#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1th4 n ARG 4 N 0.00 2.65 -1.56 3.52 1.74 -1.26 -5.15 116.66 116.60 1th4 n ARG 4 Ca 0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 1th4 n ARG 4 Cb 0.00 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.50 1th4 n ARG 4 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1th4 s ASP 5 N 1.00 5.12 0.12 0.55 -4.77 -1.26 -4.94 116.67 112.48 1th4 s ASP 5 Ca 0.00 1.54 -0.18 0.00 -3.30 0.00 0.00 52.55 50.61 1th4 s ASP 5 Cb 0.00 -2.37 -0.04 0.00 -1.09 0.00 0.00 42.92 39.42 1th4 s ASP 5 CO 0.00 -1.60 1.68 -0.65 0.70 0.00 0.00 175.17 175.29 1th4 h PRO 6 N -0.83 0.46 -0.05 2.11 0.11 -1.94 -2.31 132.00 129.54 1th4 h PRO 6 Ca -0.45 -0.08 0.01 0.00 0.11 0.00 0.00 66.00 65.60 1th4 h PRO 6 Cb 1.23 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1th4 h PRO 6 CO 0.57 0.45 -0.17 0.00 -0.21 0.00 0.00 178.00 178.65 1th4 h ALA 7 N 0.98 -0.56 0.00 -0.75 0.00 -1.93 0.23 119.26 117.24 1th4 h ALA 7 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1th4 h ALA 7 Cb 0.16 0.73 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1th4 h ALA 7 CO -0.01 -0.62 0.18 0.66 0.00 0.00 0.00 179.25 179.46 1th4 h SER 8 N -0.17 0.00 -0.50 0.00 4.64 -1.95 0.38 113.55 115.95 1th4 h SER 8 Ca 0.01 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.22 1th4 h SER 8 Cb 0.21 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.23 1th4 h SER 8 CO -0.14 0.00 0.14 0.47 -0.87 0.00 0.00 176.83 176.43 1th4 n ASP 9 N -2.43 4.11 0.33 4.97 8.00 0.79 -4.63 116.55 127.70 1th4 n ASP 9 Ca -0.02 -2.80 -0.19 0.00 0.71 0.00 0.00 54.79 52.49 1th4 n ASP 9 Cb 0.22 -0.67 -0.10 0.00 -0.02 0.00 0.00 41.12 40.55 1th4 n ASP 9 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 1th4 h GLN 10 N 2.18 -1.02 -0.10 -1.24 -0.00 -0.72 -2.76 115.11 111.45 1th4 h GLN 10 Ca 0.14 0.07 -0.00 0.00 -0.00 0.00 0.00 58.65 58.86 1th4 h GLN 10 Cb 1.79 0.23 -0.00 0.00 0.00 0.00 0.00 27.48 29.49 1th4 h GLN 10 CO 0.48 -0.68 0.06 0.52 0.00 0.00 0.00 178.83 179.21 1th4 h MET 11 N -1.06 0.13 0.00 1.69 2.86 -1.86 -2.79 114.93 113.90 1th4 h MET 11 Ca -0.07 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1th4 h MET 11 Cb 0.90 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.53 1th4 h MET 11 CO -0.02 0.13 0.00 1.17 1.06 0.00 0.00 176.91 179.24 1th4 n LYS 12 N -5.00 0.00 -0.36 1.72 4.81 -1.18 -1.71 118.16 116.44 1th4 n LYS 12 Ca -0.05 0.55 0.05 0.00 -0.87 0.00 0.00 58.31 57.99 1th4 n LYS 12 Cb 0.05 -1.09 0.12 0.00 0.02 0.00 0.00 35.03 34.14 1th4 n LYS 12 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1th4 h HIS 13 N 0.00 -0.60 -0.88 5.64 3.86 -1.56 0.25 115.15 121.86 1th4 h HIS 13 Ca 0.00 0.09 0.21 0.00 -1.16 0.00 0.00 60.37 59.51 1th4 h HIS 13 Cb 0.00 0.42 -0.12 0.00 1.06 0.00 0.00 27.41 28.77 1th4 h HIS 13 CO -0.15 -0.42 0.38 2.35 0.86 0.00 0.00 177.93 180.95 1th4 h TRP 14 N -0.00 0.62 -0.20 2.45 7.01 -1.09 0.35 115.95 125.09 1th4 h TRP 14 Ca 0.45 0.04 -0.17 0.00 2.11 0.00 0.00 58.89 61.32 1th4 h TRP 14 Cb 0.70 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.62 1th4 h TRP 14 CO -0.78 -0.03 -0.58 -0.22 -2.79 0.00 0.00 178.44 174.05 1th4 h LYS 15 N 0.41 0.64 0.00 2.65 3.64 0.36 -0.59 116.57 123.68 1th4 h LYS 15 Ca 0.54 -0.42 -0.08 0.00 -1.27 0.00 0.00 60.65 59.42 1th4 h LYS 15 Cb 0.99 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.85 1th4 h LYS 15 CO -0.51 1.04 -0.36 0.93 -2.27 0.00 0.00 179.45 178.28 1th4 h GLU 16 N 0.49 0.00 0.17 1.90 5.08 -0.36 -1.71 114.58 120.15 1th4 h GLU 16 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 1th4 h GLU 16 Cb 1.15 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.42 1th4 h GLU 16 CO 0.11 0.36 -1.32 1.96 -1.00 0.00 0.00 179.01 179.12 1th4 h GLN 17 N 0.00 0.41 -0.66 2.33 4.20 -0.97 -3.13 115.11 117.29 1th4 h GLN 17 Ca -0.00 -0.68 0.14 0.00 0.06 0.00 0.00 58.65 58.17 1th4 h GLN 17 Cb 0.65 0.25 -0.12 0.00 0.30 0.00 0.00 27.48 28.56 1th4 h GLN 17 CO 0.05 1.32 -0.03 -0.09 -0.67 0.00 0.00 178.83 179.41 1th4 h ARG 18 N 0.13 0.09 0.00 1.46 9.65 -0.48 -3.47 114.38 121.76 1th4 h ARG 18 Ca -0.18 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.69 1th4 h ARG 18 Cb 2.03 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 30.59 1th4 h ARG 18 CO 0.23 0.06 0.00 0.00 2.80 0.00 0.00 179.97 183.06 1th4 n ALA 19 N -2.89 0.00 1.11 2.80 0.00 -0.70 -3.70 120.51 117.13 1th4 n ALA 19 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.67 1th4 n ALA 19 Cb 0.39 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.46 1th4 n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1th4 n ALA 20 N 3.58 2.26 -1.58 0.00 0.00 -1.26 -4.80 120.51 118.71 1th4 n ALA 20 Ca 0.00 -0.11 -0.48 0.00 0.00 0.00 0.00 53.44 52.85 1th4 n ALA 20 Cb 0.00 -1.42 -0.05 0.00 0.00 0.00 0.00 19.45 17.98 1th4 n ALA 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1th4 n GLN 21 N -1.36 1.74 -1.56 0.00 6.02 -1.24 -4.89 117.38 116.10 1th4 n GLN 21 Ca 0.10 0.56 -0.38 0.00 -0.01 0.00 0.00 57.00 57.27 1th4 n GLN 21 Cb 0.24 -2.73 0.04 0.00 1.02 0.00 0.00 30.24 28.81 1th4 n GLN 21 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1th4 n LYS 22 N 7.69 0.78 -0.64 -1.09 4.76 -1.26 -4.92 118.16 123.48 1th4 n LYS 22 Ca 0.31 0.30 -0.31 0.00 -2.87 0.00 0.00 58.31 55.74 1th4 n LYS 22 Cb 0.31 -1.96 0.19 0.00 -1.84 0.00 0.00 35.03 31.72 1th4 n LYS 22 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1th4 n PRO 23 N -0.52 -1.33 -3.15 1.97 -0.02 -1.26 -4.99 135.00 125.70 1th4 n PRO 23 Ca 0.13 -0.35 -0.35 0.00 -2.02 0.00 0.00 63.50 60.91 1th4 n PRO 23 Cb 0.46 -2.02 -0.06 0.00 -0.02 0.00 0.00 33.50 31.87 1th4 n PRO 23 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1th4 s ASP 24 N -2.21 6.92 0.05 2.55 1.01 -1.26 -5.00 116.67 118.73 1th4 s ASP 24 Ca 0.62 1.32 -0.30 0.00 0.71 0.00 0.00 52.55 54.90 1th4 s ASP 24 Cb -0.20 -2.38 -0.08 0.00 1.01 0.00 0.00 42.92 41.26 1th4 s ASP 24 CO 0.64 -0.05 1.65 -0.69 0.21 0.00 0.00 175.17 176.93 1th4 s VAL 25 N -1.68 3.16 -0.26 -1.27 1.01 -1.26 -4.89 120.40 115.20 1th4 s VAL 25 Ca 0.46 0.54 -0.29 0.00 0.00 0.00 0.00 61.98 62.70 1th4 s VAL 25 Cb -0.14 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 1th4 s VAL 25 CO 0.20 -0.01 1.87 -0.22 0.00 0.00 0.00 175.10 176.93 1th4 s LEU 26 N 2.87 3.62 0.57 3.92 0.20 -1.26 -4.93 118.68 123.67 1th4 s LEU 26 Ca 0.74 1.58 0.07 0.00 0.69 0.00 0.00 54.13 57.20 1th4 s LEU 26 Cb -0.38 -3.52 0.06 0.00 -0.43 0.00 0.00 46.19 41.92 1th4 s LEU 26 CO 0.32 -1.64 0.55 0.42 -0.29 0.00 0.00 176.35 175.71 1th4 s THR 27 N 6.72 1.69 0.54 3.68 -4.23 -1.26 -0.07 115.64 122.72 1th4 s THR 27 Ca 0.83 -1.33 0.08 0.00 -1.18 0.00 0.00 61.69 60.09 1th4 s THR 27 Cb -0.26 -2.02 0.06 0.00 1.34 0.00 0.00 72.50 71.61 1th4 s THR 27 CO 0.34 0.00 0.74 0.42 -0.54 0.00 0.00 174.62 175.58 1th4 s THR 28 N -2.78 2.45 0.27 3.99 -4.23 0.64 -4.79 115.64 111.20 1th4 s THR 28 Ca 0.42 -0.94 0.01 0.00 -1.18 0.00 0.00 61.69 60.00 1th4 s THR 28 Cb -0.03 -2.51 0.26 0.00 1.34 0.00 0.00 72.50 71.56 1th4 s THR 28 CO 0.27 0.00 1.72 1.23 -0.54 0.00 0.00 174.62 177.29 1th4 h GLY 29 N 0.24 1.39 0.21 3.99 0.00 -1.94 0.53 103.07 107.49 1th4 h GLY 29 Ca -0.34 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 46.81 1th4 h GLY 29 CO 0.43 -0.18 0.00 0.61 0.00 0.00 0.00 176.54 177.40 1th4 n GLY 30 N -1.33 -0.53 3.23 4.60 0.00 -1.26 -4.83 105.19 105.06 1th4 n GLY 30 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1th4 n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1th4 n GLY 31 N 0.04 2.43 3.74 -0.02 0.00 0.19 -4.99 105.19 106.57 1th4 n GLY 31 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1th4 n GLY 31 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1th4 s ASN 32 N -3.66 6.46 0.52 1.61 0.02 -1.26 -4.51 114.94 114.13 1th4 s ASN 32 Ca 0.00 2.82 -0.21 0.00 -1.02 0.00 0.00 52.86 54.45 1th4 s ASN 32 Cb 0.00 -2.62 -0.06 0.00 0.02 0.00 0.00 41.25 38.60 1th4 s ASN 32 CO 0.00 -0.88 1.21 -2.84 0.02 0.00 0.00 177.10 174.62 1th4 s PRO 33 N 0.21 3.39 -0.21 -0.60 0.02 -1.26 -0.26 135.00 136.30 1th4 s PRO 33 Ca 0.67 1.87 -0.08 0.00 0.02 0.00 0.00 61.00 63.48 1th4 s PRO 33 Cb -0.47 -2.21 -0.04 0.00 0.02 0.00 0.00 34.50 31.80 1th4 s PRO 33 CO 0.40 -0.88 0.08 0.14 -0.33 0.00 0.00 177.00 176.41 1th4 s VAL 34 N -1.53 4.71 -0.66 3.83 -7.23 0.91 -4.83 120.40 115.60 1th4 s VAL 34 Ca 0.70 -0.05 0.25 0.00 -1.81 0.00 0.00 61.98 61.07 1th4 s VAL 34 Cb -0.31 -3.15 0.30 0.00 0.56 0.00 0.00 36.38 33.77 1th4 s VAL 34 CO 0.36 0.41 1.73 1.23 -0.31 0.00 0.00 175.10 178.52 1th4 h GLY 35 N 7.26 0.00 -5.91 2.32 0.00 -1.95 -3.44 103.07 101.36 1th4 h GLY 35 Ca -0.37 0.00 0.23 0.00 0.00 0.00 0.00 47.33 47.19 1th4 h GLY 35 CO 0.65 0.00 0.02 -0.35 0.00 0.00 0.00 176.54 176.86 1th4 s ASP 36 N -4.94 -0.27 -0.38 0.19 2.15 -1.26 -5.04 116.67 107.12 1th4 s ASP 36 Ca 0.10 0.01 0.03 0.00 0.43 0.00 0.00 52.55 53.12 1th4 s ASP 36 Cb 0.11 1.08 0.55 0.00 -0.30 0.00 0.00 42.92 44.36 1th4 s ASP 36 CO 0.62 -0.05 1.78 1.17 -0.17 0.00 0.00 175.17 178.51 1th4 n LYS 37 N 4.92 2.05 0.00 4.34 4.81 -1.26 -4.17 118.16 128.85 1th4 n LYS 37 Ca 0.09 -2.51 0.00 0.00 -0.87 0.00 0.00 58.31 55.02 1th4 n LYS 37 Cb 0.59 -1.99 0.00 0.00 0.02 0.00 0.00 35.03 33.65 1th4 n LYS 37 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1th4 n LEU 38 N -0.86 0.00 -4.01 3.14 4.32 -1.26 -5.02 117.00 113.30 1th4 n LEU 38 Ca 0.50 -0.21 -0.21 0.00 -0.02 0.00 0.00 56.01 56.07 1th4 n LEU 38 Cb 1.45 0.00 -0.16 0.00 -1.62 0.00 0.00 43.42 43.10 1th4 n LEU 38 CO 0.51 0.00 -0.44 0.20 -1.22 0.00 0.00 177.39 176.44 1th4 s ASN 39 N -1.49 1.33 0.71 -1.43 0.01 -1.26 -5.15 114.94 107.66 1th4 s ASN 39 Ca 0.00 -0.21 -0.11 0.00 -0.71 0.00 0.00 52.86 51.83 1th4 s ASN 39 Cb 0.00 -0.40 0.01 0.00 0.41 0.00 0.00 41.25 41.28 1th4 s ASN 39 CO 0.00 0.06 1.10 -0.44 -1.51 0.00 0.00 177.10 176.31 1th4 s SER 40 N 0.26 5.44 -0.70 -1.22 0.01 -1.26 -4.99 113.70 111.24 1th4 s SER 40 Ca -0.05 1.13 -0.23 0.00 1.31 0.00 0.00 55.95 58.11 1th4 s SER 40 Cb -0.10 -1.93 0.06 0.00 0.21 0.00 0.00 66.02 64.26 1th4 s SER 40 CO 0.01 -1.34 1.06 -0.22 0.41 0.00 0.00 173.24 173.15 1th4 s LEU 41 N -5.36 4.12 -0.04 2.44 2.96 -1.26 -4.99 118.68 116.53 1th4 s LEU 41 Ca 0.58 -0.93 0.06 0.00 -0.22 0.00 0.00 54.13 53.63 1th4 s LEU 41 Cb -0.11 -2.45 -0.01 0.00 0.50 0.00 0.00 46.19 44.11 1th4 s LEU 41 CO 0.52 -1.52 -0.24 0.42 -1.32 0.00 0.00 176.35 174.21 1th4 s THR 42 N 4.41 1.94 -0.46 3.68 -4.23 -1.26 -1.73 115.64 117.99 1th4 s THR 42 Ca 0.26 -1.02 -0.28 0.00 -1.18 0.00 0.00 61.69 59.47 1th4 s THR 42 Cb -0.14 -1.64 0.00 0.00 1.34 0.00 0.00 72.50 72.07 1th4 s THR 42 CO 0.10 0.55 1.54 0.54 -0.54 0.00 0.00 174.62 176.80 1th4 s VAL 43 N -0.29 3.72 0.00 2.29 0.11 -0.57 -4.65 120.40 121.01 1th4 s VAL 43 Ca 0.01 0.68 0.00 0.00 -2.93 0.00 0.00 61.98 59.74 1th4 s VAL 43 Cb -0.12 -4.14 0.00 0.00 -1.53 0.00 0.00 36.38 30.59 1th4 s VAL 43 CO 0.02 -0.83 0.00 0.61 -3.33 0.00 0.00 175.10 171.57 1th4 n GLY 44 N 5.27 -0.69 0.00 6.54 0.00 -1.26 -2.59 105.19 112.46 1th4 n GLY 44 Ca 0.17 -1.61 0.09 0.00 0.00 0.00 0.00 46.02 44.67 1th4 n GLY 44 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1th4 n PRO 45 N -0.36 0.01 -0.96 1.61 -0.04 -1.26 -2.82 135.00 131.18 1th4 n PRO 45 Ca 0.00 0.20 0.03 0.00 -0.04 0.00 0.00 63.50 63.69 1th4 n PRO 45 Cb 0.00 -1.51 0.03 0.00 -0.04 0.00 0.00 33.50 31.98 1th4 n PRO 45 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1th4 n ARG 46 N -1.53 0.15 -2.51 0.54 1.74 -1.26 -5.10 116.66 108.70 1th4 n ARG 46 Ca 0.04 -1.67 -0.15 0.00 -0.77 0.00 0.00 57.85 55.30 1th4 n ARG 46 Cb 0.21 -0.37 0.06 0.00 -1.02 0.00 0.00 32.46 31.33 1th4 n ARG 46 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1th4 n GLY 47 N 0.11 1.84 3.67 -0.13 0.00 -1.07 -5.07 105.19 104.53 1th4 n GLY 47 Ca 0.05 -2.19 -0.31 0.00 0.00 0.00 0.00 46.02 43.57 1th4 n GLY 47 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1th4 s PRO 48 N -4.09 0.92 0.28 1.61 0.02 -1.25 -4.47 135.00 128.02 1th4 s PRO 48 Ca 0.48 1.53 -0.12 0.00 0.02 0.00 0.00 61.00 62.91 1th4 s PRO 48 Cb -0.04 -1.72 -0.08 0.00 0.02 0.00 0.00 34.50 32.68 1th4 s PRO 48 CO 0.31 -2.70 0.64 -1.17 -0.33 0.00 0.00 177.00 173.75 1th4 s LEU 49 N -6.65 4.11 -0.07 -5.54 2.96 -1.26 -1.51 118.68 110.73 1th4 s LEU 49 Ca 0.67 1.10 0.02 0.00 -0.22 0.00 0.00 54.13 55.70 1th4 s LEU 49 Cb -0.23 -3.88 -0.03 0.00 0.50 0.00 0.00 46.19 42.55 1th4 s LEU 49 CO 0.58 -0.14 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.61 1th4 s LEU 50 N -2.92 2.97 0.29 -0.68 1.43 -0.71 -4.93 118.68 114.14 1th4 s LEU 50 Ca 0.51 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.51 1th4 s LEU 50 Cb -0.11 -1.63 0.56 0.00 0.03 0.00 0.00 46.19 45.04 1th4 s LEU 50 CO 0.19 0.34 1.84 0.58 0.23 0.00 0.00 176.35 179.53 1th4 h VAL 51 N 4.38 0.92 0.00 -1.59 2.07 -1.98 -0.87 116.25 119.18 1th4 h VAL 51 Ca -0.46 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1th4 h VAL 51 Cb 1.17 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1th4 h VAL 51 CO 0.52 0.18 0.10 1.67 0.02 0.00 0.00 177.57 180.06 1th4 n GLN 52 N -4.61 0.00 -2.26 1.57 7.27 -1.26 -3.82 117.38 114.27 1th4 n GLN 52 Ca 0.19 0.13 -0.42 0.00 0.07 0.00 0.00 57.00 56.97 1th4 n GLN 52 Cb 0.35 -1.60 0.00 0.00 2.41 0.00 0.00 30.24 31.41 1th4 n GLN 52 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1th4 n ASP 53 N -1.02 5.72 0.00 1.69 -0.08 -0.33 -4.74 116.55 117.79 1th4 n ASP 53 Ca 0.00 -3.12 0.00 0.00 -1.51 0.00 0.00 54.79 50.16 1th4 n ASP 53 Cb 0.10 -1.45 0.01 0.00 2.34 0.00 0.00 41.12 42.11 1th4 n ASP 53 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1th4 n VAL 54 N 2.98 1.03 0.04 5.18 0.24 -1.25 -1.73 118.33 124.82 1th4 n VAL 54 Ca 0.44 0.26 -0.03 0.00 -2.04 0.00 0.00 64.34 62.97 1th4 n VAL 54 Cb 0.34 -1.25 -0.01 0.00 -1.47 0.00 0.00 33.84 31.45 1th4 n VAL 54 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1th4 h VAL 55 N 0.00 0.00 -0.18 3.34 2.07 -1.93 -1.46 116.25 118.09 1th4 h VAL 55 Ca 0.00 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 66.96 1th4 h VAL 55 Cb 0.00 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.71 1th4 h VAL 55 CO 0.00 0.00 -0.47 0.15 0.02 0.00 0.00 177.57 177.27 1th4 h PHE 56 N -0.77 -1.43 -0.40 1.57 3.57 -1.75 -1.25 116.94 116.49 1th4 h PHE 56 Ca -0.02 0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.62 1th4 h PHE 56 Cb 0.13 0.65 -0.07 0.00 2.79 0.00 0.00 35.95 39.44 1th4 h PHE 56 CO 0.01 -0.46 -0.08 1.15 -2.23 0.00 0.00 178.31 176.70 1th4 h THR 57 N -0.46 0.61 -0.01 4.41 2.02 -1.61 0.95 112.91 118.83 1th4 h THR 57 Ca 0.04 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.22 1th4 h THR 57 Cb 0.57 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1th4 h THR 57 CO -0.42 0.00 -0.10 -0.78 0.37 0.00 0.00 175.52 174.60 1th4 h ASP 58 N 0.02 -0.31 0.00 4.18 3.58 -0.55 -1.08 116.42 122.25 1th4 h ASP 58 Ca 0.19 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.68 1th4 h ASP 58 Cb 0.29 0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.46 1th4 h ASP 58 CO -0.40 -0.09 0.00 1.21 -2.88 0.00 0.00 179.24 177.08 1th4 n GLU 59 N -3.07 0.00 -0.16 0.28 2.13 -0.54 -2.29 120.64 116.98 1th4 n GLU 59 Ca -0.01 0.42 0.03 0.00 0.66 0.00 0.00 57.16 58.25 1th4 n GLU 59 Cb 0.07 -1.11 0.07 0.00 0.27 0.00 0.00 31.44 30.74 1th4 n GLU 59 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 1th4 n MET 60 N -1.20 -0.04 0.02 5.31 1.56 0.29 0.83 117.12 123.89 1th4 n MET 60 Ca 0.00 0.71 -0.10 0.00 -0.27 0.00 0.00 57.70 58.04 1th4 n MET 60 Cb 0.00 -1.07 -0.04 0.00 2.15 0.00 0.00 33.22 34.27 1th4 n MET 60 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1th4 h ALA 61 N 0.91 -0.12 -0.17 -5.12 0.00 -0.76 -0.47 119.26 113.54 1th4 h ALA 61 Ca 0.22 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1th4 h ALA 61 Cb 0.35 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1th4 h ALA 61 CO -0.47 -0.62 0.07 1.25 0.00 0.00 0.00 179.25 179.49 1th4 h HIS 62 N -0.21 0.22 -0.63 0.00 6.17 0.72 0.03 115.15 121.45 1th4 h HIS 62 Ca 0.07 0.00 -0.05 0.00 0.71 0.00 0.00 60.37 61.10 1th4 h HIS 62 Cb 0.31 -0.07 -0.03 0.00 2.52 0.00 0.00 27.41 30.14 1th4 h HIS 62 CO -0.24 0.18 0.19 0.35 0.71 0.00 0.00 177.93 179.12 1th4 h PHE 63 N 0.23 0.99 0.00 5.26 3.57 -0.70 -2.31 116.94 123.98 1th4 h PHE 63 Ca 0.06 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1th4 h PHE 63 Cb 0.04 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.49 1th4 h PHE 63 CO 0.00 0.80 0.00 -0.25 -2.23 0.00 0.00 178.31 176.63 1th4 n ASP 64 N -4.27 0.33 -0.09 0.41 8.00 -0.02 -2.47 116.55 118.44 1th4 n ASP 64 Ca 0.05 0.60 0.07 0.00 0.71 0.00 0.00 54.79 56.22 1th4 n ASP 64 Cb 0.22 -0.66 0.10 0.00 -0.02 0.00 0.00 41.12 40.75 1th4 n ASP 64 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1th4 n ARG 65 N -1.89 1.48 0.26 -1.24 1.74 -0.89 -4.77 116.66 111.35 1th4 n ARG 65 Ca 0.02 -2.16 0.11 0.00 -0.77 0.00 0.00 57.85 55.04 1th4 n ARG 65 Cb 0.14 -1.28 0.68 0.00 -1.02 0.00 0.00 32.46 30.98 1th4 n ARG 65 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1th4 h GLU 66 N 0.00 0.00 -5.37 5.56 5.08 -1.24 -3.44 114.58 115.17 1th4 h GLU 66 Ca 0.00 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.75 1th4 h GLU 66 Cb 0.93 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.08 1th4 h GLU 66 CO 0.00 0.13 -0.47 1.03 -1.00 0.00 0.00 179.01 178.70 1th4 s ARG 67 N -4.32 4.04 0.22 2.33 1.81 -1.26 -5.09 118.95 116.67 1th4 s ARG 67 Ca -0.03 -0.17 0.08 0.00 -1.72 0.00 0.00 55.73 53.90 1th4 s ARG 67 Cb 0.14 -3.37 -0.04 0.00 -0.45 0.00 0.00 34.95 31.23 1th4 s ARG 67 CO 0.61 0.40 -0.00 0.96 -0.68 0.00 0.00 175.30 176.58 1th4 s ILE 68 N 0.07 3.57 0.25 1.52 -4.36 -1.26 -5.07 121.20 115.93 1th4 s ILE 68 Ca 0.10 -1.66 -0.31 0.00 -0.26 0.00 0.00 60.65 58.53 1th4 s ILE 68 Cb -0.11 -2.85 -0.11 0.00 1.25 0.00 0.00 42.46 40.63 1th4 s ILE 68 CO -0.00 -0.24 1.61 -2.84 0.24 0.00 0.00 174.94 173.71 1th4 s PRO 69 N -3.29 4.15 0.84 0.37 0.02 -1.26 -4.95 135.00 130.88 1th4 s PRO 69 Ca 0.29 2.53 -0.11 0.00 0.02 0.00 0.00 61.00 63.74 1th4 s PRO 69 Cb -0.08 -3.06 0.10 0.00 0.02 0.00 0.00 34.50 31.48 1th4 s PRO 69 CO 0.19 -0.64 1.13 -1.83 -0.33 0.00 0.00 177.00 175.52 1th4 s GLU 70 N 0.14 1.62 0.41 5.54 -1.05 -1.26 -4.90 118.70 119.21 1th4 s GLU 70 Ca 0.67 1.42 -0.25 0.00 -0.15 0.00 0.00 54.97 56.65 1th4 s GLU 70 Cb -0.47 -1.81 -0.10 0.00 -0.44 0.00 0.00 34.13 31.31 1th4 s GLU 70 CO 0.41 -2.16 1.20 0.54 0.95 0.00 0.00 175.26 176.21 1th4 n ARG 71 N -3.79 1.78 -0.31 -4.83 1.74 -1.26 -4.87 116.66 105.12 1th4 n ARG 71 Ca 0.11 0.63 0.07 0.00 -0.77 0.00 0.00 57.85 57.89 1th4 n ARG 71 Cb 0.52 -2.28 0.22 0.00 -1.02 0.00 0.00 32.46 29.90 1th4 n ARG 71 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 1th4 h VAL 72 N 1.97 0.81 -3.95 1.55 3.04 -1.99 -3.38 116.25 114.30 1th4 h VAL 72 Ca -0.47 -0.26 -0.23 0.00 -1.01 0.00 0.00 66.70 64.73 1th4 h VAL 72 Cb 1.31 -0.01 -0.19 0.00 -2.01 0.00 0.00 31.29 30.39 1th4 h VAL 72 CO 0.59 0.14 -0.72 0.68 -1.01 0.00 0.00 177.57 177.25 1th4 s VAL 73 N -5.97 0.49 -1.00 1.51 -7.23 -1.26 -4.84 120.40 102.10 1th4 s VAL 73 Ca -0.12 -1.32 -0.03 0.00 -1.81 0.00 0.00 61.98 58.71 1th4 s VAL 73 Cb 0.21 -0.89 0.00 0.00 0.56 0.00 0.00 36.38 36.27 1th4 s VAL 73 CO 0.79 -0.56 0.85 1.41 -0.31 0.00 0.00 175.10 177.27 1th4 n HIS 74 N 1.02 -1.94 0.10 2.82 -0.00 0.74 -4.93 115.22 113.01 1th4 n HIS 74 Ca -0.20 0.77 -0.04 0.00 -0.00 0.00 0.00 57.72 58.25 1th4 n HIS 74 Cb 0.57 -4.37 0.14 0.00 -0.00 0.00 0.00 29.99 26.32 1th4 n HIS 74 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1th4 h ALA 75 N 0.75 0.89 -2.67 -1.41 0.00 -1.74 -3.44 119.26 111.64 1th4 h ALA 75 Ca -0.46 -0.54 -0.63 0.00 0.00 0.00 0.00 54.91 53.28 1th4 h ALA 75 Cb 1.28 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 1th4 h ALA 75 CO 0.41 0.73 -0.30 0.21 0.00 0.00 0.00 179.25 180.30 1th4 s LYS 76 N -3.75 3.74 0.00 0.00 2.20 -1.25 -4.54 119.74 116.14 1th4 s LYS 76 Ca -0.03 0.21 0.00 0.00 -0.36 0.00 0.00 55.97 55.78 1th4 s LYS 76 Cb 0.12 -3.19 0.00 0.00 -1.51 0.00 0.00 37.83 33.25 1th4 s LYS 76 CO 0.79 0.71 0.00 0.41 -0.36 0.00 0.00 175.35 176.90 1th4 n GLY 77 N 1.78 -1.25 3.10 5.54 0.00 -1.26 -2.00 105.19 111.09 1th4 n GLY 77 Ca -0.15 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 44.92 1th4 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1th4 s ALA 78 N -1.00 0.05 0.03 4.61 0.00 -0.24 -4.89 121.76 120.33 1th4 s ALA 78 Ca 0.00 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.29 1th4 s ALA 78 Cb 0.00 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.34 1th4 s ALA 78 CO 0.00 -0.31 -0.05 0.20 0.00 0.00 0.00 175.76 175.60 1th4 s GLY 79 N -2.20 0.36 0.02 0.00 0.00 -1.26 -0.83 107.32 103.41 1th4 s GLY 79 Ca -0.04 -0.70 -0.20 0.00 0.00 0.00 0.00 44.72 43.78 1th4 s GLY 79 CO -0.05 -0.77 0.44 0.00 0.00 0.00 0.00 173.10 172.72 1th4 s ALA 80 N -1.63 -1.10 0.37 3.20 0.00 -0.60 -4.21 121.76 117.79 1th4 s ALA 80 Ca -0.12 0.48 0.08 0.00 0.00 0.00 0.00 51.96 52.40 1th4 s ALA 80 Cb -0.09 0.25 -0.05 0.00 0.00 0.00 0.00 23.12 23.23 1th4 s ALA 80 CO -0.01 -0.41 0.15 -0.06 0.00 0.00 0.00 175.76 175.43 1th4 s PHE 81 N -2.05 2.65 0.00 0.00 0.08 -0.98 -1.24 117.98 116.44 1th4 s PHE 81 Ca -0.08 -0.47 0.00 0.00 0.12 0.00 0.00 56.93 56.50 1th4 s PHE 81 Cb -0.02 -1.77 0.00 0.00 -0.57 0.00 0.00 43.02 40.67 1th4 s PHE 81 CO 0.01 0.27 0.00 0.41 -0.10 0.00 0.00 175.22 175.81 1th4 n GLY 82 N -1.18 -0.87 3.45 4.36 0.00 -0.99 -1.53 105.19 108.43 1th4 n GLY 82 Ca -0.02 0.09 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 1th4 n GLY 82 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1th4 n TYR 83 N 0.00 -1.40 -4.12 1.61 0.18 -0.86 -1.38 117.16 111.19 1th4 n TYR 83 Ca 0.00 -2.48 -0.16 0.00 1.88 0.00 0.00 57.90 57.14 1th4 n TYR 83 Cb 0.00 0.54 -0.15 0.00 -0.38 0.00 0.00 39.34 39.35 1th4 n TYR 83 CO 0.00 0.00 0.00 0.12 -2.08 0.00 0.00 176.86 174.90 1th4 s PHE 84 N -2.92 0.43 0.19 -3.48 5.36 -0.48 -2.20 117.98 114.88 1th4 s PHE 84 Ca 0.31 -0.08 0.11 0.00 -0.96 0.00 0.00 56.93 56.31 1th4 s PHE 84 Cb -0.01 -0.30 -0.04 0.00 -0.34 0.00 0.00 43.02 42.33 1th4 s PHE 84 CO 0.22 -0.03 -0.19 -2.00 -1.46 0.00 0.00 175.22 171.76 1th4 s GLU 85 N 0.04 1.69 -0.85 10.12 2.12 0.07 -0.97 118.70 130.92 1th4 s GLU 85 Ca 0.00 -1.46 -0.08 0.00 0.36 0.00 0.00 54.97 53.78 1th4 s GLU 85 Cb -0.04 -1.94 0.22 0.00 0.26 0.00 0.00 34.13 32.64 1th4 s GLU 85 CO -0.00 0.41 0.76 0.08 -0.54 0.00 0.00 175.26 175.96 1th4 s VAL 86 N -1.73 5.02 -1.82 3.70 1.01 -0.68 -0.85 120.40 125.06 1th4 s VAL 86 Ca 0.23 -3.03 0.29 0.00 0.00 0.00 0.00 61.98 59.47 1th4 s VAL 86 Cb -0.08 -4.11 0.74 0.00 0.00 0.00 0.00 36.38 32.92 1th4 s VAL 86 CO 0.12 -1.04 2.07 0.35 0.00 0.00 0.00 175.10 176.61 1th4 n THR 87 N 3.31 0.02 -3.88 3.92 -2.24 -1.13 0.08 114.28 114.36 1th4 n THR 87 Ca 0.16 0.01 -0.09 0.00 -2.27 0.00 0.00 64.05 61.85 1th4 n THR 87 Cb 0.41 -0.54 -0.06 0.00 -2.10 0.00 0.00 70.33 68.05 1th4 n THR 87 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1th4 s HIS 88 N -2.18 0.21 -0.47 4.78 3.76 -0.29 -4.95 115.29 116.15 1th4 s HIS 88 Ca 0.39 -0.57 -0.10 0.00 -0.15 0.00 0.00 55.06 54.63 1th4 s HIS 88 Cb 0.20 0.12 0.11 0.00 1.11 0.00 0.00 32.58 34.12 1th4 s HIS 88 CO 0.37 -0.81 0.35 0.34 -0.85 0.00 0.00 174.74 174.14 1th4 s ASP 89 N -2.94 5.75 -0.21 1.40 -1.08 -1.26 -4.35 116.67 113.98 1th4 s ASP 89 Ca 0.15 -1.81 0.15 0.00 -0.52 0.00 0.00 52.55 50.52 1th4 s ASP 89 Cb 0.01 -2.03 0.55 0.00 -1.46 0.00 0.00 42.92 39.99 1th4 s ASP 89 CO -0.00 -0.68 1.47 2.30 0.52 0.00 0.00 175.17 178.77 1th4 n ILE 90 N 4.95 2.40 0.86 4.11 -6.64 -1.26 -4.65 119.36 119.13 1th4 n ILE 90 Ca -0.09 -1.99 0.06 0.00 -1.77 0.00 0.00 62.75 58.96 1th4 n ILE 90 Cb 0.41 -0.28 0.33 0.00 -1.44 0.00 0.00 39.64 38.67 1th4 n ILE 90 CO 0.00 0.00 0.00 0.35 -1.77 0.00 0.00 176.55 175.13 1th4 n THR 91 N -0.56 0.00 0.13 7.28 -2.24 -1.26 -2.62 114.28 115.01 1th4 n THR 91 Ca 0.25 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.06 1th4 n THR 91 Cb 0.97 -0.69 0.02 0.00 -2.10 0.00 0.00 70.33 68.52 1th4 n THR 91 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 1th4 h ARG 92 N 0.00 0.00 0.00 -0.78 0.11 -2.00 -3.40 114.38 108.31 1th4 h ARG 92 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1th4 h ARG 92 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1th4 h ARG 92 CO 0.00 0.45 -0.73 0.66 0.10 0.00 0.00 179.97 180.45 1th4 n TYR 93 N -3.17 0.00 -3.95 4.08 4.01 -1.08 -4.78 117.16 112.27 1th4 n TYR 93 Ca 0.01 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.40 1th4 n TYR 93 Cb 0.74 -0.36 -0.10 0.00 -0.31 0.00 0.00 39.34 39.31 1th4 n TYR 93 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1th4 s SER 94 N -5.60 5.68 -0.09 7.72 0.15 -1.21 0.00 113.70 120.34 1th4 s SER 94 Ca -0.21 0.08 0.14 0.00 0.70 0.00 0.00 55.95 56.66 1th4 s SER 94 Cb 0.03 -1.98 0.58 0.00 -1.71 0.00 0.00 66.02 62.94 1th4 s SER 94 CO 0.31 0.16 1.45 2.29 1.20 0.00 0.00 173.24 178.65 1th4 n LYS 95 N 3.64 3.19 -1.75 5.44 2.85 0.26 -4.26 118.16 127.53 1th4 n LYS 95 Ca -0.16 -2.28 -0.42 0.00 -1.05 0.00 0.00 58.31 54.41 1th4 n LYS 95 Cb 0.52 -1.77 -0.01 0.00 -0.65 0.00 0.00 35.03 33.12 1th4 n LYS 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1th4 n ALA 96 N 0.85 2.31 0.20 0.58 0.00 -1.26 -4.85 120.51 118.35 1th4 n ALA 96 Ca 0.21 0.36 0.10 0.00 0.00 0.00 0.00 53.44 54.11 1th4 n ALA 96 Cb 0.74 -2.42 0.52 0.00 0.00 0.00 0.00 19.45 18.29 1th4 n ALA 96 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1th4 n LYS 97 N 1.11 0.14 0.00 0.00 5.02 -1.26 -0.97 118.16 122.20 1th4 n LYS 97 Ca 0.04 0.58 0.14 0.00 -2.02 0.00 0.00 58.31 57.05 1th4 n LYS 97 Cb 0.38 -1.90 0.81 0.00 -0.02 0.00 0.00 35.03 34.29 1th4 n LYS 97 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1th4 n VAL 98 N -2.19 0.00 -0.18 -0.18 3.14 -1.26 -2.50 118.33 115.16 1th4 n VAL 98 Ca -0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 1th4 n VAL 98 Cb 0.07 -0.48 0.00 0.00 -1.06 0.00 0.00 33.84 32.37 1th4 n VAL 98 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 1th4 n PHE 99 N -0.95 0.00 0.00 1.45 3.72 -0.14 -4.93 117.46 116.61 1th4 n PHE 99 Ca 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.60 1th4 n PHE 99 Cb 0.09 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 1th4 n PHE 99 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1th4 n GLU 100 N -0.33 0.00 -4.19 -1.08 1.02 -1.04 -4.50 120.64 110.53 1th4 n GLU 100 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.98 1th4 n GLU 100 Cb 0.05 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.33 1th4 n GLU 100 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 1th4 s HIS 101 N -1.01 0.69 0.15 -0.32 -3.43 -1.26 -4.86 115.29 105.25 1th4 s HIS 101 Ca 0.00 -0.27 -0.34 0.00 -0.80 0.00 0.00 55.06 53.65 1th4 s HIS 101 Cb 0.00 -0.43 -0.16 0.00 -1.43 0.00 0.00 32.58 30.56 1th4 s HIS 101 CO 0.00 -0.03 1.22 -0.89 -2.00 0.00 0.00 174.74 173.04 1th4 n ILE 102 N 2.31 0.63 0.00 -5.38 5.41 -1.26 -1.45 119.36 119.62 1th4 n ILE 102 Ca -0.17 -0.16 0.00 0.00 1.00 0.00 0.00 62.75 63.42 1th4 n ILE 102 Cb 0.56 -0.85 0.00 0.00 -0.71 0.00 0.00 39.64 38.65 1th4 n ILE 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1th4 n GLY 103 N 2.17 2.75 3.73 7.39 0.00 0.11 -4.97 105.19 116.36 1th4 n GLY 103 Ca 0.16 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 45.07 1th4 n GLY 103 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1th4 n LYS 104 N 0.00 1.84 -4.61 1.61 4.81 -0.53 -4.50 118.16 116.78 1th4 n LYS 104 Ca 0.00 0.67 -0.26 0.00 -0.87 0.00 0.00 58.31 57.85 1th4 n LYS 104 Cb 0.00 -2.51 -0.14 0.00 0.02 0.00 0.00 35.03 32.40 1th4 n LYS 104 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1th4 s ARG 105 N -2.59 1.37 -0.13 1.64 0.52 -1.26 -1.68 118.95 116.83 1th4 s ARG 105 Ca 0.66 -0.98 -0.00 0.00 -0.52 0.00 0.00 55.73 54.89 1th4 s ARG 105 Cb -0.45 -1.51 0.03 0.00 0.52 0.00 0.00 34.95 33.54 1th4 s ARG 105 CO 0.53 0.38 -0.08 0.99 0.02 0.00 0.00 175.30 177.15 1th4 s THR 106 N -0.85 1.08 0.16 0.02 2.01 -0.14 -4.92 115.64 112.99 1th4 s THR 106 Ca 0.08 -0.37 -0.34 0.00 0.31 0.00 0.00 61.69 61.36 1th4 s THR 106 Cb -0.09 -1.12 -0.15 0.00 0.01 0.00 0.00 72.50 71.16 1th4 s THR 106 CO 0.02 0.33 1.48 -0.81 -0.69 0.00 0.00 174.62 174.95 1th4 n PRO 107 N 4.92 1.86 -4.42 4.92 -0.04 -1.26 -1.39 135.00 139.60 1th4 n PRO 107 Ca -0.13 0.67 -0.27 0.00 -0.04 0.00 0.00 63.50 63.74 1th4 n PRO 107 Cb 0.50 -2.38 -0.09 0.00 -0.04 0.00 0.00 33.50 31.48 1th4 n PRO 107 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1th4 s ILE 108 N 0.63 2.08 -0.12 0.52 -4.36 -0.48 -0.58 121.20 118.89 1th4 s ILE 108 Ca 0.78 -1.87 -0.07 0.00 -0.26 0.00 0.00 60.65 59.24 1th4 s ILE 108 Cb -0.75 -2.95 0.05 0.00 1.25 0.00 0.00 42.46 40.06 1th4 s ILE 108 CO 0.42 0.00 0.29 0.00 0.24 0.00 0.00 174.94 175.89 1th4 s ALA 109 N -2.67 -0.70 0.02 2.27 0.00 0.36 -2.34 121.76 118.71 1th4 s ALA 109 Ca 0.36 1.11 0.03 0.00 0.00 0.00 0.00 51.96 53.47 1th4 s ALA 109 Cb 0.07 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 1th4 s ALA 109 CO 0.19 -0.21 -0.10 0.08 0.00 0.00 0.00 175.76 175.73 1th4 s VAL 110 N 1.19 0.74 -0.09 0.00 1.01 -0.37 0.46 120.40 123.34 1th4 s VAL 110 Ca -0.08 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 1th4 s VAL 110 Cb -0.09 -0.70 0.03 0.00 0.00 0.00 0.00 36.38 35.63 1th4 s VAL 110 CO -0.09 -0.06 -0.00 -0.60 0.00 0.00 0.00 175.10 174.35 1th4 s ARG 111 N -0.93 0.70 0.15 2.72 3.52 -1.01 -1.56 118.95 122.54 1th4 s ARG 111 Ca -0.01 -0.00 -0.12 0.00 -0.13 0.00 0.00 55.73 55.46 1th4 s ARG 111 Cb -0.07 -1.19 -0.07 0.00 -1.56 0.00 0.00 34.95 32.06 1th4 s ARG 111 CO 0.00 -0.35 0.52 -0.06 -0.81 0.00 0.00 175.30 174.60 1th4 s PHE 112 N 1.93 3.56 0.21 5.12 0.08 -0.01 -2.60 117.98 126.29 1th4 s PHE 112 Ca 0.04 0.96 -0.21 0.00 0.12 0.00 0.00 56.93 57.84 1th4 s PHE 112 Cb -0.13 -2.30 0.04 0.00 -0.57 0.00 0.00 43.02 40.06 1th4 s PHE 112 CO -0.06 0.42 0.62 -1.54 -0.10 0.00 0.00 175.22 174.56 1th4 s SER 113 N -1.87 -0.37 0.06 1.36 1.04 -0.63 -1.07 113.70 112.22 1th4 s SER 113 Ca 0.39 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.46 1th4 s SER 113 Cb -0.14 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1th4 s SER 113 CO 0.19 -1.13 0.00 0.41 0.98 0.00 0.00 173.24 173.69 1th4 n THR 114 N -0.40 0.00 0.00 2.02 -1.04 -0.85 0.17 114.28 114.18 1th4 n THR 114 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 1th4 n THR 114 Cb 0.62 -1.70 0.00 0.00 -1.82 0.00 0.00 70.33 67.43 1th4 n THR 114 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1th4 n VAL 115 N -0.14 0.06 -0.02 12.58 0.31 -1.26 -3.98 118.33 125.87 1th4 n VAL 115 Ca 0.00 0.02 -0.02 0.00 -0.01 0.00 0.00 64.34 64.33 1th4 n VAL 115 Cb 0.00 -1.39 -0.01 0.00 -0.91 0.00 0.00 33.84 31.53 1th4 n VAL 115 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1th4 n ALA 116 N -2.97 0.18 -1.44 3.52 0.00 -1.26 -0.19 120.51 118.34 1th4 n ALA 116 Ca 0.00 -0.27 -0.50 0.00 0.00 0.00 0.00 53.44 52.67 1th4 n ALA 116 Cb 0.42 0.01 -0.04 0.00 0.00 0.00 0.00 19.45 19.84 1th4 n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1th4 n GLY 117 N 1.66 -1.27 3.56 0.00 0.00 -1.26 -4.62 105.19 103.26 1th4 n GLY 117 Ca -0.03 0.43 -0.30 0.00 0.00 0.00 0.00 46.02 46.12 1th4 n GLY 117 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1th4 n GLU 118 N 1.12 -2.90 0.11 1.61 4.71 -1.26 -3.96 120.64 120.06 1th4 n GLU 118 Ca 0.18 -1.80 0.16 0.00 -0.01 0.00 0.00 57.16 55.69 1th4 n GLU 118 Cb 0.22 -1.61 0.46 0.00 -1.01 0.00 0.00 31.44 29.51 1th4 n GLU 118 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 1th4 h SER 119 N -2.60 0.00 0.02 1.62 0.02 -1.94 -1.42 113.55 109.25 1th4 h SER 119 Ca -0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 1th4 h SER 119 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 1th4 h SER 119 CO 0.27 0.00 -0.59 0.61 -1.14 0.00 0.00 176.83 175.98 1th4 n GLY 120 N -1.51 -0.29 0.00 -3.77 0.00 -1.26 -4.81 105.19 93.55 1th4 n GLY 120 Ca 0.08 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1th4 n GLY 120 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1th4 n SER 121 N -0.46 -1.47 -4.29 1.61 3.41 -0.54 -5.03 113.62 106.85 1th4 n SER 121 Ca 0.08 -0.06 -0.32 0.00 -0.26 0.00 0.00 58.87 58.31 1th4 n SER 121 Cb 0.42 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.21 1th4 n SER 121 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1th4 s ALA 122 N -2.15 2.31 0.14 7.33 0.00 -1.26 -4.78 121.76 123.35 1th4 s ALA 122 Ca 0.00 -0.98 -0.22 0.00 0.00 0.00 0.00 51.96 50.76 1th4 s ALA 122 Cb 0.00 -0.87 0.01 0.00 0.00 0.00 0.00 23.12 22.26 1th4 s ALA 122 CO 0.00 0.34 1.65 -0.44 0.00 0.00 0.00 175.76 177.31 1th4 h ASP 123 N 6.40 -0.64 0.00 0.00 3.32 -1.33 -3.29 116.42 120.88 1th4 h ASP 123 Ca -0.27 0.12 -0.42 0.00 0.02 0.00 0.00 57.03 56.48 1th4 h ASP 123 Cb 1.21 0.30 0.03 0.00 0.22 0.00 0.00 39.33 41.09 1th4 h ASP 123 CO 0.49 -0.25 2.36 0.35 -1.72 0.00 0.00 179.24 180.47 1th4 n THR 124 N -5.35 2.00 -4.00 0.35 -2.24 -1.26 -4.80 114.28 98.98 1th4 n THR 124 Ca -0.02 -1.33 -0.09 0.00 -2.27 0.00 0.00 64.05 60.35 1th4 n THR 124 Cb 0.26 -2.12 -0.11 0.00 -2.10 0.00 0.00 70.33 66.26 1th4 n THR 124 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1th4 s VAL 125 N 4.05 0.18 0.17 2.28 -7.23 -1.24 -4.25 120.40 114.35 1th4 s VAL 125 Ca 0.41 -1.04 -0.32 0.00 -1.81 0.00 0.00 61.98 59.23 1th4 s VAL 125 Cb 0.10 -0.45 -0.11 0.00 0.56 0.00 0.00 36.38 36.48 1th4 s VAL 125 CO 0.02 -0.55 1.68 -0.60 -0.31 0.00 0.00 175.10 175.34 1th4 s ARG 126 N -1.77 4.16 0.00 4.82 3.52 -1.26 -4.72 118.95 123.71 1th4 s ARG 126 Ca -0.13 2.51 0.00 0.00 -0.13 0.00 0.00 55.73 57.98 1th4 s ARG 126 Cb -0.08 -3.20 0.00 0.00 -1.56 0.00 0.00 34.95 30.11 1th4 s ARG 126 CO -0.02 -0.71 0.00 -3.47 -0.81 0.00 0.00 175.30 170.29 1th4 n ASP 127 N 4.29 0.00 -3.09 -2.12 2.03 -0.70 -5.03 116.55 111.93 1th4 n ASP 127 Ca 0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.46 1th4 n ASP 127 Cb 0.37 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 1th4 n ASP 127 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1th4 n PRO 128 N -0.37 -0.65 -3.74 -0.67 -0.02 -1.26 -4.69 135.00 123.60 1th4 n PRO 128 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 1th4 n PRO 128 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 33.50 33.37 1th4 n PRO 128 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1th4 s ARG 129 N -1.98 0.35 0.01 -0.52 1.81 -1.26 -4.39 118.95 112.98 1th4 s ARG 129 Ca 0.00 0.53 -0.27 0.00 -1.72 0.00 0.00 55.73 54.27 1th4 s ARG 129 Cb 0.00 0.09 -0.04 0.00 -0.45 0.00 0.00 34.95 34.55 1th4 s ARG 129 CO 0.00 -0.09 0.86 0.20 -0.68 0.00 0.00 175.30 175.60 1th4 s GLY 130 N 0.59 2.83 -0.44 -3.53 0.00 0.44 -2.19 107.32 105.02 1th4 s GLY 130 Ca -0.03 0.39 0.03 0.00 0.00 0.00 0.00 44.72 45.11 1th4 s GLY 130 CO -0.04 1.40 0.33 -0.12 0.00 0.00 0.00 173.10 174.68 1th4 s PHE 131 N 0.58 1.38 -0.14 1.90 2.19 0.24 -1.61 117.98 122.52 1th4 s PHE 131 Ca 0.45 -2.35 -0.19 0.00 0.33 0.00 0.00 56.93 55.17 1th4 s PHE 131 Cb -0.20 -1.19 -0.04 0.00 -1.31 0.00 0.00 43.02 40.28 1th4 s PHE 131 CO 0.25 -0.79 0.51 0.00 1.83 0.00 0.00 175.22 177.02 1th4 s ALA 132 N 0.04 3.48 -0.32 11.12 0.00 -1.07 -0.62 121.76 134.39 1th4 s ALA 132 Ca 0.29 -0.22 0.03 0.00 0.00 0.00 0.00 51.96 52.06 1th4 s ALA 132 Cb -0.03 -2.73 0.09 0.00 0.00 0.00 0.00 23.12 20.45 1th4 s ALA 132 CO -0.15 -0.15 0.02 0.08 0.00 0.00 0.00 175.76 175.55 1th4 s VAL 133 N 0.97 2.30 -0.35 0.00 1.01 -0.09 -2.40 120.40 121.84 1th4 s VAL 133 Ca 0.27 -2.17 -0.17 0.00 0.00 0.00 0.00 61.98 59.90 1th4 s VAL 133 Cb -0.15 -2.62 -0.00 0.00 0.00 0.00 0.00 36.38 33.60 1th4 s VAL 133 CO 0.11 -0.47 0.46 -0.75 0.00 0.00 0.00 175.10 174.45 1th4 s LYS 134 N 0.96 3.56 -0.15 2.72 2.20 0.17 -1.76 119.74 127.44 1th4 s LYS 134 Ca 0.06 -0.29 -0.15 0.00 -0.36 0.00 0.00 55.97 55.23 1th4 s LYS 134 Cb -0.19 -3.82 -0.04 0.00 -1.51 0.00 0.00 37.83 32.26 1th4 s LYS 134 CO -0.07 -0.63 0.36 -0.06 -0.36 0.00 0.00 175.35 174.59 1th4 s PHE 135 N 2.27 3.47 -1.00 4.03 0.40 -0.20 -0.49 117.98 126.45 1th4 s PHE 135 Ca 0.16 0.69 -0.12 0.00 -0.60 0.00 0.00 56.93 57.06 1th4 s PHE 135 Cb -0.16 -2.43 0.23 0.00 0.51 0.00 0.00 43.02 41.18 1th4 s PHE 135 CO 0.13 0.19 1.02 0.71 0.70 0.00 0.00 175.22 177.97 1th4 s TYR 136 N 0.61 3.91 0.65 0.36 2.02 0.25 -2.19 117.35 122.96 1th4 s TYR 136 Ca 0.20 -2.27 -0.06 0.00 -0.37 0.00 0.00 57.07 54.57 1th4 s TYR 136 Cb -0.14 -3.92 0.14 0.00 -0.40 0.00 0.00 41.96 37.64 1th4 s TYR 136 CO 0.06 -1.06 0.89 0.25 -1.57 0.00 0.00 175.55 174.13 1th4 n THR 137 N 3.61 0.00 1.24 -0.71 -2.24 -0.90 -4.32 114.28 110.96 1th4 n THR 137 Ca 0.22 -1.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.12 1th4 n THR 137 Cb 0.43 -1.29 0.32 0.00 -2.10 0.00 0.00 70.33 67.69 1th4 n THR 137 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1th4 n GLU 138 N -2.78 1.24 -2.51 -0.78 1.02 -1.24 -3.92 120.64 111.67 1th4 n GLU 138 Ca 0.13 -0.82 -0.27 0.00 -0.02 0.00 0.00 57.16 56.17 1th4 n GLU 138 Cb 0.45 -1.48 -0.00 0.00 -0.02 0.00 0.00 31.44 30.39 1th4 n GLU 138 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1th4 n ASP 139 N -0.17 4.78 0.00 1.62 9.92 -1.26 -4.55 116.55 126.89 1th4 n ASP 139 Ca 0.13 -3.72 0.00 0.00 -0.53 0.00 0.00 54.79 50.67 1th4 n ASP 139 Cb 0.39 -0.49 0.00 0.00 -0.64 0.00 0.00 41.12 40.38 1th4 n ASP 139 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1th4 n GLY 140 N -0.46 -0.43 0.00 0.44 0.00 -1.25 -4.63 105.19 98.86 1th4 n GLY 140 Ca 0.39 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1th4 n GLY 140 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1th4 n ASN 141 N 0.66 1.22 -3.15 1.61 3.02 -1.26 -2.13 115.26 115.23 1th4 n ASN 141 Ca 0.00 -0.96 0.04 0.00 -0.03 0.00 0.00 54.58 53.64 1th4 n ASN 141 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 1th4 n ASN 141 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1th4 s TRP 142 N -0.15 -1.51 -0.51 3.10 -0.00 -0.93 -3.69 118.94 115.25 1th4 s TRP 142 Ca 0.00 1.30 -0.16 0.00 -0.00 0.00 0.00 56.10 57.24 1th4 s TRP 142 Cb 0.00 0.42 0.10 0.00 -0.00 0.00 0.00 33.47 33.99 1th4 s TRP 142 CO 0.00 -0.85 0.47 -0.51 -0.00 0.00 0.00 176.95 176.06 1th4 s ASP 143 N 2.87 6.17 -0.72 5.86 1.01 -0.97 -1.04 116.67 129.86 1th4 s ASP 143 Ca 0.15 -1.54 -0.17 0.00 0.71 0.00 0.00 52.55 51.71 1th4 s ASP 143 Cb -0.12 -2.20 0.15 0.00 1.01 0.00 0.00 42.92 41.76 1th4 s ASP 143 CO -0.22 -0.78 0.75 -0.22 0.21 0.00 0.00 175.17 174.92 1th4 s LEU 144 N 1.70 5.99 -1.29 1.23 2.96 -0.72 -4.27 118.68 124.27 1th4 s LEU 144 Ca 0.04 -2.04 -0.18 0.00 -0.22 0.00 0.00 54.13 51.73 1th4 s LEU 144 Cb -0.27 -2.27 0.05 0.00 0.50 0.00 0.00 46.19 44.20 1th4 s LEU 144 CO 0.05 -0.87 1.80 0.52 -1.32 0.00 0.00 176.35 176.53 1th4 n VAL 145 N 4.92 3.65 -2.44 1.68 0.31 -1.26 -0.91 118.33 124.28 1th4 n VAL 145 Ca 0.03 -3.76 -0.24 0.00 -0.01 0.00 0.00 64.34 60.36 1th4 n VAL 145 Cb 0.45 -2.35 0.05 0.00 -0.91 0.00 0.00 33.84 31.08 1th4 n VAL 145 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1th4 s GLY 146 N 4.44 1.72 0.15 2.92 0.00 0.20 -4.87 107.32 111.89 1th4 s GLY 146 Ca 0.55 -1.06 -0.07 0.00 0.00 0.00 0.00 44.72 44.15 1th4 s GLY 146 CO 0.08 -0.73 0.21 -1.31 0.00 0.00 0.00 173.10 171.35 1th4 s ASN 147 N -4.44 0.13 -1.28 1.64 -0.87 0.33 0.80 114.94 111.25 1th4 s ASN 147 Ca 0.57 -0.96 -0.16 0.00 -1.57 0.00 0.00 52.86 50.74 1th4 s ASN 147 Cb -0.11 0.39 0.10 0.00 -0.02 0.00 0.00 41.25 41.62 1th4 s ASN 147 CO 0.42 -0.84 1.66 -0.46 -2.57 0.00 0.00 177.10 175.32 1th4 n ASN 148 N -0.17 5.00 0.00 -1.22 2.04 -0.93 0.15 115.26 120.13 1th4 n ASN 148 Ca -0.07 -2.94 0.00 0.00 -0.44 0.00 0.00 54.58 51.13 1th4 n ASN 148 Cb 0.63 -1.69 0.00 0.00 -2.53 0.00 0.00 39.78 36.19 1th4 n ASN 148 CO 0.00 0.00 0.00 1.07 -0.44 0.00 0.00 177.26 177.89 1th4 n THR 149 N 5.78 0.00 1.30 5.53 5.66 -1.26 -4.72 114.28 126.57 1th4 n THR 149 Ca 0.45 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.58 1th4 n THR 149 Cb 0.45 0.00 0.38 0.00 -1.55 0.00 0.00 70.33 69.60 1th4 n THR 149 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1th4 n PRO 150 N -1.10 1.32 -4.25 1.09 -0.04 -1.26 -4.47 135.00 126.28 1th4 n PRO 150 Ca 0.00 -0.85 -0.18 0.00 -0.04 0.00 0.00 63.50 62.44 1th4 n PRO 150 Cb 0.00 -1.48 -0.11 0.00 -0.04 0.00 0.00 33.50 31.87 1th4 n PRO 150 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1th4 s ILE 151 N -2.26 1.35 0.00 0.52 -5.25 -1.26 -4.31 121.20 109.99 1th4 s ILE 151 Ca 0.29 -1.79 0.00 0.00 -0.99 0.00 0.00 60.65 58.16 1th4 s ILE 151 Cb 0.20 -1.61 0.00 0.00 2.95 0.00 0.00 42.46 44.00 1th4 s ILE 151 CO 0.43 -0.46 0.00 0.33 -1.79 0.00 0.00 174.94 173.45 1th4 n PHE 152 N 0.38 0.00 0.00 1.37 7.35 -1.05 -4.84 117.46 120.67 1th4 n PHE 152 Ca -0.14 0.00 -0.17 0.00 -0.76 0.00 0.00 57.45 56.37 1th4 n PHE 152 Cb 0.58 0.00 -0.14 0.00 0.35 0.00 0.00 39.48 40.27 1th4 n PHE 152 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 1th4 h PHE 153 N 0.48 0.35 -2.44 -5.13 -1.00 -1.89 -3.37 116.94 103.94 1th4 h PHE 153 Ca 0.00 -0.25 -0.62 0.00 2.81 0.00 0.00 57.97 59.91 1th4 h PHE 153 Cb 0.00 -0.01 -0.15 0.00 3.61 0.00 0.00 35.95 39.40 1th4 h PHE 153 CO 0.00 1.54 -0.77 0.96 -1.61 0.00 0.00 178.31 178.43 1th4 s ILE 154 N -2.57 2.52 -0.92 -0.55 -4.36 -1.26 -2.63 121.20 111.42 1th4 s ILE 154 Ca -0.16 -2.29 0.15 0.00 -0.26 0.00 0.00 60.65 58.09 1th4 s ILE 154 Cb 0.07 -2.30 -0.11 0.00 1.25 0.00 0.00 42.46 41.37 1th4 s ILE 154 CO 0.79 -0.33 0.69 0.54 0.24 0.00 0.00 174.94 176.87 1th4 n ARG 155 N -0.43 2.00 -4.12 0.37 1.74 -1.26 -4.63 116.66 110.33 1th4 n ARG 155 Ca -0.07 -0.24 -0.19 0.00 -0.77 0.00 0.00 57.85 56.58 1th4 n ARG 155 Cb 0.59 -1.21 -0.16 0.00 -1.02 0.00 0.00 32.46 30.66 1th4 n ARG 155 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1th4 s ASP 156 N -2.23 0.75 0.21 0.55 -1.08 -1.26 -3.36 116.67 110.25 1th4 s ASP 156 Ca 0.08 -0.10 -0.16 0.00 -0.52 0.00 0.00 52.55 51.85 1th4 s ASP 156 Cb 0.12 -0.33 0.21 0.00 -1.46 0.00 0.00 42.92 41.45 1th4 s ASP 156 CO 0.54 -0.04 1.60 0.00 0.52 0.00 0.00 175.17 177.79 1th4 h ALA 157 N 6.99 0.23 -1.32 3.66 0.00 -1.84 -1.35 119.26 125.63 1th4 h ALA 157 Ca -0.38 0.22 0.44 0.00 0.00 0.00 0.00 54.91 55.19 1th4 h ALA 157 Cb 1.15 0.66 -0.11 0.00 0.00 0.00 0.00 17.79 19.49 1th4 h ALA 157 CO 0.48 -0.54 0.87 1.28 0.00 0.00 0.00 179.25 181.35 1th4 n LEU 158 N -5.46 0.15 -1.03 0.00 4.77 -1.26 0.35 117.00 114.52 1th4 n LEU 158 Ca 0.07 1.17 0.08 0.00 -0.03 0.00 0.00 56.01 57.30 1th4 n LEU 158 Cb 0.36 -0.57 0.24 0.00 -2.33 0.00 0.00 43.42 41.12 1th4 n LEU 158 CO 0.01 -1.25 0.70 0.18 -1.33 0.00 0.00 177.39 175.69 1th4 n LEU 159 N -4.33 3.00 -0.06 2.23 4.32 -0.51 -4.40 117.00 117.24 1th4 n LEU 159 Ca 0.37 -1.50 -0.07 0.00 -0.02 0.00 0.00 56.01 54.78 1th4 n LEU 159 Cb 1.47 -0.38 -0.06 0.00 -1.62 0.00 0.00 43.42 42.83 1th4 n LEU 159 CO 0.20 0.69 0.11 0.15 -1.22 0.00 0.00 177.39 177.32 1th4 h PHE 160 N 3.09 0.00 -0.87 -1.77 3.57 0.59 -2.66 116.94 118.88 1th4 h PHE 160 Ca 0.00 0.00 0.22 0.00 3.53 0.00 0.00 57.97 61.72 1th4 h PHE 160 Cb 0.79 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.48 1th4 h PHE 160 CO 0.40 0.47 0.60 -1.35 -2.23 0.00 0.00 178.31 176.20 1th4 h PRO 161 N -1.00 0.24 -0.47 6.41 0.11 -1.77 0.14 132.00 135.66 1th4 h PRO 161 Ca -0.02 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.96 1th4 h PRO 161 Cb 0.50 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 1th4 h PRO 161 CO -0.01 0.16 -0.18 0.77 -0.21 0.00 0.00 178.00 178.53 1th4 h SER 162 N 0.25 0.97 0.56 -2.05 0.02 -1.80 -2.87 113.55 108.63 1th4 h SER 162 Ca 0.44 -0.39 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1th4 h SER 162 Cb 1.33 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1th4 h SER 162 CO -0.11 1.14 -0.29 0.15 -1.14 0.00 0.00 176.83 176.57 1th4 h PHE 163 N 0.79 -0.76 -1.19 3.45 3.57 -0.37 -2.49 116.94 119.94 1th4 h PHE 163 Ca 0.11 -0.01 0.35 0.00 3.53 0.00 0.00 57.97 61.94 1th4 h PHE 163 Cb 0.75 0.26 -0.09 0.00 2.79 0.00 0.00 35.95 39.65 1th4 h PHE 163 CO 0.05 -0.46 0.79 0.82 -2.23 0.00 0.00 178.31 177.29 1th4 h ILE 164 N -0.78 0.36 0.39 1.41 1.08 -1.53 -0.73 117.51 117.70 1th4 h ILE 164 Ca -0.08 -0.07 -0.02 0.00 -0.39 0.00 0.00 64.86 64.30 1th4 h ILE 164 Cb 0.61 0.13 0.00 0.00 -3.07 0.00 0.00 36.82 34.49 1th4 h ILE 164 CO 0.11 0.04 -0.19 0.45 -0.69 0.00 0.00 178.15 177.87 1th4 h HIS 165 N 0.21 -0.48 -1.59 1.37 3.86 -1.24 -2.38 115.15 114.89 1th4 h HIS 165 Ca 0.67 -0.01 0.48 0.00 -1.16 0.00 0.00 60.37 60.35 1th4 h HIS 165 Cb 2.07 0.16 -0.09 0.00 1.06 0.00 0.00 27.41 30.61 1th4 h HIS 165 CO -0.00 -0.30 1.11 0.66 0.86 0.00 0.00 177.93 180.26 1th4 h SER 166 N -0.54 0.09 -0.19 2.45 4.64 -0.72 0.71 113.55 119.99 1th4 h SER 166 Ca -0.05 0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1th4 h SER 166 Cb 0.40 0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 1th4 h SER 166 CO 0.09 -0.06 0.03 0.00 -0.87 0.00 0.00 176.83 176.02 1th4 n GLN 167 N -4.25 2.04 -2.91 4.77 1.13 -0.81 -3.34 117.38 114.01 1th4 n GLN 167 Ca 0.38 -0.94 -0.08 0.00 -1.94 0.00 0.00 57.00 54.42 1th4 n GLN 167 Cb 1.66 -1.67 -0.03 0.00 0.11 0.00 0.00 30.24 30.31 1th4 n GLN 167 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1th4 n LYS 168 N 0.16 0.25 -1.79 -1.09 5.02 0.25 -4.84 118.16 116.11 1th4 n LYS 168 Ca 0.10 -1.46 -0.42 0.00 -2.02 0.00 0.00 58.31 54.51 1th4 n LYS 168 Cb 0.59 1.28 -0.03 0.00 -0.02 0.00 0.00 35.03 36.85 1th4 n LYS 168 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1th4 s ARG 169 N -2.53 4.15 0.19 1.97 0.52 -1.26 -4.14 118.95 117.86 1th4 s ARG 169 Ca 0.17 2.52 -0.32 0.00 -0.52 0.00 0.00 55.73 57.59 1th4 s ARG 169 Cb 0.00 -3.23 -0.16 0.00 0.52 0.00 0.00 34.95 32.09 1th4 s ARG 169 CO 0.12 -0.73 1.04 -1.71 0.02 0.00 0.00 175.30 174.04 1th4 n ASN 170 N 4.41 0.93 0.17 0.23 5.15 0.73 -4.71 115.26 122.16 1th4 n ASN 170 Ca 0.16 1.15 0.19 0.00 -0.60 0.00 0.00 54.58 55.47 1th4 n ASN 170 Cb 0.37 -1.18 0.76 0.00 -0.53 0.00 0.00 39.78 39.19 1th4 n ASN 170 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1th4 h PRO 171 N 2.74 0.00 0.00 1.20 0.13 -1.91 -0.60 132.00 133.55 1th4 h PRO 171 Ca -0.41 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.45 1th4 h PRO 171 Cb 1.36 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.44 1th4 h PRO 171 CO 0.66 0.00 -2.00 0.94 -0.23 0.00 0.00 178.00 177.36 1th4 n GLN 172 N -3.45 1.20 -0.07 0.86 7.27 -1.26 -4.69 117.38 117.24 1th4 n GLN 172 Ca 0.05 0.04 -0.13 0.00 0.07 0.00 0.00 57.00 57.03 1th4 n GLN 172 Cb 0.56 -1.37 -0.14 0.00 2.41 0.00 0.00 30.24 31.70 1th4 n GLN 172 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1th4 n THR 173 N -2.72 1.52 -0.76 1.69 -2.24 -1.20 -4.99 114.28 105.57 1th4 n THR 173 Ca -0.27 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 60.75 1th4 n THR 173 Cb 0.92 -0.97 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 1th4 n THR 173 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1th4 n HIS 174 N -3.02 0.00 -3.78 4.78 -0.00 -0.24 -4.97 115.22 107.99 1th4 n HIS 174 Ca -0.31 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 57.67 1th4 n HIS 174 Cb 1.08 -0.09 -0.02 0.00 -0.12 0.00 0.00 29.99 30.85 1th4 n HIS 174 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1th4 s LEU 175 N 0.00 3.98 -0.04 0.27 1.43 -1.26 -4.61 118.68 118.46 1th4 s LEU 175 Ca 0.00 -0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 52.62 1th4 s LEU 175 Cb 0.00 -2.62 -0.05 0.00 0.03 0.00 0.00 46.19 43.54 1th4 s LEU 175 CO 0.00 -0.25 1.52 -0.54 0.23 0.00 0.00 176.35 177.31 1th4 s LYS 176 N -4.03 4.22 -0.34 1.70 -0.14 -1.26 -0.19 119.74 119.70 1th4 s LYS 176 Ca 0.39 2.06 -0.12 0.00 -1.36 0.00 0.00 55.97 56.94 1th4 s LYS 176 Cb -0.08 -3.77 -0.01 0.00 -1.68 0.00 0.00 37.83 32.28 1th4 s LYS 176 CO 0.29 -0.72 0.22 0.34 -0.76 0.00 0.00 175.35 174.71 1th4 s ASP 177 N 2.56 5.95 0.33 2.83 -1.08 -1.26 -4.92 116.67 121.08 1th4 s ASP 177 Ca 0.68 -0.46 0.06 0.00 -0.52 0.00 0.00 52.55 52.31 1th4 s ASP 177 Cb -0.32 -2.11 0.59 0.00 -1.46 0.00 0.00 42.92 39.63 1th4 s ASP 177 CO 0.27 -0.23 1.82 1.55 0.52 0.00 0.00 175.17 179.09 1th4 h PRO 178 N 8.46 0.36 -0.27 4.34 0.13 -1.93 -1.16 132.00 141.93 1th4 h PRO 178 Ca -0.31 -0.11 -0.19 0.00 -0.87 0.00 0.00 66.00 64.52 1th4 h PRO 178 Cb 1.15 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1th4 h PRO 178 CO 0.63 0.54 -0.58 -0.44 -0.23 0.00 0.00 178.00 177.92 1th4 h ASP 179 N 0.33 0.97 -0.62 1.44 3.32 -1.93 -0.40 116.42 119.53 1th4 h ASP 179 Ca 0.06 -0.54 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 1th4 h ASP 179 Cb 0.52 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 1th4 h ASP 179 CO 0.03 1.34 0.32 0.24 -1.72 0.00 0.00 179.24 179.46 1th4 h MET 180 N 0.65 0.87 0.10 3.56 2.86 -1.77 -1.09 114.93 120.11 1th4 h MET 180 Ca 0.00 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1th4 h MET 180 Cb 1.19 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.69 1th4 h MET 180 CO 0.13 0.68 -0.05 0.28 1.06 0.00 0.00 176.91 179.01 1th4 h VAL 181 N 0.84 0.00 0.00 -2.22 2.07 -1.09 -3.23 116.25 112.62 1th4 h VAL 181 Ca 0.22 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.68 1th4 h VAL 181 Cb 0.07 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.84 1th4 h VAL 181 CO -0.03 0.00 -0.09 -0.50 0.02 0.00 0.00 177.57 176.97 1th4 h TRP 182 N -0.16 0.00 -0.51 1.57 4.06 -1.15 -1.61 115.95 118.15 1th4 h TRP 182 Ca -0.01 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.84 1th4 h TRP 182 Cb 0.10 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.24 1th4 h TRP 182 CO 0.15 0.09 -0.06 0.22 -3.56 0.00 0.00 178.44 175.28 1th4 h ASP 183 N 0.00 0.88 0.05 -3.49 3.58 -1.32 -0.25 116.42 115.87 1th4 h ASP 183 Ca -0.00 -0.26 -0.00 0.00 0.42 0.00 0.00 57.03 57.19 1th4 h ASP 183 Cb 0.21 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.02 1th4 h ASP 183 CO 0.01 0.98 -0.02 0.15 -2.88 0.00 0.00 179.24 177.48 1th4 h PHE 184 N 0.82 -0.06 -0.70 0.28 3.57 -1.39 -2.22 116.94 117.23 1th4 h PHE 184 Ca 0.14 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.73 1th4 h PHE 184 Cb 0.57 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.29 1th4 h PHE 184 CO 0.03 0.51 0.46 -1.49 -2.23 0.00 0.00 178.31 175.60 1th4 h TRP 185 N -0.71 0.63 -0.06 0.41 6.55 -1.31 -1.40 115.95 120.07 1th4 h TRP 185 Ca -0.01 0.02 -0.19 0.00 0.95 0.00 0.00 58.89 59.66 1th4 h TRP 185 Cb 0.60 -0.20 -0.00 0.00 -0.86 0.00 0.00 29.16 28.70 1th4 h TRP 185 CO 0.13 0.30 -0.78 0.66 -1.05 0.00 0.00 178.44 177.70 1th4 h SER 186 N 0.60 0.48 0.91 -3.49 4.64 -1.05 -3.06 113.55 112.58 1th4 h SER 186 Ca 0.32 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1th4 h SER 186 Cb 0.46 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1th4 h SER 186 CO -0.11 1.09 0.00 0.18 -0.87 0.00 0.00 176.83 177.12 1th4 n LEU 187 N -3.81 0.03 -3.64 5.97 4.77 -0.61 -4.32 117.00 115.39 1th4 n LEU 187 Ca -0.05 0.50 -0.29 0.00 -0.03 0.00 0.00 56.01 56.15 1th4 n LEU 187 Cb 0.74 -0.49 -0.12 0.00 -2.33 0.00 0.00 43.42 41.21 1th4 n LEU 187 CO 0.49 -0.06 -0.24 -0.13 -1.33 0.00 0.00 177.39 176.11 1th4 s ARG 188 N -3.01 1.28 0.34 3.23 1.81 -0.71 -4.98 118.95 116.91 1th4 s ARG 188 Ca 0.12 -2.13 0.07 0.00 -1.72 0.00 0.00 55.73 52.07 1th4 s ARG 188 Cb 0.17 -2.16 0.74 0.00 -0.45 0.00 0.00 34.95 33.25 1th4 s ARG 188 CO 0.48 -1.23 1.87 -1.35 -0.68 0.00 0.00 175.30 174.38 1th4 h PRO 189 N 6.34 0.76 -0.36 3.54 0.11 -1.75 -1.56 132.00 139.09 1th4 h PRO 189 Ca 0.08 -0.05 0.10 0.00 0.11 0.00 0.00 66.00 66.25 1th4 h PRO 189 Cb 0.90 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.83 1th4 h PRO 189 CO 0.46 0.50 0.93 1.05 -0.21 0.00 0.00 178.00 180.73 1th4 h GLU 190 N 0.78 0.00 0.00 1.05 9.09 -1.85 3.79 114.58 127.44 1th4 h GLU 190 Ca 0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.86 1th4 h GLU 190 Cb 0.62 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.72 1th4 h GLU 190 CO -0.21 0.00 0.00 -1.13 0.05 0.00 0.00 179.01 177.72 1th4 n SER 191 N -2.89 0.72 -0.28 3.06 3.41 -0.58 -3.99 113.62 113.06 1th4 n SER 191 Ca 0.08 0.60 0.34 0.00 -0.26 0.00 0.00 58.87 59.62 1th4 n SER 191 Cb 1.04 -0.78 0.73 0.00 -0.26 0.00 0.00 64.21 64.95 1th4 n SER 191 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1th4 h LEU 192 N 0.00 0.00 0.00 1.04 3.38 0.70 -1.66 115.31 118.77 1th4 h LEU 192 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1th4 h LEU 192 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1th4 h LEU 192 CO 0.00 0.00 0.00 1.57 0.09 0.00 0.00 178.44 180.10 1th4 n HIS 193 N -4.06 0.00 0.00 1.13 -0.00 -1.26 -3.33 115.22 107.71 1th4 n HIS 193 Ca 0.24 0.00 0.21 0.00 0.46 0.00 0.00 57.72 58.63 1th4 n HIS 193 Cb 1.22 -0.19 0.71 0.00 -0.12 0.00 0.00 29.99 31.62 1th4 n HIS 193 CO 0.00 0.00 0.00 0.37 0.46 0.00 0.00 176.34 177.17 1th4 h GLN 194 N 0.00 0.00 -0.65 1.57 5.75 -1.71 0.21 115.11 120.28 1th4 h GLN 194 Ca 0.00 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.54 1th4 h GLN 194 Cb 0.00 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.51 1th4 h GLN 194 CO 0.00 0.00 0.40 0.28 -2.65 0.00 0.00 178.83 176.86 1th4 h VAL 195 N 0.00 1.06 0.59 2.39 2.07 -1.44 0.96 116.25 121.88 1th4 h VAL 195 Ca 0.25 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1th4 h VAL 195 Cb 1.08 0.22 0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1th4 h VAL 195 CO -0.00 0.14 -0.29 0.28 0.02 0.00 0.00 177.57 177.72 1th4 h SER 196 N 0.77 -0.68 -0.91 0.57 0.02 -0.60 -2.06 113.55 110.66 1th4 h SER 196 Ca 0.27 -0.03 0.24 0.00 -0.84 0.00 0.00 61.79 61.42 1th4 h SER 196 Cb 0.06 0.17 -0.06 0.00 0.14 0.00 0.00 62.40 62.72 1th4 h SER 196 CO -0.12 -0.33 0.63 0.15 -1.14 0.00 0.00 176.83 176.01 1th4 h PHE 197 N -1.04 0.31 -0.28 3.45 3.04 -1.03 -1.69 116.94 119.69 1th4 h PHE 197 Ca -0.08 0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.77 1th4 h PHE 197 Cb 0.67 -0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.08 1th4 h PHE 197 CO 0.00 0.07 -0.24 1.25 -2.02 0.00 0.00 178.31 177.37 1th4 h LEU 198 N 0.22 0.69 -0.12 0.59 5.85 0.14 -3.13 115.31 119.55 1th4 h LEU 198 Ca 0.46 -0.46 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1th4 h LEU 198 Cb 1.46 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.29 1th4 h LEU 198 CO -0.11 1.00 -0.13 0.49 -0.34 0.00 0.00 178.44 179.35 1th4 n PHE 199 N -4.32 0.00 -1.15 1.25 3.01 -0.71 -3.51 117.46 112.03 1th4 n PHE 199 Ca -0.04 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.12 1th4 n PHE 199 Cb 0.44 -0.28 0.25 0.00 -0.01 0.00 0.00 39.48 39.88 1th4 n PHE 199 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1th4 s SER 200 N -2.69 0.77 0.65 4.37 1.04 -0.77 -4.60 113.70 112.47 1th4 s SER 200 Ca 0.23 0.47 0.33 0.00 0.48 0.00 0.00 55.95 57.46 1th4 s SER 200 Cb 0.19 -0.59 1.82 0.00 0.10 0.00 0.00 66.02 67.54 1th4 s SER 200 CO 0.52 -4.20 2.06 0.44 0.98 0.00 0.00 173.24 173.04 1th4 h ASP 201 N -2.64 0.00 0.51 7.02 3.32 -1.89 0.16 116.42 122.90 1th4 h ASP 201 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1th4 h ASP 201 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1th4 h ASP 201 CO 0.29 0.00 -0.02 0.54 -1.72 0.00 0.00 179.24 178.33 1th4 n ARG 202 N -3.18 0.49 0.30 3.56 5.12 -1.26 -3.63 116.66 118.06 1th4 n ARG 202 Ca -0.01 -0.04 0.16 0.00 -1.93 0.00 0.00 57.85 56.04 1th4 n ARG 202 Cb 0.32 -1.50 0.94 0.00 -1.16 0.00 0.00 32.46 31.06 1th4 n ARG 202 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1th4 h GLY 203 N 4.99 0.00 -6.74 -0.13 0.00 -0.72 -3.33 103.07 97.14 1th4 h GLY 203 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 1th4 h GLY 203 CO 0.00 0.00 -0.81 -0.42 0.00 0.00 0.00 176.54 175.31 1th4 s ILE 204 N -4.41 0.68 0.01 2.60 1.09 -1.24 -1.73 121.20 118.20 1th4 s ILE 204 Ca -0.04 -2.11 -0.30 0.00 -1.10 0.00 0.00 60.65 57.09 1th4 s ILE 204 Cb 0.14 -1.48 -0.04 0.00 -1.06 0.00 0.00 42.46 40.02 1th4 s ILE 204 CO 0.53 -0.96 1.03 -2.16 -0.10 0.00 0.00 174.94 173.28 1th4 s PRO 205 N 0.72 4.52 -0.47 2.79 0.04 -1.25 0.20 135.00 141.55 1th4 s PRO 205 Ca 0.19 1.50 -0.27 0.00 0.04 0.00 0.00 61.00 62.46 1th4 s PRO 205 Cb -0.22 -3.44 -0.05 0.00 0.04 0.00 0.00 34.50 30.83 1th4 s PRO 205 CO -0.00 -0.11 2.21 0.34 0.04 0.00 0.00 177.00 179.47 1th4 s ASP 206 N 1.03 4.89 0.43 6.66 2.15 0.25 -4.64 116.67 127.45 1th4 s ASP 206 Ca 0.53 1.04 0.00 0.00 0.43 0.00 0.00 52.55 54.56 1th4 s ASP 206 Cb -0.23 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 1th4 s ASP 206 CO 0.28 -2.54 0.00 0.61 -0.17 0.00 0.00 175.17 173.35 1th4 n GLY 207 N 5.85 -3.24 0.06 2.66 0.00 -1.26 -3.89 105.19 105.36 1th4 n GLY 207 Ca 0.31 -1.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.06 1th4 n GLY 207 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1th4 h HIS 208 N -0.84 0.05 -1.17 1.61 3.86 -1.82 -3.08 115.15 113.76 1th4 h HIS 208 Ca -0.12 -0.01 0.34 0.00 -1.16 0.00 0.00 60.37 59.42 1th4 h HIS 208 Cb 0.93 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 29.34 1th4 h HIS 208 CO 0.04 0.32 0.90 0.00 0.86 0.00 0.00 177.93 180.05 1th4 h ARG 209 N -0.24 0.00 -2.03 2.45 3.08 -1.94 -2.44 114.38 113.26 1th4 h ARG 209 Ca 0.01 0.00 -0.72 0.00 0.07 0.00 0.00 59.98 59.34 1th4 h ARG 209 Cb 0.30 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 30.10 1th4 h ARG 209 CO 0.00 0.00 0.96 0.72 -1.07 0.00 0.00 179.97 180.58 1th4 n HIS 210 N -4.00 2.69 -3.59 3.04 8.25 -1.16 -4.41 115.22 116.03 1th4 n HIS 210 Ca 0.25 -2.27 -0.13 0.00 -0.26 0.00 0.00 57.72 55.31 1th4 n HIS 210 Cb 1.29 -1.24 -0.05 0.00 1.12 0.00 0.00 29.99 31.10 1th4 n HIS 210 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1th4 s MET 211 N -3.59 1.02 0.64 -0.41 0.23 -0.92 -2.91 119.30 113.36 1th4 s MET 211 Ca 0.52 -0.29 -0.04 0.00 -1.03 0.00 0.00 55.69 54.85 1th4 s MET 211 Cb 0.41 0.46 0.05 0.00 -1.53 0.00 0.00 34.83 34.22 1th4 s MET 211 CO -0.36 -0.37 0.92 -0.51 -2.03 0.00 0.00 175.02 172.68 1th4 s ASP 212 N -2.04 5.02 0.03 -1.18 1.01 -1.26 -4.43 116.67 113.81 1th4 s ASP 212 Ca -0.05 0.30 0.04 0.00 0.71 0.00 0.00 52.55 53.55 1th4 s ASP 212 Cb -0.01 -1.05 -0.02 0.00 1.01 0.00 0.00 42.92 42.85 1th4 s ASP 212 CO -0.03 -1.41 -0.12 -0.83 0.21 0.00 0.00 175.17 173.00 1th4 s GLY 213 N -4.47 0.65 0.04 0.21 0.00 -0.88 -3.94 107.32 98.93 1th4 s GLY 213 Ca 0.59 -0.70 -0.01 0.00 0.00 0.00 0.00 44.72 44.60 1th4 s GLY 213 CO 0.42 -0.68 -0.03 -0.19 0.00 0.00 0.00 173.10 172.63 1th4 s TYR 214 N -0.76 0.43 -0.74 1.90 1.51 0.39 -1.29 117.35 118.78 1th4 s TYR 214 Ca 0.00 -0.88 0.22 0.00 -1.01 0.00 0.00 57.07 55.40 1th4 s TYR 214 Cb -0.07 -0.32 -0.10 0.00 -0.11 0.00 0.00 41.96 41.36 1th4 s TYR 214 CO 0.01 -0.31 0.92 0.41 -1.11 0.00 0.00 175.55 175.46 1th4 n GLY 215 N 0.63 -1.08 5.10 0.71 0.00 0.93 -0.51 105.19 110.97 1th4 n GLY 215 Ca -0.18 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1th4 n GLY 215 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1th4 n SER 216 N -1.74 0.00 -4.55 1.61 7.64 -1.26 -4.82 113.62 110.50 1th4 n SER 216 Ca 0.02 0.00 -0.48 0.00 1.01 0.00 0.00 58.87 59.42 1th4 n SER 216 Cb 0.40 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.56 1th4 n SER 216 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1th4 n HIS 217 N 0.00 0.97 -2.20 1.43 8.25 -1.26 -4.85 115.22 117.55 1th4 n HIS 217 Ca 0.00 0.76 -0.41 0.00 -0.26 0.00 0.00 57.72 57.81 1th4 n HIS 217 Cb 0.00 -2.21 -0.03 0.00 1.12 0.00 0.00 29.99 28.87 1th4 n HIS 217 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1th4 s THR 218 N -0.50 2.90 0.00 1.59 2.01 -1.26 -4.67 115.64 115.71 1th4 s THR 218 Ca 0.70 0.91 0.00 0.00 0.31 0.00 0.00 61.69 63.60 1th4 s THR 218 Cb -0.86 -3.58 0.00 0.00 0.01 0.00 0.00 72.50 68.07 1th4 s THR 218 CO 0.55 0.22 0.00 0.49 -0.69 0.00 0.00 174.62 175.18 1th4 n PHE 219 N 0.88 0.00 -3.98 4.92 3.72 0.28 -3.53 117.46 119.74 1th4 n PHE 219 Ca -0.00 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.21 1th4 n PHE 219 Cb 0.43 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.80 1th4 n PHE 219 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1th4 s LYS 220 N -0.19 0.50 -0.17 -1.08 1.02 0.10 -2.10 119.74 117.81 1th4 s LYS 220 Ca 0.00 0.03 -0.01 0.00 0.02 0.00 0.00 55.97 56.01 1th4 s LYS 220 Cb 0.00 -0.65 0.00 0.00 -0.52 0.00 0.00 37.83 36.66 1th4 s LYS 220 CO 0.00 -0.14 -0.14 -0.51 -0.92 0.00 0.00 175.35 173.65 1th4 s LEU 221 N 1.10 2.50 -0.16 3.17 1.43 -0.08 -0.78 118.68 125.87 1th4 s LEU 221 Ca -0.08 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.51 1th4 s LEU 221 Cb -0.14 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 1th4 s LEU 221 CO -0.01 0.04 -0.10 -0.69 0.23 0.00 0.00 176.35 175.82 1th4 s VAL 222 N 1.06 3.17 0.00 -1.59 1.01 -1.04 -1.55 120.40 121.46 1th4 s VAL 222 Ca -0.01 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1th4 s VAL 222 Cb -0.15 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.86 1th4 s VAL 222 CO -0.04 0.49 0.00 -0.46 0.00 0.00 0.00 175.10 175.10 1th4 n ASN 223 N 3.93 0.00 0.10 3.32 0.23 0.10 0.92 115.26 123.86 1th4 n ASN 223 Ca -0.18 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 53.75 1th4 n ASN 223 Cb 0.52 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.14 1th4 n ASN 223 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1th4 h ALA 224 N -1.39 -0.30 0.00 -2.53 0.00 -1.85 -3.04 119.26 110.15 1th4 h ALA 224 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1th4 h ALA 224 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1th4 h ALA 224 CO 0.00 -0.42 0.00 -0.25 0.00 0.00 0.00 179.25 178.58 1th4 n ASP 225 N -5.02 0.00 0.00 0.00 8.00 -1.26 -4.78 116.55 113.49 1th4 n ASP 225 Ca -0.09 0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.84 1th4 n ASP 225 Cb 0.26 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 1th4 n ASP 225 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1th4 n GLY 226 N -0.94 0.69 3.76 0.44 0.00 -1.15 -5.04 105.19 102.95 1th4 n GLY 226 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1th4 n GLY 226 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1th4 s GLU 227 N -0.75 3.57 0.26 1.61 2.12 -1.26 -4.64 118.70 119.62 1th4 s GLU 227 Ca 0.00 2.23 0.07 0.00 0.36 0.00 0.00 54.97 57.63 1th4 s GLU 227 Cb 0.00 -2.52 -0.05 0.00 0.26 0.00 0.00 34.13 31.82 1th4 s GLU 227 CO 0.00 -0.84 -0.09 0.00 -0.54 0.00 0.00 175.26 173.79 1th4 s ALA 228 N -1.28 2.30 0.25 6.30 0.00 -1.26 -1.21 121.76 126.86 1th4 s ALA 228 Ca 0.64 -1.85 -0.16 0.00 0.00 0.00 0.00 51.96 50.59 1th4 s ALA 228 Cb -0.40 0.10 0.01 0.00 0.00 0.00 0.00 23.12 22.82 1th4 s ALA 228 CO 0.50 -0.02 0.55 0.14 0.00 0.00 0.00 175.76 176.93 1th4 s VAL 229 N -2.97 0.00 -0.07 0.00 -7.23 -0.60 -4.81 120.40 104.73 1th4 s VAL 229 Ca 0.28 -1.22 -0.01 0.00 -1.81 0.00 0.00 61.98 59.22 1th4 s VAL 229 Cb 0.02 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.85 1th4 s VAL 229 CO 0.11 -0.01 -0.01 -0.31 -0.31 0.00 0.00 175.10 174.56 1th4 s TYR 230 N -3.97 3.10 0.19 2.82 2.02 -0.47 -0.90 117.35 120.13 1th4 s TYR 230 Ca 0.18 0.14 -0.08 0.00 -0.37 0.00 0.00 57.07 56.94 1th4 s TYR 230 Cb -0.02 -1.75 -0.02 0.00 -0.40 0.00 0.00 41.96 39.77 1th4 s TYR 230 CO 0.07 0.44 0.28 0.00 -1.57 0.00 0.00 175.55 174.77 1th4 s LYS 232 N -4.03 1.73 -0.18 0.00 -0.14 -0.79 1.00 119.74 117.33 1th4 s LYS 232 Ca 0.23 -1.63 0.01 0.00 -1.36 0.00 0.00 55.97 53.23 1th4 s LYS 232 Cb 0.03 -1.86 0.03 0.00 -1.68 0.00 0.00 37.83 34.35 1th4 s LYS 232 CO 0.05 0.36 -0.16 -0.06 -0.76 0.00 0.00 175.35 174.78 1th4 s PHE 233 N -2.20 2.56 -0.06 3.18 0.08 -1.26 -2.40 117.98 117.87 1th4 s PHE 233 Ca 0.27 -1.55 0.03 0.00 0.12 0.00 0.00 56.93 55.79 1th4 s PHE 233 Cb -0.06 -1.77 0.01 0.00 -0.57 0.00 0.00 43.02 40.63 1th4 s PHE 233 CO 0.14 -0.76 -0.13 -1.01 -0.10 0.00 0.00 175.22 173.36 1th4 s HIS 234 N 1.36 1.53 -0.26 0.36 3.76 -0.88 -0.05 115.29 121.12 1th4 s HIS 234 Ca 0.03 -0.55 0.01 0.00 -0.15 0.00 0.00 55.06 54.39 1th4 s HIS 234 Cb -0.14 -1.10 0.07 0.00 1.11 0.00 0.00 32.58 32.52 1th4 s HIS 234 CO -0.11 -0.27 -0.01 1.52 -0.85 0.00 0.00 174.74 175.03 1th4 s TYR 235 N 0.56 2.33 0.24 1.40 1.13 -0.41 0.42 117.35 123.01 1th4 s TYR 235 Ca -0.13 -1.83 -0.30 0.00 -1.41 0.00 0.00 57.07 53.40 1th4 s TYR 235 Cb -0.15 -1.73 -0.09 0.00 -1.10 0.00 0.00 41.96 38.89 1th4 s TYR 235 CO 0.04 -0.80 1.02 0.15 -2.51 0.00 0.00 175.55 173.45 1th4 s LYS 236 N 1.41 4.74 -0.03 -3.49 -0.14 -0.25 -2.07 119.74 119.91 1th4 s LYS 236 Ca -0.00 1.63 -0.30 0.00 -1.36 0.00 0.00 55.97 55.94 1th4 s LYS 236 Cb -0.18 -3.25 -0.03 0.00 -1.68 0.00 0.00 37.83 32.68 1th4 s LYS 236 CO -0.10 0.33 1.10 -0.08 -0.76 0.00 0.00 175.35 175.85 1th4 s THR 237 N -0.99 4.48 -1.61 2.17 -1.32 -1.26 -0.59 115.64 116.53 1th4 s THR 237 Ca 0.44 1.78 0.28 0.00 -1.21 0.00 0.00 61.69 62.98 1th4 s THR 237 Cb -0.28 -4.14 0.59 0.00 -1.51 0.00 0.00 72.50 67.15 1th4 s THR 237 CO 0.36 0.07 1.99 0.47 -2.21 0.00 0.00 174.62 175.29 1th4 n ASP 238 N 4.54 0.00 -1.14 8.08 8.00 0.19 -2.46 116.55 133.76 1th4 n ASP 238 Ca 0.09 -0.36 0.10 0.00 0.71 0.00 0.00 54.79 55.33 1th4 n ASP 238 Cb 0.48 -0.20 0.27 0.00 -0.02 0.00 0.00 41.12 41.66 1th4 n ASP 238 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1th4 n GLN 239 N -1.20 2.43 -1.33 -1.24 3.00 -1.26 -4.91 117.38 112.87 1th4 n GLN 239 Ca 0.16 -2.22 0.08 0.00 -0.01 0.00 0.00 57.00 55.02 1th4 n GLN 239 Cb 0.18 -1.48 -0.05 0.00 0.00 0.00 0.00 30.24 28.90 1th4 n GLN 239 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1th4 n GLY 240 N 1.48 -3.60 3.75 1.08 0.00 -1.03 -4.78 105.19 102.09 1th4 n GLY 240 Ca 0.21 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 1th4 n GLY 240 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1th4 s ILE 241 N -4.67 3.68 -0.25 -0.61 -1.09 -1.26 -4.41 121.20 112.58 1th4 s ILE 241 Ca 0.00 1.59 -0.07 0.00 -2.23 0.00 0.00 60.65 59.95 1th4 s ILE 241 Cb 0.00 -4.02 0.12 0.00 -1.58 0.00 0.00 42.46 36.99 1th4 s ILE 241 CO 0.00 0.34 0.52 -0.75 -1.23 0.00 0.00 174.94 173.82 1th4 s LYS 242 N -1.02 0.45 0.51 2.79 2.20 -1.14 -5.03 119.74 118.49 1th4 s LYS 242 Ca 0.46 1.12 0.08 0.00 -0.36 0.00 0.00 55.97 57.27 1th4 s LYS 242 Cb -0.30 0.45 0.04 0.00 -1.51 0.00 0.00 37.83 36.51 1th4 s LYS 242 CO 0.38 -0.33 0.61 -0.80 -0.36 0.00 0.00 175.35 174.86 1th4 s ASN 243 N 2.74 5.16 -0.18 1.43 0.01 -1.26 0.84 114.94 123.68 1th4 s ASN 243 Ca 0.01 -0.79 0.00 0.00 -0.71 0.00 0.00 52.86 51.38 1th4 s ASN 243 Cb -0.13 -0.06 0.04 0.00 0.41 0.00 0.00 41.25 41.52 1th4 s ASN 243 CO -0.16 -1.06 -0.09 -0.76 -1.51 0.00 0.00 177.10 173.52 1th4 s LEU 244 N -4.45 1.95 0.54 0.60 1.43 0.13 -4.27 118.68 114.61 1th4 s LEU 244 Ca 0.54 -0.75 -0.20 0.00 -1.03 0.00 0.00 54.13 52.69 1th4 s LEU 244 Cb -0.06 -1.10 -0.08 0.00 0.03 0.00 0.00 46.19 44.99 1th4 s LEU 244 CO 0.33 -0.15 0.87 -1.54 0.23 0.00 0.00 176.35 176.09 1th4 n SER 245 N 4.77 0.49 -0.30 2.29 3.41 -1.26 -4.53 113.62 118.49 1th4 n SER 245 Ca -0.14 0.86 0.13 0.00 -0.26 0.00 0.00 58.87 59.46 1th4 n SER 245 Cb 0.47 -1.33 0.29 0.00 -0.26 0.00 0.00 64.21 63.39 1th4 n SER 245 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 1th4 h VAL 246 N 0.76 0.29 -0.27 -3.33 -1.51 -1.98 0.32 116.25 110.53 1th4 h VAL 246 Ca -0.46 -0.06 -0.18 0.00 -1.23 0.00 0.00 66.70 64.76 1th4 h VAL 246 Cb 1.36 0.09 -0.00 0.00 -2.13 0.00 0.00 31.29 30.61 1th4 h VAL 246 CO 0.52 0.03 -0.54 -0.33 -1.23 0.00 0.00 177.57 176.02 1th4 h GLU 247 N 0.19 0.82 0.00 5.19 3.07 -1.96 0.80 114.58 122.69 1th4 h GLU 247 Ca 0.55 -0.51 -0.04 0.00 -0.50 0.00 0.00 59.36 58.86 1th4 h GLU 247 Cb 1.12 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.08 1th4 h GLU 247 CO -0.67 1.15 -0.17 -0.44 -1.40 0.00 0.00 179.01 177.47 1th4 h ASP 248 N 0.63 0.00 0.00 1.42 3.32 -1.19 -1.32 116.42 119.28 1th4 h ASP 248 Ca 0.02 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.79 1th4 h ASP 248 Cb 1.14 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.64 1th4 h ASP 248 CO 0.12 0.17 -1.59 0.00 -1.72 0.00 0.00 179.24 176.21 1th4 n ALA 249 N -2.18 0.89 0.28 3.45 0.00 0.89 -3.33 120.51 120.51 1th4 n ALA 249 Ca 0.01 -0.68 0.14 0.00 0.00 0.00 0.00 53.44 52.91 1th4 n ALA 249 Cb 0.44 -0.29 0.77 0.00 0.00 0.00 0.00 19.45 20.38 1th4 n ALA 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1th4 h ALA 250 N -0.70 1.21 0.07 0.00 0.00 0.60 0.21 119.26 120.65 1th4 h ALA 250 Ca -0.42 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.31 1th4 h ALA 250 Cb 1.33 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1th4 h ALA 250 CO -0.26 -0.21 -0.92 -0.09 0.00 0.00 0.00 179.25 177.78 1th4 h ARG 251 N 0.00 0.14 0.00 0.00 2.43 -1.38 -3.31 114.38 112.26 1th4 h ARG 251 Ca 0.00 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1th4 h ARG 251 Cb 0.46 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1th4 h ARG 251 CO 0.00 1.11 0.00 1.28 -1.51 0.00 0.00 179.97 180.85 1th4 n LEU 252 N -4.24 0.48 -0.02 3.80 4.77 0.52 -1.97 117.00 120.33 1th4 n LEU 252 Ca -0.21 0.64 0.02 0.00 -0.03 0.00 0.00 56.01 56.44 1th4 n LEU 252 Cb 0.73 -0.61 0.37 0.00 -2.33 0.00 0.00 43.42 41.59 1th4 n LEU 252 CO 0.36 -0.58 1.11 0.00 -1.33 0.00 0.00 177.39 176.95 1th4 h ALA 253 N 2.24 1.58 0.00 -1.18 0.00 -0.99 -2.32 119.26 118.59 1th4 h ALA 253 Ca 0.00 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1th4 h ALA 253 Cb 0.25 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1th4 h ALA 253 CO 0.00 0.34 -1.30 -2.39 0.00 0.00 0.00 179.25 175.90 1th4 n HIS 254 N -4.41 0.00 -0.32 0.00 1.44 -0.83 -3.53 115.22 107.56 1th4 n HIS 254 Ca 0.03 0.00 0.18 0.00 -2.01 0.00 0.00 57.72 55.92 1th4 n HIS 254 Cb 0.11 -0.54 0.35 0.00 0.12 0.00 0.00 29.99 30.03 1th4 n HIS 254 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1th4 h GLU 255 N -0.80 0.07 -1.52 -1.40 5.08 -1.58 -3.31 114.58 111.11 1th4 h GLU 255 Ca -0.20 -0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.89 1th4 h GLU 255 Cb 1.04 -0.02 -0.25 0.00 0.50 0.00 0.00 28.75 30.03 1th4 h GLU 255 CO -0.12 0.04 -0.62 0.34 -1.00 0.00 0.00 179.01 177.66 1th4 s ASP 256 N -4.94 -0.17 0.63 1.42 2.15 -0.89 -5.01 116.67 109.87 1th4 s ASP 256 Ca -0.12 -1.65 0.35 0.00 0.43 0.00 0.00 52.55 51.56 1th4 s ASP 256 Cb 0.29 1.12 2.03 0.00 -0.30 0.00 0.00 42.92 46.06 1th4 s ASP 256 CO 0.78 -0.17 2.26 1.55 -0.17 0.00 0.00 175.17 179.42 1th4 h PRO 257 N 6.27 0.00 -0.52 4.34 0.13 -1.57 -1.65 132.00 139.01 1th4 h PRO 257 Ca 0.09 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.10 1th4 h PRO 257 Cb 1.08 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.14 1th4 h PRO 257 CO 0.15 0.00 0.11 -0.25 -0.23 0.00 0.00 178.00 177.77 1th4 n ASP 258 N -3.49 4.32 -0.33 1.44 8.00 -1.26 -0.86 116.55 124.36 1th4 n ASP 258 Ca -0.02 -3.21 0.14 0.00 0.71 0.00 0.00 54.79 52.41 1th4 n ASP 258 Cb 0.13 -0.66 0.28 0.00 -0.02 0.00 0.00 41.12 40.85 1th4 n ASP 258 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1th4 h TYR 259 N 2.31 0.00 -0.39 1.24 3.20 -1.61 -0.42 116.97 121.31 1th4 h TYR 259 Ca 0.15 0.07 -0.03 0.00 3.14 0.00 0.00 58.73 62.06 1th4 h TYR 259 Cb 1.92 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 40.33 1th4 h TYR 259 CO 0.98 -0.40 0.14 0.78 -1.64 0.00 0.00 178.16 178.03 1th4 h GLY 260 N 0.04 0.63 0.80 1.82 0.00 -1.86 0.42 103.07 104.91 1th4 h GLY 260 Ca 0.58 -0.36 0.04 0.00 0.00 0.00 0.00 47.33 47.59 1th4 h GLY 260 CO -0.87 0.33 0.34 -2.00 0.00 0.00 0.00 176.54 174.35 1th4 h LEU 261 N 0.48 0.54 -0.24 3.11 6.46 -1.44 -2.39 115.31 121.82 1th4 h LEU 261 Ca 0.13 0.01 -0.10 0.00 -0.12 0.00 0.00 57.88 57.80 1th4 h LEU 261 Cb 0.22 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.05 1th4 h LEU 261 CO -0.01 0.37 -0.25 -0.09 -0.62 0.00 0.00 178.44 177.84 1th4 h ARG 262 N 0.66 0.59 -0.18 1.25 2.43 -1.17 -2.62 114.38 115.33 1th4 h ARG 262 Ca 0.25 -0.31 0.05 0.00 -0.81 0.00 0.00 59.98 59.16 1th4 h ARG 262 Cb 0.08 0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.58 1th4 h ARG 262 CO -0.13 0.91 -0.38 0.22 -1.51 0.00 0.00 179.97 179.08 1th4 h ASP 263 N 0.29 -1.20 0.38 -3.80 3.58 -0.61 -0.43 116.42 114.62 1th4 h ASP 263 Ca 0.04 0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.64 1th4 h ASP 263 Cb 0.81 0.51 -0.01 0.00 1.72 0.00 0.00 39.33 42.35 1th4 h ASP 263 CO 0.06 -0.39 -0.30 0.25 -2.88 0.00 0.00 179.24 175.98 1th4 h LEU 264 N -0.42 -0.79 -0.75 2.28 5.85 -1.46 0.95 115.31 120.96 1th4 h LEU 264 Ca 0.10 0.05 0.13 0.00 0.84 0.00 0.00 57.88 59.00 1th4 h LEU 264 Cb 0.59 0.25 -0.13 0.00 0.37 0.00 0.00 40.66 41.73 1th4 h LEU 264 CO -0.41 -0.42 -0.35 0.15 -0.34 0.00 0.00 178.44 177.06 1th4 h PHE 265 N -0.66 -0.97 -0.02 1.25 3.57 -1.35 -1.04 116.94 117.73 1th4 h PHE 265 Ca -0.05 0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.56 1th4 h PHE 265 Cb 0.55 0.53 -0.03 0.00 2.79 0.00 0.00 35.95 39.79 1th4 h PHE 265 CO -0.10 -0.39 -0.11 -0.91 -2.23 0.00 0.00 178.31 174.57 1th4 h ASN 266 N -0.10 -0.31 -0.68 0.41 2.35 -0.94 0.15 115.58 116.46 1th4 h ASN 266 Ca 0.28 0.05 0.13 0.00 -0.55 0.00 0.00 56.30 56.21 1th4 h ASN 266 Cb 0.57 0.14 -0.10 0.00 0.05 0.00 0.00 38.32 38.98 1th4 h ASN 266 CO -0.80 -0.15 0.19 0.00 -1.65 0.00 0.00 177.43 175.02 1th4 h ALA 267 N 0.82 0.87 0.49 -0.83 0.00 0.41 -2.00 119.26 119.01 1th4 h ALA 267 Ca 0.05 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1th4 h ALA 267 Cb 0.23 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1th4 h ALA 267 CO -0.12 -0.29 -0.23 0.82 0.00 0.00 0.00 179.25 179.43 1th4 h ILE 268 N 0.31 0.26 0.00 0.00 2.04 -0.86 -1.58 117.51 117.68 1th4 h ILE 268 Ca 0.37 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1th4 h ILE 268 Cb 0.58 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1th4 h ILE 268 CO -0.43 0.05 0.58 0.00 0.00 0.00 0.00 178.15 178.34 1th4 h ALA 269 N -0.86 1.52 -0.58 1.87 0.00 -0.36 1.19 119.26 122.04 1th4 h ALA 269 Ca -0.07 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 1th4 h ALA 269 Cb 0.58 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.26 1th4 h ALA 269 CO 0.11 -0.52 0.18 0.25 0.00 0.00 0.00 179.25 179.26 1th4 n THR 270 N -2.46 2.75 0.00 0.00 -2.24 -0.78 -4.93 114.28 106.63 1th4 n THR 270 Ca -0.01 -1.96 0.00 0.00 -2.27 0.00 0.00 64.05 59.81 1th4 n THR 270 Cb 0.60 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1th4 n THR 270 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1th4 n GLY 271 N -0.54 1.66 3.57 3.38 0.00 0.41 -4.88 105.19 108.79 1th4 n GLY 271 Ca 0.37 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.10 1th4 n GLY 271 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1th4 s ASN 272 N -0.67 5.32 0.07 1.61 2.47 -0.60 -4.92 114.94 118.21 1th4 s ASN 272 Ca 0.00 -1.07 -0.30 0.00 0.42 0.00 0.00 52.86 51.91 1th4 s ASN 272 Cb 0.00 -2.57 -0.05 0.00 -1.45 0.00 0.00 41.25 37.18 1th4 s ASN 272 CO 0.00 -2.65 0.95 -0.31 -3.72 0.00 0.00 177.10 171.38 1th4 s TYR 273 N 9.58 3.75 0.41 0.43 2.02 -1.26 -3.35 117.35 128.93 1th4 s TYR 273 Ca 0.67 1.74 -0.23 0.00 -0.37 0.00 0.00 57.07 58.87 1th4 s TYR 273 Cb -0.04 -3.06 -0.09 0.00 -0.40 0.00 0.00 41.96 38.37 1th4 s TYR 273 CO 0.02 0.13 1.02 -1.25 -1.57 0.00 0.00 175.55 173.90 1th4 s PRO 274 N 0.36 4.16 0.05 -1.71 0.04 -1.25 -4.88 135.00 131.77 1th4 s PRO 274 Ca 0.48 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1th4 s PRO 274 Cb -0.22 -2.44 -0.03 0.00 0.04 0.00 0.00 34.50 31.85 1th4 s PRO 274 CO 0.29 -0.12 -0.05 0.45 0.04 0.00 0.00 177.00 177.61 1th4 s SER 275 N -1.74 0.59 0.00 6.66 0.15 -1.26 -2.03 113.70 116.07 1th4 s SER 275 Ca 0.59 -0.74 0.00 0.00 0.70 0.00 0.00 55.95 56.50 1th4 s SER 275 Cb -0.19 0.12 -0.00 0.00 -1.71 0.00 0.00 66.02 64.24 1th4 s SER 275 CO 0.24 -0.40 -0.01 0.26 1.20 0.00 0.00 173.24 174.53 1th4 s TRP 276 N -2.54 0.05 0.01 3.44 0.51 -0.41 0.54 118.94 120.55 1th4 s TRP 276 Ca -0.03 -0.04 -0.07 0.00 -2.12 0.00 0.00 56.10 53.84 1th4 s TRP 276 Cb -0.02 -0.03 -0.05 0.00 -0.81 0.00 0.00 33.47 32.56 1th4 s TRP 276 CO -0.04 -0.01 0.29 0.99 -0.51 0.00 0.00 176.95 177.67 1th4 s THR 277 N -0.09 5.27 -0.10 2.01 2.01 0.25 0.32 115.64 125.31 1th4 s THR 277 Ca -0.01 0.22 -0.05 0.00 0.31 0.00 0.00 61.69 62.17 1th4 s THR 277 Cb -0.01 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.89 1th4 s THR 277 CO -0.00 0.37 0.10 -0.22 -0.69 0.00 0.00 174.62 174.17 1th4 s LEU 278 N -1.75 4.11 0.28 4.42 2.96 0.48 -1.09 118.68 128.10 1th4 s LEU 278 Ca 0.28 0.35 0.02 0.00 -0.22 0.00 0.00 54.13 54.55 1th4 s LEU 278 Cb -0.13 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 1th4 s LEU 278 CO 0.16 0.39 0.26 -0.31 -1.32 0.00 0.00 176.35 175.53 1th4 s TYR 279 N -1.00 1.36 0.17 5.38 1.51 0.17 -0.36 117.35 124.57 1th4 s TYR 279 Ca 0.15 -1.45 -0.22 0.00 -1.01 0.00 0.00 57.07 54.54 1th4 s TYR 279 Cb -0.12 -0.52 0.06 0.00 -0.11 0.00 0.00 41.96 41.27 1th4 s TYR 279 CO 0.05 -0.83 0.58 0.96 -1.11 0.00 0.00 175.55 175.20 1th4 s ILE 280 N -3.70 0.01 -0.10 2.71 -0.00 -1.13 -2.06 121.20 116.94 1th4 s ILE 280 Ca 0.38 -0.19 0.04 0.00 -0.00 0.00 0.00 60.65 60.87 1th4 s ILE 280 Cb 0.04 -1.13 0.00 0.00 -0.00 0.00 0.00 42.46 41.36 1th4 s ILE 280 CO 0.20 -0.05 -0.23 -1.10 -0.00 0.00 0.00 174.94 173.76 1th4 s GLN 281 N -3.78 2.97 -0.14 0.37 -0.21 -1.01 -1.75 119.66 116.11 1th4 s GLN 281 Ca 0.02 -0.85 -0.07 0.00 0.02 0.00 0.00 55.36 54.48 1th4 s GLN 281 Cb -0.01 -2.25 -0.04 0.00 1.00 0.00 0.00 33.01 31.71 1th4 s GLN 281 CO -0.11 0.17 0.10 0.08 -2.12 0.00 0.00 175.29 173.41 1th4 s VAL 282 N 0.37 5.18 -0.02 1.09 1.01 -1.26 -1.89 120.40 124.87 1th4 s VAL 282 Ca -0.19 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 1th4 s VAL 282 Cb -0.18 -3.28 0.02 0.00 0.00 0.00 0.00 36.38 32.95 1th4 s VAL 282 CO 0.08 0.56 0.04 -0.32 0.00 0.00 0.00 175.10 175.47 1th4 s MET 283 N -0.53 -0.00 0.12 2.72 0.00 0.82 -4.97 119.30 117.45 1th4 s MET 283 Ca 0.12 0.17 -0.25 0.00 0.00 0.00 0.00 55.69 55.72 1th4 s MET 283 Cb -0.12 -0.17 -0.07 0.00 0.00 0.00 0.00 34.83 34.47 1th4 s MET 283 CO 0.02 -0.13 0.78 0.95 0.00 0.00 0.00 175.02 176.65 1th4 s THR 284 N 0.82 4.49 0.47 10.11 -4.23 -1.26 -1.37 115.64 124.68 1th4 s THR 284 Ca -0.07 1.70 0.32 0.00 -1.18 0.00 0.00 61.69 62.47 1th4 s THR 284 Cb -0.09 -4.14 0.52 0.00 1.34 0.00 0.00 72.50 70.13 1th4 s THR 284 CO -0.03 0.46 1.69 -0.26 -0.54 0.00 0.00 174.62 175.94 1th4 h PHE 285 N 4.84 0.35 0.58 3.99 -1.00 -1.96 1.81 116.94 125.55 1th4 h PHE 285 Ca -0.46 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.31 1th4 h PHE 285 Cb 1.21 -0.09 0.01 0.00 3.61 0.00 0.00 35.95 40.68 1th4 h PHE 285 CO 0.64 -0.07 -0.28 0.77 -1.61 0.00 0.00 178.31 177.77 1th4 h SER 286 N 0.12 -0.66 0.20 2.17 0.02 -1.98 0.08 113.55 113.50 1th4 h SER 286 Ca 0.73 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.65 1th4 h SER 286 Cb 2.47 0.17 -0.02 0.00 0.14 0.00 0.00 62.40 65.16 1th4 h SER 286 CO -0.23 -0.30 -0.20 -0.33 -1.14 0.00 0.00 176.83 174.62 1th4 h GLU 287 N -1.06 -0.42 -0.59 3.45 5.08 0.13 0.49 114.58 121.66 1th4 h GLU 287 Ca -0.08 0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.48 1th4 h GLU 287 Cb 0.66 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1th4 h GLU 287 CO 0.13 -0.28 0.73 0.00 -1.00 0.00 0.00 179.01 178.58 1th4 h ALA 288 N 0.30 2.35 0.18 3.43 0.00 0.21 1.65 119.26 127.37 1th4 h ALA 288 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1th4 h ALA 288 Cb 0.41 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1th4 h ALA 288 CO -0.05 -1.03 -0.08 1.49 0.00 0.00 0.00 179.25 179.58 1th4 h GLU 289 N 0.00 -0.23 -0.57 0.00 4.57 0.20 -3.34 114.58 115.22 1th4 h GLU 289 Ca 0.28 0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 58.37 1th4 h GLU 289 Cb 1.73 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 30.35 1th4 h GLU 289 CO -0.00 0.18 -0.06 0.82 -1.18 0.00 0.00 179.01 178.77 1th4 h ILE 290 N -0.87 1.27 -0.30 2.32 2.04 0.34 -3.46 117.51 118.84 1th4 h ILE 290 Ca -0.02 -1.21 -0.20 0.00 1.00 0.00 0.00 64.86 64.42 1th4 h ILE 290 Cb 0.52 0.89 0.03 0.00 -0.74 0.00 0.00 36.82 37.52 1th4 h ILE 290 CO 0.04 0.43 -0.13 0.33 0.00 0.00 0.00 178.15 178.82 1th4 n PHE 291 N -4.16 -0.10 0.35 1.37 -0.00 0.38 -4.75 117.46 110.55 1th4 n PHE 291 Ca 0.02 0.29 0.14 0.00 -0.00 0.00 0.00 57.45 57.90 1th4 n PHE 291 Cb 0.38 -0.59 0.57 0.00 -0.00 0.00 0.00 39.48 39.84 1th4 n PHE 291 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 1th4 h PRO 292 N 0.38 0.00 0.00 -7.13 0.11 -1.90 -3.46 132.00 120.00 1th4 h PRO 292 Ca -0.09 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.84 1th4 h PRO 292 Cb 0.43 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.50 1th4 h PRO 292 CO 0.17 0.00 -0.14 1.19 -0.21 0.00 0.00 178.00 179.01 1th4 n PHE 293 N -2.48 0.13 -2.73 0.65 3.72 -1.26 -5.09 117.46 110.40 1th4 n PHE 293 Ca 0.01 -0.78 -0.43 0.00 -0.05 0.00 0.00 57.45 56.20 1th4 n PHE 293 Cb 0.23 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.71 1th4 n PHE 293 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1th4 s ASN 294 N -1.78 6.69 0.20 4.37 2.47 -1.26 -4.89 114.94 120.73 1th4 s ASN 294 Ca 0.05 0.57 0.13 0.00 0.42 0.00 0.00 52.86 54.02 1th4 s ASN 294 Cb 0.00 -2.50 0.69 0.00 -1.45 0.00 0.00 41.25 38.00 1th4 s ASN 294 CO 0.03 -0.98 1.37 -2.65 -3.72 0.00 0.00 177.10 171.15 1th4 n PRO 295 N 7.09 0.08 -0.73 0.43 -0.02 -1.26 -1.48 135.00 139.12 1th4 n PRO 295 Ca 0.09 0.57 -0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1th4 n PRO 295 Cb 0.48 -1.81 0.20 0.00 -0.02 0.00 0.00 33.50 32.36 1th4 n PRO 295 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1th4 n PHE 296 N -1.94 0.67 -3.12 6.00 3.72 -1.26 -4.66 117.46 116.87 1th4 n PHE 296 Ca -0.01 -1.56 -0.45 0.00 -0.05 0.00 0.00 57.45 55.38 1th4 n PHE 296 Cb 0.06 -0.40 -0.05 0.00 -0.94 0.00 0.00 39.48 38.15 1th4 n PHE 296 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1th4 s ASP 297 N -2.81 6.18 0.59 4.37 -1.08 -0.55 -4.12 116.67 119.26 1th4 s ASP 297 Ca 0.42 -1.43 0.30 0.00 -0.52 0.00 0.00 52.55 51.31 1th4 s ASP 297 Cb 0.39 -2.30 1.30 0.00 -1.46 0.00 0.00 42.92 40.86 1th4 s ASP 297 CO -0.03 -1.10 1.66 0.25 0.52 0.00 0.00 175.17 176.47 1th4 h LEU 298 N 9.93 0.00 -0.08 -1.34 5.85 -1.88 0.21 115.31 127.99 1th4 h LEU 298 Ca -0.29 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1th4 h LEU 298 Cb 1.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1th4 h LEU 298 CO 1.10 0.00 0.00 0.35 -0.34 0.00 0.00 178.44 179.55 1th4 n THR 299 N -3.59 0.46 -3.72 1.05 -2.24 -1.26 -2.53 114.28 102.45 1th4 n THR 299 Ca 0.17 0.03 -0.23 0.00 -2.27 0.00 0.00 64.05 61.75 1th4 n THR 299 Cb 1.10 -0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 1th4 n THR 299 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1th4 s LYS 300 N -3.06 2.41 0.12 -0.78 3.01 0.73 -4.78 119.74 117.40 1th4 s LYS 300 Ca 0.10 -1.69 0.04 0.00 -1.01 0.00 0.00 55.97 53.42 1th4 s LYS 300 Cb 0.14 -2.25 -0.04 0.00 -1.01 0.00 0.00 37.83 34.67 1th4 s LYS 300 CO 0.46 -0.27 -0.11 0.14 0.51 0.00 0.00 175.35 176.09 1th4 s VAL 301 N -2.56 1.11 -0.58 3.17 -7.23 -1.26 -4.71 120.40 108.34 1th4 s VAL 301 Ca 0.45 -1.83 -0.20 0.00 -1.81 0.00 0.00 61.98 58.58 1th4 s VAL 301 Cb -0.02 -1.60 0.08 0.00 0.56 0.00 0.00 36.38 35.41 1th4 s VAL 301 CO 0.26 -0.61 0.74 0.26 -0.31 0.00 0.00 175.10 175.44 1th4 s TRP 302 N -2.76 2.94 0.29 2.82 0.52 -1.26 -5.02 118.94 116.47 1th4 s TRP 302 Ca 0.11 -0.75 -0.26 0.00 0.02 0.00 0.00 56.10 55.22 1th4 s TRP 302 Cb -0.01 -3.95 -0.15 0.00 -1.15 0.00 0.00 33.47 28.21 1th4 s TRP 302 CO 0.01 -1.30 0.66 -2.30 0.02 0.00 0.00 176.95 174.04 1th4 n PRO 303 N 6.59 0.56 0.03 4.98 -0.02 -1.26 -4.70 135.00 141.17 1th4 n PRO 303 Ca -0.07 0.20 -0.10 0.00 -2.02 0.00 0.00 63.50 61.50 1th4 n PRO 303 Cb 0.44 -1.38 -0.04 0.00 -0.02 0.00 0.00 33.50 32.50 1th4 n PRO 303 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1th4 h HIS 304 N 1.24 -0.28 -0.01 6.00 3.86 -1.96 0.26 115.15 124.25 1th4 h HIS 304 Ca -0.35 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 58.89 1th4 h HIS 304 Cb 1.40 0.13 -0.05 0.00 1.06 0.00 0.00 27.41 29.95 1th4 h HIS 304 CO 0.42 -0.17 -0.45 0.78 0.86 0.00 0.00 177.93 179.37 1th4 h GLY 305 N -0.16 -1.17 2.00 2.45 0.00 -1.98 0.22 103.07 104.43 1th4 h GLY 305 Ca 0.06 0.66 -0.03 0.00 0.00 0.00 0.00 47.33 48.02 1th4 h GLY 305 CO -0.15 -0.28 -0.15 -0.55 0.00 0.00 0.00 176.54 175.41 1th4 h ASP 306 N -0.56 0.00 -2.48 0.19 3.32 -1.91 -3.36 116.42 111.61 1th4 h ASP 306 Ca 0.01 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.52 1th4 h ASP 306 Cb 0.61 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 39.78 1th4 h ASP 306 CO -0.31 0.15 -0.82 -0.31 -1.72 0.00 0.00 179.24 176.23 1th4 s TYR 307 N -4.19 0.51 0.85 4.55 2.02 0.91 -5.03 117.35 116.98 1th4 s TYR 307 Ca -0.03 -1.44 -0.11 0.00 -0.37 0.00 0.00 57.07 55.13 1th4 s TYR 307 Cb 0.13 -0.82 0.10 0.00 -0.40 0.00 0.00 41.96 40.98 1th4 s TYR 307 CO 0.61 -0.85 1.09 -2.14 -1.57 0.00 0.00 175.55 172.69 1th4 s PRO 308 N 1.19 1.59 -0.23 -1.71 0.02 0.64 -3.99 135.00 132.50 1th4 s PRO 308 Ca 0.17 1.04 -0.13 0.00 0.02 0.00 0.00 61.00 62.10 1th4 s PRO 308 Cb -0.21 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.43 1th4 s PRO 308 CO -0.02 -2.07 0.27 -0.51 -0.33 0.00 0.00 177.00 174.34 1th4 s LEU 309 N -6.16 4.11 0.08 -5.54 1.02 -1.26 -4.56 118.68 106.37 1th4 s LEU 309 Ca 0.63 0.26 -0.24 0.00 0.02 0.00 0.00 54.13 54.80 1th4 s LEU 309 Cb -0.18 -2.29 -0.06 0.00 0.02 0.00 0.00 46.19 43.67 1th4 s LEU 309 CO 0.57 -0.03 0.73 -0.63 0.02 0.00 0.00 176.35 177.01 1th4 s ILE 310 N 1.33 4.63 0.09 -0.59 1.09 -0.72 -4.84 121.20 122.20 1th4 s ILE 310 Ca 0.12 1.57 -0.30 0.00 -1.10 0.00 0.00 60.65 60.94 1th4 s ILE 310 Cb -0.14 -4.08 -0.06 0.00 -1.06 0.00 0.00 42.46 37.12 1th4 s ILE 310 CO 0.07 0.44 1.19 -2.16 -0.10 0.00 0.00 174.94 174.38 1th4 s PRO 311 N -0.55 4.45 0.00 2.79 0.04 -1.26 -2.82 135.00 137.66 1th4 s PRO 311 Ca 0.36 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1th4 s PRO 311 Cb -0.21 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.00 1th4 s PRO 311 CO 0.23 -0.20 0.00 0.28 0.04 0.00 0.00 177.00 177.35 1th4 n VAL 312 N 3.59 0.00 -2.55 -0.36 0.31 0.51 -4.68 118.33 115.16 1th4 n VAL 312 Ca 0.08 0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 1th4 n VAL 312 Cb 0.46 -0.97 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 1th4 n VAL 312 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1th4 n GLY 313 N 2.70 3.16 3.61 2.92 0.00 -1.24 -1.14 105.19 115.20 1th4 n GLY 313 Ca 0.00 -0.99 -0.27 0.00 0.00 0.00 0.00 46.02 44.76 1th4 n GLY 313 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1th4 s LYS 314 N 0.03 2.22 -0.41 1.61 2.47 -0.03 -0.38 119.74 125.24 1th4 s LYS 314 Ca 0.00 -1.16 0.03 0.00 -1.56 0.00 0.00 55.97 53.28 1th4 s LYS 314 Cb 0.00 -2.27 0.12 0.00 -1.46 0.00 0.00 37.83 34.22 1th4 s LYS 314 CO 0.00 0.46 0.16 -0.51 0.16 0.00 0.00 175.35 175.62 1th4 s LEU 315 N -2.77 3.82 -0.11 5.43 1.43 0.15 -0.76 118.68 125.88 1th4 s LEU 315 Ca 0.25 -2.45 -0.11 0.00 -1.03 0.00 0.00 54.13 50.79 1th4 s LEU 315 Cb -0.09 -1.40 -0.05 0.00 0.03 0.00 0.00 46.19 44.68 1th4 s LEU 315 CO 0.16 -0.32 0.26 -0.69 0.23 0.00 0.00 176.35 175.99 1th4 s VAL 316 N 0.52 5.31 -0.73 -1.59 1.01 -0.94 -1.28 120.40 122.70 1th4 s VAL 316 Ca 0.14 0.47 -0.01 0.00 0.00 0.00 0.00 61.98 62.58 1th4 s VAL 316 Cb -0.22 -3.56 0.18 0.00 0.00 0.00 0.00 36.38 32.78 1th4 s VAL 316 CO -0.06 0.52 0.56 -0.76 0.00 0.00 0.00 175.10 175.36 1th4 s LEU 317 N -0.48 5.26 -0.39 3.92 1.43 -0.86 -2.03 118.68 125.53 1th4 s LEU 317 Ca 0.17 -3.29 0.05 0.00 -1.03 0.00 0.00 54.13 50.03 1th4 s LEU 317 Cb -0.13 -1.84 0.47 0.00 0.03 0.00 0.00 46.19 44.71 1th4 s LEU 317 CO 0.06 -0.26 1.46 -0.46 0.23 0.00 0.00 176.35 177.38 1th4 n ASN 318 N 2.87 5.10 -3.64 2.29 6.94 -1.17 -3.90 115.26 123.76 1th4 n ASN 318 Ca 0.14 -3.77 -0.15 0.00 -0.02 0.00 0.00 54.58 50.78 1th4 n ASN 318 Cb 0.37 -0.57 -0.08 0.00 -2.36 0.00 0.00 39.78 37.15 1th4 n ASN 318 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1th4 s ARG 319 N -3.59 0.79 0.09 -3.83 3.52 -0.58 -4.91 118.95 110.43 1th4 s ARG 319 Ca 0.53 0.54 0.05 0.00 -0.13 0.00 0.00 55.73 56.72 1th4 s ARG 319 Cb 0.43 0.38 -0.04 0.00 -1.56 0.00 0.00 34.95 34.16 1th4 s ARG 319 CO 0.02 -0.16 -0.02 -0.80 -0.81 0.00 0.00 175.30 173.52 1th4 s ASN 320 N -0.31 4.89 0.62 -2.12 0.01 -1.26 -2.33 114.94 114.44 1th4 s ASN 320 Ca -0.05 -0.21 -0.18 0.00 -0.71 0.00 0.00 52.86 51.71 1th4 s ASN 320 Cb -0.03 -1.13 -0.02 0.00 0.41 0.00 0.00 41.25 40.48 1th4 s ASN 320 CO 0.04 0.18 1.19 -2.16 -1.51 0.00 0.00 177.10 174.83 1th4 s PRO 321 N -2.25 2.86 -0.16 -0.60 0.04 -1.26 -4.86 135.00 128.78 1th4 s PRO 321 Ca 0.25 1.74 -0.13 0.00 0.04 0.00 0.00 61.00 62.89 1th4 s PRO 321 Cb -0.12 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 1th4 s PRO 321 CO 0.17 -1.27 -0.02 0.28 0.04 0.00 0.00 177.00 176.20 1th4 h VAL 322 N 0.63 0.34 -3.12 -0.36 2.07 -1.99 -3.45 116.25 110.37 1th4 h VAL 322 Ca -0.49 -1.43 -0.67 0.00 0.82 0.00 0.00 66.70 64.93 1th4 h VAL 322 Cb 1.29 0.82 -0.34 0.00 -1.52 0.00 0.00 31.29 31.53 1th4 h VAL 322 CO 0.54 0.12 -0.86 0.21 0.02 0.00 0.00 177.57 177.60 1th4 s ASN 323 N -6.11 3.17 0.04 0.57 3.84 -1.26 -5.04 114.94 110.15 1th4 s ASN 323 Ca -0.19 -0.62 -0.21 0.00 0.21 0.00 0.00 52.86 52.05 1th4 s ASN 323 Cb 0.03 -1.48 -0.14 0.00 -0.55 0.00 0.00 41.25 39.12 1th4 s ASN 323 CO 0.34 0.03 1.40 0.22 -2.79 0.00 0.00 177.10 176.30 1th4 h TYR 324 N 7.73 0.36 -0.85 0.43 3.20 -1.97 -1.75 116.97 124.11 1th4 h TYR 324 Ca -0.41 -0.09 0.02 0.00 3.14 0.00 0.00 58.73 61.39 1th4 h TYR 324 Cb 1.16 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 39.30 1th4 h TYR 324 CO 0.47 0.63 0.56 0.35 -1.64 0.00 0.00 178.16 178.54 1th4 h PHE 325 N -0.02 1.06 0.00 -3.82 3.57 -1.96 0.14 116.94 115.91 1th4 h PHE 325 Ca 0.03 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.44 1th4 h PHE 325 Cb 0.54 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 1th4 h PHE 325 CO 0.07 0.65 -0.64 0.00 -2.23 0.00 0.00 178.31 176.16 1th4 h ALA 326 N 1.33 0.66 0.00 2.41 0.00 -1.98 -3.12 119.26 118.55 1th4 h ALA 326 Ca 0.32 -0.51 -0.31 0.00 0.00 0.00 0.00 54.91 54.41 1th4 h ALA 326 Cb -0.09 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 1th4 h ALA 326 CO -0.08 0.68 -2.16 0.39 0.00 0.00 0.00 179.25 178.07 1th4 n GLU 327 N -3.18 0.99 -0.04 0.00 1.02 -0.66 -4.60 120.64 114.17 1th4 n GLU 327 Ca 0.00 0.05 -0.05 0.00 -0.02 0.00 0.00 57.16 57.14 1th4 n GLU 327 Cb 0.75 -1.42 -0.02 0.00 -0.02 0.00 0.00 31.44 30.73 1th4 n GLU 327 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1th4 n VAL 328 N -2.82 1.22 -0.34 2.62 0.31 0.42 -3.90 118.33 115.84 1th4 n VAL 328 Ca -0.31 0.24 0.30 0.00 -0.01 0.00 0.00 64.34 64.55 1th4 n VAL 328 Cb 0.98 -2.01 0.55 0.00 -0.91 0.00 0.00 33.84 32.46 1th4 n VAL 328 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1th4 h GLU 329 N -0.60 0.13 0.00 5.55 4.57 -1.44 0.78 114.58 123.57 1th4 h GLU 329 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1th4 h GLU 329 Cb 0.60 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 1th4 h GLU 329 CO 0.00 0.08 -0.51 1.04 -1.18 0.00 0.00 179.01 178.44 1th4 n GLN 330 N -5.12 0.14 -1.65 1.92 6.02 -1.18 -4.90 117.38 112.62 1th4 n GLN 330 Ca 0.36 0.04 -0.52 0.00 -0.01 0.00 0.00 57.00 56.87 1th4 n GLN 330 Cb 1.19 -1.59 -0.06 0.00 1.02 0.00 0.00 30.24 30.80 1th4 n GLN 330 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1th4 n LEU 331 N -1.80 2.30 -4.13 1.08 4.77 0.27 -4.90 117.00 114.59 1th4 n LEU 331 Ca 0.05 1.08 -0.32 0.00 -0.03 0.00 0.00 56.01 56.79 1th4 n LEU 331 Cb 0.39 -1.23 -0.16 0.00 -2.33 0.00 0.00 43.42 40.08 1th4 n LEU 331 CO 0.35 -0.63 -0.53 0.00 -1.33 0.00 0.00 177.39 175.25 1th4 s ALA 332 N 1.89 2.14 -0.20 -1.18 0.00 -1.26 -5.03 121.76 118.12 1th4 s ALA 332 Ca 0.89 -1.04 -0.02 0.00 0.00 0.00 0.00 51.96 51.79 1th4 s ALA 332 Cb -0.92 -1.01 0.00 0.00 0.00 0.00 0.00 23.12 21.20 1th4 s ALA 332 CO 0.52 -0.13 -0.11 -0.06 0.00 0.00 0.00 175.76 175.98 1th4 s PHE 333 N 0.99 2.88 -0.26 0.00 0.40 -1.26 -4.97 117.98 115.76 1th4 s PHE 333 Ca -0.04 -1.19 -0.01 0.00 -0.60 0.00 0.00 56.93 55.09 1th4 s PHE 333 Cb -0.15 -2.02 0.03 0.00 0.51 0.00 0.00 43.02 41.39 1th4 s PHE 333 CO -0.05 -0.63 -0.05 -0.51 0.70 0.00 0.00 175.22 174.68 1th4 s ASP 334 N 1.36 4.47 0.30 1.36 1.01 -1.26 -4.86 116.67 119.05 1th4 s ASP 334 Ca 0.05 -1.01 0.11 0.00 0.71 0.00 0.00 52.55 52.41 1th4 s ASP 334 Cb -0.14 -1.67 0.61 0.00 1.01 0.00 0.00 42.92 42.73 1th4 s ASP 334 CO -0.06 -0.17 1.22 -2.65 0.21 0.00 0.00 175.17 173.72 1th4 n PRO 335 N 4.64 0.08 0.07 8.23 -0.02 -1.26 -0.83 135.00 145.91 1th4 n PRO 335 Ca -0.15 0.54 -0.05 0.00 -2.02 0.00 0.00 63.50 61.82 1th4 n PRO 335 Cb 0.46 -2.08 0.13 0.00 -0.02 0.00 0.00 33.50 31.99 1th4 n PRO 335 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1th4 h SER 336 N 0.00 0.34 -0.58 2.55 4.64 -1.86 -3.41 113.55 115.23 1th4 h SER 336 Ca 0.00 -0.18 -0.10 0.00 -0.47 0.00 0.00 61.79 61.04 1th4 h SER 336 Cb 0.65 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1th4 h SER 336 CO 0.00 0.81 0.33 0.20 -0.87 0.00 0.00 176.83 177.30 1th4 s ASN 337 N -6.89 4.10 -0.11 4.97 0.02 -0.01 -4.88 114.94 112.14 1th4 s ASN 337 Ca -0.05 0.12 0.01 0.00 -1.02 0.00 0.00 52.86 51.92 1th4 s ASN 337 Cb 0.12 -2.54 0.02 0.00 0.02 0.00 0.00 41.25 38.87 1th4 s ASN 337 CO 0.80 -3.62 -0.11 -0.04 0.02 0.00 0.00 177.10 174.15 1th4 s MET 338 N 8.60 1.83 0.68 -0.60 -1.94 -1.26 -2.28 119.30 124.33 1th4 s MET 338 Ca 0.91 -0.40 -0.13 0.00 -1.71 0.00 0.00 55.69 54.36 1th4 s MET 338 Cb -0.13 -1.70 0.01 0.00 2.01 0.00 0.00 34.83 35.02 1th4 s MET 338 CO 0.10 -0.16 1.08 -2.14 -0.01 0.00 0.00 175.02 173.88 1th4 s PRO 339 N 1.31 2.83 -0.49 2.03 0.02 -1.24 -4.84 135.00 134.62 1th4 s PRO 339 Ca -0.01 1.16 -0.29 0.00 0.02 0.00 0.00 61.00 61.88 1th4 s PRO 339 Cb -0.14 -1.97 -0.09 0.00 0.02 0.00 0.00 34.50 32.32 1th4 s PRO 339 CO -0.05 -1.20 2.39 -2.30 -0.33 0.00 0.00 177.00 175.51 1th4 n PRO 340 N -2.82 1.07 0.00 5.54 -0.02 -1.26 -1.04 135.00 136.46 1th4 n PRO 340 Ca 0.09 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 1th4 n PRO 340 Cb 0.53 -2.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.02 1th4 n PRO 340 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1th4 n GLY 341 N 6.12 0.37 2.66 -1.23 0.00 -1.26 -4.19 105.19 107.66 1th4 n GLY 341 Ca 0.40 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.20 1th4 n GLY 341 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1th4 s ILE 342 N 0.00 -0.13 0.27 -0.61 1.01 -0.21 -2.51 121.20 119.02 1th4 s ILE 342 Ca 0.00 0.10 0.11 0.00 0.00 0.00 0.00 60.65 60.86 1th4 s ILE 342 Cb 0.00 -0.40 -0.05 0.00 0.01 0.00 0.00 42.46 42.02 1th4 s ILE 342 CO 0.00 -0.07 -0.18 -1.61 0.00 0.00 0.00 174.94 173.07 1th4 s GLU 343 N 2.18 1.63 0.50 2.79 2.02 0.04 -4.32 118.70 123.54 1th4 s GLU 343 Ca 0.04 -1.75 -0.08 0.00 0.02 0.00 0.00 54.97 53.19 1th4 s GLU 343 Cb -0.14 -1.65 0.12 0.00 0.10 0.00 0.00 34.13 32.56 1th4 s GLU 343 CO -0.07 0.29 0.50 -0.35 0.02 0.00 0.00 175.26 175.66 1th4 n PRO 344 N -0.59 -1.57 -4.34 0.39 -0.04 -1.26 0.02 135.00 127.61 1th4 n PRO 344 Ca -0.06 -0.79 -0.18 0.00 -0.04 0.00 0.00 63.50 62.43 1th4 n PRO 344 Cb 0.60 -0.68 -0.10 0.00 -0.04 0.00 0.00 33.50 33.28 1th4 n PRO 344 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1th4 s SER 345 N -2.87 2.24 0.00 3.54 1.04 -1.23 -3.89 113.70 112.53 1th4 s SER 345 Ca 0.31 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.63 1th4 s SER 345 Cb -0.02 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.02 1th4 s SER 345 CO 0.23 -0.34 0.15 -2.65 0.98 0.00 0.00 173.24 171.61 1th4 n PRO 346 N -0.40 0.23 -1.52 4.02 -0.02 -1.26 -4.60 135.00 131.45 1th4 n PRO 346 Ca -0.07 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.00 1th4 n PRO 346 Cb 0.62 -1.08 -0.06 0.00 -0.02 0.00 0.00 33.50 32.95 1th4 n PRO 346 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1th4 n ASP 347 N 0.14 1.95 -0.40 2.55 -0.08 -1.26 -4.75 116.55 114.70 1th4 n ASP 347 Ca 0.00 -0.08 0.32 0.00 -1.51 0.00 0.00 54.79 53.52 1th4 n ASP 347 Cb 0.04 -1.37 0.61 0.00 2.34 0.00 0.00 41.12 42.74 1th4 n ASP 347 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1th4 h LYS 348 N 15.92 0.18 0.00 -0.67 1.57 -1.80 0.32 116.57 132.10 1th4 h LYS 348 Ca -0.22 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1th4 h LYS 348 Cb 1.29 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1th4 h LYS 348 CO 1.15 0.12 -0.00 0.52 -0.57 0.00 0.00 179.45 180.67 1th4 h MET 349 N 0.18 -0.00 -0.02 3.15 2.86 -1.84 -3.25 114.93 116.02 1th4 h MET 349 Ca 0.73 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 58.37 1th4 h MET 349 Cb 2.22 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.88 1th4 h MET 349 CO -0.33 0.46 0.01 1.25 1.06 0.00 0.00 176.91 179.35 1th4 h LEU 350 N -0.47 0.03 -0.87 1.22 5.85 -0.85 -2.88 115.31 117.34 1th4 h LEU 350 Ca -0.00 -0.05 0.23 0.00 0.84 0.00 0.00 57.88 58.90 1th4 h LEU 350 Cb 0.46 -0.01 -0.16 0.00 0.37 0.00 0.00 40.66 41.32 1th4 h LEU 350 CO 0.00 0.07 -0.03 0.00 -0.34 0.00 0.00 178.44 178.14 1th4 n GLN 351 N -5.05 -0.07 0.07 1.25 1.13 0.42 0.22 117.38 115.35 1th4 n GLN 351 Ca -0.07 1.31 -0.12 0.00 -1.94 0.00 0.00 57.00 56.18 1th4 n GLN 351 Cb 0.05 -2.06 -0.07 0.00 0.11 0.00 0.00 30.24 28.27 1th4 n GLN 351 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1th4 h GLY 352 N 0.00 -0.10 0.26 1.08 0.00 -1.54 -2.79 103.07 99.98 1th4 h GLY 352 Ca 0.51 0.06 0.18 0.00 0.00 0.00 0.00 47.33 48.07 1th4 h GLY 352 CO -0.83 -0.06 0.61 3.21 0.00 0.00 0.00 176.54 179.47 1th4 h ARG 353 N -0.12 0.69 -0.93 4.80 3.08 -0.27 -0.29 114.38 121.35 1th4 h ARG 353 Ca 0.00 -0.04 0.27 0.00 0.07 0.00 0.00 59.98 60.29 1th4 h ARG 353 Cb 0.12 -0.16 -0.16 0.00 0.08 0.00 0.00 29.97 29.86 1th4 h ARG 353 CO -0.02 0.46 0.26 -0.07 -1.07 0.00 0.00 179.97 179.53 1th4 h LEU 354 N 0.72 -0.02 0.05 3.04 3.38 -1.14 -2.51 115.31 118.83 1th4 h LEU 354 Ca 0.53 0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.72 1th4 h LEU 354 Cb 0.88 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1th4 h LEU 354 CO -0.30 -0.23 -0.02 0.15 0.09 0.00 0.00 178.44 178.13 1th4 h PHE 355 N 0.15 -0.06 -0.25 1.13 3.57 -1.16 -3.42 116.94 116.89 1th4 h PHE 355 Ca 0.62 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 62.17 1th4 h PHE 355 Cb 1.33 0.02 -0.08 0.00 2.79 0.00 0.00 35.95 40.01 1th4 h PHE 355 CO -0.26 0.40 -0.36 0.00 -2.23 0.00 0.00 178.31 175.86 1th4 h ALA 356 N -0.49 -0.37 -0.15 2.41 0.00 -1.15 -2.93 119.26 116.59 1th4 h ALA 356 Ca -0.01 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1th4 h ALA 356 Cb 0.49 0.71 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 1th4 h ALA 356 CO 0.01 -0.81 -0.35 1.88 0.00 0.00 0.00 179.25 179.98 1th4 h TYR 357 N -0.36 -0.97 -0.50 0.00 -1.99 -1.78 0.60 116.97 111.96 1th4 h TYR 357 Ca 0.12 0.04 -0.06 0.00 2.00 0.00 0.00 58.73 60.84 1th4 h TYR 357 Cb 0.57 0.45 -0.02 0.00 2.00 0.00 0.00 36.73 39.72 1th4 h TYR 357 CO -0.49 -0.42 0.08 -1.35 -0.00 0.00 0.00 178.16 175.97 1th4 h PRO 358 N -0.42 0.78 -0.49 4.88 0.11 -1.82 0.11 132.00 135.15 1th4 h PRO 358 Ca 0.09 -0.17 0.07 0.00 0.11 0.00 0.00 66.00 66.11 1th4 h PRO 358 Cb 0.57 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 31.51 1th4 h PRO 358 CO -0.38 0.73 0.15 0.22 -0.21 0.00 0.00 178.00 178.51 1th4 h ASP 359 N 0.74 0.11 0.16 -2.05 3.58 -1.06 0.23 116.42 118.13 1th4 h ASP 359 Ca 0.16 0.07 -0.30 0.00 0.42 0.00 0.00 57.03 57.38 1th4 h ASP 359 Cb 0.34 0.07 0.03 0.00 1.72 0.00 0.00 39.33 41.49 1th4 h ASP 359 CO 0.01 0.09 -1.24 0.74 -2.88 0.00 0.00 179.24 175.95 1th4 h THR 360 N 0.31 1.30 -0.13 2.25 2.02 -0.64 -3.16 112.91 114.85 1th4 h THR 360 Ca 0.24 -2.49 0.02 0.00 0.77 0.00 0.00 66.41 64.95 1th4 h THR 360 Cb 0.28 2.70 -0.01 0.00 -1.74 0.00 0.00 68.15 69.39 1th4 h THR 360 CO -0.27 0.76 0.09 0.45 0.37 0.00 0.00 175.52 176.91 1th4 h HIS 361 N 0.27 0.06 0.00 3.16 3.86 -0.37 0.84 115.15 122.97 1th4 h HIS 361 Ca -0.18 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.02 1th4 h HIS 361 Cb 1.91 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 30.36 1th4 h HIS 361 CO 0.11 0.04 -0.02 0.00 0.86 0.00 0.00 177.93 178.92 1th4 h ARG 362 N 0.07 0.00 0.00 2.45 3.08 -0.52 -2.43 114.38 117.02 1th4 h ARG 362 Ca 0.06 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.81 1th4 h ARG 362 Cb 0.14 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.14 1th4 h ARG 362 CO -0.01 0.02 -2.11 1.58 -1.07 0.00 0.00 179.97 178.39 1th4 n HIS 363 N -3.11 0.00 0.09 3.04 -0.00 0.17 -2.76 115.22 112.65 1th4 n HIS 363 Ca 0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.50 1th4 n HIS 363 Cb 0.36 -0.79 -0.15 0.00 -0.00 0.00 0.00 29.99 29.40 1th4 n HIS 363 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 1th4 h ARG 364 N 0.00 0.42 0.00 1.57 2.43 0.34 -3.40 114.38 115.74 1th4 h ARG 364 Ca -0.44 -0.71 -0.37 0.00 -0.81 0.00 0.00 59.98 57.65 1th4 h ARG 364 Cb 1.98 0.26 -0.07 0.00 -0.42 0.00 0.00 29.97 31.72 1th4 h ARG 364 CO 0.02 1.34 -2.39 1.28 -1.51 0.00 0.00 179.97 178.71 1th4 n LEU 365 N -3.85 1.27 0.00 3.80 4.77 -0.94 -4.63 117.00 117.41 1th4 n LEU 365 Ca -0.18 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1th4 n LEU 365 Cb 0.99 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.97 1th4 n LEU 365 CO 0.54 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.88 1th4 n GLY 366 N 1.95 3.85 0.42 -0.72 0.00 -1.05 -4.69 105.19 104.94 1th4 n GLY 366 Ca -0.37 -1.72 0.23 0.00 0.00 0.00 0.00 46.02 44.15 1th4 n GLY 366 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1th4 h PRO 367 N 0.00 0.16 -0.59 1.61 0.11 -1.78 -1.62 132.00 129.88 1th4 h PRO 367 Ca 0.00 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.98 1th4 h PRO 367 Cb 0.00 -0.04 -0.07 0.00 0.11 0.00 0.00 31.00 31.01 1th4 h PRO 367 CO 0.00 0.10 0.13 0.09 -0.21 0.00 0.00 178.00 178.11 1th4 n ASN 368 N -4.38 4.80 -0.24 -2.05 5.03 -1.26 -4.71 115.26 112.44 1th4 n ASN 368 Ca 0.17 -3.14 0.32 0.00 0.87 0.00 0.00 54.58 52.79 1th4 n ASN 368 Cb 0.77 -0.69 0.72 0.00 -1.02 0.00 0.00 39.78 39.56 1th4 n ASN 368 CO 0.00 0.00 0.00 0.10 -1.83 0.00 0.00 177.26 175.53 1th4 h TYR 369 N 2.79 0.00 0.00 3.10 -0.00 -1.57 0.26 116.97 121.56 1th4 h TYR 369 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.87 1th4 h TYR 369 Cb 2.05 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.78 1th4 h TYR 369 CO 1.09 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 180.53 1th4 n LEU 370 N -3.99 0.00 0.01 0.10 4.77 -1.26 -0.99 117.00 115.64 1th4 n LEU 370 Ca 0.22 0.13 0.11 0.00 -0.03 0.00 0.00 56.01 56.45 1th4 n LEU 370 Cb 1.17 -0.13 0.06 0.00 -2.33 0.00 0.00 43.42 42.18 1th4 n LEU 370 CO 0.36 -0.09 0.15 0.00 -1.33 0.00 0.00 177.39 176.49 1th4 n GLN 371 N -1.13 0.06 -1.83 3.23 10.64 0.93 -3.29 117.38 125.98 1th4 n GLN 371 Ca 0.07 -0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.81 1th4 n GLN 371 Cb 0.06 -1.52 -0.03 0.00 -0.86 0.00 0.00 30.24 27.89 1th4 n GLN 371 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1th4 s ILE 372 N -3.04 2.34 0.27 -0.39 1.01 -0.16 -4.72 121.20 116.51 1th4 s ILE 372 Ca 0.08 0.24 -0.06 0.00 0.00 0.00 0.00 60.65 60.90 1th4 s ILE 372 Cb 0.16 -3.15 0.44 0.00 0.01 0.00 0.00 42.46 39.92 1th4 s ILE 372 CO 0.79 0.02 1.49 -2.65 0.00 0.00 0.00 174.94 174.59 1th4 n PRO 373 N 4.03 -0.08 -0.32 2.79 -0.02 -1.26 -0.50 135.00 139.63 1th4 n PRO 373 Ca 0.15 1.49 -0.04 0.00 -2.02 0.00 0.00 63.50 63.07 1th4 n PRO 373 Cb 0.37 -2.24 0.08 0.00 -0.02 0.00 0.00 33.50 31.69 1th4 n PRO 373 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1th4 h VAL 374 N 0.00 1.25 0.00 -1.45 3.04 -1.89 -3.07 116.25 114.12 1th4 h VAL 374 Ca 0.47 -0.58 -0.20 0.00 -1.01 0.00 0.00 66.70 65.39 1th4 h VAL 374 Cb 0.76 0.06 -0.03 0.00 -2.01 0.00 0.00 31.29 30.07 1th4 h VAL 374 CO -0.98 0.27 -0.97 0.78 -1.01 0.00 0.00 177.57 175.66 1th4 h ASN 375 N 1.20 0.00 -2.47 3.17 2.35 -1.08 -3.47 115.58 115.28 1th4 h ASN 375 Ca 0.31 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 55.45 1th4 h ASN 375 Cb -0.01 0.00 0.09 0.00 0.05 0.00 0.00 38.32 38.46 1th4 h ASN 375 CO -0.05 0.92 0.35 0.00 -1.65 0.00 0.00 177.43 177.00 1th4 n PRO 377 N 1.39 3.26 0.00 0.00 -0.04 -1.26 -4.79 135.00 133.55 1th4 n PRO 377 Ca 0.11 -3.32 0.00 0.00 -0.04 0.00 0.00 63.50 60.25 1th4 n PRO 377 Cb 0.30 -3.20 0.00 0.00 -0.04 0.00 0.00 33.50 30.56 1th4 n PRO 377 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1th4 n TYR 378 N 6.12 0.00 -0.96 0.54 -0.00 -1.26 -2.27 117.16 119.33 1th4 n TYR 378 Ca 0.45 0.00 0.06 0.00 -0.00 0.00 0.00 57.90 58.41 1th4 n TYR 378 Cb 0.41 -0.01 0.08 0.00 -0.00 0.00 0.00 39.34 39.83 1th4 n TYR 378 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1th4 n ARG 379 N -0.05 1.42 -3.94 -3.48 5.12 -1.26 -5.04 116.66 109.42 1th4 n ARG 379 Ca 0.00 -2.04 -0.10 0.00 -1.93 0.00 0.00 57.85 53.79 1th4 n ARG 379 Cb 0.03 -1.21 -0.06 0.00 -1.16 0.00 0.00 32.46 30.05 1th4 n ARG 379 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1th4 s ALA 380 N -1.95 -0.11 -0.45 7.54 0.00 -0.96 -3.70 121.76 122.13 1th4 s ALA 380 Ca 0.19 -0.82 -0.12 0.00 0.00 0.00 0.00 51.96 51.20 1th4 s ALA 380 Cb 0.17 0.89 0.08 0.00 0.00 0.00 0.00 23.12 24.26 1th4 s ALA 380 CO 0.02 -0.68 0.34 0.50 0.00 0.00 0.00 175.76 175.93 1th4 s ARG 381 N -3.97 2.79 -0.51 0.00 6.06 -1.26 -4.94 118.95 117.12 1th4 s ARG 381 Ca 0.17 -1.45 -0.29 0.00 -2.50 0.00 0.00 55.73 51.67 1th4 s ARG 381 Cb 0.02 -3.98 0.03 0.00 0.06 0.00 0.00 34.95 31.08 1th4 s ARG 381 CO 0.01 -1.03 1.22 0.08 -2.50 0.00 0.00 175.30 173.08 1th4 s VAL 382 N 1.53 4.06 -0.08 7.11 1.01 -1.26 -4.97 120.40 127.80 1th4 s VAL 382 Ca 0.04 1.03 -0.02 0.00 0.00 0.00 0.00 61.98 63.03 1th4 s VAL 382 Cb -0.24 -4.57 0.03 0.00 0.00 0.00 0.00 36.38 31.60 1th4 s VAL 382 CO 0.04 -1.09 0.01 0.00 0.00 0.00 0.00 175.10 174.06 1th4 s ALA 383 N 4.90 0.66 0.10 5.51 0.00 -1.26 -5.04 121.76 126.64 1th4 s ALA 383 Ca 0.49 -0.13 -0.04 0.00 0.00 0.00 0.00 51.96 52.28 1th4 s ALA 383 Cb -0.08 -0.76 0.01 0.00 0.00 0.00 0.00 23.12 22.29 1th4 s ALA 383 CO 0.30 -0.52 0.20 0.27 0.00 0.00 0.00 175.76 176.01 1th4 n ASN 384 N 5.16 -0.59 -2.29 0.00 0.23 -1.26 -4.89 115.26 111.62 1th4 n ASN 384 Ca -0.07 -1.42 -0.33 0.00 -0.53 0.00 0.00 54.58 52.23 1th4 n ASN 384 Cb 0.50 0.98 0.06 0.00 -2.08 0.00 0.00 39.78 39.24 1th4 n ASN 384 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1th4 n TYR 385 N -0.14 3.13 -4.96 -2.53 4.02 -1.26 -4.94 117.16 110.48 1th4 n TYR 385 Ca -0.02 -2.84 -0.32 0.00 -0.01 0.00 0.00 57.90 54.71 1th4 n TYR 385 Cb 0.16 -1.19 -0.15 0.00 -0.02 0.00 0.00 39.34 38.13 1th4 n TYR 385 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 1th4 s GLN 386 N -3.79 3.16 0.32 -0.72 -0.21 -1.26 -4.91 119.66 112.25 1th4 s GLN 386 Ca 0.61 -0.76 0.04 0.00 0.02 0.00 0.00 55.36 55.27 1th4 s GLN 386 Cb 0.48 -2.48 -0.01 0.00 1.00 0.00 0.00 33.01 32.00 1th4 s GLN 386 CO -0.02 0.25 0.14 0.54 -2.12 0.00 0.00 175.29 174.08 1th4 n ARG 387 N 3.39 0.59 0.00 2.91 5.12 -1.26 -4.98 116.66 122.43 1th4 n ARG 387 Ca -0.18 -2.75 0.00 0.00 -1.93 0.00 0.00 57.85 52.99 1th4 n ARG 387 Cb 0.53 1.63 0.00 0.00 -1.16 0.00 0.00 32.46 33.46 1th4 n ARG 387 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 1th4 n ASP 388 N -1.69 0.00 0.00 0.55 9.92 -1.26 -5.04 116.55 119.04 1th4 n ASP 388 Ca -0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.23 1th4 n ASP 388 Cb 0.49 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.97 1th4 n ASP 388 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1th4 n GLY 389 N 0.00 -0.84 3.67 0.44 0.00 -1.26 -4.75 105.19 102.45 1th4 n GLY 389 Ca 0.00 -1.33 -0.46 0.00 0.00 0.00 0.00 46.02 44.24 1th4 n GLY 389 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1th4 n PRO 390 N 0.32 2.11 -2.35 1.61 -0.04 -1.26 -3.55 135.00 131.84 1th4 n PRO 390 Ca 0.00 0.76 -0.06 0.00 -0.04 0.00 0.00 63.50 64.16 1th4 n PRO 390 Cb 0.00 -2.50 0.03 0.00 -0.04 0.00 0.00 33.50 30.99 1th4 n PRO 390 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1th4 n MET 391 N 3.01 -1.58 -2.60 0.54 2.81 -1.26 -4.27 117.12 113.78 1th4 n MET 391 Ca 0.15 0.35 -0.42 0.00 -1.81 0.00 0.00 57.70 55.97 1th4 n MET 391 Cb 0.29 -3.49 -0.02 0.00 -0.71 0.00 0.00 33.22 29.29 1th4 n MET 391 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1th4 s MET 393 N 4.86 1.66 2.16 0.00 -1.94 -1.26 -4.91 119.30 119.86 1th4 s MET 393 Ca 0.43 -0.30 0.00 0.00 -1.71 0.00 0.00 55.69 54.11 1th4 s MET 393 Cb -0.08 -2.04 0.00 0.00 2.01 0.00 0.00 34.83 34.72 1th4 s MET 393 CO 0.26 -1.67 0.00 -1.33 -0.01 0.00 0.00 175.02 172.27 1th4 n MET 394 N -3.24 0.00 0.17 2.03 2.81 -1.26 -3.95 117.12 113.68 1th4 n MET 394 Ca 0.11 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.12 1th4 n MET 394 Cb 0.60 0.00 0.25 0.00 -0.71 0.00 0.00 33.22 33.36 1th4 n MET 394 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 1th4 h ASP 395 N 0.00 0.00 -3.35 7.83 3.04 -2.01 -3.48 116.42 118.46 1th4 h ASP 395 Ca 0.00 -0.01 -0.16 0.00 -3.24 0.00 0.00 57.03 53.62 1th4 h ASP 395 Cb 0.00 0.00 0.07 0.00 -1.04 0.00 0.00 39.33 38.36 1th4 h ASP 395 CO 0.00 0.00 -0.32 -3.20 -2.04 0.00 0.00 179.24 173.69 1th4 n ASN 396 N -2.74 -3.08 -3.89 4.15 5.15 -1.25 -2.95 115.26 110.65 1th4 n ASN 396 Ca 0.04 -0.25 -0.30 0.00 -0.60 0.00 0.00 54.58 53.47 1th4 n ASN 396 Cb 0.49 -2.52 0.03 0.00 -0.53 0.00 0.00 39.78 37.26 1th4 n ASN 396 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1th4 n GLN 397 N -2.44 -5.79 0.00 1.20 3.00 -1.26 -4.80 117.38 107.30 1th4 n GLN 397 Ca -0.06 0.62 0.00 0.00 -0.01 0.00 0.00 57.00 57.55 1th4 n GLN 397 Cb 0.55 -5.53 0.00 0.00 0.00 0.00 0.00 30.24 25.26 1th4 n GLN 397 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1th4 n GLY 398 N -1.73 0.00 0.09 1.08 0.00 -1.15 -0.78 105.19 102.70 1th4 n GLY 398 Ca 0.04 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.21 1th4 n GLY 398 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1th4 n GLY 399 N 0.00 -0.90 3.55 -0.02 0.00 -1.26 -4.91 105.19 101.64 1th4 n GLY 399 Ca 0.00 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 1th4 n GLY 399 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1th4 n ALA 400 N -0.88 -0.49 -0.86 4.61 0.00 0.04 -4.93 120.51 117.99 1th4 n ALA 400 Ca 0.19 0.20 -0.02 0.00 0.00 0.00 0.00 53.44 53.80 1th4 n ALA 400 Cb 0.21 -1.96 0.04 0.00 0.00 0.00 0.00 19.45 17.74 1th4 n ALA 400 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1th4 n PRO 401 N 0.25 -0.48 0.00 0.00 -0.02 -1.26 -5.01 135.00 128.48 1th4 n PRO 401 Ca 0.11 -0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1th4 n PRO 401 Cb 0.39 -0.39 0.00 0.00 -0.02 0.00 0.00 33.50 33.49 1th4 n PRO 401 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1th4 n ASN 402 N -1.58 0.00 -4.37 2.55 0.23 -1.26 -4.94 115.26 105.89 1th4 n ASN 402 Ca 0.02 -1.00 -0.31 0.00 -0.53 0.00 0.00 54.58 52.76 1th4 n ASN 402 Cb 0.08 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 37.64 1th4 n ASN 402 CO 0.00 0.00 0.00 -0.72 -0.93 0.00 0.00 177.26 175.61 1th4 s TYR 403 N 0.00 2.41 -0.05 -2.53 1.13 -1.26 -4.83 117.35 112.22 1th4 s TYR 403 Ca 0.00 -0.36 0.01 0.00 -1.41 0.00 0.00 57.07 55.31 1th4 s TYR 403 Cb 0.00 -1.46 0.02 0.00 -1.10 0.00 0.00 41.96 39.42 1th4 s TYR 403 CO 0.00 0.11 -0.07 -0.47 -2.51 0.00 0.00 175.55 172.61 1th4 s TYR 404 N -0.77 0.99 1.00 -3.49 5.04 -1.26 -3.81 117.35 115.05 1th4 s TYR 404 Ca 0.12 -0.32 -0.15 0.00 -2.44 0.00 0.00 57.07 54.28 1th4 s TYR 404 Cb -0.10 -0.80 0.19 0.00 0.35 0.00 0.00 41.96 41.60 1th4 s TYR 404 CO 0.02 -0.22 1.18 -1.25 -1.34 0.00 0.00 175.55 173.93 1th4 s PRO 405 N 0.82 0.41 0.13 4.97 0.04 -1.26 -5.21 135.00 134.89 1th4 s PRO 405 Ca -0.12 0.03 -0.17 0.00 0.04 0.00 0.00 61.00 60.77 1th4 s PRO 405 Cb -0.15 -1.78 0.04 0.00 0.04 0.00 0.00 34.50 32.65 1th4 s PRO 405 CO 0.01 -2.64 0.43 0.54 0.04 0.00 0.00 177.00 175.38 1th4 s ASN 406 N -4.20 -0.28 -0.47 6.66 2.20 -1.25 -5.06 114.94 112.54 1th4 s ASN 406 Ca 0.68 -0.27 0.03 0.00 -0.94 0.00 0.00 52.86 52.36 1th4 s ASN 406 Cb -0.11 0.49 0.46 0.00 -2.00 0.00 0.00 41.25 40.09 1th4 s ASN 406 CO 0.54 -0.86 1.61 -1.54 -2.94 0.00 0.00 177.10 173.91 1th4 n SER 407 N -0.23 6.07 -1.70 3.54 3.41 -1.26 -4.64 113.62 118.80 1th4 n SER 407 Ca -0.16 -3.77 -0.08 0.00 -0.26 0.00 0.00 58.87 54.60 1th4 n SER 407 Cb 0.64 -0.66 0.08 0.00 -0.26 0.00 0.00 64.21 64.00 1th4 n SER 407 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1th4 n PHE 408 N -0.84 1.36 -3.84 7.33 3.01 -1.26 -5.00 117.46 118.22 1th4 n PHE 408 Ca 0.53 -1.79 -0.27 0.00 1.01 0.00 0.00 57.45 56.93 1th4 n PHE 408 Cb 0.84 -0.27 0.03 0.00 -0.01 0.00 0.00 39.48 40.07 1th4 n PHE 408 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1th4 n SER 409 N -0.65 -3.53 -4.97 4.37 7.64 -1.26 -4.97 113.62 110.24 1th4 n SER 409 Ca 0.25 -0.79 -0.21 0.00 1.01 0.00 0.00 58.87 59.13 1th4 n SER 409 Cb 0.88 -3.95 -0.02 0.00 -1.01 0.00 0.00 64.21 60.12 1th4 n SER 409 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1th4 s ALA 410 N -3.44 3.98 0.02 -0.43 0.00 -1.26 -5.02 121.76 115.60 1th4 s ALA 410 Ca 0.43 -1.26 -0.04 0.00 0.00 0.00 0.00 51.96 51.09 1th4 s ALA 410 Cb -0.21 -1.75 -0.02 0.00 0.00 0.00 0.00 23.12 21.14 1th4 s ALA 410 CO 0.82 0.16 0.10 -2.30 0.00 0.00 0.00 175.76 174.54 1th4 n PRO 411 N -1.49 0.00 -4.25 0.00 -0.02 -1.26 -4.98 135.00 123.00 1th4 n PRO 411 Ca -0.07 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.13 1th4 n PRO 411 Cb 0.57 -0.16 -0.04 0.00 -0.02 0.00 0.00 33.50 33.85 1th4 n PRO 411 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1th4 s GLU 412 N -0.09 2.23 0.77 -0.52 2.56 -1.26 -5.03 118.70 117.35 1th4 s GLU 412 Ca 0.10 -2.13 -0.13 0.00 0.00 0.00 0.00 54.97 52.81 1th4 s GLU 412 Cb -0.14 -1.87 0.18 0.00 2.00 0.00 0.00 34.13 34.29 1th4 s GLU 412 CO 0.08 -0.44 1.00 -2.39 -0.56 0.00 0.00 175.26 172.94 1th4 n HIS 413 N -1.49 -3.97 -3.01 5.30 1.44 -1.26 -5.08 115.22 107.15 1th4 n HIS 413 Ca -0.08 -0.88 -0.16 0.00 -2.01 0.00 0.00 57.72 54.59 1th4 n HIS 413 Cb 0.65 -0.79 -0.02 0.00 0.12 0.00 0.00 29.99 29.95 1th4 n HIS 413 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1th4 n GLN 414 N -3.24 0.64 0.00 -1.40 1.13 -1.26 -4.99 117.38 108.26 1th4 n GLN 414 Ca 0.13 -2.54 0.17 0.00 -1.94 0.00 0.00 57.00 52.82 1th4 n GLN 414 Cb 0.44 -1.40 0.28 0.00 0.11 0.00 0.00 30.24 29.67 1th4 n GLN 414 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1th4 h PRO 415 N 4.36 0.00 -0.01 -1.09 0.11 -2.01 2.26 132.00 135.62 1th4 h PRO 415 Ca 0.02 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.96 1th4 h PRO 415 Cb 0.97 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 1th4 h PRO 415 CO 0.34 0.00 -0.78 0.77 -0.21 0.00 0.00 178.00 178.12 1th4 h SER 416 N 0.00 0.17 -0.66 -2.05 0.02 -2.04 -3.26 113.55 105.73 1th4 h SER 416 Ca 0.30 -0.13 -0.44 0.00 -0.84 0.00 0.00 61.79 60.68 1th4 h SER 416 Cb 2.52 -0.05 -0.19 0.00 0.14 0.00 0.00 62.40 64.82 1th4 h SER 416 CO -0.00 0.88 0.57 0.00 -1.14 0.00 0.00 176.83 177.14 1th4 n ALA 417 N -2.44 5.54 -2.65 3.77 0.00 0.76 -4.93 120.51 120.57 1th4 n ALA 417 Ca -0.02 -2.28 -0.38 0.00 0.00 0.00 0.00 53.44 50.76 1th4 n ALA 417 Cb 0.74 -1.52 -0.06 0.00 0.00 0.00 0.00 19.45 18.61 1th4 n ALA 417 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1th4 s LEU 418 N -2.49 4.43 0.79 0.00 1.43 -1.23 -4.98 118.68 116.63 1th4 s LEU 418 Ca 0.42 0.77 -0.15 0.00 -1.03 0.00 0.00 54.13 54.14 1th4 s LEU 418 Cb 0.33 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 44.16 1th4 s LEU 418 CO -0.01 0.34 0.67 -0.62 0.23 0.00 0.00 176.35 176.96 1th4 n GLU 419 N 2.00 0.17 -2.26 1.70 4.71 -1.26 -4.96 120.64 120.74 1th4 n GLU 419 Ca -0.16 0.11 -0.32 0.00 -0.01 0.00 0.00 57.16 56.78 1th4 n GLU 419 Cb 0.53 -1.99 -0.02 0.00 -1.01 0.00 0.00 31.44 28.96 1th4 n GLU 419 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 1th4 s HIS 420 N -2.04 3.30 -0.44 -0.32 5.65 -1.26 -5.01 115.29 115.16 1th4 s HIS 420 Ca 0.66 1.48 -0.08 0.00 0.25 0.00 0.00 55.06 57.36 1th4 s HIS 420 Cb -0.31 -2.87 0.10 0.00 -1.18 0.00 0.00 32.58 28.33 1th4 s HIS 420 CO 0.58 -0.64 0.29 1.03 -0.65 0.00 0.00 174.74 175.35 1th4 s ARG 421 N -4.11 2.47 0.12 2.88 0.52 -1.26 -5.07 118.95 114.51 1th4 s ARG 421 Ca 0.60 -1.65 -0.01 0.00 -0.52 0.00 0.00 55.73 54.15 1th4 s ARG 421 Cb -0.12 -3.82 -0.04 0.00 0.52 0.00 0.00 34.95 31.48 1th4 s ARG 421 CO 0.34 -1.09 0.30 0.99 0.02 0.00 0.00 175.30 175.87 1th4 s THR 422 N 1.36 5.28 -0.20 0.02 2.01 -1.26 -5.10 115.64 117.76 1th4 s THR 422 Ca 0.05 -0.29 0.01 0.00 0.31 0.00 0.00 61.69 61.78 1th4 s THR 422 Cb -0.25 -3.66 0.03 0.00 0.01 0.00 0.00 72.50 68.64 1th4 s THR 422 CO -0.00 0.03 -0.16 -2.28 -0.69 0.00 0.00 174.62 171.52 1th4 s HIS 423 N -1.65 2.74 0.57 4.92 2.46 -1.26 -5.11 115.29 117.96 1th4 s HIS 423 Ca 0.37 -1.73 0.08 0.00 0.47 0.00 0.00 55.06 54.25 1th4 s HIS 423 Cb -0.12 -1.83 0.07 0.00 -0.13 0.00 0.00 32.58 30.57 1th4 s HIS 423 CO 0.27 -0.80 0.66 -0.06 -2.47 0.00 0.00 174.74 172.35 1th4 s PHE 424 N 1.29 1.42 0.16 3.88 0.08 -1.26 -5.15 117.98 118.40 1th4 s PHE 424 Ca 0.01 -0.79 -0.24 0.00 0.12 0.00 0.00 56.93 56.03 1th4 s PHE 424 Cb -0.15 -2.09 0.06 0.00 -0.57 0.00 0.00 43.02 40.27 1th4 s PHE 424 CO -0.10 -0.94 0.74 0.45 -0.10 0.00 0.00 175.22 175.27 1th4 s SER 425 N -4.54 -0.39 0.00 1.36 0.15 -1.26 -5.17 113.70 103.86 1th4 s SER 425 Ca 0.52 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.94 1th4 s SER 425 Cb -0.04 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1th4 s SER 425 CO 0.33 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 174.39 1th4 n GLY 426 N -0.39 3.00 3.67 9.45 0.00 -1.26 -5.03 105.19 114.64 1th4 n GLY 426 Ca -0.10 -1.81 -0.44 0.00 0.00 0.00 0.00 46.02 43.67 1th4 n GLY 426 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1th4 n ASP 427 N 0.00 2.52 -4.62 1.61 8.00 -1.26 -4.91 116.55 117.90 1th4 n ASP 427 Ca 0.00 1.18 -0.42 0.00 0.71 0.00 0.00 54.79 56.25 1th4 n ASP 427 Cb 0.00 -1.43 -0.03 0.00 -0.02 0.00 0.00 41.12 39.64 1th4 n ASP 427 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1th4 s VAL 428 N -0.68 4.64 0.00 2.53 1.01 -1.26 -4.93 120.40 121.71 1th4 s VAL 428 Ca 0.61 1.41 0.00 0.00 0.00 0.00 0.00 61.98 64.00 1th4 s VAL 428 Cb -0.62 -4.29 0.00 0.00 0.00 0.00 0.00 36.38 31.46 1th4 s VAL 428 CO 0.57 -0.39 0.00 0.00 0.00 0.00 0.00 175.10 175.28 1th4 n GLN 429 N 6.57 0.00 -3.94 2.72 10.64 -1.26 -5.11 117.38 127.01 1th4 n GLN 429 Ca 0.08 0.00 -0.32 0.00 -1.83 0.00 0.00 57.00 54.93 1th4 n GLN 429 Cb 0.48 0.00 -0.14 0.00 -0.86 0.00 0.00 30.24 29.72 1th4 n GLN 429 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 1th4 s ARG 430 N 1.65 1.76 -0.35 2.61 0.52 -1.26 -5.08 118.95 118.80 1th4 s ARG 430 Ca 0.00 -2.08 -0.25 0.00 -0.52 0.00 0.00 55.73 52.89 1th4 s ARG 430 Cb 0.00 -3.34 0.01 0.00 0.52 0.00 0.00 34.95 32.14 1th4 s ARG 430 CO 0.00 -1.02 0.86 -0.06 0.02 0.00 0.00 175.30 175.10 1th4 s PHE 431 N 0.62 3.13 -0.10 -0.53 0.40 -1.26 -5.00 117.98 115.24 1th4 s PHE 431 Ca 0.12 0.74 -0.29 0.00 -0.60 0.00 0.00 56.93 56.90 1th4 s PHE 431 Cb -0.21 -3.46 -0.07 0.00 0.51 0.00 0.00 43.02 39.78 1th4 s PHE 431 CO -0.05 -0.73 2.11 -1.71 0.70 0.00 0.00 175.22 175.54 1th4 n ASN 432 N 6.52 3.70 -1.04 1.36 5.15 -1.26 -4.85 115.26 124.85 1th4 n ASN 432 Ca 0.05 0.54 0.12 0.00 -0.60 0.00 0.00 54.58 54.68 1th4 n ASN 432 Cb 0.48 -1.54 0.16 0.00 -0.53 0.00 0.00 39.78 38.35 1th4 n ASN 432 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1th4 n SER 433 N 9.72 3.21 -0.34 1.20 3.41 -1.26 -4.62 113.62 124.94 1th4 n SER 433 Ca 0.25 -1.98 0.21 0.00 -0.26 0.00 0.00 58.87 57.10 1th4 n SER 433 Cb 0.43 -0.13 0.47 0.00 -0.26 0.00 0.00 64.21 64.71 1th4 n SER 433 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1th4 h ALA 434 N 4.47 2.08 -1.90 7.33 0.00 -2.02 -3.19 119.26 126.03 1th4 h ALA 434 Ca 0.00 0.09 -0.64 0.00 0.00 0.00 0.00 54.91 54.36 1th4 h ALA 434 Cb 0.97 0.03 -0.39 0.00 0.00 0.00 0.00 17.79 18.40 1th4 h ALA 434 CO 0.00 -0.53 -0.29 0.09 0.00 0.00 0.00 179.25 178.52 1th4 n ASN 435 N -4.73 5.17 -3.32 0.00 4.13 -1.26 -4.75 115.26 110.51 1th4 n ASN 435 Ca 0.26 -3.70 -0.38 0.00 1.68 0.00 0.00 54.58 52.44 1th4 n ASN 435 Cb 0.85 -0.67 0.02 0.00 -1.54 0.00 0.00 39.78 38.44 1th4 n ASN 435 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1th4 n ASP 436 N -0.28 6.93 -2.59 6.41 9.92 -1.21 -4.90 116.55 130.83 1th4 n ASP 436 Ca 0.36 -3.73 -0.03 0.00 -0.53 0.00 0.00 54.79 50.87 1th4 n ASP 436 Cb 0.41 -1.03 -0.02 0.00 -0.64 0.00 0.00 41.12 39.84 1th4 n ASP 436 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1th4 n ASP 437 N -0.22 -3.97 -1.49 -2.24 2.03 -1.26 -4.94 116.55 104.45 1th4 n ASP 437 Ca 0.46 1.32 -0.11 0.00 0.52 0.00 0.00 54.79 56.98 1th4 n ASP 437 Cb 0.29 -5.08 0.19 0.00 -0.72 0.00 0.00 41.12 35.80 1th4 n ASP 437 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1th4 n ASN 438 N 1.15 2.98 0.12 1.67 3.02 -1.26 -4.70 115.26 118.24 1th4 n ASN 438 Ca -0.21 -3.75 0.00 0.00 -0.03 0.00 0.00 54.58 50.59 1th4 n ASN 438 Cb 0.32 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 1th4 n ASN 438 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1th4 n VAL 439 N -1.12 0.29 0.00 2.41 0.24 -1.26 -4.74 118.33 114.16 1th4 n VAL 439 Ca 0.41 0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.81 1th4 n VAL 439 Cb 1.18 -0.76 0.00 0.00 -1.47 0.00 0.00 33.84 32.79 1th4 n VAL 439 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1th4 n THR 440 N -3.48 0.00 -0.01 3.34 -1.04 -1.26 0.18 114.28 112.02 1th4 n THR 440 Ca 0.00 0.03 0.22 0.00 -2.04 0.00 0.00 64.05 62.26 1th4 n THR 440 Cb 0.00 -0.05 0.72 0.00 -1.82 0.00 0.00 70.33 69.18 1th4 n THR 440 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1th4 h GLN 441 N 0.00 0.00 -0.33 -2.82 4.20 -1.94 0.21 115.11 114.43 1th4 h GLN 441 Ca 0.00 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 1th4 h GLN 441 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1th4 h GLN 441 CO 0.00 0.00 -0.39 0.28 -0.67 0.00 0.00 178.83 178.05 1th4 h VAL 442 N 0.00 1.28 0.00 -0.54 2.07 0.16 -0.68 116.25 118.54 1th4 h VAL 442 Ca 0.27 -1.57 -0.08 0.00 0.82 0.00 0.00 66.70 66.13 1th4 h VAL 442 Cb 1.13 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 1th4 h VAL 442 CO -0.00 0.51 -0.39 -0.09 0.02 0.00 0.00 177.57 177.62 1th4 h ARG 443 N 0.66 0.00 0.00 1.57 2.43 0.25 -0.90 114.38 118.40 1th4 h ARG 443 Ca 0.05 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 1th4 h ARG 443 Cb 0.96 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 1th4 h ARG 443 CO 0.09 0.39 -0.33 1.15 -1.51 0.00 0.00 179.97 179.76 1th4 h THR 444 N 0.00 0.33 0.01 0.20 2.02 -0.91 -3.17 112.91 111.39 1th4 h THR 444 Ca -0.00 -1.48 -0.00 0.00 0.77 0.00 0.00 66.41 65.69 1th4 h THR 444 Cb 0.71 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 1th4 h THR 444 CO 0.05 0.19 -0.01 0.15 0.37 0.00 0.00 175.52 176.27 1th4 h PHE 445 N 0.00 -0.02 0.00 3.16 3.57 -0.60 -2.66 116.94 120.40 1th4 h PHE 445 Ca -0.01 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1th4 h PHE 445 Cb 1.17 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.91 1th4 h PHE 445 CO 0.00 0.50 0.00 0.98 -2.23 0.00 0.00 178.31 177.56 1th4 n TYR 446 N -4.71 0.00 0.00 0.41 9.36 -0.39 -2.52 117.16 119.31 1th4 n TYR 446 Ca -0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.17 1th4 n TYR 446 Cb 0.25 -0.45 0.00 0.00 -0.63 0.00 0.00 39.34 38.51 1th4 n TYR 446 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1th4 n LEU 447 N -1.45 0.46 0.04 2.98 4.77 -1.20 -4.68 117.00 117.93 1th4 n LEU 447 Ca 0.00 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.97 1th4 n LEU 447 Cb 0.00 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 1th4 n LEU 447 CO 0.00 -0.05 -0.19 0.11 -1.33 0.00 0.00 177.39 175.93 1th4 h LYS 448 N 0.00 0.00 0.13 3.23 1.79 -1.59 -3.39 116.57 116.75 1th4 h LYS 448 Ca 0.00 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 58.11 1th4 h LYS 448 Cb 0.68 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.32 1th4 h LYS 448 CO 0.00 0.36 -1.94 0.28 -1.08 0.00 0.00 179.45 177.07 1th4 h VAL 449 N 0.00 0.68 -2.75 0.50 2.07 -1.43 -3.47 116.25 111.84 1th4 h VAL 449 Ca -0.15 -2.36 -0.56 0.00 0.82 0.00 0.00 66.70 64.45 1th4 h VAL 449 Cb 1.60 2.54 -0.03 0.00 -1.52 0.00 0.00 31.29 33.88 1th4 h VAL 449 CO 0.05 0.88 -0.43 -0.76 0.02 0.00 0.00 177.57 177.34 1th4 s LEU 450 N -7.11 4.31 0.37 2.57 1.43 -1.05 -5.07 118.68 114.13 1th4 s LEU 450 Ca -0.22 0.28 0.08 0.00 -1.03 0.00 0.00 54.13 53.25 1th4 s LEU 450 Cb 0.06 -3.02 -0.05 0.00 0.03 0.00 0.00 46.19 43.22 1th4 s LEU 450 CO 0.78 0.06 0.15 0.54 0.23 0.00 0.00 176.35 178.11 1th4 s ASN 451 N -2.99 4.57 0.31 2.29 2.20 -1.26 -4.54 114.94 115.53 1th4 s ASN 451 Ca 0.36 -0.89 0.04 0.00 -0.94 0.00 0.00 52.86 51.43 1th4 s ASN 451 Cb -0.12 -0.62 0.82 0.00 -2.00 0.00 0.00 41.25 39.33 1th4 s ASN 451 CO 0.28 -0.39 1.57 -0.08 -2.94 0.00 0.00 177.10 175.55 1th4 h GLU 452 N 1.51 0.01 -0.01 3.55 4.57 -1.96 0.33 114.58 122.58 1th4 h GLU 452 Ca -0.43 -0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 57.63 1th4 h GLU 452 Cb 1.25 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.82 1th4 h GLU 452 CO 0.65 0.01 -0.54 1.05 -1.18 0.00 0.00 179.01 179.00 1th4 h GLU 453 N 0.01 0.04 -0.04 1.92 -0.00 -1.99 -0.31 114.58 114.21 1th4 h GLU 453 Ca 0.63 -0.03 -0.15 0.00 -0.00 0.00 0.00 59.36 59.81 1th4 h GLU 453 Cb 1.34 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.08 1th4 h GLU 453 CO -0.90 0.57 -0.64 1.96 -0.00 0.00 0.00 179.01 180.00 1th4 h GLN 454 N 0.03 0.15 -0.00 1.06 4.20 -0.79 -2.85 115.11 116.91 1th4 h GLN 454 Ca -0.00 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 1th4 h GLN 454 Cb 0.97 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.77 1th4 h GLN 454 CO 0.07 0.74 -0.00 0.00 -0.67 0.00 0.00 178.83 178.96 1th4 h ARG 455 N 0.10 0.00 -0.74 1.46 3.08 -0.88 -2.77 114.38 114.64 1th4 h ARG 455 Ca -0.01 -0.00 0.12 0.00 0.07 0.00 0.00 59.98 60.16 1th4 h ARG 455 Cb 1.15 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.07 1th4 h ARG 455 CO 0.09 0.58 -0.38 -0.22 -1.07 0.00 0.00 179.97 178.98 1th4 h LYS 456 N -0.57 -0.11 0.14 0.04 3.64 -1.03 -2.07 116.57 116.61 1th4 h LYS 456 Ca 0.00 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1th4 h LYS 456 Cb 0.58 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1th4 h LYS 456 CO 0.00 -0.07 -0.20 -0.09 -2.27 0.00 0.00 179.45 176.82 1th4 h ARG 457 N -0.11 -0.34 -0.11 1.90 9.65 -1.51 -2.63 114.38 121.23 1th4 h ARG 457 Ca 0.26 0.02 0.01 0.00 -1.10 0.00 0.00 59.98 59.18 1th4 h ARG 457 Cb 0.57 0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 29.21 1th4 h ARG 457 CO -0.80 -0.23 -0.06 -0.11 2.80 0.00 0.00 179.97 181.57 1th4 n LEU 458 N -3.57 -0.11 -0.08 3.80 7.94 -0.80 -0.10 117.00 124.07 1th4 n LEU 458 Ca -0.04 0.45 -0.07 0.00 -1.11 0.00 0.00 56.01 55.24 1th4 n LEU 458 Cb 0.17 -0.16 -0.01 0.00 0.53 0.00 0.00 43.42 43.96 1th4 n LEU 458 CO 0.09 -0.29 0.80 0.00 -1.11 0.00 0.00 177.39 176.88 1th4 h GLU 460 N -0.02 0.90 -0.35 0.00 5.08 -0.13 2.65 114.58 122.72 1th4 h GLU 460 Ca 0.15 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1th4 h GLU 460 Cb 0.24 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1th4 h GLU 460 CO -0.32 0.60 0.22 -0.91 -1.00 0.00 0.00 179.01 177.61 1th4 h ASN 461 N 0.93 0.41 0.26 1.42 2.35 0.47 -0.72 115.58 120.71 1th4 h ASN 461 Ca 0.38 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 56.09 1th4 h ASN 461 Cb 0.22 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1th4 h ASN 461 CO -0.19 0.32 -0.13 0.40 -1.65 0.00 0.00 177.43 176.18 1th4 h ILE 462 N 0.47 0.71 -0.99 2.81 2.04 0.91 -3.23 117.51 120.23 1th4 h ILE 462 Ca 0.13 -0.80 0.25 0.00 1.00 0.00 0.00 64.86 65.44 1th4 h ILE 462 Cb -0.03 1.09 -0.07 0.00 -0.74 0.00 0.00 36.82 37.07 1th4 h ILE 462 CO -0.03 0.15 0.66 0.00 0.00 0.00 0.00 178.15 178.93 1th4 h ALA 463 N -0.31 2.40 0.00 1.87 0.00 0.46 0.11 119.26 123.79 1th4 h ALA 463 Ca -0.04 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1th4 h ALA 463 Cb 0.51 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1th4 h ALA 463 CO 0.06 -0.74 0.00 0.78 0.00 0.00 0.00 179.25 179.35 1th4 h GLY 464 N 0.30 0.00 0.00 0.00 0.00 -1.15 -2.70 103.07 99.53 1th4 h GLY 464 Ca 0.52 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 47.46 1th4 h GLY 464 CO -0.18 0.00 -2.29 1.57 0.00 0.00 0.00 176.54 175.63 1th4 n HIS 465 N -2.73 0.00 0.01 5.60 -0.00 0.00 -4.46 115.22 113.64 1th4 n HIS 465 Ca 0.03 0.00 0.20 0.00 -0.00 0.00 0.00 57.72 57.95 1th4 n HIS 465 Cb 0.37 -0.85 0.70 0.00 -0.00 0.00 0.00 29.99 30.22 1th4 n HIS 465 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1th4 h LEU 466 N -0.86 0.00 -2.14 0.27 5.85 -0.99 -2.09 115.31 115.34 1th4 h LEU 466 Ca -0.59 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.21 1th4 h LEU 466 Cb 1.51 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.53 1th4 h LEU 466 CO -0.36 0.00 0.27 0.07 -0.34 0.00 0.00 178.44 178.08 1th4 h LYS 467 N 0.00 0.00 -0.04 1.25 5.09 -1.69 -1.38 116.57 119.80 1th4 h LYS 467 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.99 1th4 h LYS 467 Cb 1.01 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.34 1th4 h LYS 467 CO -0.00 0.00 0.00 -0.25 -2.09 0.00 0.00 179.45 177.11 1th4 n ASP 468 N -3.87 0.52 -4.96 7.07 8.00 -0.79 -4.83 116.55 117.70 1th4 n ASP 468 Ca 0.04 -1.38 -0.23 0.00 0.71 0.00 0.00 54.79 53.92 1th4 n ASP 468 Cb 0.41 -0.02 0.03 0.00 -0.02 0.00 0.00 41.12 41.53 1th4 n ASP 468 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1th4 s ALA 469 N -1.96 3.69 0.26 2.24 0.00 -0.52 -4.61 121.76 120.87 1th4 s ALA 469 Ca 0.35 -1.13 -0.29 0.00 0.00 0.00 0.00 51.96 50.88 1th4 s ALA 469 Cb 0.17 -2.22 -0.09 0.00 0.00 0.00 0.00 23.12 20.98 1th4 s ALA 469 CO 0.28 -0.73 1.16 -0.65 0.00 0.00 0.00 175.76 175.81 1th4 s GLN 470 N -4.80 4.56 0.21 0.00 -0.21 -1.26 -4.80 119.66 113.36 1th4 s GLN 470 Ca 0.55 1.88 0.10 0.00 0.02 0.00 0.00 55.36 57.92 1th4 s GLN 470 Cb -0.10 -3.19 0.74 0.00 1.00 0.00 0.00 33.01 31.46 1th4 s GLN 470 CO 0.40 0.07 0.94 1.28 -2.12 0.00 0.00 175.29 175.86 1th4 n LEU 471 N 1.49 0.16 -0.13 2.90 4.77 -1.26 0.86 117.00 125.78 1th4 n LEU 471 Ca 0.00 1.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.87 1th4 n LEU 471 Cb 0.44 -0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 1th4 n LEU 471 CO 0.55 -1.10 0.68 2.19 -1.33 0.00 0.00 177.39 178.38 1th4 h PHE 472 N 0.00 0.92 -0.64 -1.77 -5.15 -2.00 -2.04 116.94 106.27 1th4 h PHE 472 Ca 0.48 -0.22 -0.06 0.00 -0.20 0.00 0.00 57.97 57.97 1th4 h PHE 472 Cb 1.24 -0.22 -0.03 0.00 0.22 0.00 0.00 35.95 37.16 1th4 h PHE 472 CO -0.06 0.97 0.15 0.82 -2.00 0.00 0.00 178.31 178.19 1th4 h ILE 473 N 0.62 1.26 -0.99 0.88 2.04 0.11 -1.73 117.51 119.69 1th4 h ILE 473 Ca 0.09 -0.94 0.14 0.00 1.00 0.00 0.00 64.86 65.15 1th4 h ILE 473 Cb 0.71 0.64 -0.09 0.00 -0.74 0.00 0.00 36.82 37.33 1th4 h ILE 473 CO 0.05 0.35 0.62 1.56 0.00 0.00 0.00 178.15 180.74 1th4 h GLN 474 N 0.95 0.88 0.53 2.37 4.20 -1.16 0.71 115.11 123.59 1th4 h GLN 474 Ca 0.20 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 1th4 h GLN 474 Cb 0.36 -0.20 0.01 0.00 0.30 0.00 0.00 27.48 27.95 1th4 h GLN 474 CO 0.00 0.59 -0.25 0.87 -0.67 0.00 0.00 178.83 179.36 1th4 h LYS 475 N 0.91 -0.69 -0.85 1.46 1.57 -0.66 -0.29 116.57 118.03 1th4 h LYS 475 Ca 0.51 0.05 0.19 0.00 -1.87 0.00 0.00 60.65 59.52 1th4 h LYS 475 Cb 0.60 0.16 -0.12 0.00 0.08 0.00 0.00 32.23 32.95 1th4 h LYS 475 CO -0.28 -0.38 0.35 0.87 -0.57 0.00 0.00 179.45 179.43 1th4 h LYS 476 N -1.05 0.40 0.37 3.15 1.57 -0.60 0.20 116.57 120.61 1th4 h LYS 476 Ca -0.07 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1th4 h LYS 476 Cb 0.62 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1th4 h LYS 476 CO 0.12 0.26 -0.18 0.00 -0.57 0.00 0.00 179.45 179.08 1th4 h ALA 477 N 1.66 -0.49 -0.75 3.86 0.00 0.54 -2.71 119.26 121.36 1th4 h ALA 477 Ca 0.51 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.30 1th4 h ALA 477 Cb 0.90 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 1th4 h ALA 477 CO -0.49 -0.71 0.48 0.28 0.00 0.00 0.00 179.25 178.80 1th4 h VAL 478 N -0.63 1.12 -0.43 0.00 2.07 -0.32 -2.70 116.25 115.35 1th4 h VAL 478 Ca -0.05 -0.32 0.09 0.00 0.82 0.00 0.00 66.70 67.24 1th4 h VAL 478 Cb 0.46 0.10 -0.09 0.00 -1.52 0.00 0.00 31.29 30.24 1th4 h VAL 478 CO 0.08 0.17 -0.30 0.50 0.02 0.00 0.00 177.57 178.04 1th4 h LYS 479 N 0.93 -0.21 -0.43 1.57 3.64 -0.51 0.20 116.57 121.77 1th4 h LYS 479 Ca 0.30 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.71 1th4 h LYS 479 Cb 0.00 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1th4 h LYS 479 CO -0.11 -0.14 0.28 -0.91 -2.27 0.00 0.00 179.45 176.31 1th4 h ASN 480 N -0.21 0.46 -0.50 4.20 4.21 -1.17 -2.29 115.58 120.28 1th4 h ASN 480 Ca 0.19 -0.01 -0.11 0.00 1.21 0.00 0.00 56.30 57.58 1th4 h ASN 480 Cb 0.52 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 37.59 1th4 h ASN 480 CO -0.55 0.33 -0.10 -0.26 -1.29 0.00 0.00 177.43 175.55 1th4 h PHE 481 N 0.54 1.09 -0.70 1.19 0.04 -0.78 -2.92 116.94 115.40 1th4 h PHE 481 Ca 0.16 -0.22 -0.03 0.00 2.80 0.00 0.00 57.97 60.69 1th4 h PHE 481 Cb -0.00 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 37.84 1th4 h PHE 481 CO -0.00 1.02 0.32 0.77 -0.60 0.00 0.00 178.31 179.82 1th4 h SER 482 N 0.88 0.93 -0.90 2.17 0.02 -0.72 -0.42 113.55 115.51 1th4 h SER 482 Ca 0.14 -0.14 0.13 0.00 -0.84 0.00 0.00 61.79 61.08 1th4 h SER 482 Cb 0.65 -0.24 -0.07 0.00 0.14 0.00 0.00 62.40 62.88 1th4 h SER 482 CO 0.05 0.81 0.58 0.44 -1.14 0.00 0.00 176.83 177.57 1th4 h ASP 483 N 0.98 0.73 -0.29 3.07 3.32 -1.30 1.33 116.42 124.26 1th4 h ASP 483 Ca 0.24 0.04 -0.15 0.00 0.02 0.00 0.00 57.03 57.18 1th4 h ASP 483 Cb 0.14 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1th4 h ASP 483 CO -0.03 0.39 -0.37 0.58 -1.72 0.00 0.00 179.24 178.09 1th4 h VAL 484 N 0.78 1.28 -1.30 -1.35 2.07 -1.27 -3.46 116.25 113.00 1th4 h VAL 484 Ca 0.44 -1.54 0.15 0.00 0.82 0.00 0.00 66.70 66.57 1th4 h VAL 484 Cb 0.60 1.40 -0.30 0.00 -1.52 0.00 0.00 31.29 31.48 1th4 h VAL 484 CO -0.21 0.51 0.61 -2.28 0.02 0.00 0.00 177.57 176.22 1th4 s HIS 485 N -4.38 -0.30 0.18 1.57 2.46 0.45 -4.49 115.29 110.78 1th4 s HIS 485 Ca -0.10 0.63 -0.24 0.00 0.47 0.00 0.00 55.06 55.83 1th4 s HIS 485 Cb 0.12 0.27 0.08 0.00 -0.13 0.00 0.00 32.58 32.92 1th4 s HIS 485 CO 0.86 -0.15 1.57 -1.00 -2.47 0.00 0.00 174.74 173.55 1th4 h PRO 486 N 4.94 -0.16 0.31 2.88 0.13 -1.53 -2.18 132.00 136.38 1th4 h PRO 486 Ca -0.27 0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1th4 h PRO 486 Cb 1.18 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1th4 h PRO 486 CO 0.19 -0.11 -0.28 1.49 -0.23 0.00 0.00 178.00 179.06 1th4 h GLU 487 N -0.17 -0.59 -0.82 0.86 4.81 -1.92 -2.54 114.58 114.21 1th4 h GLU 487 Ca 0.21 0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.57 1th4 h GLU 487 Cb 0.56 0.13 -0.11 0.00 0.63 0.00 0.00 28.75 29.97 1th4 h GLU 487 CO -0.74 -0.39 -0.45 0.98 -0.73 0.00 0.00 179.01 177.68 1th4 n TYR 488 N -5.40 -0.27 0.00 0.92 4.19 -0.85 0.38 117.16 116.13 1th4 n TYR 488 Ca -0.09 1.02 0.00 0.00 3.31 0.00 0.00 57.90 62.14 1th4 n TYR 488 Cb 0.31 -0.62 0.00 0.00 0.49 0.00 0.00 39.34 39.52 1th4 n TYR 488 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1th4 n GLY 489 N -1.25 -3.18 0.35 2.98 0.00 -1.01 -2.24 105.19 100.84 1th4 n GLY 489 Ca 0.03 0.32 0.03 0.00 0.00 0.00 0.00 46.02 46.40 1th4 n GLY 489 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1th4 h SER 490 N 0.00 -0.99 -0.86 1.61 4.64 -0.99 0.32 113.55 117.27 1th4 h SER 490 Ca 0.00 0.28 0.20 0.00 -0.47 0.00 0.00 61.79 61.81 1th4 h SER 490 Cb 0.00 0.61 -0.12 0.00 -0.31 0.00 0.00 62.40 62.58 1th4 h SER 490 CO 0.00 -0.31 0.34 -0.09 -0.87 0.00 0.00 176.83 175.91 1th4 h ARG 491 N -0.01 0.37 0.11 4.77 2.43 -0.05 0.23 114.38 122.23 1th4 h ARG 491 Ca 0.42 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.56 1th4 h ARG 491 Cb 0.66 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1th4 h ARG 491 CO -0.95 0.24 -0.05 0.82 -1.51 0.00 0.00 179.97 178.51 1th4 h ILE 492 N 0.38 1.03 -0.95 1.20 2.04 -0.01 -3.28 117.51 117.91 1th4 h ILE 492 Ca 0.53 -1.27 0.14 0.00 1.00 0.00 0.00 64.86 65.26 1th4 h ILE 492 Cb 0.97 1.74 -0.15 0.00 -0.74 0.00 0.00 36.82 38.64 1th4 h ILE 492 CO -0.52 0.27 -0.39 1.67 0.00 0.00 0.00 178.15 179.18 1th4 n GLN 493 N -4.87 -0.24 -0.37 2.37 -0.06 0.12 -0.03 117.38 114.30 1th4 n GLN 493 Ca -0.08 1.46 -0.07 0.00 -2.00 0.00 0.00 57.00 56.31 1th4 n GLN 493 Cb 0.28 -2.17 -0.04 0.00 -4.06 0.00 0.00 30.24 24.25 1th4 n GLN 493 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1th4 h ALA 494 N 1.23 -0.29 -0.86 1.69 0.00 -0.67 0.26 119.26 120.63 1th4 h ALA 494 Ca 0.31 0.17 0.14 0.00 0.00 0.00 0.00 54.91 55.53 1th4 h ALA 494 Cb 0.55 1.19 -0.09 0.00 0.00 0.00 0.00 17.79 19.44 1th4 h ALA 494 CO -0.94 -0.84 0.46 -0.07 0.00 0.00 0.00 179.25 177.86 1th4 h LEU 495 N -0.05 0.59 0.22 0.00 3.38 -0.51 -2.53 115.31 116.41 1th4 h LEU 495 Ca 0.22 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.27 1th4 h LEU 495 Cb 0.50 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1th4 h LEU 495 CO -0.91 0.27 -0.18 -0.07 0.09 0.00 0.00 178.44 177.64 1th4 h LEU 496 N 0.68 -0.48 -0.98 1.67 3.38 -0.05 0.80 115.31 120.33 1th4 h LEU 496 Ca 0.45 0.04 0.17 0.00 0.09 0.00 0.00 57.88 58.64 1th4 h LEU 496 Cb 0.59 0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.40 1th4 h LEU 496 CO -0.33 -0.28 0.59 0.44 0.09 0.00 0.00 178.44 178.94 1th4 h ASP 497 N -0.42 0.77 0.02 -0.43 3.32 -1.00 1.02 116.42 119.69 1th4 h ASP 497 Ca -0.01 0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1th4 h ASP 497 Cb 0.38 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1th4 h ASP 497 CO -0.02 0.30 -0.01 0.50 -1.72 0.00 0.00 179.24 178.29 1th4 h LYS 498 N 0.78 -0.02 -0.63 3.56 3.11 -1.09 -2.69 116.57 119.58 1th4 h LYS 498 Ca 0.55 0.00 0.18 0.00 -2.81 0.00 0.00 60.65 58.58 1th4 h LYS 498 Cb 0.80 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.01 1th4 h LYS 498 CO -0.36 0.40 0.48 1.88 -2.81 0.00 0.00 179.45 179.04 1th4 h TYR 499 N -0.45 0.00 0.00 1.91 0.05 0.35 1.77 116.97 120.61 1th4 h TYR 499 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1th4 h TYR 499 Cb 0.43 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.17 1th4 h TYR 499 CO 0.07 0.00 0.00 0.09 -1.05 0.00 0.00 178.16 177.27 1th4 n ASN 500 N -4.25 0.00 0.00 3.88 5.03 0.32 -5.05 115.26 115.19 1th4 n ASN 500 Ca 0.12 -1.97 0.00 0.00 0.87 0.00 0.00 54.58 53.61 1th4 n ASN 500 Cb 0.72 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.48 1th4 n ASN 500 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59