09 0.67 0.09 -0.07 -1.93 0.00 0.00 178.83 177.51 1amu h LEU 487 N 0.30 1.02 -0.36 -2.39 3.38 -1.06 0.27 115.31 116.47 1amu h LEU 487 Ca 0.03 -0.25 -0.13 0.00 0.09 0.00 0.00 57.88 57.63 1amu h LEU 487 Cb 0.79 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1amu h LEU 487 CO 0.06 1.02 -0.28 0.03 0.09 0.00 0.00 178.44 179.37 1amu h ARG 488 N 1.00 0.83 0.30 1.13 3.08 -0.79 -1.84 114.38 118.09 1amu h ARG 488 Ca 0.20 -0.41 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 1amu h ARG 488 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1amu h ARG 488 CO 0.01 1.04 -0.14 0.37 -1.07 0.00 0.00 179.97 180.18 1amu h GLN 489 N 0.62 -0.39 -0.69 0.04 4.15 -0.93 0.04 115.11 117.95 1amu h GLN 489 Ca 0.07 0.03 0.09 0.00 0.77 0.00 0.00 58.65 59.61 1amu h GLN 489 Cb 0.85 0.09 -0.07 0.00 0.21 0.00 0.00 27.48 28.56 1amu h GLN 489 CO 0.07 -0.17 0.33 0.35 -1.93 0.00 0.00 178.83 177.48 1amu h PHE 490 N -0.53 0.59 -0.62 3.99 3.57 -0.52 -1.34 116.94 122.08 1amu h PHE 490 Ca -0.04 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 1amu h PHE 490 Cb 0.40 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 1amu h PHE 490 CO -0.02 0.20 0.13 0.77 -2.23 0.00 0.00 178.31 177.16 1amu h SER 491 N 0.57 0.93 -0.40 0.41 0.02 -1.19 -1.37 113.55 112.51 1amu h SER 491 Ca 0.34 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1amu h SER 491 Cb 0.38 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1amu h SER 491 CO -0.28 0.91 0.20 -1.28 -1.14 0.00 0.00 176.83 175.24 1amu h SER 492 N 0.93 0.55 0.76 3.07 0.87 0.11 0.14 113.55 119.98 1amu h SER 492 Ca 0.20 -0.05 -0.24 0.00 -1.23 0.00 0.00 61.79 60.46 1amu h SER 492 Cb 0.36 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.15 1amu h SER 492 CO 0.00 0.48 -1.34 -0.33 -0.53 0.00 0.00 176.83 175.11 1amu h GLU 493 N 0.61 0.00 0.00 2.24 5.08 -1.01 -3.38 114.58 118.12 1amu h GLU 493 Ca 0.15 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.36 1amu h GLU 493 Cb 0.09 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1amu h GLU 493 CO -0.02 0.70 -2.15 0.39 -1.00 0.00 0.00 179.01 176.93 1amu n GLU 494 N -3.17 0.67 -4.60 2.33 -0.58 -0.55 -5.00 120.64 109.74 1amu n GLU 494 Ca -0.08 -0.12 -0.27 0.00 -0.42 0.00 0.00 57.16 56.27 1amu n GLU 494 Cb 0.98 -1.52 -0.14 0.00 -0.57 0.00 0.00 31.44 30.19 1amu n GLU 494 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1amu s LEU 495 N -4.93 2.21 0.64 -4.62 1.43 0.46 -5.07 118.68 108.81 1amu s LEU 495 Ca -0.09 -0.60 -0.17 0.00 -1.03 0.00 0.00 54.13 52.24 1amu s LEU 495 Cb 0.11 -1.06 -0.01 0.00 0.03 0.00 0.00 46.19 45.25 1amu s LEU 495 CO 0.88 0.17 1.19 -2.84 0.23 0.00 0.00 176.35 175.97 1amu s PRO 496 N -1.45 2.73 0.33 1.29 0.02 -1.26 -4.64 135.00 132.02 1amu s PRO 496 Ca 0.09 1.74 0.09 0.00 0.02 0.00 0.00 61.00 62.95 1amu s PRO 496 Cb -0.09 -1.91 0.85 0.00 0.02 0.00 0.00 34.50 33.37 1amu s PRO 496 CO 0.03 -1.38 1.77 1.15 -0.33 0.00 0.00 177.00 178.25 1amu h THR 497 N 0.45 0.65 0.00 0.99 2.02 -1.92 0.11 112.91 115.21 1amu h THR 497 Ca -0.49 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.47 1amu h THR 497 Cb 1.29 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1amu h THR 497 CO 0.53 0.12 0.00 0.00 0.37 0.00 0.00 175.52 176.54 1amu n TYR 498 N -4.75 0.00 0.82 3.16 4.11 -1.26 -2.40 117.16 116.84 1amu n TYR 498 Ca 0.24 0.00 0.09 0.00 -0.00 0.00 0.00 57.90 58.23 1amu n TYR 498 Cb 0.66 -0.40 0.03 0.00 -0.00 0.00 0.00 39.34 39.63 1amu n TYR 498 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.86 175.53 1amu n MET 499 N -1.40 1.58 -2.35 -3.48 2.81 0.39 -4.91 117.12 109.76 1amu n MET 499 Ca 0.07 -1.15 -0.43 0.00 -1.81 0.00 0.00 57.70 54.39 1amu n MET 499 Cb 0.19 -1.36 -0.02 0.00 -0.71 0.00 0.00 33.22 31.32 1amu n MET 499 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1amu s ILE 500 N -1.96 4.13 0.31 2.02 1.01 -1.01 -4.93 121.20 120.77 1amu s ILE 500 Ca 0.18 1.39 -0.30 0.00 0.00 0.00 0.00 60.65 61.92 1amu s ILE 500 Cb 0.15 -3.90 -0.11 0.00 0.01 0.00 0.00 42.46 38.61 1amu s ILE 500 CO 0.39 -0.10 1.58 -2.65 0.00 0.00 0.00 174.94 174.17 1amu n PRO 501 N 6.42 2.72 0.15 2.79 -0.02 -1.26 -4.81 135.00 140.99 1amu n PRO 501 Ca 0.14 0.97 0.01 0.00 -2.02 0.00 0.00 63.50 62.60 1amu n PRO 501 Cb 0.45 -2.74 0.20 0.00 -0.02 0.00 0.00 33.50 31.38 1amu n PRO 501 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1amu h SER 502 N 4.47 0.00 -3.62 2.55 0.02 -1.36 -3.44 113.55 112.17 1amu h SER 502 Ca -0.48 0.00 -0.38 0.00 -0.84 0.00 0.00 61.79 60.09 1amu h SER 502 Cb 1.23 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 63.44 1amu h SER 502 CO 0.77 0.55 -0.77 -0.31 -1.14 0.00 0.00 176.83 175.93 1amu s TYR 503 N -3.48 0.63 -0.10 3.45 2.02 -1.15 -5.06 117.35 113.65 1amu s TYR 503 Ca -0.00 -0.14 -0.00 0.00 -0.37 0.00 0.00 57.07 56.55 1amu s TYR 503 Cb 0.11 -0.53 -0.03 0.00 -0.40 0.00 0.00 41.96 41.12 1amu s TYR 503 CO 0.74 -0.12 -0.08 -0.06 -1.57 0.00 0.00 175.55 174.45 1amu s PHE 504 N 0.57 2.91 -0.11 2.71 0.08 -1.26 -0.65 117.98 122.23 1amu s PHE 504 Ca -0.07 -0.23 -0.01 0.00 0.12 0.00 0.00 56.93 56.73 1amu s PHE 504 Cb -0.11 -1.80 0.03 0.00 -0.57 0.00 0.00 43.02 40.58 1amu s PHE 504 CO -0.00 0.09 -0.01 0.42 -0.10 0.00 0.00 175.22 175.63 1amu s ILE 505 N -0.22 0.53 -0.13 0.64 1.01 0.86 -4.96 121.20 118.94 1amu s ILE 505 Ca 0.02 -0.10 -0.23 0.00 0.00 0.00 0.00 60.65 60.34 1amu s ILE 505 Cb -0.13 -0.73 -0.03 0.00 0.01 0.00 0.00 42.46 41.58 1amu s ILE 505 CO 0.03 0.18 0.71 -1.58 0.00 0.00 0.00 174.94 174.28 1amu s GLN 506 N 1.90 4.34 0.06 2.79 0.74 -1.26 -1.45 119.66 126.78 1amu s GLN 506 Ca 0.04 0.84 0.06 0.00 0.05 0.00 0.00 55.36 56.35 1amu s GLN 506 Cb -0.13 -3.51 -0.04 0.00 1.10 0.00 0.00 33.01 30.43 1amu s GLN 506 CO -0.06 -0.11 -0.12 -0.51 -0.55 0.00 0.00 175.29 173.94 1amu s LEU 507 N 1.42 2.93 0.28 3.68 1.43 -0.13 -4.93 118.68 123.36 1amu s LEU 507 Ca 0.35 -0.35 0.06 0.00 -1.03 0.00 0.00 54.13 53.17 1amu s LEU 507 Cb -0.17 -1.72 0.39 0.00 0.03 0.00 0.00 46.19 44.72 1amu s LEU 507 CO 0.15 0.23 1.65 0.44 0.23 0.00 0.00 176.35 179.05 1amu h ASP 508 N 4.11 0.24 -4.60 2.29 3.32 -1.97 -3.39 116.42 116.43 1amu h ASP 508 Ca -0.48 -0.11 -0.12 0.00 0.02 0.00 0.00 57.03 56.33 1amu h ASP 508 Cb 1.16 -0.07 -0.22 0.00 0.22 0.00 0.00 39.33 40.43 1amu h ASP 508 CO 0.51 0.69 -0.26 -1.59 -1.72 0.00 0.00 179.24 176.87 1amu s LYS 509 N -4.00 0.60 0.08 3.56 -2.85 -1.26 -4.93 119.74 110.94 1amu s LYS 509 Ca -0.04 0.07 -0.30 0.00 -1.00 0.00 0.00 55.97 54.70 1amu s LYS 509 Cb 0.13 0.27 -0.05 0.00 -2.06 0.00 0.00 37.83 36.12 1amu s LYS 509 CO 0.78 -0.14 1.12 -1.64 0.10 0.00 0.00 175.35 175.56 1amu s MET 510 N -0.79 4.51 -0.05 1.78 -1.94 -1.26 -5.00 119.30 116.55 1amu s MET 510 Ca -0.09 1.67 -0.30 0.00 -1.71 0.00 0.00 55.69 55.26 1amu s MET 510 Cb -0.04 -3.36 -0.04 0.00 2.01 0.00 0.00 34.83 33.40 1amu s MET 510 CO 0.03 -0.12 1.27 -1.25 -0.01 0.00 0.00 175.02 174.95 1amu s PRO 511 N 0.68 4.32 0.10 2.03 0.04 -1.26 -5.00 135.00 135.92 1amu s PRO 511 Ca 0.55 1.77 0.10 0.00 0.04 0.00 0.00 61.00 63.45 1amu s PRO 511 Cb -0.27 -3.58 -0.04 0.00 0.04 0.00 0.00 34.50 30.65 1amu s PRO 511 CO 0.30 -0.51 -0.25 -0.51 0.04 0.00 0.00 177.00 176.07 1amu s LEU 512 N 2.39 2.36 0.90 -3.56 1.43 -1.26 -0.22 118.68 120.72 1amu s LEU 512 Ca 0.58 -0.67 -0.11 0.00 -1.03 0.00 0.00 54.13 52.91 1amu s LEU 512 Cb -0.27 -1.30 0.19 0.00 0.03 0.00 0.00 46.19 44.85 1amu s LEU 512 CO 0.23 0.20 1.23 0.42 0.23 0.00 0.00 176.35 178.66 1amu s THR 513 N -1.01 2.01 0.58 5.49 -4.23 0.57 -4.74 115.64 114.31 1amu s THR 513 Ca 0.14 -0.22 0.36 0.00 -1.18 0.00 0.00 61.69 60.79 1amu s THR 513 Cb -0.10 -2.80 0.39 0.00 1.34 0.00 0.00 72.50 71.33 1amu s THR 513 CO 0.06 0.00 2.27 0.77 -0.54 0.00 0.00 174.62 177.18 1amu h SER 514 N -1.33 0.00 -0.10 3.99 4.64 -2.01 -1.17 113.55 117.57 1amu h SER 514 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1amu h SER 514 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1amu h SER 514 CO 0.35 0.02 0.00 0.59 -0.87 0.00 0.00 176.83 176.91 1amu n ASN 515 N -3.46 2.03 0.00 4.97 3.02 -1.26 -4.74 115.26 115.82 1amu n ASN 515 Ca -0.03 -1.70 0.00 0.00 -0.03 0.00 0.00 54.58 52.82 1amu n ASN 515 Cb 0.11 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 1amu n ASN 515 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1amu n GLY 516 N 1.23 0.69 3.94 7.41 0.00 -0.44 -4.96 105.19 113.06 1amu n GLY 516 Ca 0.17 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1amu n GLY 516 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1amu s LYS 517 N -0.41 3.48 0.26 1.61 1.02 -1.26 -4.65 119.74 119.80 1amu s LYS 517 Ca 0.00 -0.48 -0.30 0.00 0.02 0.00 0.00 55.97 55.22 1amu s LYS 517 Cb 0.00 -2.81 -0.10 0.00 -0.52 0.00 0.00 37.83 34.41 1amu s LYS 517 CO 0.00 0.34 1.35 -1.50 -0.92 0.00 0.00 175.35 174.62 1amu s ILE 518 N -2.03 2.87 -0.74 2.17 2.07 -1.26 -0.31 121.20 123.98 1amu s ILE 518 Ca 0.37 0.77 -0.18 0.00 -1.41 0.00 0.00 60.65 60.21 1amu s ILE 518 Cb -0.10 -3.49 0.13 0.00 0.13 0.00 0.00 42.46 39.13 1amu s ILE 518 CO 0.31 0.14 0.84 -0.62 -1.91 0.00 0.00 174.94 173.71 1amu s ASP 519 N 0.06 6.42 0.52 4.50 2.15 0.69 -4.73 116.67 126.29 1amu s ASP 519 Ca 0.55 -1.84 0.21 0.00 0.43 0.00 0.00 52.55 51.90 1amu s ASP 519 Cb -0.39 -2.31 1.33 0.00 -0.30 0.00 0.00 42.92 41.24 1amu s ASP 519 CO 0.45 -1.00 2.06 0.03 -0.17 0.00 0.00 175.17 176.53 1amu h ARG 520 N 8.82 0.02 -0.00 4.34 3.08 -1.92 -1.47 114.38 127.23 1amu h ARG 520 Ca -0.09 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1amu h ARG 520 Cb 1.06 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 1amu h ARG 520 CO 1.03 0.01 0.00 0.36 -1.07 0.00 0.00 179.97 180.30 1amu n LYS 521 N -4.45 1.01 -0.06 0.04 2.85 -1.26 -2.35 118.16 113.95 1amu n LYS 521 Ca 0.04 -0.02 0.04 0.00 -1.05 0.00 0.00 58.31 57.33 1amu n LYS 521 Cb 0.38 -1.13 0.07 0.00 -0.65 0.00 0.00 35.03 33.70 1amu n LYS 521 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1amu n GLN 522 N -0.61 1.29 -2.93 -1.58 6.02 -0.55 -4.92 117.38 114.09 1amu n GLN 522 Ca 0.06 -1.38 -0.43 0.00 -0.01 0.00 0.00 57.00 55.25 1amu n GLN 522 Cb 0.03 -1.18 -0.05 0.00 1.02 0.00 0.00 30.24 30.06 1amu n GLN 522 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1amu s LEU 523 N -0.83 4.15 0.04 1.08 1.43 -0.99 -4.89 118.68 118.66 1amu s LEU 523 Ca 0.13 0.18 -0.33 0.00 -1.03 0.00 0.00 54.13 53.08 1amu s LEU 523 Cb 0.08 -3.04 -0.12 0.00 0.03 0.00 0.00 46.19 43.14 1amu s LEU 523 CO 0.11 -0.84 1.80 -0.81 0.23 0.00 0.00 176.35 176.84 1amu n PRO 524 N 6.64 2.39 -2.64 1.29 -0.04 -1.26 -4.96 135.00 136.41 1amu n PRO 524 Ca 0.03 0.87 -0.42 0.00 -0.04 0.00 0.00 63.50 63.95 1amu n PRO 524 Cb 0.48 -2.72 -0.03 0.00 -0.04 0.00 0.00 33.50 31.19 1amu n PRO 524 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1amu s GLU 525 N 2.94 4.56 0.44 0.54 2.12 -1.26 -5.01 118.70 123.03 1amu s GLU 525 Ca 0.86 1.52 -0.26 0.00 0.36 0.00 0.00 54.97 57.45 1amu s GLU 525 Cb -0.61 -3.41 -0.09 0.00 0.26 0.00 0.00 34.13 30.28 1amu s GLU 525 CO 0.44 -0.04 1.40 -0.35 -0.54 0.00 0.00 175.26 176.17 1amu n PRO 526 N 3.61 2.21 -2.77 4.30 -0.04 -1.26 -4.93 135.00 136.12 1amu n PRO 526 Ca 0.06 0.79 -0.42 0.00 -0.04 0.00 0.00 63.50 63.88 1amu n PRO 526 Cb 0.49 -2.58 -0.04 0.00 -0.04 0.00 0.00 33.50 31.34 1amu n PRO 526 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1amu s ASP 527 N -0.46 6.20 -0.67 3.54 2.15 -1.26 -4.91 116.67 121.26 1amu s ASP 527 Ca 0.60 -0.90 -0.04 0.00 0.43 0.00 0.00 52.55 52.64 1amu s ASP 527 Cb -0.47 -2.46 0.09 0.00 -0.30 0.00 0.00 42.92 39.79 1amu s ASP 527 CO 0.58 -1.54 2.64 0.18 -0.17 0.00 0.00 175.17 176.86 1amu n LEU 528 N 8.14 6.88 -0.07 -1.34 4.77 -1.26 -4.56 117.00 129.56 1amu n LEU 528 Ca 0.00 -4.31 -0.09 0.00 -0.03 0.00 0.00 56.01 51.58 1amu n LEU 528 Cb 0.47 -1.25 -0.07 0.00 -2.33 0.00 0.00 43.42 40.24 1amu n LEU 528 CO 0.65 1.81 -0.01 0.00 -1.33 0.00 0.00 177.39 178.52 1amu h THR 529 N 2.13 0.79 0.00 -5.08 1.03 -2.03 -3.47 112.91 106.29 1amu h THR 529 Ca 0.47 -1.68 0.00 0.00 -0.01 0.00 0.00 66.41 65.19 1amu h THR 529 Cb 0.59 1.58 0.00 0.00 -1.07 0.00 0.00 68.15 69.25 1amu h THR 529 CO 1.04 0.27 0.00 2.22 -0.01 0.00 0.00 175.52 179.04