#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1d n HIS 11 N 0.00 1.07 -0.07 4.31 8.25 -1.26 -3.86 115.22 123.65 3k1d n HIS 11 Ca 0.00 -1.59 -0.15 0.00 -0.26 0.00 0.00 57.72 55.72 3k1d n HIS 11 Cb 0.00 -0.78 -0.05 0.00 1.12 0.00 0.00 29.99 30.28 3k1d n HIS 11 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3k1d n LEU 12 N 0.62 1.40 -4.29 2.41 7.94 -1.26 -4.96 117.00 118.87 3k1d n LEU 12 Ca 0.21 0.13 -0.34 0.00 -1.11 0.00 0.00 56.01 54.90 3k1d n LEU 12 Cb 0.59 -0.44 -0.15 0.00 0.53 0.00 0.00 43.42 43.95 3k1d n LEU 12 CO 0.26 0.39 -0.45 0.00 -1.11 0.00 0.00 177.39 176.47 3k1d s ALA 13 N -2.27 2.58 1.11 1.96 0.00 -1.25 -4.86 121.76 119.03 3k1d s ALA 13 Ca -0.20 -1.06 -0.17 0.00 0.00 0.00 0.00 51.96 50.53 3k1d s ALA 13 Cb 0.07 -1.33 0.13 0.00 0.00 0.00 0.00 23.12 21.99 3k1d s ALA 13 CO 0.27 -0.09 0.23 -2.30 0.00 0.00 0.00 175.76 173.87 3k1d n PRO 14 N 4.17 -1.58 -2.07 0.00 -0.02 -1.26 -4.94 135.00 129.29 3k1d n PRO 14 Ca -0.19 -0.44 -0.34 0.00 -2.02 0.00 0.00 63.50 60.51 3k1d n PRO 14 Cb 0.52 -1.80 0.02 0.00 -0.02 0.00 0.00 33.50 32.21 3k1d n PRO 14 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3k1d s GLU 15 N -3.64 3.15 0.27 -0.52 0.41 -1.26 -4.70 118.70 112.41 3k1d s GLU 15 Ca 0.58 1.53 -0.02 0.00 -0.41 0.00 0.00 54.97 56.65 3k1d s GLU 15 Cb -0.15 -1.98 0.59 0.00 -1.78 0.00 0.00 34.13 30.80 3k1d s GLU 15 CO 0.66 -1.00 1.62 -1.35 -0.49 0.00 0.00 175.26 174.70 3k1d h PRO 16 N 0.76 0.09 -0.16 0.39 0.11 -1.97 0.18 132.00 131.40 3k1d h PRO 16 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3k1d h PRO 16 Cb 1.26 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3k1d h PRO 16 CO 0.56 0.06 0.10 0.00 -0.21 0.00 0.00 178.00 178.51 3k1d h ALA 17 N 1.81 0.20 -0.23 -0.75 0.00 -1.99 0.24 119.26 118.55 3k1d h ALA 17 Ca 0.50 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.36 3k1d h ALA 17 Cb 0.96 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3k1d h ALA 17 CO -0.75 -0.31 0.02 0.93 0.00 0.00 0.00 179.25 179.14 3k1d h GLU 18 N 0.21 0.39 -0.98 0.00 4.39 -1.64 -2.22 114.58 114.72 3k1d h GLU 18 Ca 0.06 -0.11 0.05 0.00 0.34 0.00 0.00 59.36 59.69 3k1d h GLU 18 Cb -0.01 -0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 28.54 3k1d h GLU 18 CO -0.01 0.55 0.64 1.98 -1.16 0.00 0.00 179.01 181.01 3k1d h MET 19 N 0.17 1.17 -0.53 2.33 4.05 -0.52 0.22 114.93 121.82 3k1d h MET 19 Ca 0.07 -0.07 -0.10 0.00 -0.28 0.00 0.00 59.70 59.32 3k1d h MET 19 Cb 0.36 -0.26 -0.02 0.00 -0.80 0.00 0.00 31.60 30.88 3k1d h MET 19 CO 0.01 0.77 -0.06 0.00 0.23 0.00 0.00 176.91 177.86 3k1d h ALA 20 N 1.44 0.89 -0.29 0.39 0.00 -0.35 -2.01 119.26 119.33 3k1d h ALA 20 Ca 0.40 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3k1d h ALA 20 Cb 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3k1d h ALA 20 CO -0.14 0.65 -0.12 0.00 0.00 0.00 0.00 179.25 179.64 3k1d h ARG 21 N 0.87 0.59 -1.00 0.00 3.08 -0.72 -1.44 114.38 115.74 3k1d h ARG 21 Ca 0.15 -0.25 0.02 0.00 0.07 0.00 0.00 59.98 59.97 3k1d h ARG 21 Cb 0.59 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.57 3k1d h ARG 21 CO 0.04 0.81 0.66 1.25 -1.07 0.00 0.00 179.97 181.66 3k1d h LEU 22 N 0.34 1.13 -0.17 3.04 5.85 -0.86 0.12 115.31 124.76 3k1d h LEU 22 Ca 0.07 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.66 3k1d h LEU 22 Cb 0.63 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3k1d h LEU 22 CO 0.04 0.80 -0.48 -0.37 -0.34 0.00 0.00 178.44 178.09 3k1d h VAL 23 N 1.32 0.86 -0.01 1.05 -1.51 -1.28 -3.14 116.25 113.55 3k1d h VAL 23 Ca 0.38 -2.10 0.00 0.00 -1.23 0.00 0.00 66.70 63.75 3k1d h VAL 23 Cb -0.09 2.34 0.00 0.00 -2.13 0.00 0.00 31.29 31.41 3k1d h VAL 23 CO -0.10 0.47 -0.27 0.00 -1.23 0.00 0.00 177.57 176.44 3k1d n ALA 24 N -2.24 3.11 -2.04 5.19 0.00 -0.55 -4.95 120.51 119.04 3k1d n ALA 24 Ca 0.02 -0.43 -0.06 0.00 0.00 0.00 0.00 53.44 52.97 3k1d n ALA 24 Cb 0.70 -1.11 -0.01 0.00 0.00 0.00 0.00 19.45 19.04 3k1d n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k1d n GLY 25 N 1.34 0.18 0.54 0.00 0.00 0.22 -4.95 105.19 102.53 3k1d n GLY 25 Ca 0.12 -0.63 0.06 0.00 0.00 0.00 0.00 46.02 45.57 3k1d n GLY 25 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3k1d n THR 26 N -3.89 2.17 -3.42 2.61 -2.24 0.00 -4.39 114.28 105.12 3k1d n THR 26 Ca -0.08 -2.95 -0.38 0.00 -2.27 0.00 0.00 64.05 58.38 3k1d n THR 26 Cb 0.53 -0.25 -0.06 0.00 -2.10 0.00 0.00 70.33 68.45 3k1d n THR 26 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3k1d s HIS 27 N -3.15 3.56 -0.49 4.78 5.04 -1.22 -4.70 115.29 119.11 3k1d s HIS 27 Ca 0.37 0.85 0.24 0.00 -1.54 0.00 0.00 55.06 54.98 3k1d s HIS 27 Cb 0.35 -2.43 0.39 0.00 0.04 0.00 0.00 32.58 30.93 3k1d s HIS 27 CO -0.04 0.31 1.52 1.12 -2.34 0.00 0.00 174.74 175.32 3k1d h HIS 28 N 6.17 0.00 -2.20 3.88 2.07 -1.88 -3.41 115.15 119.78 3k1d h HIS 28 Ca -0.44 0.00 -0.57 0.00 -2.85 0.00 0.00 60.37 56.51 3k1d h HIS 28 Cb 1.19 0.00 -0.38 0.00 2.57 0.00 0.00 27.41 30.79 3k1d h HIS 28 CO 0.64 0.00 -1.01 -1.71 -3.07 0.00 0.00 177.93 172.78 3k1d n ASN 29 N -2.75 -0.37 -0.24 3.10 5.15 -1.26 -1.54 115.26 117.36 3k1d n ASN 29 Ca 0.04 -2.49 0.03 0.00 -0.60 0.00 0.00 54.58 51.56 3k1d n ASN 29 Cb 0.50 -0.52 0.15 0.00 -0.53 0.00 0.00 39.78 39.39 3k1d n ASN 29 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3k1d h PRO 30 N 5.10 0.46 0.00 1.20 0.11 -1.79 -1.24 132.00 135.83 3k1d h PRO 30 Ca 0.20 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3k1d h PRO 30 Cb 0.91 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3k1d h PRO 30 CO 0.39 0.30 0.05 0.45 -0.21 0.00 0.00 178.00 178.98 3k1d h HIS 31 N 0.47 0.00 -0.01 0.65 3.86 -1.86 0.12 115.15 118.38 3k1d h HIS 31 Ca 0.37 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.41 3k1d h HIS 31 Cb 0.50 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 3k1d h HIS 31 CO -0.15 0.00 -0.79 0.78 0.86 0.00 0.00 177.93 178.63 3k1d h GLY 32 N 0.00 0.16 0.00 2.45 0.00 -1.58 -3.37 103.07 100.74 3k1d h GLY 32 Ca 0.00 -0.27 -0.43 0.00 0.00 0.00 0.00 47.33 46.63 3k1d h GLY 32 CO 0.00 0.24 -2.40 1.39 0.00 0.00 0.00 176.54 175.77 3k1d n ILE 33 N -3.70 1.53 -2.01 2.60 5.41 -0.41 -5.00 119.36 117.78 3k1d n ILE 33 Ca -0.03 -0.34 -0.32 0.00 1.00 0.00 0.00 62.75 63.06 3k1d n ILE 33 Cb 0.75 -1.91 0.01 0.00 -0.71 0.00 0.00 39.64 37.78 3k1d n ILE 33 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3k1d s LEU 34 N -7.55 3.46 0.00 1.39 1.02 0.28 -4.61 118.68 112.66 3k1d s LEU 34 Ca -0.38 1.76 0.00 0.00 0.02 0.00 0.00 54.13 55.54 3k1d s LEU 34 Cb 0.14 -4.53 0.00 0.00 0.02 0.00 0.00 46.19 41.82 3k1d s LEU 34 CO 0.49 -1.15 0.00 0.61 0.02 0.00 0.00 176.35 176.32 3k1d n GLY 35 N -1.18 0.09 3.41 -3.19 0.00 -0.70 -4.59 105.19 99.04 3k1d n GLY 35 Ca 0.08 -1.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.05 3k1d n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1d s ALA 36 N -1.90 2.79 -0.00 4.61 0.00 -1.26 -0.80 121.76 125.19 3k1d s ALA 36 Ca 0.00 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.08 3k1d s ALA 36 Cb 0.00 -1.40 -0.00 0.00 0.00 0.00 0.00 23.12 21.72 3k1d s ALA 36 CO 0.00 0.17 -0.04 -1.01 0.00 0.00 0.00 175.76 174.87 3k1d s HIS 37 N 0.47 0.41 -0.27 0.00 3.76 0.41 -4.98 115.29 115.09 3k1d s HIS 37 Ca -0.07 -0.08 -0.10 0.00 -0.15 0.00 0.00 55.06 54.66 3k1d s HIS 37 Cb -0.15 -0.27 -0.05 0.00 1.11 0.00 0.00 32.58 33.22 3k1d s HIS 37 CO 0.04 -0.01 0.17 -1.21 -0.85 0.00 0.00 174.74 172.87 3k1d s GLU 38 N -0.08 3.92 -0.34 1.40 2.02 -1.26 0.31 118.70 124.67 3k1d s GLU 38 Ca 0.01 -0.34 -0.02 0.00 0.02 0.00 0.00 54.97 54.64 3k1d s GLU 38 Cb -0.02 -3.59 0.07 0.00 0.10 0.00 0.00 34.13 30.69 3k1d s GLU 38 CO -0.00 -0.15 0.07 0.71 0.02 0.00 0.00 175.26 175.91 3k1d s TYR 39 N 1.65 3.38 0.00 1.61 1.51 -1.13 -4.81 117.35 119.56 3k1d s TYR 39 Ca 0.07 -2.03 0.00 0.00 -1.01 0.00 0.00 57.07 54.09 3k1d s TYR 39 Cb -0.16 -2.48 0.00 0.00 -0.11 0.00 0.00 41.96 39.21 3k1d s TYR 39 CO 0.09 -0.85 0.00 -3.47 -1.11 0.00 0.00 175.55 170.21 3k1d n ASP 40 N 4.62 0.00 0.00 2.29 4.64 -1.26 -3.76 116.55 123.08 3k1d n ASP 40 Ca -0.09 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.32 3k1d n ASP 40 Cb 0.43 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.51 3k1d n ASP 40 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 3k1d n ASP 41 N 1.76 0.00 -4.59 1.67 2.03 -1.26 -5.12 116.55 111.03 3k1d n ASP 41 Ca 0.00 0.00 -0.53 0.00 0.52 0.00 0.00 54.79 54.78 3k1d n ASP 41 Cb 0.00 0.17 -0.06 0.00 -0.72 0.00 0.00 41.12 40.51 3k1d n ASP 41 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3k1d n HIS 42 N -1.60 1.49 -2.94 -0.67 1.44 -1.25 -4.55 115.22 107.15 3k1d n HIS 42 Ca 0.00 0.66 -0.41 0.00 -2.01 0.00 0.00 57.72 55.96 3k1d n HIS 42 Cb 0.00 -2.32 -0.05 0.00 0.12 0.00 0.00 29.99 27.74 3k1d n HIS 42 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 3k1d s THR 43 N 0.73 4.87 -0.07 0.61 -4.23 -1.14 -2.83 115.64 113.58 3k1d s THR 43 Ca 0.86 1.47 -0.13 0.00 -1.18 0.00 0.00 61.69 62.71 3k1d s THR 43 Cb -0.99 -4.07 -0.05 0.00 1.34 0.00 0.00 72.50 68.72 3k1d s THR 43 CO 0.49 -0.05 0.32 -0.69 -0.54 0.00 0.00 174.62 174.15 3k1d s VAL 44 N 2.76 5.22 -0.11 2.29 1.01 0.15 -4.43 120.40 127.28 3k1d s VAL 44 Ca 0.33 0.62 0.03 0.00 0.00 0.00 0.00 61.98 62.96 3k1d s VAL 44 Cb -0.15 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.61 3k1d s VAL 44 CO 0.08 0.54 -0.19 -0.63 0.00 0.00 0.00 175.10 174.89 3k1d s ILE 45 N -0.65 1.77 0.13 2.22 1.01 -1.26 -0.45 121.20 123.98 3k1d s ILE 45 Ca 0.20 -0.83 0.10 0.00 0.00 0.00 0.00 60.65 60.12 3k1d s ILE 45 Cb -0.15 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 3k1d s ILE 45 CO 0.09 0.50 -0.24 -0.13 0.00 0.00 0.00 174.94 175.15 3k1d s ARG 46 N 0.66 1.32 -0.07 2.79 0.52 0.02 -0.55 118.95 123.64 3k1d s ARG 46 Ca -0.13 -1.32 -0.03 0.00 -0.52 0.00 0.00 55.73 53.73 3k1d s ARG 46 Cb -0.16 -1.69 0.04 0.00 0.52 0.00 0.00 34.95 33.65 3k1d s ARG 46 CO 0.03 0.39 0.16 0.00 0.02 0.00 0.00 175.30 175.90 3k1d s ALA 47 N -1.24 -0.31 -0.32 2.13 0.00 -0.57 -1.71 121.76 119.74 3k1d s ALA 47 Ca 0.13 0.72 -0.07 0.00 0.00 0.00 0.00 51.96 52.73 3k1d s ALA 47 Cb -0.09 -0.48 0.02 0.00 0.00 0.00 0.00 23.12 22.57 3k1d s ALA 47 CO 0.06 -0.16 0.11 0.12 0.00 0.00 0.00 175.76 175.89 3k1d s PHE 48 N 1.16 3.20 -0.44 0.00 5.36 -1.26 -1.15 117.98 124.86 3k1d s PHE 48 Ca -0.09 -1.09 0.06 0.00 -0.96 0.00 0.00 56.93 54.85 3k1d s PHE 48 Cb -0.11 -2.30 0.18 0.00 -0.34 0.00 0.00 43.02 40.45 3k1d s PHE 48 CO -0.06 -0.63 0.55 1.03 -1.46 0.00 0.00 175.22 174.65 3k1d s ARG 49 N 1.48 0.87 0.64 10.12 0.52 -0.77 -4.54 118.95 127.28 3k1d s ARG 49 Ca 0.01 -0.96 -0.17 0.00 -0.52 0.00 0.00 55.73 54.09 3k1d s ARG 49 Cb -0.18 -0.40 -0.05 0.00 0.52 0.00 0.00 34.95 34.84 3k1d s ARG 49 CO 0.03 -1.27 0.69 -2.30 0.02 0.00 0.00 175.30 172.47 3k1d n PRO 50 N 3.66 0.54 -1.79 3.54 -0.02 -1.25 -2.55 135.00 137.13 3k1d n PRO 50 Ca 0.16 0.22 -0.18 0.00 -2.02 0.00 0.00 63.50 61.69 3k1d n PRO 50 Cb 0.52 -1.92 -0.05 0.00 -0.02 0.00 0.00 33.50 32.03 3k1d n PRO 50 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3k1d n HIS 51 N -2.03 -0.28 -2.82 6.00 8.25 -1.26 -4.98 115.22 118.10 3k1d n HIS 51 Ca 0.12 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.31 3k1d n HIS 51 Cb 0.48 -3.17 -0.01 0.00 1.12 0.00 0.00 29.99 28.41 3k1d n HIS 51 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3k1d s ALA 52 N -2.73 3.46 -0.07 -1.41 0.00 -1.06 -4.84 121.76 115.12 3k1d s ALA 52 Ca 0.00 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.43 3k1d s ALA 52 Cb 0.00 -2.49 -0.07 0.00 0.00 0.00 0.00 23.12 20.56 3k1d s ALA 52 CO 0.00 -0.24 -0.02 0.28 0.00 0.00 0.00 175.76 175.78 3k1d n VAL 53 N -2.04 0.45 -3.66 0.00 0.31 -0.35 -5.02 118.33 108.02 3k1d n VAL 53 Ca -0.00 -0.23 -0.14 0.00 -0.01 0.00 0.00 64.34 63.96 3k1d n VAL 53 Cb 0.55 -0.81 -0.08 0.00 -0.91 0.00 0.00 33.84 32.59 3k1d n VAL 53 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3k1d s GLU 54 N -2.16 0.74 0.00 5.55 2.12 -1.23 -5.00 118.70 118.72 3k1d s GLU 54 Ca -0.07 0.87 0.00 0.00 0.36 0.00 0.00 54.97 56.13 3k1d s GLU 54 Cb 0.02 0.36 0.00 0.00 0.26 0.00 0.00 34.13 34.77 3k1d s GLU 54 CO 0.23 -0.09 0.00 0.28 -0.54 0.00 0.00 175.26 175.14 3k1d n VAL 55 N 2.73 0.00 -1.91 3.70 0.31 -1.26 -1.07 118.33 120.83 3k1d n VAL 55 Ca -0.14 0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3k1d n VAL 55 Cb 0.56 -1.03 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 3k1d n VAL 55 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3k1d n VAL 56 N -2.03 -5.91 -4.03 2.52 0.31 -1.26 -2.42 118.33 105.52 3k1d n VAL 56 Ca 0.00 2.73 -0.30 0.00 -0.01 0.00 0.00 64.34 66.77 3k1d n VAL 56 Cb 0.00 -3.56 -0.06 0.00 -0.91 0.00 0.00 33.84 29.31 3k1d n VAL 56 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3k1d s ALA 57 N -2.26 3.67 -0.25 3.52 0.00 -1.26 -2.29 121.76 122.88 3k1d s ALA 57 Ca 0.00 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.96 3k1d s ALA 57 Cb 0.00 -1.51 0.05 0.00 0.00 0.00 0.00 23.12 21.65 3k1d s ALA 57 CO 0.00 0.72 -0.10 -0.51 0.00 0.00 0.00 175.76 175.87 3k1d s LEU 58 N -2.56 3.29 -0.32 0.00 1.43 0.21 -4.20 118.68 116.53 3k1d s LEU 58 Ca 0.31 -1.18 0.00 0.00 -1.03 0.00 0.00 54.13 52.24 3k1d s LEU 58 Cb -0.12 -1.59 0.07 0.00 0.03 0.00 0.00 46.19 44.59 3k1d s LEU 58 CO 0.24 -0.16 0.02 -0.69 0.23 0.00 0.00 176.35 175.98 3k1d s VAL 59 N 1.19 2.68 0.00 -1.59 1.01 -0.50 -2.75 120.40 120.45 3k1d s VAL 59 Ca -0.05 -1.78 0.00 0.00 0.00 0.00 0.00 61.98 60.15 3k1d s VAL 59 Cb -0.18 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.49 3k1d s VAL 59 CO -0.05 -0.30 0.00 0.61 0.00 0.00 0.00 175.10 175.35 3k1d n GLY 60 N 4.49 1.42 0.26 4.51 0.00 -1.26 -1.42 105.19 113.19 3k1d n GLY 60 Ca -0.08 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3k1d n GLY 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3k1d n LYS 61 N 0.00 0.13 -4.05 1.61 5.02 -1.26 -5.05 118.16 114.55 3k1d n LYS 61 Ca 0.00 -0.85 -0.34 0.00 -2.02 0.00 0.00 58.31 55.10 3k1d n LYS 61 Cb 0.00 -0.55 -0.14 0.00 -0.02 0.00 0.00 35.03 34.32 3k1d n LYS 61 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3k1d s ASP 62 N -0.63 4.11 0.00 4.39 1.11 -0.50 -4.92 116.67 120.22 3k1d s ASP 62 Ca 0.01 -0.41 0.16 0.00 0.18 0.00 0.00 52.55 52.49 3k1d s ASP 62 Cb 0.01 -1.69 0.97 0.00 1.07 0.00 0.00 42.92 43.28 3k1d s ASP 62 CO 0.00 0.01 1.53 -1.14 1.18 0.00 0.00 175.17 176.75 3k1d n ARG 63 N 4.59 0.87 -1.10 8.23 0.63 -1.26 -1.41 116.66 127.20 3k1d n ARG 63 Ca -0.19 0.00 -0.07 0.00 -0.92 0.00 0.00 57.85 56.67 3k1d n ARG 63 Cb 0.51 -1.29 -0.07 0.00 0.45 0.00 0.00 32.46 32.05 3k1d n ARG 63 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3k1d n PHE 64 N -0.79 0.00 0.00 -0.14 7.35 -1.26 -4.33 117.46 118.29 3k1d n PHE 64 Ca 0.12 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.81 3k1d n PHE 64 Cb 0.06 -0.47 0.00 0.00 0.35 0.00 0.00 39.48 39.41 3k1d n PHE 64 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 3k1d n SER 65 N 4.56 0.00 -0.38 -2.13 7.64 -1.26 -4.79 113.62 117.26 3k1d n SER 65 Ca 0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.10 3k1d n SER 65 Cb 0.36 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 3k1d n SER 65 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3k1d n LEU 66 N 0.00 -1.24 -4.07 -3.43 4.32 -1.26 -4.88 117.00 106.44 3k1d n LEU 66 Ca 0.00 0.73 -0.10 0.00 -0.02 0.00 0.00 56.01 56.62 3k1d n LEU 66 Cb 0.00 0.04 -0.08 0.00 -1.62 0.00 0.00 43.42 41.76 3k1d n LEU 66 CO 0.00 0.09 -0.11 -1.10 -1.22 0.00 0.00 177.39 175.05 3k1d s GLN 67 N -5.39 1.17 0.00 3.23 -0.21 -1.26 -4.59 119.66 112.60 3k1d s GLN 67 Ca 0.00 -1.36 0.00 0.00 0.02 0.00 0.00 55.36 54.02 3k1d s GLN 67 Cb 0.00 0.33 0.00 0.00 1.00 0.00 0.00 33.01 34.34 3k1d s GLN 67 CO 0.00 -0.41 0.01 -2.39 -2.12 0.00 0.00 175.29 170.38 3k1d n HIS 68 N -0.22 0.00 -1.37 0.91 1.44 -1.26 -4.55 115.22 110.17 3k1d n HIS 68 Ca -0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.67 3k1d n HIS 68 Cb 0.64 0.08 0.00 0.00 0.12 0.00 0.00 29.99 30.83 3k1d n HIS 68 CO 0.00 0.00 0.00 1.47 -2.81 0.00 0.00 176.34 175.00 3k1d n LEU 69 N 0.00 0.00 0.00 2.39 -0.00 -1.25 -4.99 117.00 113.15 3k1d n LEU 69 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3k1d n LEU 69 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.52 3k1d n LEU 69 CO 0.00 -0.35 0.00 0.47 -0.00 0.00 0.00 177.39 177.51 3k1d n ASP 70 N -2.09 -1.57 -2.81 1.45 10.43 -1.26 -4.06 116.55 116.66 3k1d n ASP 70 Ca 0.00 0.00 -0.37 0.00 2.57 0.00 0.00 54.79 56.99 3k1d n ASP 70 Cb 0.00 0.00 0.03 0.00 1.84 0.00 0.00 41.12 42.99 3k1d n ASP 70 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3k1d n SER 71 N -3.61 6.89 0.00 -2.24 7.64 -1.26 -4.60 113.62 116.43 3k1d n SER 71 Ca 0.00 -3.81 0.00 0.00 1.01 0.00 0.00 58.87 56.07 3k1d n SER 71 Cb 0.00 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 3k1d n SER 71 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k1d n GLY 72 N -0.53 1.54 3.90 0.23 0.00 -1.26 -4.90 105.19 104.16 3k1d n GLY 72 Ca 0.51 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.23 3k1d n GLY 72 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k1d s LEU 73 N 0.00 4.09 0.02 0.99 2.96 -1.26 -1.85 118.68 123.64 3k1d s LEU 73 Ca 0.00 0.74 0.01 0.00 -0.22 0.00 0.00 54.13 54.66 3k1d s LEU 73 Cb 0.00 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 43.13 3k1d s LEU 73 CO 0.00 -0.16 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.47 3k1d s PHE 74 N -2.01 0.38 0.02 5.38 0.40 -0.30 -3.76 117.98 118.09 3k1d s PHE 74 Ca 0.44 -0.45 0.01 0.00 -0.60 0.00 0.00 56.93 56.33 3k1d s PHE 74 Cb -0.11 -0.25 -0.01 0.00 0.51 0.00 0.00 43.02 43.16 3k1d s PHE 74 CO 0.28 -0.13 -0.05 0.00 0.70 0.00 0.00 175.22 176.02 3k1d s ALA 75 N -1.24 0.39 -0.24 5.36 0.00 -1.26 -1.50 121.76 123.25 3k1d s ALA 75 Ca -0.12 -0.43 -0.03 0.00 0.00 0.00 0.00 51.96 51.39 3k1d s ALA 75 Cb -0.09 -0.01 -0.17 0.00 0.00 0.00 0.00 23.12 22.85 3k1d s ALA 75 CO -0.00 0.02 -0.16 0.28 0.00 0.00 0.00 175.76 175.89 3k1d n VAL 76 N 2.28 1.54 0.00 0.00 0.31 0.29 -4.29 118.33 118.46 3k1d n VAL 76 Ca -0.18 -0.53 0.00 0.00 -0.01 0.00 0.00 64.34 63.62 3k1d n VAL 76 Cb 0.57 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 3k1d n VAL 76 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3k1d n ALA 77 N -3.41 0.00 -1.77 3.52 0.00 -1.26 -4.91 120.51 112.68 3k1d n ALA 77 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 53.44 52.99 3k1d n ALA 77 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.42 3k1d n ALA 77 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3k1d n LEU 78 N 0.00 -3.41 0.00 0.00 4.77 -1.26 -4.45 117.00 112.66 3k1d n LEU 78 Ca 0.00 3.20 0.00 0.00 -0.03 0.00 0.00 56.01 59.18 3k1d n LEU 78 Cb 0.00 -3.26 0.00 0.00 -2.33 0.00 0.00 43.42 37.83 3k1d n LEU 78 CO 0.00 0.14 0.00 -2.65 -1.33 0.00 0.00 177.39 173.55 3k1d n PRO 79 N -0.47 2.38 -1.50 3.23 -0.02 -1.26 -3.79 135.00 133.57 3k1d n PRO 79 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3k1d n PRO 79 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3k1d n PRO 79 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3k1d n PHE 80 N -0.30 -3.47 -4.23 6.00 1.16 -1.26 -4.05 117.46 111.30 3k1d n PHE 80 Ca 0.00 1.88 -0.23 0.00 -1.87 0.00 0.00 57.45 57.23 3k1d n PHE 80 Cb 0.00 -2.89 -0.03 0.00 -1.61 0.00 0.00 39.48 34.95 3k1d n PHE 80 CO 0.00 0.00 0.00 1.33 -1.87 0.00 0.00 176.76 176.22 3k1d n VAL 81 N -2.21 0.00 0.00 1.97 0.24 -1.26 -2.87 118.33 114.20 3k1d n VAL 81 Ca 0.00 -1.78 0.00 0.00 -2.04 0.00 0.00 64.34 60.52 3k1d n VAL 81 Cb 0.32 0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.83 3k1d n VAL 81 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3k1d n ASP 82 N -1.52 0.00 0.00 -1.34 8.00 -1.26 -4.85 116.55 115.58 3k1d n ASP 82 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.40 3k1d n ASP 82 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 3k1d n ASP 82 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3k1d n LEU 83 N 0.00 0.00 -2.64 0.64 7.94 -1.26 -4.78 117.00 116.89 3k1d n LEU 83 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.89 3k1d n LEU 83 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 3k1d n LEU 83 CO 0.00 0.00 -0.52 -0.38 -1.11 0.00 0.00 177.39 175.38 3k1d n ILE 84 N 0.00-11.93 -1.36 1.96 5.41 -1.26 -4.92 119.36 107.25 3k1d n ILE 84 Ca 0.00 2.01 0.00 0.00 1.00 0.00 0.00 62.75 65.76 3k1d n ILE 84 Cb 0.00 -6.75 0.00 0.00 -0.71 0.00 0.00 39.64 32.18 3k1d n ILE 84 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 3k1d n ASP 85 N 0.90 -7.41 -0.01 4.38 2.03 -1.26 -4.92 116.55 110.26 3k1d n ASP 85 Ca -0.10 1.39 0.00 0.00 0.52 0.00 0.00 54.79 56.60 3k1d n ASP 85 Cb 0.15 -4.15 0.00 0.00 -0.72 0.00 0.00 41.12 36.40 3k1d n ASP 85 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3k1d n TYR 86 N -1.79 -0.00 -3.58 -0.67 0.18 -1.26 -4.79 117.16 105.24 3k1d n TYR 86 Ca 0.00 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.64 3k1d n TYR 86 Cb 0.24 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.13 3k1d n TYR 86 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 3k1d s ARG 87 N 0.98 0.79 0.24 -3.48 3.52 -1.11 -4.70 118.95 115.18 3k1d s ARG 87 Ca 0.00 0.49 0.05 0.00 -0.13 0.00 0.00 55.73 56.15 3k1d s ARG 87 Cb 0.00 0.38 -0.03 0.00 -1.56 0.00 0.00 34.95 33.74 3k1d s ARG 87 CO 0.00 -0.18 0.32 -0.51 -0.81 0.00 0.00 175.30 174.12 3k1d s LEU 88 N -0.48 4.21 -0.43 -0.88 1.43 -0.24 -0.62 118.68 121.67 3k1d s LEU 88 Ca -0.03 0.00 0.05 0.00 -1.03 0.00 0.00 54.13 53.12 3k1d s LEU 88 Cb -0.02 -2.75 0.19 0.00 0.03 0.00 0.00 46.19 43.64 3k1d s LEU 88 CO 0.03 -0.06 0.40 1.67 0.23 0.00 0.00 176.35 178.62 3k1d n GLN 89 N -1.33 0.47 -1.60 1.70 7.27 -0.97 -0.73 117.38 122.19 3k1d n GLN 89 Ca -0.09 -3.31 -0.33 0.00 0.07 0.00 0.00 57.00 53.34 3k1d n GLN 89 Cb 0.57 -1.63 0.07 0.00 2.41 0.00 0.00 30.24 31.66 3k1d n GLN 89 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 3k1d s VAL 90 N -0.37 2.87 -0.02 1.69 1.01 -1.16 -4.25 120.40 120.18 3k1d s VAL 90 Ca 0.33 0.41 -0.07 0.00 0.00 0.00 0.00 61.98 62.64 3k1d s VAL 90 Cb 0.06 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.53 3k1d s VAL 90 CO -0.17 -0.25 0.16 -0.89 0.00 0.00 0.00 175.10 173.95 3k1d s THR 91 N -2.23 0.06 0.27 3.92 2.01 -0.23 -2.31 115.64 117.12 3k1d s THR 91 Ca 0.69 -0.46 0.03 0.00 0.31 0.00 0.00 61.69 62.26 3k1d s THR 91 Cb -0.24 -0.39 -0.04 0.00 0.01 0.00 0.00 72.50 71.85 3k1d s THR 91 CO 0.44 -0.25 0.17 -0.31 -0.69 0.00 0.00 174.62 173.98 3k1d s TYR 92 N -0.90 1.48 0.06 4.92 1.51 -1.26 -1.21 117.35 121.95 3k1d s TYR 92 Ca -0.10 -1.43 -0.30 0.00 -1.01 0.00 0.00 57.07 54.23 3k1d s TYR 92 Cb -0.05 -0.72 -0.05 0.00 -0.11 0.00 0.00 41.96 41.02 3k1d s TYR 92 CO 0.01 -0.63 1.10 -1.21 -1.11 0.00 0.00 175.55 173.71 3k1d s GLU 93 N -3.86 4.51 0.00 -0.62 2.02 -1.26 -3.21 118.70 116.28 3k1d s GLU 93 Ca 0.38 1.63 0.00 0.00 0.02 0.00 0.00 54.97 57.01 3k1d s GLU 93 Cb 0.05 -3.37 0.00 0.00 0.10 0.00 0.00 34.13 30.91 3k1d s GLU 93 CO 0.18 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.76 3k1d n GLY 94 N 2.87 2.49 3.46 -1.39 0.00 -1.26 -5.01 105.19 106.35 3k1d n GLY 94 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 3k1d n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1d s GLU 96 N -3.55 3.76 1.07 0.00 2.02 -1.26 -4.33 118.70 116.41 3k1d s GLU 96 Ca 0.29 0.21 -0.17 0.00 0.02 0.00 0.00 54.97 55.32 3k1d s GLU 96 Cb -0.03 -2.64 0.08 0.00 0.10 0.00 0.00 34.13 31.64 3k1d s GLU 96 CO 0.14 0.28 0.11 -2.30 0.02 0.00 0.00 175.26 173.51 3k1d n PRO 97 N -0.35 -1.20 -3.66 0.39 -0.02 -1.26 -4.80 135.00 124.10 3k1d n PRO 97 Ca 0.00 -0.32 -0.07 0.00 -2.02 0.00 0.00 63.50 61.08 3k1d n PRO 97 Cb 0.53 -1.74 -0.08 0.00 -0.02 0.00 0.00 33.50 32.19 3k1d n PRO 97 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3k1d s HIS 98 N -2.28 -0.92 -0.28 6.00 2.46 -0.98 -5.01 115.29 114.29 3k1d s HIS 98 Ca 0.56 1.75 -0.22 0.00 0.47 0.00 0.00 55.06 57.62 3k1d s HIS 98 Cb -0.14 0.46 -0.01 0.00 -0.13 0.00 0.00 32.58 32.76 3k1d s HIS 98 CO 0.67 -0.50 0.71 0.95 -2.47 0.00 0.00 174.74 174.10 3k1d s THR 99 N 2.21 4.90 0.09 0.89 -4.23 -1.26 -2.96 115.64 115.28 3k1d s THR 99 Ca -0.06 1.18 0.05 0.00 -1.18 0.00 0.00 61.69 61.67 3k1d s THR 99 Cb -0.10 -4.04 -0.03 0.00 1.34 0.00 0.00 72.50 69.67 3k1d s THR 99 CO -0.15 -0.10 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.02 3k1d s VAL 100 N 2.71 1.06 0.57 2.29 1.01 0.09 -4.96 120.40 123.17 3k1d s VAL 100 Ca 0.29 -1.53 -0.16 0.00 0.00 0.00 0.00 61.98 60.59 3k1d s VAL 100 Cb -0.15 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 3k1d s VAL 100 CO 0.10 -0.41 1.04 0.00 0.00 0.00 0.00 175.10 175.83 3k1d s ALA 101 N -1.96 2.81 -0.36 5.51 0.00 -1.26 -1.07 121.76 125.43 3k1d s ALA 101 Ca 0.03 0.36 -0.24 0.00 0.00 0.00 0.00 51.96 52.11 3k1d s ALA 101 Cb -0.06 -3.21 0.01 0.00 0.00 0.00 0.00 23.12 19.86 3k1d s ALA 101 CO 0.01 -0.68 0.84 0.34 0.00 0.00 0.00 175.76 176.28 3k1d s ASP 102 N -2.82 6.62 0.19 0.00 2.15 -1.26 -4.71 116.67 116.85 3k1d s ASP 102 Ca 0.63 0.50 -0.12 0.00 0.43 0.00 0.00 52.55 53.98 3k1d s ASP 102 Cb -0.15 -2.43 0.11 0.00 -0.30 0.00 0.00 42.92 40.16 3k1d s ASP 102 CO 0.35 -0.77 1.85 0.00 -0.17 0.00 0.00 175.17 176.44 3k1d h ALA 103 N 8.42 0.80 0.00 3.66 0.00 -1.94 -2.66 119.26 127.54 3k1d h ALA 103 Ca -0.24 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3k1d h ALA 103 Cb 1.09 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3k1d h ALA 103 CO 0.94 0.21 0.00 0.66 0.00 0.00 0.00 179.25 181.05 3k1d n TYR 104 N -4.66 0.00 0.09 0.00 4.02 -1.26 -1.65 117.16 113.69 3k1d n TYR 104 Ca 0.05 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.05 3k1d n TYR 104 Cb 0.03 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.22 3k1d n TYR 104 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 3k1d n ARG 105 N -0.80 0.60 -2.68 -0.72 0.63 -1.00 -4.51 116.66 108.18 3k1d n ARG 105 Ca 0.07 -0.12 -0.36 0.00 -0.92 0.00 0.00 57.85 56.53 3k1d n ARG 105 Cb 0.03 -1.58 -0.05 0.00 0.45 0.00 0.00 32.46 31.31 3k1d n ARG 105 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3k1d s PHE 106 N -3.45 3.37 0.74 -0.14 0.40 -0.66 -5.01 117.98 113.23 3k1d s PHE 106 Ca -0.05 1.67 -0.11 0.00 -0.60 0.00 0.00 56.93 57.83 3k1d s PHE 106 Cb 0.13 -3.00 0.03 0.00 0.51 0.00 0.00 43.02 40.70 3k1d s PHE 106 CO 0.88 -0.29 1.09 -0.51 0.70 0.00 0.00 175.22 177.09 3k1d s LEU 107 N -2.69 2.83 0.23 -0.37 1.43 -1.26 -4.96 118.68 113.89 3k1d s LEU 107 Ca 0.58 1.32 -0.31 0.00 -1.03 0.00 0.00 54.13 54.68 3k1d s LEU 107 Cb -0.17 -4.07 -0.14 0.00 0.03 0.00 0.00 46.19 41.84 3k1d s LEU 107 CO 0.22 -1.61 1.38 -2.65 0.23 0.00 0.00 176.35 173.93 3k1d n PRO 108 N -3.20 1.95 -0.25 1.29 -0.02 -1.26 -4.88 135.00 128.63 3k1d n PRO 108 Ca 0.07 0.69 0.04 0.00 -2.02 0.00 0.00 63.50 62.28 3k1d n PRO 108 Cb 0.56 -2.33 0.15 0.00 -0.02 0.00 0.00 33.50 31.85 3k1d n PRO 108 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3k1d n THR 109 N 1.88 0.72 -4.38 3.45 -2.24 -1.26 -4.80 114.28 107.65 3k1d n THR 109 Ca 0.12 -0.48 -0.22 0.00 -2.27 0.00 0.00 64.05 61.20 3k1d n THR 109 Cb 0.31 -0.06 -0.16 0.00 -2.10 0.00 0.00 70.33 68.31 3k1d n THR 109 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k1d s LEU 110 N -1.05 1.51 0.74 3.22 1.43 -1.26 -5.11 118.68 118.15 3k1d s LEU 110 Ca 0.21 -0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 52.99 3k1d s LEU 110 Cb 0.13 -0.63 0.03 0.00 0.03 0.00 0.00 46.19 45.76 3k1d s LEU 110 CO 0.11 -0.01 1.09 -0.83 0.23 0.00 0.00 176.35 176.94 3k1d s GLY 111 N 0.74 1.63 0.24 -3.19 0.00 -1.26 -4.98 107.32 100.51 3k1d s GLY 111 Ca -0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 44.72 44.33 3k1d s GLY 111 CO 0.02 0.13 1.66 -2.09 0.00 0.00 0.00 173.10 172.82 3k1d h GLU 112 N -0.80 0.63 0.03 2.90 4.57 -1.99 -2.95 114.58 116.96 3k1d h GLU 112 Ca -0.46 -0.26 -0.00 0.00 -1.18 0.00 0.00 59.36 57.47 3k1d h GLU 112 Cb 1.25 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 3k1d h GLU 112 CO 0.62 0.83 -0.02 0.28 -1.18 0.00 0.00 179.01 179.54 3k1d h VAL 113 N 0.55 1.03 -0.73 0.32 2.07 -1.99 -1.32 116.25 116.17 3k1d h VAL 113 Ca 0.07 -0.19 0.04 0.00 0.82 0.00 0.00 66.70 67.45 3k1d h VAL 113 Cb 0.73 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 3k1d h VAL 113 CO 0.06 0.05 0.45 0.44 0.02 0.00 0.00 177.57 178.59 3k1d h ASP 114 N -0.12 0.73 -0.47 0.57 3.32 -1.95 -1.38 116.42 117.12 3k1d h ASP 114 Ca -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3k1d h ASP 114 Cb 0.11 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 3k1d h ASP 114 CO 0.01 0.50 0.19 -0.07 -1.72 0.00 0.00 179.24 178.15 3k1d h LEU 115 N 0.87 0.69 -0.34 1.55 3.38 -1.33 -1.27 115.31 118.85 3k1d h LEU 115 Ca 0.30 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 58.08 3k1d h LEU 115 Cb 0.05 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3k1d h LEU 115 CO -0.13 0.63 -0.18 -0.74 0.09 0.00 0.00 178.44 178.12 3k1d h HIS 116 N 0.74 0.84 -0.78 1.13 2.76 -0.41 -0.71 115.15 118.72 3k1d h HIS 116 Ca 0.18 -0.21 -0.04 0.00 -2.20 0.00 0.00 60.37 58.10 3k1d h HIS 116 Cb 0.18 -0.19 -0.04 0.00 1.55 0.00 0.00 27.41 28.91 3k1d h HIS 116 CO 0.01 0.93 0.35 -0.07 -1.30 0.00 0.00 177.93 177.85 3k1d h LEU 117 N 0.50 1.05 -0.48 0.26 3.38 -0.95 -2.25 115.31 116.82 3k1d h LEU 117 Ca 0.07 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3k1d h LEU 117 Cb 0.72 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3k1d h LEU 117 CO 0.05 0.91 0.08 0.15 0.09 0.00 0.00 178.44 179.73 3k1d h PHE 118 N 1.12 0.84 0.00 1.13 3.57 -1.10 -0.77 116.94 121.73 3k1d h PHE 118 Ca 0.27 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 3k1d h PHE 118 Cb 0.17 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 3k1d h PHE 118 CO 0.02 0.77 -0.04 0.00 -2.23 0.00 0.00 178.31 176.83 3k1d h ALA 119 N 0.96 1.89 -0.00 2.41 0.00 -0.85 0.18 119.26 123.84 3k1d h ALA 119 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3k1d h ALA 119 Cb 0.38 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3k1d h ALA 119 CO 0.01 0.05 -0.27 0.39 0.00 0.00 0.00 179.25 179.42 3k1d n GLU 120 N -4.42 0.31 -2.40 0.00 1.02 -0.87 -4.70 120.64 109.58 3k1d n GLU 120 Ca -0.03 -0.14 -0.12 0.00 -0.02 0.00 0.00 57.16 56.85 3k1d n GLU 120 Cb 0.12 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 3k1d n GLU 120 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k1d n GLY 121 N 1.42 -0.06 0.68 0.62 0.00 0.62 -4.91 105.19 103.56 3k1d n GLY 121 Ca 0.09 -0.35 0.05 0.00 0.00 0.00 0.00 46.02 45.82 3k1d n GLY 121 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3k1d n ARG 122 N -2.30 0.81 -2.91 1.61 1.85 -0.37 -4.40 116.66 110.95 3k1d n ARG 122 Ca -0.11 -2.36 -0.43 0.00 -1.00 0.00 0.00 57.85 53.95 3k1d n ARG 122 Cb 0.59 -0.97 -0.05 0.00 -1.05 0.00 0.00 32.46 30.98 3k1d n ARG 122 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 3k1d s HIS 123 N -1.72 2.99 -1.24 2.89 2.46 -1.21 -4.91 115.29 114.55 3k1d s HIS 123 Ca 0.28 0.31 0.24 0.00 0.47 0.00 0.00 55.06 56.35 3k1d s HIS 123 Cb 0.28 -3.73 1.11 0.00 -0.13 0.00 0.00 32.58 30.11 3k1d s HIS 123 CO -0.06 -0.99 1.77 0.39 -2.47 0.00 0.00 174.74 173.38 3k1d n GLU 124 N 6.83 0.19 -2.64 2.88 1.02 -1.26 -3.42 120.64 124.24 3k1d n GLU 124 Ca 0.04 0.08 -0.10 0.00 -0.02 0.00 0.00 57.16 57.16 3k1d n GLU 124 Cb 0.48 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.43 3k1d n GLU 124 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3k1d n ARG 125 N -1.38 1.80 0.16 3.49 1.74 -1.26 -4.89 116.66 116.33 3k1d n ARG 125 Ca 0.09 -3.56 0.18 0.00 -0.77 0.00 0.00 57.85 53.79 3k1d n ARG 125 Cb 0.23 -1.56 0.79 0.00 -1.02 0.00 0.00 32.46 30.89 3k1d n ARG 125 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3k1d h LEU 126 N 2.76 0.00 -1.39 0.55 5.85 -1.90 -1.42 115.31 119.76 3k1d h LEU 126 Ca -0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3k1d h LEU 126 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3k1d h LEU 126 CO 0.47 0.00 0.00 4.11 -0.34 0.00 0.00 178.44 182.68 3k1d h TRP 127 N 0.00 0.00 0.00 1.25 0.09 -1.91 -1.05 115.95 114.33 3k1d h TRP 127 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.10 3k1d h TRP 127 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.89 3k1d h TRP 127 CO 0.00 0.00 -0.49 0.39 0.09 0.00 0.00 178.44 178.43 3k1d n GLU 128 N -2.67 0.28 -0.11 0.12 1.02 -0.54 -4.38 120.64 114.37 3k1d n GLU 128 Ca 0.00 0.11 -0.17 0.00 -0.02 0.00 0.00 57.16 57.09 3k1d n GLU 128 Cb 0.21 -1.70 -0.06 0.00 -0.02 0.00 0.00 31.44 29.87 3k1d n GLU 128 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3k1d n VAL 129 N -2.12 1.50 -2.66 2.62 0.31 -0.50 -5.01 118.33 112.46 3k1d n VAL 129 Ca 0.04 -0.04 -0.26 0.00 -0.01 0.00 0.00 64.34 64.06 3k1d n VAL 129 Cb 0.43 -2.17 0.01 0.00 -0.91 0.00 0.00 33.84 31.21 3k1d n VAL 129 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3k1d s LEU 130 N -7.81 3.54 0.00 7.52 1.43 -0.58 -4.80 118.68 117.97 3k1d s LEU 130 Ca -0.30 0.73 0.00 0.00 -1.03 0.00 0.00 54.13 53.53 3k1d s LEU 130 Cb 0.08 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.66 3k1d s LEU 130 CO 0.44 -0.73 0.00 0.61 0.23 0.00 0.00 176.35 176.90 3k1d n GLY 131 N -2.30 -1.46 3.37 -3.19 0.00 -0.52 -4.75 105.19 96.33 3k1d n GLY 131 Ca 0.02 -1.87 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 3k1d n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1d s ALA 132 N -1.87 2.92 -0.06 4.61 0.00 -1.26 -1.65 121.76 124.45 3k1d s ALA 132 Ca 0.00 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 50.86 3k1d s ALA 132 Cb 0.00 -1.77 0.02 0.00 0.00 0.00 0.00 23.12 21.37 3k1d s ALA 132 CO 0.00 -0.35 -0.06 -1.01 0.00 0.00 0.00 175.76 174.34 3k1d s HIS 133 N 1.35 0.96 0.34 0.00 3.76 -0.46 -4.67 115.29 116.58 3k1d s HIS 133 Ca 0.04 -0.32 -0.28 0.00 -0.15 0.00 0.00 55.06 54.35 3k1d s HIS 133 Cb -0.14 -0.81 -0.10 0.00 1.11 0.00 0.00 32.58 32.64 3k1d s HIS 133 CO -0.01 -0.25 1.26 -2.14 -0.85 0.00 0.00 174.74 172.76 3k1d s PRO 134 N 1.00 4.30 0.06 8.40 0.02 -1.26 -0.62 135.00 146.90 3k1d s PRO 134 Ca -0.09 2.11 -0.06 0.00 0.02 0.00 0.00 61.00 62.97 3k1d s PRO 134 Cb -0.14 -2.99 -0.01 0.00 0.02 0.00 0.00 34.50 31.37 3k1d s PRO 134 CO -0.00 -0.19 0.12 1.03 -0.33 0.00 0.00 177.00 177.62 3k1d s ARG 135 N -1.87 0.69 -0.03 5.54 0.52 0.81 -4.86 118.95 119.75 3k1d s ARG 135 Ca 0.50 -0.89 0.01 0.00 -0.52 0.00 0.00 55.73 54.84 3k1d s ARG 135 Cb -0.37 0.27 0.01 0.00 0.52 0.00 0.00 34.95 35.38 3k1d s ARG 135 CO 0.49 -0.19 -0.05 -1.12 0.02 0.00 0.00 175.30 174.45 3k1d s SER 136 N -2.51 0.82 -0.03 0.23 0.01 -1.26 -0.92 113.70 110.04 3k1d s SER 136 Ca 0.01 -0.12 0.05 0.00 1.31 0.00 0.00 55.95 57.20 3k1d s SER 136 Cb 0.03 -0.29 -0.01 0.00 0.21 0.00 0.00 66.02 65.95 3k1d s SER 136 CO -0.08 -0.01 -0.16 -0.36 0.41 0.00 0.00 173.24 173.05 3k1d s PHE 137 N 0.52 1.53 -0.51 2.43 0.40 0.58 -4.95 117.98 117.97 3k1d s PHE 137 Ca -0.06 -0.36 -0.18 0.00 -0.60 0.00 0.00 56.93 55.73 3k1d s PHE 137 Cb -0.10 -1.01 0.07 0.00 0.51 0.00 0.00 43.02 42.49 3k1d s PHE 137 CO -0.00 -0.09 0.57 -0.08 0.70 0.00 0.00 175.22 176.32 3k1d s THR 138 N -0.16 4.98 0.00 0.64 -1.32 -1.26 0.77 115.64 119.30 3k1d s THR 138 Ca 0.01 -0.80 0.00 0.00 -1.21 0.00 0.00 61.69 59.69 3k1d s THR 138 Cb -0.09 -4.29 0.00 0.00 -1.51 0.00 0.00 72.50 66.62 3k1d s THR 138 CO 0.01 -0.80 0.00 0.35 -2.21 0.00 0.00 174.62 171.96 3k1d n THR 139 N 5.47 0.00 -0.10 5.08 -2.24 -0.18 -4.95 114.28 117.36 3k1d n THR 139 Ca -0.09 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.54 3k1d n THR 139 Cb 0.44 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.61 3k1d n THR 139 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k1d n ALA 140 N -3.00 0.76 1.26 6.98 0.00 -1.26 -4.32 120.51 120.93 3k1d n ALA 140 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.80 3k1d n ALA 140 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.33 3k1d n ALA 140 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3k1d n ASP 141 N -4.47 0.18 0.00 0.00 10.43 -1.26 -4.95 116.55 116.48 3k1d n ASP 141 Ca -0.24 -1.43 0.00 0.00 2.57 0.00 0.00 54.79 55.69 3k1d n ASP 141 Cb 0.54 -0.09 0.00 0.00 1.84 0.00 0.00 41.12 43.41 3k1d n ASP 141 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3k1d n GLY 142 N 0.20 0.53 3.76 0.44 0.00 -1.26 -5.05 105.19 103.80 3k1d n GLY 142 Ca 0.00 -2.19 -0.39 0.00 0.00 0.00 0.00 46.02 43.44 3k1d n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k1d s VAL 143 N -0.67 4.94 -0.14 1.61 0.11 -1.26 -1.01 120.40 123.97 3k1d s VAL 143 Ca 0.00 1.23 -0.01 0.00 -2.93 0.00 0.00 61.98 60.27 3k1d s VAL 143 Cb 0.00 -3.93 -0.01 0.00 -1.53 0.00 0.00 36.38 30.91 3k1d s VAL 143 CO 0.00 0.40 -0.12 -0.69 -3.33 0.00 0.00 175.10 171.37 3k1d s VAL 144 N -0.10 3.12 0.14 2.04 1.01 0.23 -4.95 120.40 121.90 3k1d s VAL 144 Ca 0.31 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.74 3k1d s VAL 144 Cb -0.18 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 3k1d s VAL 144 CO 0.17 0.51 -0.10 -0.44 0.00 0.00 0.00 175.10 175.24 3k1d s SER 145 N 0.48 4.30 0.00 3.32 0.01 -1.26 -0.31 113.70 120.24 3k1d s SER 145 Ca -0.08 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.69 3k1d s SER 145 Cb -0.16 -0.76 0.00 0.00 0.21 0.00 0.00 66.02 65.31 3k1d s SER 145 CO 0.04 0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.44 3k1d n GLY 146 N 0.38 -0.57 3.12 3.44 0.00 -0.10 0.91 105.19 112.37 3k1d n GLY 146 Ca -0.12 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 45.06 3k1d n GLY 146 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k1d s VAL 147 N -3.05 1.37 -0.07 1.61 1.01 -1.09 -0.14 120.40 120.04 3k1d s VAL 147 Ca 0.00 -0.69 -0.15 0.00 0.00 0.00 0.00 61.98 61.15 3k1d s VAL 147 Cb 0.00 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.15 3k1d s VAL 147 CO 0.00 0.40 0.38 -0.55 0.00 0.00 0.00 175.10 175.32 3k1d s SER 148 N 0.04 6.67 -0.02 3.32 0.15 0.21 -1.16 113.70 122.91 3k1d s SER 148 Ca -0.03 0.79 0.06 0.00 0.70 0.00 0.00 55.95 57.47 3k1d s SER 148 Cb -0.11 -2.23 -0.02 0.00 -1.71 0.00 0.00 66.02 61.95 3k1d s SER 148 CO 0.02 0.21 -0.21 -0.36 1.20 0.00 0.00 173.24 174.10 3k1d s PHE 149 N -0.37 1.91 -0.13 3.44 0.40 0.94 -1.35 117.98 122.82 3k1d s PHE 149 Ca 0.22 -0.38 -0.06 0.00 -0.60 0.00 0.00 56.93 56.11 3k1d s PHE 149 Cb -0.15 -1.23 0.06 0.00 0.51 0.00 0.00 43.02 42.20 3k1d s PHE 149 CO 0.10 -0.05 0.29 0.00 0.70 0.00 0.00 175.22 176.26 3k1d s ALA 150 N -0.45 -0.68 0.00 5.36 0.00 -0.66 -1.76 121.76 123.58 3k1d s ALA 150 Ca 0.07 1.10 0.01 0.00 0.00 0.00 0.00 51.96 53.14 3k1d s ALA 150 Cb -0.09 -0.83 -0.00 0.00 0.00 0.00 0.00 23.12 22.20 3k1d s ALA 150 CO -0.00 -0.36 -0.03 0.08 0.00 0.00 0.00 175.76 175.45 3k1d s VAL 151 N 1.67 0.23 -0.23 0.00 1.01 -0.39 -1.44 120.40 121.25 3k1d s VAL 151 Ca -0.06 -0.23 -0.20 0.00 0.00 0.00 0.00 61.98 61.48 3k1d s VAL 151 Cb -0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 36.38 36.03 3k1d s VAL 151 CO -0.09 -0.01 0.61 0.86 0.00 0.00 0.00 175.10 176.47 3k1d s TRP 152 N -0.24 3.32 -0.45 5.22 -0.00 -1.26 0.37 118.94 125.89 3k1d s TRP 152 Ca -0.01 0.83 0.03 0.00 -0.00 0.00 0.00 56.10 56.96 3k1d s TRP 152 Cb -0.02 -2.81 0.23 0.00 -0.00 0.00 0.00 33.47 30.88 3k1d s TRP 152 CO -0.00 -0.26 0.94 0.00 -0.00 0.00 0.00 176.95 177.63 3k1d n ALA 153 N 5.43 -2.16 -0.26 5.86 0.00 0.83 -4.93 120.51 125.28 3k1d n ALA 153 Ca -0.01 -0.98 0.07 0.00 0.00 0.00 0.00 53.44 52.52 3k1d n ALA 153 Cb 0.49 -1.92 0.20 0.00 0.00 0.00 0.00 19.45 18.22 3k1d n ALA 153 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3k1d h PRO 154 N 4.06 0.21 -0.27 0.00 0.11 -1.85 -2.74 132.00 131.53 3k1d h PRO 154 Ca -0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.99 3k1d h PRO 154 Cb 1.09 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3k1d h PRO 154 CO 0.12 0.14 0.00 0.09 -0.21 0.00 0.00 178.00 178.14 3k1d n ASN 155 N -5.21 2.56 -4.77 -2.05 3.02 -1.26 -4.86 115.26 102.68 3k1d n ASN 155 Ca 0.15 -1.86 -0.37 0.00 -0.03 0.00 0.00 54.58 52.48 3k1d n ASN 155 Cb 0.51 -0.17 -0.01 0.00 -0.61 0.00 0.00 39.78 39.49 3k1d n ASN 155 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k1d s ALA 156 N -1.66 2.95 -0.77 5.41 0.00 -1.03 -3.21 121.76 123.44 3k1d s ALA 156 Ca 0.35 0.89 0.25 0.00 0.00 0.00 0.00 51.96 53.45 3k1d s ALA 156 Cb 0.20 -3.37 0.60 0.00 0.00 0.00 0.00 23.12 20.55 3k1d s ALA 156 CO 0.29 -0.62 1.52 1.63 0.00 0.00 0.00 175.76 178.58 3k1d n LYS 157 N -0.56 0.20 0.00 0.00 4.76 0.95 -4.89 118.16 118.61 3k1d n LYS 157 Ca 0.08 0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 3k1d n LYS 157 Cb 0.49 -1.66 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 3k1d n LYS 157 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3k1d n GLY 158 N 1.38 1.47 2.85 0.72 0.00 -1.21 -3.94 105.19 106.46 3k1d n GLY 158 Ca 0.05 -0.41 -0.19 0.00 0.00 0.00 0.00 46.02 45.46 3k1d n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k1d s VAL 159 N -2.00 0.40 0.10 1.61 1.01 -1.26 -0.76 120.40 119.50 3k1d s VAL 159 Ca 0.00 -0.02 0.10 0.00 0.00 0.00 0.00 61.98 62.06 3k1d s VAL 159 Cb 0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 3k1d s VAL 159 CO 0.00 0.20 -0.26 -0.44 0.00 0.00 0.00 175.10 174.60 3k1d s SER 160 N 1.09 3.31 -0.14 3.32 0.01 -0.30 0.35 113.70 121.34 3k1d s SER 160 Ca -0.09 -0.69 -0.21 0.00 1.31 0.00 0.00 55.95 56.28 3k1d s SER 160 Cb -0.14 -0.26 -0.03 0.00 0.21 0.00 0.00 66.02 65.80 3k1d s SER 160 CO -0.01 0.20 0.60 -0.22 0.41 0.00 0.00 173.24 174.23 3k1d s LEU 161 N -1.81 4.22 0.10 2.44 2.96 0.32 -0.17 118.68 126.75 3k1d s LEU 161 Ca 0.14 0.91 0.06 0.00 -0.22 0.00 0.00 54.13 55.02 3k1d s LEU 161 Cb -0.10 -2.88 -0.03 0.00 0.50 0.00 0.00 46.19 43.68 3k1d s LEU 161 CO 0.05 -0.15 -0.16 0.27 -1.32 0.00 0.00 176.35 175.03 3k1d s ILE 162 N 1.26 1.37 0.00 6.68 -4.36 -0.80 -4.58 121.20 120.77 3k1d s ILE 162 Ca 0.30 -1.51 0.00 0.00 -0.26 0.00 0.00 60.65 59.18 3k1d s ILE 162 Cb -0.16 -1.36 0.00 0.00 1.25 0.00 0.00 42.46 42.18 3k1d s ILE 162 CO 0.12 -0.24 0.00 0.61 0.24 0.00 0.00 174.94 175.67 3k1d n GLY 163 N 0.97 1.09 0.37 6.27 0.00 -1.26 -1.21 105.19 111.41 3k1d n GLY 163 Ca -0.19 -0.74 0.08 0.00 0.00 0.00 0.00 46.02 45.18 3k1d n GLY 163 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3k1d h GLU 164 N 0.00 0.83 0.00 1.61 4.22 -1.96 0.89 114.58 120.17 3k1d h GLU 164 Ca 0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.38 3k1d h GLU 164 Cb 0.00 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.06 3k1d h GLU 164 CO 0.00 0.55 -0.04 0.27 -2.18 0.00 0.00 179.01 177.61 3k1d h PHE 165 N 0.85 0.00 -0.01 0.92 -0.00 -1.95 -2.60 116.94 114.16 3k1d h PHE 165 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.41 3k1d h PHE 165 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.45 3k1d h PHE 165 CO -0.00 0.04 -0.22 0.09 -0.00 0.00 0.00 178.31 178.22 3k1d n ASN 166 N -3.26 1.86 -0.88 -0.68 5.03 -0.34 -4.94 115.26 112.04 3k1d n ASN 166 Ca -0.01 -1.43 -0.08 0.00 0.87 0.00 0.00 54.58 53.93 3k1d n ASN 166 Cb 0.21 0.32 -0.01 0.00 -1.02 0.00 0.00 39.78 39.28 3k1d n ASN 166 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3k1d n GLY 167 N 1.07 0.18 2.37 7.41 0.00 -0.72 -2.71 105.19 112.79 3k1d n GLY 167 Ca 0.08 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 3k1d n GLY 167 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3k1d n TRP 168 N -3.82 -1.30 -1.95 1.61 7.02 0.16 -4.68 117.44 114.49 3k1d n TRP 168 Ca -0.09 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.39 3k1d n TRP 168 Cb 0.53 -2.63 0.00 0.00 -2.42 0.00 0.00 31.31 26.78 3k1d n TRP 168 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 3k1d n ASN 169 N -1.58 0.00 -4.66 -0.99 5.15 -1.13 -4.87 115.26 107.18 3k1d n ASN 169 Ca -0.14 -1.19 -0.29 0.00 -0.60 0.00 0.00 54.58 52.36 3k1d n ASN 169 Cb 0.57 -0.04 0.17 0.00 -0.53 0.00 0.00 39.78 39.96 3k1d n ASN 169 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3k1d s GLY 170 N -0.19 1.59 0.00 8.20 0.00 -1.10 -4.99 107.32 110.82 3k1d s GLY 170 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.59 3k1d s GLY 170 CO 0.00 0.43 0.00 1.42 0.00 0.00 0.00 173.10 174.95 3k1d n HIS 171 N -4.17 0.00 1.48 1.90 8.25 -1.26 -4.80 115.22 116.61 3k1d n HIS 171 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 3k1d n HIS 171 Cb 0.56 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.67 3k1d n HIS 171 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 3k1d n GLU 172 N -0.40 0.89 -2.71 -0.41 -0.00 -1.26 -3.92 120.64 112.83 3k1d n GLU 172 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.16 56.97 3k1d n GLU 172 Cb 0.00 -1.15 0.00 0.00 -0.00 0.00 0.00 31.44 30.29 3k1d n GLU 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3k1d n ALA 173 N -0.32 3.99 -1.79 -1.84 0.00 -1.26 -4.90 120.51 114.40 3k1d n ALA 173 Ca 0.00 -3.82 -0.35 0.00 0.00 0.00 0.00 53.44 49.27 3k1d n ALA 173 Cb 0.07 -0.77 -0.02 0.00 0.00 0.00 0.00 19.45 18.73 3k1d n ALA 173 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3k1d s PRO 174 N -3.22 3.74 0.33 0.00 0.02 -1.25 -0.52 135.00 134.09 3k1d s PRO 174 Ca 0.39 1.48 0.07 0.00 0.02 0.00 0.00 61.00 62.97 3k1d s PRO 174 Cb 0.40 -2.16 -0.02 0.00 0.02 0.00 0.00 34.50 32.74 3k1d s PRO 174 CO -0.09 -0.51 0.33 -1.64 -0.33 0.00 0.00 177.00 174.77 3k1d s MET 175 N -3.10 2.84 0.09 5.54 -1.94 0.16 -4.86 119.30 118.04 3k1d s MET 175 Ca 0.67 -1.20 0.08 0.00 -1.71 0.00 0.00 55.69 53.52 3k1d s MET 175 Cb -0.20 -2.57 -0.04 0.00 2.01 0.00 0.00 34.83 34.03 3k1d s MET 175 CO 0.24 0.11 -0.15 -0.98 -0.01 0.00 0.00 175.02 174.23 3k1d s ARG 176 N -4.03 1.99 -0.01 2.03 1.70 -0.86 -4.42 118.95 115.35 3k1d s ARG 176 Ca 0.41 -1.07 -0.16 0.00 -0.47 0.00 0.00 55.73 54.44 3k1d s ARG 176 Cb -0.07 -2.21 -0.06 0.00 -0.57 0.00 0.00 34.95 32.04 3k1d s ARG 176 CO 0.28 0.51 0.45 0.54 -1.08 0.00 0.00 175.30 175.99 3k1d s VAL 177 N -1.13 5.01 -0.99 4.99 0.11 -0.59 0.06 120.40 127.86 3k1d s VAL 177 Ca 0.19 0.93 -0.18 0.00 -2.93 0.00 0.00 61.98 59.99 3k1d s VAL 177 Cb -0.11 -3.77 0.13 0.00 -1.53 0.00 0.00 36.38 31.10 3k1d s VAL 177 CO 0.10 0.52 1.22 -0.76 -3.33 0.00 0.00 175.10 172.86 3k1d s LEU 178 N -0.71 4.86 0.00 2.54 1.43 0.07 -4.92 118.68 121.95 3k1d s LEU 178 Ca 0.25 -2.13 0.00 0.00 -1.03 0.00 0.00 54.13 51.22 3k1d s LEU 178 Cb -0.17 -2.42 0.00 0.00 0.03 0.00 0.00 46.19 43.63 3k1d s LEU 178 CO 0.14 -1.06 0.00 0.61 0.23 0.00 0.00 176.35 176.26 3k1d n GLY 179 N 5.43 0.92 0.18 -3.19 0.00 -1.26 -2.73 105.19 104.54 3k1d n GLY 179 Ca 0.27 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3k1d n GLY 179 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3k1d n PRO 180 N 0.00 0.88 0.16 1.61 -0.02 -1.26 -3.88 135.00 132.49 3k1d n PRO 180 Ca 0.00 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.50 3k1d n PRO 180 Cb 0.00 -1.16 0.26 0.00 -0.02 0.00 0.00 33.50 32.58 3k1d n PRO 180 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3k1d h SER 181 N 0.04 0.00 0.00 2.55 4.64 -1.92 -3.47 113.55 115.40 3k1d h SER 181 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3k1d h SER 181 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3k1d h SER 181 CO 0.00 0.49 0.00 0.61 -0.87 0.00 0.00 176.83 177.06 3k1d n GLY 182 N 0.20 0.85 3.65 -0.77 0.00 -1.25 -4.84 105.19 103.03 3k1d n GLY 182 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 3k1d n GLY 182 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k1d s VAL 183 N -3.33 5.20 0.02 1.61 1.01 -1.26 -0.12 120.40 123.53 3k1d s VAL 183 Ca 0.00 0.65 -0.15 0.00 0.00 0.00 0.00 61.98 62.47 3k1d s VAL 183 Cb 0.00 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 3k1d s VAL 183 CO 0.00 0.23 0.44 0.26 0.00 0.00 0.00 175.10 176.03 3k1d s TRP 184 N 1.52 3.73 0.09 5.22 0.52 0.16 -0.75 118.94 129.43 3k1d s TRP 184 Ca 0.17 1.03 0.02 0.00 0.02 0.00 0.00 56.10 57.34 3k1d s TRP 184 Cb -0.15 -2.32 -0.04 0.00 -1.15 0.00 0.00 33.47 29.81 3k1d s TRP 184 CO 0.08 0.62 -0.07 -2.00 0.02 0.00 0.00 176.95 175.60 3k1d s GLU 185 N -1.18 0.79 -0.29 4.98 -6.30 0.11 -1.26 118.70 115.55 3k1d s GLU 185 Ca 0.26 -1.26 -0.23 0.00 -2.50 0.00 0.00 54.97 51.24 3k1d s GLU 185 Cb -0.17 -0.22 0.18 0.00 0.00 0.00 0.00 34.13 33.92 3k1d s GLU 185 CO 0.15 -0.01 1.30 -1.17 0.02 0.00 0.00 175.26 175.55 3k1d s LEU 186 N -2.84 -0.17 -0.22 2.70 2.96 -0.72 -2.03 118.68 118.36 3k1d s LEU 186 Ca 0.09 0.30 -0.02 0.00 -0.22 0.00 0.00 54.13 54.28 3k1d s LEU 186 Cb 0.03 1.30 0.01 0.00 0.50 0.00 0.00 46.19 48.03 3k1d s LEU 186 CO -0.04 -0.05 -0.09 0.12 -1.32 0.00 0.00 176.35 174.97 3k1d s PHE 187 N 0.33 2.95 -0.46 5.38 5.36 -1.26 -0.04 117.98 130.25 3k1d s PHE 187 Ca 0.03 -1.33 -0.11 0.00 -0.96 0.00 0.00 56.93 54.56 3k1d s PHE 187 Cb -0.04 -2.04 0.10 0.00 -0.34 0.00 0.00 43.02 40.69 3k1d s PHE 187 CO -0.13 -0.68 0.33 -0.46 -1.46 0.00 0.00 175.22 172.83 3k1d s TRP 188 N 1.38 3.35 0.17 10.12 -0.11 -0.31 -4.56 118.94 128.98 3k1d s TRP 188 Ca 0.04 -1.54 -0.33 0.00 1.22 0.00 0.00 56.10 55.49 3k1d s TRP 188 Cb -0.15 -3.25 -0.15 0.00 -1.50 0.00 0.00 33.47 28.42 3k1d s TRP 188 CO -0.06 -0.91 1.28 -2.30 -4.62 0.00 0.00 176.95 170.34 3k1d n PRO 189 N 4.99 1.45 -2.23 5.86 -0.02 -1.26 -2.30 135.00 141.48 3k1d n PRO 189 Ca -0.10 0.52 -0.21 0.00 -2.02 0.00 0.00 63.50 61.69 3k1d n PRO 189 Cb 0.42 -2.10 -0.03 0.00 -0.02 0.00 0.00 33.50 31.78 3k1d n PRO 189 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3k1d n ASP 190 N 2.23 -5.78 -4.76 2.55 8.00 0.26 -4.91 116.55 114.14 3k1d n ASP 190 Ca 0.15 0.10 -0.40 0.00 0.71 0.00 0.00 54.79 55.35 3k1d n ASP 190 Cb 0.26 -4.87 -0.04 0.00 -0.02 0.00 0.00 41.12 36.44 3k1d n ASP 190 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3k1d s PHE 191 N -2.97 3.47 0.23 1.24 5.36 -0.97 -4.94 117.98 119.39 3k1d s PHE 191 Ca 0.00 1.65 -0.31 0.00 -0.96 0.00 0.00 56.93 57.31 3k1d s PHE 191 Cb 0.00 -3.34 -0.15 0.00 -0.34 0.00 0.00 43.02 39.19 3k1d s PHE 191 CO 0.00 -0.77 1.17 -2.30 -1.46 0.00 0.00 175.22 171.85 3k1d n PRO 192 N 1.05 1.43 0.21 10.12 -0.02 -1.26 -4.49 135.00 142.04 3k1d n PRO 192 Ca -0.01 0.51 0.14 0.00 -2.02 0.00 0.00 63.50 62.13 3k1d n PRO 192 Cb 0.44 -2.00 0.78 0.00 -0.02 0.00 0.00 33.50 32.70 3k1d n PRO 192 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k1d n ASP 194 N -4.11 2.51 -4.82 0.00 5.68 -1.26 -4.42 116.55 110.13 3k1d n ASP 194 Ca 0.00 -2.58 -0.33 0.00 -0.50 0.00 0.00 54.79 51.38 3k1d n ASP 194 Cb 0.24 -0.43 -0.03 0.00 -1.14 0.00 0.00 41.12 39.76 3k1d n ASP 194 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3k1d s GLY 195 N -3.61 2.21 0.46 6.12 0.00 -1.03 -4.58 107.32 106.88 3k1d s GLY 195 Ca 0.35 0.34 -0.12 0.00 0.00 0.00 0.00 44.72 45.29 3k1d s GLY 195 CO -0.03 0.64 0.85 1.08 0.00 0.00 0.00 173.10 175.65 3k1d s LEU 196 N -3.95 3.71 0.06 0.66 1.43 -1.26 -1.66 118.68 117.67 3k1d s LEU 196 Ca 0.62 1.27 -0.28 0.00 -1.03 0.00 0.00 54.13 54.71 3k1d s LEU 196 Cb -0.13 -4.18 0.09 0.00 0.03 0.00 0.00 46.19 42.00 3k1d s LEU 196 CO 0.28 -0.50 1.02 -0.72 0.23 0.00 0.00 176.35 176.67 3k1d s TYR 197 N -2.53 -0.16 0.17 0.29 -0.85 -0.24 -4.16 117.35 109.87 3k1d s TYR 197 Ca 0.53 -0.05 -0.13 0.00 -0.52 0.00 0.00 57.07 56.91 3k1d s TYR 197 Cb -0.10 0.59 0.01 0.00 0.38 0.00 0.00 41.96 42.84 3k1d s TYR 197 CO 0.34 -0.61 0.39 0.15 -1.52 0.00 0.00 175.55 174.29 3k1d s LYS 198 N -3.02 1.23 -0.27 -3.49 1.02 -0.35 -1.77 119.74 113.08 3k1d s LYS 198 Ca 0.11 -1.00 -0.05 0.00 0.02 0.00 0.00 55.97 55.05 3k1d s LYS 198 Cb -0.00 0.44 0.01 0.00 -0.52 0.00 0.00 37.83 37.76 3k1d s LYS 198 CO -0.02 -0.48 0.04 -0.06 -0.92 0.00 0.00 175.35 173.90 3k1d s PHE 199 N -3.91 3.11 -0.40 3.18 0.08 0.11 -1.90 117.98 118.25 3k1d s PHE 199 Ca 0.12 -1.06 -0.27 0.00 0.12 0.00 0.00 56.93 55.83 3k1d s PHE 199 Cb 0.01 -2.19 0.02 0.00 -0.57 0.00 0.00 43.02 40.29 3k1d s PHE 199 CO -0.03 -0.59 1.01 0.50 -0.10 0.00 0.00 175.22 176.01 3k1d s ARG 200 N 1.47 3.81 -0.21 0.44 3.52 0.76 -0.90 118.95 127.84 3k1d s ARG 200 Ca 0.03 0.61 -0.07 0.00 -0.13 0.00 0.00 55.73 56.16 3k1d s ARG 200 Cb -0.17 -3.84 -0.04 0.00 -1.56 0.00 0.00 34.95 29.35 3k1d s ARG 200 CO 0.00 -1.10 0.06 0.08 -0.81 0.00 0.00 175.30 173.54 3k1d s VAL 201 N 3.82 4.57 -0.56 7.11 1.01 0.13 -1.15 120.40 135.34 3k1d s VAL 201 Ca 0.42 -0.10 -0.18 0.00 0.00 0.00 0.00 61.98 62.12 3k1d s VAL 201 Cb -0.10 -3.09 0.09 0.00 0.00 0.00 0.00 36.38 33.28 3k1d s VAL 201 CO 0.23 0.41 0.64 -1.00 0.00 0.00 0.00 175.10 175.38 3k1d s HIS 202 N 0.85 3.06 0.94 5.22 3.76 0.06 -0.52 115.29 128.66 3k1d s HIS 202 Ca 0.03 -0.91 -0.11 0.00 -0.15 0.00 0.00 55.06 53.93 3k1d s HIS 202 Cb -0.14 -3.82 0.16 0.00 1.11 0.00 0.00 32.58 29.89 3k1d s HIS 202 CO 0.02 -1.16 1.10 0.20 -0.85 0.00 0.00 174.74 174.05 3k1d s GLY 203 N 3.34 1.63 0.12 -2.22 0.00 -0.51 -0.04 107.32 109.64 3k1d s GLY 203 Ca 0.11 0.19 0.16 0.00 0.00 0.00 0.00 44.72 45.17 3k1d s GLY 203 CO 0.07 0.68 1.49 0.00 0.00 0.00 0.00 173.10 175.35 3k1d n ALA 204 N -4.17 1.49 -0.57 3.20 0.00 0.06 -1.49 120.51 119.04 3k1d n ALA 204 Ca 0.08 0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.64 3k1d n ALA 204 Cb 0.54 -1.26 0.32 0.00 0.00 0.00 0.00 19.45 19.05 3k1d n ALA 204 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3k1d n ASP 205 N -1.82 4.39 0.00 0.00 5.75 -1.26 -4.94 116.55 118.66 3k1d n ASP 205 Ca 0.02 -2.37 0.00 0.00 -0.01 0.00 0.00 54.79 52.43 3k1d n ASP 205 Cb 0.15 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.71 3k1d n ASP 205 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3k1d n GLY 206 N 1.01 1.37 3.68 6.12 0.00 -0.56 -5.00 105.19 111.82 3k1d n GLY 206 Ca 0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 3k1d n GLY 206 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k1d s VAL 207 N -3.24 5.09 -0.05 1.61 1.01 -1.26 -4.81 120.40 118.74 3k1d s VAL 207 Ca 0.00 1.10 -0.19 0.00 0.00 0.00 0.00 61.98 62.90 3k1d s VAL 207 Cb 0.00 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 3k1d s VAL 207 CO 0.00 0.20 0.52 -0.69 0.00 0.00 0.00 175.10 175.13 3k1d s VAL 208 N 1.38 5.05 -0.00 2.92 1.01 -1.26 -1.43 120.40 128.07 3k1d s VAL 208 Ca 0.28 1.06 0.01 0.00 0.00 0.00 0.00 61.98 63.33 3k1d s VAL 208 Cb -0.16 -3.85 -0.00 0.00 0.00 0.00 0.00 36.38 32.37 3k1d s VAL 208 CO 0.11 0.40 -0.02 0.42 0.00 0.00 0.00 175.10 176.01 3k1d s THR 209 N 0.02 0.16 -0.36 3.92 -4.23 0.32 -4.97 115.64 110.50 3k1d s THR 209 Ca 0.28 -0.13 -0.18 0.00 -1.18 0.00 0.00 61.69 60.48 3k1d s THR 209 Cb -0.17 -0.15 -0.00 0.00 1.34 0.00 0.00 72.50 73.52 3k1d s THR 209 CO 0.14 0.02 0.51 -1.81 -0.54 0.00 0.00 174.62 172.93 3k1d s ASP 210 N -0.12 6.30 -0.03 3.99 1.01 -1.26 0.21 116.67 126.78 3k1d s ASP 210 Ca 0.00 -0.09 0.02 0.00 0.71 0.00 0.00 52.55 53.19 3k1d s ASP 210 Cb -0.01 -2.26 -0.03 0.00 1.01 0.00 0.00 42.92 41.62 3k1d s ASP 210 CO -0.00 -0.49 -0.04 -0.13 0.21 0.00 0.00 175.17 174.72 3k1d s ARG 211 N 2.38 2.71 0.68 8.23 1.81 -0.08 -4.60 118.95 130.08 3k1d s ARG 211 Ca 0.18 -0.61 -0.12 0.00 -1.72 0.00 0.00 55.73 53.46 3k1d s ARG 211 Cb -0.16 -2.60 0.00 0.00 -0.45 0.00 0.00 34.95 31.75 3k1d s ARG 211 CO 0.13 0.64 1.06 0.00 -0.68 0.00 0.00 175.30 176.45 3k1d s ALA 212 N -0.96 2.66 -0.11 2.13 0.00 -0.59 -0.71 121.76 124.18 3k1d s ALA 212 Ca 0.16 0.16 -0.30 0.00 0.00 0.00 0.00 51.96 51.99 3k1d s ALA 212 Cb -0.11 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.80 3k1d s ALA 212 CO 0.06 -1.19 1.14 0.34 0.00 0.00 0.00 175.76 176.11 3k1d s ASP 213 N -3.56 7.09 0.53 0.00 -1.08 -1.26 -4.79 116.67 113.60 3k1d s ASP 213 Ca 0.59 1.66 0.23 0.00 -0.52 0.00 0.00 52.55 54.51 3k1d s ASP 213 Cb -0.15 -2.55 1.38 0.00 -1.46 0.00 0.00 42.92 40.14 3k1d s ASP 213 CO 0.52 -0.60 2.06 -0.65 0.52 0.00 0.00 175.17 177.02 3k1d h PRO 214 N 7.51 0.00 -0.64 4.34 0.11 -1.92 -0.21 132.00 141.19 3k1d h PRO 214 Ca -0.30 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.59 3k1d h PRO 214 Cb 1.13 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.11 3k1d h PRO 214 CO 0.91 0.00 0.23 1.19 -0.21 0.00 0.00 178.00 180.11 3k1d n PHE 215 N -4.37 2.10 -1.69 0.65 3.72 -1.26 -4.45 117.46 112.16 3k1d n PHE 215 Ca 0.05 -1.31 -0.44 0.00 -0.05 0.00 0.00 57.45 55.69 3k1d n PHE 215 Cb 0.40 -0.64 -0.04 0.00 -0.94 0.00 0.00 39.48 38.27 3k1d n PHE 215 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3k1d n ALA 216 N -0.51 2.09 0.93 4.37 0.00 -0.09 -4.65 120.51 122.64 3k1d n ALA 216 Ca 0.40 0.42 0.10 0.00 0.00 0.00 0.00 53.44 54.35 3k1d n ALA 216 Cb 1.30 -2.44 -0.12 0.00 0.00 0.00 0.00 19.45 18.18 3k1d n ALA 216 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3k1d n PHE 217 N 3.81 0.00 -3.90 0.00 3.72 -1.26 -3.28 117.46 116.56 3k1d n PHE 217 Ca 0.17 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.47 3k1d n PHE 217 Cb 0.32 -0.03 -0.09 0.00 -0.94 0.00 0.00 39.48 38.74 3k1d n PHE 217 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3k1d s GLY 218 N -3.06 0.12 0.13 1.37 0.00 -1.20 -4.60 107.32 100.08 3k1d s GLY 218 Ca 0.07 -0.48 -0.08 0.00 0.00 0.00 0.00 44.72 44.24 3k1d s GLY 218 CO 0.86 -0.63 0.22 -0.51 0.00 0.00 0.00 173.10 173.04 3k1d s THR 219 N -2.75 0.10 0.51 0.90 -4.23 -1.26 -1.36 115.64 107.55 3k1d s THR 219 Ca -0.04 -1.38 -0.18 0.00 -1.18 0.00 0.00 61.69 58.92 3k1d s THR 219 Cb -0.00 -1.67 -0.08 0.00 1.34 0.00 0.00 72.50 72.09 3k1d s THR 219 CO -0.05 -0.46 1.00 -0.70 -0.54 0.00 0.00 174.62 173.87 3k1d s GLU 220 N -3.94 3.84 0.12 3.99 2.12 0.02 -4.76 118.70 120.10 3k1d s GLU 220 Ca 0.13 1.08 -0.31 0.00 0.36 0.00 0.00 54.97 56.24 3k1d s GLU 220 Cb 0.04 -2.12 -0.07 0.00 0.26 0.00 0.00 34.13 32.24 3k1d s GLU 220 CO -0.04 -0.37 1.29 0.08 -0.54 0.00 0.00 175.26 175.68 3k1d s VAL 221 N -2.44 3.55 0.68 3.70 1.01 -1.26 -4.76 120.40 120.88 3k1d s VAL 221 Ca 0.61 1.17 -0.17 0.00 0.00 0.00 0.00 61.98 63.59 3k1d s VAL 221 Cb -0.12 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 3k1d s VAL 221 CO 0.28 0.12 0.95 -2.65 0.00 0.00 0.00 175.10 173.80 3k1d n PRO 222 N 3.49 0.64 0.00 2.72 -0.02 -1.26 -1.23 135.00 139.34 3k1d n PRO 222 Ca 0.09 0.27 0.08 0.00 -2.02 0.00 0.00 63.50 61.92 3k1d n PRO 222 Cb 0.44 -2.19 0.41 0.00 -0.02 0.00 0.00 33.50 32.14 3k1d n PRO 222 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3k1d n PRO 223 N -1.49 0.22 -1.12 0.52 -0.02 -1.26 -5.07 135.00 126.77 3k1d n PRO 223 Ca 0.13 0.14 -0.34 0.00 -2.02 0.00 0.00 63.50 61.41 3k1d n PRO 223 Cb 0.49 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 32.59 3k1d n PRO 223 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3k1d n GLN 224 N -1.30 0.20 0.00 -0.52 1.13 -0.37 -4.97 117.38 111.56 3k1d n GLN 224 Ca 0.08 0.14 0.00 0.00 -1.94 0.00 0.00 57.00 55.28 3k1d n GLN 224 Cb 0.13 -2.37 0.00 0.00 0.11 0.00 0.00 30.24 28.11 3k1d n GLN 224 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3k1d n THR 225 N -3.20 0.43 -2.13 5.09 -2.24 -1.26 -4.65 114.28 106.32 3k1d n THR 225 Ca 0.13 -0.51 -0.32 0.00 -2.27 0.00 0.00 64.05 61.09 3k1d n THR 225 Cb 0.50 0.90 -0.01 0.00 -2.10 0.00 0.00 70.33 69.62 3k1d n THR 225 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k1d s ALA 226 N -0.43 3.07 0.36 6.98 0.00 -1.26 -4.55 121.76 125.92 3k1d s ALA 226 Ca 0.00 0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.03 3k1d s ALA 226 Cb 0.00 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 19.99 3k1d s ALA 226 CO 0.00 -0.48 0.56 -1.12 0.00 0.00 0.00 175.76 174.72 3k1d s SER 227 N -3.59 6.21 -0.05 0.00 0.01 -0.73 -0.80 113.70 114.75 3k1d s SER 227 Ca 0.57 0.39 0.01 0.00 1.31 0.00 0.00 55.95 58.24 3k1d s SER 227 Cb -0.11 -1.92 0.02 0.00 0.21 0.00 0.00 66.02 64.22 3k1d s SER 227 CO 0.42 -0.35 -0.07 -0.60 0.41 0.00 0.00 173.24 173.05 3k1d s ARG 228 N -4.34 1.06 0.20 12.44 3.52 -0.46 -1.08 118.95 130.29 3k1d s ARG 228 Ca 0.41 -0.19 -0.32 0.00 -0.13 0.00 0.00 55.73 55.50 3k1d s ARG 228 Cb -0.10 -0.99 -0.13 0.00 -1.56 0.00 0.00 34.95 32.18 3k1d s ARG 228 CO 0.36 -0.05 1.63 0.28 -0.81 0.00 0.00 175.30 176.71 3k1d n VAL 229 N 3.98 0.17 -3.68 7.11 0.31 -0.66 -3.27 118.33 122.28 3k1d n VAL 229 Ca -0.24 -0.04 -0.16 0.00 -0.01 0.00 0.00 64.34 63.88 3k1d n VAL 229 Cb 0.51 -1.77 -0.15 0.00 -0.91 0.00 0.00 33.84 31.51 3k1d n VAL 229 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3k1d s THR 230 N 0.87 -0.22 -0.07 2.52 2.01 -1.26 -4.28 115.64 115.21 3k1d s THR 230 Ca 0.75 0.32 0.03 0.00 0.31 0.00 0.00 61.69 63.09 3k1d s THR 230 Cb -0.58 -0.29 0.01 0.00 0.01 0.00 0.00 72.50 71.65 3k1d s THR 230 CO 0.37 0.13 -0.16 -0.94 -0.69 0.00 0.00 174.62 173.34 3k1d s SER 231 N 2.05 2.12 0.07 3.53 1.04 -1.26 -4.88 113.70 116.36 3k1d s SER 231 Ca 0.00 -0.36 0.04 0.00 0.48 0.00 0.00 55.95 56.11 3k1d s SER 231 Cb -0.12 -0.91 -0.04 0.00 0.10 0.00 0.00 66.02 65.06 3k1d s SER 231 CO -0.06 0.08 -0.00 -0.55 0.98 0.00 0.00 173.24 173.69 3k1d s SER 232 N 0.48 5.01 0.00 7.02 0.15 -1.26 -4.98 113.70 120.13 3k1d s SER 232 Ca -0.14 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.36 3k1d s SER 232 Cb -0.15 -1.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.95 3k1d s SER 232 CO 0.05 0.20 0.94 -0.90 1.20 0.00 0.00 173.24 174.72 3k1d n ASP 233 N 0.74 0.00 -4.57 5.45 5.75 -1.26 -5.12 116.55 117.54 3k1d n ASP 233 Ca -0.12 -1.89 -0.45 0.00 -0.01 0.00 0.00 54.79 52.33 3k1d n ASP 233 Cb 0.52 -0.18 -0.02 0.00 -1.03 0.00 0.00 41.12 40.41 3k1d n ASP 233 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k1d n TYR 234 N 0.00 1.13 -3.63 2.11 9.36 -1.26 -4.96 117.16 119.90 3k1d n TYR 234 Ca 0.00 0.72 -0.40 0.00 3.32 0.00 0.00 57.90 61.55 3k1d n TYR 234 Cb 0.68 -2.23 -0.11 0.00 -0.63 0.00 0.00 39.34 37.04 3k1d n TYR 234 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 3k1d s THR 235 N -0.93 4.44 0.38 2.97 2.01 -1.26 -5.08 115.64 118.18 3k1d s THR 235 Ca 0.61 -0.83 -0.25 0.00 0.31 0.00 0.00 61.69 61.53 3k1d s THR 235 Cb -0.74 -3.45 -0.09 0.00 0.01 0.00 0.00 72.50 68.23 3k1d s THR 235 CO 0.58 -0.17 1.05 0.26 -0.69 0.00 0.00 174.62 175.65 3k1d s TRP 236 N 1.54 3.32 -0.19 4.92 0.52 -1.26 -4.97 118.94 122.82 3k1d s TRP 236 Ca 0.02 1.66 0.17 0.00 0.02 0.00 0.00 56.10 57.96 3k1d s TRP 236 Cb -0.19 -3.12 0.44 0.00 -1.15 0.00 0.00 33.47 29.45 3k1d s TRP 236 CO 0.06 -0.56 1.32 0.41 0.02 0.00 0.00 176.95 178.21 3k1d n GLY 237 N 0.42 4.22 1.71 0.98 0.00 -1.26 -4.68 105.19 106.58 3k1d n GLY 237 Ca 0.04 -1.02 -0.17 0.00 0.00 0.00 0.00 46.02 44.87 3k1d n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k1d n ASP 238 N -0.75 4.03 -0.25 1.61 5.75 -1.26 -4.74 116.55 120.94 3k1d n ASP 238 Ca 0.19 -3.76 -0.02 0.00 -0.01 0.00 0.00 54.79 51.19 3k1d n ASP 238 Cb 0.78 -0.69 0.10 0.00 -1.03 0.00 0.00 41.12 40.28 3k1d n ASP 238 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3k1d h ASP 239 N 1.38 0.67 -0.34 -1.12 3.32 -2.00 -1.46 116.42 116.87 3k1d h ASP 239 Ca 0.39 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.44 3k1d h ASP 239 Cb 1.70 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 41.11 3k1d h ASP 239 CO 0.79 0.44 0.16 0.44 -1.72 0.00 0.00 179.24 179.36 3k1d h ASP 240 N 0.80 0.45 -0.29 6.45 3.32 -1.99 -0.80 116.42 124.36 3k1d h ASP 240 Ca 0.30 -0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.23 3k1d h ASP 240 Cb 0.11 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3k1d h ASP 240 CO -0.15 0.46 0.17 -0.25 -1.72 0.00 0.00 179.24 177.75 3k1d h TRP 241 N 0.41 0.32 -0.78 4.55 2.91 -1.80 -0.92 115.95 120.65 3k1d h TRP 241 Ca 0.12 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 60.12 3k1d h TRP 241 Cb 0.13 -0.11 -0.04 0.00 -0.51 0.00 0.00 29.16 28.64 3k1d h TRP 241 CO -0.01 0.20 0.38 0.52 -1.03 0.00 0.00 178.44 178.50 3k1d h MET 242 N 0.35 1.11 -0.08 2.65 2.86 -1.03 -0.35 114.93 120.45 3k1d h MET 242 Ca 0.11 -0.15 -0.16 0.00 -2.06 0.00 0.00 59.70 57.44 3k1d h MET 242 Cb -0.01 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.43 3k1d h MET 242 CO -0.04 0.85 -0.63 0.00 1.06 0.00 0.00 176.91 178.14 3k1d h ALA 243 N 1.31 0.78 -0.25 6.32 0.00 -0.96 -3.16 119.26 123.30 3k1d h ALA 243 Ca 0.27 -0.56 -0.19 0.00 0.00 0.00 0.00 54.91 54.43 3k1d h ALA 243 Cb 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3k1d h ALA 243 CO -0.04 0.74 -0.60 0.78 0.00 0.00 0.00 179.25 180.13 3k1d h GLY 244 N 1.43 0.92 0.83 0.00 0.00 -0.71 -3.23 103.07 102.32 3k1d h GLY 244 Ca -0.01 -1.13 0.07 0.00 0.00 0.00 0.00 47.33 46.26 3k1d h GLY 244 CO 0.10 1.01 0.58 -0.09 0.00 0.00 0.00 176.54 178.14 3k1d h ARG 245 N 0.63 0.94 0.00 4.80 2.43 -1.05 -1.61 114.38 120.53 3k1d h ARG 245 Ca -0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3k1d h ARG 245 Cb 1.21 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 3k1d h ARG 245 CO 0.13 0.62 0.00 0.00 -1.51 0.00 0.00 179.97 179.22 3k1d h ALA 246 N 1.53 1.00 -0.65 2.80 0.00 -1.56 -2.70 119.26 119.67 3k1d h ALA 246 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3k1d h ALA 246 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3k1d h ALA 246 CO -0.15 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.38 3k1d n LEU 247 N -2.57 3.78 -4.49 0.00 4.77 -0.61 -4.59 117.00 113.30 3k1d n LEU 247 Ca 0.00 -2.02 -0.24 0.00 -0.03 0.00 0.00 56.01 53.73 3k1d n LEU 247 Cb 0.20 -0.44 -0.10 0.00 -2.33 0.00 0.00 43.42 40.74 3k1d n LEU 247 CO 0.20 0.93 -0.43 -0.13 -1.33 0.00 0.00 177.39 176.64 3k1d s ARG 248 N -1.03 1.69 -0.35 3.23 0.52 -1.02 -5.11 118.95 116.89 3k1d s ARG 248 Ca 0.44 -1.82 0.02 0.00 -0.52 0.00 0.00 55.73 53.85 3k1d s ARG 248 Cb 0.23 -1.63 0.10 0.00 0.52 0.00 0.00 34.95 34.17 3k1d s ARG 248 CO 0.30 0.21 0.09 1.21 0.02 0.00 0.00 175.30 177.13 3k1d s ASN 249 N -3.53 4.42 0.41 0.23 3.84 -1.26 -4.39 114.94 114.66 3k1d s ASN 249 Ca 0.30 -2.06 0.24 0.00 0.21 0.00 0.00 52.86 51.55 3k1d s ASN 249 Cb -0.01 -1.33 1.26 0.00 -0.55 0.00 0.00 41.25 40.63 3k1d s ASN 249 CO 0.15 -0.38 1.68 -0.65 -2.79 0.00 0.00 177.10 175.11 3k1d h PRO 250 N 7.66 0.22 -0.45 0.43 0.11 -1.92 0.58 132.00 138.63 3k1d h PRO 250 Ca -0.07 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.11 3k1d h PRO 250 Cb 1.00 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 3k1d h PRO 250 CO 0.51 0.14 0.31 0.28 -0.21 0.00 0.00 178.00 179.04 3k1d h VAL 251 N 0.23 0.89 -0.53 3.15 2.07 -1.94 -1.33 116.25 118.79 3k1d h VAL 251 Ca 0.73 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 68.16 3k1d h VAL 251 Cb 2.06 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 3k1d h VAL 251 CO -0.40 0.04 0.00 0.59 0.02 0.00 0.00 177.57 177.82 3k1d n ASN 252 N -4.46 3.50 -4.74 0.57 5.03 0.19 -4.79 115.26 110.55 3k1d n ASN 252 Ca 0.07 -1.97 -0.26 0.00 0.87 0.00 0.00 54.58 53.28 3k1d n ASN 252 Cb 0.35 -0.35 -0.07 0.00 -1.02 0.00 0.00 39.78 38.69 3k1d n ASN 252 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 3k1d s GLU 253 N -1.10 2.19 0.33 3.52 0.41 -0.50 -4.36 118.70 119.19 3k1d s GLU 253 Ca 0.38 -1.94 -0.29 0.00 -0.41 0.00 0.00 54.97 52.72 3k1d s GLU 253 Cb 0.21 -1.90 -0.10 0.00 -1.78 0.00 0.00 34.13 30.55 3k1d s GLU 253 CO 0.27 -0.17 1.33 0.00 -0.49 0.00 0.00 175.26 176.21 3k1d s ALA 254 N -2.65 3.51 -0.35 5.21 0.00 -1.26 -4.85 121.76 121.37 3k1d s ALA 254 Ca 0.37 1.29 0.03 0.00 0.00 0.00 0.00 51.96 53.65 3k1d s ALA 254 Cb 0.04 -3.49 0.16 0.00 0.00 0.00 0.00 23.12 19.83 3k1d s ALA 254 CO 0.20 -0.68 0.42 1.41 0.00 0.00 0.00 175.76 177.12 3k1d s MET 255 N -1.74 0.57 -0.28 0.00 1.75 -1.26 -4.98 119.30 113.36 3k1d s MET 255 Ca 0.50 -0.40 -0.04 0.00 -1.25 0.00 0.00 55.69 54.50 3k1d s MET 255 Cb -0.40 -0.46 0.02 0.00 2.84 0.00 0.00 34.83 36.84 3k1d s MET 255 CO 0.53 -1.13 0.02 0.45 -0.65 0.00 0.00 175.02 174.24 3k1d s SER 256 N 1.92 4.81 -0.15 1.11 0.15 -1.26 -1.81 113.70 118.47 3k1d s SER 256 Ca 0.14 -0.90 -0.04 0.00 0.70 0.00 0.00 55.95 55.85 3k1d s SER 256 Cb -0.12 -1.77 -0.03 0.00 -1.71 0.00 0.00 66.02 62.38 3k1d s SER 256 CO -0.15 -0.19 -0.03 -0.89 1.20 0.00 0.00 173.24 173.18 3k1d s THR 257 N 1.39 3.99 -0.45 6.45 2.01 0.12 -1.72 115.64 127.42 3k1d s THR 257 Ca 0.00 -0.33 -0.15 0.00 0.31 0.00 0.00 61.69 61.52 3k1d s THR 257 Cb -0.18 -2.74 0.06 0.00 0.01 0.00 0.00 72.50 69.65 3k1d s THR 257 CO -0.01 0.50 0.36 -0.47 -0.69 0.00 0.00 174.62 174.31 3k1d s TYR 258 N 0.25 3.25 -0.10 4.92 5.04 -0.48 -0.20 117.35 130.03 3k1d s TYR 258 Ca -0.02 -0.90 -0.29 0.00 -2.44 0.00 0.00 57.07 53.42 3k1d s TYR 258 Cb -0.14 -3.00 -0.01 0.00 0.35 0.00 0.00 41.96 39.15 3k1d s TYR 258 CO 0.03 -0.75 0.98 -2.00 -1.34 0.00 0.00 175.55 172.46 3k1d s GLU 259 N 1.63 4.43 -0.02 4.97 2.12 -0.04 -1.62 118.70 130.17 3k1d s GLU 259 Ca 0.04 1.35 0.03 0.00 0.36 0.00 0.00 54.97 56.75 3k1d s GLU 259 Cb -0.23 -3.53 -0.01 0.00 0.26 0.00 0.00 34.13 30.62 3k1d s GLU 259 CO 0.07 -0.27 -0.11 0.08 -0.54 0.00 0.00 175.26 174.48 3k1d s VAL 260 N 1.86 0.93 -0.40 3.70 1.01 0.11 -0.90 120.40 126.71 3k1d s VAL 260 Ca 0.48 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.86 3k1d s VAL 260 Cb -0.18 -0.79 0.05 0.00 0.00 0.00 0.00 36.38 35.46 3k1d s VAL 260 CO 0.19 0.27 0.25 -2.28 0.00 0.00 0.00 175.10 173.53 3k1d s HIS 261 N -0.12 3.28 0.40 5.22 2.46 -1.26 -1.06 115.29 124.21 3k1d s HIS 261 Ca 0.02 -1.17 0.16 0.00 0.47 0.00 0.00 55.06 54.54 3k1d s HIS 261 Cb -0.06 -2.72 1.04 0.00 -0.13 0.00 0.00 32.58 30.70 3k1d s HIS 261 CO -0.00 -0.74 1.85 -0.07 -2.47 0.00 0.00 174.74 173.30 3k1d h LEU 262 N 8.47 0.46 -0.76 8.88 3.38 -1.94 -2.10 115.31 131.68 3k1d h LEU 262 Ca -0.25 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 3k1d h LEU 262 Cb 1.10 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 3k1d h LEU 262 CO 0.73 0.18 -0.30 1.23 0.09 0.00 0.00 178.44 180.37 3k1d h GLY 263 N 0.46 0.00 0.00 0.83 0.00 -1.94 -3.36 103.07 99.06 3k1d h GLY 263 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.81 3k1d h GLY 263 CO -0.20 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.20 3k1d n SER 264 N -3.35 1.17 0.37 0.19 3.41 -0.92 -4.26 113.62 110.24 3k1d n SER 264 Ca 0.01 -1.19 -0.18 0.00 -0.26 0.00 0.00 58.87 57.24 3k1d n SER 264 Cb 0.52 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.38 3k1d n SER 264 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 3k1d h TRP 265 N 0.00 -1.00 -2.64 7.33 7.01 -1.54 -2.77 115.95 122.34 3k1d h TRP 265 Ca 0.00 -0.01 -0.55 0.00 2.11 0.00 0.00 58.89 60.44 3k1d h TRP 265 Cb 0.11 0.35 -0.39 0.00 -2.10 0.00 0.00 29.16 27.13 3k1d h TRP 265 CO 0.00 -0.59 -0.81 1.03 -2.79 0.00 0.00 178.44 175.28 3k1d s ARG 266 N -6.02 0.39 0.14 2.65 0.52 -1.26 -3.88 118.95 111.50 3k1d s ARG 266 Ca -0.18 -0.95 -0.33 0.00 -0.52 0.00 0.00 55.73 53.75 3k1d s ARG 266 Cb 0.04 -1.20 -0.17 0.00 0.52 0.00 0.00 34.95 34.14 3k1d s ARG 266 CO 0.62 -1.13 1.02 -2.30 0.02 0.00 0.00 175.30 173.53 3k1d n PRO 267 N 4.59 0.70 -0.05 3.54 -0.02 -1.26 -2.59 135.00 139.91 3k1d n PRO 267 Ca 0.04 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 3k1d n PRO 267 Cb 0.40 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 3k1d n PRO 267 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k1d n GLY 268 N 1.89 1.14 3.75 -1.23 0.00 -1.26 -5.06 105.19 104.42 3k1d n GLY 268 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3k1d n GLY 268 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k1d s LEU 269 N 0.00 4.62 0.62 0.99 1.43 -1.07 -5.06 118.68 120.22 3k1d s LEU 269 Ca 0.00 2.00 -0.01 0.00 -1.03 0.00 0.00 54.13 55.09 3k1d s LEU 269 Cb 0.00 -3.61 0.06 0.00 0.03 0.00 0.00 46.19 42.67 3k1d s LEU 269 CO 0.00 0.09 0.87 -0.94 0.23 0.00 0.00 176.35 176.60 3k1d s SER 270 N -1.05 4.96 0.22 2.29 1.04 -1.26 -4.88 113.70 115.02 3k1d s SER 270 Ca 0.42 -0.00 -0.08 0.00 0.48 0.00 0.00 55.95 56.77 3k1d s SER 270 Cb -0.27 -0.72 0.28 0.00 0.10 0.00 0.00 66.02 65.41 3k1d s SER 270 CO 0.34 -1.40 1.82 1.88 0.98 0.00 0.00 173.24 176.85 3k1d h TYR 271 N -0.20 0.76 -0.49 5.02 0.99 -1.32 -0.26 116.97 121.47 3k1d h TYR 271 Ca -0.41 0.03 -0.05 0.00 2.00 0.00 0.00 58.73 60.30 3k1d h TYR 271 Cb 1.29 -0.23 -0.02 0.00 1.00 0.00 0.00 36.73 38.77 3k1d h TYR 271 CO 0.23 0.36 0.10 0.00 -0.00 0.00 0.00 178.16 178.85 3k1d h ARG 272 N 0.75 0.75 -0.09 4.88 2.47 -1.81 0.22 114.38 121.55 3k1d h ARG 272 Ca 0.32 -0.15 -0.22 0.00 -1.26 0.00 0.00 59.98 58.67 3k1d h ARG 272 Cb 0.21 -0.11 0.01 0.00 -1.65 0.00 0.00 29.97 28.42 3k1d h ARG 272 CO -0.19 0.69 -0.84 1.96 0.56 0.00 0.00 179.97 182.15 3k1d h GLN 273 N 0.72 0.65 -0.13 0.04 4.20 -1.80 -3.07 115.11 115.72 3k1d h GLN 273 Ca 0.16 -0.57 -0.06 0.00 0.06 0.00 0.00 58.65 58.23 3k1d h GLN 273 Cb 0.29 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 3k1d h GLN 273 CO 0.00 1.19 -0.20 -0.07 -0.67 0.00 0.00 178.83 179.07 3k1d h LEU 274 N 0.42 0.22 -2.69 1.46 3.38 -0.75 -0.09 115.31 117.27 3k1d h LEU 274 Ca -0.07 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3k1d h LEU 274 Cb 1.46 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.15 3k1d h LEU 274 CO 0.16 0.44 -0.00 0.00 0.09 0.00 0.00 178.44 179.13 3k1d h ALA 275 N 1.59 1.30 0.00 1.53 0.00 -0.85 0.18 119.26 123.01 3k1d h ALA 275 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3k1d h ALA 275 Cb 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3k1d h ALA 275 CO 0.03 0.00 -0.61 0.54 0.00 0.00 0.00 179.25 179.21 3k1d n ARG 276 N -3.52 0.36 -0.02 0.00 5.12 -0.71 -4.30 116.66 113.60 3k1d n ARG 276 Ca -0.03 0.22 -0.11 0.00 -1.93 0.00 0.00 57.85 56.00 3k1d n ARG 276 Cb 0.08 -1.22 -0.05 0.00 -1.16 0.00 0.00 32.46 30.11 3k1d n ARG 276 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 3k1d h GLU 277 N -0.70 0.16 -0.38 5.56 5.08 -1.01 -1.31 114.58 121.98 3k1d h GLU 277 Ca 0.00 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 3k1d h GLU 277 Cb 0.61 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3k1d h GLU 277 CO 0.00 0.17 -0.23 1.25 -1.00 0.00 0.00 179.01 179.20 3k1d h LEU 278 N 0.11 0.86 0.17 1.33 5.85 -1.17 -0.84 115.31 121.63 3k1d h LEU 278 Ca 0.04 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 3k1d h LEU 278 Cb 0.05 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 3k1d h LEU 278 CO -0.01 1.10 -0.09 0.74 -0.34 0.00 0.00 178.44 179.84 3k1d h THR 279 N 0.63 0.81 -0.74 1.05 2.02 -1.53 -0.74 112.91 114.40 3k1d h THR 279 Ca 0.08 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 3k1d h THR 279 Cb 0.80 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 3k1d h THR 279 CO 0.07 0.00 0.41 0.44 0.37 0.00 0.00 175.52 176.80 3k1d h ASP 280 N -0.25 0.92 0.04 4.18 5.19 -1.23 -1.23 116.42 124.04 3k1d h ASP 280 Ca -0.02 -0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.31 3k1d h ASP 280 Cb 0.20 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.48 3k1d h ASP 280 CO 0.03 0.74 -0.02 0.22 -3.12 0.00 0.00 179.24 177.09 3k1d h TYR 281 N 1.04 -0.06 -0.80 4.55 3.20 -0.79 -1.29 116.97 122.83 3k1d h TYR 281 Ca 0.26 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.13 3k1d h TYR 281 Cb 0.03 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.27 3k1d h TYR 281 CO 0.01 0.14 0.51 0.82 -1.64 0.00 0.00 178.16 178.00 3k1d h ILE 282 N -0.24 1.22 -0.32 1.81 2.04 -0.93 -0.78 117.51 120.30 3k1d h ILE 282 Ca -0.01 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.42 3k1d h ILE 282 Cb 0.22 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 3k1d h ILE 282 CO 0.01 0.22 0.19 0.58 0.00 0.00 0.00 178.15 179.14 3k1d h VAL 283 N 1.09 1.12 0.00 1.67 2.07 -1.14 -1.30 116.25 119.76 3k1d h VAL 283 Ca 0.29 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3k1d h VAL 283 Cb -0.09 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3k1d h VAL 283 CO -0.06 0.12 -0.18 0.44 0.02 0.00 0.00 177.57 177.91 3k1d h ASP 284 N 0.41 0.00 0.72 0.57 3.32 -0.80 -2.79 116.42 117.85 3k1d h ASP 284 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3k1d h ASP 284 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3k1d h ASP 284 CO -0.02 0.18 -0.65 0.00 -1.72 0.00 0.00 179.24 177.02 3k1d n GLN 285 N -3.42 0.22 -0.65 3.56 3.00 -0.34 -4.92 117.38 114.83 3k1d n GLN 285 Ca -0.00 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 3k1d n GLN 285 Cb 0.36 -1.63 0.00 0.00 0.00 0.00 0.00 30.24 28.97 3k1d n GLN 285 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3k1d n GLY 286 N 1.38 0.65 3.78 1.08 0.00 -0.52 -4.04 105.19 107.52 3k1d n GLY 286 Ca 0.04 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 3k1d n GLY 286 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k1d s PHE 287 N -2.00 3.49 -0.15 1.61 0.08 -1.11 -4.72 117.98 115.18 3k1d s PHE 287 Ca 0.00 1.71 0.18 0.00 0.12 0.00 0.00 56.93 58.94 3k1d s PHE 287 Cb 0.00 -3.03 -0.08 0.00 -0.57 0.00 0.00 43.02 39.33 3k1d s PHE 287 CO 0.00 -0.22 0.95 1.79 -0.10 0.00 0.00 175.22 177.64 3k1d h THR 288 N 2.44 0.45 -4.13 0.64 1.35 -1.68 -3.44 112.91 108.53 3k1d h THR 288 Ca -0.47 -1.84 -0.15 0.00 -0.55 0.00 0.00 66.41 63.39 3k1d h THR 288 Cb 1.20 1.99 -0.16 0.00 -1.73 0.00 0.00 68.15 69.45 3k1d h THR 288 CO 0.64 0.26 -0.69 -1.00 -0.25 0.00 0.00 175.52 174.48 3k1d s HIS 289 N -3.00 0.53 -0.06 4.73 3.76 -0.70 -1.41 115.29 119.13 3k1d s HIS 289 Ca -0.02 -0.95 0.04 0.00 -0.15 0.00 0.00 55.06 53.99 3k1d s HIS 289 Cb 0.09 -0.37 -0.00 0.00 1.11 0.00 0.00 32.58 33.40 3k1d s HIS 289 CO 0.80 -0.31 -0.19 0.54 -0.85 0.00 0.00 174.74 174.72 3k1d s VAL 290 N -3.41 1.64 -0.21 -0.90 0.11 -0.55 -1.39 120.40 115.69 3k1d s VAL 290 Ca 0.03 -0.82 -0.03 0.00 -2.93 0.00 0.00 61.98 58.23 3k1d s VAL 290 Cb 0.04 -1.41 -0.01 0.00 -1.53 0.00 0.00 36.38 33.47 3k1d s VAL 290 CO -0.08 0.47 -0.05 -0.70 -3.33 0.00 0.00 175.10 171.41 3k1d s GLU 291 N 0.11 3.37 -0.13 1.54 2.12 -0.64 -0.94 118.70 124.13 3k1d s GLU 291 Ca -0.07 -0.63 -0.09 0.00 0.36 0.00 0.00 54.97 54.53 3k1d s GLU 291 Cb -0.14 -2.97 -0.04 0.00 0.26 0.00 0.00 34.13 31.24 3k1d s GLU 291 CO 0.04 -0.17 0.19 -0.51 -0.54 0.00 0.00 175.26 174.26 3k1d s LEU 292 N 1.40 4.35 0.83 2.70 1.43 0.11 0.04 118.68 129.54 3k1d s LEU 292 Ca 0.05 0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 53.53 3k1d s LEU 292 Cb -0.14 -2.18 0.09 0.00 0.03 0.00 0.00 46.19 43.99 3k1d s LEU 292 CO -0.03 0.32 1.12 -0.76 0.23 0.00 0.00 176.35 177.22 3k1d s LEU 293 N -0.58 2.97 -0.28 1.79 1.02 -0.22 -1.01 118.68 122.37 3k1d s LEU 293 Ca 0.15 1.99 -0.26 0.00 0.02 0.00 0.00 54.13 56.03 3k1d s LEU 293 Cb -0.13 -4.54 -0.11 0.00 0.02 0.00 0.00 46.19 41.43 3k1d s LEU 293 CO 0.04 -2.46 0.91 -2.65 0.02 0.00 0.00 176.35 172.21 3k1d n PRO 294 N -3.76 0.00 0.01 1.29 -0.02 -1.26 -4.60 135.00 126.67 3k1d n PRO 294 Ca 0.10 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.69 3k1d n PRO 294 Cb 0.53 -0.84 -0.08 0.00 -0.02 0.00 0.00 33.50 33.08 3k1d n PRO 294 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3k1d n VAL 295 N 2.30 0.08 -1.68 -1.45 0.24 -1.26 -4.67 118.33 111.88 3k1d n VAL 295 Ca 0.18 -0.27 -0.34 0.00 -2.04 0.00 0.00 64.34 61.87 3k1d n VAL 295 Cb -0.03 0.34 0.06 0.00 -1.47 0.00 0.00 33.84 32.74 3k1d n VAL 295 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3k1d s ALA 296 N -3.26 2.36 0.19 2.33 0.00 -1.26 -0.22 121.76 121.90 3k1d s ALA 296 Ca 0.01 0.71 -0.33 0.00 0.00 0.00 0.00 51.96 52.35 3k1d s ALA 296 Cb 0.15 -3.38 -0.14 0.00 0.00 0.00 0.00 23.12 19.74 3k1d s ALA 296 CO 0.86 -1.46 1.46 -1.91 0.00 0.00 0.00 175.76 174.70 3k1d n GLU 297 N -2.41 1.96 -3.81 0.00 4.07 0.65 -4.39 120.64 116.70 3k1d n GLU 297 Ca 0.12 0.70 -0.13 0.00 -0.06 0.00 0.00 57.16 57.79 3k1d n GLU 297 Cb 0.51 -2.39 -0.14 0.00 -0.06 0.00 0.00 31.44 29.36 3k1d n GLU 297 CO 0.00 0.00 0.00 -3.38 -0.06 0.00 0.00 177.13 173.69 3k1d s HIS 298 N 0.37 -0.09 0.26 4.31 -3.43 -1.26 -1.29 115.29 114.16 3k1d s HIS 298 Ca 0.74 0.26 0.13 0.00 -0.80 0.00 0.00 55.06 55.39 3k1d s HIS 298 Cb -0.70 -0.03 0.48 0.00 -1.43 0.00 0.00 32.58 30.90 3k1d s HIS 298 CO 0.45 -0.07 1.67 -1.00 -2.00 0.00 0.00 174.74 173.78 3k1d h PRO 299 N 6.45 0.00 -4.87 -0.38 0.13 -1.95 -3.43 132.00 127.95 3k1d h PRO 299 Ca -0.31 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.14 3k1d h PRO 299 Cb 1.18 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.97 3k1d h PRO 299 CO 0.45 0.53 -0.76 0.12 -0.23 0.00 0.00 178.00 178.11 3k1d s PHE 300 N -3.67 3.16 0.54 1.56 5.36 -1.26 -4.87 117.98 118.80 3k1d s PHE 300 Ca -0.01 -1.91 0.21 0.00 -0.96 0.00 0.00 56.93 54.26 3k1d s PHE 300 Cb 0.12 -2.02 1.40 0.00 -0.34 0.00 0.00 43.02 42.19 3k1d s PHE 300 CO 0.74 -0.81 2.13 0.00 -1.46 0.00 0.00 175.22 175.82 3k1d h ALA 301 N 7.92 2.02 0.00 11.12 0.00 -1.99 -1.04 119.26 137.29 3k1d h ALA 301 Ca -0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3k1d h ALA 301 Cb 1.08 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3k1d h ALA 301 CO 0.53 -0.15 0.00 0.41 0.00 0.00 0.00 179.25 180.04 3k1d n GLY 302 N -1.52 -1.05 0.07 0.00 0.00 -1.26 -0.80 105.19 100.63 3k1d n GLY 302 Ca -0.00 0.09 0.14 0.00 0.00 0.00 0.00 46.02 46.25 3k1d n GLY 302 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k1d n SER 303 N -2.07 0.37 0.00 1.61 3.41 -0.39 -4.89 113.62 111.67 3k1d n SER 303 Ca 0.01 -0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 3k1d n SER 303 Cb 0.15 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 3k1d n SER 303 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3k1d n TRP 304 N -1.15 0.00 0.00 7.33 8.01 0.02 -2.25 117.44 129.41 3k1d n TRP 304 Ca 0.12 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.31 3k1d n TRP 304 Cb 0.30 -0.97 0.00 0.00 -2.01 0.00 0.00 31.31 28.62 3k1d n TRP 304 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3k1d n GLY 305 N -1.63 1.05 0.24 6.99 0.00 -1.26 -4.40 105.19 106.18 3k1d n GLY 305 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 3k1d n GLY 305 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3k1d h TYR 306 N 0.00 0.00 -2.97 1.61 -1.99 -1.78 -3.34 116.97 108.50 3k1d h TYR 306 Ca 0.00 0.00 -0.79 0.00 2.00 0.00 0.00 58.73 59.94 3k1d h TYR 306 Cb 0.00 0.00 -0.25 0.00 2.00 0.00 0.00 36.73 38.48 3k1d h TYR 306 CO 0.00 0.13 0.83 1.04 -0.00 0.00 0.00 178.16 180.16 3k1d n GLN 307 N -3.26 3.69 -2.72 4.88 6.02 -1.26 -4.75 117.38 119.98 3k1d n GLN 307 Ca 0.01 -4.28 -0.39 0.00 -0.01 0.00 0.00 57.00 52.33 3k1d n GLN 307 Cb 0.39 -2.68 -0.06 0.00 1.02 0.00 0.00 30.24 28.91 3k1d n GLN 307 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3k1d s VAL 308 N -0.83 4.03 -0.03 5.09 1.01 -1.25 -4.27 120.40 124.15 3k1d s VAL 308 Ca 0.34 1.91 0.04 0.00 0.00 0.00 0.00 61.98 64.27 3k1d s VAL 308 Cb -0.04 -4.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 3k1d s VAL 308 CO -0.02 0.35 0.04 0.35 0.00 0.00 0.00 175.10 175.82 3k1d n THR 309 N 1.11 0.19 -3.83 3.92 -2.24 -0.41 -4.17 114.28 108.84 3k1d n THR 309 Ca -0.00 -0.15 -0.30 0.00 -2.27 0.00 0.00 64.05 61.33 3k1d n THR 309 Cb 0.48 -0.49 -0.14 0.00 -2.10 0.00 0.00 70.33 68.08 3k1d n THR 309 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3k1d s SER 310 N -3.18 4.00 0.53 3.42 0.01 -1.13 -4.85 113.70 112.50 3k1d s SER 310 Ca -0.02 -2.78 0.23 0.00 1.31 0.00 0.00 55.95 54.69 3k1d s SER 310 Cb 0.02 -1.33 1.43 0.00 0.21 0.00 0.00 66.02 66.35 3k1d s SER 310 CO 0.17 -0.26 2.13 1.88 0.41 0.00 0.00 173.24 177.58 3k1d h TYR 311 N 6.67 0.00 -0.61 2.43 0.05 -1.86 -2.81 116.97 120.84 3k1d h TYR 311 Ca -0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.73 3k1d h TYR 311 Cb 0.91 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.65 3k1d h TYR 311 CO 0.50 0.07 0.00 0.66 -1.05 0.00 0.00 178.16 178.33 3k1d n TYR 312 N -4.08 1.50 -3.77 4.88 4.01 -1.26 -4.91 117.16 113.53 3k1d n TYR 312 Ca -0.03 -0.58 -0.14 0.00 -0.16 0.00 0.00 57.90 56.99 3k1d n TYR 312 Cb 0.15 -0.27 -0.15 0.00 -0.31 0.00 0.00 39.34 38.76 3k1d n TYR 312 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3k1d s ALA 313 N -1.95 -0.13 0.42 -0.72 0.00 -1.07 -4.30 121.76 114.02 3k1d s ALA 313 Ca 0.49 0.47 -0.25 0.00 0.00 0.00 0.00 51.96 52.67 3k1d s ALA 313 Cb 0.32 -0.32 -0.08 0.00 0.00 0.00 0.00 23.12 23.04 3k1d s ALA 313 CO 0.22 -0.12 1.19 -2.14 0.00 0.00 0.00 175.76 174.91 3k1d s PRO 314 N 0.93 3.95 0.23 0.00 0.02 -1.26 -0.25 135.00 138.62 3k1d s PRO 314 Ca -0.07 1.86 -0.32 0.00 0.02 0.00 0.00 61.00 62.49 3k1d s PRO 314 Cb -0.10 -2.61 -0.13 0.00 0.02 0.00 0.00 34.50 31.68 3k1d s PRO 314 CO -0.04 -0.42 1.50 -2.37 -0.33 0.00 0.00 177.00 175.34 3k1d n THR 315 N -0.09 0.70 1.82 0.99 5.66 0.70 -4.51 114.28 119.55 3k1d n THR 315 Ca 0.05 -0.17 0.15 0.00 -3.05 0.00 0.00 64.05 61.02 3k1d n THR 315 Cb 0.47 -1.60 0.87 0.00 -1.55 0.00 0.00 70.33 68.51 3k1d n THR 315 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3k1d n SER 316 N 2.53 0.00 -0.08 1.09 3.41 -1.26 -3.78 113.62 115.53 3k1d n SER 316 Ca 0.12 -0.91 0.07 0.00 -0.26 0.00 0.00 58.87 57.90 3k1d n SER 316 Cb 0.32 -0.00 0.42 0.00 -0.26 0.00 0.00 64.21 64.69 3k1d n SER 316 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3k1d h ARG 317 N 0.00 0.57 -0.17 4.33 3.08 -1.93 -3.01 114.38 117.25 3k1d h ARG 317 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3k1d h ARG 317 Cb 0.00 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.92 3k1d h ARG 317 CO 0.00 0.38 0.00 1.19 -1.07 0.00 0.00 179.97 180.47 3k1d n PHE 318 N -4.47 0.21 0.00 3.04 3.01 -1.25 -4.99 117.46 113.00 3k1d n PHE 318 Ca 0.07 -0.16 0.00 0.00 1.01 0.00 0.00 57.45 58.37 3k1d n PHE 318 Cb 0.19 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.66 3k1d n PHE 318 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3k1d n GLY 319 N 0.85 0.97 3.95 1.37 0.00 -1.14 -0.86 105.19 110.33 3k1d n GLY 319 Ca 0.11 -1.91 -0.23 0.00 0.00 0.00 0.00 46.02 43.99 3k1d n GLY 319 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k1d s THR 320 N -2.45 2.72 0.24 2.61 -4.23 -1.26 -4.27 115.64 109.00 3k1d s THR 320 Ca 0.00 -0.46 -0.05 0.00 -1.18 0.00 0.00 61.69 59.99 3k1d s THR 320 Cb 0.00 -3.08 0.23 0.00 1.34 0.00 0.00 72.50 70.99 3k1d s THR 320 CO 0.00 -0.07 1.87 -0.65 -0.54 0.00 0.00 174.62 175.24 3k1d h PRO 321 N -0.15 1.05 -0.48 3.99 0.11 -1.88 0.14 132.00 134.77 3k1d h PRO 321 Ca -0.43 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 3k1d h PRO 321 Cb 1.30 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3k1d h PRO 321 CO 0.56 0.70 0.10 -0.44 -0.21 0.00 0.00 178.00 178.71 3k1d h ASP 322 N 1.08 0.69 -0.67 -2.05 3.32 -1.98 0.27 116.42 117.08 3k1d h ASP 322 Ca 0.38 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 3k1d h ASP 322 Cb 0.09 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 3k1d h ASP 322 CO -0.15 0.69 0.36 0.44 -1.72 0.00 0.00 179.24 178.87 3k1d h ASP 323 N 0.71 0.85 -0.32 6.45 3.32 -1.40 -0.88 116.42 125.16 3k1d h ASP 323 Ca 0.16 -0.07 -0.14 0.00 0.02 0.00 0.00 57.03 57.00 3k1d h ASP 323 Cb 0.29 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3k1d h ASP 323 CO 0.00 0.70 -0.31 0.15 -1.72 0.00 0.00 179.24 178.07 3k1d h PHE 324 N 0.96 0.98 -0.57 4.55 3.57 0.22 -2.61 116.94 124.04 3k1d h PHE 324 Ca 0.24 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3k1d h PHE 324 Cb 0.05 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 3k1d h PHE 324 CO 0.01 1.03 0.35 0.00 -2.23 0.00 0.00 178.31 177.47 3k1d h ARG 325 N 0.71 0.76 -0.26 1.11 3.08 -0.15 -1.13 114.38 118.49 3k1d h ARG 325 Ca 0.08 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 3k1d h ARG 325 Cb 0.86 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 3k1d h ARG 325 CO 0.08 0.52 -0.12 0.00 -1.07 0.00 0.00 179.97 179.38 3k1d h ALA 326 N 1.62 1.32 0.04 0.04 0.00 -0.82 0.43 119.26 121.88 3k1d h ALA 326 Ca 0.21 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3k1d h ALA 326 Cb -0.05 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3k1d h ALA 326 CO -0.04 0.46 -0.02 1.25 0.00 0.00 0.00 179.25 180.90 3k1d h LEU 327 N 0.40 -0.05 -0.52 0.00 5.85 -0.98 -0.50 115.31 119.51 3k1d h LEU 327 Ca 0.08 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 3k1d h LEU 327 Cb 0.45 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3k1d h LEU 327 CO 0.03 0.28 0.31 0.58 -0.34 0.00 0.00 178.44 179.29 3k1d h VAL 328 N -0.38 1.16 -0.53 1.05 2.07 -1.09 -1.60 116.25 116.93 3k1d h VAL 328 Ca -0.01 -0.37 0.03 0.00 0.82 0.00 0.00 66.70 67.18 3k1d h VAL 328 Cb 0.35 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 3k1d h VAL 328 CO 0.01 0.16 0.31 -0.78 0.02 0.00 0.00 177.57 177.30 3k1d h ASP 329 N 0.70 0.50 -0.58 0.57 1.82 -0.09 -1.23 116.42 118.11 3k1d h ASP 329 Ca 0.19 0.01 -0.06 0.00 -0.39 0.00 0.00 57.03 56.78 3k1d h ASP 329 Cb -0.00 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 39.88 3k1d h ASP 329 CO -0.03 0.35 0.14 0.00 -1.61 0.00 0.00 179.24 178.09 3k1d h ALA 330 N 1.24 0.76 -0.50 -0.78 0.00 -0.77 -1.53 119.26 117.69 3k1d h ALA 330 Ca 0.22 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3k1d h ALA 330 Cb 0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3k1d h ALA 330 CO -0.10 0.47 0.21 -0.07 0.00 0.00 0.00 179.25 179.75 3k1d h LEU 331 N 0.83 0.69 -0.79 0.00 3.38 -0.98 -2.60 115.31 115.84 3k1d h LEU 331 Ca 0.18 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3k1d h LEU 331 Cb 0.34 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 3k1d h LEU 331 CO 0.00 0.66 0.50 0.45 0.09 0.00 0.00 178.44 180.15 3k1d h HIS 332 N 0.67 0.95 0.00 1.13 3.86 -0.97 -0.30 115.15 120.49 3k1d h HIS 332 Ca 0.17 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 3k1d h HIS 332 Cb 0.18 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.34 3k1d h HIS 332 CO 0.00 0.54 0.00 1.96 0.86 0.00 0.00 177.93 181.30 3k1d h GLN 333 N 0.98 0.00 -0.09 2.45 4.20 -1.09 -1.75 115.11 119.82 3k1d h GLN 333 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 3k1d h GLN 333 Cb 0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.79 3k1d h GLN 333 CO -0.11 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.05 3k1d n ALA 334 N -1.98 2.51 -0.82 3.87 0.00 -0.55 -4.94 120.51 118.60 3k1d n ALA 334 Ca 0.01 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.85 3k1d n ALA 334 Cb 0.28 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.73 3k1d n ALA 334 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k1d n GLY 335 N 1.27 0.52 3.74 0.00 0.00 -0.66 -5.01 105.19 105.04 3k1d n GLY 335 Ca 0.17 -0.68 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 3k1d n GLY 335 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k1d s ILE 336 N -2.00 5.33 0.38 -0.61 -1.09 -0.23 -4.93 121.20 118.05 3k1d s ILE 336 Ca 0.00 0.16 -0.17 0.00 -2.23 0.00 0.00 60.65 58.41 3k1d s ILE 336 Cb 0.00 -3.41 -0.09 0.00 -1.58 0.00 0.00 42.46 37.37 3k1d s ILE 336 CO 0.00 0.47 0.82 -0.83 -1.23 0.00 0.00 174.94 174.18 3k1d s GLY 337 N 0.14 2.30 -0.17 6.18 0.00 -0.50 -3.70 107.32 111.57 3k1d s GLY 337 Ca 0.08 0.15 0.01 0.00 0.00 0.00 0.00 44.72 44.96 3k1d s GLY 337 CO -0.01 0.38 -0.15 0.14 0.00 0.00 0.00 173.10 173.46 3k1d s VAL 338 N -2.12 1.76 -0.09 1.40 1.01 -1.26 -1.49 120.40 119.61 3k1d s VAL 338 Ca 0.57 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.72 3k1d s VAL 338 Cb -0.10 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 3k1d s VAL 338 CO 0.18 0.41 -0.09 -0.63 0.00 0.00 0.00 175.10 174.97 3k1d s ILE 339 N 1.40 3.48 -0.04 2.22 1.01 -0.11 -0.56 121.20 128.59 3k1d s ILE 339 Ca 0.03 -0.54 0.06 0.00 0.00 0.00 0.00 60.65 60.20 3k1d s ILE 339 Cb -0.14 -2.43 -0.01 0.00 0.01 0.00 0.00 42.46 39.89 3k1d s ILE 339 CO -0.11 0.57 -0.24 -0.69 0.00 0.00 0.00 174.94 174.47 3k1d s VAL 340 N -0.41 1.92 -0.06 2.92 1.01 -0.67 0.10 120.40 125.20 3k1d s VAL 340 Ca 0.06 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 60.73 3k1d s VAL 340 Cb -0.12 -1.61 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 3k1d s VAL 340 CO 0.02 0.54 1.43 -1.81 0.00 0.00 0.00 175.10 175.28 3k1d s ASP 341 N -0.26 6.83 -0.14 3.32 1.01 -0.18 -1.86 116.67 125.38 3k1d s ASP 341 Ca 0.01 2.04 -0.03 0.00 0.71 0.00 0.00 52.55 55.27 3k1d s ASP 341 Cb -0.12 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.23 3k1d s ASP 341 CO 0.02 -0.78 -0.03 0.86 0.21 0.00 0.00 175.17 175.45 3k1d s TRP 342 N 3.13 3.04 -0.75 4.23 -0.00 -0.06 -4.02 118.94 124.51 3k1d s TRP 342 Ca 0.64 -0.19 0.04 0.00 -0.00 0.00 0.00 56.10 56.59 3k1d s TRP 342 Cb -0.29 -1.92 0.27 0.00 -0.00 0.00 0.00 33.47 31.52 3k1d s TRP 342 CO 0.24 0.07 0.94 1.33 -0.00 0.00 0.00 176.95 179.53 3k1d n VAL 343 N 3.24 3.14 0.30 5.86 0.24 -1.26 -4.07 118.33 125.79 3k1d n VAL 343 Ca -0.17 -5.42 0.15 0.00 -2.04 0.00 0.00 64.34 56.86 3k1d n VAL 343 Cb 0.53 -2.07 0.50 0.00 -1.47 0.00 0.00 33.84 31.32 3k1d n VAL 343 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3k1d h PRO 344 N 4.45 0.00 0.00 7.34 0.11 -1.96 -3.07 132.00 138.86 3k1d h PRO 344 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3k1d h PRO 344 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 3k1d h PRO 344 CO 0.96 0.00 -0.11 0.00 -0.21 0.00 0.00 178.00 178.64 3k1d n ALA 345 N -2.03 2.54 -2.71 -0.75 0.00 -1.26 -4.63 120.51 111.68 3k1d n ALA 345 Ca 0.02 -0.13 -0.34 0.00 0.00 0.00 0.00 53.44 52.98 3k1d n ALA 345 Cb 0.37 -1.40 -0.09 0.00 0.00 0.00 0.00 19.45 18.33 3k1d n ALA 345 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3k1d s HIS 346 N -3.02 3.18 -0.10 0.00 3.76 -1.16 -4.91 115.29 113.04 3k1d s HIS 346 Ca 0.13 0.19 0.02 0.00 -0.15 0.00 0.00 55.06 55.24 3k1d s HIS 346 Cb 0.17 -1.76 0.01 0.00 1.11 0.00 0.00 32.58 32.11 3k1d s HIS 346 CO 0.58 0.49 -0.17 0.12 -0.85 0.00 0.00 174.74 174.91 3k1d s PHE 347 N -0.98 2.06 0.08 1.40 5.36 -1.25 -4.89 117.98 119.76 3k1d s PHE 347 Ca 0.16 -0.93 -0.35 0.00 -0.96 0.00 0.00 56.93 54.85 3k1d s PHE 347 Cb -0.11 -1.46 -0.14 0.00 -0.34 0.00 0.00 43.02 40.97 3k1d s PHE 347 CO 0.06 -0.45 1.59 -2.30 -1.46 0.00 0.00 175.22 172.66 3k1d n PRO 348 N 4.03 1.93 0.00 10.12 -0.02 -1.26 -4.91 135.00 144.89 3k1d n PRO 348 Ca -0.20 0.70 0.10 0.00 -2.02 0.00 0.00 63.50 62.08 3k1d n PRO 348 Cb 0.52 -2.45 0.04 0.00 -0.02 0.00 0.00 33.50 31.58 3k1d n PRO 348 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3k1d n LYS 349 N 3.90 1.63 -2.29 -0.52 2.85 -1.26 -4.03 118.16 118.45 3k1d n LYS 349 Ca 0.19 -1.31 -0.41 0.00 -1.05 0.00 0.00 58.31 55.73 3k1d n LYS 349 Cb 0.26 -1.37 -0.03 0.00 -0.65 0.00 0.00 35.03 33.25 3k1d n LYS 349 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3k1d s ASP 350 N -1.87 6.98 0.59 -5.58 1.01 -1.26 -4.92 116.67 111.63 3k1d s ASP 350 Ca 0.19 2.36 0.34 0.00 0.71 0.00 0.00 52.55 56.15 3k1d s ASP 350 Cb 0.16 -2.61 1.88 0.00 1.01 0.00 0.00 42.92 43.35 3k1d s ASP 350 CO 0.35 -0.44 2.23 0.00 0.21 0.00 0.00 175.17 177.52 3k1d h ALA 351 N 5.03 1.28 -0.20 5.23 0.00 -1.93 -1.36 119.26 127.30 3k1d h ALA 351 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3k1d h ALA 351 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3k1d h ALA 351 CO 0.74 0.04 0.00 -2.67 0.00 0.00 0.00 179.25 177.36 3k1d n TRP 352 N -3.54 0.25 0.00 0.00 4.27 -1.26 -4.85 117.44 112.31 3k1d n TRP 352 Ca -0.02 -0.13 0.00 0.00 -3.89 0.00 0.00 57.50 53.46 3k1d n TRP 352 Cb 0.13 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.08 3k1d n TRP 352 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3k1d n ALA 353 N 0.86 0.00 0.19 -1.67 0.00 -0.51 -1.54 120.51 117.84 3k1d n ALA 353 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.70 3k1d n ALA 353 Cb 0.47 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.79 3k1d n ALA 353 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3k1d n LEU 354 N 0.00 0.20 -4.76 0.00 4.77 -1.26 -4.73 117.00 111.23 3k1d n LEU 354 Ca 0.00 -0.12 -0.41 0.00 -0.03 0.00 0.00 56.01 55.44 3k1d n LEU 354 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 3k1d n LEU 354 CO 0.00 0.05 1.22 -0.83 -1.33 0.00 0.00 177.39 176.50 3k1d s GLY 355 N -3.66 2.31 -1.00 -0.72 0.00 -1.26 -3.12 107.32 99.88 3k1d s GLY 355 Ca -0.03 1.57 -0.15 0.00 0.00 0.00 0.00 44.72 46.11 3k1d s GLY 355 CO 0.72 2.48 0.28 0.54 0.00 0.00 0.00 173.10 177.11 3k1d n ARG 356 N 1.79 -0.66 -0.08 2.90 1.74 -1.26 -4.81 116.66 116.28 3k1d n ARG 356 Ca 0.06 -0.03 -0.06 0.00 -0.77 0.00 0.00 57.85 57.05 3k1d n ARG 356 Cb 0.38 -2.01 -0.00 0.00 -1.02 0.00 0.00 32.46 29.81 3k1d n ARG 356 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3k1d h PHE 357 N -1.09 -0.38 -0.60 -1.55 3.57 -1.60 -2.72 116.94 112.57 3k1d h PHE 357 Ca -0.51 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.03 3k1d h PHE 357 Cb 1.03 0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.98 3k1d h PHE 357 CO 0.32 -0.23 0.00 -0.40 -2.23 0.00 0.00 178.31 175.77 3k1d n ASP 358 N -5.33 5.03 0.00 0.41 5.68 -1.26 -4.87 116.55 116.20 3k1d n ASP 358 Ca 0.01 -2.63 0.00 0.00 -0.50 0.00 0.00 54.79 51.67 3k1d n ASP 358 Cb 0.24 -0.61 0.00 0.00 -1.14 0.00 0.00 41.12 39.62 3k1d n ASP 358 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3k1d n GLY 359 N 0.87 0.27 3.33 6.12 0.00 -1.03 -0.76 105.19 113.99 3k1d n GLY 359 Ca 0.26 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.11 3k1d n GLY 359 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k1d s THR 360 N -2.00 0.88 -1.10 2.61 -4.23 -1.26 -4.28 115.64 106.26 3k1d s THR 360 Ca 0.00 -2.01 -0.20 0.00 -1.18 0.00 0.00 61.69 58.30 3k1d s THR 360 Cb 0.00 -2.45 -0.06 0.00 1.34 0.00 0.00 72.50 71.32 3k1d s THR 360 CO 0.00 -0.21 1.98 -2.65 -0.54 0.00 0.00 174.62 173.20 3k1d n PRO 361 N -0.44 2.10 0.26 3.99 -0.02 -1.26 -3.58 135.00 136.05 3k1d n PRO 361 Ca -0.03 -2.35 -0.10 0.00 -2.02 0.00 0.00 63.50 58.99 3k1d n PRO 361 Cb 0.65 -3.24 -0.05 0.00 -0.02 0.00 0.00 33.50 30.84 3k1d n PRO 361 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3k1d h LEU 362 N 13.36 -0.57 -0.00 2.45 5.85 -1.91 -3.37 115.31 131.12 3k1d h LEU 362 Ca 0.43 0.02 -0.24 0.00 0.84 0.00 0.00 57.88 58.92 3k1d h LEU 362 Cb 0.74 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 3k1d h LEU 362 CO 1.74 -0.35 -1.10 1.88 -0.34 0.00 0.00 178.44 180.27 3k1d h TYR 363 N -0.80 0.39 -3.63 1.25 0.05 -1.85 -3.47 116.97 108.91 3k1d h TYR 363 Ca -0.07 -0.27 -0.51 0.00 0.05 0.00 0.00 58.73 57.94 3k1d h TYR 363 Cb 0.52 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.21 3k1d h TYR 363 CO 0.07 1.17 0.03 -1.83 -1.05 0.00 0.00 178.16 176.54 3k1d s GLU 364 N -2.83 3.94 0.09 4.88 1.03 -1.26 -0.46 118.70 124.08 3k1d s GLU 364 Ca -0.03 0.54 -0.31 0.00 0.03 0.00 0.00 54.97 55.20 3k1d s GLU 364 Cb 0.08 -2.51 -0.09 0.00 -0.80 0.00 0.00 34.13 30.82 3k1d s GLU 364 CO 0.86 0.21 1.65 -1.58 -1.33 0.00 0.00 175.26 175.08 3k1d s HIS 365 N -1.92 2.51 0.76 4.83 5.65 0.02 -4.56 115.29 122.58 3k1d s HIS 365 Ca 0.52 0.34 -0.06 0.00 0.25 0.00 0.00 55.06 56.11 3k1d s HIS 365 Cb -0.11 -3.98 0.11 0.00 -1.18 0.00 0.00 32.58 27.43 3k1d s HIS 365 CO 0.19 -3.88 1.07 -1.12 -0.65 0.00 0.00 174.74 170.35 3k1d s SER 366 N 2.20 4.28 0.34 9.88 0.01 -1.26 -4.85 113.70 124.30 3k1d s SER 366 Ca 0.74 0.12 -0.14 0.00 1.31 0.00 0.00 55.95 57.98 3k1d s SER 366 Cb -0.41 -0.55 0.03 0.00 0.21 0.00 0.00 66.02 65.30 3k1d s SER 366 CO 0.32 -1.93 0.67 1.51 0.41 0.00 0.00 173.24 174.22 3k1d s ASP 367 N -4.67 0.13 0.61 2.44 1.47 -1.26 -5.16 116.67 110.24 3k1d s ASP 367 Ca 0.65 -1.09 -0.18 0.00 1.18 0.00 0.00 52.55 53.12 3k1d s ASP 367 Cb -0.07 0.75 -0.13 0.00 -0.34 0.00 0.00 42.92 43.12 3k1d s ASP 367 CO 0.46 -1.47 -0.13 -2.65 0.68 0.00 0.00 175.17 172.07 3k1d n PRO 368 N -0.50 0.07 0.00 2.11 -0.02 -1.26 -4.98 135.00 130.41 3k1d n PRO 368 Ca -0.05 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 3k1d n PRO 368 Cb 0.60 -1.13 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 3k1d n PRO 368 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3k1d n LYS 369 N 1.34 0.85 -1.72 -0.52 2.85 -1.26 -4.94 118.16 114.76 3k1d n LYS 369 Ca 0.07 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.90 3k1d n LYS 369 Cb 0.49 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.86 3k1d n LYS 369 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3k1d n ARG 370 N -0.11 2.30 0.00 -1.58 1.74 -1.26 -4.91 116.66 112.84 3k1d n ARG 370 Ca 0.00 0.81 0.00 0.00 -0.77 0.00 0.00 57.85 57.89 3k1d n ARG 370 Cb 0.00 -2.45 0.00 0.00 -1.02 0.00 0.00 32.46 28.99 3k1d n ARG 370 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k1d n GLY 371 N 0.98 1.15 0.00 -0.13 0.00 -1.26 -5.11 105.19 100.81 3k1d n GLY 371 Ca 0.05 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.41 3k1d n GLY 371 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3k1d n GLU 372 N -1.65 0.00 0.00 1.61 0.28 -1.26 -4.89 120.64 114.73 3k1d n GLU 372 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3k1d n GLU 372 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 3k1d n GLU 372 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3k1d n GLN 373 N 0.00 0.00 -2.71 3.44 1.13 -1.26 -4.09 117.38 113.90 3k1d n GLN 373 Ca 0.00 0.00 -0.39 0.00 -1.94 0.00 0.00 57.00 54.67 3k1d n GLN 373 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.36 3k1d n GLN 373 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3k1d n LEU 374 N 0.00 6.94 -4.14 1.08 4.77 -1.26 -4.96 117.00 119.44 3k1d n LEU 374 Ca 0.00 -5.41 -0.35 0.00 -0.03 0.00 0.00 56.01 50.22 3k1d n LEU 374 Cb 0.00 -1.10 -0.13 0.00 -2.33 0.00 0.00 43.42 39.85 3k1d n LEU 374 CO 0.00 2.06 -0.30 -1.81 -1.33 0.00 0.00 177.39 176.01 3k1d s ASP 375 N -1.63 4.97 0.09 -1.43 1.11 -1.26 -5.07 116.67 113.46 3k1d s ASP 375 Ca 0.40 -1.58 0.01 0.00 0.18 0.00 0.00 52.55 51.55 3k1d s ASP 375 Cb 0.19 -1.73 0.01 0.00 1.07 0.00 0.00 42.92 42.45 3k1d s ASP 375 CO -0.11 -0.35 0.05 -2.67 1.18 0.00 0.00 175.17 173.26 3k1d n TRP 376 N 4.57 -0.86 0.00 4.23 2.14 -1.26 -5.09 117.44 121.17 3k1d n TRP 376 Ca -0.08 -0.40 0.00 0.00 2.07 0.00 0.00 57.50 59.08 3k1d n TRP 376 Cb 0.43 -0.07 0.00 0.00 -0.81 0.00 0.00 31.31 30.86 3k1d n TRP 376 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 3k1d n GLY 377 N 3.91 1.20 2.92 -1.67 0.00 -1.26 -5.01 105.19 105.27 3k1d n GLY 377 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.00 3k1d n GLY 377 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3k1d n THR 378 N 0.00 -7.66 -2.62 2.61 -1.04 -1.26 -4.87 114.28 99.45 3k1d n THR 378 Ca 0.00 1.29 -0.43 0.00 -2.04 0.00 0.00 64.05 62.87 3k1d n THR 378 Cb 0.00 -5.17 -0.02 0.00 -1.82 0.00 0.00 70.33 63.32 3k1d n THR 378 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3k1d s TYR 379 N -1.27 3.25 0.07 -1.42 1.51 -1.26 -5.03 117.35 113.20 3k1d s TYR 379 Ca -0.02 1.39 0.06 0.00 -1.01 0.00 0.00 57.07 57.49 3k1d s TYR 379 Cb 0.00 -3.32 -0.03 0.00 -0.11 0.00 0.00 41.96 38.51 3k1d s TYR 379 CO 0.44 -0.69 -0.16 0.14 -1.11 0.00 0.00 175.55 174.17 3k1d s VAL 380 N 3.26 1.29 0.51 0.71 -7.23 -1.26 -3.96 120.40 113.71 3k1d s VAL 380 Ca 0.46 -1.26 -0.23 0.00 -1.81 0.00 0.00 61.98 59.14 3k1d s VAL 380 Cb -0.16 -1.19 -0.06 0.00 0.56 0.00 0.00 36.38 35.53 3k1d s VAL 380 CO 0.08 -0.08 1.37 -0.36 -0.31 0.00 0.00 175.10 175.79 3k1d s PHE 381 N -1.08 2.37 -1.13 2.82 0.08 -1.26 -0.80 117.98 118.97 3k1d s PHE 381 Ca 0.02 1.35 -0.16 0.00 0.12 0.00 0.00 56.93 58.25 3k1d s PHE 381 Cb -0.09 -3.82 0.14 0.00 -0.57 0.00 0.00 43.02 38.67 3k1d s PHE 381 CO 0.02 -2.85 1.39 0.34 -0.10 0.00 0.00 175.22 174.03 3k1d s ASP 382 N -0.83 6.87 0.24 1.36 -1.08 0.39 -4.35 116.67 119.27 3k1d s ASP 382 Ca 0.68 -2.54 0.16 0.00 -0.52 0.00 0.00 52.55 50.33 3k1d s ASP 382 Cb -0.41 -2.44 0.88 0.00 -1.46 0.00 0.00 42.92 39.49 3k1d s ASP 382 CO 0.50 -0.95 1.50 0.49 0.52 0.00 0.00 175.17 177.23 3k1d n PHE 383 N 6.53 0.55 0.54 -5.34 3.72 -1.26 -1.15 117.46 121.06 3k1d n PHE 383 Ca 0.35 0.28 0.13 0.00 -0.05 0.00 0.00 57.45 58.16 3k1d n PHE 383 Cb 0.46 -0.95 0.37 0.00 -0.94 0.00 0.00 39.48 38.41 3k1d n PHE 383 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3k1d h GLY 384 N 0.13 0.00 -6.68 1.37 0.00 -1.88 -3.43 103.07 92.59 3k1d h GLY 384 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 3k1d h GLY 384 CO 0.00 0.00 0.03 -1.60 0.00 0.00 0.00 176.54 174.97 3k1d s ARG 385 N -3.13 4.09 0.24 4.80 3.52 -0.30 -4.98 118.95 123.19 3k1d s ARG 385 Ca 0.10 0.39 -0.13 0.00 -0.13 0.00 0.00 55.73 55.95 3k1d s ARG 385 Cb 0.11 -3.65 0.32 0.00 -1.56 0.00 0.00 34.95 30.17 3k1d s ARG 385 CO 0.60 -0.36 1.57 -1.35 -0.81 0.00 0.00 175.30 174.96 3k1d h PRO 386 N 7.95 -0.02 -0.15 5.12 0.11 -1.87 0.11 132.00 143.24 3k1d h PRO 386 Ca -0.29 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.72 3k1d h PRO 386 Cb 1.14 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3k1d h PRO 386 CO 0.73 -0.02 -0.37 0.93 -0.21 0.00 0.00 178.00 179.06 3k1d h GLU 387 N -0.02 0.32 -0.10 1.05 3.07 -1.84 0.37 114.58 117.43 3k1d h GLU 387 Ca 0.38 -0.14 -0.10 0.00 -0.50 0.00 0.00 59.36 59.00 3k1d h GLU 387 Cb 0.62 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.53 3k1d h GLU 387 CO -0.91 0.65 -0.33 0.28 -1.40 0.00 0.00 179.01 177.31 3k1d h VAL 388 N 0.27 1.39 -0.72 3.13 2.07 -1.46 0.05 116.25 120.98 3k1d h VAL 388 Ca 0.03 -1.67 0.04 0.00 0.82 0.00 0.00 66.70 65.92 3k1d h VAL 388 Cb 0.79 2.19 -0.05 0.00 -1.52 0.00 0.00 31.29 32.70 3k1d h VAL 388 CO 0.06 0.49 0.45 -0.09 0.02 0.00 0.00 177.57 178.50 3k1d h ARG 389 N -0.05 0.84 -0.69 1.57 2.43 -0.74 -1.57 114.38 116.17 3k1d h ARG 389 Ca -0.01 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.05 3k1d h ARG 389 Cb 0.95 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.28 3k1d h ARG 389 CO 0.07 0.56 0.23 -0.97 -1.51 0.00 0.00 179.97 178.34 3k1d h ASN 390 N 0.87 0.99 -0.70 -3.80 -0.73 -0.81 0.17 115.58 111.58 3k1d h ASN 390 Ca 0.30 -0.20 0.10 0.00 1.87 0.00 0.00 56.30 58.36 3k1d h ASN 390 Cb 0.05 -0.26 -0.07 0.00 0.27 0.00 0.00 38.32 38.30 3k1d h ASN 390 CO -0.12 0.93 0.32 0.15 -0.37 0.00 0.00 177.43 178.34 3k1d h PHE 391 N 1.00 0.58 0.02 0.67 3.57 -0.06 -0.71 116.94 122.01 3k1d h PHE 391 Ca 0.22 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.69 3k1d h PHE 391 Cb 0.28 -0.15 0.01 0.00 2.79 0.00 0.00 35.95 38.88 3k1d h PHE 391 CO 0.02 0.18 -0.25 -0.07 -2.23 0.00 0.00 178.31 175.97 3k1d h LEU 392 N 0.55 0.19 -0.63 0.59 3.38 -0.87 -3.02 115.31 115.49 3k1d h LEU 392 Ca 0.35 -0.86 -0.00 0.00 0.09 0.00 0.00 57.88 57.46 3k1d h LEU 392 Cb 0.40 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3k1d h LEU 392 CO -0.29 1.02 0.38 0.58 0.09 0.00 0.00 178.44 180.22 3k1d h VAL 393 N -0.63 1.19 0.00 1.22 2.07 -0.59 -1.80 116.25 117.71 3k1d h VAL 393 Ca -0.04 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 3k1d h VAL 393 Cb 1.08 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3k1d h VAL 393 CO 0.05 0.19 -0.22 0.00 0.02 0.00 0.00 177.57 177.61 3k1d h ALA 394 N 1.19 1.35 -0.30 1.67 0.00 -1.26 -2.40 119.26 119.51 3k1d h ALA 394 Ca 0.22 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3k1d h ALA 394 Cb -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3k1d h ALA 394 CO -0.04 0.28 -0.41 -0.97 0.00 0.00 0.00 179.25 178.10 3k1d h ASN 395 N 0.00 0.79 -0.09 0.00 -1.24 -1.21 0.30 115.58 114.14 3k1d h ASN 395 Ca -0.00 -0.37 -0.00 0.00 0.71 0.00 0.00 56.30 56.64 3k1d h ASN 395 Cb 0.48 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 39.30 3k1d h ASN 395 CO 0.03 1.10 0.04 0.00 -1.29 0.00 0.00 177.43 177.32 3k1d h ALA 396 N 0.93 0.12 -0.84 1.57 0.00 -0.96 -2.17 119.26 117.91 3k1d h ALA 396 Ca 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3k1d h ALA 396 Cb 0.97 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3k1d h ALA 396 CO 0.09 -0.32 0.47 -0.07 0.00 0.00 0.00 179.25 179.42 3k1d h LEU 397 N 0.03 1.03 -0.03 0.00 3.38 -1.24 -2.69 115.31 115.78 3k1d h LEU 397 Ca 0.03 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.96 3k1d h LEU 397 Cb 0.11 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 3k1d h LEU 397 CO -0.00 0.82 -0.31 0.22 0.09 0.00 0.00 178.44 179.25 3k1d h TYR 398 N 1.17 -0.85 -0.42 1.13 3.20 0.04 0.21 116.97 121.44 3k1d h TYR 398 Ca 0.30 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.15 3k1d h TYR 398 Cb 0.00 0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 3k1d h TYR 398 CO 0.01 -0.40 0.08 -1.49 -1.64 0.00 0.00 178.16 174.71 3k1d h TRP 399 N -0.44 0.66 -0.17 -3.82 4.06 -1.23 0.23 115.95 115.24 3k1d h TRP 399 Ca 0.07 -0.06 -0.18 0.00 2.06 0.00 0.00 58.89 60.79 3k1d h TRP 399 Cb 0.54 -0.20 -0.00 0.00 -1.00 0.00 0.00 29.16 28.51 3k1d h TRP 399 CO -0.35 0.59 -0.62 -0.07 -3.56 0.00 0.00 178.44 174.43 3k1d h LEU 400 N 0.62 0.67 0.06 -4.49 3.38 -1.10 -2.40 115.31 112.05 3k1d h LEU 400 Ca 0.14 -0.39 -0.37 0.00 0.09 0.00 0.00 57.88 57.35 3k1d h LEU 400 Cb 0.28 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3k1d h LEU 400 CO 0.00 1.13 -2.23 0.00 0.09 0.00 0.00 178.44 177.42 3k1d n GLN 401 N -3.94 0.70 0.11 1.13 6.02 0.01 -3.00 117.38 118.42 3k1d n GLN 401 Ca -0.04 0.20 0.03 0.00 -0.01 0.00 0.00 57.00 57.18 3k1d n GLN 401 Cb 0.65 -1.61 0.00 0.00 1.02 0.00 0.00 30.24 30.29 3k1d n GLN 401 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3k1d h GLU 402 N 0.03 0.00 0.00 -1.09 4.39 -0.71 -3.35 114.58 113.86 3k1d h GLU 402 Ca -0.50 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.20 3k1d h GLU 402 Cb 1.98 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.63 3k1d h GLU 402 CO 0.00 0.40 0.00 1.19 -1.16 0.00 0.00 179.01 179.44 3k1d n PHE 403 N -3.11 0.00 -1.80 4.33 3.72 -1.03 -5.00 117.46 114.57 3k1d n PHE 403 Ca -0.01 -0.39 -0.17 0.00 -0.05 0.00 0.00 57.45 56.83 3k1d n PHE 403 Cb 0.74 -0.04 -0.05 0.00 -0.94 0.00 0.00 39.48 39.19 3k1d n PHE 403 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3k1d n HIS 404 N -0.39 -0.53 -1.82 1.38 8.25 -1.15 -4.93 115.22 116.04 3k1d n HIS 404 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 3k1d n HIS 404 Cb 0.22 -3.14 -0.01 0.00 1.12 0.00 0.00 29.99 28.18 3k1d n HIS 404 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3k1d s ILE 405 N -2.56 2.13 -0.73 1.59 -1.09 -0.93 -4.92 121.20 114.69 3k1d s ILE 405 Ca 0.00 0.12 0.24 0.00 -2.23 0.00 0.00 60.65 58.78 3k1d s ILE 405 Cb 0.00 -3.08 0.04 0.00 -1.58 0.00 0.00 42.46 37.84 3k1d s ILE 405 CO 0.00 0.02 1.35 0.47 -1.23 0.00 0.00 174.94 175.55 3k1d n ASP 406 N 1.52 0.63 -3.60 3.58 8.00 0.28 -4.52 116.55 122.43 3k1d n ASP 406 Ca 0.05 0.04 -0.07 0.00 0.71 0.00 0.00 54.79 55.52 3k1d n ASP 406 Cb 0.38 0.18 -0.02 0.00 -0.02 0.00 0.00 41.12 41.65 3k1d n ASP 406 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3k1d s GLY 407 N -3.49 -0.39 -0.03 0.44 0.00 -1.02 -1.48 107.32 101.34 3k1d s GLY 407 Ca 0.07 0.56 0.01 0.00 0.00 0.00 0.00 44.72 45.36 3k1d s GLY 407 CO 0.71 0.17 -0.04 1.08 0.00 0.00 0.00 173.10 175.02 3k1d s LEU 408 N -2.70 1.47 -0.18 0.66 1.43 -0.02 -1.67 118.68 117.66 3k1d s LEU 408 Ca 0.07 -0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 53.04 3k1d s LEU 408 Cb -0.01 -0.39 -0.01 0.00 0.03 0.00 0.00 46.19 45.81 3k1d s LEU 408 CO -0.05 -0.03 -0.10 -0.60 0.23 0.00 0.00 176.35 175.80 3k1d s ARG 409 N 0.68 3.31 -0.28 1.70 3.52 -0.78 0.42 118.95 127.53 3k1d s ARG 409 Ca -0.09 -0.68 -0.10 0.00 -0.13 0.00 0.00 55.73 54.73 3k1d s ARG 409 Cb -0.12 -2.79 -0.04 0.00 -1.56 0.00 0.00 34.95 30.44 3k1d s ARG 409 CO -0.00 -0.05 0.15 0.08 -0.81 0.00 0.00 175.30 174.67 3k1d s VAL 410 N 1.03 4.93 0.61 7.11 1.01 0.12 -0.88 120.40 134.33 3k1d s VAL 410 Ca -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 3k1d s VAL 410 Cb -0.15 -3.36 0.05 0.00 0.00 0.00 0.00 36.38 32.92 3k1d s VAL 410 CO -0.02 0.25 0.86 1.51 0.00 0.00 0.00 175.10 177.71 3k1d s ASP 411 N 1.70 5.03 -1.72 3.32 -4.77 -1.26 -1.54 116.67 117.43 3k1d s ASP 411 Ca 0.07 0.06 -0.15 0.00 -3.30 0.00 0.00 52.55 49.22 3k1d s ASP 411 Cb -0.16 -0.81 0.14 0.00 -1.09 0.00 0.00 42.92 41.00 3k1d s ASP 411 CO 0.08 -1.36 0.53 0.00 0.70 0.00 0.00 175.17 175.13 3k1d n ALA 412 N -2.56 -1.46 0.09 2.11 0.00 -1.23 -4.70 120.51 112.77 3k1d n ALA 412 Ca 0.09 -0.19 0.03 0.00 0.00 0.00 0.00 53.44 53.38 3k1d n ALA 412 Cb 0.60 -2.42 0.43 0.00 0.00 0.00 0.00 19.45 18.06 3k1d n ALA 412 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3k1d h VAL 413 N -1.35 1.13 -0.78 0.00 2.07 -1.67 -2.21 116.25 113.45 3k1d h VAL 413 Ca -0.61 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 66.45 3k1d h VAL 413 Cb 1.39 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 3k1d h VAL 413 CO 0.80 0.17 0.51 0.00 0.02 0.00 0.00 177.57 179.07 3k1d h ALA 414 N 1.71 1.50 0.00 1.67 0.00 -1.88 0.11 119.26 122.37 3k1d h ALA 414 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3k1d h ALA 414 Cb 0.18 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3k1d h ALA 414 CO 0.00 0.43 0.00 -1.13 0.00 0.00 0.00 179.25 178.55 3k1d n SER 415 N -4.44 0.66 -0.03 0.00 3.41 -0.83 -2.29 113.62 110.10 3k1d n SER 415 Ca 0.10 0.69 -0.18 0.00 -0.26 0.00 0.00 58.87 59.22 3k1d n SER 415 Cb 0.09 -0.82 -0.14 0.00 -0.26 0.00 0.00 64.21 63.08 3k1d n SER 415 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3k1d n MET 416 N -2.26 0.72 0.15 4.33 2.81 0.28 -4.34 117.12 118.80 3k1d n MET 416 Ca 0.01 0.23 0.13 0.00 -1.81 0.00 0.00 57.70 56.26 3k1d n MET 416 Cb 0.19 -1.67 0.41 0.00 -0.71 0.00 0.00 33.22 31.43 3k1d n MET 416 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3k1d h LEU 417 N 0.04 0.00 -8.47 4.03 3.38 -0.98 -3.43 115.31 109.88 3k1d h LEU 417 Ca -0.44 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 56.87 3k1d h LEU 417 Cb 2.02 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 42.46 3k1d h LEU 417 CO 0.05 0.00 -0.87 -0.31 0.09 0.00 0.00 178.44 177.39 3k1d s TYR 418 N -3.23 2.17 -0.90 1.13 2.02 -0.97 -0.93 117.35 116.64 3k1d s TYR 418 Ca 0.07 -0.53 0.22 0.00 -0.37 0.00 0.00 57.07 56.47 3k1d s TYR 418 Cb 0.10 -1.41 -0.10 0.00 -0.40 0.00 0.00 41.96 40.15 3k1d s TYR 418 CO 0.56 -0.12 0.96 1.28 -1.57 0.00 0.00 175.55 176.66 3k1d n LEU 419 N 2.75 0.82 -2.20 -1.29 4.77 -0.64 -4.85 117.00 116.34 3k1d n LEU 419 Ca -0.17 -0.34 -0.20 0.00 -0.03 0.00 0.00 56.01 55.27 3k1d n LEU 419 Cb 0.52 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.58 3k1d n LEU 419 CO 0.24 0.19 -0.73 -0.90 -1.33 0.00 0.00 177.39 174.87 3k1d n ASP 420 N -1.60 -3.29 0.00 -1.43 3.85 -1.26 -5.06 116.55 107.76 3k1d n ASP 420 Ca 0.03 0.11 0.00 0.00 -0.71 0.00 0.00 54.79 54.22 3k1d n ASP 420 Cb 0.36 -0.42 0.00 0.00 -1.35 0.00 0.00 41.12 39.71 3k1d n ASP 420 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3k1d n TYR 421 N -1.36 0.00 -1.47 2.11 9.36 -1.26 -5.17 117.16 119.37 3k1d n TYR 421 Ca -0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.21 3k1d n TYR 421 Cb 0.31 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.02 3k1d n TYR 421 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3k1d n SER 422 N 0.00 -3.79 -4.44 2.98 2.88 -1.26 -4.85 113.62 105.13 3k1d n SER 422 Ca 0.00 0.82 -0.44 0.00 -1.33 0.00 0.00 58.87 57.93 3k1d n SER 422 Cb 0.00 -3.03 -0.08 0.00 -0.75 0.00 0.00 64.21 60.35 3k1d n SER 422 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3k1d s ARG 423 N -2.41 3.06 0.87 -1.46 1.70 -1.26 -5.06 118.95 114.39 3k1d s ARG 423 Ca 0.00 -1.00 -0.14 0.00 -0.47 0.00 0.00 55.73 54.12 3k1d s ARG 423 Cb 0.00 -4.06 0.00 0.00 -0.57 0.00 0.00 34.95 30.32 3k1d s ARG 423 CO 0.00 -1.01 0.40 -2.30 -1.08 0.00 0.00 175.30 171.30 3k1d n PRO 424 N 5.63 -0.06 -4.09 3.89 -0.02 -1.26 -5.05 135.00 134.03 3k1d n PRO 424 Ca -0.09 0.03 -0.15 0.00 -2.02 0.00 0.00 63.50 61.26 3k1d n PRO 424 Cb 0.46 -1.81 -0.15 0.00 -0.02 0.00 0.00 33.50 31.98 3k1d n PRO 424 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3k1d s GLU 425 N -3.24 0.36 0.00 -0.52 2.02 -1.26 -4.77 118.70 111.29 3k1d s GLU 425 Ca 0.59 -0.13 0.00 0.00 0.02 0.00 0.00 54.97 55.45 3k1d s GLU 425 Cb -0.26 -0.37 0.00 0.00 0.10 0.00 0.00 34.13 33.60 3k1d s GLU 425 CO 0.65 0.06 0.00 0.41 0.02 0.00 0.00 175.26 176.40 3k1d n GLY 426 N 3.13 3.31 3.18 -1.39 0.00 -1.26 -5.00 105.19 107.16 3k1d n GLY 426 Ca -0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 3k1d n GLY 426 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k1d s GLY 427 N -2.93 2.22 -0.51 -0.02 0.00 -1.26 -4.93 107.32 99.89 3k1d s GLY 427 Ca 0.00 -2.81 0.02 0.00 0.00 0.00 0.00 44.72 41.93 3k1d s GLY 427 CO 0.00 1.11 1.95 0.79 0.00 0.00 0.00 173.10 176.95 3k1d n TRP 428 N 4.40 3.11 -4.44 1.90 8.01 -1.26 -4.93 117.44 124.22 3k1d n TRP 428 Ca -0.01 -2.17 -0.21 0.00 -1.31 0.00 0.00 57.50 53.80 3k1d n TRP 428 Cb 0.41 -1.08 -0.15 0.00 -2.01 0.00 0.00 31.31 28.47 3k1d n TRP 428 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 3k1d s THR 429 N -3.72 0.86 -0.14 -0.99 -4.23 -1.26 -5.12 115.64 101.04 3k1d s THR 429 Ca 0.59 -0.40 -0.29 0.00 -1.18 0.00 0.00 61.69 60.40 3k1d s THR 429 Cb 0.49 -0.75 -0.03 0.00 1.34 0.00 0.00 72.50 73.54 3k1d s THR 429 CO 0.08 0.26 1.49 -2.84 -0.54 0.00 0.00 174.62 173.07 3k1d s PRO 430 N 0.15 4.11 -0.17 3.99 0.02 -1.26 -5.01 135.00 136.83 3k1d s PRO 430 Ca -0.03 1.85 0.01 0.00 0.02 0.00 0.00 61.00 62.85 3k1d s PRO 430 Cb -0.09 -3.91 0.02 0.00 0.02 0.00 0.00 34.50 30.55 3k1d s PRO 430 CO 0.01 -0.89 -0.18 -0.80 -0.33 0.00 0.00 177.00 174.81 3k1d s ASN 431 N 2.98 3.01 0.00 2.53 0.01 -1.26 -5.08 114.94 117.13 3k1d s ASN 431 Ca 0.65 -0.62 0.00 0.00 -0.71 0.00 0.00 52.86 52.19 3k1d s ASN 431 Cb -0.27 -1.38 0.00 0.00 0.41 0.00 0.00 41.25 40.02 3k1d s ASN 431 CO 0.24 -0.03 0.00 0.52 -1.51 0.00 0.00 177.10 176.32 3k1d n VAL 432 N 4.67 0.00 0.00 1.60 0.31 -1.26 -4.83 118.33 118.82 3k1d n VAL 432 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3k1d n VAL 432 Cb 0.50 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 3k1d n VAL 432 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 3k1d n HIS 433 N 0.00 0.00 -3.57 3.52 -0.00 -1.26 -3.48 115.22 110.43 3k1d n HIS 433 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.35 3k1d n HIS 433 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 29.94 3k1d n HIS 433 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3k1d n GLY 434 N 0.00 4.19 2.14 1.57 0.00 -1.26 -5.07 105.19 106.75 3k1d n GLY 434 Ca 0.00 -2.60 -0.18 0.00 0.00 0.00 0.00 46.02 43.23 3k1d n GLY 434 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1d n GLY 435 N 2.27 -3.43 0.00 -0.02 0.00 -1.23 -4.85 105.19 97.94 3k1d n GLY 435 Ca 0.23 -1.11 0.13 0.00 0.00 0.00 0.00 46.02 45.26 3k1d n GLY 435 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k1d n ARG 436 N -3.82 0.60 -2.60 1.61 1.74 -1.26 -4.82 116.66 108.11 3k1d n ARG 436 Ca 0.08 0.02 -0.43 0.00 -0.77 0.00 0.00 57.85 56.76 3k1d n ARG 436 Cb 0.36 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.28 3k1d n ARG 436 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3k1d s GLU 437 N -2.31 4.37 -0.91 5.56 2.02 -1.26 -1.63 118.70 124.55 3k1d s GLU 437 Ca 0.32 1.49 -0.23 0.00 0.02 0.00 0.00 54.97 56.58 3k1d s GLU 437 Cb 0.18 -3.57 0.06 0.00 0.10 0.00 0.00 34.13 30.91 3k1d s GLU 437 CO 0.36 -0.42 1.30 1.21 0.02 0.00 0.00 175.26 177.74 3k1d s ASN 438 N 1.28 6.43 0.52 -0.19 3.84 -0.10 -4.85 114.94 121.86 3k1d s ASN 438 Ca 0.51 -1.33 0.22 0.00 0.21 0.00 0.00 52.86 52.46 3k1d s ASN 438 Cb -0.20 -2.52 1.34 0.00 -0.55 0.00 0.00 41.25 39.32 3k1d s ASN 438 CO 0.18 -1.47 2.03 -0.07 -2.79 0.00 0.00 177.10 174.97 3k1d h LEU 439 N 12.20 0.03 -0.23 3.21 4.07 -1.94 -1.74 115.31 130.92 3k1d h LEU 439 Ca 0.05 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.95 3k1d h LEU 439 Cb 1.03 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.75 3k1d h LEU 439 CO 1.31 0.02 -0.11 -0.33 -1.08 0.00 0.00 178.44 178.25 3k1d h GLU 440 N 0.04 0.49 -0.68 1.13 3.07 -1.92 -1.49 114.58 115.21 3k1d h GLU 440 Ca 0.20 -0.21 -0.04 0.00 -0.50 0.00 0.00 59.36 58.81 3k1d h GLU 440 Cb 0.75 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.61 3k1d h GLU 440 CO -0.01 0.75 0.27 0.00 -1.40 0.00 0.00 179.01 178.63 3k1d h ALA 441 N 0.72 0.88 -0.33 3.43 0.00 -1.63 -0.21 119.26 122.12 3k1d h ALA 441 Ca 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3k1d h ALA 441 Cb 0.60 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3k1d h ALA 441 CO 0.03 0.50 0.22 0.28 0.00 0.00 0.00 179.25 180.28 3k1d h VAL 442 N 0.96 1.08 -0.54 0.00 2.07 -1.32 0.11 116.25 118.61 3k1d h VAL 442 Ca 0.23 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.54 3k1d h VAL 442 Cb 0.20 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3k1d h VAL 442 CO -0.02 0.08 0.11 -0.61 0.02 0.00 0.00 177.57 177.15 3k1d h GLN 443 N 0.44 0.84 0.02 1.57 -0.00 -0.96 -1.50 115.11 115.53 3k1d h GLN 443 Ca 0.12 -0.18 -0.00 0.00 -0.00 0.00 0.00 58.65 58.59 3k1d h GLN 443 Cb -0.05 -0.12 0.00 0.00 0.00 0.00 0.00 27.48 27.31 3k1d h GLN 443 CO -0.03 0.77 -0.01 0.35 0.00 0.00 0.00 178.83 179.91 3k1d h PHE 444 N 0.80 -0.03 -0.51 3.99 3.57 -0.51 -1.62 116.94 122.64 3k1d h PHE 444 Ca 0.17 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 3k1d h PHE 444 Cb 0.32 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 3k1d h PHE 444 CO 0.02 0.20 0.21 -0.07 -2.23 0.00 0.00 178.31 176.44 3k1d h LEU 445 N -0.25 0.65 -0.44 0.59 3.38 -0.81 -0.14 115.31 118.29 3k1d h LEU 445 Ca -0.00 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 3k1d h LEU 445 Cb 0.24 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3k1d h LEU 445 CO 0.01 0.58 -0.05 1.56 0.09 0.00 0.00 178.44 180.63 3k1d h GLN 446 N 0.72 0.81 -0.29 1.13 4.20 -1.16 -1.80 115.11 118.71 3k1d h GLN 446 Ca 0.17 -0.29 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 3k1d h GLN 446 Cb 0.13 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3k1d h GLN 446 CO -0.02 0.90 0.04 1.49 -0.67 0.00 0.00 178.83 180.57 3k1d h GLU 447 N 0.65 0.49 -0.28 1.46 4.81 -0.88 -0.64 114.58 120.19 3k1d h GLU 447 Ca 0.12 -0.13 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 3k1d h GLU 447 Cb 0.57 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 3k1d h GLU 447 CO 0.03 0.60 0.08 1.98 -0.73 0.00 0.00 179.01 180.97 3k1d h MET 448 N 0.30 0.18 -0.04 1.92 4.05 -0.97 0.46 114.93 120.84 3k1d h MET 448 Ca 0.09 -0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.49 3k1d h MET 448 Cb 0.35 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.11 3k1d h MET 448 CO 0.01 0.12 0.01 -0.91 0.23 0.00 0.00 176.91 176.37 3k1d h ASN 449 N 0.19 0.06 -0.48 1.39 -0.26 -1.22 -0.58 115.58 114.67 3k1d h ASN 449 Ca 0.13 -0.25 -0.00 0.00 -0.56 0.00 0.00 56.30 55.62 3k1d h ASN 449 Cb 0.11 -0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 37.33 3k1d h ASN 449 CO -0.15 0.29 0.30 0.00 -1.06 0.00 0.00 177.43 176.81 3k1d h ALA 450 N 0.77 0.62 -0.33 -0.83 0.00 -1.00 -1.58 119.26 116.91 3k1d h ALA 450 Ca 0.01 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3k1d h ALA 450 Cb 0.26 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3k1d h ALA 450 CO 0.00 0.09 -0.08 1.15 0.00 0.00 0.00 179.25 180.41 3k1d h THR 451 N 0.65 1.28 0.37 0.00 2.02 -0.88 -2.12 112.91 114.22 3k1d h THR 451 Ca 0.18 -1.14 -0.02 0.00 0.77 0.00 0.00 66.41 66.20 3k1d h THR 451 Cb -0.03 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 3k1d h THR 451 CO -0.03 0.37 -0.18 0.00 0.37 0.00 0.00 175.52 176.05 3k1d h ALA 452 N 0.80 -0.49 0.00 6.16 0.00 -0.97 -0.16 119.26 124.60 3k1d h ALA 452 Ca 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3k1d h ALA 452 Cb 0.58 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3k1d h ALA 452 CO 0.03 -0.74 -0.05 0.45 0.00 0.00 0.00 179.25 178.94 3k1d h HIS 453 N -0.56 0.00 0.02 0.00 3.86 -1.34 0.12 115.15 117.26 3k1d h HIS 453 Ca -0.05 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.10 3k1d h HIS 453 Cb 0.42 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.90 3k1d h HIS 453 CO -0.03 0.05 -0.25 -0.22 0.86 0.00 0.00 177.93 178.33 3k1d h LYS 454 N 0.00 0.13 -0.08 2.45 3.64 -0.99 -3.14 116.57 118.57 3k1d h LYS 454 Ca -0.00 -0.17 -0.17 0.00 -1.27 0.00 0.00 60.65 59.04 3k1d h LYS 454 Cb 0.16 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 3k1d h LYS 454 CO 0.01 0.99 -0.67 0.28 -2.27 0.00 0.00 179.45 177.79 3k1d h VAL 455 N -0.65 1.38 -2.27 2.00 2.07 -0.69 -3.38 116.25 114.71 3k1d h VAL 455 Ca -0.04 -2.07 -0.59 0.00 0.82 0.00 0.00 66.70 64.82 3k1d h VAL 455 Cb 1.10 2.05 -0.40 0.00 -1.52 0.00 0.00 31.29 32.52 3k1d h VAL 455 CO 0.05 0.62 -0.84 0.00 0.02 0.00 0.00 177.57 177.42 3k1d n ALA 456 N -2.49 3.19 -1.64 1.67 0.00 0.39 -5.10 120.51 116.53 3k1d n ALA 456 Ca -0.03 -3.98 -0.44 0.00 0.00 0.00 0.00 53.44 48.99 3k1d n ALA 456 Cb 0.67 -0.86 -0.01 0.00 0.00 0.00 0.00 19.45 19.24 3k1d n ALA 456 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3k1d n PRO 457 N 1.50 1.74 0.00 0.00 -0.02 -1.19 -2.58 135.00 134.46 3k1d n PRO 457 Ca 0.25 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 3k1d n PRO 457 Cb 0.46 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 3k1d n PRO 457 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k1d n GLY 458 N 1.08 0.56 3.91 -1.23 0.00 -1.26 -3.98 105.19 104.27 3k1d n GLY 458 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 3k1d n GLY 458 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3k1d s ILE 459 N -2.17 2.74 0.02 -0.61 -5.25 -1.07 -4.67 121.20 110.19 3k1d s ILE 459 Ca 0.00 -0.03 0.05 0.00 -0.99 0.00 0.00 60.65 59.68 3k1d s ILE 459 Cb 0.00 -3.18 -0.02 0.00 2.95 0.00 0.00 42.46 42.21 3k1d s ILE 459 CO 0.00 -0.21 -0.15 0.68 -1.79 0.00 0.00 174.94 173.47 3k1d s VAL 460 N -3.27 1.16 -0.09 8.37 -7.23 -0.55 -4.93 120.40 113.85 3k1d s VAL 460 Ca 0.59 -0.82 0.03 0.00 -1.81 0.00 0.00 61.98 59.96 3k1d s VAL 460 Cb -0.11 -1.01 -0.01 0.00 0.56 0.00 0.00 36.38 35.81 3k1d s VAL 460 CO 0.47 0.17 -0.18 0.42 -0.31 0.00 0.00 175.10 175.67 3k1d s THR 461 N -0.59 2.65 -0.02 5.32 -4.23 -1.26 -0.84 115.64 116.67 3k1d s THR 461 Ca 0.04 -0.83 0.06 0.00 -1.18 0.00 0.00 61.69 59.78 3k1d s THR 461 Cb -0.07 -2.06 -0.01 0.00 1.34 0.00 0.00 72.50 71.70 3k1d s THR 461 CO 0.00 0.55 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.82 3k1d s ILE 462 N 0.05 1.49 0.04 2.99 1.01 0.17 -0.88 121.20 126.06 3k1d s ILE 462 Ca -0.07 -0.80 0.08 0.00 0.00 0.00 0.00 60.65 59.86 3k1d s ILE 462 Cb -0.15 -1.25 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 3k1d s ILE 462 CO 0.05 0.42 -0.24 0.00 0.00 0.00 0.00 174.94 175.17 3k1d s ALA 463 N -0.38 2.05 -0.33 9.38 0.00 -0.40 0.12 121.76 132.20 3k1d s ALA 463 Ca 0.06 -1.17 -0.02 0.00 0.00 0.00 0.00 51.96 50.83 3k1d s ALA 463 Cb -0.08 -0.43 0.07 0.00 0.00 0.00 0.00 23.12 22.68 3k1d s ALA 463 CO -0.00 0.48 0.06 -2.00 0.00 0.00 0.00 175.76 174.29 3k1d s GLU 464 N -1.14 2.30 -0.18 0.00 -6.30 -0.59 -0.70 118.70 112.08 3k1d s GLU 464 Ca 0.10 -1.42 0.01 0.00 -2.50 0.00 0.00 54.97 51.16 3k1d s GLU 464 Cb -0.09 -3.30 0.02 0.00 0.00 0.00 0.00 34.13 30.76 3k1d s GLU 464 CO 0.02 -0.75 -0.19 -2.00 0.02 0.00 0.00 175.26 172.36 3k1d s GLU 465 N 1.22 3.02 0.00 4.30 2.56 -1.26 -2.24 118.70 126.30 3k1d s GLU 465 Ca -0.01 -0.81 0.25 0.00 0.00 0.00 0.00 54.97 54.39 3k1d s GLU 465 Cb -0.20 -2.60 0.48 0.00 2.00 0.00 0.00 34.13 33.80 3k1d s GLU 465 CO -0.02 -0.21 1.39 -1.13 -0.56 0.00 0.00 175.26 174.74 3k1d n SER 466 N 4.63 0.86 -4.98 -1.70 3.41 -1.26 -4.85 113.62 109.73 3k1d n SER 466 Ca -0.21 -0.66 -0.20 0.00 -0.26 0.00 0.00 58.87 57.54 3k1d n SER 466 Cb 0.50 0.31 0.03 0.00 -0.26 0.00 0.00 64.21 64.79 3k1d n SER 466 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3k1d s THR 467 N -2.78 2.75 -1.43 6.66 -4.23 -1.26 -4.97 115.64 110.39 3k1d s THR 467 Ca 0.16 -0.76 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 3k1d s THR 467 Cb 0.18 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 71.03 3k1d s THR 467 CO 0.64 0.00 0.40 -2.65 -0.54 0.00 0.00 174.62 172.47 3k1d n PRO 468 N -2.20 0.56 -1.71 3.99 -0.02 -1.26 -4.86 135.00 129.49 3k1d n PRO 468 Ca 0.08 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.13 3k1d n PRO 468 Cb 0.59 -1.16 -0.03 0.00 -0.02 0.00 0.00 33.50 32.89 3k1d n PRO 468 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 3k1d n TRP 469 N -0.09 2.69 -4.28 6.00 -0.00 -1.26 -4.99 117.44 115.50 3k1d n TRP 469 Ca 0.00 0.09 -0.23 0.00 -0.00 0.00 0.00 57.50 57.37 3k1d n TRP 469 Cb 0.08 -2.65 -0.07 0.00 -0.00 0.00 0.00 31.31 28.67 3k1d n TRP 469 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 3k1d s SER 470 N 1.06 4.59 0.00 5.87 1.04 -1.26 -4.61 113.70 120.40 3k1d s SER 470 Ca 0.75 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 56.55 3k1d s SER 470 Cb -0.53 -0.87 0.00 0.00 0.10 0.00 0.00 66.02 64.72 3k1d s SER 470 CO 0.35 -0.00 0.00 0.61 0.98 0.00 0.00 173.24 175.17 3k1d n GLY 471 N -0.91 0.43 0.26 7.32 0.00 -1.26 -4.92 105.19 106.12 3k1d n GLY 471 Ca -0.06 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.26 3k1d n GLY 471 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3k1d h VAL 472 N 0.00 0.87 -0.61 1.61 2.07 -1.93 -1.34 116.25 116.91 3k1d h VAL 472 Ca 0.00 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3k1d h VAL 472 Cb 0.00 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 3k1d h VAL 472 CO 0.00 0.11 0.00 0.35 0.02 0.00 0.00 177.57 178.05 3k1d n THR 473 N -4.86 2.28 -2.97 2.57 -2.24 -1.26 -2.32 114.28 105.49 3k1d n THR 473 Ca 0.10 -1.31 -0.38 0.00 -2.27 0.00 0.00 64.05 60.19 3k1d n THR 473 Cb 0.25 -0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.35 3k1d n THR 473 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3k1d s ARG 474 N -2.29 4.49 0.39 -0.78 3.52 -0.54 -4.68 118.95 119.06 3k1d s ARG 474 Ca 0.53 1.12 -0.26 0.00 -0.13 0.00 0.00 55.73 56.99 3k1d s ARG 474 Cb 0.37 -3.06 -0.11 0.00 -1.56 0.00 0.00 34.95 30.59 3k1d s ARG 474 CO 0.21 0.46 1.18 -2.30 -0.81 0.00 0.00 175.30 174.04 3k1d n PRO 475 N 1.13 1.77 0.04 5.12 -0.02 -1.26 -1.69 135.00 140.09 3k1d n PRO 475 Ca -0.03 0.63 0.05 0.00 -2.02 0.00 0.00 63.50 62.12 3k1d n PRO 475 Cb 0.50 -2.23 0.46 0.00 -0.02 0.00 0.00 33.50 32.21 3k1d n PRO 475 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3k1d h THR 476 N 2.05 1.09 0.00 3.45 2.02 -1.89 -1.63 112.91 118.00 3k1d h THR 476 Ca -0.46 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.55 3k1d h THR 476 Cb 1.31 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 3k1d h THR 476 CO 0.60 0.09 0.00 -0.46 0.37 0.00 0.00 175.52 176.12 3k1d n ASN 477 N -4.48 0.00 -0.47 4.18 0.23 -1.26 -2.34 115.26 111.11 3k1d n ASN 477 Ca 0.02 -0.14 0.03 0.00 -0.53 0.00 0.00 54.58 53.95 3k1d n ASN 477 Cb 0.07 -0.10 0.04 0.00 -2.08 0.00 0.00 39.78 37.71 3k1d n ASN 477 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 3k1d n ILE 478 N -1.10 0.48 0.00 1.53 -5.35 -0.88 -5.00 119.36 109.04 3k1d n ILE 478 Ca 0.06 -0.65 0.00 0.00 -0.27 0.00 0.00 62.75 61.89 3k1d n ILE 478 Cb 0.05 0.35 0.00 0.00 -1.74 0.00 0.00 39.64 38.29 3k1d n ILE 478 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3k1d n GLY 479 N -0.32 1.17 3.66 3.28 0.00 -0.99 -4.99 105.19 107.00 3k1d n GLY 479 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 3k1d n GLY 479 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k1d s GLY 480 N -2.26 1.57 0.09 -0.02 0.00 -0.67 -4.94 107.32 101.09 3k1d s GLY 480 Ca 0.00 -0.59 0.26 0.00 0.00 0.00 0.00 44.72 44.39 3k1d s GLY 480 CO 0.00 0.12 1.66 1.04 0.00 0.00 0.00 173.10 175.92 3k1d n LEU 481 N -4.35 0.49 0.00 0.66 4.77 -0.99 -4.15 117.00 113.42 3k1d n LEU 481 Ca 0.08 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.44 3k1d n LEU 481 Cb 0.58 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3k1d n LEU 481 CO 0.53 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 3k1d n GLY 482 N 1.41 0.78 3.77 -0.72 0.00 -0.68 -3.82 105.19 105.92 3k1d n GLY 482 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 3k1d n GLY 482 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k1d s PHE 483 N -2.89 2.84 0.05 1.61 0.08 -0.98 -4.79 117.98 113.90 3k1d s PHE 483 Ca 0.00 1.51 -0.18 0.00 0.12 0.00 0.00 56.93 58.39 3k1d s PHE 483 Cb 0.00 -3.44 -0.16 0.00 -0.57 0.00 0.00 43.02 38.85 3k1d s PHE 483 CO 0.00 -1.65 1.28 0.77 -0.10 0.00 0.00 175.22 175.52 3k1d h SER 484 N 2.13 0.60 -5.51 1.36 0.02 -1.32 -3.37 113.55 107.46 3k1d h SER 484 Ca -0.49 -0.59 -0.20 0.00 -0.84 0.00 0.00 61.79 59.67 3k1d h SER 484 Cb 1.25 -0.17 -0.13 0.00 0.14 0.00 0.00 62.40 63.48 3k1d h SER 484 CO 0.60 1.08 -0.49 -0.04 -1.14 0.00 0.00 176.83 176.85 3k1d s MET 485 N -3.90 1.30 0.03 3.45 -1.94 -0.83 -4.62 119.30 112.78 3k1d s MET 485 Ca -0.13 -1.54 -0.07 0.00 -1.71 0.00 0.00 55.69 52.24 3k1d s MET 485 Cb 0.06 0.32 -0.00 0.00 2.01 0.00 0.00 34.83 37.22 3k1d s MET 485 CO 0.81 -0.46 0.13 -1.59 -0.01 0.00 0.00 175.02 173.90 3k1d s LYS 486 N -4.10 0.57 0.10 2.03 -2.85 -0.32 -1.27 119.74 113.90 3k1d s LYS 486 Ca 0.35 -0.61 -0.30 0.00 -1.00 0.00 0.00 55.97 54.41 3k1d s LYS 486 Cb 0.05 0.23 -0.06 0.00 -2.06 0.00 0.00 37.83 35.98 3k1d s LYS 486 CO 0.12 -0.14 1.18 -1.58 0.10 0.00 0.00 175.35 175.02 3k1d s TRP 487 N -2.16 3.47 -1.05 1.78 0.52 0.12 -1.43 118.94 120.18 3k1d s TRP 487 Ca -0.09 1.38 -0.17 0.00 0.02 0.00 0.00 56.10 57.24 3k1d s TRP 487 Cb -0.04 -3.39 0.13 0.00 -1.15 0.00 0.00 33.47 29.03 3k1d s TRP 487 CO -0.02 -1.13 1.29 1.21 0.02 0.00 0.00 176.95 178.32 3k1d s ASN 488 N 0.68 6.78 0.29 2.95 3.84 -0.43 -4.70 114.94 124.37 3k1d s ASN 488 Ca 0.56 -2.35 0.07 0.00 0.21 0.00 0.00 52.86 51.35 3k1d s ASN 488 Cb -0.30 -2.42 0.45 0.00 -0.55 0.00 0.00 41.25 38.42 3k1d s ASN 488 CO 0.32 -0.99 1.69 0.24 -2.79 0.00 0.00 177.10 175.56 3k1d h MET 489 N 8.26 0.22 -0.40 0.43 2.86 -1.88 -2.70 114.93 121.71 3k1d h MET 489 Ca 0.23 -0.11 -0.05 0.00 -2.06 0.00 0.00 59.70 57.72 3k1d h MET 489 Cb 0.96 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.61 3k1d h MET 489 CO 1.20 0.62 0.07 0.78 1.06 0.00 0.00 176.91 180.64 3k1d h GLY 490 N 1.26 0.71 1.01 8.32 0.00 -1.96 -1.14 103.07 111.28 3k1d h GLY 490 Ca 0.01 -0.47 0.01 0.00 0.00 0.00 0.00 47.33 46.88 3k1d h GLY 490 CO 0.07 0.44 0.59 -0.25 0.00 0.00 0.00 176.54 177.38 3k1d h TRP 491 N 0.52 1.14 -0.23 5.60 7.01 -1.94 -1.08 115.95 126.96 3k1d h TRP 491 Ca 0.12 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.12 3k1d h TRP 491 Cb 0.36 -0.38 -0.01 0.00 -2.10 0.00 0.00 29.16 27.03 3k1d h TRP 491 CO 0.02 0.73 0.04 1.98 -2.79 0.00 0.00 178.44 178.42 3k1d h MET 492 N 1.23 0.39 -0.09 2.65 4.05 -1.19 -0.95 114.93 121.01 3k1d h MET 492 Ca 0.33 -0.11 -0.02 0.00 -0.28 0.00 0.00 59.70 59.63 3k1d h MET 492 Cb -0.13 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 30.62 3k1d h MET 492 CO -0.07 0.53 -0.01 1.25 0.23 0.00 0.00 176.91 178.84 3k1d h HIS 493 N 0.19 0.19 -0.60 1.39 -0.00 -1.02 -1.42 115.15 113.88 3k1d h HIS 493 Ca 0.07 -0.04 -0.04 0.00 -0.00 0.00 0.00 60.37 60.36 3k1d h HIS 493 Cb 0.33 -0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 27.67 3k1d h HIS 493 CO 0.02 0.45 0.21 -0.44 -0.00 0.00 0.00 177.93 178.17 3k1d h ASP 494 N -0.13 0.84 -0.11 3.26 3.32 -1.26 -1.33 116.42 121.02 3k1d h ASP 494 Ca 0.03 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 3k1d h ASP 494 Cb 0.38 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 3k1d h ASP 494 CO 0.01 0.81 0.03 0.74 -1.72 0.00 0.00 179.24 179.10 3k1d h THR 495 N 0.83 1.19 -0.03 0.35 2.02 -1.17 -2.10 112.91 114.01 3k1d h THR 495 Ca 0.20 -0.58 -0.11 0.00 0.77 0.00 0.00 66.41 66.69 3k1d h THR 495 Cb 0.25 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 3k1d h THR 495 CO -0.01 0.17 -0.48 -0.07 0.37 0.00 0.00 175.52 175.50 3k1d h LEU 496 N -0.02 0.07 -0.40 2.58 3.38 -1.24 -1.95 115.31 117.74 3k1d h LEU 496 Ca 0.04 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3k1d h LEU 496 Cb 0.24 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3k1d h LEU 496 CO -0.00 0.54 -0.11 -0.78 0.09 0.00 0.00 178.44 178.18 3k1d h ASP 497 N 0.05 0.78 -0.09 -0.43 3.58 -1.17 -2.58 116.42 116.56 3k1d h ASP 497 Ca -0.00 -0.37 -0.01 0.00 0.42 0.00 0.00 57.03 57.07 3k1d h ASP 497 Cb 0.87 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.70 3k1d h ASP 497 CO 0.07 0.97 0.01 0.22 -2.88 0.00 0.00 179.24 177.63 3k1d h TYR 498 N 0.59 0.17 0.00 0.28 3.20 -1.19 -3.06 116.97 116.96 3k1d h TYR 498 Ca 0.10 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3k1d h TYR 498 Cb 0.64 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.86 3k1d h TYR 498 CO 0.05 0.38 0.00 -0.39 -1.64 0.00 0.00 178.16 176.56 3k1d h VAL 499 N -0.09 0.00 0.00 1.81 -1.51 -1.41 -2.67 116.25 112.37 3k1d h VAL 499 Ca 0.03 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 3k1d h VAL 499 Cb 0.31 1.38 0.00 0.00 -2.13 0.00 0.00 31.29 30.84 3k1d h VAL 499 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 177.57 176.62 3k1d h SER 500 N 0.00 0.00 -3.73 4.19 0.02 -1.35 -3.40 113.55 109.28 3k1d h SER 500 Ca 0.00 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 3k1d h SER 500 Cb 0.47 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.98 3k1d h SER 500 CO 0.00 0.00 0.22 -0.13 -1.14 0.00 0.00 176.83 175.78 3k1d s ARG 501 N -3.35 4.40 0.35 3.45 0.52 -1.01 -4.64 118.95 118.66 3k1d s ARG 501 Ca 0.05 1.08 -0.29 0.00 -0.52 0.00 0.00 55.73 56.06 3k1d s ARG 501 Cb 0.07 -2.81 -0.11 0.00 0.52 0.00 0.00 34.95 32.62 3k1d s ARG 501 CO 0.62 0.32 1.48 0.34 0.02 0.00 0.00 175.30 178.09 3k1d s ASP 502 N -1.67 6.43 0.39 0.23 2.15 -1.26 -4.79 116.67 118.14 3k1d s ASP 502 Ca 0.47 2.96 0.20 0.00 0.43 0.00 0.00 52.55 56.61 3k1d s ASP 502 Cb -0.17 -2.66 1.19 0.00 -0.30 0.00 0.00 42.92 40.98 3k1d s ASP 502 CO 0.22 -0.82 1.69 -0.65 -0.17 0.00 0.00 175.17 175.43 3k1d h PRO 503 N 3.52 0.27 0.00 4.34 0.11 -1.95 0.57 132.00 138.87 3k1d h PRO 503 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3k1d h PRO 503 Cb 1.23 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3k1d h PRO 503 CO 0.68 0.18 0.00 1.33 -0.21 0.00 0.00 178.00 179.98 3k1d n VAL 504 N -4.81 1.08 0.21 3.15 0.24 -1.26 -2.25 118.33 114.69 3k1d n VAL 504 Ca 0.31 0.27 0.02 0.00 -2.04 0.00 0.00 64.34 62.91 3k1d n VAL 504 Cb 1.08 -1.12 -0.03 0.00 -1.47 0.00 0.00 33.84 32.30 3k1d n VAL 504 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3k1d n TYR 505 N -1.39 0.00 -0.13 6.34 4.01 0.18 -4.73 117.16 121.44 3k1d n TYR 505 Ca 0.03 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.93 3k1d n TYR 505 Cb 0.09 -0.01 0.54 0.00 -0.31 0.00 0.00 39.34 39.64 3k1d n TYR 505 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3k1d h ARG 506 N 0.00 0.33 -0.93 -0.72 3.08 -1.31 -1.38 114.38 113.45 3k1d h ARG 506 Ca 0.00 -0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.18 3k1d h ARG 506 Cb 0.13 -0.07 -0.08 0.00 0.08 0.00 0.00 29.97 30.02 3k1d h ARG 506 CO 0.00 0.22 0.59 0.77 -1.07 0.00 0.00 179.97 180.48 3k1d h SER 507 N 0.34 0.71 0.52 7.04 0.02 -1.79 0.13 113.55 120.53 3k1d h SER 507 Ca 0.34 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 3k1d h SER 507 Cb 0.87 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.32 3k1d h SER 507 CO -0.09 0.34 0.00 1.88 -1.14 0.00 0.00 176.83 177.82 3k1d h TYR 508 N 0.74 0.00 0.00 3.45 0.05 -1.60 -2.92 116.97 116.69 3k1d h TYR 508 Ca 0.48 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.26 3k1d h TYR 508 Cb 0.74 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.48 3k1d h TYR 508 CO -0.00 0.00 -0.03 0.72 -1.05 0.00 0.00 178.16 177.80 3k1d n HIS 509 N -2.57 0.00 -0.18 4.88 8.25 0.42 -4.74 115.22 121.29 3k1d n HIS 509 Ca 0.00 -0.90 -0.02 0.00 -0.26 0.00 0.00 57.72 56.54 3k1d n HIS 509 Cb 0.18 -0.14 0.08 0.00 1.12 0.00 0.00 29.99 31.23 3k1d n HIS 509 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3k1d h HIS 510 N 0.00 0.33 0.00 4.41 6.17 -1.23 0.31 115.15 125.14 3k1d h HIS 510 Ca 0.00 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.09 3k1d h HIS 510 Cb 0.99 -0.07 -0.00 0.00 2.52 0.00 0.00 27.41 30.85 3k1d h HIS 510 CO 0.01 0.09 -0.06 1.12 0.71 0.00 0.00 177.93 179.80 3k1d h HIS 511 N 0.37 0.00 -0.34 5.26 2.07 -1.85 -1.26 115.15 119.40 3k1d h HIS 511 Ca 0.26 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.62 3k1d h HIS 511 Cb 0.30 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.28 3k1d h HIS 511 CO -0.17 0.06 -0.43 1.49 -3.07 0.00 0.00 177.93 175.81 3k1d h GLU 512 N 0.00 0.87 -0.22 5.12 4.81 -1.29 -2.28 114.58 121.59 3k1d h GLU 512 Ca -0.00 -0.48 -0.09 0.00 -0.13 0.00 0.00 59.36 58.66 3k1d h GLU 512 Cb 0.12 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3k1d h GLU 512 CO 0.01 1.12 -0.27 1.98 -0.73 0.00 0.00 179.01 181.12 3k1d h MET 513 N 0.70 0.42 -0.20 1.92 4.05 -0.56 -3.07 114.93 118.19 3k1d h MET 513 Ca 0.05 -0.16 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 3k1d h MET 513 Cb 1.01 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.79 3k1d h MET 513 CO 0.10 0.65 0.00 0.25 0.23 0.00 0.00 176.91 178.14 3k1d n THR 514 N -4.12 0.25 -0.01 -0.77 -2.24 -0.93 -4.45 114.28 102.01 3k1d n THR 514 Ca -0.01 -0.56 -0.01 0.00 -2.27 0.00 0.00 64.05 61.20 3k1d n THR 514 Cb 0.40 1.03 0.27 0.00 -2.10 0.00 0.00 70.33 69.94 3k1d n THR 514 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3k1d h PHE 515 N 4.06 0.56 -0.15 4.78 3.57 -1.30 -2.97 116.94 125.49 3k1d h PHE 515 Ca 0.00 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.44 3k1d h PHE 515 Cb 0.88 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 3k1d h PHE 515 CO 0.12 0.57 0.10 0.66 -2.23 0.00 0.00 178.31 177.54 3k1d h SER 516 N 0.51 0.17 0.02 0.41 4.64 -1.78 -2.31 113.55 115.21 3k1d h SER 516 Ca 0.11 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3k1d h SER 516 Cb 0.38 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3k1d h SER 516 CO 0.02 0.12 -0.01 0.24 -0.87 0.00 0.00 176.83 176.33 3k1d h MET 517 N 0.20 0.00 0.00 4.77 2.86 -1.85 -1.60 114.93 119.31 3k1d h MET 517 Ca 0.06 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 3k1d h MET 517 Cb -0.01 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 3k1d h MET 517 CO -0.01 0.01 -0.09 -0.07 1.06 0.00 0.00 176.91 177.80 3k1d h LEU 518 N 0.00 0.00 -2.17 1.22 3.38 -1.59 -3.20 115.31 112.95 3k1d h LEU 518 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3k1d h LEU 518 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3k1d h LEU 518 CO 0.00 0.09 -0.39 0.00 0.09 0.00 0.00 178.44 178.24 3k1d n TYR 519 N -3.61 0.00 0.20 1.13 0.18 -0.94 -4.85 117.16 109.27 3k1d n TYR 519 Ca -0.02 -0.19 0.09 0.00 1.88 0.00 0.00 57.90 59.66 3k1d n TYR 519 Cb 0.22 -0.07 0.48 0.00 -0.38 0.00 0.00 39.34 39.59 3k1d n TYR 519 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3k1d n ALA 520 N -0.28 1.17 -0.12 -3.48 0.00 -0.65 -1.85 120.51 115.31 3k1d n ALA 520 Ca 0.03 0.14 0.03 0.00 0.00 0.00 0.00 53.44 53.64 3k1d n ALA 520 Cb 0.68 -1.28 0.08 0.00 0.00 0.00 0.00 19.45 18.93 3k1d n ALA 520 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3k1d n PHE 521 N -2.12 0.25 1.17 0.00 3.72 -1.26 -4.49 117.46 114.73 3k1d n PHE 521 Ca -0.00 -0.51 0.14 0.00 -0.05 0.00 0.00 57.45 57.02 3k1d n PHE 521 Cb 0.07 -0.04 0.66 0.00 -0.94 0.00 0.00 39.48 39.23 3k1d n PHE 521 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3k1d n SER 522 N 0.01 0.00 -3.85 4.37 3.41 -0.77 -4.86 113.62 111.94 3k1d n SER 522 Ca 0.06 0.16 -0.08 0.00 -0.26 0.00 0.00 58.87 58.75 3k1d n SER 522 Cb 0.35 -0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 63.90 3k1d n SER 522 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3k1d s GLU 523 N -2.76 1.67 -0.56 4.33 0.41 -1.26 -4.80 118.70 115.73 3k1d s GLU 523 Ca 0.21 -1.00 -0.23 0.00 -0.41 0.00 0.00 54.97 53.54 3k1d s GLU 523 Cb 0.19 0.57 0.05 0.00 -1.78 0.00 0.00 34.13 33.16 3k1d s GLU 523 CO 0.47 -0.75 0.88 -0.80 -0.49 0.00 0.00 175.26 174.57 3k1d s ASN 524 N -2.92 6.29 0.15 -0.19 0.01 -1.26 -4.91 114.94 112.11 3k1d s ASN 524 Ca 0.13 -0.56 0.03 0.00 -0.71 0.00 0.00 52.86 51.75 3k1d s ASN 524 Cb -0.04 -2.40 -0.04 0.00 0.41 0.00 0.00 41.25 39.18 3k1d s ASN 524 CO 0.05 -1.19 0.24 -0.31 -1.51 0.00 0.00 177.10 174.38 3k1d s TYR 525 N 3.70 3.38 -0.15 2.20 1.51 -1.26 -1.18 117.35 125.56 3k1d s TYR 525 Ca 0.26 0.07 0.02 0.00 -1.01 0.00 0.00 57.07 56.41 3k1d s TYR 525 Cb -0.15 -1.62 0.01 0.00 -0.11 0.00 0.00 41.96 40.10 3k1d s TYR 525 CO 0.16 0.52 -0.21 0.08 -1.11 0.00 0.00 175.55 174.99 3k1d s VAL 526 N -1.75 2.16 -0.33 0.71 1.01 -0.51 -1.68 120.40 120.00 3k1d s VAL 526 Ca 0.33 -0.94 -0.25 0.00 0.00 0.00 0.00 61.98 61.13 3k1d s VAL 526 Cb -0.11 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.41 3k1d s VAL 526 CO 0.27 0.54 0.86 -0.76 0.00 0.00 0.00 175.10 176.01 3k1d s LEU 527 N 0.90 4.05 0.04 3.92 1.43 0.26 -1.31 118.68 127.98 3k1d s LEU 527 Ca -0.05 0.63 0.06 0.00 -1.03 0.00 0.00 54.13 53.74 3k1d s LEU 527 Cb -0.15 -3.17 -0.03 0.00 0.03 0.00 0.00 46.19 42.86 3k1d s LEU 527 CO -0.04 -0.73 -0.12 -2.16 0.23 0.00 0.00 176.35 173.53 3k1d s PRO 528 N 3.20 2.25 -0.48 1.29 0.04 -1.26 -1.95 135.00 138.10 3k1d s PRO 528 Ca 0.35 -0.90 0.06 0.00 0.04 0.00 0.00 61.00 60.55 3k1d s PRO 528 Cb -0.13 -2.32 0.20 0.00 0.04 0.00 0.00 34.50 32.29 3k1d s PRO 528 CO 0.15 0.55 0.47 1.28 0.04 0.00 0.00 177.00 179.49 3k1d n LEU 529 N 1.35 0.75 0.00 -3.56 4.77 -0.80 -4.71 117.00 114.79 3k1d n LEU 529 Ca -0.15 -4.73 -0.14 0.00 -0.03 0.00 0.00 56.01 50.96 3k1d n LEU 529 Cb 0.52 0.24 0.09 0.00 -2.33 0.00 0.00 43.42 41.94 3k1d n LEU 529 CO 0.30 1.94 0.38 -1.54 -1.33 0.00 0.00 177.39 177.13 3k1d n SER 530 N 2.02 0.43 0.08 -1.43 3.41 -1.26 -2.28 113.62 114.58 3k1d n SER 530 Ca 0.26 -1.46 0.04 0.00 -0.26 0.00 0.00 58.87 57.45 3k1d n SER 530 Cb 0.47 -0.44 0.43 0.00 -0.26 0.00 0.00 64.21 64.41 3k1d n SER 530 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 3k1d h HIS 531 N -0.91 0.36 0.00 7.33 2.07 -1.95 -2.66 115.15 119.38 3k1d h HIS 531 Ca -0.20 -0.01 -0.00 0.00 -2.85 0.00 0.00 60.37 57.30 3k1d h HIS 531 Cb 0.65 -0.11 -0.00 0.00 2.57 0.00 0.00 27.41 30.52 3k1d h HIS 531 CO 0.00 0.31 -0.02 -0.44 -3.07 0.00 0.00 177.93 174.71 3k1d h ASP 532 N 0.36 0.00 0.16 3.10 3.32 -1.97 -2.41 116.42 118.99 3k1d h ASP 532 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3k1d h ASP 532 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3k1d h ASP 532 CO -0.00 0.02 -0.24 -0.62 -1.72 0.00 0.00 179.24 176.68 3k1d n GLU 533 N -3.20 1.05 -2.16 3.56 -0.58 -1.00 -4.22 120.64 114.09 3k1d n GLU 533 Ca -0.01 -0.67 -0.19 0.00 -0.42 0.00 0.00 57.16 55.87 3k1d n GLU 533 Cb 0.19 -1.49 0.03 0.00 -0.57 0.00 0.00 31.44 29.60 3k1d n GLU 533 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 3k1d n VAL 534 N -0.40 2.26 -4.11 2.62 0.24 -0.91 -4.57 118.33 113.48 3k1d n VAL 534 Ca 0.13 -3.93 -0.11 0.00 -2.04 0.00 0.00 64.34 58.38 3k1d n VAL 534 Cb 0.37 -0.63 -0.07 0.00 -1.47 0.00 0.00 33.84 32.04 3k1d n VAL 534 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3k1d s VAL 535 N -4.40 0.00 -1.31 3.34 -7.23 -1.25 -2.14 120.40 107.40 3k1d s VAL 535 Ca 0.46 -1.71 -0.02 0.00 -1.81 0.00 0.00 61.98 58.90 3k1d s VAL 535 Cb 0.39 -2.39 -0.00 0.00 0.56 0.00 0.00 36.38 34.94 3k1d s VAL 535 CO 0.02 0.00 0.64 1.41 -0.31 0.00 0.00 175.10 176.86 3k1d n HIS 536 N -0.35 -1.86 -0.78 2.82 8.25 -1.26 -2.48 115.22 119.56 3k1d n HIS 536 Ca 0.01 0.79 0.00 0.00 -0.26 0.00 0.00 57.72 58.26 3k1d n HIS 536 Cb 0.64 -4.17 0.00 0.00 1.12 0.00 0.00 29.99 27.58 3k1d n HIS 536 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3k1d n GLY 537 N -1.67 0.98 0.10 -1.41 0.00 -1.26 -4.85 105.19 97.09 3k1d n GLY 537 Ca -0.29 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.86 3k1d n GLY 537 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3k1d n LYS 538 N -2.00 0.23 -0.34 1.61 5.02 -1.03 -5.03 118.16 116.63 3k1d n LYS 538 Ca 0.00 0.23 0.04 0.00 -2.02 0.00 0.00 58.31 56.57 3k1d n LYS 538 Cb 0.00 -1.79 -0.02 0.00 -0.02 0.00 0.00 35.03 33.20 3k1d n LYS 538 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k1d n GLY 539 N 1.11 -2.27 3.56 0.72 0.00 -1.26 -4.85 105.19 102.21 3k1d n GLY 539 Ca 0.05 -1.40 -0.23 0.00 0.00 0.00 0.00 46.02 44.44 3k1d n GLY 539 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3k1d n THR 540 N -2.83 0.00 -0.06 2.61 -2.24 -1.26 -4.19 114.28 106.30 3k1d n THR 540 Ca -0.01 -1.24 -0.07 0.00 -2.27 0.00 0.00 64.05 60.46 3k1d n THR 540 Cb 0.16 -1.16 0.12 0.00 -2.10 0.00 0.00 70.33 67.34 3k1d n THR 540 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3k1d h LEU 541 N 0.00 0.72 -0.24 3.22 3.38 -1.89 -2.35 115.31 118.14 3k1d h LEU 541 Ca -0.34 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.36 3k1d h LEU 541 Cb 1.11 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3k1d h LEU 541 CO 0.31 0.92 0.06 -0.25 0.09 0.00 0.00 178.44 179.58 3k1d h TRP 542 N 0.62 0.40 -0.13 1.13 2.91 -1.88 -2.89 115.95 116.11 3k1d h TRP 542 Ca 0.09 -0.05 -0.00 0.00 1.13 0.00 0.00 58.89 60.06 3k1d h TRP 542 Cb 0.71 -0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 29.24 3k1d h TRP 542 CO 0.03 0.47 0.07 0.78 -1.03 0.00 0.00 178.44 178.77 3k1d h GLY 543 N 0.21 0.18 2.00 2.65 0.00 -1.74 -2.01 103.07 104.36 3k1d h GLY 543 Ca 0.08 -0.07 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 3k1d h GLY 543 CO -0.00 0.07 -0.42 3.21 0.00 0.00 0.00 176.54 179.40 3k1d h ARG 544 N 0.17 0.00 -6.76 4.80 3.08 -1.22 -3.46 114.38 110.99 3k1d h ARG 544 Ca 0.05 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.57 3k1d h ARG 544 Cb -0.00 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.10 3k1d h ARG 544 CO -0.01 0.42 0.72 -1.64 -1.07 0.00 0.00 179.97 178.39 3k1d s MET 545 N -3.48 4.31 0.54 0.04 -1.94 -0.76 -4.37 119.30 113.64 3k1d s MET 545 Ca 0.01 2.24 -0.07 0.00 -1.71 0.00 0.00 55.69 56.15 3k1d s MET 545 Cb 0.10 -3.12 -0.03 0.00 2.01 0.00 0.00 34.83 33.80 3k1d s MET 545 CO 0.70 -0.34 0.88 -1.25 -0.01 0.00 0.00 175.02 174.99 3k1d s PRO 546 N -0.59 3.44 0.06 2.03 0.04 -1.26 -4.82 135.00 133.90 3k1d s PRO 546 Ca 0.57 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.93 3k1d s PRO 546 Cb -0.40 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 31.86 3k1d s PRO 546 CO 0.44 -0.40 0.00 0.41 0.04 0.00 0.00 177.00 177.49 3k1d n GLY 547 N -2.46 -2.78 3.81 0.56 0.00 -1.26 -3.72 105.19 99.33 3k1d n GLY 547 Ca 0.03 -2.02 -0.29 0.00 0.00 0.00 0.00 46.02 43.74 3k1d n GLY 547 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3k1d n ASN 548 N 0.02 -0.11 -0.35 1.61 0.23 -1.26 -4.60 115.26 110.79 3k1d n ASN 548 Ca 0.00 -1.45 0.11 0.00 -0.53 0.00 0.00 54.58 52.71 3k1d n ASN 548 Cb 0.00 -1.01 0.29 0.00 -2.08 0.00 0.00 39.78 36.97 3k1d n ASN 548 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 3k1d h ASN 549 N -1.83 0.82 -0.59 0.53 2.35 -1.99 0.57 115.58 115.43 3k1d h ASN 549 Ca -0.43 0.08 -0.10 0.00 -0.55 0.00 0.00 56.30 55.30 3k1d h ASN 549 Cb 1.19 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.46 3k1d h ASN 549 CO 0.30 0.34 -0.04 -0.74 -1.65 0.00 0.00 177.43 175.65 3k1d h HIS 550 N 0.83 1.18 0.01 1.19 2.76 -1.97 -2.07 115.15 117.09 3k1d h HIS 550 Ca 0.54 -0.22 -0.20 0.00 -2.20 0.00 0.00 60.37 58.29 3k1d h HIS 550 Cb 0.75 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 3k1d h HIS 550 CO -0.01 1.05 -0.91 0.28 -1.30 0.00 0.00 177.93 177.04 3k1d h VAL 551 N 0.97 1.51 -0.34 5.26 2.07 -1.60 -2.16 116.25 121.95 3k1d h VAL 551 Ca 0.16 -2.70 -0.03 0.00 0.82 0.00 0.00 66.70 64.96 3k1d h VAL 551 Cb 0.60 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.88 3k1d h VAL 551 CO 0.04 0.79 0.10 0.11 0.02 0.00 0.00 177.57 178.62 3k1d h LYS 552 N 0.10 0.54 -0.54 1.57 1.57 -0.86 -0.09 116.57 118.85 3k1d h LYS 552 Ca -0.05 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 3k1d h LYS 552 Cb 1.55 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.76 3k1d h LYS 552 CO 0.14 0.57 0.31 0.00 -0.57 0.00 0.00 179.45 179.90 3k1d h ALA 553 N 0.94 0.69 -0.54 3.86 0.00 -1.36 0.08 119.26 122.93 3k1d h ALA 553 Ca 0.11 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3k1d h ALA 553 Cb 0.26 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3k1d h ALA 553 CO -0.00 0.19 0.18 0.00 0.00 0.00 0.00 179.25 179.61 3k1d h ALA 554 N 1.15 0.71 -0.74 0.00 0.00 -1.23 -1.38 119.26 117.76 3k1d h ALA 554 Ca 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3k1d h ALA 554 Cb 0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3k1d h ALA 554 CO -0.03 0.36 0.38 0.78 0.00 0.00 0.00 179.25 180.74 3k1d h GLY 555 N 0.75 1.13 1.01 0.00 0.00 -0.54 -1.44 103.07 103.98 3k1d h GLY 555 Ca 0.18 -0.54 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 3k1d h GLY 555 CO -0.01 0.52 -0.01 -2.00 0.00 0.00 0.00 176.54 175.03 3k1d h LEU 556 N 1.03 0.85 -1.42 3.11 5.85 -0.71 -0.57 115.31 123.46 3k1d h LEU 556 Ca 0.26 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 3k1d h LEU 556 Cb 0.08 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 3k1d h LEU 556 CO -0.04 0.96 0.06 0.03 -0.34 0.00 0.00 178.44 179.11 3k1d h ARG 557 N 0.72 0.45 -0.24 1.25 3.08 -1.00 -1.76 114.38 116.88 3k1d h ARG 557 Ca 0.14 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 3k1d h ARG 557 Cb 0.53 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 3k1d h ARG 557 CO 0.03 0.43 -0.07 0.77 -1.07 0.00 0.00 179.97 180.06 3k1d h SER 558 N 0.44 0.48 -0.10 7.04 0.02 -0.74 -1.89 113.55 118.80 3k1d h SER 558 Ca 0.10 -0.37 0.02 0.00 -0.84 0.00 0.00 61.79 60.70 3k1d h SER 558 Cb 0.19 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 3k1d h SER 558 CO -0.00 0.74 -0.04 0.25 -1.14 0.00 0.00 176.83 176.64 3k1d h LEU 559 N 0.21 -0.14 -0.50 5.07 5.85 -0.68 0.11 115.31 125.22 3k1d h LEU 559 Ca 0.06 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3k1d h LEU 559 Cb 0.54 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 3k1d h LEU 559 CO 0.03 -0.05 0.26 -0.07 -0.34 0.00 0.00 178.44 178.27 3k1d h LEU 560 N -0.02 0.64 -0.87 2.25 3.38 -1.34 0.13 115.31 119.47 3k1d h LEU 560 Ca 0.05 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.95 3k1d h LEU 560 Cb 0.11 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 3k1d h LEU 560 CO -0.12 0.56 0.57 0.00 0.09 0.00 0.00 178.44 179.54 3k1d h ALA 561 N 1.10 1.14 -0.61 1.53 0.00 -0.99 -1.56 119.26 119.89 3k1d h ALA 561 Ca 0.18 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3k1d h ALA 561 Cb 0.07 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3k1d h ALA 561 CO -0.03 0.44 0.21 -0.92 0.00 0.00 0.00 179.25 178.95 3k1d h TYR 562 N 1.12 0.96 -0.63 0.00 3.20 0.09 -1.33 116.97 120.38 3k1d h TYR 562 Ca 0.34 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 62.12 3k1d h TYR 562 Cb -0.03 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 37.93 3k1d h TYR 562 CO -0.02 0.78 0.40 0.37 -1.64 0.00 0.00 178.16 178.05 3k1d h GLN 563 N 0.86 0.85 -0.51 1.82 4.15 -0.27 -0.93 115.11 121.07 3k1d h GLN 563 Ca 0.20 -0.07 -0.11 0.00 0.77 0.00 0.00 58.65 59.44 3k1d h GLN 563 Cb 0.26 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 3k1d h GLN 563 CO -0.01 0.59 -0.12 -1.49 -1.93 0.00 0.00 178.83 175.87 3k1d h TRP 564 N 0.86 1.10 0.00 3.99 6.55 -1.04 -3.25 115.95 124.17 3k1d h TRP 564 Ca 0.23 -0.24 -0.18 0.00 0.95 0.00 0.00 58.89 59.65 3k1d h TRP 564 Cb -0.05 -0.27 -0.02 0.00 -0.86 0.00 0.00 29.16 27.95 3k1d h TRP 564 CO -0.02 1.04 -0.86 0.00 -1.05 0.00 0.00 178.44 177.55 3k1d h ALA 565 N 0.91 0.58 -2.82 1.49 0.00 -1.10 -3.46 119.26 114.86 3k1d h ALA 565 Ca 0.13 -0.77 -0.52 0.00 0.00 0.00 0.00 54.91 53.74 3k1d h ALA 565 Cb 0.68 -0.13 0.06 0.00 0.00 0.00 0.00 17.79 18.40 3k1d h ALA 565 CO 0.05 1.05 0.67 -1.58 0.00 0.00 0.00 179.25 179.44 3k1d s HIS 566 N -3.07 3.07 0.18 0.00 5.65 -0.37 -4.92 115.29 115.83 3k1d s HIS 566 Ca -0.00 1.29 -0.33 0.00 0.25 0.00 0.00 55.06 56.27 3k1d s HIS 566 Cb 0.11 -3.70 -0.15 0.00 -1.18 0.00 0.00 32.58 27.65 3k1d s HIS 566 CO 0.80 -2.07 1.23 -2.30 -0.65 0.00 0.00 174.74 171.75 3k1d n PRO 567 N 1.45 1.32 0.00 2.88 -0.02 -1.26 -4.79 135.00 134.58 3k1d n PRO 567 Ca 0.03 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3k1d n PRO 567 Cb 0.42 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 3k1d n PRO 567 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k1d n GLY 568 N 2.11 3.24 3.78 -1.23 0.00 -1.26 -4.88 105.19 106.94 3k1d n GLY 568 Ca 0.15 -1.91 -0.29 0.00 0.00 0.00 0.00 46.02 43.96 3k1d n GLY 568 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k1d s LYS 569 N -3.28 0.50 0.11 1.61 -0.14 -0.68 -4.71 119.74 113.16 3k1d s LYS 569 Ca 0.00 0.04 0.08 0.00 -1.36 0.00 0.00 55.97 54.73 3k1d s LYS 569 Cb 0.00 -1.79 -0.04 0.00 -1.68 0.00 0.00 37.83 34.33 3k1d s LYS 569 CO 0.00 -2.58 -0.20 -0.65 -0.76 0.00 0.00 175.35 171.16 3k1d s GLN 570 N -5.46 1.11 -0.05 1.68 1.11 -0.75 0.92 119.66 118.22 3k1d s GLN 570 Ca 0.68 -1.17 -0.02 0.00 0.01 0.00 0.00 55.36 54.86 3k1d s GLN 570 Cb -0.11 -1.33 0.04 0.00 -1.01 0.00 0.00 33.01 30.60 3k1d s GLN 570 CO 0.54 0.30 0.10 -1.17 0.01 0.00 0.00 175.29 175.07 3k1d s LEU 571 N -1.99 0.62 -0.06 2.90 0.20 -0.82 0.16 118.68 119.69 3k1d s LEU 571 Ca 0.07 0.19 0.01 0.00 0.69 0.00 0.00 54.13 55.09 3k1d s LEU 571 Cb -0.09 0.14 0.02 0.00 -0.43 0.00 0.00 46.19 45.83 3k1d s LEU 571 CO 0.04 -0.17 -0.06 -0.22 -0.29 0.00 0.00 176.35 175.65 3k1d s LEU 572 N 1.47 1.36 0.17 -0.68 2.96 0.72 -1.91 118.68 122.77 3k1d s LEU 572 Ca -0.05 -0.18 -0.30 0.00 -0.22 0.00 0.00 54.13 53.38 3k1d s LEU 572 Cb -0.12 -0.57 -0.08 0.00 0.50 0.00 0.00 46.19 45.92 3k1d s LEU 572 CO -0.05 -0.04 1.12 0.12 -1.32 0.00 0.00 176.35 176.18 3k1d s PHE 573 N 0.96 3.56 0.34 5.38 5.36 -0.96 -0.86 117.98 131.75 3k1d s PHE 573 Ca -0.10 1.56 -0.23 0.00 -0.96 0.00 0.00 56.93 57.20 3k1d s PHE 573 Cb -0.14 -3.30 -0.16 0.00 -0.34 0.00 0.00 43.02 39.07 3k1d s PHE 573 CO 0.00 -0.72 0.26 0.00 -1.46 0.00 0.00 175.22 173.31 3k1d n MET 574 N 2.47 0.05 0.00 10.12 0.00 -0.08 -1.36 117.12 128.33 3k1d n MET 574 Ca 0.03 0.02 0.00 0.00 0.00 0.00 0.00 57.70 57.75 3k1d n MET 574 Cb 0.46 -1.04 0.00 0.00 0.00 0.00 0.00 33.22 32.64 3k1d n MET 574 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3k1d n GLY 575 N 2.18 2.29 0.26 3.17 0.00 -1.26 -4.77 105.19 107.06 3k1d n GLY 575 Ca 0.13 -0.23 0.16 0.00 0.00 0.00 0.00 46.02 46.08 3k1d n GLY 575 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3k1d h GLN 576 N 0.00 0.00 0.00 1.61 1.08 -1.57 -1.25 115.11 114.98 3k1d h GLN 576 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3k1d h GLN 576 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3k1d h GLN 576 CO 0.00 0.00 0.00 1.05 -0.95 0.00 0.00 178.83 178.93 3k1d h GLU 577 N 0.00 0.00 -0.01 1.46 9.09 -1.86 -2.42 114.58 120.83 3k1d h GLU 577 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 3k1d h GLU 577 Cb 0.67 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.77 3k1d h GLU 577 CO 0.00 0.00 -0.10 1.97 0.05 0.00 0.00 179.01 180.93 3k1d n PHE 578 N -2.49 0.05 -3.41 2.06 1.16 -1.08 -2.35 117.46 111.39 3k1d n PHE 578 Ca 0.01 -1.10 -0.19 0.00 -1.87 0.00 0.00 57.45 54.31 3k1d n PHE 578 Cb 0.23 -0.18 0.08 0.00 -1.61 0.00 0.00 39.48 38.00 3k1d n PHE 578 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3k1d n GLY 579 N -1.34 -0.36 3.65 4.97 0.00 -0.91 -4.41 105.19 106.79 3k1d n GLY 579 Ca 0.17 0.12 -0.47 0.00 0.00 0.00 0.00 46.02 45.83 3k1d n GLY 579 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3k1d n GLN 580 N -4.25 1.95 -0.02 1.61 7.27 -0.49 -4.84 117.38 118.61 3k1d n GLN 580 Ca -0.14 0.70 -0.17 0.00 0.07 0.00 0.00 57.00 57.47 3k1d n GLN 580 Cb 0.61 -2.45 -0.14 0.00 2.41 0.00 0.00 30.24 30.67 3k1d n GLN 580 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3k1d h ARG 581 N 5.74 0.14 -6.65 3.69 3.08 -1.91 -3.41 114.38 115.07 3k1d h ARG 581 Ca -0.46 -0.23 -0.51 0.00 0.07 0.00 0.00 59.98 58.86 3k1d h ARG 581 Cb 1.27 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.38 3k1d h ARG 581 CO 0.87 1.10 0.13 0.00 -1.07 0.00 0.00 179.97 181.00 3k1d s ALA 582 N -2.36 3.36 0.51 0.04 0.00 -1.26 -4.37 121.76 117.68 3k1d s ALA 582 Ca -0.16 0.17 -0.21 0.00 0.00 0.00 0.00 51.96 51.76 3k1d s ALA 582 Cb -0.01 -2.85 -0.09 0.00 0.00 0.00 0.00 23.12 20.17 3k1d s ALA 582 CO 0.75 0.31 0.78 0.39 0.00 0.00 0.00 175.76 177.99 3k1d n GLU 583 N 0.42 0.87 -1.77 0.00 1.02 -1.26 -4.88 120.64 115.03 3k1d n GLU 583 Ca -0.00 0.32 -0.40 0.00 -0.02 0.00 0.00 57.16 57.06 3k1d n GLU 583 Cb 0.52 -1.88 0.01 0.00 -0.02 0.00 0.00 31.44 30.06 3k1d n GLU 583 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 3k1d s TRP 584 N -1.50 2.48 -0.18 -0.32 -0.00 -0.91 -5.01 118.94 113.51 3k1d s TRP 584 Ca 0.68 1.20 -0.04 0.00 -0.00 0.00 0.00 56.10 57.94 3k1d s TRP 584 Cb -0.50 -4.00 0.06 0.00 -0.00 0.00 0.00 33.47 29.03 3k1d s TRP 584 CO 0.54 -3.06 0.07 0.45 -0.00 0.00 0.00 176.95 174.95 3k1d s SER 585 N -0.30 2.54 0.46 5.86 0.15 -1.26 -4.87 113.70 116.27 3k1d s SER 585 Ca 0.57 -0.68 0.31 0.00 0.70 0.00 0.00 55.95 56.86 3k1d s SER 585 Cb -0.46 -0.38 1.42 0.00 -1.71 0.00 0.00 66.02 64.90 3k1d s SER 585 CO 0.60 -0.33 1.94 1.05 1.20 0.00 0.00 173.24 177.70 3k1d h GLU 586 N 8.35 0.00 0.00 5.44 -0.00 -1.94 -1.53 114.58 124.91 3k1d h GLU 586 Ca -0.15 0.00 -0.16 0.00 -0.00 0.00 0.00 59.36 59.05 3k1d h GLU 586 Cb 1.14 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.86 3k1d h GLU 586 CO 0.31 0.00 -0.91 1.96 -0.00 0.00 0.00 179.01 180.36 3k1d h GLN 587 N 0.00 0.00 0.00 1.06 4.20 -1.96 -3.37 115.11 115.04 3k1d h GLN 587 Ca 0.00 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.46 3k1d h GLN 587 Cb 0.32 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.05 3k1d h GLN 587 CO 0.00 0.59 -2.24 0.54 -0.67 0.00 0.00 178.83 177.05 3k1d n ARG 588 N -3.18 0.68 0.00 1.46 1.74 -1.06 -5.12 116.66 111.18 3k1d n ARG 588 Ca -0.02 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 3k1d n ARG 588 Cb 0.84 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.75 3k1d n ARG 588 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k1d n GLY 589 N 1.59 0.31 3.80 -0.13 0.00 -0.60 -4.92 105.19 105.24 3k1d n GLY 589 Ca -0.23 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 43.50 3k1d n GLY 589 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k1d s LEU 590 N -0.70 3.80 -1.45 0.99 1.43 -1.04 -4.62 118.68 117.08 3k1d s LEU 590 Ca 0.00 1.86 -0.12 0.00 -1.03 0.00 0.00 54.13 54.84 3k1d s LEU 590 Cb 0.00 -4.55 0.04 0.00 0.03 0.00 0.00 46.19 41.71 3k1d s LEU 590 CO 0.00 -0.76 2.32 0.47 0.23 0.00 0.00 176.35 178.61 3k1d n ASP 591 N -1.10 5.30 0.26 2.29 8.00 -1.26 -4.73 116.55 125.31 3k1d n ASP 591 Ca 0.09 -2.85 0.10 0.00 0.71 0.00 0.00 54.79 52.84 3k1d n ASP 591 Cb 0.53 -1.59 0.70 0.00 -0.02 0.00 0.00 41.12 40.74 3k1d n ASP 591 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 3k1d h TRP 592 N 5.67 0.00 -0.24 1.24 4.06 -1.95 -2.74 115.95 121.99 3k1d h TRP 592 Ca 0.61 0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.63 3k1d h TRP 592 Cb 0.55 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.70 3k1d h TRP 592 CO 1.52 0.08 0.35 0.27 -3.56 0.00 0.00 178.44 177.10 3k1d h PHE 593 N 0.00 0.00 -0.13 0.49 -5.15 -2.02 0.24 116.94 110.37 3k1d h PHE 593 Ca -0.00 0.00 0.04 0.00 -0.20 0.00 0.00 57.97 57.81 3k1d h PHE 593 Cb 0.18 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.35 3k1d h PHE 593 CO 0.00 0.00 0.11 1.96 -2.00 0.00 0.00 178.31 178.38 3k1d h GLN 594 N 0.00 0.00 0.00 6.09 4.20 -1.90 0.25 115.11 123.75 3k1d h GLN 594 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3k1d h GLN 594 Cb 0.80 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.58 3k1d h GLN 594 CO -0.00 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.44 3k1d n LEU 595 N -4.31 0.00 -0.06 1.46 4.77 0.07 -2.60 117.00 116.32 3k1d n LEU 595 Ca 0.00 0.21 0.07 0.00 -0.03 0.00 0.00 56.01 56.27 3k1d n LEU 595 Cb 0.23 -0.21 -0.07 0.00 -2.33 0.00 0.00 43.42 41.04 3k1d n LEU 595 CO 0.33 -0.05 0.02 0.47 -1.33 0.00 0.00 177.39 176.83 3k1d n ASP 596 N -1.21 0.85 -4.54 -1.43 8.00 0.86 -4.85 116.55 114.22 3k1d n ASP 596 Ca 0.13 -0.93 -0.29 0.00 0.71 0.00 0.00 54.79 54.41 3k1d n ASP 596 Cb 0.16 0.90 0.15 0.00 -0.02 0.00 0.00 41.12 42.32 3k1d n ASP 596 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3k1d s GLU 597 N -2.28 0.88 -0.63 -1.24 2.02 -1.07 -4.94 118.70 111.45 3k1d s GLU 597 Ca 0.07 0.06 -0.02 0.00 0.02 0.00 0.00 54.97 55.10 3k1d s GLU 597 Cb 0.11 -1.83 0.42 0.00 0.10 0.00 0.00 34.13 32.93 3k1d s GLU 597 CO 0.56 -2.33 2.04 -1.71 0.02 0.00 0.00 175.26 173.84 3k1d n ASN 598 N -3.81 7.56 0.00 -0.19 4.05 -1.26 -4.93 115.26 116.69 3k1d n ASN 598 Ca 0.10 -3.70 0.00 0.00 0.45 0.00 0.00 54.58 51.42 3k1d n ASN 598 Cb 0.60 -0.99 0.00 0.00 1.23 0.00 0.00 39.78 40.61 3k1d n ASN 598 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3k1d n GLY 599 N -0.75 2.37 0.48 8.20 0.00 -1.26 -5.05 105.19 109.18 3k1d n GLY 599 Ca 0.59 -1.91 0.11 0.00 0.00 0.00 0.00 46.02 44.80 3k1d n GLY 599 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3k1d n PHE 600 N 0.00 0.00 -0.24 1.61 3.72 -1.26 -4.55 117.46 116.74 3k1d n PHE 600 Ca 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.35 3k1d n PHE 600 Cb 0.00 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.60 3k1d n PHE 600 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3k1d h SER 601 N 2.35 0.74 -0.22 4.37 0.02 -1.82 -1.21 113.55 117.77 3k1d h SER 601 Ca 0.00 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 3k1d h SER 601 Cb 0.73 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 3k1d h SER 601 CO 0.00 0.53 0.01 0.78 -1.14 0.00 0.00 176.83 177.01 3k1d h ASN 602 N 0.88 0.47 0.11 3.07 2.35 -1.82 -2.02 115.58 118.62 3k1d h ASN 602 Ca 0.26 -0.08 -0.12 0.00 -0.55 0.00 0.00 56.30 55.80 3k1d h ASN 602 Cb -0.05 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 3k1d h ASN 602 CO -0.08 0.53 -0.42 1.23 -1.65 0.00 0.00 177.43 177.04 3k1d h GLY 603 N 0.80 0.43 1.07 2.83 0.00 -1.54 -1.30 103.07 105.37 3k1d h GLY 603 Ca 0.11 -0.42 -0.20 0.00 0.00 0.00 0.00 47.33 46.81 3k1d h GLY 603 CO 0.01 0.38 -0.73 -2.22 0.00 0.00 0.00 176.54 173.99 3k1d h ILE 604 N 0.32 1.31 -0.50 2.60 2.04 -0.86 -1.98 117.51 120.45 3k1d h ILE 604 Ca 0.03 -1.97 -0.04 0.00 1.00 0.00 0.00 64.86 63.87 3k1d h ILE 604 Cb 0.88 2.14 -0.02 0.00 -0.74 0.00 0.00 36.82 39.08 3k1d h ILE 604 CO 0.07 0.61 0.14 -0.61 0.00 0.00 0.00 178.15 178.37 3k1d h GLN 605 N 0.36 0.74 -0.54 2.37 4.15 -0.98 -1.65 115.11 119.57 3k1d h GLN 605 Ca -0.06 -0.13 -0.11 0.00 0.77 0.00 0.00 58.65 59.12 3k1d h GLN 605 Cb 1.37 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.92 3k1d h GLN 605 CO 0.15 0.66 -0.10 -0.09 -1.93 0.00 0.00 178.83 177.52 3k1d h ARG 606 N 0.72 1.01 -0.70 1.69 2.43 -1.16 -2.40 114.38 115.98 3k1d h ARG 606 Ca 0.17 -0.37 -0.03 0.00 -0.81 0.00 0.00 59.98 58.94 3k1d h ARG 606 Cb 0.23 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 3k1d h ARG 606 CO -0.01 1.06 0.33 1.25 -1.51 0.00 0.00 179.97 181.09 3k1d h LEU 607 N 0.88 0.92 -0.86 3.80 5.85 -0.57 -1.61 115.31 123.73 3k1d h LEU 607 Ca 0.14 -0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.73 3k1d h LEU 607 Cb 0.66 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 3k1d h LEU 607 CO 0.05 0.80 0.57 0.58 -0.34 0.00 0.00 178.44 180.09 3k1d h VAL 608 N 0.98 1.22 -0.33 1.05 2.07 -1.16 0.15 116.25 120.23 3k1d h VAL 608 Ca 0.24 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3k1d h VAL 608 Cb 0.13 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.84 3k1d h VAL 608 CO -0.03 0.22 0.22 0.03 0.02 0.00 0.00 177.57 178.02 3k1d h ARG 609 N 1.16 0.44 -0.44 1.57 3.08 -1.05 -0.39 114.38 118.75 3k1d h ARG 609 Ca 0.31 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.28 3k1d h ARG 609 Cb -0.13 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 3k1d h ARG 609 CO -0.07 0.30 0.07 -0.44 -1.07 0.00 0.00 179.97 178.76 3k1d h ASP 610 N 0.45 0.71 0.40 7.04 3.32 -0.50 -0.59 116.42 127.23 3k1d h ASP 610 Ca 0.12 -0.26 -0.10 0.00 0.02 0.00 0.00 57.03 56.80 3k1d h ASP 610 Cb -0.04 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 3k1d h ASP 610 CO -0.03 0.79 -0.46 0.16 -1.72 0.00 0.00 179.24 177.99 3k1d h ILE 611 N 0.60 1.33 -0.55 0.35 3.07 -0.58 -1.35 117.51 120.38 3k1d h ILE 611 Ca 0.13 -1.61 -0.11 0.00 1.55 0.00 0.00 64.86 64.82 3k1d h ILE 611 Cb 0.39 1.83 -0.02 0.00 -0.27 0.00 0.00 36.82 38.75 3k1d h ILE 611 CO 0.01 0.47 -0.08 0.78 -1.05 0.00 0.00 178.15 178.27 3k1d h ASN 612 N 0.07 1.01 -0.40 2.16 2.35 -0.86 0.66 115.58 120.57 3k1d h ASN 612 Ca 0.00 -0.32 -0.07 0.00 -0.55 0.00 0.00 56.30 55.36 3k1d h ASN 612 Cb 0.85 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 3k1d h ASN 612 CO 0.06 1.10 -0.02 -0.78 -1.65 0.00 0.00 177.43 176.15 3k1d h ASP 613 N 0.91 0.71 -0.28 5.81 3.58 -0.71 -0.39 116.42 126.05 3k1d h ASP 613 Ca 0.15 -0.32 -0.06 0.00 0.42 0.00 0.00 57.03 57.22 3k1d h ASP 613 Cb 0.64 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 3k1d h ASP 613 CO 0.04 0.85 -0.06 0.40 -2.88 0.00 0.00 179.24 177.60 3k1d h ILE 614 N 0.54 1.28 0.21 2.25 2.04 -1.22 -3.10 117.51 119.51 3k1d h ILE 614 Ca 0.11 -1.07 0.01 0.00 1.00 0.00 0.00 64.86 64.91 3k1d h ILE 614 Cb 0.50 1.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.94 3k1d h ILE 614 CO 0.02 0.34 -0.48 0.22 0.00 0.00 0.00 178.15 178.26 3k1d h TYR 615 N 0.30 -1.35 -0.68 1.37 3.20 -0.67 -0.76 116.97 118.39 3k1d h TYR 615 Ca 0.07 0.03 0.11 0.00 3.14 0.00 0.00 58.73 62.08 3k1d h TYR 615 Cb 0.53 0.56 -0.04 0.00 1.54 0.00 0.00 36.73 39.32 3k1d h TYR 615 CO 0.05 -0.58 0.45 0.00 -1.64 0.00 0.00 178.16 176.44 3k1d h ARG 616 N -0.77 0.45 -0.01 1.82 3.08 -1.12 -2.48 114.38 115.34 3k1d h ARG 616 Ca -0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3k1d h ARG 616 Cb 0.75 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.70 3k1d h ARG 616 CO -0.22 0.29 -0.39 0.00 -1.07 0.00 0.00 179.97 178.59 3k1d s HIS 618 N -2.55 3.57 0.25 0.00 3.76 -0.32 -4.96 115.29 115.04 3k1d s HIS 618 Ca 0.21 -2.78 0.25 0.00 -0.15 0.00 0.00 55.06 52.59 3k1d s HIS 618 Cb 0.19 -3.06 1.36 0.00 1.11 0.00 0.00 32.58 32.17 3k1d s HIS 618 CO 0.57 -0.91 1.73 -1.35 -0.85 0.00 0.00 174.74 173.93 3k1d h PRO 619 N 7.52 0.00 0.00 8.40 0.11 -1.86 -0.84 132.00 145.33 3k1d h PRO 619 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3k1d h PRO 619 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3k1d h PRO 619 CO 0.64 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.43 3k1d h ALA 620 N 1.56 1.00 -0.02 -0.75 0.00 -1.86 -0.46 119.26 118.73 3k1d h ALA 620 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3k1d h ALA 620 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3k1d h ALA 620 CO 0.00 0.00 -0.20 1.28 0.00 0.00 0.00 179.25 180.33 3k1d n LEU 621 N -3.00 1.80 0.00 0.00 4.77 -0.32 -3.72 117.00 116.53 3k1d n LEU 621 Ca -0.01 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.37 3k1d n LEU 621 Cb 0.19 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3k1d n LEU 621 CO 0.23 0.32 0.00 -2.67 -1.33 0.00 0.00 177.39 173.94 3k1d n TRP 622 N 0.12 0.00 0.17 -1.77 4.27 -1.01 -4.87 117.44 114.35 3k1d n TRP 622 Ca 0.13 0.00 0.06 0.00 -3.89 0.00 0.00 57.50 53.80 3k1d n TRP 622 Cb 0.43 0.00 0.11 0.00 -1.36 0.00 0.00 31.31 30.49 3k1d n TRP 622 CO 0.00 0.00 0.00 0.66 -2.29 0.00 0.00 177.69 176.06 3k1d h SER 623 N 0.00 0.00 -1.04 -0.67 4.64 -1.29 -3.36 113.55 111.83 3k1d h SER 623 Ca 0.00 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.87 3k1d h SER 623 Cb 0.03 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 61.71 3k1d h SER 623 CO 0.00 0.33 -0.96 0.18 -0.87 0.00 0.00 176.83 175.51 3k1d n LEU 624 N -3.20 3.20 0.15 5.97 4.77 -1.26 -4.69 117.00 121.93 3k1d n LEU 624 Ca 0.02 -4.30 0.00 0.00 -0.03 0.00 0.00 56.01 51.70 3k1d n LEU 624 Cb 0.65 -0.00 0.27 0.00 -2.33 0.00 0.00 43.42 42.00 3k1d n LEU 624 CO 0.38 1.81 0.64 0.44 -1.33 0.00 0.00 177.39 179.32 3k1d h ASP 625 N 2.65 0.06 -0.35 -1.43 3.32 -1.87 -3.27 116.42 115.52 3k1d h ASP 625 Ca 0.11 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3k1d h ASP 625 Cb 1.17 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.70 3k1d h ASP 625 CO 0.61 0.51 0.00 0.35 -1.72 0.00 0.00 179.24 178.99 3k1d n THR 626 N -4.00 0.46 -4.08 0.35 -2.24 -1.26 -4.27 114.28 99.25 3k1d n THR 626 Ca -0.02 -0.54 -0.12 0.00 -2.27 0.00 0.00 64.05 61.11 3k1d n THR 626 Cb 0.48 0.42 -0.11 0.00 -2.10 0.00 0.00 70.33 69.03 3k1d n THR 626 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3k1d s THR 627 N -1.54 0.50 0.45 4.28 -1.32 -1.23 -4.84 115.64 111.94 3k1d s THR 627 Ca 0.32 -1.27 0.34 0.00 -1.21 0.00 0.00 61.69 59.87 3k1d s THR 627 Cb 0.17 -0.83 0.36 0.00 -1.51 0.00 0.00 72.50 70.69 3k1d s THR 627 CO 0.24 -0.53 2.16 -0.65 -2.21 0.00 0.00 174.62 173.64 3k1d h PRO 628 N 4.14 0.00 0.00 7.08 0.11 -1.91 -2.29 132.00 139.13 3k1d h PRO 628 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3k1d h PRO 628 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3k1d h PRO 628 CO 0.47 0.05 0.00 0.93 -0.21 0.00 0.00 178.00 179.24 3k1d h GLU 629 N 0.00 0.00 -0.53 1.05 4.39 -1.95 -1.61 114.58 115.93 3k1d h GLU 629 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3k1d h GLU 629 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3k1d h GLU 629 CO 0.01 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.27 3k1d n GLY 630 N -0.74 1.47 3.11 -3.84 0.00 -0.86 -4.62 105.19 99.72 3k1d n GLY 630 Ca -0.02 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 3k1d n GLY 630 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3k1d s TYR 631 N -1.34 0.19 -0.30 1.61 5.04 -0.60 -1.32 117.35 120.63 3k1d s TYR 631 Ca 0.35 -0.47 -0.13 0.00 -2.44 0.00 0.00 57.07 54.38 3k1d s TYR 631 Cb 0.18 -0.14 0.13 0.00 0.35 0.00 0.00 41.96 42.49 3k1d s TYR 631 CO 0.23 -0.34 0.77 0.45 -1.34 0.00 0.00 175.55 175.32 3k1d s SER 632 N -2.00 -0.91 0.26 4.32 0.15 -0.66 -4.94 113.70 109.92 3k1d s SER 632 Ca -0.07 1.30 -0.29 0.00 0.70 0.00 0.00 55.95 57.59 3k1d s SER 632 Cb -0.02 1.88 -0.09 0.00 -1.71 0.00 0.00 66.02 66.07 3k1d s SER 632 CO -0.04 -0.19 1.26 0.26 1.20 0.00 0.00 173.24 175.73 3k1d s TRP 633 N 2.41 3.26 -0.22 3.44 0.52 -1.26 0.11 118.94 127.20 3k1d s TRP 633 Ca -0.06 1.40 -0.16 0.00 0.02 0.00 0.00 56.10 57.30 3k1d s TRP 633 Cb -0.08 -3.55 -0.11 0.00 -1.15 0.00 0.00 33.47 28.57 3k1d s TRP 633 CO -0.18 -1.56 -0.19 -0.89 0.02 0.00 0.00 176.95 174.15 3k1d n ILE 634 N 1.65 1.51 -3.35 2.03 5.41 -0.18 -4.82 119.36 121.61 3k1d n ILE 634 Ca 0.02 -0.12 -0.12 0.00 1.00 0.00 0.00 62.75 63.54 3k1d n ILE 634 Cb 0.43 -2.08 -0.08 0.00 -0.71 0.00 0.00 39.64 37.20 3k1d n ILE 634 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3k1d s ASP 635 N -6.80 0.80 0.00 4.38 2.15 -0.94 -4.93 116.67 111.32 3k1d s ASP 635 Ca -0.31 -0.35 0.27 0.00 0.43 0.00 0.00 52.55 52.59 3k1d s ASP 635 Cb 0.09 0.89 0.86 0.00 -0.30 0.00 0.00 42.92 44.46 3k1d s ASP 635 CO 0.47 -0.35 1.63 0.00 -0.17 0.00 0.00 175.17 176.75 3k1d n ALA 636 N 5.34 2.83 -2.53 3.66 0.00 -1.26 -3.24 120.51 125.30 3k1d n ALA 636 Ca -0.01 -0.44 -0.25 0.00 0.00 0.00 0.00 53.44 52.73 3k1d n ALA 636 Cb 0.49 -1.13 -0.00 0.00 0.00 0.00 0.00 19.45 18.81 3k1d n ALA 636 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3k1d n ASN 637 N -0.18 4.36 -2.88 0.00 3.02 -1.26 -4.83 115.26 113.49 3k1d n ASN 637 Ca 0.15 -3.62 -0.29 0.00 -0.03 0.00 0.00 54.58 50.80 3k1d n ASN 637 Cb 0.36 -0.47 -0.02 0.00 -0.61 0.00 0.00 39.78 39.04 3k1d n ASN 637 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3k1d n ASP 638 N -0.42 5.01 0.23 6.41 -0.08 -1.26 -4.77 116.55 121.68 3k1d n ASP 638 Ca 0.36 -3.71 0.10 0.00 -1.51 0.00 0.00 54.79 50.02 3k1d n ASP 638 Cb 0.66 -0.62 0.55 0.00 2.34 0.00 0.00 41.12 44.05 3k1d n ASP 638 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3k1d h SER 639 N 2.99 0.00 -0.69 1.67 4.64 -1.88 -0.40 113.55 119.89 3k1d h SER 639 Ca 0.24 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.56 3k1d h SER 639 Cb 0.58 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.63 3k1d h SER 639 CO 0.90 0.22 0.41 0.00 -0.87 0.00 0.00 176.83 177.48 3k1d h ALA 640 N 1.78 1.40 -0.01 5.18 0.00 -1.93 -2.81 119.26 122.87 3k1d h ALA 640 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3k1d h ALA 640 Cb 0.56 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3k1d h ALA 640 CO 0.03 0.51 -0.27 0.09 0.00 0.00 0.00 179.25 179.61 3k1d n ASN 641 N -4.39 1.79 -3.33 0.00 5.03 -1.06 -4.99 115.26 108.31 3k1d n ASN 641 Ca 0.07 -1.39 -0.20 0.00 0.87 0.00 0.00 54.58 53.93 3k1d n ASN 641 Cb 0.08 0.37 0.08 0.00 -1.02 0.00 0.00 39.78 39.29 3k1d n ASN 641 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3k1d n ASN 642 N 0.10 -4.62 -4.36 6.41 5.03 -0.20 -4.28 115.26 113.33 3k1d n ASN 642 Ca 0.07 -0.53 -0.32 0.00 0.87 0.00 0.00 54.58 54.67 3k1d n ASN 642 Cb 0.36 -4.75 -0.15 0.00 -1.02 0.00 0.00 39.78 34.22 3k1d n ASN 642 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3k1d s VAL 643 N -3.31 2.56 -0.10 2.41 1.01 -0.91 -0.72 120.40 121.34 3k1d s VAL 643 Ca 0.35 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.45 3k1d s VAL 643 Cb -0.15 -1.97 0.01 0.00 0.00 0.00 0.00 36.38 34.27 3k1d s VAL 643 CO 0.68 0.57 -0.15 -0.76 0.00 0.00 0.00 175.10 175.44 3k1d s LEU 644 N -0.38 1.72 0.00 3.92 1.43 -0.36 -4.13 118.68 120.89 3k1d s LEU 644 Ca 0.03 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 3k1d s LEU 644 Cb -0.12 -1.05 -0.01 0.00 0.03 0.00 0.00 46.19 45.04 3k1d s LEU 644 CO 0.02 0.03 -0.05 -0.94 0.23 0.00 0.00 176.35 175.64 3k1d s SER 645 N 0.86 0.56 0.21 2.29 1.04 -1.20 0.12 113.70 117.58 3k1d s SER 645 Ca -0.09 -0.16 -0.22 0.00 0.48 0.00 0.00 55.95 55.95 3k1d s SER 645 Cb -0.15 -0.04 0.05 0.00 0.10 0.00 0.00 66.02 65.97 3k1d s SER 645 CO 0.01 0.01 0.71 0.72 0.98 0.00 0.00 173.24 175.67 3k1d s PHE 646 N -0.32 -0.31 0.12 5.02 -0.12 -0.43 -1.01 117.98 120.93 3k1d s PHE 646 Ca -0.00 -0.04 0.05 0.00 -0.05 0.00 0.00 56.93 56.89 3k1d s PHE 646 Cb -0.03 0.64 -0.04 0.00 -0.63 0.00 0.00 43.02 42.96 3k1d s PHE 646 CO -0.00 -1.03 0.03 -1.64 -0.05 0.00 0.00 175.22 172.52 3k1d s MET 647 N -3.76 2.60 -0.04 1.99 -1.94 0.31 -0.80 119.30 117.66 3k1d s MET 647 Ca 0.08 -0.88 0.06 0.00 -1.71 0.00 0.00 55.69 53.23 3k1d s MET 647 Cb -0.04 -2.54 -0.01 0.00 2.01 0.00 0.00 34.83 34.26 3k1d s MET 647 CO -0.01 0.52 -0.21 1.03 -0.01 0.00 0.00 175.02 176.34 3k1d s ARG 648 N -2.57 1.97 -0.03 2.03 1.81 -0.27 -1.66 118.95 120.23 3k1d s ARG 648 Ca 0.27 -0.76 0.05 0.00 -1.72 0.00 0.00 55.73 53.58 3k1d s ARG 648 Cb -0.11 -1.77 -0.01 0.00 -0.45 0.00 0.00 34.95 32.61 3k1d s ARG 648 CO 0.19 0.38 -0.20 0.71 -0.68 0.00 0.00 175.30 175.70 3k1d s TYR 649 N -0.25 1.89 0.32 -0.53 2.02 -0.43 -1.79 117.35 118.58 3k1d s TYR 649 Ca 0.02 -0.47 0.04 0.00 -0.37 0.00 0.00 57.07 56.29 3k1d s TYR 649 Cb -0.11 -1.24 -0.02 0.00 -0.40 0.00 0.00 41.96 40.19 3k1d s TYR 649 CO 0.01 -0.12 0.47 0.20 -1.57 0.00 0.00 175.55 174.55 3k1d s GLY 650 N -0.22 1.44 0.00 0.71 0.00 -0.82 -4.32 107.32 104.10 3k1d s GLY 650 Ca 0.01 -1.26 0.22 0.00 0.00 0.00 0.00 44.72 43.70 3k1d s GLY 650 CO 0.01 -1.20 1.71 -1.14 0.00 0.00 0.00 173.10 172.48 3k1d n SER 651 N -1.65 0.00 -1.18 1.64 3.41 -1.26 -2.02 113.62 112.57 3k1d n SER 651 Ca -0.03 -0.64 0.08 0.00 -0.26 0.00 0.00 58.87 58.02 3k1d n SER 651 Cb 0.57 -0.03 0.29 0.00 -0.26 0.00 0.00 64.21 64.79 3k1d n SER 651 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3k1d n ASP 652 N -1.03 4.25 0.00 4.04 5.75 -1.26 -4.95 116.55 123.35 3k1d n ASP 652 Ca 0.16 -2.71 0.00 0.00 -0.01 0.00 0.00 54.79 52.23 3k1d n ASP 652 Cb 0.09 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.65 3k1d n ASP 652 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3k1d n GLY 653 N 0.21 1.56 3.77 6.12 0.00 -0.86 -5.02 105.19 110.97 3k1d n GLY 653 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 3k1d n GLY 653 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k1d s SER 654 N -3.24 4.18 0.07 1.61 1.04 -1.26 -4.84 113.70 111.26 3k1d s SER 654 Ca 0.00 1.42 -0.08 0.00 0.48 0.00 0.00 55.95 57.78 3k1d s SER 654 Cb 0.00 -2.14 -0.01 0.00 0.10 0.00 0.00 66.02 63.97 3k1d s SER 654 CO 0.00 -2.18 0.16 0.54 0.98 0.00 0.00 173.24 172.74 3k1d s VAL 655 N -3.05 0.14 -0.15 5.02 0.11 -1.26 -1.95 120.40 119.26 3k1d s VAL 655 Ca 0.62 -1.19 -0.09 0.00 -2.93 0.00 0.00 61.98 58.39 3k1d s VAL 655 Cb -0.16 -1.25 0.06 0.00 -1.53 0.00 0.00 36.38 33.50 3k1d s VAL 655 CO 0.55 -0.66 0.37 -0.22 -3.33 0.00 0.00 175.10 171.82 3k1d s LEU 656 N -2.67 0.04 -0.20 2.54 2.96 -0.74 -4.64 118.68 115.97 3k1d s LEU 656 Ca 0.03 0.81 -0.08 0.00 -0.22 0.00 0.00 54.13 54.67 3k1d s LEU 656 Cb 0.04 1.21 -0.04 0.00 0.50 0.00 0.00 46.19 47.90 3k1d s LEU 656 CO -0.09 -0.18 0.07 0.00 -1.32 0.00 0.00 176.35 174.82 3k1d s ALA 657 N 1.33 3.38 -0.12 5.97 0.00 0.59 -1.12 121.76 131.79 3k1d s ALA 657 Ca -0.09 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.07 3k1d s ALA 657 Cb -0.09 -1.98 -0.00 0.00 0.00 0.00 0.00 23.12 21.05 3k1d s ALA 657 CO -0.11 0.03 -0.20 0.00 0.00 0.00 0.00 175.76 175.48 3k1d s VAL 659 N 0.50 1.14 -0.17 0.00 1.01 0.37 -1.31 120.40 121.94 3k1d s VAL 659 Ca -0.13 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 3k1d s VAL 659 Cb -0.17 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 3k1d s VAL 659 CO 0.05 0.38 -0.04 -0.36 0.00 0.00 0.00 175.10 175.13 3k1d s PHE 660 N 1.66 2.99 -0.42 5.22 0.08 0.12 -0.69 117.98 126.94 3k1d s PHE 660 Ca 0.05 -0.44 -0.06 0.00 0.12 0.00 0.00 56.93 56.60 3k1d s PHE 660 Cb -0.13 -1.98 0.10 0.00 -0.57 0.00 0.00 43.02 40.44 3k1d s PHE 660 CO -0.09 -0.15 0.24 1.21 -0.10 0.00 0.00 175.22 176.33 3k1d s ASN 661 N 0.60 5.42 0.00 1.36 2.47 0.25 -1.22 114.94 123.83 3k1d s ASN 661 Ca -0.03 -1.86 0.19 0.00 0.42 0.00 0.00 52.86 51.58 3k1d s ASN 661 Cb -0.14 -1.90 0.65 0.00 -1.45 0.00 0.00 41.25 38.41 3k1d s ASN 661 CO 0.03 -0.57 1.49 0.49 -3.72 0.00 0.00 177.10 174.81 3k1d n PHE 662 N 4.74 0.27 -2.45 0.43 3.72 0.11 -1.40 117.46 122.88 3k1d n PHE 662 Ca -0.06 -0.14 -0.30 0.00 -0.05 0.00 0.00 57.45 56.90 3k1d n PHE 662 Cb 0.42 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.94 3k1d n PHE 662 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3k1d s ALA 663 N -1.73 3.24 -2.12 4.37 0.00 -1.25 -4.76 121.76 119.51 3k1d s ALA 663 Ca 0.31 -0.17 0.26 0.00 0.00 0.00 0.00 51.96 52.35 3k1d s ALA 663 Cb 0.17 -2.86 1.35 0.00 0.00 0.00 0.00 23.12 21.78 3k1d s ALA 663 CO 0.24 -0.32 1.89 0.41 0.00 0.00 0.00 175.76 177.99 3k1d n GLY 664 N -1.97 -0.66 3.30 0.00 0.00 -1.26 -0.66 105.19 103.94 3k1d n GLY 664 Ca 0.04 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 3k1d n GLY 664 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1d s ALA 665 N -1.97 1.84 0.55 4.61 0.00 -1.26 -4.70 121.76 120.84 3k1d s ALA 665 Ca 0.38 -1.40 -0.17 0.00 0.00 0.00 0.00 51.96 50.76 3k1d s ALA 665 Cb 0.18 -0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 3k1d s ALA 665 CO 0.30 0.22 1.06 -1.83 0.00 0.00 0.00 175.76 175.50 3k1d s GLU 666 N -2.64 3.48 -0.32 0.00 -1.05 -1.26 -4.26 118.70 112.64 3k1d s GLU 666 Ca 0.13 1.28 0.01 0.00 -0.15 0.00 0.00 54.97 56.24 3k1d s GLU 666 Cb -0.06 -2.05 0.08 0.00 -0.44 0.00 0.00 34.13 31.66 3k1d s GLU 666 CO 0.05 -0.69 0.02 -1.01 0.95 0.00 0.00 175.26 174.59 3k1d s HIS 667 N -2.25 3.46 0.43 4.83 3.76 -0.59 -4.93 115.29 120.01 3k1d s HIS 667 Ca 0.65 -2.41 -0.10 0.00 -0.15 0.00 0.00 55.06 53.05 3k1d s HIS 667 Cb -0.17 -2.49 -0.06 0.00 1.11 0.00 0.00 32.58 30.98 3k1d s HIS 667 CO 0.31 -0.90 0.80 1.03 -0.85 0.00 0.00 174.74 175.13 3k1d s ARG 668 N 1.09 3.75 -1.54 1.40 1.81 -1.26 -1.10 118.95 123.09 3k1d s ARG 668 Ca 0.01 0.48 -0.13 0.00 -1.72 0.00 0.00 55.73 54.37 3k1d s ARG 668 Cb -0.20 -2.35 0.09 0.00 -0.45 0.00 0.00 34.95 32.03 3k1d s ARG 668 CO -0.05 -0.10 0.88 -0.25 -0.68 0.00 0.00 175.30 175.11 3k1d n ASP 669 N -1.52 -3.90 -4.67 0.23 8.00 -1.20 -4.93 116.55 108.56 3k1d n ASP 669 Ca 0.03 -0.85 -0.41 0.00 0.71 0.00 0.00 54.79 54.27 3k1d n ASP 669 Cb 0.54 -3.60 -0.05 0.00 -0.02 0.00 0.00 41.12 37.99 3k1d n ASP 669 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3k1d s TYR 670 N -3.37 3.40 -0.21 1.24 5.04 -0.25 -4.83 117.35 118.37 3k1d s TYR 670 Ca 0.58 1.15 -0.18 0.00 -2.44 0.00 0.00 57.07 56.18 3k1d s TYR 670 Cb -0.30 -2.95 -0.03 0.00 0.35 0.00 0.00 41.96 39.03 3k1d s TYR 670 CO 0.85 -0.22 0.51 0.50 -1.34 0.00 0.00 175.55 175.85 3k1d s ARG 671 N 2.08 4.17 -0.19 4.97 3.52 -1.26 -1.44 118.95 130.80 3k1d s ARG 671 Ca 0.35 0.38 -0.02 0.00 -0.13 0.00 0.00 55.73 56.32 3k1d s ARG 671 Cb -0.16 -3.57 -0.00 0.00 -1.56 0.00 0.00 34.95 29.66 3k1d s ARG 671 CO 0.12 -0.16 -0.11 -1.17 -0.81 0.00 0.00 175.30 173.16 3k1d s LEU 672 N 1.69 2.62 0.28 -0.88 2.96 -0.05 -4.94 118.68 120.36 3k1d s LEU 672 Ca 0.23 -0.47 -0.29 0.00 -0.22 0.00 0.00 54.13 53.38 3k1d s LEU 672 Cb -0.15 -1.64 -0.10 0.00 0.50 0.00 0.00 46.19 44.81 3k1d s LEU 672 CO 0.09 0.01 1.21 -0.83 -1.32 0.00 0.00 176.35 175.52 3k1d s GLY 673 N 1.25 2.93 0.11 7.98 0.00 -1.26 -1.65 107.32 116.68 3k1d s GLY 673 Ca 0.03 1.06 0.02 0.00 0.00 0.00 0.00 44.72 45.84 3k1d s GLY 673 CO -0.05 1.76 -0.07 1.08 0.00 0.00 0.00 173.10 175.82 3k1d s LEU 674 N -1.30 2.49 0.21 0.66 1.43 0.95 -4.93 118.68 118.18 3k1d s LEU 674 Ca 0.48 -1.02 -0.02 0.00 -1.03 0.00 0.00 54.13 52.54 3k1d s LEU 674 Cb -0.35 -0.14 0.16 0.00 0.03 0.00 0.00 46.19 45.89 3k1d s LEU 674 CO 0.45 -0.44 1.55 -0.65 0.23 0.00 0.00 176.35 177.49 3k1d h PRO 675 N 2.90 0.58 -5.66 1.29 0.11 -1.97 -2.95 132.00 126.30 3k1d h PRO 675 Ca -0.36 -0.32 -0.52 0.00 0.11 0.00 0.00 66.00 64.91 3k1d h PRO 675 Cb 1.17 0.02 -0.14 0.00 0.11 0.00 0.00 31.00 32.16 3k1d h PRO 675 CO 0.64 0.92 -0.69 1.03 -0.21 0.00 0.00 178.00 179.69 3k1d s ARG 676 N -4.15 1.58 0.34 1.05 0.52 -1.26 -4.68 118.95 112.34 3k1d s ARG 676 Ca -0.08 -1.78 0.05 0.00 -0.52 0.00 0.00 55.73 53.40 3k1d s ARG 676 Cb 0.12 -1.31 0.06 0.00 0.52 0.00 0.00 34.95 34.34 3k1d s ARG 676 CO 0.83 0.11 0.46 0.00 0.02 0.00 0.00 175.30 176.72 3k1d n ALA 677 N -0.59 0.60 0.00 2.13 0.00 -1.26 -4.72 120.51 116.66 3k1d n ALA 677 Ca -0.06 -1.16 0.00 0.00 0.00 0.00 0.00 53.44 52.23 3k1d n ALA 677 Cb 0.63 0.30 0.00 0.00 0.00 0.00 0.00 19.45 20.37 3k1d n ALA 677 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k1d n GLY 678 N 1.02 -1.62 3.70 0.00 0.00 0.72 -4.81 105.19 104.19 3k1d n GLY 678 Ca 0.09 -1.74 -0.40 0.00 0.00 0.00 0.00 46.02 43.98 3k1d n GLY 678 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3k1d s ARG 679 N 0.00 4.36 -0.18 1.61 6.06 -1.26 0.14 118.95 129.68 3k1d s ARG 679 Ca 0.00 0.77 -0.01 0.00 -2.50 0.00 0.00 55.73 53.98 3k1d s ARG 679 Cb 0.00 -3.49 -0.00 0.00 0.06 0.00 0.00 34.95 31.52 3k1d s ARG 679 CO 0.00 -0.03 -0.11 -1.58 -2.50 0.00 0.00 175.30 171.08 3k1d s TRP 680 N 1.16 2.86 0.14 5.12 0.52 -0.03 -0.66 118.94 128.05 3k1d s TRP 680 Ca 0.34 -1.00 -0.29 0.00 0.02 0.00 0.00 56.10 55.17 3k1d s TRP 680 Cb -0.17 -1.97 -0.07 0.00 -1.15 0.00 0.00 33.47 30.11 3k1d s TRP 680 CO 0.15 -0.49 0.93 0.50 0.02 0.00 0.00 176.95 178.05 3k1d s ARG 681 N 1.04 4.71 -0.85 4.98 3.52 0.17 -1.50 118.95 131.03 3k1d s ARG 681 Ca -0.00 1.41 -0.21 0.00 -0.13 0.00 0.00 55.73 56.80 3k1d s ARG 681 Cb -0.15 -3.34 0.10 0.00 -1.56 0.00 0.00 34.95 30.00 3k1d s ARG 681 CO -0.02 0.32 1.13 -2.00 -0.81 0.00 0.00 175.30 173.92 3k1d s GLU 682 N -0.39 3.44 0.40 5.12 2.12 0.47 -1.46 118.70 128.40 3k1d s GLU 682 Ca 0.44 -1.34 0.22 0.00 0.36 0.00 0.00 54.97 54.65 3k1d s GLU 682 Cb -0.24 -4.75 0.28 0.00 0.26 0.00 0.00 34.13 29.68 3k1d s GLU 682 CO 0.30 -1.86 1.53 -0.39 -0.54 0.00 0.00 175.26 174.29 3k1d h VAL 683 N 6.02 0.06 -3.17 3.70 -1.51 -1.62 -3.46 116.25 116.28 3k1d h VAL 683 Ca 0.01 -1.09 -0.18 0.00 -1.23 0.00 0.00 66.70 64.21 3k1d h VAL 683 Cb 1.04 1.97 -0.27 0.00 -2.13 0.00 0.00 31.29 31.90 3k1d h VAL 683 CO 1.18 0.03 -0.48 -0.22 -1.23 0.00 0.00 177.57 176.86 3k1d s LEU 684 N -6.13 0.96 -0.28 4.19 2.96 -1.14 -4.97 118.68 114.28 3k1d s LEU 684 Ca 0.06 0.45 -0.00 0.00 -0.22 0.00 0.00 54.13 54.42 3k1d s LEU 684 Cb 0.06 0.72 0.14 0.00 0.50 0.00 0.00 46.19 47.61 3k1d s LEU 684 CO 0.69 -0.10 0.33 0.21 -1.32 0.00 0.00 176.35 176.15 3k1d s ASN 685 N 0.46 1.24 0.00 3.68 3.84 -1.26 -1.73 114.94 121.16 3k1d s ASN 685 Ca -0.03 -0.56 0.08 0.00 0.21 0.00 0.00 52.86 52.56 3k1d s ASN 685 Cb -0.04 0.69 0.43 0.00 -0.55 0.00 0.00 41.25 41.78 3k1d s ASN 685 CO -0.02 -0.37 1.13 0.35 -2.79 0.00 0.00 177.10 175.40 3k1d n THR 686 N 5.33 0.77 1.17 -5.21 -2.24 -0.91 -1.54 114.28 111.65 3k1d n THR 686 Ca -0.02 0.19 0.13 0.00 -2.27 0.00 0.00 64.05 62.08 3k1d n THR 686 Cb 0.48 -1.05 0.27 0.00 -2.10 0.00 0.00 70.33 67.92 3k1d n THR 686 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3k1d n ASP 687 N -1.27 2.42 -4.67 3.42 2.03 -1.26 -4.60 116.55 112.62 3k1d n ASP 687 Ca 0.04 -1.80 -0.41 0.00 0.52 0.00 0.00 54.79 53.13 3k1d n ASP 687 Cb 0.07 -0.01 0.01 0.00 -0.72 0.00 0.00 41.12 40.46 3k1d n ASP 687 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3k1d n ALA 688 N 0.88 0.91 0.28 -1.67 0.00 -0.59 -0.34 120.51 119.98 3k1d n ALA 688 Ca 0.16 0.28 0.12 0.00 0.00 0.00 0.00 53.44 54.00 3k1d n ALA 688 Cb 0.50 -2.20 0.80 0.00 0.00 0.00 0.00 19.45 18.55 3k1d n ALA 688 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3k1d h THR 689 N 2.00 0.72 0.00 0.00 1.35 -1.90 -1.10 112.91 113.98 3k1d h THR 689 Ca -0.46 -0.03 -0.01 0.00 -0.55 0.00 0.00 66.41 65.36 3k1d h THR 689 Cb 1.31 1.02 -0.00 0.00 -1.73 0.00 0.00 68.15 68.74 3k1d h THR 689 CO 0.59 0.01 -0.03 0.16 -0.25 0.00 0.00 175.52 176.00 3k1d h ILE 690 N 0.00 0.18 -0.02 6.82 3.07 -1.90 0.20 117.51 125.86 3k1d h ILE 690 Ca -0.00 -0.30 0.00 0.00 1.55 0.00 0.00 64.86 66.11 3k1d h ILE 690 Cb 0.02 1.25 0.00 0.00 -0.27 0.00 0.00 36.82 37.82 3k1d h ILE 690 CO 0.00 0.03 -0.25 -1.22 -1.05 0.00 0.00 178.15 175.67 3k1d n TYR 691 N -3.27 0.00 -2.14 0.16 4.01 -0.48 -4.79 117.16 110.66 3k1d n TYR 691 Ca -0.02 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.71 3k1d n TYR 691 Cb 0.19 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 3k1d n TYR 691 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3k1d n HIS 692 N 0.35 -0.07 -1.78 -0.72 8.25 0.70 -4.51 115.22 117.44 3k1d n HIS 692 Ca 0.12 0.01 -0.08 0.00 -0.26 0.00 0.00 57.72 57.51 3k1d n HIS 692 Cb 0.48 -1.16 0.05 0.00 1.12 0.00 0.00 29.99 30.48 3k1d n HIS 692 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3k1d n GLY 693 N -0.90 -0.34 0.26 -1.41 0.00 -0.84 -4.97 105.19 96.98 3k1d n GLY 693 Ca -0.01 -1.82 0.14 0.00 0.00 0.00 0.00 46.02 44.34 3k1d n GLY 693 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k1d n SER 694 N -3.14 0.87 0.00 1.61 3.41 -1.08 -4.31 113.62 110.98 3k1d n SER 694 Ca 0.05 -1.11 0.00 0.00 -0.26 0.00 0.00 58.87 57.55 3k1d n SER 694 Cb 0.19 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 3k1d n SER 694 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k1d n GLY 695 N 1.18 0.60 3.72 5.00 0.00 0.53 -4.89 105.19 111.32 3k1d n GLY 695 Ca 0.18 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3k1d n GLY 695 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k1d s ILE 696 N -2.00 4.25 0.00 -0.61 1.01 -1.26 -4.87 121.20 117.71 3k1d s ILE 696 Ca 0.00 1.67 0.00 0.00 0.00 0.00 0.00 60.65 62.32 3k1d s ILE 696 Cb 0.00 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.40 3k1d s ILE 696 CO 0.00 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.71 3k1d n GLY 697 N 2.89 1.66 0.54 6.18 0.00 -1.26 -4.65 105.19 110.55 3k1d n GLY 697 Ca 0.07 -0.83 0.07 0.00 0.00 0.00 0.00 46.02 45.33 3k1d n GLY 697 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3k1d n ASN 698 N -0.34 3.05 -2.86 1.61 3.02 -1.26 -4.77 115.26 113.70 3k1d n ASN 698 Ca 0.00 -2.58 -0.18 0.00 -0.03 0.00 0.00 54.58 51.79 3k1d n ASN 698 Cb 0.00 -0.35 0.06 0.00 -0.61 0.00 0.00 39.78 38.88 3k1d n ASN 698 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3k1d n LEU 699 N -0.37 -3.09 0.00 3.41 4.77 -1.26 -3.32 117.00 117.14 3k1d n LEU 699 Ca 0.14 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 3k1d n LEU 699 Cb 0.62 -2.44 0.00 0.00 -2.33 0.00 0.00 43.42 39.27 3k1d n LEU 699 CO 0.08 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 3k1d n GLY 700 N -1.64 3.02 0.00 -0.72 0.00 -1.26 -4.99 105.19 99.60 3k1d n GLY 700 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3k1d n GLY 700 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1d n GLY 701 N -2.00 0.01 3.11 -0.02 0.00 -1.21 -0.39 105.19 104.68 3k1d n GLY 701 Ca 0.00 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 3k1d n GLY 701 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k1d s VAL 702 N -2.00 0.37 -0.27 1.61 -7.23 -0.56 -4.88 120.40 107.44 3k1d s VAL 702 Ca 0.00 -1.75 -0.08 0.00 -1.81 0.00 0.00 61.98 58.34 3k1d s VAL 702 Cb 0.00 -1.44 -0.02 0.00 0.56 0.00 0.00 36.38 35.48 3k1d s VAL 702 CO 0.00 -0.90 0.09 -1.81 -0.31 0.00 0.00 175.10 172.17 3k1d s ASP 703 N -2.79 5.20 -0.22 4.85 1.01 -1.26 -0.85 116.67 122.61 3k1d s ASP 703 Ca 0.06 -0.33 -0.21 0.00 0.71 0.00 0.00 52.55 52.77 3k1d s ASP 703 Cb 0.05 -1.93 -0.02 0.00 1.01 0.00 0.00 42.92 42.03 3k1d s ASP 703 CO -0.07 -0.08 0.66 0.00 0.21 0.00 0.00 175.17 175.88 3k1d s ALA 704 N 1.60 3.57 0.60 5.23 0.00 0.38 -4.48 121.76 128.65 3k1d s ALA 704 Ca 0.06 -0.29 0.06 0.00 0.00 0.00 0.00 51.96 51.78 3k1d s ALA 704 Cb -0.16 -3.04 0.10 0.00 0.00 0.00 0.00 23.12 20.03 3k1d s ALA 704 CO 0.04 -0.67 0.80 0.25 0.00 0.00 0.00 175.76 176.18 3k1d n THR 705 N 4.90 0.00 -1.44 0.00 -2.24 0.73 -0.20 114.28 116.03 3k1d n THR 705 Ca -0.00 -1.66 -0.26 0.00 -2.27 0.00 0.00 64.05 59.86 3k1d n THR 705 Cb 0.49 -0.69 -0.04 0.00 -2.10 0.00 0.00 70.33 67.99 3k1d n THR 705 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3k1d n ASP 706 N -2.57 6.54 -4.17 3.42 8.00 -1.26 -2.23 116.55 124.28 3k1d n ASP 706 Ca 0.15 -3.23 -0.38 0.00 0.71 0.00 0.00 54.79 52.04 3k1d n ASP 706 Cb 0.55 -1.20 -0.10 0.00 -0.02 0.00 0.00 41.12 40.34 3k1d n ASP 706 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3k1d s ASP 707 N 0.23 5.42 0.54 -2.24 1.01 -1.26 -4.95 116.67 115.42 3k1d s ASP 707 Ca 0.56 -1.90 -0.21 0.00 0.71 0.00 0.00 52.55 51.71 3k1d s ASP 707 Cb 0.37 -1.90 -0.07 0.00 1.01 0.00 0.00 42.92 42.34 3k1d s ASP 707 CO -0.20 -0.58 0.99 -0.81 0.21 0.00 0.00 175.17 174.78 3k1d n PRO 708 N 4.73 1.11 -3.57 8.23 -0.04 -1.23 -3.13 135.00 141.09 3k1d n PRO 708 Ca -0.05 0.42 -0.12 0.00 -0.04 0.00 0.00 63.50 63.70 3k1d n PRO 708 Cb 0.41 -2.14 -0.06 0.00 -0.04 0.00 0.00 33.50 31.68 3k1d n PRO 708 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 3k1d s TRP 709 N -1.43 -0.47 -1.20 0.54 -0.11 -0.43 -4.92 118.94 110.92 3k1d s TRP 709 Ca 0.71 0.86 -0.04 0.00 1.22 0.00 0.00 56.10 58.85 3k1d s TRP 709 Cb -0.46 0.42 0.03 0.00 -1.50 0.00 0.00 33.47 31.96 3k1d s TRP 709 CO 0.51 -0.40 0.26 0.72 -4.62 0.00 0.00 176.95 173.42 3k1d n HIS 710 N 1.01 -1.62 -1.44 5.86 8.25 -1.26 0.70 115.22 126.71 3k1d n HIS 710 Ca -0.13 0.24 -0.10 0.00 -0.26 0.00 0.00 57.72 57.47 3k1d n HIS 710 Cb 0.57 -3.02 -0.04 0.00 1.12 0.00 0.00 29.99 28.62 3k1d n HIS 710 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3k1d n GLY 711 N -1.03 0.94 3.59 -1.41 0.00 -1.26 -4.96 105.19 101.06 3k1d n GLY 711 Ca -0.09 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 3k1d n GLY 711 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k1d s ARG 712 N -3.12 2.31 0.43 1.61 1.81 0.22 -5.03 118.95 117.17 3k1d s ARG 712 Ca 0.00 -0.90 0.13 0.00 -1.72 0.00 0.00 55.73 53.23 3k1d s ARG 712 Cb 0.00 -2.39 0.92 0.00 -0.45 0.00 0.00 34.95 33.04 3k1d s ARG 712 CO 0.00 0.54 1.96 -1.00 -0.68 0.00 0.00 175.30 176.13 3k1d h PRO 713 N 3.94 0.08 -5.04 3.54 0.13 -1.84 -1.14 132.00 131.68 3k1d h PRO 713 Ca -0.48 -0.02 -0.38 0.00 -0.87 0.00 0.00 66.00 64.25 3k1d h PRO 713 Cb 1.17 -0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.14 3k1d h PRO 713 CO 0.53 0.25 -0.64 0.00 -0.23 0.00 0.00 178.00 177.92 3k1d s ALA 714 N -4.67 1.86 0.18 -0.56 0.00 -1.11 -3.57 121.76 113.89 3k1d s ALA 714 Ca -0.04 -1.84 -0.18 0.00 0.00 0.00 0.00 51.96 49.89 3k1d s ALA 714 Cb 0.16 0.69 0.04 0.00 0.00 0.00 0.00 23.12 24.00 3k1d s ALA 714 CO 0.71 -0.33 0.52 -1.54 0.00 0.00 0.00 175.76 175.12 3k1d s SER 715 N -3.33 -0.30 0.02 0.00 1.04 -0.95 -0.04 113.70 110.14 3k1d s SER 715 Ca 0.33 -0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.37 3k1d s SER 715 Cb 0.07 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.74 3k1d s SER 715 CO 0.11 -1.02 -0.03 0.00 0.98 0.00 0.00 173.24 173.28 3k1d s ALA 716 N -3.84 0.15 -0.19 5.32 0.00 -0.66 -0.19 121.76 122.34 3k1d s ALA 716 Ca 0.07 -0.59 -0.08 0.00 0.00 0.00 0.00 51.96 51.36 3k1d s ALA 716 Cb -0.01 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 3k1d s ALA 716 CO -0.06 -0.15 0.08 0.08 0.00 0.00 0.00 175.76 175.72 3k1d s VAL 717 N -1.43 4.91 0.27 0.00 1.01 -1.26 -0.87 120.40 123.03 3k1d s VAL 717 Ca -0.15 0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.73 3k1d s VAL 717 Cb -0.10 -3.23 -0.00 0.00 0.00 0.00 0.00 36.38 33.05 3k1d s VAL 717 CO -0.01 0.44 0.49 -1.48 0.00 0.00 0.00 175.10 174.54 3k1d s LEU 718 N 0.51 0.40 -0.15 3.92 0.05 -0.52 -4.85 118.68 118.05 3k1d s LEU 718 Ca 0.04 -1.02 -0.06 0.00 0.05 0.00 0.00 54.13 53.14 3k1d s LEU 718 Cb -0.12 1.78 -0.04 0.00 -2.05 0.00 0.00 46.19 45.75 3k1d s LEU 718 CO 0.01 -1.19 0.07 0.54 -0.55 0.00 0.00 176.35 175.23 3k1d s VAL 719 N -3.78 4.92 -0.30 1.48 0.11 -1.26 -1.09 120.40 120.48 3k1d s VAL 719 Ca 0.23 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 59.20 3k1d s VAL 719 Cb -0.01 -3.17 -0.01 0.00 -1.53 0.00 0.00 36.38 31.66 3k1d s VAL 719 CO 0.11 0.53 0.12 -0.76 -3.33 0.00 0.00 175.10 171.77 3k1d s LEU 720 N -0.27 3.93 0.71 2.54 1.43 -0.26 -4.72 118.68 122.05 3k1d s LEU 720 Ca 0.09 -0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 52.54 3k1d s LEU 720 Cb -0.12 -1.97 0.03 0.00 0.03 0.00 0.00 46.19 44.16 3k1d s LEU 720 CO 0.01 -0.16 1.25 -2.84 0.23 0.00 0.00 176.35 174.84 3k1d s PRO 721 N 1.60 2.19 0.49 1.29 0.02 -1.26 -1.54 135.00 137.78 3k1d s PRO 721 Ca 0.05 1.92 -0.22 0.00 0.02 0.00 0.00 61.00 62.76 3k1d s PRO 721 Cb -0.17 -1.82 -0.07 0.00 0.02 0.00 0.00 34.50 32.47 3k1d s PRO 721 CO 0.05 -1.83 1.20 -1.25 -0.33 0.00 0.00 177.00 174.84 3k1d s PRO 722 N -3.70 3.58 -1.13 5.54 0.04 -1.26 -3.61 135.00 134.45 3k1d s PRO 722 Ca 0.78 1.84 -0.27 0.00 0.04 0.00 0.00 61.00 63.40 3k1d s PRO 722 Cb -0.33 -2.33 0.03 0.00 0.04 0.00 0.00 34.50 31.91 3k1d s PRO 722 CO 0.44 -0.72 0.69 2.41 0.04 0.00 0.00 177.00 179.86 3k1d n THR 723 N -0.70 -3.38 -4.07 1.26 -1.04 0.17 -4.93 114.28 101.59 3k1d n THR 723 Ca 0.08 -0.55 -0.13 0.00 -2.04 0.00 0.00 64.05 61.41 3k1d n THR 723 Cb 0.48 -2.75 -0.04 0.00 -1.82 0.00 0.00 70.33 66.19 3k1d n THR 723 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3k1d s SER 724 N -3.42 0.68 -0.03 8.00 1.04 -0.49 -4.34 113.70 115.14 3k1d s SER 724 Ca 0.40 -1.38 0.02 0.00 0.48 0.00 0.00 55.95 55.47 3k1d s SER 724 Cb -0.21 0.65 0.01 0.00 0.10 0.00 0.00 66.02 66.57 3k1d s SER 724 CO 0.94 -1.27 -0.06 0.00 0.98 0.00 0.00 173.24 173.83 3k1d s ALA 725 N -3.22 0.72 -0.05 5.32 0.00 -1.26 -0.58 121.76 122.69 3k1d s ALA 725 Ca 0.29 -0.19 0.07 0.00 0.00 0.00 0.00 51.96 52.13 3k1d s ALA 725 Cb -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 3k1d s ALA 725 CO 0.18 0.07 -0.25 -0.51 0.00 0.00 0.00 175.76 175.25 3k1d s LEU 726 N 0.48 2.08 -0.02 0.00 1.43 0.13 -2.13 118.68 120.65 3k1d s LEU 726 Ca -0.07 -0.49 0.06 0.00 -1.03 0.00 0.00 54.13 52.60 3k1d s LEU 726 Cb -0.11 -1.37 -0.01 0.00 0.03 0.00 0.00 46.19 44.73 3k1d s LEU 726 CO 0.00 0.27 -0.21 0.26 0.23 0.00 0.00 176.35 176.91 3k1d s TRP 727 N -0.32 1.90 0.03 0.29 0.52 -0.71 -0.48 118.94 120.17 3k1d s TRP 727 Ca 0.01 -0.41 0.02 0.00 0.02 0.00 0.00 56.10 55.74 3k1d s TRP 727 Cb -0.12 -1.23 -0.02 0.00 -1.15 0.00 0.00 33.47 30.94 3k1d s TRP 727 CO 0.02 -0.07 -0.07 -0.51 0.02 0.00 0.00 176.95 176.34 3k1d s LEU 728 N -0.37 2.19 0.02 2.99 1.43 0.89 -1.69 118.68 124.15 3k1d s LEU 728 Ca 0.05 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 52.74 3k1d s LEU 728 Cb -0.09 -0.17 -0.02 0.00 0.03 0.00 0.00 46.19 45.94 3k1d s LEU 728 CO 0.00 -0.14 -0.06 0.42 0.23 0.00 0.00 176.35 176.80 3k1d s THR 729 N -1.05 0.46 0.44 5.49 -4.23 -0.53 -0.30 115.64 115.92 3k1d s THR 729 Ca -0.07 -0.72 -0.25 0.00 -1.18 0.00 0.00 61.69 59.47 3k1d s THR 729 Cb -0.08 -0.48 -0.09 0.00 1.34 0.00 0.00 72.50 73.19 3k1d s THR 729 CO 0.00 -0.19 1.24 -2.65 -0.54 0.00 0.00 174.62 172.48 3k1d n PRO 730 N 2.07 1.79 0.00 3.99 -0.02 -1.26 0.45 135.00 142.02 3k1d n PRO 730 Ca -0.19 0.64 0.05 0.00 -2.02 0.00 0.00 63.50 61.98 3k1d n PRO 730 Cb 0.56 -2.36 0.29 0.00 -0.02 0.00 0.00 33.50 31.97 3k1d n PRO 730 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48