#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1th3 n ARG 4 N 0.00 0.00 -2.71 1.20 1.74 -1.26 -4.80 116.66 110.83 1th3 n ARG 4 Ca 0.00 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.85 1th3 n ARG 4 Cb 0.00 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.47 1th3 n ARG 4 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1th3 s ASP 5 N 0.00 5.56 0.27 0.55 -4.77 -1.26 -4.95 116.67 112.07 1th3 s ASP 5 Ca 0.00 0.31 -0.00 0.00 -3.30 0.00 0.00 52.55 49.55 1th3 s ASP 5 Cb 0.00 -1.36 0.55 0.00 -1.09 0.00 0.00 42.92 41.02 1th3 s ASP 5 CO 0.00 -0.96 1.76 1.55 0.70 0.00 0.00 175.17 178.22 1th3 h PRO 6 N 0.12 0.61 0.75 2.11 0.13 -1.94 -2.21 132.00 131.57 1th3 h PRO 6 Ca -0.45 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 1th3 h PRO 6 Cb 1.27 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 1th3 h PRO 6 CO 0.57 0.40 -0.47 0.00 -0.23 0.00 0.00 178.00 178.27 1th3 h ALA 7 N 1.57 -1.26 -0.64 -0.56 0.00 -1.94 -2.66 119.26 113.78 1th3 h ALA 7 Ca 0.47 -0.24 0.18 0.00 0.00 0.00 0.00 54.91 55.33 1th3 h ALA 7 Cb 0.68 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1th3 h ALA 7 CO -0.37 -1.22 0.49 0.77 0.00 0.00 0.00 179.25 178.92 1th3 h SER 8 N -1.15 0.00 -0.21 0.00 0.02 -1.85 0.16 113.55 110.52 1th3 h SER 8 Ca -0.10 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1th3 h SER 8 Cb 0.92 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.46 1th3 h SER 8 CO 0.10 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.26 1th3 n ASP 9 N -4.21 2.71 -0.07 3.07 8.00 -0.87 -4.54 116.55 120.64 1th3 n ASP 9 Ca 0.12 -2.34 -0.14 0.00 0.71 0.00 0.00 54.79 53.14 1th3 n ASP 9 Cb 0.73 -0.57 -0.09 0.00 -0.02 0.00 0.00 41.12 41.17 1th3 n ASP 9 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 1th3 h GLN 10 N 1.42 -0.47 -0.38 -1.24 -0.00 -0.63 0.74 115.11 114.54 1th3 h GLN 10 Ca 0.00 0.03 -0.10 0.00 -0.00 0.00 0.00 58.65 58.58 1th3 h GLN 10 Cb 1.04 0.11 -0.01 0.00 0.00 0.00 0.00 27.48 28.62 1th3 h GLN 10 CO 0.18 -0.31 -0.17 0.52 0.00 0.00 0.00 178.83 179.05 1th3 h MET 11 N -0.49 0.79 -0.85 1.69 2.86 -1.85 -2.83 114.93 114.25 1th3 h MET 11 Ca 0.06 -0.34 0.08 0.00 -2.06 0.00 0.00 59.70 57.44 1th3 h MET 11 Cb 0.64 -0.03 -0.11 0.00 0.06 0.00 0.00 31.60 32.17 1th3 h MET 11 CO -0.51 0.96 -0.54 -0.22 1.06 0.00 0.00 176.91 177.66 1th3 h LYS 12 N 0.59 -0.04 0.00 1.72 1.63 -1.64 0.52 116.57 119.35 1th3 h LYS 12 Ca 0.09 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.86 1th3 h LYS 12 Cb 0.72 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.35 1th3 h LYS 12 CO 0.05 -0.03 -0.16 0.45 -3.45 0.00 0.00 179.45 176.31 1th3 h HIS 13 N -0.05 0.00 0.34 1.91 3.86 -0.90 -2.52 115.15 117.79 1th3 h HIS 13 Ca 0.14 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.33 1th3 h HIS 13 Cb 0.40 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.87 1th3 h HIS 13 CO -0.98 0.16 -0.16 2.35 0.86 0.00 0.00 177.93 180.16 1th3 h TRP 14 N 0.00 -0.42 -0.92 2.45 7.01 0.14 -1.54 115.95 122.68 1th3 h TRP 14 Ca -0.00 -0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.12 1th3 h TRP 14 Cb 0.30 0.14 -0.09 0.00 -2.10 0.00 0.00 29.16 27.41 1th3 h TRP 14 CO 0.00 -0.08 0.54 -0.22 -2.79 0.00 0.00 178.44 175.88 1th3 h LYS 15 N -0.83 0.79 0.00 2.65 3.64 -0.51 -1.62 116.57 120.68 1th3 h LYS 15 Ca -0.05 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1th3 h LYS 15 Cb 0.52 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1th3 h LYS 15 CO 0.08 0.52 0.00 0.39 -2.27 0.00 0.00 179.45 178.17 1th3 n GLU 16 N -4.74 0.00 -0.51 1.90 1.02 -0.96 -2.94 120.64 114.41 1th3 n GLU 16 Ca 0.18 0.00 0.39 0.00 -0.02 0.00 0.00 57.16 57.71 1th3 n GLU 16 Cb 0.38 -0.95 0.61 0.00 -0.02 0.00 0.00 31.44 31.46 1th3 n GLU 16 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1th3 n GLN 17 N -0.48 0.00 -0.10 3.49 10.64 -0.59 0.09 117.38 130.44 1th3 n GLN 17 Ca 0.00 0.85 0.00 0.00 -1.83 0.00 0.00 57.00 56.02 1th3 n GLN 17 Cb 0.00 -1.99 0.00 0.00 -0.86 0.00 0.00 30.24 27.39 1th3 n GLN 17 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1th3 n ARG 18 N -3.41 0.54 0.00 2.61 1.74 -0.61 -4.89 116.66 112.63 1th3 n ARG 18 Ca 0.33 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 1th3 n ARG 18 Cb 1.55 -1.23 0.00 0.00 -1.02 0.00 0.00 32.46 31.76 1th3 n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1th3 n ALA 19 N 1.09 0.00 -0.75 7.54 0.00 0.11 -3.66 120.51 124.84 1th3 n ALA 19 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1th3 n ALA 19 Cb 0.27 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.74 1th3 n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1th3 n ALA 20 N 2.72 1.70 -1.77 0.00 0.00 -1.26 -4.85 120.51 117.05 1th3 n ALA 20 Ca 0.00 -1.07 -0.40 0.00 0.00 0.00 0.00 53.44 51.98 1th3 n ALA 20 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 19.45 19.32 1th3 n ALA 20 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1th3 s GLN 21 N -0.81 4.07 1.10 0.00 -0.21 -1.24 -4.96 119.66 117.61 1th3 s GLN 21 Ca 0.05 2.13 -0.16 0.00 0.02 0.00 0.00 55.36 57.39 1th3 s GLN 21 Cb 0.04 -2.82 0.13 0.00 1.00 0.00 0.00 33.01 31.36 1th3 s GLN 21 CO 0.00 -0.40 0.33 1.63 -2.12 0.00 0.00 175.29 174.74 1th3 n LYS 22 N 0.28 -1.51 -3.12 2.91 5.02 -1.26 -4.97 118.16 115.51 1th3 n LYS 22 Ca 0.03 -0.41 -0.30 0.00 -2.02 0.00 0.00 58.31 55.61 1th3 n LYS 22 Cb 0.43 -1.85 -0.03 0.00 -0.02 0.00 0.00 35.03 33.56 1th3 n LYS 22 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1th3 s PRO 23 N -3.72 3.73 0.78 1.97 0.04 -1.26 -5.04 135.00 131.49 1th3 s PRO 23 Ca 0.59 0.26 -0.14 0.00 0.04 0.00 0.00 61.00 61.76 1th3 s PRO 23 Cb -0.17 -2.52 0.06 0.00 0.04 0.00 0.00 34.50 31.92 1th3 s PRO 23 CO 0.66 0.11 1.21 -0.51 0.04 0.00 0.00 177.00 178.51 1th3 s ASP 24 N -3.06 3.82 0.08 6.66 1.01 -1.26 -4.93 116.67 119.00 1th3 s ASP 24 Ca 0.48 2.38 -0.30 0.00 0.71 0.00 0.00 52.55 55.82 1th3 s ASP 24 Cb -0.11 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.18 1th3 s ASP 24 CO 0.29 -2.51 1.04 -0.69 0.21 0.00 0.00 175.17 173.51 1th3 s VAL 25 N -2.06 4.39 0.13 -1.27 1.01 -1.26 -4.98 120.40 116.36 1th3 s VAL 25 Ca 0.74 1.85 -0.31 0.00 0.00 0.00 0.00 61.98 64.26 1th3 s VAL 25 Cb -0.29 -4.19 -0.10 0.00 0.00 0.00 0.00 36.38 31.80 1th3 s VAL 25 CO 0.48 0.22 1.65 -0.22 0.00 0.00 0.00 175.10 177.24 1th3 s LEU 26 N 0.44 4.37 0.39 3.92 2.96 -1.26 -4.98 118.68 124.52 1th3 s LEU 26 Ca 0.51 2.62 0.05 0.00 -0.22 0.00 0.00 54.13 57.09 1th3 s LEU 26 Cb -0.25 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 42.84 1th3 s LEU 26 CO 0.30 -0.89 0.17 0.42 -1.32 0.00 0.00 176.35 175.03 1th3 s THR 27 N 1.87 0.43 0.65 3.68 -4.23 -1.26 -2.47 115.64 114.32 1th3 s THR 27 Ca 0.73 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.27 1th3 s THR 27 Cb -0.43 -2.37 0.10 0.00 1.34 0.00 0.00 72.50 71.14 1th3 s THR 27 CO 0.32 0.00 0.90 0.42 -0.54 0.00 0.00 174.62 175.72 1th3 s THR 28 N -3.27 2.23 0.42 3.99 -4.23 -0.83 -4.88 115.64 109.06 1th3 s THR 28 Ca 0.27 -0.73 0.10 0.00 -1.18 0.00 0.00 61.69 60.15 1th3 s THR 28 Cb 0.02 -2.50 0.29 0.00 1.34 0.00 0.00 72.50 71.65 1th3 s THR 28 CO 0.18 0.00 2.03 1.23 -0.54 0.00 0.00 174.62 177.51 1th3 h GLY 29 N -0.23 0.58 2.00 3.99 0.00 -1.91 -0.26 103.07 107.24 1th3 h GLY 29 Ca -0.35 -0.20 -0.07 0.00 0.00 0.00 0.00 47.33 46.71 1th3 h GLY 29 CO 0.42 0.17 -0.34 -1.33 0.00 0.00 0.00 176.54 175.45 1th3 h GLY 30 N 0.50 0.00 0.00 4.60 0.00 -2.01 -3.47 103.07 102.69 1th3 h GLY 30 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1th3 h GLY 30 CO -0.05 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.10 1th3 n GLY 31 N 0.26 0.73 3.70 4.60 0.00 -0.11 -5.08 105.19 109.28 1th3 n GLY 31 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1th3 n GLY 31 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1th3 s ASN 32 N -1.67 7.08 0.52 1.61 -0.87 -1.26 -4.66 114.94 115.69 1th3 s ASN 32 Ca 0.00 1.87 -0.22 0.00 -1.57 0.00 0.00 52.86 52.94 1th3 s ASN 32 Cb 0.00 -2.57 -0.06 0.00 -0.02 0.00 0.00 41.25 38.61 1th3 s ASN 32 CO 0.00 -0.52 1.33 -2.84 -2.57 0.00 0.00 177.10 172.50 1th3 s PRO 33 N 1.73 3.31 -0.23 -0.60 0.02 -1.26 -1.97 135.00 135.99 1th3 s PRO 33 Ca 0.57 2.17 -0.11 0.00 0.02 0.00 0.00 61.00 63.65 1th3 s PRO 33 Cb -0.26 -2.33 -0.05 0.00 0.02 0.00 0.00 34.50 31.88 1th3 s PRO 33 CO 0.25 -1.04 0.18 0.08 -0.33 0.00 0.00 177.00 176.14 1th3 s VAL 34 N -1.33 5.35 0.14 3.83 1.01 -1.03 -4.91 120.40 123.46 1th3 s VAL 34 Ca 0.69 0.24 -0.01 0.00 0.00 0.00 0.00 61.98 62.90 1th3 s VAL 34 Cb -0.39 -3.52 -0.17 0.00 0.00 0.00 0.00 36.38 32.30 1th3 s VAL 34 CO 0.46 0.34 1.33 1.23 0.00 0.00 0.00 175.10 178.46 1th3 h GLY 35 N 7.49 0.32 -6.00 4.51 0.00 -1.94 -3.44 103.07 104.00 1th3 h GLY 35 Ca -0.38 -0.58 0.09 0.00 0.00 0.00 0.00 47.33 46.46 1th3 h GLY 35 CO 0.67 0.51 -0.27 -0.35 0.00 0.00 0.00 176.54 177.10 1th3 s ASP 36 N -7.00 -1.39 -0.30 0.19 3.68 -1.26 -5.04 116.67 105.55 1th3 s ASP 36 Ca -0.04 0.86 0.09 0.00 2.13 0.00 0.00 52.55 55.59 1th3 s ASP 36 Cb 0.09 2.16 0.53 0.00 -1.45 0.00 0.00 42.92 44.25 1th3 s ASP 36 CO 0.85 -0.26 1.51 2.29 0.13 0.00 0.00 175.17 179.68 1th3 n LYS 37 N 5.43 1.99 -0.01 4.34 2.85 -1.26 -4.46 118.16 127.04 1th3 n LYS 37 Ca -0.01 -3.14 0.01 0.00 -1.05 0.00 0.00 58.31 54.12 1th3 n LYS 37 Cb 0.51 -1.86 -0.04 0.00 -0.65 0.00 0.00 35.03 33.00 1th3 n LYS 37 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1th3 n LEU 38 N -1.06 0.00 -4.02 -5.58 4.77 -1.26 -4.97 117.00 104.89 1th3 n LEU 38 Ca 0.35 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 56.02 1th3 n LEU 38 Cb 1.08 0.04 -0.16 0.00 -2.33 0.00 0.00 43.42 42.06 1th3 n LEU 38 CO 0.23 0.04 -0.47 0.20 -1.33 0.00 0.00 177.39 176.06 1th3 s ASN 39 N -2.93 3.28 0.97 -1.43 0.01 -1.26 -5.12 114.94 108.46 1th3 s ASN 39 Ca -0.02 -0.81 -0.13 0.00 -0.71 0.00 0.00 52.86 51.19 1th3 s ASN 39 Cb 0.02 -1.26 0.06 0.00 0.41 0.00 0.00 41.25 40.48 1th3 s ASN 39 CO 0.19 -0.12 0.46 -1.20 -1.51 0.00 0.00 177.10 174.92 1th3 n SER 40 N 4.68 -1.85 -4.54 -1.22 7.64 -1.26 -4.90 113.62 112.17 1th3 n SER 40 Ca -0.16 0.28 -0.43 0.00 1.01 0.00 0.00 58.87 59.57 1th3 n SER 40 Cb 0.47 -1.21 -0.05 0.00 -1.01 0.00 0.00 64.21 62.42 1th3 n SER 40 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1th3 s LEU 41 N -1.84 4.16 0.27 -3.43 1.98 -1.26 -5.01 118.68 113.55 1th3 s LEU 41 Ca 0.58 -0.18 0.09 0.00 -2.89 0.00 0.00 54.13 51.73 1th3 s LEU 41 Cb -0.20 -2.95 -0.05 0.00 0.66 0.00 0.00 46.19 43.64 1th3 s LEU 41 CO 0.66 -1.08 -0.13 0.42 -1.89 0.00 0.00 176.35 174.34 1th3 s THR 42 N 3.65 2.02 -0.69 3.68 -4.23 -1.26 -2.01 115.64 116.80 1th3 s THR 42 Ca 0.31 -2.25 -0.14 0.00 -1.18 0.00 0.00 61.69 58.44 1th3 s THR 42 Cb -0.12 -2.33 0.18 0.00 1.34 0.00 0.00 72.50 71.57 1th3 s THR 42 CO 0.22 -0.39 0.63 0.54 -0.54 0.00 0.00 174.62 175.08 1th3 s VAL 43 N -2.78 5.30 0.00 2.29 0.11 -0.86 -4.92 120.40 119.54 1th3 s VAL 43 Ca 0.28 -2.10 0.00 0.00 -2.93 0.00 0.00 61.98 57.23 1th3 s VAL 43 Cb -0.00 -4.33 0.00 0.00 -1.53 0.00 0.00 36.38 30.51 1th3 s VAL 43 CO 0.12 -0.95 0.00 0.61 -3.33 0.00 0.00 175.10 171.55 1th3 n GLY 44 N 4.47 1.87 0.00 6.54 0.00 -1.26 -3.09 105.19 113.71 1th3 n GLY 44 Ca 0.02 -1.89 0.10 0.00 0.00 0.00 0.00 46.02 44.25 1th3 n GLY 44 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1th3 n PRO 45 N 1.79 0.38 -1.72 1.61 -0.05 -1.26 -3.10 135.00 132.64 1th3 n PRO 45 Ca 0.00 0.07 -0.00 0.00 -0.05 0.00 0.00 63.50 63.52 1th3 n PRO 45 Cb 0.00 -1.50 0.01 0.00 -0.05 0.00 0.00 33.50 31.96 1th3 n PRO 45 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 1th3 n ARG 46 N -1.22 0.45 -3.42 0.54 3.00 -1.26 -5.12 116.66 109.62 1th3 n ARG 46 Ca 0.11 -1.91 -0.22 0.00 -0.01 0.00 0.00 57.85 55.82 1th3 n ARG 46 Cb 0.15 -0.10 0.01 0.00 0.00 0.00 0.00 32.46 32.52 1th3 n ARG 46 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1th3 s GLY 47 N -1.96 2.05 1.02 -0.13 0.00 -1.18 -5.07 107.32 102.06 1th3 s GLY 47 Ca 0.21 -1.75 -0.13 0.00 0.00 0.00 0.00 44.72 43.05 1th3 s GLY 47 CO -0.10 -1.75 1.10 -4.14 0.00 0.00 0.00 173.10 168.21 1th3 s PRO 48 N -4.40 0.21 0.26 2.90 0.02 -1.26 -4.42 135.00 128.32 1th3 s PRO 48 Ca 0.49 0.41 -0.16 0.00 0.02 0.00 0.00 61.00 61.77 1th3 s PRO 48 Cb -0.04 -1.72 -0.08 0.00 0.02 0.00 0.00 34.50 32.67 1th3 s PRO 48 CO 0.30 -2.85 0.69 -1.17 -0.33 0.00 0.00 177.00 173.64 1th3 s LEU 49 N -6.51 4.20 -0.17 -5.54 2.96 -1.26 -2.02 118.68 110.34 1th3 s LEU 49 Ca 0.66 1.26 -0.07 0.00 -0.22 0.00 0.00 54.13 55.75 1th3 s LEU 49 Cb -0.18 -3.78 -0.04 0.00 0.50 0.00 0.00 46.19 42.70 1th3 s LEU 49 CO 0.57 -0.08 0.08 -0.76 -1.32 0.00 0.00 176.35 174.84 1th3 s LEU 50 N -2.51 3.93 0.61 -0.68 2.01 -0.85 -4.93 118.68 116.25 1th3 s LEU 50 Ca 0.48 0.16 0.34 0.00 0.01 0.00 0.00 54.13 55.11 1th3 s LEU 50 Cb -0.13 -1.98 1.97 0.00 0.01 0.00 0.00 46.19 46.05 1th3 s LEU 50 CO 0.19 0.22 2.27 -0.37 1.01 0.00 0.00 176.35 179.67 1th3 h VAL 51 N 4.67 0.38 0.00 -1.59 -1.51 -1.98 0.47 116.25 116.69 1th3 h VAL 51 Ca -0.41 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 1th3 h VAL 51 Cb 1.17 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 1th3 h VAL 51 CO 0.69 0.00 0.00 1.67 -1.23 0.00 0.00 177.57 178.70 1th3 n GLN 52 N -3.63 0.11 -2.80 5.19 7.27 -1.26 -4.01 117.38 118.25 1th3 n GLN 52 Ca -0.03 0.58 -0.43 0.00 0.07 0.00 0.00 57.00 57.19 1th3 n GLN 52 Cb 0.10 -1.83 -0.01 0.00 2.41 0.00 0.00 30.24 30.91 1th3 n GLN 52 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1th3 s ASP 53 N -3.78 6.82 0.00 1.69 -1.08 0.15 -4.68 116.67 115.79 1th3 s ASP 53 Ca -0.01 -2.39 0.28 0.00 -0.52 0.00 0.00 52.55 49.90 1th3 s ASP 53 Cb 0.05 -2.47 1.26 0.00 -1.46 0.00 0.00 42.92 40.31 1th3 s ASP 53 CO 0.17 -1.04 1.91 1.33 0.52 0.00 0.00 175.17 178.06 1th3 n VAL 54 N 5.60 0.11 -0.08 1.11 0.24 -1.26 -2.14 118.33 121.91 1th3 n VAL 54 Ca 0.36 0.03 -0.14 0.00 -2.04 0.00 0.00 64.34 62.54 1th3 n VAL 54 Cb 0.46 -0.56 -0.04 0.00 -1.47 0.00 0.00 33.84 32.23 1th3 n VAL 54 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1th3 h VAL 55 N 0.00 1.29 0.57 3.34 2.07 -1.93 -0.52 116.25 121.07 1th3 h VAL 55 Ca 0.00 -1.65 -0.03 0.00 0.82 0.00 0.00 66.70 65.84 1th3 h VAL 55 Cb 0.39 1.63 0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1th3 h VAL 55 CO 0.00 0.53 -0.28 0.15 0.02 0.00 0.00 177.57 178.00 1th3 h PHE 56 N 0.58 -0.72 -0.85 1.57 3.57 -1.85 -3.06 116.94 116.18 1th3 h PHE 56 Ca 0.02 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.69 1th3 h PHE 56 Cb 1.06 0.24 -0.11 0.00 2.79 0.00 0.00 35.95 39.93 1th3 h PHE 56 CO 0.08 -0.44 0.39 1.15 -2.23 0.00 0.00 178.31 177.25 1th3 h THR 57 N -1.20 0.59 -0.43 4.41 2.02 -1.48 0.37 112.91 117.19 1th3 h THR 57 Ca -0.08 -0.16 0.04 0.00 0.77 0.00 0.00 66.41 66.98 1th3 h THR 57 Cb 0.60 0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.04 1th3 h THR 57 CO 0.13 0.09 0.20 -0.78 0.37 0.00 0.00 175.52 175.52 1th3 h ASP 58 N 0.48 0.26 0.14 4.18 3.58 -1.13 0.69 116.42 124.63 1th3 h ASP 58 Ca 0.50 0.03 -0.24 0.00 0.42 0.00 0.00 57.03 57.74 1th3 h ASP 58 Cb 0.84 -0.01 0.03 0.00 1.72 0.00 0.00 39.33 41.90 1th3 h ASP 58 CO -0.45 0.19 -1.04 -0.08 -2.88 0.00 0.00 179.24 174.98 1th3 h GLU 59 N 0.39 0.45 -0.47 0.28 4.81 -1.22 -3.03 114.58 115.80 1th3 h GLU 59 Ca 0.19 -0.68 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 1th3 h GLU 59 Cb 0.13 0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1th3 h GLU 59 CO -0.16 1.30 0.26 1.98 -0.73 0.00 0.00 179.01 181.67 1th3 h MET 60 N -0.06 0.65 -0.37 1.92 4.05 -0.92 -0.18 114.93 120.02 1th3 h MET 60 Ca -0.17 -0.07 0.06 0.00 -0.28 0.00 0.00 59.70 59.24 1th3 h MET 60 Cb 1.78 -0.13 -0.06 0.00 -0.80 0.00 0.00 31.60 32.40 1th3 h MET 60 CO 0.20 0.50 0.01 0.00 0.23 0.00 0.00 176.91 177.85 1th3 h ALA 61 N 1.11 0.35 -0.47 0.39 0.00 -0.96 -0.17 119.26 119.51 1th3 h ALA 61 Ca 0.17 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.09 1th3 h ALA 61 Cb 0.04 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1th3 h ALA 61 CO -0.03 -0.38 -0.04 1.25 0.00 0.00 0.00 179.25 180.05 1th3 h HIS 62 N 0.12 0.87 -0.15 0.00 6.17 -1.33 -2.97 115.15 117.86 1th3 h HIS 62 Ca 0.18 -0.14 0.04 0.00 0.71 0.00 0.00 60.37 61.16 1th3 h HIS 62 Cb 0.24 -0.23 -0.04 0.00 2.52 0.00 0.00 27.41 29.90 1th3 h HIS 62 CO -0.24 0.83 -0.08 0.35 0.71 0.00 0.00 177.93 179.49 1th3 h PHE 63 N 0.75 -0.19 0.00 5.26 3.57 0.47 -1.83 116.94 124.97 1th3 h PHE 63 Ca 0.14 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1th3 h PHE 63 Cb 0.51 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.36 1th3 h PHE 63 CO 0.03 -0.13 0.00 -0.25 -2.23 0.00 0.00 178.31 175.73 1th3 n ASP 64 N -5.23 0.00 -0.15 0.41 8.00 -0.23 -2.75 116.55 116.60 1th3 n ASP 64 Ca -0.03 -0.08 0.03 0.00 0.71 0.00 0.00 54.79 55.42 1th3 n ASP 64 Cb 0.15 -0.03 0.04 0.00 -0.02 0.00 0.00 41.12 41.26 1th3 n ASP 64 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1th3 n ARG 65 N -1.03 1.07 -0.08 -1.24 1.74 -0.69 -4.84 116.66 111.59 1th3 n ARG 65 Ca 0.03 -1.44 -0.11 0.00 -0.77 0.00 0.00 57.85 55.56 1th3 n ARG 65 Cb 0.01 -0.89 -0.05 0.00 -1.02 0.00 0.00 32.46 30.52 1th3 n ARG 65 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1th3 h GLU 66 N 0.00 0.42 -6.75 5.56 5.08 -1.46 -3.44 114.58 113.99 1th3 h GLU 66 Ca 0.00 -0.14 -0.53 0.00 -1.00 0.00 0.00 59.36 57.69 1th3 h GLU 66 Cb 0.99 -0.03 0.05 0.00 0.50 0.00 0.00 28.75 30.25 1th3 h GLU 66 CO 0.00 0.61 0.73 1.03 -1.00 0.00 0.00 179.01 180.38 1th3 s ARG 67 N -4.93 4.30 0.21 2.33 3.00 -1.26 -5.04 118.95 117.54 1th3 s ARG 67 Ca -0.14 2.25 0.08 0.00 0.00 0.00 0.00 55.73 57.93 1th3 s ARG 67 Cb 0.07 -3.12 -0.05 0.00 0.00 0.00 0.00 34.95 31.86 1th3 s ARG 67 CO 0.74 -0.37 -0.15 0.96 0.00 0.00 0.00 175.30 176.49 1th3 s ILE 68 N -0.12 1.78 0.28 1.52 -4.36 -1.26 -5.09 121.20 113.94 1th3 s ILE 68 Ca 0.58 -2.21 -0.30 0.00 -0.26 0.00 0.00 60.65 58.45 1th3 s ILE 68 Cb -0.41 -2.05 -0.12 0.00 1.25 0.00 0.00 42.46 41.13 1th3 s ILE 68 CO 0.44 -0.58 1.54 -0.81 0.24 0.00 0.00 174.94 175.77 1th3 n PRO 69 N -0.37 2.50 -1.43 0.37 -0.04 -1.26 -4.97 135.00 129.81 1th3 n PRO 69 Ca -0.08 0.89 -0.29 0.00 -0.04 0.00 0.00 63.50 63.98 1th3 n PRO 69 Cb 0.60 -2.63 0.15 0.00 -0.04 0.00 0.00 33.50 31.58 1th3 n PRO 69 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1th3 s GLU 70 N -0.50 0.91 0.31 0.54 -1.05 -1.26 -4.91 118.70 112.74 1th3 s GLU 70 Ca 0.65 0.35 -0.29 0.00 -0.15 0.00 0.00 54.97 55.52 1th3 s GLU 70 Cb -0.54 -1.81 -0.11 0.00 -0.44 0.00 0.00 34.13 31.23 1th3 s GLU 70 CO 0.49 -2.37 1.48 1.03 0.95 0.00 0.00 175.26 176.84 1th3 s ARG 71 N -5.19 4.20 0.25 -4.83 0.52 -1.26 -4.87 118.95 107.77 1th3 s ARG 71 Ca 0.64 2.44 -0.03 0.00 -0.52 0.00 0.00 55.73 58.27 1th3 s ARG 71 Cb -0.16 -3.04 0.51 0.00 0.52 0.00 0.00 34.95 32.78 1th3 s ARG 71 CO 0.55 -0.48 1.73 0.28 0.02 0.00 0.00 175.30 177.39 1th3 h VAL 72 N 3.27 0.63 -3.65 3.52 2.07 -1.98 -3.38 116.25 116.74 1th3 h VAL 72 Ca -0.48 -0.16 -0.27 0.00 0.82 0.00 0.00 66.70 66.61 1th3 h VAL 72 Cb 1.23 0.14 -0.15 0.00 -1.52 0.00 0.00 31.29 30.98 1th3 h VAL 72 CO 0.73 0.08 -0.71 0.68 0.02 0.00 0.00 177.57 178.37 1th3 s VAL 73 N -5.99 0.90 -1.27 2.57 -7.23 -1.26 -4.85 120.40 103.26 1th3 s VAL 73 Ca -0.12 -1.93 -0.04 0.00 -1.81 0.00 0.00 61.98 58.07 1th3 s VAL 73 Cb 0.21 -1.69 0.00 0.00 0.56 0.00 0.00 36.38 35.47 1th3 s VAL 73 CO 0.77 -0.78 0.54 1.41 -0.31 0.00 0.00 175.10 176.73 1th3 n HIS 74 N -0.00 -1.68 -0.19 2.82 -0.00 -0.15 -4.92 115.22 111.09 1th3 n HIS 74 Ca -0.12 0.46 -0.02 0.00 -0.00 0.00 0.00 57.72 58.04 1th3 n HIS 74 Cb 0.60 -3.92 0.19 0.00 -0.00 0.00 0.00 29.99 26.86 1th3 n HIS 74 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1th3 h ALA 75 N 0.82 1.27 -2.60 -1.41 0.00 -1.69 -3.42 119.26 112.24 1th3 h ALA 75 Ca -0.44 -0.15 -0.65 0.00 0.00 0.00 0.00 54.91 53.67 1th3 h ALA 75 Cb 1.30 -0.27 -0.16 0.00 0.00 0.00 0.00 17.79 18.66 1th3 h ALA 75 CO 0.47 0.55 -0.23 0.21 0.00 0.00 0.00 179.25 180.25 1th3 s LYS 76 N -5.51 3.68 0.25 0.00 2.47 -1.25 -4.69 119.74 114.69 1th3 s LYS 76 Ca -0.11 -0.27 -0.19 0.00 -1.56 0.00 0.00 55.97 53.85 1th3 s LYS 76 Cb 0.16 -3.77 0.07 0.00 -1.46 0.00 0.00 37.83 32.83 1th3 s LYS 76 CO 0.80 -0.49 0.92 0.41 0.16 0.00 0.00 175.35 177.15 1th3 n GLY 77 N 4.87 0.76 3.23 5.54 0.00 -1.26 -1.83 105.19 116.50 1th3 n GLY 77 Ca -0.08 -1.18 -0.16 0.00 0.00 0.00 0.00 46.02 44.60 1th3 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1th3 s ALA 78 N -2.02 1.42 0.04 4.61 0.00 -0.17 -4.95 121.76 120.70 1th3 s ALA 78 Ca 0.20 -1.34 -0.00 0.00 0.00 0.00 0.00 51.96 50.81 1th3 s ALA 78 Cb -0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 1th3 s ALA 78 CO 0.08 0.01 -0.03 0.20 0.00 0.00 0.00 175.76 176.01 1th3 s GLY 79 N -2.69 0.41 0.12 0.00 0.00 -1.26 -0.12 107.32 103.78 1th3 s GLY 79 Ca 0.11 -0.98 -0.24 0.00 0.00 0.00 0.00 44.72 43.61 1th3 s GLY 79 CO 0.02 -1.07 0.61 0.00 0.00 0.00 0.00 173.10 172.66 1th3 s ALA 80 N -2.90 -1.62 0.27 3.20 0.00 -0.83 -4.25 121.76 115.63 1th3 s ALA 80 Ca -0.02 0.63 0.11 0.00 0.00 0.00 0.00 51.96 52.68 1th3 s ALA 80 Cb 0.01 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.80 1th3 s ALA 80 CO -0.06 -0.69 -0.08 -0.06 0.00 0.00 0.00 175.76 174.86 1th3 s PHE 81 N -3.28 2.53 0.00 0.00 0.40 -0.38 -1.25 117.98 116.00 1th3 s PHE 81 Ca -0.01 -0.27 0.00 0.00 -0.60 0.00 0.00 56.93 56.05 1th3 s PHE 81 Cb -0.01 -1.11 0.00 0.00 0.51 0.00 0.00 43.02 42.41 1th3 s PHE 81 CO -0.09 0.66 0.00 0.41 0.70 0.00 0.00 175.22 176.90 1th3 n GLY 82 N -0.77 0.72 3.82 4.36 0.00 -1.00 -1.39 105.19 110.93 1th3 n GLY 82 Ca -0.06 0.36 -0.04 0.00 0.00 0.00 0.00 46.02 46.28 1th3 n GLY 82 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1th3 s TYR 83 N 2.13 -0.02 0.18 1.61 -0.85 0.34 -1.40 117.35 119.35 1th3 s TYR 83 Ca 0.00 -0.38 0.09 0.00 -0.52 0.00 0.00 57.07 56.26 1th3 s TYR 83 Cb 0.00 0.69 -0.04 0.00 0.38 0.00 0.00 41.96 42.99 1th3 s TYR 83 CO 0.00 -0.98 -0.19 0.12 -1.52 0.00 0.00 175.55 172.98 1th3 s PHE 84 N -2.73 1.96 -0.14 -3.49 5.36 0.17 -0.12 117.98 118.98 1th3 s PHE 84 Ca 0.16 -0.44 -0.12 0.00 -0.96 0.00 0.00 56.93 55.57 1th3 s PHE 84 Cb -0.03 -0.96 0.04 0.00 -0.34 0.00 0.00 43.02 41.74 1th3 s PHE 84 CO 0.05 0.40 0.37 -2.00 -1.46 0.00 0.00 175.22 172.58 1th3 s GLU 85 N -2.88 0.42 0.24 10.12 2.12 -0.65 -1.24 118.70 126.83 1th3 s GLU 85 Ca 0.18 0.54 -0.29 0.00 0.36 0.00 0.00 54.97 55.76 1th3 s GLU 85 Cb -0.06 0.18 -0.09 0.00 0.26 0.00 0.00 34.13 34.42 1th3 s GLU 85 CO 0.08 -0.06 0.92 0.08 -0.54 0.00 0.00 175.26 175.74 1th3 s VAL 86 N 0.34 4.12 0.00 3.70 1.01 -1.12 -0.69 120.40 127.76 1th3 s VAL 86 Ca -0.01 2.01 0.00 0.00 0.00 0.00 0.00 61.98 63.98 1th3 s VAL 86 Cb -0.03 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.08 1th3 s VAL 86 CO -0.01 0.45 0.04 0.35 0.00 0.00 0.00 175.10 175.94 1th3 n THR 87 N 1.38 0.00 -4.09 3.92 -2.24 -0.11 -1.92 114.28 111.21 1th3 n THR 87 Ca -0.02 -0.25 -0.08 0.00 -2.27 0.00 0.00 64.05 61.42 1th3 n THR 87 Cb 0.48 1.08 -0.10 0.00 -2.10 0.00 0.00 70.33 69.69 1th3 n THR 87 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1th3 s HIS 88 N -0.43 0.63 -0.33 4.78 3.76 -1.02 -4.95 115.29 117.73 1th3 s HIS 88 Ca 0.00 -1.09 -0.05 0.00 -0.15 0.00 0.00 55.06 53.77 1th3 s HIS 88 Cb 0.00 -0.39 0.04 0.00 1.11 0.00 0.00 32.58 33.35 1th3 s HIS 88 CO 0.00 -0.47 0.08 0.34 -0.85 0.00 0.00 174.74 173.84 1th3 s ASP 89 N -2.97 5.22 -0.09 1.40 -1.08 -1.26 -4.75 116.67 113.14 1th3 s ASP 89 Ca 0.15 -1.17 0.12 0.00 -0.52 0.00 0.00 52.55 51.13 1th3 s ASP 89 Cb 0.07 -1.83 0.29 0.00 -1.46 0.00 0.00 42.92 39.98 1th3 s ASP 89 CO -0.04 -0.31 1.20 2.30 0.52 0.00 0.00 175.17 178.84 1th3 n ILE 90 N 4.77 1.61 0.09 4.11 -5.35 -1.26 -4.66 119.36 118.67 1th3 n ILE 90 Ca -0.13 -1.62 0.20 0.00 -0.27 0.00 0.00 62.75 60.93 1th3 n ILE 90 Cb 0.44 0.07 0.75 0.00 -1.74 0.00 0.00 39.64 39.17 1th3 n ILE 90 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1th3 h THR 91 N 0.85 0.45 0.00 7.28 1.35 -1.86 2.37 112.91 123.36 1th3 h THR 91 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1th3 h THR 91 Cb 0.95 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1th3 h THR 91 CO 0.06 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.22 1th3 n ARG 92 N -3.84 0.47 -0.04 4.72 -4.01 -1.26 -3.34 116.66 109.35 1th3 n ARG 92 Ca 0.07 0.05 -0.06 0.00 -1.04 0.00 0.00 57.85 56.87 1th3 n ARG 92 Cb 0.57 -1.50 -0.03 0.00 -3.04 0.00 0.00 32.46 28.45 1th3 n ARG 92 CO 0.00 0.00 0.00 0.66 -3.04 0.00 0.00 177.63 175.25 1th3 n TYR 93 N -1.16 0.00 -3.72 2.89 4.01 0.79 -4.85 117.16 115.12 1th3 n TYR 93 Ca 0.13 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.74 1th3 n TYR 93 Cb 0.12 -0.28 -0.13 0.00 -0.31 0.00 0.00 39.34 38.74 1th3 n TYR 93 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1th3 s SER 94 N -4.93 -0.17 -0.03 7.72 0.15 -0.42 -3.16 113.70 112.86 1th3 s SER 94 Ca -0.10 0.52 0.01 0.00 0.70 0.00 0.00 55.95 57.09 1th3 s SER 94 Cb 0.03 0.44 0.08 0.00 -1.71 0.00 0.00 66.02 64.86 1th3 s SER 94 CO 0.16 -0.18 0.72 2.29 1.20 0.00 0.00 173.24 177.44 1th3 n LYS 95 N 4.38 1.36 -1.76 5.44 -0.00 0.16 -4.17 118.16 123.56 1th3 n LYS 95 Ca -0.23 -0.33 -0.40 0.00 -0.00 0.00 0.00 58.31 57.35 1th3 n LYS 95 Cb 0.52 -1.49 0.01 0.00 -0.00 0.00 0.00 35.03 34.08 1th3 n LYS 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1th3 n ALA 96 N 0.12 2.13 0.22 0.58 0.00 -1.24 -4.77 120.51 117.55 1th3 n ALA 96 Ca 0.04 0.28 0.08 0.00 0.00 0.00 0.00 53.44 53.84 1th3 n ALA 96 Cb 0.40 -2.40 0.51 0.00 0.00 0.00 0.00 19.45 17.96 1th3 n ALA 96 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1th3 h LYS 97 N 2.52 0.00 0.00 0.00 1.57 -1.92 -2.62 116.57 116.12 1th3 h LYS 97 Ca -0.51 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.21 1th3 h LYS 97 Cb 1.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 1th3 h LYS 97 CO 0.62 0.25 -0.28 -0.24 -0.57 0.00 0.00 179.45 179.23 1th3 h VAL 98 N 0.00 0.67 -0.27 0.50 3.04 -1.95 -2.54 116.25 115.70 1th3 h VAL 98 Ca -0.00 -1.29 0.00 0.00 -1.01 0.00 0.00 66.70 64.40 1th3 h VAL 98 Cb 0.60 1.85 0.00 0.00 -2.01 0.00 0.00 31.29 31.73 1th3 h VAL 98 CO 0.03 0.28 0.00 0.49 -1.01 0.00 0.00 177.57 177.36 1th3 n PHE 99 N -3.43 0.34 0.00 3.17 3.72 -0.99 -4.81 117.46 115.46 1th3 n PHE 99 Ca 0.00 -0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 1th3 n PHE 99 Cb 0.47 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 1th3 n PHE 99 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1th3 n GLU 100 N 0.78 0.00 -4.30 -1.08 4.07 -0.96 -4.73 120.64 114.42 1th3 n GLU 100 Ca 0.17 0.00 -0.18 0.00 -0.06 0.00 0.00 57.16 57.10 1th3 n GLU 100 Cb 0.43 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.72 1th3 n GLU 100 CO 0.00 0.00 0.00 -3.38 -0.06 0.00 0.00 177.13 173.69 1th3 s HIS 101 N 0.00 1.54 0.52 4.31 -3.43 -1.26 -4.90 115.29 112.08 1th3 s HIS 101 Ca 0.00 -1.43 -0.21 0.00 -0.80 0.00 0.00 55.06 52.62 1th3 s HIS 101 Cb 0.00 -0.77 -0.06 0.00 -1.43 0.00 0.00 32.58 30.32 1th3 s HIS 101 CO 0.00 -0.62 1.18 0.42 -2.00 0.00 0.00 174.74 173.73 1th3 s ILE 102 N -3.69 2.91 0.00 -5.38 -1.09 -1.26 -2.14 121.20 110.54 1th3 s ILE 102 Ca 0.37 0.62 0.00 0.00 -2.23 0.00 0.00 60.65 59.41 1th3 s ILE 102 Cb 0.05 -3.28 0.00 0.00 -1.58 0.00 0.00 42.46 37.65 1th3 s ILE 102 CO 0.18 -0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.44 1th3 n GLY 103 N 0.41 0.98 3.55 6.18 0.00 -0.81 -4.95 105.19 110.55 1th3 n GLY 103 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1th3 n GLY 103 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1th3 s LYS 104 N -0.09 2.96 0.57 1.61 2.36 -0.91 -4.77 119.74 121.47 1th3 s LYS 104 Ca 0.00 0.18 -0.07 0.00 -2.55 0.00 0.00 55.97 53.53 1th3 s LYS 104 Cb 0.00 -4.26 -0.01 0.00 -1.05 0.00 0.00 37.83 32.50 1th3 s LYS 104 CO 0.00 -2.38 0.91 1.03 1.55 0.00 0.00 175.35 176.46 1th3 s ARG 105 N 6.27 3.22 -0.23 4.03 0.52 -1.26 -2.78 118.95 128.72 1th3 s ARG 105 Ca 0.50 0.23 -0.10 0.00 -0.52 0.00 0.00 55.73 55.84 1th3 s ARG 105 Cb -0.10 -2.25 0.09 0.00 0.52 0.00 0.00 34.95 33.21 1th3 s ARG 105 CO 0.18 -0.56 0.53 0.99 0.02 0.00 0.00 175.30 176.47 1th3 s THR 106 N -2.98 -0.41 0.44 0.02 2.01 -0.37 -4.96 115.64 109.38 1th3 s THR 106 Ca 0.52 0.07 -0.24 0.00 0.31 0.00 0.00 61.69 62.35 1th3 s THR 106 Cb -0.11 -0.81 -0.08 0.00 0.01 0.00 0.00 72.50 71.52 1th3 s THR 106 CO 0.47 0.03 1.22 -2.16 -0.69 0.00 0.00 174.62 173.49 1th3 s PRO 107 N 2.14 3.84 0.36 4.92 0.04 -1.26 0.43 135.00 145.47 1th3 s PRO 107 Ca -0.07 1.94 0.04 0.00 0.04 0.00 0.00 61.00 62.95 1th3 s PRO 107 Cb -0.09 -2.57 -0.05 0.00 0.04 0.00 0.00 34.50 31.83 1th3 s PRO 107 CO -0.16 -0.53 0.08 0.96 0.04 0.00 0.00 177.00 177.39 1th3 s ILE 108 N -1.41 0.97 0.01 0.56 -4.36 -0.50 -2.51 121.20 113.97 1th3 s ILE 108 Ca 0.61 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.99 1th3 s ILE 108 Cb -0.33 -2.60 -0.01 0.00 1.25 0.00 0.00 42.46 40.77 1th3 s ILE 108 CO 0.41 0.00 0.00 0.00 0.24 0.00 0.00 174.94 175.59 1th3 s ALA 109 N -3.25 0.01 0.00 2.27 0.00 -0.95 -2.37 121.76 117.48 1th3 s ALA 109 Ca 0.30 -0.30 -0.05 0.00 0.00 0.00 0.00 51.96 51.91 1th3 s ALA 109 Cb 0.06 0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.25 1th3 s ALA 109 CO 0.14 -0.11 0.09 0.08 0.00 0.00 0.00 175.76 175.97 1th3 s VAL 110 N -0.90 0.08 -0.17 0.00 1.01 -0.38 -0.96 120.40 119.08 1th3 s VAL 110 Ca -0.10 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.15 1th3 s VAL 110 Cb -0.06 -0.37 0.07 0.00 0.00 0.00 0.00 36.38 36.03 1th3 s VAL 110 CO -0.00 -0.38 0.16 -0.60 0.00 0.00 0.00 175.10 174.28 1th3 s ARG 111 N -1.29 0.11 0.51 2.72 3.52 -0.92 -1.97 118.95 121.65 1th3 s ARG 111 Ca -0.14 0.17 -0.05 0.00 -0.13 0.00 0.00 55.73 55.57 1th3 s ARG 111 Cb -0.08 -1.26 -0.02 0.00 -1.56 0.00 0.00 34.95 32.03 1th3 s ARG 111 CO 0.01 -0.60 0.82 -0.06 -0.81 0.00 0.00 175.30 174.66 1th3 s PHE 112 N 2.25 3.47 0.00 5.12 0.08 0.83 -2.78 117.98 126.96 1th3 s PHE 112 Ca 0.05 0.77 0.00 0.00 0.12 0.00 0.00 56.93 57.87 1th3 s PHE 112 Cb -0.15 -2.43 0.00 0.00 -0.57 0.00 0.00 43.02 39.86 1th3 s PHE 112 CO -0.10 -0.44 0.00 -1.13 -0.10 0.00 0.00 175.22 173.45 1th3 n SER 113 N -2.36 0.00 0.00 1.36 3.41 -0.78 -1.00 113.62 114.25 1th3 n SER 113 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1th3 n SER 113 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1th3 n SER 113 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1th3 n THR 114 N -0.08 0.00 0.00 6.66 -2.24 -0.76 0.14 114.28 118.00 1th3 n THR 114 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1th3 n THR 114 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1th3 n THR 114 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1th3 n VAL 115 N 0.00 0.00 -0.27 2.28 0.31 -1.26 -3.93 118.33 115.45 1th3 n VAL 115 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.40 1th3 n VAL 115 Cb 0.00 -0.10 0.30 0.00 -0.91 0.00 0.00 33.84 33.12 1th3 n VAL 115 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1th3 h ALA 116 N 0.36 1.63 -2.82 3.52 0.00 -1.94 -0.37 119.26 119.64 1th3 h ALA 116 Ca 0.00 -0.01 -0.53 0.00 0.00 0.00 0.00 54.91 54.37 1th3 h ALA 116 Cb 0.00 -0.21 0.07 0.00 0.00 0.00 0.00 17.79 17.65 1th3 h ALA 116 CO 0.00 0.21 0.77 0.20 0.00 0.00 0.00 179.25 180.43 1th3 s GLY 117 N -3.51 2.50 0.00 0.00 0.00 -1.26 -4.91 107.32 100.13 1th3 s GLY 117 Ca -0.11 1.42 0.00 0.00 0.00 0.00 0.00 44.72 46.03 1th3 s GLY 117 CO 0.79 2.28 0.00 1.18 0.00 0.00 0.00 173.10 177.35 1th3 n GLU 118 N 1.70 -0.28 0.08 2.90 4.71 -1.26 -3.77 120.64 124.72 1th3 n GLU 118 Ca 0.05 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.19 1th3 n GLU 118 Cb 0.40 0.00 0.28 0.00 -1.01 0.00 0.00 31.44 31.11 1th3 n GLU 118 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 1th3 h SER 119 N -0.54 0.31 1.19 1.62 0.02 -1.96 -2.85 113.55 111.34 1th3 h SER 119 Ca 0.00 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1th3 h SER 119 Cb 0.00 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1th3 h SER 119 CO 0.00 0.56 -0.14 0.61 -1.14 0.00 0.00 176.83 176.72 1th3 n GLY 120 N -0.53 -1.58 3.36 -3.77 0.00 -1.26 -4.85 105.19 96.56 1th3 n GLY 120 Ca -0.01 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 1th3 n GLY 120 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1th3 n SER 121 N -2.00 -2.09 -4.62 1.61 3.41 -1.08 -5.04 113.62 103.81 1th3 n SER 121 Ca 0.06 -0.10 -0.30 0.00 -0.26 0.00 0.00 58.87 58.27 1th3 n SER 121 Cb 0.40 -1.09 -0.09 0.00 -0.26 0.00 0.00 64.21 63.18 1th3 n SER 121 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1th3 s ALA 122 N -2.31 3.10 0.01 7.33 0.00 -1.26 -4.84 121.76 123.78 1th3 s ALA 122 Ca 0.61 -1.22 -0.12 0.00 0.00 0.00 0.00 51.96 51.23 1th3 s ALA 122 Cb -0.17 -1.00 -0.07 0.00 0.00 0.00 0.00 23.12 21.88 1th3 s ALA 122 CO 0.66 0.65 1.02 -0.44 0.00 0.00 0.00 175.76 177.64 1th3 h ASP 123 N 3.45 -0.37 0.00 0.00 3.32 -0.66 -3.40 116.42 118.77 1th3 h ASP 123 Ca -0.48 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.58 1th3 h ASP 123 Cb 1.17 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1th3 h ASP 123 CO 0.55 -0.23 0.26 0.41 -1.72 0.00 0.00 179.24 178.51 1th3 n THR 124 N -3.33 0.00 -3.66 0.35 -1.04 -1.26 -4.79 114.28 100.54 1th3 n THR 124 Ca -0.05 -0.01 -0.13 0.00 -2.04 0.00 0.00 64.05 61.81 1th3 n THR 124 Cb 0.17 -0.37 -0.06 0.00 -1.82 0.00 0.00 70.33 68.25 1th3 n THR 124 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1th3 s VAL 125 N 2.05 0.05 -0.12 12.58 0.11 -1.26 -4.26 120.40 129.55 1th3 s VAL 125 Ca 0.01 -0.44 -0.32 0.00 -2.93 0.00 0.00 61.98 58.29 1th3 s VAL 125 Cb 0.00 -0.94 -0.09 0.00 -1.53 0.00 0.00 36.38 33.81 1th3 s VAL 125 CO 0.00 -0.24 2.03 -1.14 -3.33 0.00 0.00 175.10 172.42 1th3 n ARG 126 N 0.52 2.18 0.00 1.54 0.63 -1.26 -4.71 116.66 115.56 1th3 n ARG 126 Ca -0.19 0.74 0.00 0.00 -0.92 0.00 0.00 57.85 57.49 1th3 n ARG 126 Cb 0.60 -2.86 0.00 0.00 0.45 0.00 0.00 32.46 30.64 1th3 n ARG 126 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1th3 n ASP 127 N 8.48 0.00 -4.74 6.15 2.03 -1.03 -5.04 116.55 122.40 1th3 n ASP 127 Ca 0.26 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.26 1th3 n ASP 127 Cb 0.35 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 40.86 1th3 n ASP 127 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 1th3 s PRO 128 N -1.89 1.83 0.09 -0.67 0.02 -1.26 -4.77 135.00 128.36 1th3 s PRO 128 Ca 0.00 1.05 0.06 0.00 0.02 0.00 0.00 61.00 62.14 1th3 s PRO 128 Cb 0.00 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.62 1th3 s PRO 128 CO 0.00 -1.91 -0.08 1.03 -0.33 0.00 0.00 177.00 175.71 1th3 s ARG 129 N -4.90 2.23 -0.21 5.54 3.00 -1.26 -4.14 118.95 119.21 1th3 s ARG 129 Ca 0.62 -0.97 -0.14 0.00 0.00 0.00 0.00 55.73 55.24 1th3 s ARG 129 Cb -0.18 -2.36 -0.04 0.00 0.00 0.00 0.00 34.95 32.37 1th3 s ARG 129 CO 0.56 0.52 0.32 0.20 0.00 0.00 0.00 175.30 176.91 1th3 s GLY 130 N -2.16 2.07 -0.39 -3.53 0.00 0.38 -1.75 107.32 101.92 1th3 s GLY 130 Ca 0.22 -0.62 0.01 0.00 0.00 0.00 0.00 44.72 44.33 1th3 s GLY 130 CO 0.14 0.67 0.17 -0.12 0.00 0.00 0.00 173.10 173.97 1th3 s PHE 131 N 1.18 2.15 -0.14 1.90 2.19 0.28 -1.86 117.98 123.68 1th3 s PHE 131 Ca 0.16 -2.31 -0.03 0.00 0.33 0.00 0.00 56.93 55.08 1th3 s PHE 131 Cb -0.14 -2.00 -0.03 0.00 -1.31 0.00 0.00 43.02 39.54 1th3 s PHE 131 CO 0.07 -0.83 -0.05 0.00 1.83 0.00 0.00 175.22 176.24 1th3 s ALA 132 N 0.78 2.98 -0.10 11.12 0.00 -1.12 -1.46 121.76 133.97 1th3 s ALA 132 Ca 0.14 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.31 1th3 s ALA 132 Cb -0.22 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.43 1th3 s ALA 132 CO -0.08 0.30 -0.23 0.08 0.00 0.00 0.00 175.76 175.82 1th3 s VAL 133 N 0.10 2.00 -0.28 0.00 1.01 -0.65 -2.15 120.40 120.42 1th3 s VAL 133 Ca -0.01 -0.99 -0.06 0.00 0.00 0.00 0.00 61.98 60.92 1th3 s VAL 133 Cb -0.14 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.52 1th3 s VAL 133 CO 0.03 0.55 0.05 -0.75 0.00 0.00 0.00 175.10 174.98 1th3 s LYS 134 N 0.34 3.10 -0.54 2.72 2.20 -0.13 -1.07 119.74 126.35 1th3 s LYS 134 Ca -0.18 -0.84 -0.16 0.00 -0.36 0.00 0.00 55.97 54.43 1th3 s LYS 134 Cb -0.18 -3.29 0.13 0.00 -1.51 0.00 0.00 37.83 32.98 1th3 s LYS 134 CO 0.08 -0.41 0.49 -0.06 -0.36 0.00 0.00 175.35 175.10 1th3 s PHE 135 N 1.48 3.25 -1.18 4.03 0.40 0.32 -2.23 117.98 124.04 1th3 s PHE 135 Ca 0.03 -1.27 -0.22 0.00 -0.60 0.00 0.00 56.93 54.86 1th3 s PHE 135 Cb -0.17 -3.76 -0.08 0.00 0.51 0.00 0.00 43.02 39.52 1th3 s PHE 135 CO 0.01 -1.01 1.91 0.66 0.70 0.00 0.00 175.22 177.50 1th3 n TYR 136 N 5.25 2.89 -2.32 0.36 4.02 -1.04 0.06 117.16 126.38 1th3 n TYR 136 Ca -0.14 -1.64 -0.26 0.00 -0.01 0.00 0.00 57.90 55.85 1th3 n TYR 136 Cb 0.40 -2.57 0.14 0.00 -0.02 0.00 0.00 39.34 37.29 1th3 n TYR 136 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1th3 s THR 137 N 9.94 2.06 -0.27 -0.72 -4.23 -1.10 -4.52 115.64 116.80 1th3 s THR 137 Ca 0.66 -0.35 0.24 0.00 -1.18 0.00 0.00 61.69 61.07 1th3 s THR 137 Cb 0.01 -2.71 0.31 0.00 1.34 0.00 0.00 72.50 71.45 1th3 s THR 137 CO 0.13 0.00 1.68 -0.33 -0.54 0.00 0.00 174.62 175.56 1th3 h GLU 138 N -1.01 0.00 -0.80 3.99 3.07 -1.92 -3.07 114.58 114.85 1th3 h GLU 138 Ca -0.39 0.00 -0.40 0.00 -0.50 0.00 0.00 59.36 58.07 1th3 h GLU 138 Cb 1.25 0.00 -0.24 0.00 -0.84 0.00 0.00 28.75 28.92 1th3 h GLU 138 CO 0.39 0.07 0.42 -0.25 -1.40 0.00 0.00 179.01 178.24 1th3 n ASP 139 N -3.13 3.52 0.00 1.42 8.00 -1.26 -4.57 116.55 120.53 1th3 n ASP 139 Ca 0.03 -3.61 0.00 0.00 0.71 0.00 0.00 54.79 51.92 1th3 n ASP 139 Cb 0.50 -0.78 0.00 0.00 -0.02 0.00 0.00 41.12 40.83 1th3 n ASP 139 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1th3 n GLY 140 N -1.04 1.04 3.78 0.44 0.00 -1.16 -4.60 105.19 103.65 1th3 n GLY 140 Ca 0.51 -1.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.23 1th3 n GLY 140 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1th3 s ASN 141 N -0.57 6.69 -0.16 1.61 0.01 -1.26 -2.71 114.94 118.55 1th3 s ASN 141 Ca 0.00 2.07 0.00 0.00 -0.71 0.00 0.00 52.86 54.22 1th3 s ASN 141 Cb 0.00 -2.59 0.00 0.00 0.41 0.00 0.00 41.25 39.08 1th3 s ASN 141 CO 0.00 -0.54 -0.16 0.86 -1.51 0.00 0.00 177.10 175.76 1th3 s TRP 142 N -1.65 2.79 -0.27 2.20 -0.00 0.11 -4.31 118.94 117.81 1th3 s TRP 142 Ca 0.58 -1.16 -0.04 0.00 -0.00 0.00 0.00 56.10 55.48 1th3 s TRP 142 Cb -0.23 -1.91 0.02 0.00 -0.00 0.00 0.00 33.47 31.35 1th3 s TRP 142 CO 0.28 -0.55 0.01 -0.51 -0.00 0.00 0.00 176.95 176.18 1th3 s ASP 143 N 0.97 4.74 -0.65 5.86 1.01 -0.49 0.12 116.67 128.23 1th3 s ASP 143 Ca -0.02 -0.81 -0.08 0.00 0.71 0.00 0.00 52.55 52.34 1th3 s ASP 143 Cb -0.15 -1.77 0.17 0.00 1.01 0.00 0.00 42.92 42.18 1th3 s ASP 143 CO -0.03 -0.17 0.52 -0.22 0.21 0.00 0.00 175.17 175.48 1th3 s LEU 144 N 1.41 5.84 -0.51 1.23 1.98 -0.23 -4.47 118.68 123.92 1th3 s LEU 144 Ca 0.01 -2.56 -0.22 0.00 -2.89 0.00 0.00 54.13 48.47 1th3 s LEU 144 Cb -0.17 -2.01 0.04 0.00 0.66 0.00 0.00 46.19 44.72 1th3 s LEU 144 CO -0.01 -0.52 0.78 -0.69 -1.89 0.00 0.00 176.35 174.03 1th3 s VAL 145 N 0.38 4.63 0.11 1.68 1.01 -1.26 -1.64 120.40 125.31 1th3 s VAL 145 Ca 0.14 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.17 1th3 s VAL 145 Cb -0.19 -4.40 -0.04 0.00 0.00 0.00 0.00 36.38 31.76 1th3 s VAL 145 CO -0.04 -0.91 -0.09 -0.83 0.00 0.00 0.00 175.10 173.23 1th3 s GLY 146 N 2.62 0.85 0.60 4.51 0.00 -0.54 -4.83 107.32 110.54 1th3 s GLY 146 Ca 0.24 -1.29 0.04 0.00 0.00 0.00 0.00 44.72 43.72 1th3 s GLY 146 CO 0.17 -1.38 0.83 -1.31 0.00 0.00 0.00 173.10 171.41 1th3 s ASN 147 N -2.77 4.93 -0.01 1.64 0.02 -0.38 0.98 114.94 119.36 1th3 s ASN 147 Ca 0.09 -0.48 0.04 0.00 -1.02 0.00 0.00 52.86 51.49 1th3 s ASN 147 Cb 0.01 -0.14 0.12 0.00 0.02 0.00 0.00 41.25 41.27 1th3 s ASN 147 CO -0.01 -1.42 1.03 -0.46 0.02 0.00 0.00 177.10 176.26 1th3 n ASN 148 N -2.42 0.91 -4.00 -1.22 6.94 -0.72 -0.37 115.26 114.38 1th3 n ASN 148 Ca 0.13 -2.03 -0.09 0.00 -0.02 0.00 0.00 54.58 52.58 1th3 n ASN 148 Cb 0.61 -0.17 -0.11 0.00 -2.36 0.00 0.00 39.78 37.75 1th3 n ASN 148 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1th3 s THR 149 N -1.74 0.14 -2.06 5.53 -1.32 -1.26 -4.71 115.64 110.22 1th3 s THR 149 Ca 0.09 -1.17 0.30 0.00 -1.21 0.00 0.00 61.69 59.70 1th3 s THR 149 Cb 0.05 -0.66 0.67 0.00 -1.51 0.00 0.00 72.50 71.05 1th3 s THR 149 CO 0.06 -0.64 1.98 -0.81 -2.21 0.00 0.00 174.62 172.99 1th3 n PRO 150 N 1.12 1.12 -4.30 7.08 -0.04 -1.26 -4.47 135.00 134.24 1th3 n PRO 150 Ca -0.21 -0.36 -0.16 0.00 -0.04 0.00 0.00 63.50 62.73 1th3 n PRO 150 Cb 0.57 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 1th3 n PRO 150 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1th3 s ILE 151 N -2.13 0.55 0.23 0.52 -4.36 -1.26 -4.61 121.20 110.14 1th3 s ILE 151 Ca 0.40 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.80 1th3 s ILE 151 Cb 0.21 -2.56 -0.05 0.00 1.25 0.00 0.00 42.46 41.31 1th3 s ILE 151 CO 0.39 -0.06 0.07 0.12 0.24 0.00 0.00 174.94 175.70 1th3 s PHE 152 N -3.76 1.42 0.13 1.37 5.36 -1.06 -4.95 117.98 116.49 1th3 s PHE 152 Ca 0.36 -1.16 -0.12 0.00 -0.96 0.00 0.00 56.93 55.05 1th3 s PHE 152 Cb 0.08 -0.82 -0.06 0.00 -0.34 0.00 0.00 43.02 41.88 1th3 s PHE 152 CO 0.12 -0.33 1.46 0.74 -1.46 0.00 0.00 175.22 175.75 1th3 h PHE 153 N 2.48 1.03 -2.61 10.12 -1.00 -1.89 -3.39 116.94 121.68 1th3 h PHE 153 Ca -0.38 -0.31 -0.61 0.00 2.81 0.00 0.00 57.97 59.49 1th3 h PHE 153 Cb 1.24 -0.22 -0.14 0.00 3.61 0.00 0.00 35.95 40.44 1th3 h PHE 153 CO 0.47 1.11 -0.74 0.96 -1.61 0.00 0.00 178.31 178.49 1th3 s ILE 154 N -4.40 2.82 -0.14 -0.55 -4.36 -1.26 -2.19 121.20 111.11 1th3 s ILE 154 Ca -0.12 -2.05 0.18 0.00 -0.26 0.00 0.00 60.65 58.41 1th3 s ILE 154 Cb 0.10 -2.44 0.31 0.00 1.25 0.00 0.00 42.46 41.68 1th3 s ILE 154 CO 0.86 -0.26 1.17 -2.11 0.24 0.00 0.00 174.94 174.83 1th3 n ARG 155 N -0.32 1.36 -3.60 0.37 1.85 -1.26 -4.72 116.66 110.34 1th3 n ARG 155 Ca -0.08 -2.63 -0.16 0.00 -1.00 0.00 0.00 57.85 53.97 1th3 n ARG 155 Cb 0.58 -1.52 -0.14 0.00 -1.05 0.00 0.00 32.46 30.33 1th3 n ARG 155 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1th3 s ASP 156 N -2.86 0.81 0.60 2.89 -1.08 -1.26 -4.45 116.67 111.32 1th3 s ASP 156 Ca 0.33 0.24 0.29 0.00 -0.52 0.00 0.00 52.55 52.88 1th3 s ASP 156 Cb 0.29 0.49 1.20 0.00 -1.46 0.00 0.00 42.92 43.43 1th3 s ASP 156 CO 0.03 -0.27 1.57 0.00 0.52 0.00 0.00 175.17 177.01 1th3 h ALA 157 N 8.32 2.67 0.00 3.66 0.00 -1.88 -0.32 119.26 131.70 1th3 h ALA 157 Ca -0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1th3 h ALA 157 Cb 1.13 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1th3 h ALA 157 CO 0.19 -1.34 0.00 1.28 0.00 0.00 0.00 179.25 179.38 1th3 n LEU 158 N -3.46 0.61 -0.39 0.00 4.77 -1.26 -2.21 117.00 115.04 1th3 n LEU 158 Ca 0.18 0.72 0.07 0.00 -0.03 0.00 0.00 56.01 56.95 1th3 n LEU 158 Cb 1.19 -0.73 0.02 0.00 -2.33 0.00 0.00 43.42 41.57 1th3 n LEU 158 CO 0.26 -0.79 0.31 0.18 -1.33 0.00 0.00 177.39 176.02 1th3 n LEU 159 N -2.25 1.69 -0.08 2.23 4.32 -0.13 -4.59 117.00 118.19 1th3 n LEU 159 Ca 0.00 -0.83 -0.12 0.00 -0.02 0.00 0.00 56.01 55.04 1th3 n LEU 159 Cb 0.12 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.87 1th3 n LEU 159 CO 0.14 0.32 0.70 0.15 -1.22 0.00 0.00 177.39 177.47 1th3 h PHE 160 N 1.93 0.54 -0.60 -1.77 3.57 -1.58 0.10 116.94 119.15 1th3 h PHE 160 Ca 0.00 -0.12 0.05 0.00 3.53 0.00 0.00 57.97 61.43 1th3 h PHE 160 Cb 0.51 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.07 1th3 h PHE 160 CO 0.00 0.72 0.32 -1.00 -2.23 0.00 0.00 178.31 176.12 1th3 h PRO 161 N 0.22 0.58 0.11 6.41 0.13 -1.81 0.11 132.00 137.74 1th3 h PRO 161 Ca 0.06 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.15 1th3 h PRO 161 Cb 0.55 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.55 1th3 h PRO 161 CO 0.03 0.39 -0.05 0.77 -0.23 0.00 0.00 178.00 178.90 1th3 h SER 162 N 0.60 -0.12 0.08 1.44 0.02 -1.81 -1.88 113.55 111.87 1th3 h SER 162 Ca 0.27 -0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.15 1th3 h SER 162 Cb 0.16 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 1th3 h SER 162 CO -0.17 -0.00 -0.43 0.15 -1.14 0.00 0.00 176.83 175.24 1th3 h PHE 163 N -0.24 -1.24 -1.01 3.45 3.57 -0.21 0.36 116.94 121.62 1th3 h PHE 163 Ca -0.02 0.03 0.21 0.00 3.53 0.00 0.00 57.97 61.73 1th3 h PHE 163 Cb 0.19 0.53 -0.11 0.00 2.79 0.00 0.00 35.95 39.35 1th3 h PHE 163 CO -0.04 -0.48 0.61 0.82 -2.23 0.00 0.00 178.31 176.99 1th3 h ILE 164 N -0.59 0.65 -0.71 1.41 1.08 -0.81 1.39 117.51 119.92 1th3 h ILE 164 Ca -0.00 -0.24 -0.02 0.00 -0.39 0.00 0.00 64.86 64.21 1th3 h ILE 164 Cb 0.60 -0.12 -0.03 0.00 -3.07 0.00 0.00 36.82 34.20 1th3 h ILE 164 CO -0.24 0.13 0.38 0.45 -0.69 0.00 0.00 178.15 178.17 1th3 h HIS 165 N 0.70 0.98 -0.84 1.37 3.86 -0.39 -1.03 115.15 119.81 1th3 h HIS 165 Ca 0.60 -0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.82 1th3 h HIS 165 Cb 1.01 -0.31 -0.05 0.00 1.06 0.00 0.00 27.41 29.12 1th3 h HIS 165 CO -0.00 0.70 0.53 1.03 0.86 0.00 0.00 177.93 181.05 1th3 h SER 166 N 0.98 0.87 1.18 2.45 0.87 0.59 -1.97 113.55 118.52 1th3 h SER 166 Ca 0.25 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1th3 h SER 166 Cb 0.05 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 1th3 h SER 166 CO -0.04 0.59 -0.08 0.00 -0.53 0.00 0.00 176.83 176.78 1th3 n GLN 167 N -4.58 0.14 0.00 2.24 1.13 -0.18 -3.30 117.38 112.83 1th3 n GLN 167 Ca 0.11 0.11 0.00 0.00 -1.94 0.00 0.00 57.00 55.27 1th3 n GLN 167 Cb 0.10 -1.65 0.00 0.00 0.11 0.00 0.00 30.24 28.80 1th3 n GLN 167 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1th3 n LYS 168 N -1.90 3.59 -2.76 -1.09 4.01 -0.43 -4.92 118.16 114.67 1th3 n LYS 168 Ca 0.06 0.00 -0.27 0.00 -0.51 0.00 0.00 58.31 57.59 1th3 n LYS 168 Cb 0.39 0.00 -0.00 0.00 -0.51 0.00 0.00 35.03 34.91 1th3 n LYS 168 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1th3 s ARG 169 N 2.39 3.50 0.14 1.97 0.52 -1.26 -4.35 118.95 121.86 1th3 s ARG 169 Ca 0.00 0.08 -0.31 0.00 -0.52 0.00 0.00 55.73 54.99 1th3 s ARG 169 Cb 0.00 -2.42 -0.08 0.00 0.52 0.00 0.00 34.95 32.97 1th3 s ARG 169 CO 0.00 -0.17 1.31 1.21 0.02 0.00 0.00 175.30 177.67 1th3 s ASN 170 N -4.11 6.92 0.54 0.23 3.84 -0.56 -4.89 114.94 116.92 1th3 s ASN 170 Ca 0.46 2.29 0.28 0.00 0.21 0.00 0.00 52.86 56.10 1th3 s ASN 170 Cb -0.10 -2.59 1.45 0.00 -0.55 0.00 0.00 41.25 39.45 1th3 s ASN 170 CO 0.43 -0.55 1.95 1.55 -2.79 0.00 0.00 177.10 177.69 1th3 h PRO 171 N 6.17 0.00 0.00 0.43 0.13 -1.97 -0.86 132.00 135.91 1th3 h PRO 171 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1th3 h PRO 171 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1th3 h PRO 171 CO 0.81 0.00 -0.97 0.94 -0.23 0.00 0.00 178.00 178.55 1th3 n GLN 172 N -4.24 0.52 0.26 0.86 7.27 -1.26 -4.66 117.38 116.12 1th3 n GLN 172 Ca 0.12 0.22 0.15 0.00 0.07 0.00 0.00 57.00 57.57 1th3 n GLN 172 Cb 0.73 -1.43 0.54 0.00 2.41 0.00 0.00 30.24 32.50 1th3 n GLN 172 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 1th3 h THR 173 N -0.99 0.08 -2.18 1.69 1.35 -1.97 -3.46 112.91 107.42 1th3 h THR 173 Ca 0.00 -0.71 -0.38 0.00 -0.55 0.00 0.00 66.41 64.77 1th3 h THR 173 Cb 0.97 1.66 -0.06 0.00 -1.73 0.00 0.00 68.15 68.99 1th3 h THR 173 CO 0.00 0.03 -0.45 1.57 -0.25 0.00 0.00 175.52 176.43 1th3 n HIS 174 N -3.13 -0.64 -4.37 4.73 -0.00 -0.33 -4.93 115.22 106.55 1th3 n HIS 174 Ca 0.01 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 57.95 1th3 n HIS 174 Cb 0.37 -3.55 -0.09 0.00 -0.12 0.00 0.00 29.99 26.60 1th3 n HIS 174 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1th3 s LEU 175 N -5.11 2.88 0.91 0.27 1.43 -1.26 -4.73 118.68 113.07 1th3 s LEU 175 Ca 0.00 -0.80 -0.11 0.00 -1.03 0.00 0.00 54.13 52.19 1th3 s LEU 175 Cb 0.00 -1.43 0.14 0.00 0.03 0.00 0.00 46.19 44.93 1th3 s LEU 175 CO 0.00 0.04 1.11 -0.54 0.23 0.00 0.00 176.35 177.19 1th3 s LYS 176 N -3.44 1.06 -0.23 1.70 -0.14 -1.26 -1.49 119.74 115.94 1th3 s LYS 176 Ca 0.29 1.30 -0.03 0.00 -1.36 0.00 0.00 55.97 56.17 1th3 s LYS 176 Cb -0.06 -1.75 0.12 0.00 -1.68 0.00 0.00 37.83 34.46 1th3 s LYS 176 CO 0.17 -2.52 0.34 0.34 -0.76 0.00 0.00 175.35 172.92 1th3 s ASP 177 N -2.89 0.44 0.18 2.83 -1.08 -1.26 -4.80 116.67 110.09 1th3 s ASP 177 Ca 0.65 0.19 -0.14 0.00 -0.52 0.00 0.00 52.55 52.74 1th3 s ASP 177 Cb -0.21 0.97 0.09 0.00 -1.46 0.00 0.00 42.92 42.31 1th3 s ASP 177 CO 0.58 -0.30 1.83 1.55 0.52 0.00 0.00 175.17 179.35 1th3 h PRO 178 N 8.21 0.66 -0.50 4.34 0.13 -1.93 -1.51 132.00 141.40 1th3 h PRO 178 Ca -0.19 -0.04 0.10 0.00 -0.87 0.00 0.00 66.00 65.00 1th3 h PRO 178 Cb 1.15 -0.15 -0.10 0.00 0.13 0.00 0.00 31.00 32.04 1th3 h PRO 178 CO 0.26 0.44 -0.14 -0.44 -0.23 0.00 0.00 178.00 177.89 1th3 h ASP 179 N 0.68 -0.50 0.73 1.44 5.19 -1.96 0.99 116.42 123.00 1th3 h ASP 179 Ca 0.21 0.15 -0.03 0.00 -0.62 0.00 0.00 57.03 56.74 1th3 h ASP 179 Cb -0.03 0.32 0.00 0.00 0.18 0.00 0.00 39.33 39.81 1th3 h ASP 179 CO -0.07 -0.17 -0.39 0.24 -3.12 0.00 0.00 179.24 175.72 1th3 h MET 180 N -0.01 -1.00 -0.37 3.56 2.86 -1.75 0.40 114.93 118.61 1th3 h MET 180 Ca 0.24 0.07 0.04 0.00 -2.06 0.00 0.00 59.70 57.99 1th3 h MET 180 Cb 0.38 0.23 -0.07 0.00 0.06 0.00 0.00 31.60 32.19 1th3 h MET 180 CO -0.52 -0.66 -0.46 0.28 1.06 0.00 0.00 176.91 176.61 1th3 h VAL 181 N -1.03 0.00 0.00 -2.22 2.07 -0.54 -2.38 116.25 112.14 1th3 h VAL 181 Ca -0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1th3 h VAL 181 Cb 0.81 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1th3 h VAL 181 CO 0.13 0.00 0.00 -0.50 0.02 0.00 0.00 177.57 177.22 1th3 h TRP 182 N -0.30 0.00 0.00 1.57 4.06 -0.85 -2.73 115.95 117.70 1th3 h TRP 182 Ca 0.06 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.88 1th3 h TRP 182 Cb 0.47 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.61 1th3 h TRP 182 CO -0.73 0.00 -0.63 0.22 -3.56 0.00 0.00 178.44 173.74 1th3 h ASP 183 N 0.00 0.00 0.03 -3.49 3.58 0.24 -1.22 116.42 115.56 1th3 h ASP 183 Ca 0.00 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 1th3 h ASP 183 Cb 0.70 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.76 1th3 h ASP 183 CO 0.00 0.63 -0.26 0.15 -2.88 0.00 0.00 179.24 176.88 1th3 h PHE 184 N 0.00 0.20 -0.88 0.28 3.57 -1.37 -2.84 116.94 115.90 1th3 h PHE 184 Ca -0.01 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.33 1th3 h PHE 184 Cb 1.29 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.97 1th3 h PHE 184 CO 0.00 1.04 0.45 -1.49 -2.23 0.00 0.00 178.31 176.09 1th3 h TRP 185 N -0.69 1.24 -0.55 0.41 6.55 -1.53 -2.24 115.95 119.14 1th3 h TRP 185 Ca -0.04 -0.05 -0.08 0.00 0.95 0.00 0.00 58.89 59.67 1th3 h TRP 185 Cb 1.14 -0.39 -0.02 0.00 -0.86 0.00 0.00 29.16 29.03 1th3 h TRP 185 CO 0.23 0.87 0.03 1.03 -1.05 0.00 0.00 178.44 179.55 1th3 h SER 186 N 1.24 0.89 1.06 -3.49 0.87 -1.32 -2.58 113.55 110.22 1th3 h SER 186 Ca 0.31 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1th3 h SER 186 Cb 0.07 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 1th3 h SER 186 CO -0.04 0.94 0.00 0.18 -0.53 0.00 0.00 176.83 177.37 1th3 n LEU 187 N -4.21 0.10 -3.54 2.23 4.77 -1.07 -4.37 117.00 110.92 1th3 n LEU 187 Ca 0.03 0.51 -0.28 0.00 -0.03 0.00 0.00 56.01 56.24 1th3 n LEU 187 Cb 0.31 -0.48 -0.11 0.00 -2.33 0.00 0.00 43.42 40.81 1th3 n LEU 187 CO 0.42 -0.02 -0.25 -0.13 -1.33 0.00 0.00 177.39 176.08 1th3 s ARG 188 N -3.01 1.23 0.19 3.23 1.81 -0.87 -4.97 118.95 116.56 1th3 s ARG 188 Ca 0.14 -2.27 0.12 0.00 -1.72 0.00 0.00 55.73 51.99 1th3 s ARG 188 Cb 0.18 -1.92 0.64 0.00 -0.45 0.00 0.00 34.95 33.40 1th3 s ARG 188 CO 0.54 -1.32 1.34 -0.35 -0.68 0.00 0.00 175.30 174.82 1th3 n PRO 189 N 2.87 0.08 0.34 3.54 -0.04 -1.23 -2.31 135.00 138.24 1th3 n PRO 189 Ca 0.23 0.56 0.21 0.00 -0.04 0.00 0.00 63.50 64.47 1th3 n PRO 189 Cb 0.43 -1.80 1.14 0.00 -0.04 0.00 0.00 33.50 33.22 1th3 n PRO 189 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1th3 h GLU 190 N 0.00 0.00 0.00 0.54 9.09 -1.87 0.21 114.58 122.55 1th3 h GLU 190 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1th3 h GLU 190 Cb 0.09 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.19 1th3 h GLU 190 CO 0.00 0.00 0.00 0.66 0.05 0.00 0.00 179.01 179.72 1th3 h SER 191 N 0.00 0.00 -0.92 3.06 4.64 -1.02 -3.36 113.55 115.95 1th3 h SER 191 Ca 0.00 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.48 1th3 h SER 191 Cb 0.15 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.08 1th3 h SER 191 CO -0.00 0.00 -0.31 0.18 -0.87 0.00 0.00 176.83 175.83 1th3 n LEU 192 N -2.41 -0.50 0.22 5.97 4.77 0.75 0.39 117.00 126.19 1th3 n LEU 192 Ca 0.05 1.60 -0.14 0.00 -0.03 0.00 0.00 56.01 57.48 1th3 n LEU 192 Cb 0.43 -0.41 -0.08 0.00 -2.33 0.00 0.00 43.42 41.03 1th3 n LEU 192 CO 0.30 -1.47 0.52 -0.74 -1.33 0.00 0.00 177.39 174.67 1th3 h HIS 193 N 0.00 -1.11 0.00 -1.77 2.76 -1.79 -2.06 115.15 111.19 1th3 h HIS 193 Ca 0.37 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.48 1th3 h HIS 193 Cb 0.60 0.43 -0.01 0.00 1.55 0.00 0.00 27.41 29.98 1th3 h HIS 193 CO -0.77 -0.52 -0.33 0.37 -1.30 0.00 0.00 177.93 175.38 1th3 h GLN 194 N -0.78 0.00 -0.05 5.26 5.75 -1.51 -2.70 115.11 121.09 1th3 h GLN 194 Ca -0.05 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.47 1th3 h GLN 194 Cb 0.68 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.21 1th3 h GLN 194 CO -0.06 0.33 -0.05 0.28 -2.65 0.00 0.00 178.83 176.68 1th3 h VAL 195 N 0.00 0.85 -0.43 2.39 2.07 0.09 0.02 116.25 121.24 1th3 h VAL 195 Ca -0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 1th3 h VAL 195 Cb 0.59 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1th3 h VAL 195 CO 0.04 0.00 0.34 0.28 0.02 0.00 0.00 177.57 178.25 1th3 h SER 196 N -0.07 0.00 0.74 0.57 0.02 -1.05 0.14 113.55 113.90 1th3 h SER 196 Ca 0.04 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.73 1th3 h SER 196 Cb 0.12 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1th3 h SER 196 CO -0.09 0.00 -1.18 0.15 -1.14 0.00 0.00 176.83 174.57 1th3 h PHE 197 N 0.00 0.33 -0.10 3.45 3.57 -1.00 -2.99 116.94 120.21 1th3 h PHE 197 Ca 0.20 -0.24 -0.05 0.00 3.53 0.00 0.00 57.97 61.41 1th3 h PHE 197 Cb 0.88 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.60 1th3 h PHE 197 CO 0.00 1.19 -0.14 1.25 -2.23 0.00 0.00 178.31 178.38 1th3 h LEU 198 N 0.05 0.30 -0.72 0.59 5.85 0.79 -3.11 115.31 119.05 1th3 h LEU 198 Ca -0.10 -0.52 0.00 0.00 0.84 0.00 0.00 57.88 58.09 1th3 h LEU 198 Cb 1.91 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.86 1th3 h LEU 198 CO 0.18 0.76 0.00 0.49 -0.34 0.00 0.00 178.44 179.53 1th3 n PHE 199 N -4.59 0.24 -2.65 1.25 3.01 -0.36 -2.85 117.46 111.50 1th3 n PHE 199 Ca -0.07 -0.10 -0.16 0.00 1.01 0.00 0.00 57.45 58.12 1th3 n PHE 199 Cb 0.37 -0.04 0.08 0.00 -0.01 0.00 0.00 39.48 39.88 1th3 n PHE 199 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1th3 n SER 200 N -0.04 1.13 -0.32 4.37 2.88 -1.13 -4.35 113.62 116.17 1th3 n SER 200 Ca 0.05 -1.90 0.10 0.00 -1.33 0.00 0.00 58.87 55.79 1th3 n SER 200 Cb 0.18 -0.43 0.31 0.00 -0.75 0.00 0.00 64.21 63.53 1th3 n SER 200 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1th3 h ASP 201 N -0.30 0.78 -0.17 -3.46 5.19 -1.87 0.09 116.42 116.68 1th3 h ASP 201 Ca -0.23 0.05 0.05 0.00 -0.62 0.00 0.00 57.03 56.28 1th3 h ASP 201 Cb 0.89 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.29 1th3 h ASP 201 CO 0.26 0.39 0.23 0.03 -3.12 0.00 0.00 179.24 177.04 1th3 h ARG 202 N 0.83 0.00 -0.60 3.56 -0.00 -1.87 -3.20 114.38 113.10 1th3 h ARG 202 Ca 0.48 0.00 0.24 0.00 -0.50 0.00 0.00 59.98 60.20 1th3 h ARG 202 Cb 0.64 0.00 -0.11 0.00 0.00 0.00 0.00 29.97 30.50 1th3 h ARG 202 CO -0.25 0.00 0.28 0.41 0.00 0.00 0.00 179.97 180.41 1th3 n GLY 203 N -1.36 -0.50 2.64 0.04 0.00 0.02 -3.43 105.19 102.59 1th3 n GLY 203 Ca 0.01 0.50 -0.29 0.00 0.00 0.00 0.00 46.02 46.24 1th3 n GLY 203 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1th3 s ILE 204 N -4.99 0.50 0.57 -0.61 1.01 -1.21 -2.46 121.20 114.00 1th3 s ILE 204 Ca -0.06 -1.23 -0.18 0.00 0.00 0.00 0.00 60.65 59.18 1th3 s ILE 204 Cb 0.20 -1.39 -0.05 0.00 0.01 0.00 0.00 42.46 41.24 1th3 s ILE 204 CO 0.47 -0.73 1.11 -2.16 0.00 0.00 0.00 174.94 173.63 1th3 s PRO 205 N 1.70 3.28 -0.79 2.79 0.04 -1.22 -1.23 135.00 139.57 1th3 s PRO 205 Ca 0.10 1.49 -0.22 0.00 0.04 0.00 0.00 61.00 62.42 1th3 s PRO 205 Cb -0.17 -2.01 0.08 0.00 0.04 0.00 0.00 34.50 32.44 1th3 s PRO 205 CO -0.27 -0.88 1.09 0.34 0.04 0.00 0.00 177.00 177.33 1th3 s ASP 206 N -2.08 6.34 0.05 6.66 2.15 0.13 -4.62 116.67 125.31 1th3 s ASP 206 Ca 0.70 -1.31 0.00 0.00 0.43 0.00 0.00 52.55 52.37 1th3 s ASP 206 Cb -0.21 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 1th3 s ASP 206 CO 0.30 -1.37 0.00 0.61 -0.17 0.00 0.00 175.17 174.54 1th3 n GLY 207 N 5.56 -1.47 0.09 2.66 0.00 -1.26 -3.96 105.19 106.81 1th3 n GLY 207 Ca 0.09 -1.48 -0.11 0.00 0.00 0.00 0.00 46.02 44.52 1th3 n GLY 207 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1th3 h HIS 208 N -0.19 0.10 -0.03 1.61 3.86 -1.89 -3.38 115.15 115.24 1th3 h HIS 208 Ca 0.00 -0.07 0.01 0.00 -1.16 0.00 0.00 60.37 59.15 1th3 h HIS 208 Cb 0.19 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.65 1th3 h HIS 208 CO -0.41 1.15 0.03 0.00 0.86 0.00 0.00 177.93 179.56 1th3 h ARG 209 N 0.02 0.00 -1.24 2.45 3.08 -1.94 -3.06 114.38 113.68 1th3 h ARG 209 Ca -0.30 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.06 1th3 h ARG 209 Cb 2.01 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 31.76 1th3 h ARG 209 CO 0.09 0.00 0.75 0.72 -1.07 0.00 0.00 179.97 180.45 1th3 n HIS 210 N -4.06 3.14 -4.06 3.04 8.25 -1.25 -4.46 115.22 115.82 1th3 n HIS 210 Ca -0.02 -2.80 -0.09 0.00 -0.26 0.00 0.00 57.72 54.54 1th3 n HIS 210 Cb 0.12 -1.26 -0.11 0.00 1.12 0.00 0.00 29.99 29.86 1th3 n HIS 210 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1th3 s MET 211 N -3.86 0.53 0.20 -0.41 0.23 -1.16 -2.21 119.30 112.61 1th3 s MET 211 Ca 0.60 -0.95 -0.10 0.00 -1.03 0.00 0.00 55.69 54.21 1th3 s MET 211 Cb 0.48 0.02 -0.07 0.00 -1.53 0.00 0.00 34.83 33.73 1th3 s MET 211 CO -0.11 -0.05 0.53 -0.51 -2.03 0.00 0.00 175.02 172.85 1th3 s ASP 212 N -2.21 6.66 -0.03 -1.18 1.01 -1.26 -4.02 116.67 115.63 1th3 s ASP 212 Ca -0.03 0.92 -0.03 0.00 0.71 0.00 0.00 52.55 54.13 1th3 s ASP 212 Cb -0.02 -2.23 -0.04 0.00 1.01 0.00 0.00 42.92 41.65 1th3 s ASP 212 CO -0.04 -0.01 0.14 -0.83 0.21 0.00 0.00 175.17 174.64 1th3 s GLY 213 N -2.18 2.12 -0.04 0.21 0.00 0.76 -4.21 107.32 103.97 1th3 s GLY 213 Ca 0.44 -0.77 -0.02 0.00 0.00 0.00 0.00 44.72 44.37 1th3 s GLY 213 CO 0.21 -0.62 0.10 -0.19 0.00 0.00 0.00 173.10 172.59 1th3 s TYR 214 N -1.21 -0.09 -0.66 1.90 2.02 0.50 -1.31 117.35 118.50 1th3 s TYR 214 Ca 0.23 0.31 0.25 0.00 -0.37 0.00 0.00 57.07 57.49 1th3 s TYR 214 Cb -0.12 -0.10 0.90 0.00 -0.40 0.00 0.00 41.96 42.24 1th3 s TYR 214 CO 0.14 -0.11 1.75 0.41 -1.57 0.00 0.00 175.55 176.16 1th3 n GLY 215 N 3.89 -1.49 5.00 0.71 0.00 -1.15 -1.25 105.19 110.90 1th3 n GLY 215 Ca -0.23 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1th3 n GLY 215 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1th3 n SER 216 N -2.17 0.00 -4.53 1.61 7.64 -1.26 -4.73 113.62 110.18 1th3 n SER 216 Ca 0.04 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.63 1th3 n SER 216 Cb 0.33 0.00 0.22 0.00 -1.01 0.00 0.00 64.21 63.75 1th3 n SER 216 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1th3 n HIS 217 N 0.00 -0.55 -3.39 1.43 8.25 -1.26 -4.80 115.22 114.90 1th3 n HIS 217 Ca 0.00 0.06 -0.38 0.00 -0.26 0.00 0.00 57.72 57.14 1th3 n HIS 217 Cb 0.00 -1.80 -0.07 0.00 1.12 0.00 0.00 29.99 29.24 1th3 n HIS 217 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1th3 s THR 218 N -2.48 5.21 0.09 1.59 2.01 -1.26 -4.63 115.64 116.17 1th3 s THR 218 Ca 0.67 0.76 0.00 0.00 0.31 0.00 0.00 61.69 63.43 1th3 s THR 218 Cb -0.24 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.54 1th3 s THR 218 CO 0.63 0.30 0.04 0.49 -0.69 0.00 0.00 174.62 175.38 1th3 n PHE 219 N 4.09 -0.68 -4.45 4.92 3.72 -0.16 -3.22 117.46 121.67 1th3 n PHE 219 Ca -0.08 -0.42 -0.22 0.00 -0.05 0.00 0.00 57.45 56.68 1th3 n PHE 219 Cb 0.51 -0.07 -0.16 0.00 -0.94 0.00 0.00 39.48 38.83 1th3 n PHE 219 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1th3 s LYS 220 N -2.36 1.19 0.12 -1.08 2.20 0.44 -1.52 119.74 118.73 1th3 s LYS 220 Ca 0.03 -0.33 0.07 0.00 -0.36 0.00 0.00 55.97 55.38 1th3 s LYS 220 Cb -0.00 -1.07 -0.04 0.00 -1.51 0.00 0.00 37.83 35.21 1th3 s LYS 220 CO 0.02 0.08 -0.08 -0.51 -0.36 0.00 0.00 175.35 174.50 1th3 s LEU 221 N 0.38 3.08 -0.12 5.43 1.43 0.51 0.01 118.68 129.40 1th3 s LEU 221 Ca -0.07 -0.40 -0.05 0.00 -1.03 0.00 0.00 54.13 52.58 1th3 s LEU 221 Cb -0.11 -1.85 0.06 0.00 0.03 0.00 0.00 46.19 44.32 1th3 s LEU 221 CO 0.01 0.16 0.27 -0.69 0.23 0.00 0.00 176.35 176.33 1th3 s VAL 222 N -1.32 -0.26 0.83 -1.59 1.01 -0.35 -0.89 120.40 117.82 1th3 s VAL 222 Ca 0.23 0.22 -0.11 0.00 0.00 0.00 0.00 61.98 62.32 1th3 s VAL 222 Cb -0.11 -0.43 0.13 0.00 0.00 0.00 0.00 36.38 35.97 1th3 s VAL 222 CO 0.15 0.09 1.18 0.54 0.00 0.00 0.00 175.10 177.06 1th3 s ASN 223 N 1.95 4.01 0.00 3.32 2.20 -0.68 0.36 114.94 126.11 1th3 s ASN 223 Ca -0.03 0.37 0.03 0.00 -0.94 0.00 0.00 52.86 52.29 1th3 s ASN 223 Cb -0.11 -0.71 0.16 0.00 -2.00 0.00 0.00 41.25 38.59 1th3 s ASN 223 CO -0.09 -2.15 0.59 0.00 -2.94 0.00 0.00 177.10 172.51 1th3 n ALA 224 N -3.35 1.95 0.11 3.54 0.00 -1.26 -1.42 120.51 120.08 1th3 n ALA 224 Ca 0.12 -0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.57 1th3 n ALA 224 Cb 0.60 -1.04 0.06 0.00 0.00 0.00 0.00 19.45 19.07 1th3 n ALA 224 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1th3 n ASP 225 N -0.60 2.06 -0.00 0.00 -0.08 -1.26 -4.99 116.55 111.68 1th3 n ASP 225 Ca 0.02 -1.63 -0.00 0.00 -1.51 0.00 0.00 54.79 51.67 1th3 n ASP 225 Cb 0.01 -0.07 -0.00 0.00 2.34 0.00 0.00 41.12 43.40 1th3 n ASP 225 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1th3 n GLY 226 N 0.28 0.48 3.76 0.27 0.00 -0.51 -5.02 105.19 104.45 1th3 n GLY 226 Ca 0.06 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1th3 n GLY 226 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1th3 s GLU 227 N -0.18 4.17 0.12 1.61 2.02 -1.26 -4.89 118.70 120.28 1th3 s GLU 227 Ca 0.00 0.28 0.09 0.00 0.02 0.00 0.00 54.97 55.36 1th3 s GLU 227 Cb 0.00 -3.37 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 1th3 s GLU 227 CO 0.00 0.34 -0.19 0.00 0.02 0.00 0.00 175.26 175.44 1th3 s ALA 228 N 0.08 2.66 -0.06 5.21 0.00 -1.26 -1.68 121.76 126.72 1th3 s ALA 228 Ca 0.21 -1.37 -0.13 0.00 0.00 0.00 0.00 51.96 50.68 1th3 s ALA 228 Cb -0.15 -0.63 0.03 0.00 0.00 0.00 0.00 23.12 22.37 1th3 s ALA 228 CO 0.08 0.59 0.31 0.54 0.00 0.00 0.00 175.76 177.28 1th3 s VAL 229 N -1.15 0.03 0.34 0.00 0.11 -0.07 -4.73 120.40 114.94 1th3 s VAL 229 Ca 0.18 -0.28 -0.26 0.00 -2.93 0.00 0.00 61.98 58.69 1th3 s VAL 229 Cb -0.10 -0.54 -0.10 0.00 -1.53 0.00 0.00 36.38 34.11 1th3 s VAL 229 CO 0.10 -0.15 1.00 -0.31 -3.33 0.00 0.00 175.10 172.40 1th3 s TYR 230 N -0.67 3.54 0.29 1.54 2.02 0.43 -0.36 117.35 124.14 1th3 s TYR 230 Ca -0.08 1.73 0.04 0.00 -0.37 0.00 0.00 57.07 58.40 1th3 s TYR 230 Cb -0.04 -3.03 -0.03 0.00 -0.40 0.00 0.00 41.96 38.46 1th3 s TYR 230 CO 0.02 -0.14 0.21 0.00 -1.57 0.00 0.00 175.55 174.08 1th3 s LYS 232 N -3.72 0.20 0.11 0.00 2.47 -1.19 -0.99 119.74 116.61 1th3 s LYS 232 Ca 0.39 0.64 -0.14 0.00 -1.56 0.00 0.00 55.97 55.30 1th3 s LYS 232 Cb 0.04 -0.08 -0.07 0.00 -1.46 0.00 0.00 37.83 36.27 1th3 s LYS 232 CO 0.21 -0.21 0.51 -0.06 0.16 0.00 0.00 175.35 175.96 1th3 s PHE 233 N 1.71 3.63 -0.13 4.03 0.40 -1.26 -0.22 117.98 126.14 1th3 s PHE 233 Ca -0.05 1.01 -0.04 0.00 -0.60 0.00 0.00 56.93 57.25 1th3 s PHE 233 Cb -0.11 -2.33 0.06 0.00 0.51 0.00 0.00 43.02 41.16 1th3 s PHE 233 CO -0.09 0.48 0.17 -1.01 0.70 0.00 0.00 175.22 175.47 1th3 s HIS 234 N -1.39 -0.15 -0.54 0.36 3.76 -0.39 -2.92 115.29 114.03 1th3 s HIS 234 Ca 0.35 0.36 0.00 0.00 -0.15 0.00 0.00 55.06 55.62 1th3 s HIS 234 Cb -0.15 -0.36 0.14 0.00 1.11 0.00 0.00 32.58 33.32 1th3 s HIS 234 CO 0.18 -0.40 0.31 1.52 -0.85 0.00 0.00 174.74 175.50 1th3 s TYR 235 N 2.28 3.38 0.31 1.40 1.13 -0.42 0.19 117.35 125.62 1th3 s TYR 235 Ca 0.04 -2.89 -0.27 0.00 -1.41 0.00 0.00 57.07 52.54 1th3 s TYR 235 Cb -0.14 -3.03 -0.09 0.00 -1.10 0.00 0.00 41.96 37.60 1th3 s TYR 235 CO -0.08 -0.83 0.98 0.15 -2.51 0.00 0.00 175.55 173.27 1th3 s LYS 236 N 0.07 4.57 0.48 -3.49 1.02 -0.65 -0.17 119.74 121.57 1th3 s LYS 236 Ca 0.15 1.46 -0.22 0.00 0.02 0.00 0.00 55.97 57.38 1th3 s LYS 236 Cb -0.23 -2.91 -0.07 0.00 -0.52 0.00 0.00 37.83 34.11 1th3 s LYS 236 CO -0.03 0.24 1.20 -0.08 -0.92 0.00 0.00 175.35 175.76 1th3 s THR 237 N -1.47 2.93 -1.90 2.17 -1.32 -1.26 0.11 115.64 114.91 1th3 s THR 237 Ca 0.49 0.69 0.19 0.00 -1.21 0.00 0.00 61.69 61.85 1th3 s THR 237 Cb -0.23 -3.34 0.44 0.00 -1.51 0.00 0.00 72.50 67.86 1th3 s THR 237 CO 0.29 -0.02 1.37 0.47 -2.21 0.00 0.00 174.62 174.52 1th3 n ASP 238 N -0.64 3.39 -0.93 8.08 8.00 0.33 -4.02 116.55 130.75 1th3 n ASP 238 Ca 0.08 -1.95 0.07 0.00 0.71 0.00 0.00 54.79 53.70 1th3 n ASP 238 Cb 0.48 -0.30 0.23 0.00 -0.02 0.00 0.00 41.12 41.51 1th3 n ASP 238 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1th3 n GLN 239 N 1.27 3.05 -1.05 -1.24 3.00 -1.26 -4.97 117.38 116.18 1th3 n GLN 239 Ca 0.18 -2.45 0.00 0.00 -0.01 0.00 0.00 57.00 54.72 1th3 n GLN 239 Cb 0.55 -1.56 0.00 0.00 0.00 0.00 0.00 30.24 29.23 1th3 n GLN 239 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1th3 n GLY 240 N 0.45 -3.68 3.74 1.08 0.00 -1.26 -4.84 105.19 100.68 1th3 n GLY 240 Ca 0.18 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 1th3 n GLY 240 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1th3 s ILE 241 N -4.80 3.72 -0.18 -0.61 1.01 -1.26 -4.48 121.20 114.59 1th3 s ILE 241 Ca 0.00 1.46 -0.05 0.00 0.00 0.00 0.00 60.65 62.06 1th3 s ILE 241 Cb 0.00 -3.93 0.09 0.00 0.01 0.00 0.00 42.46 38.63 1th3 s ILE 241 CO 0.00 0.24 0.33 -0.75 0.00 0.00 0.00 174.94 174.76 1th3 s LYS 242 N -0.29 0.24 0.49 2.79 2.20 -0.94 -5.04 119.74 119.20 1th3 s LYS 242 Ca 0.51 0.74 0.09 0.00 -0.36 0.00 0.00 55.97 56.95 1th3 s LYS 242 Cb -0.31 -0.12 0.04 0.00 -1.51 0.00 0.00 37.83 35.93 1th3 s LYS 242 CO 0.36 -0.38 0.64 -0.80 -0.36 0.00 0.00 175.35 174.81 1th3 s ASN 243 N 2.49 5.36 -0.08 1.43 0.01 -1.26 0.22 114.94 123.10 1th3 s ASN 243 Ca 0.03 -0.64 0.05 0.00 -0.71 0.00 0.00 52.86 51.58 1th3 s ASN 243 Cb -0.13 -0.23 -0.00 0.00 0.41 0.00 0.00 41.25 41.29 1th3 s ASN 243 CO -0.12 -1.00 -0.24 -0.76 -1.51 0.00 0.00 177.10 173.48 1th3 s LEU 244 N -4.46 2.07 0.46 0.60 1.43 -0.37 -4.53 118.68 113.88 1th3 s LEU 244 Ca 0.56 -0.54 -0.24 0.00 -1.03 0.00 0.00 54.13 52.89 1th3 s LEU 244 Cb -0.08 -1.38 -0.09 0.00 0.03 0.00 0.00 46.19 44.68 1th3 s LEU 244 CO 0.35 0.19 1.23 -1.54 0.23 0.00 0.00 176.35 176.80 1th3 n SER 245 N 3.31 2.28 -0.38 2.29 3.41 -1.26 -4.64 113.62 118.62 1th3 n SER 245 Ca -0.18 1.05 0.30 0.00 -0.26 0.00 0.00 58.87 59.77 1th3 n SER 245 Cb 0.53 -1.49 0.57 0.00 -0.26 0.00 0.00 64.21 63.56 1th3 n SER 245 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1th3 h VAL 246 N 1.79 0.30 0.12 -3.33 2.07 -1.99 0.85 116.25 116.06 1th3 h VAL 246 Ca -0.48 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 1th3 h VAL 246 Cb 1.31 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1th3 h VAL 246 CO 0.58 0.04 -0.06 -0.33 0.02 0.00 0.00 177.57 177.83 1th3 h GLU 247 N 0.23 -0.15 -0.47 1.57 5.08 -1.99 -2.59 114.58 116.27 1th3 h GLU 247 Ca 0.72 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 59.18 1th3 h GLU 247 Cb 2.04 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 31.22 1th3 h GLU 247 CO -0.39 -0.10 -0.24 -0.44 -1.00 0.00 0.00 179.01 176.84 1th3 h ASP 248 N -0.19 -0.81 -0.74 1.42 3.32 -1.67 -0.15 116.42 117.59 1th3 h ASP 248 Ca -0.02 0.18 0.14 0.00 0.02 0.00 0.00 57.03 57.35 1th3 h ASP 248 Cb 0.12 0.43 -0.14 0.00 0.22 0.00 0.00 39.33 39.96 1th3 h ASP 248 CO 0.03 -0.26 -0.28 0.00 -1.72 0.00 0.00 179.24 177.00 1th3 h ALA 249 N 1.13 0.23 -0.01 3.45 0.00 -0.95 0.93 119.26 124.04 1th3 h ALA 249 Ca 0.22 0.24 -0.07 0.00 0.00 0.00 0.00 54.91 55.30 1th3 h ALA 249 Cb 0.48 0.74 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1th3 h ALA 249 CO -0.55 -0.55 -0.34 0.00 0.00 0.00 0.00 179.25 177.80 1th3 h ALA 250 N 1.40 1.41 0.23 0.00 0.00 -0.79 0.68 119.26 122.19 1th3 h ALA 250 Ca 0.31 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1th3 h ALA 250 Cb 0.57 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1th3 h ALA 250 CO -0.79 0.44 -0.11 -0.09 0.00 0.00 0.00 179.25 178.70 1th3 h ARG 251 N 0.02 -0.30 -0.78 0.00 2.43 0.16 -3.15 114.38 112.76 1th3 h ARG 251 Ca -0.00 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.23 1th3 h ARG 251 Cb 0.62 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.18 1th3 h ARG 251 CO 0.05 0.08 0.49 -0.07 -1.51 0.00 0.00 179.97 179.00 1th3 h LEU 252 N -0.81 0.79 -0.75 3.80 4.07 0.75 0.22 115.31 123.37 1th3 h LEU 252 Ca -0.03 0.01 0.07 0.00 0.08 0.00 0.00 57.88 58.01 1th3 h LEU 252 Cb 0.51 -0.16 -0.09 0.00 1.08 0.00 0.00 40.66 42.00 1th3 h LEU 252 CO 0.05 0.53 -0.42 0.00 -1.08 0.00 0.00 178.44 177.52 1th3 n ALA 253 N -2.34 -0.43 0.01 1.53 0.00 0.23 0.19 120.51 119.71 1th3 n ALA 253 Ca 0.10 0.65 0.01 0.00 0.00 0.00 0.00 53.44 54.19 1th3 n ALA 253 Cb 0.12 -0.13 -0.10 0.00 0.00 0.00 0.00 19.45 19.34 1th3 n ALA 253 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1th3 n HIS 254 N -4.95 0.72 -0.04 0.00 1.44 -1.08 -2.69 115.22 108.61 1th3 n HIS 254 Ca 0.02 0.24 -0.13 0.00 -2.01 0.00 0.00 57.72 55.84 1th3 n HIS 254 Cb 0.21 -0.99 -0.08 0.00 0.12 0.00 0.00 29.99 29.25 1th3 n HIS 254 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1th3 h GLU 255 N 0.00 0.21 -2.19 -1.40 5.08 -0.15 -3.39 114.58 112.73 1th3 h GLU 255 Ca -0.19 -0.09 -0.51 0.00 -1.00 0.00 0.00 59.36 57.57 1th3 h GLU 255 Cb 1.56 -0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.46 1th3 h GLU 255 CO 0.03 0.57 -0.87 0.34 -1.00 0.00 0.00 179.01 178.09 1th3 s ASP 256 N -5.86 1.29 0.48 1.42 2.15 0.13 -5.00 116.67 111.28 1th3 s ASP 256 Ca -0.15 -2.61 0.23 0.00 0.43 0.00 0.00 52.55 50.46 1th3 s ASP 256 Cb 0.04 -0.04 1.27 0.00 -0.30 0.00 0.00 42.92 43.88 1th3 s ASP 256 CO 0.71 -0.19 1.90 -0.65 -0.17 0.00 0.00 175.17 176.78 1th3 h PRO 257 N 5.94 0.19 -1.00 4.34 0.11 -1.48 0.11 132.00 140.21 1th3 h PRO 257 Ca 0.19 -0.01 -0.44 0.00 0.11 0.00 0.00 66.00 65.85 1th3 h PRO 257 Cb 0.96 -0.04 -0.26 0.00 0.11 0.00 0.00 31.00 31.76 1th3 h PRO 257 CO 0.29 0.13 0.56 -0.25 -0.21 0.00 0.00 178.00 178.52 1th3 n ASP 258 N -4.40 3.66 0.03 -2.05 8.00 -1.26 0.10 116.55 120.62 1th3 n ASP 258 Ca 0.17 -3.36 -0.10 0.00 0.71 0.00 0.00 54.79 52.20 1th3 n ASP 258 Cb 0.74 -0.79 -0.07 0.00 -0.02 0.00 0.00 41.12 40.99 1th3 n ASP 258 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1th3 h TYR 259 N 0.85 -1.04 -0.30 1.24 3.20 -1.09 -0.66 116.97 119.17 1th3 h TYR 259 Ca 0.54 0.03 0.09 0.00 3.14 0.00 0.00 58.73 62.53 1th3 h TYR 259 Cb 2.57 0.45 -0.01 0.00 1.54 0.00 0.00 36.73 41.29 1th3 h TYR 259 CO 1.35 -0.38 0.32 0.78 -1.64 0.00 0.00 178.16 178.59 1th3 h GLY 260 N -0.44 0.00 0.64 1.82 0.00 -1.84 -2.27 103.07 100.98 1th3 h GLY 260 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 1th3 h GLY 260 CO -0.24 0.00 -0.31 -2.00 0.00 0.00 0.00 176.54 173.99 1th3 h LEU 261 N 0.00 -0.73 -1.07 3.11 5.85 -1.48 -3.25 115.31 117.74 1th3 h LEU 261 Ca 0.14 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 1th3 h LEU 261 Cb 0.77 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1th3 h LEU 261 CO -0.00 -0.37 -0.32 0.08 -0.34 0.00 0.00 178.44 177.49 1th3 h ARG 262 N -1.17 0.00 -1.01 1.25 0.11 -1.24 -2.91 114.38 109.41 1th3 h ARG 262 Ca -0.09 0.00 0.12 0.00 0.10 0.00 0.00 59.98 60.12 1th3 h ARG 262 Cb 0.66 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 31.66 1th3 h ARG 262 CO 0.15 0.32 0.63 0.22 0.10 0.00 0.00 179.97 181.39 1th3 h ASP 263 N 0.00 0.92 0.17 0.08 3.58 -1.49 0.16 116.42 119.84 1th3 h ASP 263 Ca -0.00 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 1th3 h ASP 263 Cb 0.81 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.72 1th3 h ASP 263 CO 0.04 0.48 -0.08 0.25 -2.88 0.00 0.00 179.24 177.05 1th3 h LEU 264 N 0.99 -0.20 0.27 2.28 5.85 -1.55 -2.15 115.31 120.79 1th3 h LEU 264 Ca 0.50 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 1th3 h LEU 264 Cb 0.51 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1th3 h LEU 264 CO -0.27 0.25 -0.44 0.15 -0.34 0.00 0.00 178.44 177.79 1th3 h PHE 265 N -0.70 -1.26 -0.71 1.25 3.57 -1.17 -1.83 116.94 116.09 1th3 h PHE 265 Ca -0.02 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.62 1th3 h PHE 265 Cb 0.50 0.51 -0.08 0.00 2.79 0.00 0.00 35.95 39.67 1th3 h PHE 265 CO 0.06 -0.54 0.30 -0.91 -2.23 0.00 0.00 178.31 174.99 1th3 h ASN 266 N -0.75 0.32 -0.17 0.41 2.35 -0.85 0.15 115.58 117.04 1th3 h ASN 266 Ca -0.03 0.09 0.03 0.00 -0.55 0.00 0.00 56.30 55.83 1th3 h ASN 266 Cb 0.70 0.05 -0.05 0.00 0.05 0.00 0.00 38.32 39.07 1th3 h ASN 266 CO -0.15 0.15 -0.37 0.00 -1.65 0.00 0.00 177.43 175.42 1th3 h ALA 267 N 1.49 -0.69 -0.14 -0.83 0.00 -0.89 0.76 119.26 118.97 1th3 h ALA 267 Ca 0.37 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.28 1th3 h ALA 267 Cb 0.50 0.92 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1th3 h ALA 267 CO -0.35 -0.84 0.09 0.82 0.00 0.00 0.00 179.25 178.97 1th3 h ILE 268 N -0.34 0.98 0.05 0.00 2.04 -0.71 -0.31 117.51 119.22 1th3 h ILE 268 Ca 0.03 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1th3 h ILE 268 Cb 0.43 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1th3 h ILE 268 CO -0.34 0.02 -0.02 0.00 0.00 0.00 0.00 178.15 177.81 1th3 h ALA 269 N 1.92 -0.06 0.00 1.87 0.00 0.95 -3.00 119.26 120.94 1th3 h ALA 269 Ca 0.06 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1th3 h ALA 269 Cb 0.12 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1th3 h ALA 269 CO -0.01 -0.23 0.00 0.25 0.00 0.00 0.00 179.25 179.26 1th3 n THR 270 N -4.84 0.16 -0.81 0.00 -2.24 0.25 -4.75 114.28 102.05 1th3 n THR 270 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1th3 n THR 270 Cb 0.29 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 1th3 n THR 270 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1th3 n GLY 271 N 0.39 0.06 2.51 3.38 0.00 -1.13 -4.88 105.19 105.51 1th3 n GLY 271 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1th3 n GLY 271 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1th3 n ASN 272 N -0.54 7.87 -4.62 1.61 4.05 -0.15 -4.97 115.26 118.50 1th3 n ASN 272 Ca 0.00 -3.25 -0.47 0.00 0.45 0.00 0.00 54.58 51.31 1th3 n ASN 272 Cb 0.27 -1.32 -0.03 0.00 1.23 0.00 0.00 39.78 39.93 1th3 n ASN 272 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1th3 n TYR 273 N 1.33 1.71 -1.53 1.20 4.01 -1.26 -4.38 117.16 118.24 1th3 n TYR 273 Ca 0.59 0.56 -0.30 0.00 -0.16 0.00 0.00 57.90 58.59 1th3 n TYR 273 Cb 0.26 -2.36 0.07 0.00 -0.31 0.00 0.00 39.34 37.00 1th3 n TYR 273 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 1th3 s PRO 274 N -0.41 2.44 -0.06 -0.72 0.02 -1.24 -4.92 135.00 130.11 1th3 s PRO 274 Ca 0.70 0.82 -0.30 0.00 0.02 0.00 0.00 61.00 62.25 1th3 s PRO 274 Cb -0.75 -1.94 0.07 0.00 0.02 0.00 0.00 34.50 31.89 1th3 s PRO 274 CO 0.51 -1.41 0.67 0.45 -0.33 0.00 0.00 177.00 176.89 1th3 s SER 275 N -3.80 -0.65 0.01 2.53 0.15 -1.26 -2.89 113.70 107.79 1th3 s SER 275 Ca 0.60 0.75 0.01 0.00 0.70 0.00 0.00 55.95 58.00 1th3 s SER 275 Cb -0.15 0.60 -0.01 0.00 -1.71 0.00 0.00 66.02 64.75 1th3 s SER 275 CO 0.55 -0.58 -0.03 0.26 1.20 0.00 0.00 173.24 174.63 1th3 s TRP 276 N -1.09 0.29 -0.35 3.44 0.51 -0.58 -0.51 118.94 120.66 1th3 s TRP 276 Ca -0.10 -0.27 -0.14 0.00 -2.12 0.00 0.00 56.10 53.47 1th3 s TRP 276 Cb -0.00 -0.19 -0.01 0.00 -0.81 0.00 0.00 33.47 32.45 1th3 s TRP 276 CO 0.09 -0.07 0.31 -0.08 -0.51 0.00 0.00 176.95 176.69 1th3 s THR 277 N -0.71 5.22 -0.21 2.01 -1.32 0.31 -0.51 115.64 120.43 1th3 s THR 277 Ca -0.06 -0.10 -0.29 0.00 -1.21 0.00 0.00 61.69 60.03 1th3 s THR 277 Cb -0.05 -3.78 0.00 0.00 -1.51 0.00 0.00 72.50 67.16 1th3 s THR 277 CO -0.00 -0.07 1.01 -0.22 -2.21 0.00 0.00 174.62 173.13 1th3 s LEU 278 N 1.88 4.13 0.48 9.08 2.96 0.25 -1.64 118.68 135.82 1th3 s LEU 278 Ca 0.09 1.38 0.03 0.00 -0.22 0.00 0.00 54.13 55.41 1th3 s LEU 278 Cb -0.17 -3.51 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 1th3 s LEU 278 CO 0.11 -0.61 0.02 -0.31 -1.32 0.00 0.00 176.35 174.24 1th3 s TYR 279 N 2.92 2.00 -0.24 5.38 2.02 0.51 -0.73 117.35 129.20 1th3 s TYR 279 Ca 0.44 -0.92 -0.22 0.00 -0.37 0.00 0.00 57.07 56.00 1th3 s TYR 279 Cb -0.16 -1.60 0.06 0.00 -0.40 0.00 0.00 41.96 39.86 1th3 s TYR 279 CO 0.09 0.23 0.64 0.96 -1.57 0.00 0.00 175.55 175.90 1th3 s ILE 280 N -2.88 -0.00 0.63 2.71 -4.36 -0.89 -1.27 121.20 115.14 1th3 s ILE 280 Ca 0.14 0.00 -0.00 0.00 -0.26 0.00 0.00 60.65 60.53 1th3 s ILE 280 Cb 0.04 -0.90 0.07 0.00 1.25 0.00 0.00 42.46 42.92 1th3 s ILE 280 CO 0.07 0.00 0.88 -1.10 0.24 0.00 0.00 174.94 175.03 1th3 s GLN 281 N 0.47 2.20 -0.08 0.37 -0.21 0.70 -1.67 119.66 121.43 1th3 s GLN 281 Ca -0.01 -0.84 -0.08 0.00 0.02 0.00 0.00 55.36 54.45 1th3 s GLN 281 Cb -0.05 -2.40 0.02 0.00 1.00 0.00 0.00 33.01 31.59 1th3 s GLN 281 CO -0.01 -1.03 0.22 0.08 -2.12 0.00 0.00 175.29 172.43 1th3 s VAL 282 N -2.95 -0.00 -0.09 1.09 1.01 -1.26 -3.19 120.40 115.01 1th3 s VAL 282 Ca 0.61 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 62.55 1th3 s VAL 282 Cb -0.09 -0.31 0.05 0.00 0.00 0.00 0.00 36.38 36.03 1th3 s VAL 282 CO 0.41 0.00 0.18 -0.32 0.00 0.00 0.00 175.10 175.37 1th3 s MET 283 N 0.14 0.06 0.79 2.72 0.00 0.69 -4.89 119.30 118.80 1th3 s MET 283 Ca -0.00 0.57 -0.11 0.00 0.00 0.00 0.00 55.69 56.14 1th3 s MET 283 Cb -0.02 -0.23 0.06 0.00 0.00 0.00 0.00 34.83 34.65 1th3 s MET 283 CO 0.00 -0.28 1.09 0.95 0.00 0.00 0.00 175.02 176.78 1th3 s THR 284 N 2.16 3.14 0.38 10.11 -4.23 -1.26 -0.43 115.64 125.51 1th3 s THR 284 Ca 0.01 0.37 0.23 0.00 -1.18 0.00 0.00 61.69 61.13 1th3 s THR 284 Cb -0.12 -3.11 0.24 0.00 1.34 0.00 0.00 72.50 70.85 1th3 s THR 284 CO -0.06 -0.49 1.99 -0.26 -0.54 0.00 0.00 174.62 175.26 1th3 h PHE 285 N -1.06 0.00 0.68 3.99 -1.00 -1.97 0.64 116.94 118.22 1th3 h PHE 285 Ca -0.47 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.28 1th3 h PHE 285 Cb 1.26 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.83 1th3 h PHE 285 CO 0.48 0.18 -0.33 0.77 -1.61 0.00 0.00 178.31 177.80 1th3 h SER 286 N 0.00 -0.78 -0.86 2.17 0.02 -1.99 -2.69 113.55 109.43 1th3 h SER 286 Ca -0.00 0.03 0.08 0.00 -0.84 0.00 0.00 61.79 61.05 1th3 h SER 286 Cb 0.44 0.20 -0.07 0.00 0.14 0.00 0.00 62.40 63.11 1th3 h SER 286 CO 0.02 -0.46 0.52 -0.33 -1.14 0.00 0.00 176.83 175.44 1th3 h GLU 287 N -1.11 0.88 -0.86 3.45 5.08 -1.86 -1.75 114.58 118.42 1th3 h GLU 287 Ca -0.09 -0.05 0.17 0.00 -1.00 0.00 0.00 59.36 58.38 1th3 h GLU 287 Cb 0.70 -0.20 -0.06 0.00 0.50 0.00 0.00 28.75 29.69 1th3 h GLU 287 CO 0.15 0.58 0.56 0.00 -1.00 0.00 0.00 179.01 179.31 1th3 h ALA 288 N 1.44 2.06 0.00 3.43 0.00 -0.83 1.08 119.26 126.44 1th3 h ALA 288 Ca 0.39 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1th3 h ALA 288 Cb 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1th3 h ALA 288 CO -0.21 -0.31 0.00 0.39 0.00 0.00 0.00 179.25 179.12 1th3 n GLU 289 N -4.52 0.19 -0.09 0.00 1.02 -0.67 -3.57 120.64 112.99 1th3 n GLU 289 Ca 0.17 0.28 -0.10 0.00 -0.02 0.00 0.00 57.16 57.49 1th3 n GLU 289 Cb 0.58 -1.78 -0.16 0.00 -0.02 0.00 0.00 31.44 30.07 1th3 n GLU 289 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1th3 n ILE 290 N -2.12 1.41 -1.17 -3.67 0.00 0.35 -5.01 119.36 109.16 1th3 n ILE 290 Ca 0.04 -0.85 -0.44 0.00 0.00 0.00 0.00 62.75 61.50 1th3 n ILE 290 Cb 0.32 -0.54 -0.05 0.00 0.00 0.00 0.00 39.64 39.38 1th3 n ILE 290 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 176.55 176.88 1th3 n PHE 291 N -2.79 0.25 0.00 9.51 7.35 -0.02 -4.73 117.46 127.04 1th3 n PHE 291 Ca -0.32 0.82 0.00 0.00 -0.76 0.00 0.00 57.45 57.19 1th3 n PHE 291 Cb 1.15 -1.63 0.00 0.00 0.35 0.00 0.00 39.48 39.34 1th3 n PHE 291 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1th3 n PRO 292 N 1.08 0.00 -0.44 -7.13 -0.04 -1.26 -4.66 135.00 122.55 1th3 n PRO 292 Ca 0.15 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 1th3 n PRO 292 Cb 0.10 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 1th3 n PRO 292 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1th3 n PHE 293 N -1.36 0.00 -3.13 0.54 3.72 -1.26 -5.11 117.46 110.85 1th3 n PHE 293 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 1th3 n PHE 293 Cb 0.00 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.47 1th3 n PHE 293 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1th3 s ASN 294 N 0.56 6.41 0.00 4.37 3.84 -1.26 -4.91 114.94 123.95 1th3 s ASN 294 Ca 0.00 0.13 0.07 0.00 0.21 0.00 0.00 52.86 53.27 1th3 s ASN 294 Cb 0.00 -2.32 0.30 0.00 -0.55 0.00 0.00 41.25 38.68 1th3 s ASN 294 CO 0.00 -0.57 1.19 -2.65 -2.79 0.00 0.00 177.10 172.28 1th3 n PRO 295 N 5.99 0.02 -0.05 0.43 -0.02 -1.26 -1.59 135.00 138.52 1th3 n PRO 295 Ca -0.02 0.35 0.07 0.00 -2.02 0.00 0.00 63.50 61.89 1th3 n PRO 295 Cb 0.49 -1.50 0.09 0.00 -0.02 0.00 0.00 33.50 32.56 1th3 n PRO 295 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1th3 n PHE 296 N -1.46 0.14 -2.27 6.00 3.72 -1.26 -4.70 117.46 117.63 1th3 n PHE 296 Ca 0.02 -0.11 -0.43 0.00 -0.05 0.00 0.00 57.45 56.88 1th3 n PHE 296 Cb 0.07 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.59 1th3 n PHE 296 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1th3 s ASP 297 N -1.19 6.82 0.50 4.37 -1.08 -0.62 -4.54 116.67 120.94 1th3 s ASP 297 Ca 0.20 1.86 0.33 0.00 -0.52 0.00 0.00 52.55 54.42 1th3 s ASP 297 Cb 0.13 -2.54 1.47 0.00 -1.46 0.00 0.00 42.92 40.53 1th3 s ASP 297 CO 0.19 -0.84 1.98 0.25 0.52 0.00 0.00 175.17 177.27 1th3 h LEU 298 N 10.00 0.00 -2.32 -1.34 5.85 -1.88 -2.49 115.31 123.12 1th3 h LEU 298 Ca -0.31 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1th3 h LEU 298 Cb 1.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1th3 h LEU 298 CO 0.97 0.00 0.00 0.35 -0.34 0.00 0.00 178.44 179.42 1th3 n THR 299 N -2.88 1.43 -4.39 1.05 -2.24 -1.26 -2.56 114.28 103.43 1th3 n THR 299 Ca 0.00 -0.73 -0.19 0.00 -2.27 0.00 0.00 64.05 60.86 1th3 n THR 299 Cb 0.24 -0.36 -0.10 0.00 -2.10 0.00 0.00 70.33 68.00 1th3 n THR 299 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1th3 s LYS 300 N -1.92 1.56 0.18 -0.78 -0.14 -0.94 -4.89 119.74 112.80 1th3 s LYS 300 Ca 0.29 -1.86 0.00 0.00 -1.36 0.00 0.00 55.97 53.04 1th3 s LYS 300 Cb 0.22 -0.57 -0.04 0.00 -1.68 0.00 0.00 37.83 35.75 1th3 s LYS 300 CO 0.09 -0.25 0.06 0.14 -0.76 0.00 0.00 175.35 174.62 1th3 s VAL 301 N -3.50 0.35 -0.41 3.17 -7.23 -1.26 -4.73 120.40 106.78 1th3 s VAL 301 Ca 0.37 -1.96 -0.11 0.00 -1.81 0.00 0.00 61.98 58.46 1th3 s VAL 301 Cb 0.08 -2.23 0.06 0.00 0.56 0.00 0.00 36.38 34.84 1th3 s VAL 301 CO 0.15 -0.33 0.26 0.26 -0.31 0.00 0.00 175.10 175.14 1th3 s TRP 302 N -3.89 3.28 0.06 2.82 0.51 -1.26 -5.04 118.94 115.43 1th3 s TRP 302 Ca 0.28 -1.18 -0.37 0.00 -2.12 0.00 0.00 56.10 52.71 1th3 s TRP 302 Cb 0.07 -2.78 -0.16 0.00 -0.81 0.00 0.00 33.47 29.78 1th3 s TRP 302 CO 0.06 -0.76 1.40 -2.30 -0.51 0.00 0.00 176.95 174.84 1th3 n PRO 303 N 5.01 1.26 0.08 4.98 -0.02 -1.26 -4.76 135.00 140.29 1th3 n PRO 303 Ca -0.11 0.46 0.18 0.00 -2.02 0.00 0.00 63.50 62.00 1th3 n PRO 303 Cb 0.44 -2.12 0.71 0.00 -0.02 0.00 0.00 33.50 32.52 1th3 n PRO 303 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1th3 h HIS 304 N 4.94 0.00 -0.58 6.00 3.86 -1.97 -0.62 115.15 126.78 1th3 h HIS 304 Ca -0.47 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 58.64 1th3 h HIS 304 Cb 1.33 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.77 1th3 h HIS 304 CO 0.62 0.00 -0.00 0.78 0.86 0.00 0.00 177.93 180.18 1th3 h GLY 305 N 0.00 1.11 1.27 2.45 0.00 -2.00 -2.04 103.07 103.87 1th3 h GLY 305 Ca 0.18 -0.82 -0.19 0.00 0.00 0.00 0.00 47.33 46.50 1th3 h GLY 305 CO -0.00 0.75 -1.29 -0.55 0.00 0.00 0.00 176.54 175.46 1th3 h ASP 306 N 0.92 0.00 -2.50 0.19 3.32 -1.76 -3.41 116.42 113.18 1th3 h ASP 306 Ca 0.16 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.62 1th3 h ASP 306 Cb 0.56 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.72 1th3 h ASP 306 CO 0.03 0.72 -0.90 -0.31 -1.72 0.00 0.00 179.24 177.05 1th3 s TYR 307 N -2.83 1.54 0.57 4.55 2.02 -0.30 -5.06 117.35 117.85 1th3 s TYR 307 Ca -0.02 -2.51 -0.20 0.00 -0.37 0.00 0.00 57.07 53.97 1th3 s TYR 307 Cb 0.08 -1.25 -0.04 0.00 -0.40 0.00 0.00 41.96 40.36 1th3 s TYR 307 CO 0.80 -0.78 1.24 -1.25 -1.57 0.00 0.00 175.55 174.00 1th3 s PRO 308 N -0.22 3.10 -0.00 -1.71 0.04 -0.77 -4.39 135.00 131.05 1th3 s PRO 308 Ca 0.31 1.94 -0.30 0.00 0.04 0.00 0.00 61.00 62.99 1th3 s PRO 308 Cb 0.02 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1th3 s PRO 308 CO -0.19 -1.13 1.13 -0.51 0.04 0.00 0.00 177.00 176.33 1th3 s LEU 309 N -3.80 4.33 -0.24 -3.56 1.43 -1.26 -4.55 118.68 111.03 1th3 s LEU 309 Ca 0.74 1.83 -0.10 0.00 -1.03 0.00 0.00 54.13 55.57 1th3 s LEU 309 Cb -0.33 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.27 1th3 s LEU 309 CO 0.37 -0.45 0.14 -0.63 0.23 0.00 0.00 176.35 176.02 1th3 s ILE 310 N 1.45 5.11 0.51 -0.59 1.09 -0.67 -4.85 121.20 123.25 1th3 s ILE 310 Ca 0.55 0.10 -0.21 0.00 -1.10 0.00 0.00 60.65 59.99 1th3 s ILE 310 Cb -0.25 -3.39 -0.07 0.00 -1.06 0.00 0.00 42.46 37.69 1th3 s ILE 310 CO 0.26 0.33 1.13 -2.84 -0.10 0.00 0.00 174.94 173.72 1th3 s PRO 311 N 1.25 3.53 0.00 2.79 0.02 -1.26 -2.09 135.00 139.24 1th3 s PRO 311 Ca 0.07 1.64 0.00 0.00 0.02 0.00 0.00 61.00 62.72 1th3 s PRO 311 Cb -0.14 -2.15 0.00 0.00 0.02 0.00 0.00 34.50 32.23 1th3 s PRO 311 CO 0.06 -0.71 0.00 1.55 -0.33 0.00 0.00 177.00 177.57 1th3 n VAL 312 N -1.00 0.00 -3.89 3.83 3.14 0.09 -4.59 118.33 115.92 1th3 n VAL 312 Ca 0.10 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.44 1th3 n VAL 312 Cb 0.50 -0.09 0.02 0.00 -1.06 0.00 0.00 33.84 33.21 1th3 n VAL 312 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1th3 s GLY 313 N -3.03 0.19 -0.17 7.55 0.00 -1.10 -0.94 107.32 109.81 1th3 s GLY 313 Ca 0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 44.72 44.25 1th3 s GLY 313 CO 0.00 2.30 -0.09 0.54 0.00 0.00 0.00 173.10 175.85 1th3 s LYS 314 N -2.09 3.40 -0.49 2.90 -0.14 0.14 -0.58 119.74 122.88 1th3 s LYS 314 Ca 0.22 -0.65 -0.14 0.00 -1.36 0.00 0.00 55.97 54.04 1th3 s LYS 314 Cb -0.03 -2.82 0.10 0.00 -1.68 0.00 0.00 37.83 33.40 1th3 s LYS 314 CO 0.06 0.03 0.41 -0.51 -0.76 0.00 0.00 175.35 174.58 1th3 s LEU 315 N 0.85 5.76 -0.12 3.17 1.43 0.33 -1.64 118.68 128.46 1th3 s LEU 315 Ca -0.03 -1.58 -0.01 0.00 -1.03 0.00 0.00 54.13 51.49 1th3 s LEU 315 Cb -0.15 -2.15 -0.02 0.00 0.03 0.00 0.00 46.19 43.90 1th3 s LEU 315 CO 0.01 -0.71 -0.09 -0.69 0.23 0.00 0.00 176.35 175.10 1th3 s VAL 316 N 1.57 3.49 -0.16 -1.59 1.01 0.82 -1.53 120.40 124.01 1th3 s VAL 316 Ca 0.04 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.49 1th3 s VAL 316 Cb -0.26 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 1th3 s VAL 316 CO 0.04 0.53 -0.11 -0.76 0.00 0.00 0.00 175.10 174.80 1th3 s LEU 317 N 0.07 2.75 0.00 3.92 1.43 -1.14 0.13 118.68 125.83 1th3 s LEU 317 Ca -0.03 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1th3 s LEU 317 Cb -0.14 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.43 1th3 s LEU 317 CO 0.04 0.10 0.16 -0.46 0.23 0.00 0.00 176.35 176.42 1th3 n ASN 318 N 3.97 0.16 -3.91 2.29 0.23 -0.49 -3.59 115.26 113.92 1th3 n ASN 318 Ca -0.18 -1.03 -0.15 0.00 -0.53 0.00 0.00 54.58 52.69 1th3 n ASN 318 Cb 0.52 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 38.07 1th3 n ASN 318 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1th3 s ARG 319 N -0.03 0.28 0.18 -3.83 1.70 -0.77 -4.97 118.95 111.53 1th3 s ARG 319 Ca 0.00 -0.10 0.01 0.00 -0.47 0.00 0.00 55.73 55.17 1th3 s ARG 319 Cb 0.00 -0.30 -0.04 0.00 -0.57 0.00 0.00 34.95 34.04 1th3 s ARG 319 CO 0.00 0.05 0.35 -0.80 -1.08 0.00 0.00 175.30 173.82 1th3 s ASN 320 N 0.06 6.36 0.36 -2.89 0.01 -1.26 -1.24 114.94 116.34 1th3 s ASN 320 Ca -0.00 0.30 -0.27 0.00 -0.71 0.00 0.00 52.86 52.18 1th3 s ASN 320 Cb -0.03 -1.97 -0.12 0.00 0.41 0.00 0.00 41.25 39.55 1th3 s ASN 320 CO -0.00 -0.01 1.25 -0.81 -1.51 0.00 0.00 177.10 176.02 1th3 n PRO 321 N -0.63 1.99 0.09 -0.60 -0.04 -1.26 -4.89 135.00 129.65 1th3 n PRO 321 Ca -0.06 0.70 -0.20 0.00 -0.04 0.00 0.00 63.50 63.90 1th3 n PRO 321 Cb 0.54 -2.29 -0.15 0.00 -0.04 0.00 0.00 33.50 31.56 1th3 n PRO 321 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1th3 h VAL 322 N 2.34 1.14 -3.24 0.52 2.07 -1.98 -3.42 116.25 113.68 1th3 h VAL 322 Ca -0.46 -2.71 -0.56 0.00 0.82 0.00 0.00 66.70 63.78 1th3 h VAL 322 Cb 1.29 2.83 -0.40 0.00 -1.52 0.00 0.00 31.29 33.49 1th3 h VAL 322 CO 0.61 0.84 -0.76 0.21 0.02 0.00 0.00 177.57 178.49 1th3 s ASN 323 N -7.21 3.66 0.16 0.57 3.84 -1.26 -5.06 114.94 109.64 1th3 s ASN 323 Ca -0.11 -1.33 -0.29 0.00 0.21 0.00 0.00 52.86 51.34 1th3 s ASN 323 Cb 0.06 -0.81 -0.03 0.00 -0.55 0.00 0.00 41.25 39.92 1th3 s ASN 323 CO 0.87 -0.36 1.55 0.22 -2.79 0.00 0.00 177.10 176.60 1th3 h TYR 324 N 8.13 -1.58 0.00 0.43 3.20 -1.97 -2.20 116.97 122.97 1th3 h TYR 324 Ca -0.15 0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.81 1th3 h TYR 324 Cb 1.05 0.77 0.00 0.00 1.54 0.00 0.00 36.73 40.10 1th3 h TYR 324 CO 0.35 -0.44 0.00 0.34 -1.64 0.00 0.00 178.16 176.77 1th3 n PHE 325 N -5.36 0.00 -0.30 -3.82 7.35 -1.26 0.97 117.46 115.04 1th3 n PHE 325 Ca 0.00 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.74 1th3 n PHE 325 Cb 0.33 -0.32 0.14 0.00 0.35 0.00 0.00 39.48 39.98 1th3 n PHE 325 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1th3 h ALA 326 N -1.58 0.67 0.00 3.13 0.00 -1.95 -1.11 119.26 118.41 1th3 h ALA 326 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1th3 h ALA 326 Cb 0.00 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1th3 h ALA 326 CO 0.00 -0.42 -1.12 0.39 0.00 0.00 0.00 179.25 178.09 1th3 n GLU 327 N -5.51 0.48 0.04 0.00 1.02 -0.84 -4.35 120.64 111.49 1th3 n GLU 327 Ca 0.14 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 1th3 n GLU 327 Cb 0.47 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 1th3 n GLU 327 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1th3 n VAL 328 N -2.33 0.68 -0.23 2.62 0.31 0.27 -4.44 118.33 115.21 1th3 n VAL 328 Ca 0.00 0.22 0.07 0.00 -0.01 0.00 0.00 64.34 64.62 1th3 n VAL 328 Cb 0.51 -1.44 0.33 0.00 -0.91 0.00 0.00 33.84 32.33 1th3 n VAL 328 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1th3 h GLU 329 N 0.00 0.78 -0.00 5.55 4.57 -1.04 -1.59 114.58 122.85 1th3 h GLU 329 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1th3 h GLU 329 Cb 0.34 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1th3 h GLU 329 CO 0.00 0.52 -0.10 1.04 -1.18 0.00 0.00 179.01 179.29 1th3 n GLN 330 N -4.49 0.26 -1.57 1.92 6.02 -0.48 -4.94 117.38 114.09 1th3 n GLN 330 Ca 0.12 -0.05 -0.37 0.00 -0.01 0.00 0.00 57.00 56.69 1th3 n GLN 330 Cb 0.26 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 30.09 1th3 n GLN 330 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1th3 n LEU 331 N -1.32 3.76 -3.81 1.08 4.77 -0.60 -4.90 117.00 115.98 1th3 n LEU 331 Ca 0.10 0.77 -0.24 0.00 -0.03 0.00 0.00 56.01 56.61 1th3 n LEU 331 Cb 0.30 -1.40 -0.17 0.00 -2.33 0.00 0.00 43.42 39.82 1th3 n LEU 331 CO 0.26 -1.90 -0.40 0.00 -1.33 0.00 0.00 177.39 174.03 1th3 s ALA 332 N -1.57 0.84 -0.23 -1.18 0.00 -1.26 -5.06 121.76 113.30 1th3 s ALA 332 Ca 0.76 -0.22 -0.03 0.00 0.00 0.00 0.00 51.96 52.47 1th3 s ALA 332 Cb -0.40 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 21.96 1th3 s ALA 332 CO 0.47 -0.43 -0.05 -0.06 0.00 0.00 0.00 175.76 175.69 1th3 s PHE 333 N 1.86 2.97 -0.31 0.00 0.08 -1.26 -4.96 117.98 116.36 1th3 s PHE 333 Ca 0.04 -1.09 0.03 0.00 0.12 0.00 0.00 56.93 56.03 1th3 s PHE 333 Cb -0.12 -2.09 0.09 0.00 -0.57 0.00 0.00 43.02 40.32 1th3 s PHE 333 CO -0.06 -0.60 0.00 -0.51 -0.10 0.00 0.00 175.22 173.96 1th3 s ASP 334 N 1.44 4.62 0.58 1.36 1.01 -1.26 -4.84 116.67 119.57 1th3 s ASP 334 Ca 0.05 -1.90 0.36 0.00 0.71 0.00 0.00 52.55 51.78 1th3 s ASP 334 Cb -0.15 -1.56 1.39 0.00 1.01 0.00 0.00 42.92 43.61 1th3 s ASP 334 CO -0.04 -0.32 1.59 -0.65 0.21 0.00 0.00 175.17 175.95 1th3 h PRO 335 N 7.68 0.00 0.00 8.23 0.11 -1.83 1.54 132.00 147.74 1th3 h PRO 335 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1th3 h PRO 335 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1th3 h PRO 335 CO 0.50 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.72 1th3 n SER 336 N -3.73 0.52 -4.58 -2.05 7.64 -1.26 -4.41 113.62 105.76 1th3 n SER 336 Ca 0.28 0.62 -0.41 0.00 1.01 0.00 0.00 58.87 60.37 1th3 n SER 336 Cb 1.48 -0.73 -0.01 0.00 -1.01 0.00 0.00 64.21 63.94 1th3 n SER 336 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1th3 s ASN 337 N -3.98 6.57 -0.08 6.43 0.02 0.53 -4.92 114.94 119.51 1th3 s ASN 337 Ca 0.06 -2.22 0.01 0.00 -1.02 0.00 0.00 52.86 49.69 1th3 s ASN 337 Cb 0.10 -2.58 0.02 0.00 0.02 0.00 0.00 41.25 38.81 1th3 s ASN 337 CO 0.39 -1.45 -0.11 -0.04 0.02 0.00 0.00 177.10 175.92 1th3 s MET 338 N 4.61 1.64 0.72 -0.60 -1.94 -1.26 -1.40 119.30 121.07 1th3 s MET 338 Ca 0.55 -0.36 -0.08 0.00 -1.71 0.00 0.00 55.69 54.09 1th3 s MET 338 Cb 0.03 -1.47 0.06 0.00 2.01 0.00 0.00 34.83 35.46 1th3 s MET 338 CO 0.06 -0.08 1.05 -1.25 -0.01 0.00 0.00 175.02 174.80 1th3 s PRO 339 N 1.02 2.23 -0.31 2.03 0.04 -1.26 -4.90 135.00 133.85 1th3 s PRO 339 Ca -0.08 -0.11 -0.35 0.00 0.04 0.00 0.00 61.00 60.50 1th3 s PRO 339 Cb -0.15 -2.12 -0.12 0.00 0.04 0.00 0.00 34.50 32.16 1th3 s PRO 339 CO -0.01 -1.28 2.12 -2.30 0.04 0.00 0.00 177.00 175.57 1th3 n PRO 340 N -3.00 1.22 0.00 0.56 -0.02 -1.26 -1.92 135.00 130.58 1th3 n PRO 340 Ca 0.08 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1th3 n PRO 340 Cb 0.60 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1th3 n PRO 340 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1th3 n GLY 341 N 6.08 1.24 3.17 -1.23 0.00 -1.26 -3.72 105.19 109.47 1th3 n GLY 341 Ca 0.38 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.10 1th3 n GLY 341 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1th3 s ILE 342 N -0.37 1.73 0.09 -0.61 1.01 -0.81 -1.22 121.20 121.03 1th3 s ILE 342 Ca 0.00 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.75 1th3 s ILE 342 Cb 0.00 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 40.95 1th3 s ILE 342 CO 0.00 0.49 0.11 -1.61 0.00 0.00 0.00 174.94 173.92 1th3 s GLU 343 N 0.28 0.81 0.68 2.79 2.02 0.10 -4.48 118.70 120.90 1th3 s GLU 343 Ca -0.13 -1.13 -0.10 0.00 0.02 0.00 0.00 54.97 53.63 1th3 s GLU 343 Cb -0.16 0.29 0.02 0.00 0.10 0.00 0.00 34.13 34.38 1th3 s GLU 343 CO 0.06 -0.23 1.04 -1.25 0.02 0.00 0.00 175.26 174.90 1th3 s PRO 344 N -3.92 2.78 0.48 0.39 0.04 -1.26 0.17 135.00 133.68 1th3 s PRO 344 Ca 0.09 0.26 0.07 0.00 0.04 0.00 0.00 61.00 61.47 1th3 s PRO 344 Cb 0.06 -2.10 0.02 0.00 0.04 0.00 0.00 34.50 32.53 1th3 s PRO 344 CO -0.08 -0.99 0.48 -1.54 0.04 0.00 0.00 177.00 174.91 1th3 s SER 345 N -4.37 4.98 0.00 6.66 1.04 -1.20 -4.48 113.70 116.34 1th3 s SER 345 Ca 0.57 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1th3 s SER 345 Cb -0.11 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.89 1th3 s SER 345 CO 0.49 -0.93 0.47 -0.81 0.98 0.00 0.00 173.24 173.44 1th3 n PRO 346 N -1.77 0.58 -1.53 4.02 -0.04 -1.26 -4.65 135.00 130.35 1th3 n PRO 346 Ca 0.05 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.12 1th3 n PRO 346 Cb 0.62 -1.11 -0.06 0.00 -0.04 0.00 0.00 33.50 32.91 1th3 n PRO 346 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1th3 n ASP 347 N -0.23 1.91 -0.30 3.54 -0.08 -1.26 -4.78 116.55 115.36 1th3 n ASP 347 Ca 0.00 -0.23 0.33 0.00 -1.51 0.00 0.00 54.79 53.38 1th3 n ASP 347 Cb 0.05 -1.41 0.58 0.00 2.34 0.00 0.00 41.12 42.68 1th3 n ASP 347 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1th3 h LYS 348 N 17.03 0.00 0.06 -0.67 1.57 -1.84 0.29 116.57 133.01 1th3 h LYS 348 Ca -0.21 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.47 1th3 h LYS 348 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1th3 h LYS 348 CO 1.19 0.00 -0.47 0.52 -0.57 0.00 0.00 179.45 180.12 1th3 h MET 349 N 0.00 0.12 -0.10 3.15 2.86 -1.86 -3.07 114.93 116.02 1th3 h MET 349 Ca 0.56 -0.20 0.03 0.00 -2.06 0.00 0.00 59.70 58.03 1th3 h MET 349 Cb 2.87 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 34.57 1th3 h MET 349 CO -0.01 1.10 -0.12 1.25 1.06 0.00 0.00 176.91 180.19 1th3 h LEU 350 N -0.74 -0.37 -0.79 1.22 5.85 -0.85 -1.21 115.31 118.42 1th3 h LEU 350 Ca -0.10 0.07 0.14 0.00 0.84 0.00 0.00 57.88 58.84 1th3 h LEU 350 Cb 1.29 0.18 -0.14 0.00 0.37 0.00 0.00 40.66 42.36 1th3 h LEU 350 CO 0.04 -0.16 -0.30 1.56 -0.34 0.00 0.00 178.44 179.24 1th3 h GLN 351 N -0.15 -0.06 -0.44 1.25 1.08 -1.22 0.29 115.11 115.86 1th3 h GLN 351 Ca 0.08 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.29 1th3 h GLN 351 Cb 0.27 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 1th3 h GLN 351 CO -0.19 -0.04 0.29 0.78 -0.95 0.00 0.00 178.83 178.72 1th3 h GLY 352 N -0.06 0.62 2.00 3.46 0.00 -1.28 -1.69 103.07 106.12 1th3 h GLY 352 Ca 0.33 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.43 1th3 h GLY 352 CO -0.83 0.22 -0.01 3.21 0.00 0.00 0.00 176.54 179.13 1th3 h ARG 353 N 0.59 0.00 -0.15 4.80 3.08 0.63 0.16 114.38 123.49 1th3 h ARG 353 Ca 0.16 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.25 1th3 h ARG 353 Cb -0.06 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1th3 h ARG 353 CO -0.04 0.01 0.14 -0.07 -1.07 0.00 0.00 179.97 178.94 1th3 h LEU 354 N 0.00 0.00 0.00 3.04 3.38 0.11 -3.23 115.31 118.62 1th3 h LEU 354 Ca -0.00 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.55 1th3 h LEU 354 Cb 0.03 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 1th3 h LEU 354 CO 0.00 0.00 -2.29 0.33 0.09 0.00 0.00 178.44 176.57 1th3 n PHE 355 N -4.05 0.22 -0.29 1.13 7.35 0.50 -4.67 117.46 117.64 1th3 n PHE 355 Ca 0.01 0.09 -0.02 0.00 -0.76 0.00 0.00 57.45 56.77 1th3 n PHE 355 Cb 0.26 -1.02 0.11 0.00 0.35 0.00 0.00 39.48 39.17 1th3 n PHE 355 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1th3 h ALA 356 N -0.83 1.07 0.52 3.13 0.00 -1.46 -2.69 119.26 119.00 1th3 h ALA 356 Ca -0.63 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.23 1th3 h ALA 356 Cb 1.58 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 19.12 1th3 h ALA 356 CO -0.36 0.30 -0.25 1.88 0.00 0.00 0.00 179.25 180.83 1th3 h TYR 357 N 0.98 -0.64 -0.53 0.00 -1.99 -1.84 -0.12 116.97 112.83 1th3 h TYR 357 Ca 0.33 -0.02 -0.00 0.00 2.00 0.00 0.00 58.73 61.04 1th3 h TYR 357 Cb 0.05 0.21 -0.03 0.00 2.00 0.00 0.00 36.73 38.97 1th3 h TYR 357 CO -0.03 -0.32 0.32 -1.35 -0.00 0.00 0.00 178.16 176.78 1th3 h PRO 358 N -0.91 0.70 0.10 4.88 0.11 -1.84 -1.07 132.00 133.98 1th3 h PRO 358 Ca -0.07 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.98 1th3 h PRO 358 Cb 0.61 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 1th3 h PRO 358 CO 0.12 0.49 -0.11 0.22 -0.21 0.00 0.00 178.00 178.51 1th3 h ASP 359 N 0.72 -0.29 -0.89 -2.05 3.58 -1.29 -1.62 116.42 114.58 1th3 h ASP 359 Ca 0.19 0.02 0.19 0.00 0.42 0.00 0.00 57.03 57.85 1th3 h ASP 359 Cb -0.04 0.10 -0.07 0.00 1.72 0.00 0.00 39.33 41.04 1th3 h ASP 359 CO -0.04 -0.14 0.58 0.74 -2.88 0.00 0.00 179.24 177.51 1th3 h THR 360 N -0.21 0.71 -0.58 2.25 2.02 -0.88 -0.89 112.91 115.34 1th3 h THR 360 Ca -0.01 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 1th3 h THR 360 Cb 0.18 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 66.77 1th3 h THR 360 CO -0.01 0.08 0.25 0.45 0.37 0.00 0.00 175.52 176.66 1th3 h HIS 361 N 0.46 0.85 -0.14 3.16 3.86 -0.96 0.60 115.15 122.99 1th3 h HIS 361 Ca 0.46 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.62 1th3 h HIS 361 Cb 1.06 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 29.27 1th3 h HIS 361 CO -0.00 0.67 0.09 0.00 0.86 0.00 0.00 177.93 179.55 1th3 h ARG 362 N 0.79 0.19 0.06 2.45 3.08 -0.17 0.25 114.38 121.03 1th3 h ARG 362 Ca 0.20 -0.01 -0.18 0.00 0.07 0.00 0.00 59.98 60.05 1th3 h ARG 362 Cb 0.16 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1th3 h ARG 362 CO -0.02 0.13 -0.95 1.25 -1.07 0.00 0.00 179.97 179.31 1th3 h HIS 363 N 0.19 0.23 -0.22 3.04 6.17 -1.06 -2.26 115.15 121.24 1th3 h HIS 363 Ca 0.05 -0.17 -0.14 0.00 0.71 0.00 0.00 60.37 60.83 1th3 h HIS 363 Cb -0.02 -0.01 0.00 0.00 2.52 0.00 0.00 27.41 29.90 1th3 h HIS 363 CO 0.00 1.37 -0.40 -0.09 0.71 0.00 0.00 177.93 179.52 1th3 h ARG 364 N -0.66 0.67 0.00 5.26 2.43 0.28 -3.39 114.38 118.96 1th3 h ARG 364 Ca -0.22 -0.42 -0.36 0.00 -0.81 0.00 0.00 59.98 58.17 1th3 h ARG 364 Cb 1.44 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 30.98 1th3 h ARG 364 CO -0.01 1.04 -2.12 1.28 -1.51 0.00 0.00 179.97 178.64 1th3 n LEU 365 N -4.22 1.94 0.00 3.80 4.77 0.82 -4.53 117.00 119.59 1th3 n LEU 365 Ca -0.05 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1th3 n LEU 365 Cb 0.54 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1th3 n LEU 365 CO 0.46 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 1th3 n GLY 366 N 1.31 4.33 0.31 -0.72 0.00 -0.81 -4.86 105.19 104.75 1th3 n GLY 366 Ca -0.45 -1.31 0.12 0.00 0.00 0.00 0.00 46.02 44.38 1th3 n GLY 366 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1th3 h PRO 367 N 0.00 0.42 -1.02 1.61 0.11 -1.84 -1.62 132.00 129.65 1th3 h PRO 367 Ca 0.00 -0.03 -0.45 0.00 0.11 0.00 0.00 66.00 65.63 1th3 h PRO 367 Cb 0.00 -0.09 -0.26 0.00 0.11 0.00 0.00 31.00 30.76 1th3 h PRO 367 CO 0.00 0.28 0.58 0.09 -0.21 0.00 0.00 178.00 178.74 1th3 n ASN 368 N -5.02 4.19 0.04 -2.05 3.02 -1.26 -4.64 115.26 109.54 1th3 n ASN 368 Ca 0.21 -3.38 0.04 0.00 -0.03 0.00 0.00 54.58 51.42 1th3 n ASN 368 Cb 0.61 -0.82 0.44 0.00 -0.61 0.00 0.00 39.78 39.40 1th3 n ASN 368 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 1th3 h TYR 369 N 0.99 0.43 0.00 3.10 -0.00 -1.62 0.13 116.97 120.00 1th3 h TYR 369 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.27 1th3 h TYR 369 Cb 2.31 -0.14 0.00 0.00 0.00 0.00 0.00 36.73 38.90 1th3 h TYR 369 CO 1.32 0.30 0.00 1.28 -0.00 0.00 0.00 178.16 181.06 1th3 n LEU 370 N -4.46 0.02 -0.03 0.10 4.77 -1.26 0.05 117.00 116.19 1th3 n LEU 370 Ca 0.02 0.51 0.13 0.00 -0.03 0.00 0.00 56.01 56.64 1th3 n LEU 370 Cb 0.09 -0.51 0.41 0.00 -2.33 0.00 0.00 43.42 41.08 1th3 n LEU 370 CO 0.35 -0.47 0.67 0.00 -1.33 0.00 0.00 177.39 176.61 1th3 n GLN 371 N -1.52 0.14 -2.21 3.23 6.02 0.47 -2.35 117.38 121.14 1th3 n GLN 371 Ca 0.01 -0.06 -0.42 0.00 -0.01 0.00 0.00 57.00 56.52 1th3 n GLN 371 Cb 0.03 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.76 1th3 n GLN 371 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1th3 s ILE 372 N -2.90 3.49 0.14 5.09 1.01 0.11 -4.72 121.20 123.40 1th3 s ILE 372 Ca 0.15 1.04 -0.15 0.00 0.00 0.00 0.00 60.65 61.68 1th3 s ILE 372 Cb 0.18 -3.67 0.08 0.00 0.01 0.00 0.00 42.46 39.07 1th3 s ILE 372 CO 0.61 0.06 1.04 -2.65 0.00 0.00 0.00 174.94 174.01 1th3 n PRO 373 N 4.23 -0.21 0.14 2.79 -0.02 -1.26 0.12 135.00 140.78 1th3 n PRO 373 Ca 0.11 1.03 0.09 0.00 -2.02 0.00 0.00 63.50 62.71 1th3 n PRO 373 Cb 0.43 -1.52 0.58 0.00 -0.02 0.00 0.00 33.50 32.97 1th3 n PRO 373 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1th3 h VAL 374 N 0.00 0.99 0.00 -1.45 2.07 -1.90 -2.76 116.25 113.20 1th3 h VAL 374 Ca 0.18 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 1th3 h VAL 374 Cb 0.35 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1th3 h VAL 374 CO -0.65 0.03 -1.48 0.59 0.02 0.00 0.00 177.57 176.08 1th3 n ASN 375 N -4.50 0.47 -4.72 0.57 3.02 0.32 -4.93 115.26 105.49 1th3 n ASN 375 Ca 0.01 0.18 -0.42 0.00 -0.03 0.00 0.00 54.58 54.32 1th3 n ASN 375 Cb 0.16 1.12 -0.03 0.00 -0.61 0.00 0.00 39.78 40.42 1th3 n ASN 375 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1th3 n PRO 377 N 3.59 2.78 0.11 0.00 -0.04 -1.26 -4.80 135.00 135.37 1th3 n PRO 377 Ca 0.12 -2.67 0.07 0.00 -0.04 0.00 0.00 63.50 60.98 1th3 n PRO 377 Cb 0.39 -3.31 0.39 0.00 -0.04 0.00 0.00 33.50 30.93 1th3 n PRO 377 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1th3 n TYR 378 N 6.89 0.49 -0.96 0.54 4.11 -1.26 -1.55 117.16 125.42 1th3 n TYR 378 Ca 0.51 0.25 0.04 0.00 -0.00 0.00 0.00 57.90 58.70 1th3 n TYR 378 Cb 0.41 -0.90 0.37 0.00 -0.00 0.00 0.00 39.34 39.21 1th3 n TYR 378 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1th3 n ARG 379 N -2.00 4.40 -4.11 -3.48 1.74 -1.26 -4.91 116.66 107.03 1th3 n ARG 379 Ca -0.01 -3.12 -0.09 0.00 -0.77 0.00 0.00 57.85 53.86 1th3 n ARG 379 Cb 0.03 -2.21 -0.10 0.00 -1.02 0.00 0.00 32.46 29.16 1th3 n ARG 379 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1th3 s ALA 380 N -2.85 0.68 -0.56 7.54 0.00 -0.59 -3.74 121.76 122.24 1th3 s ALA 380 Ca 0.54 -1.34 -0.06 0.00 0.00 0.00 0.00 51.96 51.09 1th3 s ALA 380 Cb 0.42 0.73 0.15 0.00 0.00 0.00 0.00 23.12 24.41 1th3 s ALA 380 CO 0.14 -0.48 0.41 0.50 0.00 0.00 0.00 175.76 176.34 1th3 s ARG 381 N -4.01 2.57 -0.39 0.00 6.06 -1.26 -4.95 118.95 116.98 1th3 s ARG 381 Ca 0.19 -2.14 -0.29 0.00 -2.50 0.00 0.00 55.73 51.00 1th3 s ARG 381 Cb 0.07 -3.86 0.02 0.00 0.06 0.00 0.00 34.95 31.24 1th3 s ARG 381 CO -0.01 -1.18 1.19 0.54 -2.50 0.00 0.00 175.30 173.34 1th3 s VAL 382 N 0.66 4.23 -0.09 7.11 0.11 -1.26 -4.98 120.40 126.19 1th3 s VAL 382 Ca 0.12 1.34 -0.04 0.00 -2.93 0.00 0.00 61.98 60.47 1th3 s VAL 382 Cb -0.21 -4.40 0.05 0.00 -1.53 0.00 0.00 36.38 30.28 1th3 s VAL 382 CO -0.03 -0.72 0.19 0.00 -3.33 0.00 0.00 175.10 171.21 1th3 s ALA 383 N 4.35 -0.33 0.00 1.54 0.00 -1.26 -5.07 121.76 120.99 1th3 s ALA 383 Ca 0.51 0.75 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1th3 s ALA 383 Cb -0.11 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.31 1th3 s ALA 383 CO 0.25 -0.37 0.00 0.27 0.00 0.00 0.00 175.76 175.91 1th3 n ASN 384 N 4.75 0.00 -1.25 0.00 0.23 -1.26 -4.92 115.26 112.80 1th3 n ASN 384 Ca -0.16 0.00 -0.01 0.00 -0.53 0.00 0.00 54.58 53.88 1th3 n ASN 384 Cb 0.51 0.00 0.24 0.00 -2.08 0.00 0.00 39.78 38.45 1th3 n ASN 384 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1th3 n TYR 385 N 0.00 1.37 -3.70 -2.53 4.01 -1.26 -4.94 117.16 110.12 1th3 n TYR 385 Ca 0.00 -1.29 -0.37 0.00 -0.16 0.00 0.00 57.90 56.08 1th3 n TYR 385 Cb 0.00 -0.49 -0.07 0.00 -0.31 0.00 0.00 39.34 38.48 1th3 n TYR 385 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1th3 s GLN 386 N -3.06 3.84 0.14 -0.72 -0.21 -1.26 -4.88 119.66 113.51 1th3 s GLN 386 Ca 0.46 0.03 -0.01 0.00 0.02 0.00 0.00 55.36 55.86 1th3 s GLN 386 Cb 0.39 -3.29 -0.04 0.00 1.00 0.00 0.00 33.01 31.08 1th3 s GLN 386 CO 0.06 0.56 0.05 1.03 -2.12 0.00 0.00 175.29 174.88 1th3 s ARG 387 N -0.48 0.98 4.66 2.91 1.81 -1.26 -4.96 118.95 122.61 1th3 s ARG 387 Ca 0.16 -1.47 0.00 0.00 -1.72 0.00 0.00 55.73 52.70 1th3 s ARG 387 Cb -0.13 0.15 0.00 0.00 -0.45 0.00 0.00 34.95 34.52 1th3 s ARG 387 CO 0.05 -0.25 0.00 -0.25 -0.68 0.00 0.00 175.30 174.17 1th3 n ASP 388 N -0.14 0.00 0.00 0.23 8.00 -1.26 -5.04 116.55 118.34 1th3 n ASP 388 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1th3 n ASP 388 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.74 1th3 n ASP 388 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1th3 n GLY 389 N 0.00 1.03 3.78 0.44 0.00 -1.26 -4.71 105.19 104.46 1th3 n GLY 389 Ca 0.00 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 1th3 n GLY 389 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1th3 n PRO 390 N 1.08 2.67 -3.76 1.61 -0.04 -1.26 -2.83 135.00 132.47 1th3 n PRO 390 Ca 0.00 0.94 -0.26 0.00 -0.04 0.00 0.00 63.50 64.14 1th3 n PRO 390 Cb 0.00 -2.68 0.04 0.00 -0.04 0.00 0.00 33.50 30.83 1th3 n PRO 390 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1th3 n MET 391 N 0.40 -5.96 -2.10 0.54 2.81 -1.26 -4.35 117.12 107.20 1th3 n MET 391 Ca 0.01 0.67 -0.42 0.00 -1.81 0.00 0.00 57.70 56.16 1th3 n MET 391 Cb 0.39 -5.52 -0.03 0.00 -0.71 0.00 0.00 33.22 27.35 1th3 n MET 391 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1th3 n MET 393 N 8.59 0.20 0.00 0.00 2.81 -1.26 -4.92 117.12 122.55 1th3 n MET 393 Ca 0.20 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.09 1th3 n MET 393 Cb 0.49 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.00 1th3 n MET 393 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1th3 n MET 394 N -0.95 0.00 0.00 0.03 2.81 -1.26 -3.71 117.12 114.03 1th3 n MET 394 Ca 0.00 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 56.02 1th3 n MET 394 Cb 0.00 0.00 0.33 0.00 -0.71 0.00 0.00 33.22 32.84 1th3 n MET 394 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1th3 n ASP 395 N -3.01 1.58 -3.31 7.83 4.64 -1.26 -4.93 116.55 118.08 1th3 n ASP 395 Ca 0.00 -1.32 -0.22 0.00 -1.38 0.00 0.00 54.79 51.88 1th3 n ASP 395 Cb 0.00 0.13 0.07 0.00 -1.04 0.00 0.00 41.12 40.28 1th3 n ASP 395 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 1th3 n ASN 396 N -0.05 -6.03 -2.28 1.67 4.05 -1.24 -2.62 115.26 108.75 1th3 n ASN 396 Ca 0.14 -0.48 -0.17 0.00 0.45 0.00 0.00 54.58 54.52 1th3 n ASN 396 Cb 0.40 -4.66 0.02 0.00 1.23 0.00 0.00 39.78 36.77 1th3 n ASN 396 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1th3 n GLN 397 N -4.59 -3.35 0.00 1.20 6.02 -1.26 -4.85 117.38 110.55 1th3 n GLN 397 Ca 0.00 0.72 0.00 0.00 -0.01 0.00 0.00 57.00 57.71 1th3 n GLN 397 Cb 0.56 -5.15 0.00 0.00 1.02 0.00 0.00 30.24 26.67 1th3 n GLN 397 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1th3 n GLY 398 N -1.29 1.05 2.36 1.08 0.00 -1.08 -2.96 105.19 104.34 1th3 n GLY 398 Ca -0.11 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 1th3 n GLY 398 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1th3 n GLY 399 N 0.00 5.35 3.81 -0.02 0.00 -1.26 -4.99 105.19 108.08 1th3 n GLY 399 Ca 0.00 -2.06 -0.36 0.00 0.00 0.00 0.00 46.02 43.60 1th3 n GLY 399 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1th3 s ALA 400 N -3.31 3.33 0.03 4.61 0.00 -1.16 -4.99 121.76 120.27 1th3 s ALA 400 Ca 0.55 0.25 -0.37 0.00 0.00 0.00 0.00 51.96 52.39 1th3 s ALA 400 Cb 0.43 -2.92 -0.17 0.00 0.00 0.00 0.00 23.12 20.47 1th3 s ALA 400 CO -0.10 0.28 1.41 -2.30 0.00 0.00 0.00 175.76 175.05 1th3 n PRO 401 N 0.48 1.15 -0.80 0.00 -0.02 -1.26 -4.88 135.00 129.67 1th3 n PRO 401 Ca -0.00 0.42 0.04 0.00 -2.02 0.00 0.00 63.50 61.93 1th3 n PRO 401 Cb 0.51 -2.07 0.33 0.00 -0.02 0.00 0.00 33.50 32.26 1th3 n PRO 401 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1th3 n ASN 402 N 3.01 4.87 -4.08 2.55 2.04 -1.26 -4.91 115.26 117.47 1th3 n ASN 402 Ca 0.20 -3.07 -0.14 0.00 -0.44 0.00 0.00 54.58 51.13 1th3 n ASN 402 Cb 0.18 -0.66 -0.12 0.00 -2.53 0.00 0.00 39.78 36.65 1th3 n ASN 402 CO 0.00 0.00 0.00 -0.72 -0.44 0.00 0.00 177.26 176.10 1th3 s TYR 403 N -2.87 0.78 -0.06 -2.53 1.13 -1.26 -4.85 117.35 107.69 1th3 s TYR 403 Ca 0.51 -0.49 0.03 0.00 -1.41 0.00 0.00 57.07 55.71 1th3 s TYR 403 Cb 0.40 -0.46 0.01 0.00 -1.10 0.00 0.00 41.96 40.81 1th3 s TYR 403 CO 0.13 -0.06 -0.14 -0.47 -2.51 0.00 0.00 175.55 172.51 1th3 s TYR 404 N -1.35 1.52 0.75 -3.49 5.04 -1.26 -3.93 117.35 114.63 1th3 s TYR 404 Ca -0.08 -0.53 -0.11 0.00 -2.44 0.00 0.00 57.07 53.91 1th3 s TYR 404 Cb -0.10 -1.09 0.05 0.00 0.35 0.00 0.00 41.96 41.18 1th3 s TYR 404 CO 0.01 -0.25 1.12 -1.25 -1.34 0.00 0.00 175.55 173.84 1th3 s PRO 405 N 0.48 2.30 0.10 4.97 0.04 -1.26 -5.21 135.00 136.43 1th3 s PRO 405 Ca -0.12 0.16 -0.12 0.00 0.04 0.00 0.00 61.00 60.96 1th3 s PRO 405 Cb -0.14 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.39 1th3 s PRO 405 CO 0.03 -1.34 0.27 0.54 0.04 0.00 0.00 177.00 176.55 1th3 s ASN 406 N -4.49 -0.02 -0.48 6.66 2.20 -1.25 -5.04 114.94 112.51 1th3 s ASN 406 Ca 0.60 -0.53 0.03 0.00 -0.94 0.00 0.00 52.86 52.02 1th3 s ASN 406 Cb -0.11 0.39 0.49 0.00 -2.00 0.00 0.00 41.25 40.03 1th3 s ASN 406 CO 0.49 -0.78 1.72 -1.20 -2.94 0.00 0.00 177.10 174.39 1th3 n SER 407 N -0.13 5.63 -0.37 3.54 7.64 -1.26 -4.54 113.62 124.13 1th3 n SER 407 Ca -0.15 -3.76 0.05 0.00 1.01 0.00 0.00 58.87 56.02 1th3 n SER 407 Cb 0.63 -0.75 0.08 0.00 -1.01 0.00 0.00 64.21 63.16 1th3 n SER 407 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1th3 n PHE 408 N -0.93 0.00 -2.79 1.43 3.72 -1.26 -5.02 117.46 112.61 1th3 n PHE 408 Ca 0.53 -0.61 -0.13 0.00 -0.05 0.00 0.00 57.45 57.19 1th3 n PHE 408 Cb 0.94 -0.12 0.03 0.00 -0.94 0.00 0.00 39.48 39.38 1th3 n PHE 408 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1th3 n SER 409 N -0.72 -4.25 -4.90 4.37 7.64 -1.26 -4.92 113.62 109.58 1th3 n SER 409 Ca 0.09 -0.20 -0.25 0.00 1.01 0.00 0.00 58.87 59.53 1th3 n SER 409 Cb 0.70 -3.07 0.07 0.00 -1.01 0.00 0.00 64.21 60.90 1th3 n SER 409 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1th3 s ALA 410 N -2.96 3.30 0.14 -0.43 0.00 -1.26 -4.99 121.76 115.57 1th3 s ALA 410 Ca 0.21 -1.06 -0.33 0.00 0.00 0.00 0.00 51.96 50.78 1th3 s ALA 410 Cb -0.09 -2.47 -0.17 0.00 0.00 0.00 0.00 23.12 20.39 1th3 s ALA 410 CO 0.26 -1.24 0.90 -2.30 0.00 0.00 0.00 175.76 173.38 1th3 n PRO 411 N -2.83 0.45 -4.30 0.00 -0.02 -1.26 -5.01 135.00 122.03 1th3 n PRO 411 Ca 0.09 0.16 -0.25 0.00 -2.02 0.00 0.00 63.50 61.48 1th3 n PRO 411 Cb 0.60 -1.48 -0.08 0.00 -0.02 0.00 0.00 33.50 32.52 1th3 n PRO 411 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1th3 s GLU 412 N -0.57 2.17 -0.10 -0.52 8.01 -1.26 -5.02 118.70 121.41 1th3 s GLU 412 Ca 0.74 -1.37 -0.22 0.00 0.01 0.00 0.00 54.97 54.13 1th3 s GLU 412 Cb -0.98 -2.15 -0.04 0.00 -4.31 0.00 0.00 34.13 26.66 1th3 s GLU 412 CO 0.55 0.39 0.64 -3.38 0.01 0.00 0.00 175.26 173.47 1th3 s HIS 413 N -2.08 3.53 -0.75 1.61 -3.43 -1.26 -5.01 115.29 107.90 1th3 s HIS 413 Ca 0.29 1.11 -0.26 0.00 -0.80 0.00 0.00 55.06 55.40 1th3 s HIS 413 Cb -0.07 -2.74 0.04 0.00 -1.43 0.00 0.00 32.58 28.38 1th3 s HIS 413 CO 0.18 0.07 1.23 -1.14 -2.00 0.00 0.00 174.74 173.07 1th3 s GLN 414 N 0.93 3.21 0.24 -0.38 0.74 -1.26 -4.87 119.66 118.27 1th3 s GLN 414 Ca 0.33 -0.46 0.11 0.00 0.05 0.00 0.00 55.36 55.40 1th3 s GLN 414 Cb -0.17 -4.30 0.62 0.00 1.10 0.00 0.00 33.01 30.27 1th3 s GLN 414 CO 0.15 -2.08 1.25 -0.35 -0.55 0.00 0.00 175.29 173.71 1th3 n PRO 415 N 8.96 0.08 0.00 1.67 -0.04 -1.26 -1.18 135.00 143.23 1th3 n PRO 415 Ca 0.04 0.53 0.13 0.00 -0.04 0.00 0.00 63.50 64.16 1th3 n PRO 415 Cb 0.48 -1.95 0.72 0.00 -0.04 0.00 0.00 33.50 32.72 1th3 n PRO 415 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1th3 n SER 416 N -1.91 0.00 -0.54 3.54 7.64 -1.26 -2.94 113.62 118.15 1th3 n SER 416 Ca -0.01 -0.36 0.06 0.00 1.01 0.00 0.00 58.87 59.58 1th3 n SER 416 Cb 0.22 -0.19 0.07 0.00 -1.01 0.00 0.00 64.21 63.30 1th3 n SER 416 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1th3 n ALA 417 N -1.19 2.45 -1.52 -0.43 0.00 -0.32 -5.03 120.51 114.46 1th3 n ALA 417 Ca 0.15 -0.67 -0.43 0.00 0.00 0.00 0.00 53.44 52.49 1th3 n ALA 417 Cb 0.17 -0.44 -0.00 0.00 0.00 0.00 0.00 19.45 19.18 1th3 n ALA 417 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1th3 n LEU 418 N 0.71 0.96 -4.61 0.00 4.77 -1.15 -4.84 117.00 112.84 1th3 n LEU 418 Ca 0.08 1.06 -0.30 0.00 -0.03 0.00 0.00 56.01 56.82 1th3 n LEU 418 Cb 0.34 -1.20 0.20 0.00 -2.33 0.00 0.00 43.42 40.42 1th3 n LEU 418 CO 0.08 -2.11 0.62 -1.61 -1.33 0.00 0.00 177.39 173.04 1th3 s GLU 419 N -1.58 0.32 -0.22 3.23 8.01 -1.26 -4.95 118.70 122.24 1th3 s GLU 419 Ca 0.62 1.27 -0.23 0.00 0.01 0.00 0.00 54.97 56.64 1th3 s GLU 419 Cb -0.67 -1.67 -0.01 0.00 -4.31 0.00 0.00 34.13 27.47 1th3 s GLU 419 CO 0.58 -3.02 0.76 -1.58 0.01 0.00 0.00 175.26 172.02 1th3 s HIS 420 N -2.59 3.34 -0.02 1.61 5.65 -1.26 -5.02 115.29 116.99 1th3 s HIS 420 Ca 0.67 1.07 -0.30 0.00 0.25 0.00 0.00 55.06 56.75 1th3 s HIS 420 Cb -0.23 -2.97 -0.05 0.00 -1.18 0.00 0.00 32.58 28.14 1th3 s HIS 420 CO 0.60 -0.32 1.47 0.50 -0.65 0.00 0.00 174.74 176.34 1th3 s ARG 421 N 2.51 4.24 0.37 2.88 3.52 -1.26 -5.04 118.95 126.18 1th3 s ARG 421 Ca 0.33 2.03 0.04 0.00 -0.13 0.00 0.00 55.73 58.00 1th3 s ARG 421 Cb -0.16 -3.68 -0.05 0.00 -1.56 0.00 0.00 34.95 29.50 1th3 s ARG 421 CO 0.09 -0.67 0.07 0.99 -0.81 0.00 0.00 175.30 174.97 1th3 s THR 422 N 2.90 1.10 -0.06 4.11 2.01 -1.26 -5.12 115.64 119.32 1th3 s THR 422 Ca 0.66 -2.00 0.05 0.00 0.31 0.00 0.00 61.69 60.71 1th3 s THR 422 Cb -0.32 -2.63 -0.01 0.00 0.01 0.00 0.00 72.50 69.55 1th3 s THR 422 CO 0.27 0.00 -0.22 -2.28 -0.69 0.00 0.00 174.62 171.70 1th3 s HIS 423 N -3.18 2.20 -0.04 4.92 2.46 -1.26 -5.12 115.29 115.26 1th3 s HIS 423 Ca 0.30 -0.69 0.01 0.00 0.47 0.00 0.00 55.06 55.15 1th3 s HIS 423 Cb 0.07 -1.46 0.02 0.00 -0.13 0.00 0.00 32.58 31.08 1th3 s HIS 423 CO 0.14 -0.23 -0.04 -0.06 -2.47 0.00 0.00 174.74 172.08 1th3 s PHE 424 N -0.01 0.74 -0.09 3.88 0.40 -1.26 -5.13 117.98 116.51 1th3 s PHE 424 Ca -0.06 -0.20 0.01 0.00 -0.60 0.00 0.00 56.93 56.08 1th3 s PHE 424 Cb -0.14 -0.66 0.02 0.00 0.51 0.00 0.00 43.02 42.75 1th3 s PHE 424 CO 0.04 -0.19 -0.11 0.45 0.70 0.00 0.00 175.22 176.11 1th3 s SER 425 N 0.91 1.98 0.00 1.36 0.15 -1.26 -5.10 113.70 111.74 1th3 s SER 425 Ca -0.11 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.23 1th3 s SER 425 Cb -0.14 -0.86 0.00 0.00 -1.71 0.00 0.00 66.02 63.31 1th3 s SER 425 CO 0.00 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.03 1th3 n GLY 426 N 4.27 2.12 3.82 9.45 0.00 -1.26 -5.14 105.19 118.44 1th3 n GLY 426 Ca -0.19 -1.20 -0.33 0.00 0.00 0.00 0.00 46.02 44.31 1th3 n GLY 426 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1th3 s ASP 427 N 0.00 6.52 -0.56 1.61 1.11 -1.26 -5.00 116.67 119.09 1th3 s ASP 427 Ca 0.00 1.74 -0.23 0.00 0.18 0.00 0.00 52.55 54.24 1th3 s ASP 427 Cb 0.00 -2.54 0.05 0.00 1.07 0.00 0.00 42.92 41.50 1th3 s ASP 427 CO 0.00 -0.65 0.90 0.68 1.18 0.00 0.00 175.17 177.27 1th3 s VAL 428 N -2.29 4.45 0.30 -1.27 -7.23 -1.26 -4.98 120.40 108.12 1th3 s VAL 428 Ca 0.63 0.04 -0.07 0.00 -1.81 0.00 0.00 61.98 60.77 1th3 s VAL 428 Cb -0.12 -4.53 0.00 0.00 0.56 0.00 0.00 36.38 32.29 1th3 s VAL 428 CO 0.23 -1.13 0.48 -1.10 -0.31 0.00 0.00 175.10 173.27 1th3 s GLN 429 N 3.77 1.75 -0.92 4.82 -0.21 -1.26 -5.09 119.66 122.51 1th3 s GLN 429 Ca 0.26 -1.54 -0.16 0.00 0.02 0.00 0.00 55.36 53.95 1th3 s GLN 429 Cb -0.14 0.46 0.18 0.00 1.00 0.00 0.00 33.01 34.50 1th3 s GLN 429 CO 0.16 -0.73 1.00 1.03 -2.12 0.00 0.00 175.29 174.64 1th3 s ARG 430 N -3.44 3.69 -0.28 2.91 0.52 -1.26 -5.01 118.95 116.08 1th3 s ARG 430 Ca 0.27 -2.22 -0.29 0.00 -0.52 0.00 0.00 55.73 52.97 1th3 s ARG 430 Cb -0.00 -4.70 0.00 0.00 0.52 0.00 0.00 34.95 30.77 1th3 s ARG 430 CO 0.15 -1.54 1.24 -0.06 0.02 0.00 0.00 175.30 175.11 1th3 s PHE 431 N 1.27 2.82 -0.33 -0.53 0.08 -1.26 -4.98 117.98 115.05 1th3 s PHE 431 Ca 0.27 0.97 -0.28 0.00 0.12 0.00 0.00 56.93 58.01 1th3 s PHE 431 Cb -0.07 -3.79 -0.04 0.00 -0.57 0.00 0.00 43.02 38.55 1th3 s PHE 431 CO -0.08 -1.49 2.02 1.21 -0.10 0.00 0.00 175.22 176.78 1th3 s ASN 432 N 2.39 5.53 -0.11 1.36 2.47 -1.26 -4.87 114.94 120.46 1th3 s ASN 432 Ca 0.53 1.42 0.17 0.00 0.42 0.00 0.00 52.86 55.40 1th3 s ASN 432 Cb -0.16 -2.52 0.62 0.00 -1.45 0.00 0.00 41.25 37.74 1th3 s ASN 432 CO 0.20 -1.98 1.53 -1.54 -3.72 0.00 0.00 177.10 171.59 1th3 n SER 433 N 11.59 4.32 0.20 -4.21 3.41 -1.26 -4.52 113.62 123.15 1th3 n SER 433 Ca 0.27 -2.48 0.14 0.00 -0.26 0.00 0.00 58.87 56.54 1th3 n SER 433 Cb 0.47 -0.52 0.61 0.00 -0.26 0.00 0.00 64.21 64.52 1th3 n SER 433 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1th3 h ALA 434 N 3.33 1.00 -0.16 7.33 0.00 -1.99 -3.13 119.26 125.65 1th3 h ALA 434 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1th3 h ALA 434 Cb 1.34 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 1th3 h ALA 434 CO 0.20 0.00 -0.17 0.09 0.00 0.00 0.00 179.25 179.36 1th3 n ASN 435 N -2.59 2.44 -3.33 0.00 5.03 -1.26 -4.81 115.26 110.75 1th3 n ASN 435 Ca 0.01 -3.55 -0.39 0.00 0.87 0.00 0.00 54.58 51.52 1th3 n ASN 435 Cb 0.23 -0.55 -0.03 0.00 -1.02 0.00 0.00 39.78 38.42 1th3 n ASN 435 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1th3 n ASP 436 N -1.10 8.69 -2.14 6.41 9.92 -1.19 -4.82 116.55 132.34 1th3 n ASP 436 Ca 0.24 -2.65 0.00 0.00 -0.53 0.00 0.00 54.79 51.85 1th3 n ASP 436 Cb 0.83 -1.53 0.00 0.00 -0.64 0.00 0.00 41.12 39.77 1th3 n ASP 436 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1th3 n ASP 437 N 3.34 -6.21 -0.45 -2.24 -0.08 -1.26 -4.95 116.55 104.69 1th3 n ASP 437 Ca 0.77 1.49 0.07 0.00 -1.51 0.00 0.00 54.79 55.61 1th3 n ASP 437 Cb 0.23 -3.95 0.16 0.00 2.34 0.00 0.00 41.12 39.90 1th3 n ASP 437 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1th3 n ASN 438 N 1.88 1.81 0.00 1.67 3.02 -1.26 -4.84 115.26 117.55 1th3 n ASN 438 Ca 0.00 -3.36 0.00 0.00 -0.03 0.00 0.00 54.58 51.19 1th3 n ASN 438 Cb 0.00 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.71 1th3 n ASN 438 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1th3 n VAL 439 N -1.07 0.00 0.00 2.41 0.24 -1.26 -4.57 118.33 114.07 1th3 n VAL 439 Ca 0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.46 1th3 n VAL 439 Cb 0.70 -0.60 0.00 0.00 -1.47 0.00 0.00 33.84 32.47 1th3 n VAL 439 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1th3 n THR 440 N -2.45 0.00 0.31 3.34 -1.04 -1.26 0.12 114.28 113.30 1th3 n THR 440 Ca 0.00 0.97 0.19 0.00 -2.04 0.00 0.00 64.05 63.17 1th3 n THR 440 Cb 0.10 -1.31 1.04 0.00 -1.82 0.00 0.00 70.33 68.34 1th3 n THR 440 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1th3 h GLN 441 N 0.00 0.00 0.00 -2.82 4.20 -1.93 -1.98 115.11 112.58 1th3 h GLN 441 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1th3 h GLN 441 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1th3 h GLN 441 CO 0.00 0.00 -0.04 0.28 -0.67 0.00 0.00 178.83 178.40 1th3 h VAL 442 N 0.00 1.63 -0.65 -0.54 2.07 0.61 -3.07 116.25 116.30 1th3 h VAL 442 Ca 0.01 -1.91 0.09 0.00 0.82 0.00 0.00 66.70 65.72 1th3 h VAL 442 Cb 0.11 2.91 -0.07 0.00 -1.52 0.00 0.00 31.29 32.72 1th3 h VAL 442 CO -0.00 0.50 0.28 -0.09 0.02 0.00 0.00 177.57 178.27 1th3 h ARG 443 N -0.76 0.47 0.00 1.57 2.43 0.12 0.34 114.38 118.55 1th3 h ARG 443 Ca -0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1th3 h ARG 443 Cb 0.84 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1th3 h ARG 443 CO 0.01 0.31 0.00 0.25 -1.51 0.00 0.00 179.97 179.03 1th3 n THR 444 N -4.95 0.00 -0.13 0.20 -2.24 -0.90 -2.28 114.28 103.99 1th3 n THR 444 Ca 0.10 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.70 1th3 n THR 444 Cb 0.27 -0.54 -0.12 0.00 -2.10 0.00 0.00 70.33 67.84 1th3 n THR 444 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1th3 n PHE 445 N -0.91 0.00 0.13 4.78 7.35 0.11 -2.92 117.46 126.01 1th3 n PHE 445 Ca 0.14 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.78 1th3 n PHE 445 Cb 0.07 -1.00 -0.02 0.00 0.35 0.00 0.00 39.48 38.87 1th3 n PHE 445 CO 0.00 0.00 0.00 -0.92 -0.76 0.00 0.00 176.76 175.08 1th3 h TYR 446 N 0.00 -0.31 -2.58 -5.13 3.20 -0.96 -2.43 116.97 108.77 1th3 h TYR 446 Ca -0.58 -0.01 -0.80 0.00 3.14 0.00 0.00 58.73 60.48 1th3 h TYR 446 Cb 1.91 0.10 -0.26 0.00 1.54 0.00 0.00 36.73 40.02 1th3 h TYR 446 CO 0.03 -0.19 1.00 1.47 -1.64 0.00 0.00 178.16 178.83 1th3 n LEU 447 N -3.09 6.73 0.00 2.82 -0.00 -0.96 -3.88 117.00 118.62 1th3 n LEU 447 Ca -0.04 -5.20 0.00 0.00 -0.00 0.00 0.00 56.01 50.77 1th3 n LEU 447 Cb 0.13 -1.27 0.00 0.00 -0.00 0.00 0.00 43.42 42.28 1th3 n LEU 447 CO 0.10 1.76 0.00 1.17 -0.00 0.00 0.00 177.39 180.42 1th3 n LYS 448 N 1.22 0.00 0.07 1.47 3.00 -1.25 -4.79 118.16 117.88 1th3 n LYS 448 Ca 0.33 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.57 1th3 n LYS 448 Cb 0.31 0.00 0.09 0.00 0.00 0.00 0.00 35.03 35.43 1th3 n LYS 448 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1th3 h VAL 449 N 0.00 1.38 -1.96 3.15 2.07 -1.37 -3.45 116.25 116.07 1th3 h VAL 449 Ca 0.00 -2.00 -0.44 0.00 0.82 0.00 0.00 66.70 65.08 1th3 h VAL 449 Cb 0.00 2.00 0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1th3 h VAL 449 CO 0.00 0.60 -0.24 -0.76 0.02 0.00 0.00 177.57 177.19 1th3 s LEU 450 N -7.98 3.75 0.25 2.57 1.43 -0.94 -5.07 118.68 112.70 1th3 s LEU 450 Ca -0.05 -0.14 0.09 0.00 -1.03 0.00 0.00 54.13 53.00 1th3 s LEU 450 Cb 0.11 -2.81 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 1th3 s LEU 450 CO 0.81 -0.65 0.00 0.54 0.23 0.00 0.00 176.35 177.28 1th3 s ASN 451 N -4.26 4.59 0.51 2.29 2.20 -1.26 -4.78 114.94 114.23 1th3 s ASN 451 Ca 0.50 -0.60 0.31 0.00 -0.94 0.00 0.00 52.86 52.12 1th3 s ASN 451 Cb -0.10 -0.88 1.43 0.00 -2.00 0.00 0.00 41.25 39.70 1th3 s ASN 451 CO 0.34 0.01 1.82 -0.08 -2.94 0.00 0.00 177.10 176.25 1th3 h GLU 452 N 1.98 0.09 0.68 3.55 4.57 -1.97 0.85 114.58 124.33 1th3 h GLU 452 Ca -0.45 -0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 57.69 1th3 h GLU 452 Cb 1.24 -0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.82 1th3 h GLU 452 CO 0.60 0.06 -0.33 1.49 -1.18 0.00 0.00 179.01 179.66 1th3 h GLU 453 N 0.10 -0.88 0.00 1.92 4.22 -2.01 -2.89 114.58 115.04 1th3 h GLU 453 Ca 0.53 0.06 0.00 0.00 0.08 0.00 0.00 59.36 60.03 1th3 h GLU 453 Cb 1.93 0.20 0.00 0.00 0.50 0.00 0.00 28.75 31.38 1th3 h GLU 453 CO -0.07 -0.56 0.00 0.00 -2.18 0.00 0.00 179.01 176.20 1th3 n GLN 454 N -5.39 0.25 0.05 1.92 10.64 -0.62 -2.97 117.38 121.26 1th3 n GLN 454 Ca -0.12 0.01 -0.10 0.00 -1.83 0.00 0.00 57.00 54.97 1th3 n GLN 454 Cb 0.37 -1.50 0.03 0.00 -0.86 0.00 0.00 30.24 28.28 1th3 n GLN 454 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.06 175.14 1th3 h ARG 455 N 0.00 0.39 0.02 2.61 2.43 0.76 -2.47 114.38 118.12 1th3 h ARG 455 Ca 0.00 -0.32 -0.24 0.00 -0.81 0.00 0.00 59.98 58.61 1th3 h ARG 455 Cb 0.36 0.07 0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1th3 h ARG 455 CO 0.00 0.96 -1.01 -0.22 -1.51 0.00 0.00 179.97 178.19 1th3 h LYS 456 N 0.26 0.47 -0.47 0.20 3.64 -1.40 -2.81 116.57 116.46 1th3 h LYS 456 Ca -0.03 -0.53 -0.03 0.00 -1.27 0.00 0.00 60.65 58.78 1th3 h LYS 456 Cb 1.30 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 33.26 1th3 h LYS 456 CO 0.12 1.18 0.16 -0.09 -2.27 0.00 0.00 179.45 178.55 1th3 h ARG 457 N 0.25 0.69 0.60 1.90 9.65 -1.54 -1.79 114.38 124.14 1th3 h ARG 457 Ca -0.10 -0.11 -0.03 0.00 -1.10 0.00 0.00 59.98 58.64 1th3 h ARG 457 Cb 1.66 -0.12 0.01 0.00 -1.39 0.00 0.00 29.97 30.12 1th3 h ARG 457 CO 0.18 0.59 -0.29 1.25 2.80 0.00 0.00 179.97 184.50 1th3 h LEU 458 N 0.68 -0.68 -1.95 3.80 5.85 -1.42 -1.43 115.31 120.16 1th3 h LEU 458 Ca 0.16 0.02 0.34 0.00 0.84 0.00 0.00 57.88 59.24 1th3 h LEU 458 Cb 0.18 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 1th3 h LEU 458 CO -0.01 -0.38 0.84 0.00 -0.34 0.00 0.00 178.44 178.55 1th3 h GLU 460 N 0.03 -0.25 -0.68 0.00 5.08 -1.22 -2.81 114.58 114.73 1th3 h GLU 460 Ca 0.57 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 59.08 1th3 h GLU 460 Cb 2.22 0.06 -0.13 0.00 0.50 0.00 0.00 28.75 31.40 1th3 h GLU 460 CO -0.03 0.11 -0.24 -0.91 -1.00 0.00 0.00 179.01 176.94 1th3 h ASN 461 N -0.94 -0.86 0.59 1.42 -0.26 0.01 -1.21 115.58 114.33 1th3 h ASN 461 Ca -0.03 0.22 -0.02 0.00 -0.56 0.00 0.00 56.30 55.91 1th3 h ASN 461 Cb 0.48 0.50 -0.01 0.00 -1.06 0.00 0.00 38.32 38.22 1th3 h ASN 461 CO 0.04 -0.26 -0.44 0.40 -1.06 0.00 0.00 177.43 176.11 1th3 h ILE 462 N -0.06 0.00 -0.90 2.81 2.04 -1.40 -2.81 117.51 117.19 1th3 h ILE 462 Ca 0.31 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.40 1th3 h ILE 462 Cb 0.54 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.56 1th3 h ILE 462 CO -0.73 0.00 0.62 0.00 0.00 0.00 0.00 178.15 178.05 1th3 h ALA 463 N -1.16 2.53 0.00 1.87 0.00 -1.16 0.26 119.26 121.60 1th3 h ALA 463 Ca -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1th3 h ALA 463 Cb 0.81 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1th3 h ALA 463 CO 0.03 -0.81 0.00 0.41 0.00 0.00 0.00 179.25 178.88 1th3 n GLY 464 N -1.61 -0.75 0.63 0.00 0.00 -0.50 -1.56 105.19 101.40 1th3 n GLY 464 Ca 0.19 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 1th3 n GLY 464 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1th3 n HIS 465 N -1.45 0.00 0.20 1.61 -0.00 0.78 -4.64 115.22 111.72 1th3 n HIS 465 Ca 0.03 0.00 0.16 0.00 -0.00 0.00 0.00 57.72 57.91 1th3 n HIS 465 Cb 0.09 -0.16 0.80 0.00 -0.00 0.00 0.00 29.99 30.73 1th3 n HIS 465 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1th3 h LEU 466 N -0.11 0.00 -0.89 0.27 6.46 -1.16 -2.36 115.31 117.52 1th3 h LEU 466 Ca -0.11 0.00 0.13 0.00 -0.12 0.00 0.00 57.88 57.79 1th3 h LEU 466 Cb 1.11 0.00 -0.09 0.00 -0.73 0.00 0.00 40.66 40.95 1th3 h LEU 466 CO -0.05 0.00 0.50 0.07 -0.62 0.00 0.00 178.44 178.34 1th3 h LYS 467 N 0.00 0.72 0.00 1.25 2.10 -1.53 -1.06 116.57 118.05 1th3 h LYS 467 Ca 0.09 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 1th3 h LYS 467 Cb 0.44 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 31.60 1th3 h LYS 467 CO -0.00 0.48 0.00 -0.25 -2.00 0.00 0.00 179.45 177.68 1th3 n ASP 468 N -4.78 0.00 -4.87 7.07 8.00 -0.89 -4.78 116.55 116.30 1th3 n ASP 468 Ca 0.17 0.30 -0.31 0.00 0.71 0.00 0.00 54.79 55.67 1th3 n ASP 468 Cb 0.40 -0.39 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 1th3 n ASP 468 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1th3 s ALA 469 N -2.79 3.34 0.68 2.24 0.00 -0.41 -4.66 121.76 120.16 1th3 s ALA 469 Ca 0.09 -0.12 -0.17 0.00 0.00 0.00 0.00 51.96 51.76 1th3 s ALA 469 Cb 0.08 -2.72 -0.06 0.00 0.00 0.00 0.00 23.12 20.42 1th3 s ALA 469 CO 0.20 0.12 0.47 1.04 0.00 0.00 0.00 175.76 177.60 1th3 n GLN 470 N -0.95 0.35 -0.17 0.00 6.02 -1.26 -4.62 117.38 116.74 1th3 n GLN 470 Ca 0.03 0.15 -0.01 0.00 -0.01 0.00 0.00 57.00 57.16 1th3 n GLN 470 Cb 0.54 -1.74 0.24 0.00 1.02 0.00 0.00 30.24 30.29 1th3 n GLN 470 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1th3 h LEU 471 N -0.19 0.80 -2.08 1.08 3.38 -1.95 -1.14 115.31 115.21 1th3 h LEU 471 Ca -0.45 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.43 1th3 h LEU 471 Cb 1.37 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 1th3 h LEU 471 CO 0.43 0.66 -0.08 2.19 0.09 0.00 0.00 178.44 181.74 1th3 h PHE 472 N 0.91 0.00 0.05 1.13 -0.00 -2.02 -2.40 116.94 114.61 1th3 h PHE 472 Ca 0.23 0.00 -0.08 0.00 -0.00 0.00 0.00 57.97 58.12 1th3 h PHE 472 Cb 0.05 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 36.00 1th3 h PHE 472 CO 0.01 0.08 -0.35 0.82 -0.00 0.00 0.00 178.31 178.87 1th3 h ILE 473 N 0.00 1.65 -0.72 0.88 2.04 -1.58 -3.33 117.51 116.45 1th3 h ILE 473 Ca -0.00 -2.40 0.16 0.00 1.00 0.00 0.00 64.86 63.61 1th3 h ILE 473 Cb 0.19 3.27 -0.12 0.00 -0.74 0.00 0.00 36.82 39.42 1th3 h ILE 473 CO 0.01 0.64 0.03 1.56 0.00 0.00 0.00 178.15 180.39 1th3 h GLN 474 N -0.78 0.13 0.01 2.37 4.20 -0.77 -1.95 115.11 118.32 1th3 h GLN 474 Ca -0.07 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 1th3 h GLN 474 Cb 1.24 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.99 1th3 h GLN 474 CO 0.04 0.08 -0.01 0.87 -0.67 0.00 0.00 178.83 179.15 1th3 h LYS 475 N 0.13 -0.02 -1.22 1.46 1.57 -1.66 -1.04 116.57 115.79 1th3 h LYS 475 Ca 0.39 0.00 0.42 0.00 -1.87 0.00 0.00 60.65 59.59 1th3 h LYS 475 Cb 0.68 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.87 1th3 h LYS 475 CO -0.61 -0.01 0.79 1.17 -0.57 0.00 0.00 179.45 180.22 1th3 n LYS 476 N -2.05 -0.03 0.28 3.15 3.00 -1.16 0.13 118.16 121.47 1th3 n LYS 476 Ca -0.00 1.06 -0.13 0.00 -0.00 0.00 0.00 58.31 59.24 1th3 n LYS 476 Cb 0.01 -2.12 -0.07 0.00 0.00 0.00 0.00 35.03 32.85 1th3 n LYS 476 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1th3 h ALA 477 N 1.33 -0.75 -0.68 3.14 0.00 -1.08 -3.02 119.26 118.19 1th3 h ALA 477 Ca 0.76 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 55.59 1th3 h ALA 477 Cb 2.49 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 20.49 1th3 h ALA 477 CO -0.37 -0.74 0.26 0.28 0.00 0.00 0.00 179.25 178.67 1th3 h VAL 478 N -1.11 0.71 -0.92 0.00 2.07 0.24 -1.22 116.25 116.02 1th3 h VAL 478 Ca -0.08 -0.14 0.13 0.00 0.82 0.00 0.00 66.70 67.43 1th3 h VAL 478 Cb 0.63 0.25 -0.15 0.00 -1.52 0.00 0.00 31.29 30.50 1th3 h VAL 478 CO 0.13 0.08 -0.42 0.50 0.02 0.00 0.00 177.57 177.87 1th3 h LYS 479 N 0.42 -0.04 0.31 1.57 1.63 -0.47 1.26 116.57 121.25 1th3 h LYS 479 Ca 0.36 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.16 1th3 h LYS 479 Cb 0.50 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.11 1th3 h LYS 479 CO -0.36 -0.02 -0.38 -0.91 -3.45 0.00 0.00 179.45 174.33 1th3 h ASN 480 N -0.04 -1.05 -0.74 4.20 2.35 -1.10 0.93 115.58 120.15 1th3 h ASN 480 Ca 0.29 0.10 0.14 0.00 -0.55 0.00 0.00 56.30 56.28 1th3 h ASN 480 Cb 0.56 0.36 -0.05 0.00 0.05 0.00 0.00 38.32 39.25 1th3 h ASN 480 CO -0.93 -0.51 0.49 -0.26 -1.65 0.00 0.00 177.43 174.58 1th3 h PHE 481 N -0.73 0.49 -0.15 1.19 0.04 -0.80 0.15 116.94 117.12 1th3 h PHE 481 Ca -0.01 0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.78 1th3 h PHE 481 Cb 0.68 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 1th3 h PHE 481 CO -0.24 0.20 0.08 0.77 -0.60 0.00 0.00 178.31 178.51 1th3 h SER 482 N 0.43 0.11 0.37 2.17 0.02 0.34 -2.00 113.55 115.00 1th3 h SER 482 Ca 0.36 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.31 1th3 h SER 482 Cb 0.80 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.32 1th3 h SER 482 CO -0.12 0.09 -0.03 0.44 -1.14 0.00 0.00 176.83 176.07 1th3 h ASP 483 N 0.16 0.00 0.51 3.07 3.32 0.16 0.55 116.42 124.19 1th3 h ASP 483 Ca 0.06 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.90 1th3 h ASP 483 Cb 0.01 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1th3 h ASP 483 CO -0.04 0.03 -0.94 0.58 -1.72 0.00 0.00 179.24 177.16 1th3 h VAL 484 N 0.00 1.47 0.00 -1.35 2.07 -0.70 -3.47 116.25 114.27 1th3 h VAL 484 Ca -0.00 -2.62 0.00 0.00 0.82 0.00 0.00 66.70 64.90 1th3 h VAL 484 Cb 0.23 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 1th3 h VAL 484 CO 0.00 0.77 0.00 1.57 0.02 0.00 0.00 177.57 179.93 1th3 n HIS 485 N -3.67 0.00 -0.31 1.57 -0.00 0.13 -4.43 115.22 108.50 1th3 n HIS 485 Ca -0.05 0.00 0.26 0.00 0.46 0.00 0.00 57.72 58.39 1th3 n HIS 485 Cb 0.84 0.00 0.58 0.00 -0.12 0.00 0.00 29.99 31.29 1th3 n HIS 485 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1th3 h PRO 486 N 0.00 0.27 -0.04 1.57 0.11 -1.63 -0.39 132.00 131.88 1th3 h PRO 486 Ca 0.00 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.03 1th3 h PRO 486 Cb 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.05 1th3 h PRO 486 CO 0.00 0.18 -0.22 0.93 -0.21 0.00 0.00 178.00 178.68 1th3 h GLU 487 N 0.28 0.22 0.00 1.05 5.08 -1.90 0.22 114.58 119.53 1th3 h GLU 487 Ca 0.58 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1th3 h GLU 487 Cb 1.69 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.98 1th3 h GLU 487 CO -0.21 0.84 0.00 0.98 -1.00 0.00 0.00 179.01 179.61 1th3 n TYR 488 N -4.54 0.00 -0.03 4.33 9.36 -0.22 -0.93 117.16 125.14 1th3 n TYR 488 Ca -0.09 0.00 -0.02 0.00 3.32 0.00 0.00 57.90 61.11 1th3 n TYR 488 Cb 0.45 -0.31 -0.05 0.00 -0.63 0.00 0.00 39.34 38.79 1th3 n TYR 488 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1th3 n GLY 489 N -1.23 -0.33 0.14 2.98 0.00 -0.83 -4.40 105.19 101.52 1th3 n GLY 489 Ca 0.00 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 1th3 n GLY 489 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1th3 h SER 490 N 0.00 0.62 0.27 1.61 0.02 0.79 -2.54 113.55 114.32 1th3 h SER 490 Ca -0.16 -0.83 0.01 0.00 -0.84 0.00 0.00 61.79 59.96 1th3 h SER 490 Cb 1.26 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.58 1th3 h SER 490 CO 0.01 1.39 -0.35 0.03 -1.14 0.00 0.00 176.83 176.77 1th3 h ARG 491 N -0.06 -0.65 -0.49 3.45 3.08 -1.28 0.79 114.38 119.21 1th3 h ARG 491 Ca -0.13 0.04 0.10 0.00 0.07 0.00 0.00 59.98 60.06 1th3 h ARG 491 Cb 1.59 0.15 -0.08 0.00 0.08 0.00 0.00 29.97 31.70 1th3 h ARG 491 CO 0.16 -0.43 -0.03 0.82 -1.07 0.00 0.00 179.97 179.42 1th3 h ILE 492 N -0.68 0.59 0.37 2.04 2.04 -1.77 -1.84 117.51 118.25 1th3 h ILE 492 Ca -0.00 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1th3 h ILE 492 Cb 0.64 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1th3 h ILE 492 CO -0.12 0.02 -0.44 -0.61 0.00 0.00 0.00 178.15 177.00 1th3 h GLN 493 N 0.08 -0.81 -0.86 2.37 5.75 -0.97 -1.37 115.11 119.30 1th3 h GLN 493 Ca 0.25 0.06 0.12 0.00 -0.15 0.00 0.00 58.65 58.92 1th3 h GLN 493 Cb 0.37 0.18 -0.13 0.00 1.07 0.00 0.00 27.48 28.98 1th3 h GLN 493 CO -0.44 -0.54 -0.45 0.00 -2.65 0.00 0.00 178.83 174.75 1th3 h ALA 494 N -0.52 -0.18 -0.74 3.38 0.00 -0.39 0.44 119.26 121.26 1th3 h ALA 494 Ca -0.03 0.18 0.17 0.00 0.00 0.00 0.00 54.91 55.23 1th3 h ALA 494 Cb 0.77 1.09 -0.12 0.00 0.00 0.00 0.00 17.79 19.52 1th3 h ALA 494 CO -0.11 -0.78 0.09 -0.07 0.00 0.00 0.00 179.25 178.38 1th3 h LEU 495 N -0.07 -0.18 -0.19 0.00 -0.00 -0.75 -0.99 115.31 113.13 1th3 h LEU 495 Ca 0.25 0.17 0.01 0.00 -0.00 0.00 0.00 57.88 58.31 1th3 h LEU 495 Cb 0.54 0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 41.45 1th3 h LEU 495 CO -0.88 -0.12 0.08 -0.07 -0.00 0.00 0.00 178.44 177.45 1th3 h LEU 496 N 0.17 0.11 -1.55 1.67 3.38 0.92 -1.31 115.31 118.70 1th3 h LEU 496 Ca 0.41 0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.57 1th3 h LEU 496 Cb 0.73 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.41 1th3 h LEU 496 CO -0.59 0.09 0.54 0.44 0.09 0.00 0.00 178.44 179.02 1th3 h ASP 497 N 0.18 0.40 0.05 -0.43 3.32 0.18 2.16 116.42 122.28 1th3 h ASP 497 Ca 0.08 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 1th3 h ASP 497 Cb 0.03 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1th3 h ASP 497 CO -0.07 0.19 -0.02 0.50 -1.72 0.00 0.00 179.24 178.12 1th3 h LYS 498 N 0.41 -0.06 -0.67 3.56 3.64 -1.08 -2.96 116.57 119.42 1th3 h LYS 498 Ca 0.41 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.84 1th3 h LYS 498 Cb 0.98 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.76 1th3 h LYS 498 CO -0.14 0.58 0.39 1.88 -2.27 0.00 0.00 179.45 179.89 1th3 h TYR 499 N -0.85 0.72 0.00 1.91 0.05 -0.53 -0.30 116.97 117.96 1th3 h TYR 499 Ca -0.01 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1th3 h TYR 499 Cb 0.67 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 38.18 1th3 h TYR 499 CO 0.16 0.37 0.00 0.09 -1.05 0.00 0.00 178.16 177.73 1th3 n ASN 500 N -4.75 0.00 0.00 3.88 4.13 0.72 -5.09 115.26 114.15 1th3 n ASN 500 Ca 0.08 0.22 0.00 0.00 1.68 0.00 0.00 54.58 56.56 1th3 n ASN 500 Cb 0.14 -0.29 0.00 0.00 -1.54 0.00 0.00 39.78 38.09 1th3 n ASN 500 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92