#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kow n GLN 6 N 0.00 0.00 -3.37 1.96 7.27 -1.26 -5.07 117.38 116.91 3kow n GLN 6 Ca 0.00 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 56.88 3kow n GLN 6 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 3kow n GLN 6 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3kow n LEU 7 N 0.00 -1.31 -4.73 1.69 4.77 -1.26 -4.99 117.00 111.17 3kow n LEU 7 Ca 0.00 -0.65 -0.41 0.00 -0.03 0.00 0.00 56.01 54.92 3kow n LEU 7 Cb 0.00 -1.13 -0.03 0.00 -2.33 0.00 0.00 43.42 39.93 3kow n LEU 7 CO 0.00 0.27 0.85 -0.13 -1.33 0.00 0.00 177.39 177.05 3kow s ARG 8 N -3.90 4.51 0.00 3.23 0.52 -1.26 -4.87 118.95 117.17 3kow s ARG 8 Ca 0.03 1.79 0.20 0.00 -0.52 0.00 0.00 55.73 57.22 3kow s ARG 8 Cb -0.00 -3.28 1.06 0.00 0.52 0.00 0.00 34.95 33.24 3kow s ARG 8 CO 0.64 -0.08 1.61 1.33 0.02 0.00 0.00 175.30 178.82 3kow n VAL 9 N 2.86 0.29 -0.04 3.52 0.24 -1.26 -2.63 118.33 121.31 3kow n VAL 9 Ca 0.05 0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.42 3kow n VAL 9 Cb 0.46 -0.75 0.00 0.00 -1.47 0.00 0.00 33.84 32.08 3kow n VAL 9 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3kow n ASN 10 N -1.21 1.61 -4.75 -1.34 6.94 -1.26 -4.97 115.26 110.29 3kow n ASN 10 Ca 0.11 -1.66 -0.33 0.00 -0.02 0.00 0.00 54.58 52.69 3kow n ASN 10 Cb 0.13 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.48 3kow n ASN 10 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3kow s GLU 11 N -0.66 2.95 0.71 -3.83 2.02 -1.08 -5.11 118.70 113.72 3kow s GLU 11 Ca 0.00 -0.55 -0.15 0.00 0.02 0.00 0.00 54.97 54.29 3kow s GLU 11 Cb 0.00 -2.78 0.03 0.00 0.10 0.00 0.00 34.13 31.48 3kow s GLU 11 CO 0.00 0.63 1.19 0.15 0.02 0.00 0.00 175.26 177.25 3kow s LYS 12 N -1.73 2.28 0.17 1.61 1.02 -1.26 -4.82 119.74 117.02 3kow s LYS 12 Ca 0.22 1.69 -0.32 0.00 0.02 0.00 0.00 55.97 57.58 3kow s LYS 12 Cb -0.12 -1.86 -0.12 0.00 -0.52 0.00 0.00 37.83 35.22 3kow s LYS 12 CO 0.13 -1.71 1.77 1.28 -0.92 0.00 0.00 175.35 175.91 3kow n LEU 13 N -2.64 3.99 -4.51 3.17 4.77 -1.26 -4.91 117.00 115.61 3kow n LEU 13 Ca 0.13 1.03 -0.43 0.00 -0.03 0.00 0.00 56.01 56.70 3kow n LEU 13 Cb 0.51 -1.56 -0.01 0.00 -2.33 0.00 0.00 43.42 40.03 3kow n LEU 13 CO 0.47 0.17 1.54 -0.62 -1.33 0.00 0.00 177.39 177.62 3kow s ASP 14 N 1.87 6.87 0.62 -1.43 2.15 -1.26 -4.79 116.67 120.69 3kow s ASP 14 Ca 0.78 -2.51 0.34 0.00 0.43 0.00 0.00 52.55 51.59 3kow s ASP 14 Cb -0.50 -2.48 1.91 0.00 -0.30 0.00 0.00 42.92 41.55 3kow s ASP 14 CO 0.35 -1.01 2.19 1.62 -0.17 0.00 0.00 175.17 178.15 3kow h VAL 15 N 5.36 0.30 0.09 1.11 3.04 -1.94 -2.22 116.25 121.99 3kow h VAL 15 Ca 0.32 0.00 -0.17 0.00 -1.01 0.00 0.00 66.70 65.84 3kow h VAL 15 Cb 0.91 0.90 0.02 0.00 -2.01 0.00 0.00 31.29 31.11 3kow h VAL 15 CO 1.32 0.00 -0.73 -0.08 -1.01 0.00 0.00 177.57 177.06 3kow h GLU 16 N 0.00 0.34 -0.32 4.17 4.81 -1.99 -3.16 114.58 118.44 3kow h GLU 16 Ca 0.03 -0.49 -0.10 0.00 -0.13 0.00 0.00 59.36 58.68 3kow h GLU 16 Cb 0.26 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3kow h GLU 16 CO -0.00 1.19 -0.21 -0.97 -0.73 0.00 0.00 179.01 178.29 3kow h ASN 17 N -0.26 0.61 -0.15 1.04 -1.24 -1.82 -2.88 115.58 110.88 3kow h ASN 17 Ca -0.12 -0.20 0.04 0.00 0.71 0.00 0.00 56.30 56.73 3kow h ASN 17 Cb 1.51 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 40.39 3kow h ASN 17 CO 0.14 0.82 0.13 0.40 -1.29 0.00 0.00 177.43 177.64 3kow h ILE 18 N 0.54 0.70 0.00 2.57 2.04 -1.47 -1.96 117.51 119.93 3kow h ILE 18 Ca 0.08 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.83 3kow h ILE 18 Cb 0.66 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 3kow h ILE 18 CO 0.05 0.00 -0.53 -0.07 0.00 0.00 0.00 178.15 177.60 3kow h LEU 19 N 0.00 0.00 -9.79 1.44 3.38 -1.47 -3.43 115.31 105.44 3kow h LEU 19 Ca 0.07 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.52 3kow h LEU 19 Cb 0.34 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.14 3kow h LEU 19 CO -0.00 0.53 0.70 -0.54 0.09 0.00 0.00 178.44 179.22 3kow s LYS 20 N -2.95 4.31 -1.18 1.13 1.02 -0.74 -3.60 119.74 117.74 3kow s LYS 20 Ca 0.04 2.25 0.00 0.00 0.02 0.00 0.00 55.97 58.28 3kow s LYS 20 Cb 0.08 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.29 3kow s LYS 20 CO 0.75 -0.32 0.00 -0.25 -0.92 0.00 0.00 175.35 174.61 3kow n ASP 21 N 1.74 -4.23 0.00 2.83 8.00 -1.26 -4.88 116.55 118.75 3kow n ASP 21 Ca 0.04 0.20 0.03 0.00 0.71 0.00 0.00 54.79 55.77 3kow n ASP 21 Cb 0.41 -2.98 0.19 0.00 -0.02 0.00 0.00 41.12 38.72 3kow n ASP 21 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3kow n LEU 22 N -1.46 0.00 0.07 0.64 4.77 -1.24 -1.41 117.00 118.38 3kow n LEU 22 Ca -0.13 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 55.97 3kow n LEU 22 Cb 0.46 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.50 3kow n LEU 22 CO 0.18 0.00 -0.20 -0.90 -1.33 0.00 0.00 177.39 175.13 3kow n ASP 23 N -0.87 0.59 -1.58 -1.43 5.75 -1.26 -3.84 116.55 113.91 3kow n ASP 23 Ca 0.05 0.21 -0.04 0.00 -0.01 0.00 0.00 54.79 55.00 3kow n ASP 23 Cb 0.02 0.91 0.26 0.00 -1.03 0.00 0.00 41.12 41.28 3kow n ASP 23 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3kow n LYS 24 N -2.52 2.96 -3.45 0.11 4.76 -0.50 -4.97 118.16 114.55 3kow n LYS 24 Ca -0.01 -3.05 -0.37 0.00 -2.87 0.00 0.00 58.31 52.01 3kow n LYS 24 Cb 0.55 -2.04 -0.07 0.00 -1.84 0.00 0.00 35.03 31.64 3kow n LYS 24 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3kow s TYR 25 N -3.05 3.50 -0.01 2.13 5.04 -1.23 -5.06 117.35 118.66 3kow s TYR 25 Ca 0.50 0.74 0.04 0.00 -2.44 0.00 0.00 57.07 55.91 3kow s TYR 25 Cb 0.42 -2.42 -0.01 0.00 0.35 0.00 0.00 41.96 40.30 3kow s TYR 25 CO 0.09 0.24 -0.14 0.99 -1.34 0.00 0.00 175.55 175.39 3kow s THR 26 N 0.43 1.09 0.59 4.34 2.01 -1.26 -5.09 115.64 117.74 3kow s THR 26 Ca 0.21 -0.61 -0.18 0.00 0.31 0.00 0.00 61.69 61.42 3kow s THR 26 Cb -0.14 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 3kow s THR 26 CO 0.07 0.29 1.14 -2.16 -0.69 0.00 0.00 174.62 173.27 3kow s PRO 27 N -0.36 3.09 0.17 4.92 0.04 -1.26 -4.95 135.00 136.66 3kow s PRO 27 Ca 0.05 1.60 -0.07 0.00 0.04 0.00 0.00 61.00 62.62 3kow s PRO 27 Cb -0.05 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.56 3kow s PRO 27 CO -0.00 -1.06 1.50 -0.22 0.04 0.00 0.00 177.00 177.26 3kow h LYS 28 N 0.78 0.76 -4.72 4.56 3.64 -1.96 -3.47 116.57 116.16 3kow h LYS 28 Ca -0.49 -0.42 -0.33 0.00 -1.27 0.00 0.00 60.65 58.13 3kow h LYS 28 Cb 1.27 0.03 -0.14 0.00 -0.41 0.00 0.00 32.23 32.97 3kow h LYS 28 CO 0.56 1.05 -0.57 -0.98 -2.27 0.00 0.00 179.45 177.23 3kow s ARG 29 N -4.24 1.42 0.17 1.90 1.70 -1.26 -5.18 118.95 113.46 3kow s ARG 29 Ca -0.09 -1.78 0.04 0.00 -0.47 0.00 0.00 55.73 53.42 3kow s ARG 29 Cb 0.11 0.28 -0.05 0.00 -0.57 0.00 0.00 34.95 34.73 3kow s ARG 29 CO 0.86 -0.49 -0.06 1.03 -1.08 0.00 0.00 175.30 175.56 3kow s ARG 30 N -3.88 1.14 0.01 3.89 1.81 -1.26 -4.72 118.95 115.93 3kow s ARG 30 Ca 0.40 -1.52 0.00 0.00 -1.72 0.00 0.00 55.73 52.89 3kow s ARG 30 Cb 0.05 -0.57 0.00 0.00 -0.45 0.00 0.00 34.95 33.98 3kow s ARG 30 CO 0.18 0.00 0.00 0.41 -0.68 0.00 0.00 175.30 175.21 3kow n GLY 31 N -0.26 -2.16 3.74 -3.53 0.00 -1.18 -4.93 105.19 96.88 3kow n GLY 31 Ca -0.08 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 3kow n GLY 31 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3kow s TRP 32 N -2.32 3.87 -0.14 1.61 -0.11 -1.15 -4.70 118.94 116.00 3kow s TRP 32 Ca 0.00 1.77 0.02 0.00 1.22 0.00 0.00 56.10 59.11 3kow s TRP 32 Cb 0.00 -2.96 0.01 0.00 -1.50 0.00 0.00 33.47 29.03 3kow s TRP 32 CO 0.00 0.34 -0.20 0.95 -4.62 0.00 0.00 176.95 173.42 3kow s THR 33 N -0.56 1.92 0.94 5.86 -4.23 -1.26 -5.02 115.64 113.29 3kow s THR 33 Ca 0.42 -0.88 -0.16 0.00 -1.18 0.00 0.00 61.69 59.89 3kow s THR 33 Cb -0.24 -1.71 0.23 0.00 1.34 0.00 0.00 72.50 72.12 3kow s THR 33 CO 0.29 0.52 0.95 0.79 -0.54 0.00 0.00 174.62 176.63 3kow n TRP 34 N 4.22 -3.81 -3.73 3.99 7.02 -1.26 -4.88 117.44 118.99 3kow n TRP 34 Ca -0.20 -0.85 -0.24 0.00 -1.02 0.00 0.00 57.50 55.19 3kow n TRP 34 Cb 0.51 -0.90 -0.02 0.00 -2.42 0.00 0.00 31.31 28.48 3kow n TRP 34 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3kow s ARG 35 N -5.13 3.47 -0.40 -0.99 0.52 -1.26 -5.04 118.95 110.13 3kow s ARG 35 Ca 0.59 -0.51 -0.11 0.00 -0.52 0.00 0.00 55.73 55.17 3kow s ARG 35 Cb -0.04 -2.82 0.04 0.00 0.52 0.00 0.00 34.95 32.65 3kow s ARG 35 CO 0.44 0.36 0.25 -0.65 0.02 0.00 0.00 175.30 175.71 3kow s GLN 36 N -3.82 2.79 -0.25 3.54 -1.52 -1.26 -5.03 119.66 114.11 3kow s GLN 36 Ca 0.37 -1.20 -0.41 0.00 -1.95 0.00 0.00 55.36 52.16 3kow s GLN 36 Cb -0.10 -3.81 -0.17 0.00 -0.22 0.00 0.00 33.01 28.71 3kow s GLN 36 CO 0.31 -0.81 1.61 -2.30 -0.25 0.00 0.00 175.29 173.85 3kow n PRO 37 N 5.01 0.83 -3.51 2.91 -0.02 -1.26 -1.62 135.00 137.34 3kow n PRO 37 Ca -0.11 0.30 -0.39 0.00 -2.02 0.00 0.00 63.50 61.28 3kow n PRO 37 Cb 0.45 -1.93 -0.04 0.00 -0.02 0.00 0.00 33.50 31.96 3kow n PRO 37 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kow n ALA 38 N 4.40 4.01 -1.85 3.55 0.00 -0.35 -4.78 120.51 125.50 3kow n ALA 38 Ca 0.26 -4.64 -0.42 0.00 0.00 0.00 0.00 53.44 48.64 3kow n ALA 38 Cb 0.10 -1.94 -0.03 0.00 0.00 0.00 0.00 19.45 17.57 3kow n ALA 38 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3kow s GLU 39 N -1.46 4.18 -0.57 0.00 2.02 -1.26 -3.41 118.70 118.19 3kow s GLU 39 Ca 0.29 2.46 -0.21 0.00 0.02 0.00 0.00 54.97 57.53 3kow s GLU 39 Cb -0.07 -3.14 0.03 0.00 0.10 0.00 0.00 34.13 31.05 3kow s GLU 39 CO -0.10 -0.67 0.64 0.09 0.02 0.00 0.00 175.26 175.24 3kow n ASN 40 N 4.05 -6.03 -4.81 -0.19 3.02 -1.19 -4.99 115.26 105.12 3kow n ASN 40 Ca 0.15 -0.22 -0.37 0.00 -0.03 0.00 0.00 54.58 54.11 3kow n ASN 40 Cb 0.37 -2.73 -0.06 0.00 -0.61 0.00 0.00 39.78 36.75 3kow n ASN 40 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3kow s LEU 41 N -3.25 4.38 -0.27 3.41 2.96 -1.14 -4.87 118.68 119.89 3kow s LEU 41 Ca 0.23 0.69 -0.10 0.00 -0.22 0.00 0.00 54.13 54.72 3kow s LEU 41 Cb -0.03 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.23 3kow s LEU 41 CO 0.85 0.27 0.16 -1.58 -1.32 0.00 0.00 176.35 174.73 3kow s GLN 42 N -0.54 3.86 -0.11 1.98 0.74 -1.26 -0.31 119.66 124.02 3kow s GLN 42 Ca 0.19 -0.37 0.01 0.00 0.05 0.00 0.00 55.36 55.25 3kow s GLN 42 Cb -0.14 -3.57 0.02 0.00 1.10 0.00 0.00 33.01 30.41 3kow s GLN 42 CO 0.08 -0.19 -0.14 -1.64 -0.55 0.00 0.00 175.29 172.85 3kow s MET 43 N 1.72 2.14 5.62 1.67 -1.94 -0.11 -4.99 119.30 123.41 3kow s MET 43 Ca 0.07 -0.53 0.00 0.00 -1.71 0.00 0.00 55.69 53.52 3kow s MET 43 Cb -0.16 -1.85 0.00 0.00 2.01 0.00 0.00 34.83 34.83 3kow s MET 43 CO 0.09 -0.08 0.00 0.41 -0.01 0.00 0.00 175.02 175.43 3kow n GLY 44 N 4.27 3.13 0.06 -0.03 0.00 -1.26 -1.64 105.19 109.72 3kow n GLY 44 Ca -0.19 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 45.81 3kow n GLY 44 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kow n PRO 45 N 14.00 0.37 -4.51 1.61 -0.05 -1.26 -4.91 135.00 140.25 3kow n PRO 45 Ca 0.00 -0.13 -0.31 0.00 -0.05 0.00 0.00 63.50 63.01 3kow n PRO 45 Cb 0.00 -1.50 -0.11 0.00 -0.05 0.00 0.00 33.50 31.84 3kow n PRO 45 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 175.50 175.39 3kow s PHE 46 N -2.71 2.75 -0.04 0.54 0.08 -0.65 -5.12 117.98 112.82 3kow s PHE 46 Ca 0.21 -0.13 -0.02 0.00 0.12 0.00 0.00 56.93 57.11 3kow s PHE 46 Cb 0.19 -1.54 -0.04 0.00 -0.57 0.00 0.00 43.02 41.07 3kow s PHE 46 CO 0.54 0.33 0.09 0.42 -0.10 0.00 0.00 175.22 176.50 3kow s ILE 47 N -0.99 4.90 -0.17 0.64 1.01 -1.26 -0.94 121.20 124.39 3kow s ILE 47 Ca 0.17 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.60 3kow s ILE 47 Cb -0.11 -3.20 0.01 0.00 0.01 0.00 0.00 42.46 39.18 3kow s ILE 47 CO 0.07 0.44 -0.18 -0.31 0.00 0.00 0.00 174.94 174.97 3kow s TYR 48 N -1.12 2.77 0.15 3.97 2.02 0.58 -4.95 117.35 120.77 3kow s TYR 48 Ca 0.20 -1.42 0.08 0.00 -0.37 0.00 0.00 57.07 55.56 3kow s TYR 48 Cb -0.12 -1.91 -0.07 0.00 -0.40 0.00 0.00 41.96 39.46 3kow s TYR 48 CO 0.11 -0.69 1.36 0.87 -1.57 0.00 0.00 175.55 175.63 3kow h LYS 49 N 7.74 0.00 -0.59 -0.62 1.79 -1.92 -3.01 116.57 119.95 3kow h LYS 49 Ca -0.41 0.00 -0.43 0.00 -2.18 0.00 0.00 60.65 57.63 3kow h LYS 49 Cb 1.16 0.00 -0.36 0.00 -1.58 0.00 0.00 32.23 31.45 3kow h LYS 49 CO 0.61 0.90 -0.80 -0.25 -1.08 0.00 0.00 179.45 178.83 3kow n ASP 50 N -3.46 4.05 -4.78 0.86 8.00 -1.26 -4.58 116.55 115.38 3kow n ASP 50 Ca -0.00 -3.59 -0.22 0.00 0.71 0.00 0.00 54.79 51.69 3kow n ASP 50 Cb 0.86 -0.38 -0.05 0.00 -0.02 0.00 0.00 41.12 41.53 3kow n ASP 50 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kow s ALA 51 N -3.49 3.60 0.54 2.24 0.00 -1.26 -3.57 121.76 119.82 3kow s ALA 51 Ca 0.46 -1.71 0.04 0.00 0.00 0.00 0.00 51.96 50.76 3kow s ALA 51 Cb 0.40 -0.95 0.03 0.00 0.00 0.00 0.00 23.12 22.60 3kow s ALA 51 CO 0.01 0.07 0.30 -1.54 0.00 0.00 0.00 175.76 174.60 3kow s SER 52 N -3.88 4.50 0.08 0.00 1.04 0.16 -1.21 113.70 114.39 3kow s SER 52 Ca 0.38 -1.37 -0.35 0.00 0.48 0.00 0.00 55.95 55.09 3kow s SER 52 Cb -0.05 0.49 -0.14 0.00 0.10 0.00 0.00 66.02 66.43 3kow s SER 52 CO 0.24 -1.06 1.60 0.41 0.98 0.00 0.00 173.24 175.41 3kow n THR 53 N -1.65 0.13 -0.90 2.02 -1.04 -0.64 -4.40 114.28 107.80 3kow n THR 53 Ca -0.07 -0.02 -0.33 0.00 -2.04 0.00 0.00 64.05 61.59 3kow n THR 53 Cb 0.65 -1.46 0.13 0.00 -1.82 0.00 0.00 70.33 67.83 3kow n THR 53 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3kow n PRO 54 N 3.99 -0.14 -3.08 -2.82 -0.02 -1.26 -4.78 135.00 126.88 3kow n PRO 54 Ca 0.19 0.02 -0.27 0.00 -2.02 0.00 0.00 63.50 61.42 3kow n PRO 54 Cb 0.26 -2.18 -0.01 0.00 -0.02 0.00 0.00 33.50 31.55 3kow n PRO 54 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kow s LEU 55 N -4.00 3.88 0.14 2.45 1.43 -1.26 -5.01 118.68 116.30 3kow s LEU 55 Ca 0.66 0.72 0.12 0.00 -1.03 0.00 0.00 54.13 54.59 3kow s LEU 55 Cb -0.26 -3.60 -0.12 0.00 0.03 0.00 0.00 46.19 42.24 3kow s LEU 55 CO 0.59 -0.37 1.17 -0.33 0.23 0.00 0.00 176.35 177.63 3kow h GLU 56 N 0.83 0.00 -3.78 1.70 5.08 -1.68 -3.45 114.58 113.28 3kow h GLU 56 Ca -0.48 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 57.55 3kow h GLU 56 Cb 1.21 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.13 3kow h GLU 56 CO 0.63 0.67 -0.74 -0.80 -1.00 0.00 0.00 179.01 177.76 3kow s ASN 57 N -6.40 0.36 0.15 1.42 0.01 -1.23 -5.04 114.94 104.21 3kow s ASN 57 Ca 0.00 -0.03 -0.25 0.00 -0.71 0.00 0.00 52.86 51.88 3kow s ASN 57 Cb 0.09 -0.17 0.06 0.00 0.41 0.00 0.00 41.25 41.64 3kow s ASN 57 CO 0.80 -0.07 0.84 -0.94 -1.51 0.00 0.00 177.10 176.22 3kow s SER 58 N 0.75 -0.29 -0.27 -1.22 1.04 -1.26 -4.72 113.70 107.73 3kow s SER 58 Ca -0.07 -0.30 -0.08 0.00 0.48 0.00 0.00 55.95 55.98 3kow s SER 58 Cb -0.11 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 3kow s SER 58 CO -0.01 -0.94 0.09 -0.69 0.98 0.00 0.00 173.24 172.66 3kow s VAL 59 N -3.45 4.32 0.42 5.02 1.01 -0.48 -5.01 120.40 122.23 3kow s VAL 59 Ca 0.09 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 61.67 3kow s VAL 59 Cb -0.02 -3.10 -0.05 0.00 0.00 0.00 0.00 36.38 33.20 3kow s VAL 59 CO -0.01 0.23 0.76 0.00 0.00 0.00 0.00 175.10 176.08 3kow s ALA 60 N 1.60 3.38 0.86 5.51 0.00 -1.26 -4.67 121.76 127.18 3kow s ALA 60 Ca 0.05 -0.32 -0.14 0.00 0.00 0.00 0.00 51.96 51.56 3kow s ALA 60 Cb -0.16 -2.64 0.01 0.00 0.00 0.00 0.00 23.12 20.33 3kow s ALA 60 CO 0.04 -0.09 0.51 1.28 0.00 0.00 0.00 175.76 177.51 3kow n LEU 61 N -1.55 0.53 0.12 0.00 4.77 -1.26 -4.88 117.00 114.74 3kow n LEU 61 Ca 0.02 0.44 -0.14 0.00 -0.03 0.00 0.00 56.01 56.30 3kow n LEU 61 Cb 0.54 -1.23 -0.08 0.00 -2.33 0.00 0.00 43.42 40.32 3kow n LEU 61 CO 0.49 -3.29 0.78 -0.65 -1.33 0.00 0.00 177.39 173.39 3kow h PRO 62 N -1.08 -0.24 0.00 3.23 0.11 -1.99 -2.25 132.00 129.79 3kow h PRO 62 Ca -0.44 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3kow h PRO 62 Cb 1.31 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.47 3kow h PRO 62 CO 0.38 -0.11 0.36 0.43 -0.21 0.00 0.00 178.00 178.85 3kow n SER 63 N -5.17 0.02 0.27 -2.05 7.64 -1.26 -2.61 113.62 110.45 3kow n SER 63 Ca -0.09 0.18 0.16 0.00 1.01 0.00 0.00 58.87 60.13 3kow n SER 63 Cb 0.14 -0.17 0.61 0.00 -1.01 0.00 0.00 64.21 63.79 3kow n SER 63 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3kow h ALA 64 N 0.62 1.00 0.03 -0.43 0.00 -1.73 -3.26 119.26 115.50 3kow h ALA 64 Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3kow h ALA 64 Cb 0.72 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3kow h ALA 64 CO 0.00 0.02 -0.16 1.57 0.00 0.00 0.00 179.25 180.68 3kow h LYS 65 N 0.00 -0.27 -0.94 0.00 2.10 -1.74 0.65 116.57 116.37 3kow h LYS 65 Ca -0.00 0.02 0.25 0.00 -2.00 0.00 0.00 60.65 58.92 3kow h LYS 65 Cb 0.58 0.06 -0.05 0.00 -0.90 0.00 0.00 32.23 31.92 3kow h LYS 65 CO 0.00 -0.18 0.65 1.88 -2.00 0.00 0.00 179.45 179.80 3kow h TYR 66 N -0.28 0.22 -0.91 0.07 0.05 -1.85 0.10 116.97 114.37 3kow h TYR 66 Ca 0.04 0.01 -0.62 0.00 0.05 0.00 0.00 58.73 58.21 3kow h TYR 66 Cb 0.33 -0.07 -0.32 0.00 1.01 0.00 0.00 36.73 37.68 3kow h TYR 66 CO -0.20 0.04 0.41 1.19 -1.05 0.00 0.00 178.16 178.56 3kow n PHE 67 N -4.37 3.03 -2.99 4.88 3.72 -0.39 -4.92 117.46 116.42 3kow n PHE 67 Ca 0.20 -2.73 -0.21 0.00 -0.05 0.00 0.00 57.45 54.67 3kow n PHE 67 Cb 0.91 -1.12 0.01 0.00 -0.94 0.00 0.00 39.48 38.34 3kow n PHE 67 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3kow n GLY 68 N -0.89 -0.51 2.99 1.37 0.00 0.36 -3.79 105.19 104.73 3kow n GLY 68 Ca 0.57 0.09 -0.17 0.00 0.00 0.00 0.00 46.02 46.51 3kow n GLY 68 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kow n ASP 69 N -2.29 -4.90 -4.86 1.61 8.00 0.22 -4.97 116.55 109.36 3kow n ASP 69 Ca -0.10 -0.39 -0.32 0.00 0.71 0.00 0.00 54.79 54.69 3kow n ASP 69 Cb 0.60 -3.78 -0.05 0.00 -0.02 0.00 0.00 41.12 37.87 3kow n ASP 69 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3kow s ILE 70 N -3.23 4.75 -0.50 0.53 -4.36 -1.25 -4.92 121.20 112.22 3kow s ILE 70 Ca 0.39 0.78 0.05 0.00 -0.26 0.00 0.00 60.65 61.60 3kow s ILE 70 Cb -0.17 -3.65 0.18 0.00 1.25 0.00 0.00 42.46 40.07 3kow s ILE 70 CO 0.53 -0.27 0.41 -0.67 0.24 0.00 0.00 174.94 175.18 3kow n ASP 71 N -0.61 0.66 -4.71 4.36 2.03 -1.26 -4.65 116.55 112.37 3kow n ASP 71 Ca 0.03 -2.66 -0.42 0.00 0.52 0.00 0.00 54.79 52.26 3kow n ASP 71 Cb 0.53 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 3kow n ASP 71 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3kow n PRO 72 N 2.44 2.11 -4.62 -0.67 -0.02 -1.26 -4.66 135.00 128.31 3kow n PRO 72 Ca 0.27 0.74 -0.33 0.00 -2.02 0.00 0.00 63.50 62.16 3kow n PRO 72 Cb 0.45 -2.38 -0.15 0.00 -0.02 0.00 0.00 33.50 31.39 3kow n PRO 72 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3kow s GLN 73 N -2.02 3.24 0.60 -0.52 -1.52 -1.26 -5.00 119.66 113.17 3kow s GLN 73 Ca 0.57 -0.75 -0.10 0.00 -1.95 0.00 0.00 55.36 53.14 3kow s GLN 73 Cb -0.54 -2.61 0.15 0.00 -0.22 0.00 0.00 33.01 29.80 3kow s GLN 73 CO 0.61 0.07 0.57 -0.35 -0.25 0.00 0.00 175.29 175.93 3kow n PRO 74 N 3.92 -1.87 -0.05 2.91 -0.04 -1.26 0.39 135.00 139.00 3kow n PRO 74 Ca -0.19 -0.91 -0.18 0.00 -0.04 0.00 0.00 63.50 62.19 3kow n PRO 74 Cb 0.52 -0.80 -0.13 0.00 -0.04 0.00 0.00 33.50 33.05 3kow n PRO 74 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3kow h LEU 75 N 0.00 0.13 -9.87 1.53 3.38 -1.87 -3.31 115.31 105.30 3kow h LEU 75 Ca -0.21 -0.86 -0.55 0.00 0.09 0.00 0.00 57.88 56.35 3kow h LEU 75 Cb 0.63 -0.04 0.18 0.00 0.09 0.00 0.00 40.66 41.52 3kow h LEU 75 CO 0.14 1.27 -0.09 -2.65 0.09 0.00 0.00 178.44 177.20 3kow n PRO 76 N -4.38 0.32 -2.40 1.13 -0.02 -1.26 -4.58 135.00 123.80 3kow n PRO 76 Ca -0.18 0.16 -0.42 0.00 -2.02 0.00 0.00 63.50 61.04 3kow n PRO 76 Cb 0.65 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 32.01 3kow n PRO 76 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kow s VAL 77 N -1.94 4.12 -0.30 -1.45 1.01 -0.83 -4.87 120.40 116.14 3kow s VAL 77 Ca 0.69 1.46 -0.21 0.00 0.00 0.00 0.00 61.98 63.92 3kow s VAL 77 Cb -0.33 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 3kow s VAL 77 CO 0.54 0.01 0.69 -0.63 0.00 0.00 0.00 175.10 175.71 3kow s ILE 78 N 2.18 4.89 0.31 2.22 -1.09 -1.26 0.66 121.20 129.11 3kow s ILE 78 Ca 0.58 1.01 -0.22 0.00 -2.23 0.00 0.00 60.65 59.79 3kow s ILE 78 Cb -0.26 -4.04 -0.09 0.00 -1.58 0.00 0.00 42.46 36.48 3kow s ILE 78 CO 0.23 -0.16 0.85 -0.89 -1.23 0.00 0.00 174.94 173.75 3kow s THR 79 N 2.72 4.41 -0.02 2.92 2.01 -0.41 -2.73 115.64 124.53 3kow s THR 79 Ca 0.28 1.50 0.04 0.00 0.31 0.00 0.00 61.69 63.81 3kow s THR 79 Cb -0.15 -3.85 -0.00 0.00 0.01 0.00 0.00 72.50 68.51 3kow s THR 79 CO 0.11 0.06 -0.12 0.28 -0.69 0.00 0.00 174.62 174.26 3kow s THR 80 N -1.71 1.01 -0.36 -0.82 -1.32 0.03 -3.14 115.64 109.32 3kow s THR 80 Ca 0.50 -0.52 -0.13 0.00 -1.21 0.00 0.00 61.69 60.34 3kow s THR 80 Cb -0.16 -0.86 0.00 0.00 -1.51 0.00 0.00 72.50 69.98 3kow s THR 80 CO 0.20 0.29 0.24 -1.61 -2.21 0.00 0.00 174.62 171.54 3kow s GLU 81 N -0.09 3.19 -0.16 7.08 2.02 -1.26 -0.97 118.70 128.52 3kow s GLU 81 Ca 0.01 -0.85 0.01 0.00 0.02 0.00 0.00 54.97 54.16 3kow s GLU 81 Cb -0.07 -3.81 0.02 0.00 0.10 0.00 0.00 34.13 30.37 3kow s GLU 81 CO 0.00 -0.58 -0.19 0.42 0.02 0.00 0.00 175.26 174.94 3kow s ILE 82 N 1.66 1.89 0.00 -1.63 1.01 -0.66 -4.97 121.20 118.51 3kow s ILE 82 Ca 0.05 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.85 3kow s ILE 82 Cb -0.18 -1.71 0.00 0.00 0.01 0.00 0.00 42.46 40.58 3kow s ILE 82 CO 0.09 0.51 0.00 0.00 0.00 0.00 0.00 174.94 175.54 3kow n ALA 83 N 4.49 0.00 0.90 9.38 0.00 -1.26 -4.23 120.51 129.78 3kow n ALA 83 Ca -0.20 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.34 3kow n ALA 83 Cb 0.50 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.88 3kow n ALA 83 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kow n SER 84 N 0.00 1.17 0.00 0.00 3.41 -1.26 -4.09 113.62 112.85 3kow n SER 84 Ca 0.00 -1.09 0.00 0.00 -0.26 0.00 0.00 58.87 57.52 3kow n SER 84 Cb 0.00 0.86 0.00 0.00 -0.26 0.00 0.00 64.21 64.81 3kow n SER 84 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kow n GLY 85 N 1.41 1.10 2.97 5.00 0.00 -1.14 -4.56 105.19 109.97 3kow n GLY 85 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 3kow n GLY 85 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kow s ARG 86 N -0.69 1.89 0.36 1.61 0.52 -1.26 -1.72 118.95 119.67 3kow s ARG 86 Ca 0.00 -2.48 0.08 0.00 -0.52 0.00 0.00 55.73 52.81 3kow s ARG 86 Cb 0.00 -3.31 0.79 0.00 0.52 0.00 0.00 34.95 32.95 3kow s ARG 86 CO 0.00 -1.08 1.91 0.27 0.02 0.00 0.00 175.30 176.42 3kow h PHE 87 N 6.73 0.78 -0.00 -0.53 -5.15 -1.94 -0.62 116.94 116.21 3kow h PHE 87 Ca -0.07 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.72 3kow h PHE 87 Cb 0.92 -0.25 -0.00 0.00 0.22 0.00 0.00 35.95 36.84 3kow h PHE 87 CO 0.51 0.35 0.04 1.05 -2.00 0.00 0.00 178.31 178.26 3kow h GLU 88 N 0.71 0.00 0.00 6.09 9.09 -1.99 0.26 114.58 128.74 3kow h GLU 88 Ca 0.39 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.68 3kow h GLU 88 Cb 0.53 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.61 3kow h GLU 88 CO -0.16 0.00 -1.61 -0.25 0.05 0.00 0.00 179.01 177.05 3kow n ASP 89 N -3.10 0.53 0.15 3.06 8.00 -0.26 -4.18 116.55 120.74 3kow n ASP 89 Ca -0.03 0.22 0.07 0.00 0.71 0.00 0.00 54.79 55.76 3kow n ASP 89 Cb 0.11 0.79 0.05 0.00 -0.02 0.00 0.00 41.12 42.05 3kow n ASP 89 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3kow h ASP 90 N 0.00 0.00 -0.60 -2.24 3.32 -0.36 -3.18 116.42 113.36 3kow h ASP 90 Ca -0.14 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.82 3kow h ASP 90 Cb 1.41 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.94 3kow h ASP 90 CO 0.02 0.25 0.02 0.40 -1.72 0.00 0.00 179.24 178.21 3kow h ILE 91 N 0.00 1.26 0.00 0.35 2.04 -1.13 -1.69 117.51 118.35 3kow h ILE 91 Ca -0.02 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 3kow h ILE 91 Cb 1.21 0.80 -0.00 0.00 -0.74 0.00 0.00 36.82 38.09 3kow h ILE 91 CO 0.03 0.40 -0.04 0.03 0.00 0.00 0.00 178.15 178.57 3kow h ARG 92 N 0.93 0.00 0.10 2.37 3.08 -1.74 -2.36 114.38 116.76 3kow h ARG 92 Ca 0.17 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.95 3kow h ARG 92 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 3kow h ARG 92 CO 0.03 0.04 -1.31 -0.09 -1.07 0.00 0.00 179.97 177.56 3kow h ARG 93 N 0.00 0.21 -0.44 0.04 2.43 -1.51 -3.21 114.38 111.90 3kow h ARG 93 Ca -0.00 -0.36 -0.01 0.00 -0.81 0.00 0.00 59.98 58.80 3kow h ARG 93 Cb 0.09 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 3kow h ARG 93 CO 0.01 1.12 0.21 0.52 -1.51 0.00 0.00 179.97 180.31 3kow h MET 94 N 0.06 0.61 0.45 0.20 2.86 -0.77 -0.60 114.93 117.73 3kow h MET 94 Ca -0.15 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.40 3kow h MET 94 Cb 1.96 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 33.50 3kow h MET 94 CO 0.17 0.48 -0.22 -0.09 1.06 0.00 0.00 176.91 178.31 3kow h ARG 95 N 0.61 -0.59 -0.77 1.72 2.43 -1.54 -0.64 114.38 115.61 3kow h ARG 95 Ca 0.15 0.04 0.15 0.00 -0.81 0.00 0.00 59.98 59.52 3kow h ARG 95 Cb 0.07 0.13 -0.10 0.00 -0.42 0.00 0.00 29.97 29.65 3kow h ARG 95 CO -0.02 -0.33 0.29 0.52 -1.51 0.00 0.00 179.97 178.92 3kow h MET 96 N -0.73 0.40 -0.17 0.20 2.86 -1.51 -1.97 114.93 114.02 3kow h MET 96 Ca -0.06 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.45 3kow h MET 96 Cb 0.53 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 3kow h MET 96 CO 0.10 0.27 -0.33 0.00 1.06 0.00 0.00 176.91 178.01 3kow h ALA 97 N 1.58 1.13 -0.16 6.32 0.00 -0.82 -2.91 119.26 124.39 3kow h ALA 97 Ca 0.43 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3kow h ALA 97 Cb 0.69 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3kow h ALA 97 CO -0.43 0.56 0.09 0.00 0.00 0.00 0.00 179.25 179.46 3kow h ALA 98 N 1.36 0.21 -0.28 0.00 0.00 -0.35 -0.77 119.26 119.43 3kow h ALA 98 Ca 0.04 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3kow h ALA 98 Cb 0.73 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3kow h ALA 98 CO 0.06 -0.25 0.18 -1.49 0.00 0.00 0.00 179.25 177.75 3kow h TRP 99 N 0.16 0.30 -0.32 0.00 4.06 -1.44 -1.08 115.95 117.63 3kow h TRP 99 Ca 0.06 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.01 3kow h TRP 99 Cb 0.08 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 28.14 3kow h TRP 99 CO -0.04 0.19 0.00 0.72 -3.56 0.00 0.00 178.44 175.75 3kow n HIS 100 N -4.50 0.95 0.00 0.49 8.25 -1.07 -1.39 115.22 117.96 3kow n HIS 100 Ca 0.02 -0.35 0.00 0.00 -0.26 0.00 0.00 57.72 57.13 3kow n HIS 100 Cb 0.11 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 30.98 3kow n HIS 100 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kow n GLY 101 N 0.50 0.32 3.71 -1.41 0.00 -0.41 -4.54 105.19 103.37 3kow n GLY 101 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3kow n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kow s ALA 102 N -2.10 3.65 -0.09 4.61 0.00 -0.32 -4.77 121.76 122.75 3kow s ALA 102 Ca 0.00 1.16 0.17 0.00 0.00 0.00 0.00 51.96 53.28 3kow s ALA 102 Cb 0.00 -3.60 0.36 0.00 0.00 0.00 0.00 23.12 19.88 3kow s ALA 102 CO 0.00 -0.79 1.16 -0.40 0.00 0.00 0.00 175.76 175.73 3kow n ASP 103 N 4.49 1.27 -3.61 0.00 5.75 -1.16 -4.08 116.55 119.20 3kow n ASP 103 Ca 0.13 -2.79 -0.23 0.00 -0.01 0.00 0.00 54.79 51.89 3kow n ASP 103 Cb 0.41 -0.38 -0.17 0.00 -1.03 0.00 0.00 41.12 39.95 3kow n ASP 103 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3kow s HIS 104 N -1.45 0.08 -0.29 2.11 2.46 -1.11 -1.44 115.29 115.65 3kow s HIS 104 Ca 0.31 -0.05 -0.10 0.00 0.47 0.00 0.00 55.06 55.69 3kow s HIS 104 Cb 0.32 -0.57 -0.03 0.00 -0.13 0.00 0.00 32.58 32.17 3kow s HIS 104 CO -0.09 -0.43 0.16 0.42 -2.47 0.00 0.00 174.74 172.33 3kow s ILE 105 N 2.18 4.86 -0.25 0.89 -1.09 0.01 -0.79 121.20 127.01 3kow s ILE 105 Ca 0.03 -0.14 -0.10 0.00 -2.23 0.00 0.00 60.65 58.21 3kow s ILE 105 Cb -0.15 -3.38 -0.05 0.00 -1.58 0.00 0.00 42.46 37.30 3kow s ILE 105 CO -0.08 0.18 0.15 -0.32 -1.23 0.00 0.00 174.94 173.64 3kow s MET 106 N 1.68 3.97 -0.46 2.79 1.75 -0.14 -1.82 119.30 127.07 3kow s MET 106 Ca 0.06 -0.32 -0.09 0.00 -1.25 0.00 0.00 55.69 54.10 3kow s MET 106 Cb -0.16 -3.52 0.11 0.00 2.84 0.00 0.00 34.83 34.10 3kow s MET 106 CO 0.08 -0.03 0.33 0.08 -0.65 0.00 0.00 175.02 174.83 3kow s VAL 107 N 1.29 4.15 0.35 10.11 1.01 0.61 -1.65 120.40 136.28 3kow s VAL 107 Ca 0.07 -1.76 -0.28 0.00 0.00 0.00 0.00 61.98 60.00 3kow s VAL 107 Cb -0.14 -3.72 -0.11 0.00 0.00 0.00 0.00 36.38 32.41 3kow s VAL 107 CO 0.06 -0.74 1.43 -0.63 0.00 0.00 0.00 175.10 175.22 3kow s ILE 108 N 1.35 2.28 0.36 2.22 1.01 -1.26 -4.56 121.20 122.61 3kow s ILE 108 Ca 0.06 0.28 -0.13 0.00 0.00 0.00 0.00 60.65 60.86 3kow s ILE 108 Cb -0.26 -3.18 -0.08 0.00 0.01 0.00 0.00 42.46 38.96 3kow s ILE 108 CO -0.01 0.07 0.75 -0.13 0.00 0.00 0.00 174.94 175.62 3kow s ARG 109 N -1.88 3.90 0.61 2.79 0.52 -1.26 -1.02 118.95 122.61 3kow s ARG 109 Ca 0.52 0.58 -0.18 0.00 -0.52 0.00 0.00 55.73 56.13 3kow s ARG 109 Cb -0.44 -2.41 -0.08 0.00 0.52 0.00 0.00 34.95 32.54 3kow s ARG 109 CO 0.59 0.06 0.51 -2.37 0.02 0.00 0.00 175.30 174.11 3kow n THR 110 N -0.81 2.12 -1.66 0.02 5.66 -0.93 -4.21 114.28 114.48 3kow n THR 110 Ca 0.03 -0.48 -0.57 0.00 -3.05 0.00 0.00 64.05 59.99 3kow n THR 110 Cb 0.54 -0.69 -0.07 0.00 -1.55 0.00 0.00 70.33 68.56 3kow n THR 110 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kow n ALA 111 N -1.87 -0.83 -2.12 1.79 0.00 0.11 -2.80 120.51 114.79 3kow n ALA 111 Ca 0.11 0.46 -0.11 0.00 0.00 0.00 0.00 53.44 53.90 3kow n ALA 111 Cb 0.48 -2.11 -0.01 0.00 0.00 0.00 0.00 19.45 17.81 3kow n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kow n GLY 112 N 3.39 0.04 0.16 0.00 0.00 -1.26 -4.90 105.19 102.62 3kow n GLY 112 Ca 0.24 -0.44 0.13 0.00 0.00 0.00 0.00 46.02 45.94 3kow n GLY 112 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3kow h GLN 113 N 0.00 0.00 0.00 1.61 4.15 -1.87 -1.77 115.11 117.23 3kow h GLN 113 Ca -0.25 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.17 3kow h GLN 113 Cb 1.15 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.84 3kow h GLN 113 CO 0.31 0.00 0.00 0.77 -1.93 0.00 0.00 178.83 177.98 3kow h SER 114 N 0.00 0.00 -0.00 -0.69 0.02 -1.88 -2.44 113.55 108.55 3kow h SER 114 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kow h SER 114 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3kow h SER 114 CO 0.00 0.00 -0.81 1.41 -1.14 0.00 0.00 176.83 176.29 3kow n HIS 115 N -2.36 0.00 -2.27 3.45 8.25 -0.67 -0.83 115.22 120.79 3kow n HIS 115 Ca -0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.01 3kow n HIS 115 Cb 0.04 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.13 3kow n HIS 115 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3kow s TYR 116 N -2.72 2.29 -1.55 4.41 1.51 -0.92 -4.88 117.35 115.49 3kow s TYR 116 Ca 0.09 0.67 -0.12 0.00 -1.01 0.00 0.00 57.07 56.70 3kow s TYR 116 Cb 0.15 -4.22 -0.03 0.00 -0.11 0.00 0.00 41.96 37.75 3kow s TYR 116 CO 0.74 -2.21 2.63 -3.47 -1.11 0.00 0.00 175.55 172.13 3kow n ASP 117 N 8.97 6.53 0.00 2.29 2.03 -1.26 -4.04 116.55 131.07 3kow n ASP 117 Ca 0.18 -2.69 0.00 0.00 0.52 0.00 0.00 54.79 52.80 3kow n ASP 117 Cb 0.47 -1.60 0.00 0.00 -0.72 0.00 0.00 41.12 39.27 3kow n ASP 117 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kow n GLY 118 N 3.82 3.09 3.67 0.27 0.00 -1.26 -4.99 105.19 109.79 3kow n GLY 118 Ca 0.67 -1.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.55 3kow n GLY 118 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kow s LEU 119 N 0.00 2.42 0.19 0.99 1.43 -1.26 -4.92 118.68 117.53 3kow s LEU 119 Ca 0.00 1.85 0.09 0.00 -1.03 0.00 0.00 54.13 55.04 3kow s LEU 119 Cb 0.00 -4.23 -0.04 0.00 0.03 0.00 0.00 46.19 41.95 3kow s LEU 119 CO 0.00 -2.98 -0.17 0.27 0.23 0.00 0.00 176.35 173.70 3kow s ILE 120 N -2.73 1.85 0.26 -0.59 -4.36 -1.26 -5.14 121.20 109.23 3kow s ILE 120 Ca 0.65 -2.08 0.11 0.00 -0.26 0.00 0.00 60.65 59.08 3kow s ILE 120 Cb -0.21 -1.96 -0.05 0.00 1.25 0.00 0.00 42.46 41.49 3kow s ILE 120 CO 0.58 -0.43 -0.18 -1.61 0.24 0.00 0.00 174.94 173.54 3kow s GLU 121 N -3.18 1.73 0.26 0.37 0.41 -1.26 -4.44 118.70 112.59 3kow s GLU 121 Ca 0.20 -1.66 0.00 0.00 -0.41 0.00 0.00 54.97 53.10 3kow s GLU 121 Cb -0.04 -1.84 0.00 0.00 -1.78 0.00 0.00 34.13 30.47 3kow s GLU 121 CO 0.08 0.35 0.00 0.41 -0.49 0.00 0.00 175.26 175.61 3kow n GLY 122 N -0.44 0.12 2.45 -1.39 0.00 -1.25 -4.65 105.19 100.04 3kow n GLY 122 Ca -0.07 -1.73 -0.13 0.00 0.00 0.00 0.00 46.02 44.08 3kow n GLY 122 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kow n THR 123 N 0.00 -0.04 -0.90 2.61 -2.24 -1.26 -4.39 114.28 108.07 3kow n THR 123 Ca 0.00 -3.13 -0.31 0.00 -2.27 0.00 0.00 64.05 58.35 3kow n THR 123 Cb 0.00 0.56 0.14 0.00 -2.10 0.00 0.00 70.33 68.93 3kow n THR 123 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3kow s PRO 124 N -1.25 1.43 -0.01 -0.78 0.04 -1.24 -3.46 135.00 129.72 3kow s PRO 124 Ca 0.31 1.40 -0.26 0.00 0.04 0.00 0.00 61.00 62.49 3kow s PRO 124 Cb 0.33 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 33.05 3kow s PRO 124 CO -0.06 -2.30 0.80 -1.14 0.04 0.00 0.00 177.00 174.34 3kow s GLN 125 N -4.74 4.49 0.84 4.56 0.74 -1.26 -4.59 119.66 119.70 3kow s GLN 125 Ca 0.65 1.08 -0.07 0.00 0.05 0.00 0.00 55.36 57.07 3kow s GLN 125 Cb -0.21 -3.42 0.18 0.00 1.10 0.00 0.00 33.01 30.65 3kow s GLN 125 CO 0.57 0.10 1.15 0.20 -0.55 0.00 0.00 175.29 176.77 3kow s GLY 126 N 0.59 1.78 -0.15 2.59 0.00 -0.70 -4.94 107.32 106.48 3kow s GLY 126 Ca 0.42 -1.65 -0.00 0.00 0.00 0.00 0.00 44.72 43.49 3kow s GLY 126 CO 0.22 -0.94 -0.09 -1.50 0.00 0.00 0.00 173.10 170.79 3kow s ILE 127 N -3.48 1.29 -1.09 0.90 2.07 -1.26 -4.73 121.20 114.90 3kow s ILE 127 Ca 0.71 -0.61 -0.22 0.00 -1.41 0.00 0.00 60.65 59.12 3kow s ILE 127 Cb -0.03 -1.34 0.02 0.00 0.13 0.00 0.00 42.46 41.23 3kow s ILE 127 CO 0.48 0.27 0.70 0.61 -1.91 0.00 0.00 174.94 175.09 3kow n GLY 128 N 4.84 -1.01 0.00 1.50 0.00 -1.26 -0.71 105.19 108.55 3kow n GLY 128 Ca -0.14 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.32 3kow n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kow n GLY 129 N -1.87 3.74 3.60 -0.02 0.00 -1.26 -3.90 105.19 105.48 3kow n GLY 129 Ca -0.14 -1.64 -0.35 0.00 0.00 0.00 0.00 46.02 43.89 3kow n GLY 129 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kow s VAL 130 N -2.02 4.68 0.04 1.61 1.01 -0.19 -2.87 120.40 122.66 3kow s VAL 130 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 3kow s VAL 130 Cb 0.00 -3.12 -0.06 0.00 0.00 0.00 0.00 36.38 33.20 3kow s VAL 130 CO 0.00 0.44 1.45 -2.84 0.00 0.00 0.00 175.10 174.15 3kow s PRO 131 N 0.57 4.27 -0.63 2.72 0.02 -1.26 -2.20 135.00 138.50 3kow s PRO 131 Ca 0.03 2.06 -0.22 0.00 0.02 0.00 0.00 61.00 62.89 3kow s PRO 131 Cb -0.13 -3.52 0.07 0.00 0.02 0.00 0.00 34.50 30.94 3kow s PRO 131 CO 0.01 -0.58 0.91 0.42 -0.33 0.00 0.00 177.00 177.43 3kow s ILE 132 N 2.21 4.42 0.34 2.83 1.09 -1.26 -4.86 121.20 125.97 3kow s ILE 132 Ca 0.66 -0.36 0.05 0.00 -1.10 0.00 0.00 60.65 59.90 3kow s ILE 132 Cb -0.34 -4.62 -0.07 0.00 -1.06 0.00 0.00 42.46 36.38 3kow s ILE 132 CO 0.28 -1.33 0.03 0.42 -0.10 0.00 0.00 174.94 174.24 3kow s THR 133 N 3.80 1.43 0.28 2.92 -4.23 -1.26 -4.70 115.64 113.87 3kow s THR 133 Ca 0.21 -2.02 -0.03 0.00 -1.18 0.00 0.00 61.69 58.68 3kow s THR 133 Cb -0.17 -2.79 0.23 0.00 1.34 0.00 0.00 72.50 71.12 3kow s THR 133 CO 0.11 -0.05 1.92 -0.09 -0.54 0.00 0.00 174.62 175.98 3kow h ARG 134 N 2.07 1.10 -0.19 3.99 2.43 -1.87 -1.75 114.38 120.16 3kow h ARG 134 Ca -0.41 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 58.63 3kow h ARG 134 Cb 1.24 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 3kow h ARG 134 CO 0.72 0.78 0.03 -0.22 -1.51 0.00 0.00 179.97 179.77 3kow h LYS 135 N 1.12 0.32 -0.30 0.20 3.64 -1.82 -2.18 116.57 117.54 3kow h LYS 135 Ca 0.29 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 3kow h LYS 135 Cb -0.04 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 3kow h LYS 135 CO -0.05 0.47 0.14 0.37 -2.27 0.00 0.00 179.45 178.11 3kow h GLN 136 N 0.11 0.41 0.07 1.90 -0.00 -1.66 -1.09 115.11 114.84 3kow h GLN 136 Ca 0.06 -0.04 -0.28 0.00 -0.00 0.00 0.00 58.65 58.39 3kow h GLN 136 Cb 0.30 -0.08 0.02 0.00 0.00 0.00 0.00 27.48 27.72 3kow h GLN 136 CO 0.00 0.32 -1.14 0.28 0.00 0.00 0.00 178.83 178.30 3kow h VAL 137 N 0.41 1.32 -0.05 2.39 2.07 -1.22 -2.49 116.25 118.68 3kow h VAL 137 Ca 0.11 -2.44 -0.01 0.00 0.82 0.00 0.00 66.70 65.18 3kow h VAL 137 Cb 0.05 2.57 -0.00 0.00 -1.52 0.00 0.00 31.29 32.39 3kow h VAL 137 CO -0.01 0.74 0.01 0.03 0.02 0.00 0.00 177.57 178.36 3kow h ARG 138 N 0.29 0.08 -0.54 1.57 3.08 -1.04 0.18 114.38 118.00 3kow h ARG 138 Ca -0.15 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 59.96 3kow h ARG 138 Cb 1.80 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.81 3kow h ARG 138 CO 0.21 0.29 0.36 0.00 -1.07 0.00 0.00 179.97 179.76 3kow h ALA 139 N 0.78 1.97 0.14 0.04 0.00 -1.26 0.23 119.26 121.17 3kow h ALA 139 Ca 0.02 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 3kow h ALA 139 Cb 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3kow h ALA 139 CO 0.00 -0.07 -1.47 1.96 0.00 0.00 0.00 179.25 179.66 3kow h GLN 140 N 0.41 0.30 -0.20 0.00 4.20 -1.31 -2.06 115.11 116.46 3kow h GLN 140 Ca 0.24 -0.52 -0.03 0.00 0.06 0.00 0.00 58.65 58.41 3kow h GLN 140 Cb 0.41 0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 3kow h GLN 140 CO -0.06 1.25 0.01 -0.09 -0.67 0.00 0.00 178.83 179.26 3kow h ARG 141 N -0.17 0.28 0.04 1.46 9.65 -0.27 0.26 114.38 125.63 3kow h ARG 141 Ca -0.30 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.53 3kow h ARG 141 Cb 1.87 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 30.39 3kow h ARG 141 CO 0.11 0.30 -0.02 -0.22 2.80 0.00 0.00 179.97 182.94 3kow h LYS 142 N 0.28 -0.06 -0.88 0.20 3.64 -0.64 -2.45 116.57 116.66 3kow h LYS 142 Ca 0.07 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.59 3kow h LYS 142 Cb 0.18 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 31.93 3kow h LYS 142 CO 0.00 0.58 0.49 0.00 -2.27 0.00 0.00 179.45 178.25 3kow h ALA 143 N 0.01 1.33 0.00 5.00 0.00 -1.20 -1.12 119.26 123.27 3kow h ALA 143 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3kow h ALA 143 Cb 0.67 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3kow h ALA 143 CO 0.01 -0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.19 3kow h LEU 144 N 0.72 0.00 -0.37 0.00 3.38 -0.47 -1.87 115.31 116.71 3kow h LEU 144 Ca 0.47 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.25 3kow h LEU 144 Cb 0.59 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 3kow h LEU 144 CO -0.33 0.00 -0.75 0.44 0.09 0.00 0.00 178.44 177.89 3kow h ASP 145 N 0.00 0.52 0.37 -0.43 3.32 -0.70 -2.66 116.42 116.83 3kow h ASP 145 Ca 0.00 -0.35 -0.02 0.00 0.02 0.00 0.00 57.03 56.69 3kow h ASP 145 Cb 0.31 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3kow h ASP 145 CO 0.00 1.09 -0.18 -0.07 -1.72 0.00 0.00 179.24 178.37 3kow h LEU 146 N 0.29 -0.42 -1.71 1.55 3.38 -1.20 -2.98 115.31 114.22 3kow h LEU 146 Ca -0.04 -0.13 0.31 0.00 0.09 0.00 0.00 57.88 58.11 3kow h LEU 146 Cb 1.33 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 42.12 3kow h LEU 146 CO 0.13 0.02 0.76 0.40 0.09 0.00 0.00 178.44 179.84 3kow h ILE 147 N -0.98 0.46 -0.00 1.22 2.04 -1.55 -1.39 117.51 117.31 3kow h ILE 147 Ca -0.05 -0.06 -0.19 0.00 1.00 0.00 0.00 64.86 65.56 3kow h ILE 147 Cb 0.52 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3kow h ILE 147 CO 0.08 0.03 -0.84 1.05 0.00 0.00 0.00 178.15 178.47 3kow h GLU 148 N 0.17 0.18 0.39 2.37 4.11 -1.41 -2.14 114.58 118.24 3kow h GLU 148 Ca 0.57 -0.19 -0.02 0.00 0.07 0.00 0.00 59.36 59.80 3kow h GLU 148 Cb 1.91 0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.22 3kow h GLU 148 CO -0.14 0.92 -0.19 0.93 0.07 0.00 0.00 179.01 180.60 3kow h GLU 149 N 0.10 -0.50 -0.92 1.06 5.08 -1.12 0.19 114.58 118.47 3kow h GLU 149 Ca -0.04 0.03 0.25 0.00 -1.00 0.00 0.00 59.36 58.61 3kow h GLU 149 Cb 1.46 0.11 -0.14 0.00 0.50 0.00 0.00 28.75 30.68 3kow h GLU 149 CO 0.13 -0.20 0.39 1.49 -1.00 0.00 0.00 179.01 179.82 3kow h GLU 150 N -0.82 0.31 0.00 2.33 4.81 -1.43 0.15 114.58 119.93 3kow h GLU 150 Ca -0.05 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3kow h GLU 150 Cb 0.54 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.85 3kow h GLU 150 CO 0.09 0.21 -0.90 1.33 -0.73 0.00 0.00 179.01 179.00 3kow n VAL 151 N -5.10 0.36 -2.68 0.32 0.24 -0.81 -4.25 118.33 106.42 3kow n VAL 151 Ca 0.24 -0.35 -0.04 0.00 -2.04 0.00 0.00 64.34 62.15 3kow n VAL 151 Cb 0.75 -0.08 0.01 0.00 -1.47 0.00 0.00 33.84 33.05 3kow n VAL 151 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kow n GLY 152 N 1.30 0.66 3.64 7.63 0.00 0.51 -2.05 105.19 116.89 3kow n GLY 152 Ca 0.02 -0.52 -0.05 0.00 0.00 0.00 0.00 46.02 45.47 3kow n GLY 152 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kow s ARG 153 N -5.20 0.48 0.16 1.61 3.52 -0.96 -4.66 118.95 113.90 3kow s ARG 153 Ca 0.10 0.76 -0.31 0.00 -0.13 0.00 0.00 55.73 56.15 3kow s ARG 153 Cb -0.05 0.13 -0.10 0.00 -1.56 0.00 0.00 34.95 33.38 3kow s ARG 153 CO 0.13 -0.09 1.59 -1.25 -0.81 0.00 0.00 175.30 174.87 3kow s PRO 154 N 1.13 4.21 -0.23 5.12 0.04 -1.26 -4.72 135.00 139.28 3kow s PRO 154 Ca -0.06 2.37 -0.08 0.00 0.04 0.00 0.00 61.00 63.27 3kow s PRO 154 Cb -0.04 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 3kow s PRO 154 CO -0.13 -0.63 0.09 0.42 0.04 0.00 0.00 177.00 176.79 3kow s ILE 155 N 1.33 4.72 0.12 0.56 1.01 -1.26 -4.95 121.20 122.73 3kow s ILE 155 Ca 0.71 -0.04 -0.30 0.00 0.00 0.00 0.00 60.65 61.02 3kow s ILE 155 Cb -0.44 -3.19 -0.06 0.00 0.01 0.00 0.00 42.46 38.79 3kow s ILE 155 CO 0.31 0.36 1.02 0.20 0.00 0.00 0.00 174.94 176.84 3kow s ASN 156 N 1.18 7.39 -0.05 3.58 0.01 -0.52 -4.96 114.94 121.58 3kow s ASN 156 Ca 0.05 1.90 -0.00 0.00 -0.71 0.00 0.00 52.86 54.10 3kow s ASN 156 Cb -0.14 -2.59 -0.03 0.00 0.41 0.00 0.00 41.25 38.89 3kow s ASN 156 CO 0.04 -0.15 -0.01 -0.47 -1.51 0.00 0.00 177.10 175.01 3kow s TYR 157 N 0.03 3.10 -0.15 2.20 5.04 -1.26 -0.81 117.35 125.50 3kow s TYR 157 Ca 0.49 0.13 -0.10 0.00 -2.44 0.00 0.00 57.07 55.14 3kow s TYR 157 Cb -0.26 -1.73 0.05 0.00 0.35 0.00 0.00 41.96 40.37 3kow s TYR 157 CO 0.31 0.45 0.38 -1.58 -1.34 0.00 0.00 175.55 173.77 3kow s HIS 158 N -0.96 -0.50 0.00 4.97 5.65 -0.75 -1.34 115.29 122.35 3kow s HIS 158 Ca 0.16 1.13 0.00 0.00 0.25 0.00 0.00 55.06 56.60 3kow s HIS 158 Cb -0.11 0.20 0.00 0.00 -1.18 0.00 0.00 32.58 31.48 3kow s HIS 158 CO 0.06 -0.28 0.00 0.45 -0.65 0.00 0.00 174.74 174.32 3kow n SER 159 N 3.79 0.00 -4.30 9.88 2.88 -1.19 -0.28 113.62 124.40 3kow n SER 159 Ca -0.20 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.02 3kow n SER 159 Cb 0.56 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.86 3kow n SER 159 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3kow s TYR 160 N -1.59 2.47 -1.53 0.66 2.02 -1.26 -1.62 117.35 116.51 3kow s TYR 160 Ca 0.00 -0.64 0.16 0.00 -0.37 0.00 0.00 57.07 56.22 3kow s TYR 160 Cb 0.00 -1.61 0.01 0.00 -0.40 0.00 0.00 41.96 39.96 3kow s TYR 160 CO 0.00 -0.17 0.87 0.28 -1.57 0.00 0.00 175.55 174.97 3kow n VAL 161 N 2.88 0.00 -1.57 0.71 0.31 -0.40 -4.92 118.33 115.33 3kow n VAL 161 Ca -0.17 -0.35 -0.39 0.00 -0.01 0.00 0.00 64.34 63.42 3kow n VAL 161 Cb 0.52 1.20 0.04 0.00 -0.91 0.00 0.00 33.84 34.69 3kow n VAL 161 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3kow n SER 162 N -0.03 0.38 0.00 4.52 7.64 -1.25 -4.13 113.62 120.74 3kow n SER 162 Ca 0.07 0.86 0.00 0.00 1.01 0.00 0.00 58.87 60.81 3kow n SER 162 Cb 0.35 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 3kow n SER 162 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kow n GLY 163 N 1.41 0.58 0.03 0.23 0.00 -1.26 -4.50 105.19 101.68 3kow n GLY 163 Ca 0.12 -2.09 0.11 0.00 0.00 0.00 0.00 46.02 44.16 3kow n GLY 163 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kow n VAL 164 N 2.55 0.16 -2.35 1.61 0.24 -0.01 -4.15 118.33 116.37 3kow n VAL 164 Ca 0.00 -0.28 -0.26 0.00 -2.04 0.00 0.00 64.34 61.76 3kow n VAL 164 Cb 0.00 0.22 0.01 0.00 -1.47 0.00 0.00 33.84 32.59 3kow n VAL 164 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kow n ALA 165 N -1.89 5.01 0.11 2.33 0.00 -1.26 -4.79 120.51 120.03 3kow n ALA 165 Ca 0.01 -4.14 -0.13 0.00 0.00 0.00 0.00 53.44 49.18 3kow n ALA 165 Cb 0.45 -0.49 -0.07 0.00 0.00 0.00 0.00 19.45 19.35 3kow n ALA 165 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3kow h GLY 166 N 2.47 -0.26 1.63 0.00 0.00 -1.72 -2.51 103.07 102.69 3kow h GLY 166 Ca 0.31 0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.76 3kow h GLY 166 CO 0.81 -0.12 0.20 -2.55 0.00 0.00 0.00 176.54 174.88 3kow h PRO 167 N -0.27 0.49 0.34 4.80 0.11 -1.87 -1.55 132.00 134.06 3kow h PRO 167 Ca -0.00 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 3kow h PRO 167 Cb 0.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.26 3kow h PRO 167 CO -0.02 0.36 -0.17 -0.44 -0.21 0.00 0.00 178.00 177.53 3kow h ASP 168 N 0.50 -0.39 -0.85 -2.05 3.32 -1.87 -2.13 116.42 112.95 3kow h ASP 168 Ca 0.13 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 3kow h ASP 168 Cb 0.01 0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 3kow h ASP 168 CO -0.02 -0.23 0.47 0.40 -1.72 0.00 0.00 179.24 178.14 3kow h ILE 169 N -0.52 1.25 -0.35 0.35 2.04 -1.29 -2.51 117.51 116.48 3kow h ILE 169 Ca -0.05 -0.60 0.06 0.00 1.00 0.00 0.00 64.86 65.26 3kow h ILE 169 Cb 0.39 0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.52 3kow h ILE 169 CO 0.08 0.27 0.04 0.00 0.00 0.00 0.00 178.15 178.54 3kow h ALA 170 N 1.25 0.35 0.72 1.87 0.00 -1.20 0.96 119.26 123.21 3kow h ALA 170 Ca 0.30 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 3kow h ALA 170 Cb 0.02 0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.94 3kow h ALA 170 CO -0.05 -0.36 -0.35 0.28 0.00 0.00 0.00 179.25 178.77 3kow h VAL 171 N 0.15 0.28 -0.37 0.00 2.07 -0.98 0.15 116.25 117.54 3kow h VAL 171 Ca 0.17 -0.02 0.11 0.00 0.82 0.00 0.00 66.70 67.77 3kow h VAL 171 Cb 0.21 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3kow h VAL 171 CO -0.24 0.00 0.52 -0.03 0.02 0.00 0.00 177.57 177.84 3kow h MET 172 N -0.99 0.00 0.16 1.57 -1.53 -1.36 0.41 114.93 113.19 3kow h MET 172 Ca -0.10 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.15 3kow h MET 172 Cb 0.75 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.80 3kow h MET 172 CO 0.16 0.00 -0.08 0.74 0.14 0.00 0.00 176.91 177.88 3kow h PHE 173 N 0.00 -0.20 -0.85 1.39 -1.00 0.64 -2.43 116.94 114.50 3kow h PHE 173 Ca 0.18 -0.00 0.20 0.00 2.81 0.00 0.00 57.97 61.15 3kow h PHE 173 Cb 1.22 0.06 -0.15 0.00 3.61 0.00 0.00 35.95 40.69 3kow h PHE 173 CO 0.00 -0.12 -0.06 0.00 -1.61 0.00 0.00 178.31 176.52 3kow h ALA 174 N -1.14 0.81 -0.51 2.45 0.00 -0.60 -2.12 119.26 118.16 3kow h ALA 174 Ca -0.02 0.30 0.07 0.00 0.00 0.00 0.00 54.91 55.25 3kow h ALA 174 Cb 0.16 0.54 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 3kow h ALA 174 CO 0.04 -0.45 0.19 0.93 0.00 0.00 0.00 179.25 179.95 3kow h GLU 175 N 0.05 0.36 -0.57 0.00 5.08 -0.25 -3.24 114.58 116.01 3kow h GLU 175 Ca 0.46 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 3kow h GLU 175 Cb 0.82 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.99 3kow h GLU 175 CO -0.80 0.24 0.00 0.39 -1.00 0.00 0.00 179.01 177.84 3kow n GLU 176 N -5.00 3.32 -0.83 2.33 -0.58 -0.85 -4.85 120.64 114.18 3kow n GLU 176 Ca 0.05 -2.69 0.00 0.00 -0.42 0.00 0.00 57.16 54.10 3kow n GLU 176 Cb 0.20 -1.71 0.00 0.00 -0.57 0.00 0.00 31.44 29.36 3kow n GLU 176 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3kow n GLY 177 N 0.94 0.58 3.77 0.62 0.00 -0.89 -4.71 105.19 105.49 3kow n GLY 177 Ca 0.22 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 3kow n GLY 177 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kow s VAL 178 N -2.00 2.80 -0.09 1.61 1.01 -1.15 -4.79 120.40 117.80 3kow s VAL 178 Ca 0.00 0.78 0.11 0.00 0.00 0.00 0.00 61.98 62.87 3kow s VAL 178 Cb 0.00 -3.48 -0.17 0.00 0.00 0.00 0.00 36.38 32.73 3kow s VAL 178 CO 0.00 0.16 0.28 0.59 0.00 0.00 0.00 175.10 176.13 3kow n ASN 179 N 0.63 2.15 -4.06 3.32 4.13 -0.45 -4.60 115.26 116.38 3kow n ASN 179 Ca 0.01 -0.11 -0.09 0.00 1.68 0.00 0.00 54.58 56.07 3kow n ASN 179 Cb 0.43 1.44 -0.09 0.00 -1.54 0.00 0.00 39.78 40.02 3kow n ASN 179 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3kow s GLY 180 N -3.12 0.74 -0.20 7.41 0.00 -0.88 -0.32 107.32 110.95 3kow s GLY 180 Ca -0.03 -1.21 -0.28 0.00 0.00 0.00 0.00 44.72 43.21 3kow s GLY 180 CO 0.47 -1.14 0.89 0.00 0.00 0.00 0.00 173.10 173.31 3kow s ALA 181 N -4.00 -1.88 0.12 3.20 0.00 -0.28 -3.19 121.76 115.72 3kow s ALA 181 Ca 0.20 1.71 -0.30 0.00 0.00 0.00 0.00 51.96 53.57 3kow s ALA 181 Cb 0.06 -0.89 -0.07 0.00 0.00 0.00 0.00 23.12 22.22 3kow s ALA 181 CO 0.00 -0.30 1.16 -1.01 0.00 0.00 0.00 175.76 175.61 3kow s HIS 182 N -0.40 3.49 -0.20 0.00 3.76 -0.64 -1.71 115.29 119.59 3kow s HIS 182 Ca -0.02 1.44 -0.04 0.00 -0.15 0.00 0.00 55.06 56.29 3kow s HIS 182 Cb -0.03 -3.37 0.10 0.00 1.11 0.00 0.00 32.58 30.40 3kow s HIS 182 CO 0.01 -1.00 0.29 -1.14 -0.85 0.00 0.00 174.74 172.04 3kow s GLN 183 N 0.32 0.24 -0.16 1.40 -0.44 -0.91 -1.28 119.66 118.82 3kow s GLN 183 Ca 0.54 0.45 -0.04 0.00 -2.50 0.00 0.00 55.36 53.81 3kow s GLN 183 Cb -0.30 -0.69 0.08 0.00 -1.64 0.00 0.00 33.01 30.47 3kow s GLN 183 CO 0.33 -0.56 0.24 0.34 0.50 0.00 0.00 175.29 176.14 3kow s ASP 184 N 2.42 0.84 0.16 6.67 -1.08 -1.26 -4.63 116.67 119.79 3kow s ASP 184 Ca 0.07 0.18 -0.17 0.00 -0.52 0.00 0.00 52.55 52.11 3kow s ASP 184 Cb -0.15 0.54 0.07 0.00 -1.46 0.00 0.00 42.92 41.93 3kow s ASP 184 CO -0.13 -0.28 1.68 1.55 0.52 0.00 0.00 175.17 178.51 3kow h PRO 185 N 8.30 0.02 -0.88 4.34 0.13 -1.99 -2.55 132.00 139.37 3kow h PRO 185 Ca -0.16 -0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.11 3kow h PRO 185 Cb 1.13 -0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.17 3kow h PRO 185 CO 0.21 0.02 0.49 1.96 -0.23 0.00 0.00 178.00 180.45 3kow h GLN 186 N 0.02 0.71 -0.56 0.86 4.20 -1.96 0.86 115.11 119.24 3kow h GLN 186 Ca 0.17 -0.04 0.11 0.00 0.06 0.00 0.00 58.65 58.95 3kow h GLN 186 Cb 0.26 -0.16 -0.09 0.00 0.30 0.00 0.00 27.48 27.78 3kow h GLN 186 CO -0.35 0.47 0.01 -0.92 -0.67 0.00 0.00 178.83 177.38 3kow h TYR 187 N 0.73 -0.01 -0.82 2.96 3.20 -1.76 -0.20 116.97 121.06 3kow h TYR 187 Ca 0.46 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.37 3kow h TYR 187 Cb 0.58 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.91 3kow h TYR 187 CO -0.06 -0.13 0.50 -0.91 -1.64 0.00 0.00 178.16 175.92 3kow h ASN 188 N 0.13 0.98 0.09 -2.11 2.35 -0.79 -2.46 115.58 113.77 3kow h ASN 188 Ca 0.29 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.98 3kow h ASN 188 Cb 0.45 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3kow h ASN 188 CO -0.47 0.75 -0.05 0.58 -1.65 0.00 0.00 177.43 176.60 3kow h VAL 189 N 1.12 0.00 -0.97 2.81 2.07 -1.06 -1.18 116.25 119.05 3kow h VAL 189 Ca 0.30 -0.09 0.09 0.00 0.82 0.00 0.00 66.70 67.81 3kow h VAL 189 Cb -0.06 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.64 3kow h VAL 189 CO -0.06 0.00 0.61 -0.07 0.02 0.00 0.00 177.57 178.07 3kow h LEU 190 N -0.22 0.94 0.00 2.57 3.38 -1.12 -1.83 115.31 119.02 3kow h LEU 190 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kow h LEU 190 Cb 0.10 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3kow h LEU 190 CO 0.02 0.56 -1.47 -1.22 0.09 0.00 0.00 178.44 176.42 3kow n TYR 191 N -4.58 0.00 0.24 1.13 4.01 -0.93 -4.49 117.16 112.54 3kow n TYR 191 Ca 0.16 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.93 3kow n TYR 191 Cb 0.25 -0.26 0.01 0.00 -0.31 0.00 0.00 39.34 39.03 3kow n TYR 191 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3kow n ARG 192 N -1.87 1.32 -3.98 -0.72 5.12 -1.18 -5.00 116.66 110.34 3kow n ARG 192 Ca -0.02 -0.61 -0.28 0.00 -1.93 0.00 0.00 57.85 55.01 3kow n ARG 192 Cb 0.32 -1.01 -0.01 0.00 -1.16 0.00 0.00 32.46 30.60 3kow n ARG 192 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3kow n ASN 193 N -0.07 -1.78 -4.69 0.55 5.15 -0.69 -4.84 115.26 108.89 3kow n ASN 193 Ca 0.03 -0.95 -0.39 0.00 -0.60 0.00 0.00 54.58 52.67 3kow n ASN 193 Cb 0.13 -3.23 -0.06 0.00 -0.53 0.00 0.00 39.78 36.09 3kow n ASN 193 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3kow s ILE 194 N -3.67 5.11 0.09 -1.44 1.01 -0.46 -1.57 121.20 120.27 3kow s ILE 194 Ca 0.28 1.06 -0.34 0.00 0.00 0.00 0.00 60.65 61.64 3kow s ILE 194 Cb -0.15 -3.88 -0.19 0.00 0.01 0.00 0.00 42.46 38.26 3kow s ILE 194 CO 0.88 0.22 0.82 -3.20 0.00 0.00 0.00 174.94 173.66 3kow n ASN 195 N 4.35 -0.55 0.09 3.58 2.85 0.15 -3.96 115.26 121.76 3kow n ASN 195 Ca -0.04 1.15 -0.06 0.00 -0.11 0.00 0.00 54.58 55.51 3kow n ASN 195 Cb 0.51 -0.94 -0.03 0.00 1.24 0.00 0.00 39.78 40.56 3kow n ASN 195 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3kow h MET 196 N 2.10 0.04 -0.29 1.20 -0.00 -1.80 -0.67 114.93 115.52 3kow h MET 196 Ca -0.40 -0.06 -0.16 0.00 -0.00 0.00 0.00 59.70 59.08 3kow h MET 196 Cb 1.43 0.02 -0.01 0.00 -0.00 0.00 0.00 31.60 33.04 3kow h MET 196 CO 0.61 0.91 -0.45 0.82 -0.00 0.00 0.00 176.91 178.80 3kow h ILE 197 N 0.02 1.29 -0.23 -0.10 2.04 -1.90 -2.89 117.51 115.74 3kow h ILE 197 Ca -0.02 -1.64 -0.16 0.00 1.00 0.00 0.00 64.86 64.04 3kow h ILE 197 Cb 1.57 1.55 -0.01 0.00 -0.74 0.00 0.00 36.82 39.20 3kow h ILE 197 CO 0.12 0.53 -0.51 -0.09 0.00 0.00 0.00 178.15 178.20 3kow h ARG 198 N 0.59 0.63 -0.44 2.37 9.65 -1.89 -3.25 114.38 122.04 3kow h ARG 198 Ca 0.04 -0.38 -0.12 0.00 -1.10 0.00 0.00 59.98 58.42 3kow h ARG 198 Cb 1.01 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.61 3kow h ARG 198 CO 0.10 0.99 -0.19 1.03 2.80 0.00 0.00 179.97 184.69 3kow h SER 199 N 0.49 0.94 1.44 -3.80 0.87 -0.97 -2.49 113.55 110.03 3kow h SER 199 Ca 0.02 -0.40 -0.09 0.00 -1.23 0.00 0.00 61.79 60.09 3kow h SER 199 Cb 1.06 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 3kow h SER 199 CO 0.10 1.13 -0.45 -0.26 -0.53 0.00 0.00 176.83 176.82 3kow h PHE 200 N 0.75 0.00 -0.04 2.24 -1.00 -1.63 -2.59 116.94 114.67 3kow h PHE 200 Ca 0.10 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.86 3kow h PHE 200 Cb 0.76 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.32 3kow h PHE 200 CO 0.05 0.45 -0.04 0.82 -1.61 0.00 0.00 178.31 177.98 3kow h ILE 201 N 0.00 1.38 -0.86 -0.55 2.04 -1.57 -2.78 117.51 115.18 3kow h ILE 201 Ca -0.00 -1.21 0.11 0.00 1.00 0.00 0.00 64.86 64.76 3kow h ILE 201 Cb 1.28 2.11 -0.08 0.00 -0.74 0.00 0.00 36.82 39.39 3kow h ILE 201 CO 0.06 0.33 0.49 0.44 0.00 0.00 0.00 178.15 179.46 3kow h ASP 202 N -0.36 0.68 -0.69 1.72 5.19 -1.44 -2.73 116.42 118.79 3kow h ASP 202 Ca 0.01 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 3kow h ASP 202 Cb 0.55 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.96 3kow h ASP 202 CO 0.01 0.36 0.40 0.00 -3.12 0.00 0.00 179.24 176.89 3kow h ALA 203 N 1.50 0.88 -0.72 3.45 0.00 -1.43 0.44 119.26 123.38 3kow h ALA 203 Ca 0.43 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.41 3kow h ALA 203 Cb 0.46 -0.28 -0.11 0.00 0.00 0.00 0.00 17.79 17.87 3kow h ALA 203 CO -0.28 0.36 0.11 0.00 0.00 0.00 0.00 179.25 179.44 3kow h GLU 205 N 0.20 0.83 -0.09 0.00 4.57 -1.27 -2.83 114.58 115.99 3kow h GLU 205 Ca 0.40 -0.58 0.01 0.00 -1.18 0.00 0.00 59.36 58.01 3kow h GLU 205 Cb 0.68 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.35 3kow h GLU 205 CO -0.54 1.20 0.03 0.77 -1.18 0.00 0.00 179.01 179.29 3kow h SER 206 N 0.59 0.03 0.27 1.04 0.02 -0.37 -2.12 113.55 113.00 3kow h SER 206 Ca -0.01 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 3kow h SER 206 Cb 1.23 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.77 3kow h SER 206 CO 0.13 0.03 -0.29 0.11 -1.14 0.00 0.00 176.83 175.67 3kow h LYS 207 N 0.08 0.04 -0.39 3.45 1.57 -0.60 -2.08 116.57 118.63 3kow h LYS 207 Ca 0.04 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 3kow h LYS 207 Cb 0.02 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3kow h LYS 207 CO -0.04 0.33 -0.06 1.15 -0.57 0.00 0.00 179.45 180.26 3kow h THR 208 N 0.03 1.27 -0.24 -0.16 2.02 -1.21 -1.13 112.91 113.49 3kow h THR 208 Ca 0.00 -1.11 -0.06 0.00 0.77 0.00 0.00 66.41 66.01 3kow h THR 208 Cb 0.53 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 3kow h THR 208 CO 0.04 0.37 -0.13 0.40 0.37 0.00 0.00 175.52 176.57 3kow h ILE 209 N 0.54 1.21 0.01 3.11 2.04 -0.94 -2.46 117.51 121.03 3kow h ILE 209 Ca 0.10 -0.95 -0.20 0.00 1.00 0.00 0.00 64.86 64.81 3kow h ILE 209 Cb 0.56 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 3kow h ILE 209 CO 0.03 0.30 -0.91 0.24 0.00 0.00 0.00 178.15 177.81 3kow h MET 210 N 0.37 0.15 -0.46 2.37 2.86 -1.26 -2.47 114.93 116.49 3kow h MET 210 Ca 0.07 -0.18 0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3kow h MET 210 Cb 0.46 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.15 3kow h MET 210 CO 0.03 0.96 0.30 0.00 1.06 0.00 0.00 176.91 179.26 3kow h ALA 211 N 0.97 0.59 -0.12 6.32 0.00 -0.94 -1.59 119.26 124.49 3kow h ALA 211 Ca -0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kow h ALA 211 Cb 1.56 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 3kow h ALA 211 CO 0.14 0.02 0.06 2.35 0.00 0.00 0.00 179.25 181.81 3kow h TRP 212 N 0.61 0.16 0.00 0.00 7.01 -1.38 -1.87 115.95 120.48 3kow h TRP 212 Ca 0.18 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.17 3kow h TRP 212 Cb -0.05 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 26.96 3kow h TRP 212 CO -0.05 0.21 0.00 0.00 -2.79 0.00 0.00 178.44 175.81 3kow n ALA 213 N -2.18 1.95 -2.15 2.65 0.00 -0.94 -4.84 120.51 115.00 3kow n ALA 213 Ca -0.05 -0.06 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 3kow n ALA 213 Cb 0.08 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.36 3kow n ALA 213 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3kow n ASP 214 N -0.88 -3.16 -4.79 0.00 2.03 -0.70 -3.13 116.55 105.91 3kow n ASP 214 Ca 0.07 0.25 -0.32 0.00 0.52 0.00 0.00 54.79 55.32 3kow n ASP 214 Cb 0.03 -2.80 0.05 0.00 -0.72 0.00 0.00 41.12 37.69 3kow n ASP 214 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 3kow s MET 215 N -4.46 2.82 0.34 -0.67 -1.94 -0.63 -2.92 119.30 111.84 3kow s MET 215 Ca 0.00 1.16 -0.19 0.00 -1.71 0.00 0.00 55.69 54.96 3kow s MET 215 Cb 0.00 -1.97 -0.10 0.00 2.01 0.00 0.00 34.83 34.78 3kow s MET 215 CO 0.00 -1.21 0.82 0.00 -0.01 0.00 0.00 175.02 174.62 3kow s ALA 216 N -2.72 3.24 0.01 3.03 0.00 0.56 -4.80 121.76 121.08 3kow s ALA 216 Ca 0.62 0.22 0.07 0.00 0.00 0.00 0.00 51.96 52.87 3kow s ALA 216 Cb -0.17 -2.94 -0.02 0.00 0.00 0.00 0.00 23.12 20.00 3kow s ALA 216 CO 0.48 0.25 -0.22 -1.14 0.00 0.00 0.00 175.76 175.13 3kow s GLN 217 N -2.80 1.66 -0.04 0.00 0.74 0.11 -1.13 119.66 118.19 3kow s GLN 217 Ca 0.55 -0.86 0.06 0.00 0.05 0.00 0.00 55.36 55.15 3kow s GLN 217 Cb -0.12 -1.68 -0.02 0.00 1.10 0.00 0.00 33.01 32.30 3kow s GLN 217 CO 0.17 0.45 -0.22 0.42 -0.55 0.00 0.00 175.29 175.56 3kow s ILE 218 N -0.63 2.37 1.22 -2.34 1.01 -0.69 -0.96 121.20 121.17 3kow s ILE 218 Ca 0.08 -0.98 -0.17 0.00 0.00 0.00 0.00 60.65 59.58 3kow s ILE 218 Cb -0.09 -1.87 0.25 0.00 0.01 0.00 0.00 42.46 40.77 3kow s ILE 218 CO 0.00 0.58 0.60 0.47 0.00 0.00 0.00 174.94 176.59 3kow n ASP 219 N 2.55 -2.67 -2.13 3.58 9.92 -0.40 -2.14 116.55 125.25 3kow n ASP 219 Ca -0.17 -0.36 -0.19 0.00 -0.53 0.00 0.00 54.79 53.54 3kow n ASP 219 Cb 0.52 -1.05 0.03 0.00 -0.64 0.00 0.00 41.12 39.97 3kow n ASP 219 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kow n GLY 223 N 1.70 5.58 0.09 0.44 0.00 -1.26 -4.69 105.19 107.04 3kow n GLY 223 Ca 0.04 -2.37 0.11 0.00 0.00 0.00 0.00 46.02 43.81 3kow n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kow n ALA 224 N -0.69 2.70 0.00 4.61 0.00 -1.26 -3.48 120.51 122.38 3kow n ALA 224 Ca 0.37 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3kow n ALA 224 Cb 0.94 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.32 3kow n ALA 224 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3kow n HIS 225 N -2.49 0.00 0.20 0.00 1.44 -1.23 -0.21 115.22 112.93 3kow n HIS 225 Ca 0.00 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.81 3kow n HIS 225 Cb 0.53 -0.41 0.13 0.00 0.12 0.00 0.00 29.99 30.36 3kow n HIS 225 CO 0.00 0.00 0.00 -0.91 -2.81 0.00 0.00 176.34 172.62 3kow h ASN 226 N 0.00 0.00 -0.32 4.39 2.35 -1.92 -3.28 115.58 116.80 3kow h ASN 226 Ca 0.00 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.62 3kow h ASN 226 Cb 0.15 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.52 3kow h ASN 226 CO 0.00 0.11 -0.31 0.00 -1.65 0.00 0.00 177.43 175.59 3kow h ALA 227 N 1.89 0.46 -0.52 -0.83 0.00 -0.83 -2.77 119.26 116.67 3kow h ALA 227 Ca -0.00 -0.41 0.04 0.00 0.00 0.00 0.00 54.91 54.54 3kow h ALA 227 Cb 1.09 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 3kow h ALA 227 CO 0.01 0.50 0.27 -0.91 0.00 0.00 0.00 179.25 179.12 3kow h ASN 228 N 0.53 0.40 -0.76 0.00 4.21 -1.68 -0.99 115.58 117.29 3kow h ASN 228 Ca 0.05 0.02 0.14 0.00 1.21 0.00 0.00 56.30 57.73 3kow h ASN 228 Cb 0.88 -0.05 -0.14 0.00 -1.12 0.00 0.00 38.32 37.89 3kow h ASN 228 CO 0.08 0.28 -0.26 0.00 -1.29 0.00 0.00 177.43 176.23 3kow h ALA 229 N 1.27 0.31 -0.00 -0.83 0.00 -1.59 -2.87 119.26 115.54 3kow h ALA 229 Ca 0.22 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3kow h ALA 229 Cb 0.12 0.71 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3kow h ALA 229 CO -0.15 -0.52 -0.53 0.25 0.00 0.00 0.00 179.25 178.30 3kow n THR 230 N -5.49 0.00 -2.16 0.00 -2.24 -0.81 -4.94 114.28 98.64 3kow n THR 230 Ca 0.09 -0.05 -0.34 0.00 -2.27 0.00 0.00 64.05 61.48 3kow n THR 230 Cb 0.39 0.51 0.01 0.00 -2.10 0.00 0.00 70.33 69.13 3kow n THR 230 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kow s ALA 231 N -2.84 2.68 -0.06 6.98 0.00 -0.44 -4.98 121.76 123.10 3kow s ALA 231 Ca 0.14 0.65 -0.26 0.00 0.00 0.00 0.00 51.96 52.50 3kow s ALA 231 Cb 0.18 -3.31 -0.21 0.00 0.00 0.00 0.00 23.12 19.78 3kow s ALA 231 CO 0.68 -0.81 1.03 0.00 0.00 0.00 0.00 175.76 176.66 3kow h ARG 232 N 0.88 -0.04 -4.30 0.00 2.47 -1.88 -3.42 114.38 108.09 3kow h ARG 232 Ca -0.49 0.00 -0.58 0.00 -1.26 0.00 0.00 59.98 57.65 3kow h ARG 232 Cb 1.24 0.01 -0.38 0.00 -1.65 0.00 0.00 29.97 29.20 3kow h ARG 232 CO 0.57 0.59 -0.79 -1.21 0.56 0.00 0.00 179.97 179.68 3kow s GLU 233 N -3.45 1.62 0.59 0.04 2.02 -1.26 -5.03 118.70 113.23 3kow s GLU 233 Ca -0.16 -0.73 0.35 0.00 0.02 0.00 0.00 54.97 54.45 3kow s GLU 233 Cb -0.00 -2.28 1.89 0.00 0.10 0.00 0.00 34.13 33.84 3kow s GLU 233 CO 0.63 -0.48 2.22 0.00 0.02 0.00 0.00 175.26 177.65 3kow h ALA 234 N 8.04 1.23 0.00 5.21 0.00 -1.85 -2.10 119.26 129.79 3kow h ALA 234 Ca -0.23 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3kow h ALA 234 Cb 1.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3kow h ALA 234 CO 0.42 0.04 0.00 0.11 0.00 0.00 0.00 179.25 179.82 3kow h TRP 235 N 0.00 0.00 -0.16 0.00 0.09 -1.96 -3.08 115.95 110.84 3kow h TRP 235 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 3kow h TRP 235 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.38 3kow h TRP 235 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 178.44 180.16 3kow n LYS 236 N -2.41 2.23 -0.19 0.12 5.02 -0.79 -4.32 118.16 117.81 3kow n LYS 236 Ca 0.01 -1.81 0.05 0.00 -2.02 0.00 0.00 58.31 54.54 3kow n LYS 236 Cb 0.21 -1.47 0.15 0.00 -0.02 0.00 0.00 35.03 33.89 3kow n LYS 236 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 3kow n VAL 237 N 1.11 1.22 -0.10 -0.18 3.14 -1.16 -4.03 118.33 118.32 3kow n VAL 237 Ca 0.17 -1.16 -0.11 0.00 -2.96 0.00 0.00 64.34 60.28 3kow n VAL 237 Cb 0.54 0.37 -0.03 0.00 -1.06 0.00 0.00 33.84 33.65 3kow n VAL 237 CO 0.00 0.00 0.00 0.24 -6.46 0.00 0.00 176.83 170.61 3kow h MET 238 N 1.67 0.49 -0.34 1.45 2.86 -1.77 -1.66 114.93 117.63 3kow h MET 238 Ca 0.00 -0.14 -0.05 0.00 -2.06 0.00 0.00 59.70 57.45 3kow h MET 238 Cb 0.81 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.40 3kow h MET 238 CO 0.03 0.61 -0.02 -1.35 1.06 0.00 0.00 176.91 177.25 3kow h PRO 239 N 0.29 0.53 -0.05 -0.22 0.11 -1.90 0.28 132.00 131.04 3kow h PRO 239 Ca 0.09 -0.12 -0.05 0.00 0.11 0.00 0.00 66.00 66.03 3kow h PRO 239 Cb 0.37 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 3kow h PRO 239 CO 0.01 0.57 -0.19 1.49 -0.21 0.00 0.00 178.00 179.66 3kow h GLU 240 N 0.50 0.08 -0.43 1.05 4.81 -1.86 -2.97 114.58 115.76 3kow h GLU 240 Ca 0.11 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.23 3kow h GLU 240 Cb 0.35 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 3kow h GLU 240 CO 0.01 0.27 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.40 3kow h LEU 241 N 0.07 0.83 -1.21 1.64 3.38 0.00 -2.60 115.31 117.42 3kow h LEU 241 Ca 0.01 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.56 3kow h LEU 241 Cb 0.38 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3kow h LEU 241 CO 0.03 0.99 -0.16 0.24 0.09 0.00 0.00 178.44 179.63 3kow h MET 242 N 0.65 0.35 -0.06 1.13 2.86 -1.13 -1.39 114.93 117.35 3kow h MET 242 Ca 0.11 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 3kow h MET 242 Cb 0.62 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.24 3kow h MET 242 CO 0.04 0.51 -0.03 0.28 1.06 0.00 0.00 176.91 178.77 3kow h VAL 243 N 0.33 1.34 -0.52 -2.22 2.07 -1.50 -1.28 116.25 114.47 3kow h VAL 243 Ca 0.06 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.51 3kow h VAL 243 Cb 0.48 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 3kow h VAL 243 CO 0.03 0.29 0.32 1.56 0.02 0.00 0.00 177.57 179.80 3kow h GLN 244 N -0.27 0.69 0.12 1.57 4.20 -1.18 0.15 115.11 120.39 3kow h GLN 244 Ca 0.01 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 3kow h GLN 244 Cb 0.49 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.12 3kow h GLN 244 CO 0.01 0.48 -0.06 0.45 -0.67 0.00 0.00 178.83 179.04 3kow h HIS 245 N 0.71 -0.15 -0.87 2.96 3.86 -1.19 -2.85 115.15 117.63 3kow h HIS 245 Ca 0.19 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.39 3kow h HIS 245 Cb -0.05 0.05 -0.04 0.00 1.06 0.00 0.00 27.41 28.43 3kow h HIS 245 CO 0.00 0.02 0.51 0.00 0.86 0.00 0.00 177.93 179.32 3kow h ALA 246 N 0.57 1.26 -0.55 2.45 0.00 -0.55 -0.48 119.26 121.96 3kow h ALA 246 Ca -0.02 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 3kow h ALA 246 Cb 0.24 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3kow h ALA 246 CO 0.03 0.62 -0.09 -0.07 0.00 0.00 0.00 179.25 179.75 3kow h LEU 247 N 1.20 1.01 0.06 0.00 3.38 -0.68 -1.22 115.31 119.06 3kow h LEU 247 Ca 0.31 -0.32 -0.28 0.00 0.09 0.00 0.00 57.88 57.68 3kow h LEU 247 Cb -0.02 -0.27 0.02 0.00 0.09 0.00 0.00 40.66 40.47 3kow h LEU 247 CO -0.06 1.11 -1.19 -1.13 0.09 0.00 0.00 178.44 177.27 3kow h ASN 248 N 0.91 0.73 0.30 -0.43 -1.24 -1.44 -3.04 115.58 111.36 3kow h ASN 248 Ca 0.15 -0.67 -0.01 0.00 0.71 0.00 0.00 56.30 56.48 3kow h ASN 248 Cb 0.64 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.45 3kow h ASN 248 CO 0.04 1.49 -0.28 0.28 -1.29 0.00 0.00 177.43 177.67 3kow h SER 249 N 0.23 -0.76 -0.80 1.15 0.02 -0.77 -2.22 113.55 110.41 3kow h SER 249 Ca -0.16 0.06 0.04 0.00 -0.84 0.00 0.00 61.79 60.89 3kow h SER 249 Cb 1.86 0.25 -0.05 0.00 0.14 0.00 0.00 62.40 64.60 3kow h SER 249 CO 0.22 -0.38 0.51 -0.29 -1.14 0.00 0.00 176.83 175.75 3kow h ILE 250 N -0.57 1.11 -0.98 3.27 6.09 -1.40 -0.88 117.51 124.14 3kow h ILE 250 Ca -0.04 -0.34 0.23 0.00 -1.37 0.00 0.00 64.86 63.35 3kow h ILE 250 Cb 0.49 0.04 -0.08 0.00 0.47 0.00 0.00 36.82 37.74 3kow h ILE 250 CO -0.02 0.18 0.64 0.15 -3.07 0.00 0.00 178.15 176.02 3kow h PHE 251 N 0.98 0.67 0.09 2.19 3.57 -1.47 0.80 116.94 123.76 3kow h PHE 251 Ca 0.32 0.02 -0.29 0.00 3.53 0.00 0.00 57.97 61.55 3kow h PHE 251 Cb 0.03 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 3kow h PHE 251 CO -0.03 0.12 -1.48 0.77 -2.23 0.00 0.00 178.31 175.46 3kow h SER 252 N 0.45 0.30 0.14 0.41 0.02 -0.56 -2.93 113.55 111.39 3kow h SER 252 Ca 0.54 -0.41 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3kow h SER 252 Cb 1.29 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.73 3kow h SER 252 CO -0.26 1.34 -0.07 0.25 -1.14 0.00 0.00 176.83 176.96 3kow h LEU 253 N 0.05 -0.16 -1.70 5.07 5.85 -0.51 -2.11 115.31 121.80 3kow h LEU 253 Ca -0.22 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.42 3kow h LEU 253 Cb 1.98 0.04 0.00 0.00 0.37 0.00 0.00 40.66 43.05 3kow h LEU 253 CO 0.15 -0.02 0.00 0.11 -0.34 0.00 0.00 178.44 178.34 3kow h LYS 254 N -0.30 0.00 0.00 1.25 1.79 -0.92 0.10 116.57 118.50 3kow h LYS 254 Ca -0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 3kow h LYS 254 Cb 0.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 3kow h LYS 254 CO 0.03 0.00 -0.74 0.28 -1.08 0.00 0.00 179.45 177.94 3kow n VAL 255 N -2.64 0.10 0.00 0.50 0.31 -0.89 -4.96 118.33 110.74 3kow n VAL 255 Ca -0.01 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 3kow n VAL 255 Cb 0.14 0.28 0.00 0.00 -0.91 0.00 0.00 33.84 33.35 3kow n VAL 255 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3kow n GLY 256 N 1.44 1.20 3.75 2.92 0.00 0.35 -4.81 105.19 110.04 3kow n GLY 256 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3kow n GLY 256 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kow s MET 257 N -0.13 3.26 -0.13 1.61 -1.94 -0.85 -4.98 119.30 116.16 3kow s MET 257 Ca 0.00 2.14 -0.11 0.00 -1.71 0.00 0.00 55.69 56.01 3kow s MET 257 Cb 0.00 -2.29 -0.05 0.00 2.01 0.00 0.00 34.83 34.51 3kow s MET 257 CO 0.00 -1.06 0.23 -1.59 -0.01 0.00 0.00 175.02 172.59 3kow s LYS 258 N -2.86 3.90 0.39 2.03 -2.85 -1.26 -4.36 119.74 114.72 3kow s LYS 258 Ca 0.70 0.01 0.27 0.00 -1.00 0.00 0.00 55.97 55.95 3kow s LYS 258 Cb -0.38 -3.31 1.35 0.00 -2.06 0.00 0.00 37.83 33.44 3kow s LYS 258 CO 0.45 0.52 1.47 1.63 0.10 0.00 0.00 175.35 179.51 3kow n LYS 259 N 2.70 -0.04 0.00 1.78 5.02 -1.26 0.58 118.16 126.94 3kow n LYS 259 Ca -0.16 1.21 0.15 0.00 -2.02 0.00 0.00 58.31 57.49 3kow n LYS 259 Cb 0.53 -2.31 0.91 0.00 -0.02 0.00 0.00 35.03 34.13 3kow n LYS 259 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3kow n SER 260 N -4.75 0.00 -0.33 4.39 3.41 -1.26 -2.49 113.62 112.58 3kow n SER 260 Ca 0.37 -0.96 0.06 0.00 -0.26 0.00 0.00 58.87 58.08 3kow n SER 260 Cb 1.38 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 65.35 3kow n SER 260 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kow n ASN 261 N -1.00 1.55 -4.63 4.04 3.02 0.20 -4.76 115.26 113.67 3kow n ASN 261 Ca 0.23 -1.27 -0.36 0.00 -0.03 0.00 0.00 54.58 53.15 3kow n ASN 261 Cb 0.10 0.30 -0.10 0.00 -0.61 0.00 0.00 39.78 39.47 3kow n ASN 261 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3kow s ILE 262 N -1.28 5.13 -0.11 2.41 1.01 -1.04 -0.72 121.20 126.61 3kow s ILE 262 Ca 0.11 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.86 3kow s ILE 262 Cb 0.09 -3.38 0.02 0.00 0.01 0.00 0.00 42.46 39.21 3kow s ILE 262 CO 0.23 0.37 -0.10 0.00 0.00 0.00 0.00 174.94 175.44 3kow s LEU 264 N 1.41 4.25 -0.62 0.00 1.02 -1.04 -1.27 118.68 122.42 3kow s LEU 264 Ca 0.00 1.69 -0.21 0.00 0.02 0.00 0.00 54.13 55.64 3kow s LEU 264 Cb -0.13 -3.55 0.08 0.00 0.02 0.00 0.00 46.19 42.60 3kow s LEU 264 CO -0.06 -0.57 0.84 -0.55 0.02 0.00 0.00 176.35 176.03 3kow s SER 265 N 1.40 6.19 -0.31 2.29 0.15 -1.26 -0.29 113.70 121.87 3kow s SER 265 Ca 0.53 -1.12 -0.01 0.00 0.70 0.00 0.00 55.95 56.04 3kow s SER 265 Cb -0.22 -2.37 0.06 0.00 -1.71 0.00 0.00 66.02 61.78 3kow s SER 265 CO 0.19 -1.27 0.02 0.28 1.20 0.00 0.00 173.24 173.65 3kow s THR 266 N 3.44 2.93 0.08 6.45 -1.32 -0.57 -3.56 115.64 123.09 3kow s THR 266 Ca 0.18 -1.52 -0.25 0.00 -1.21 0.00 0.00 61.69 58.89 3kow s THR 266 Cb -0.20 -2.75 -0.06 0.00 -1.51 0.00 0.00 72.50 67.99 3kow s THR 266 CO 0.09 -0.19 0.77 -0.69 -2.21 0.00 0.00 174.62 172.39 3kow s VAL 267 N 1.21 4.64 0.02 5.08 1.01 -1.26 -2.48 120.40 128.63 3kow s VAL 267 Ca -0.03 1.64 -0.30 0.00 0.00 0.00 0.00 61.98 63.29 3kow s VAL 267 Cb -0.20 -4.12 -0.08 0.00 0.00 0.00 0.00 36.38 31.98 3kow s VAL 267 CO -0.02 0.41 1.76 -2.84 0.00 0.00 0.00 175.10 174.41 3kow s PRO 268 N -0.34 4.17 0.13 2.72 0.02 -1.26 -4.98 135.00 135.46 3kow s PRO 268 Ca 0.38 2.39 -0.19 0.00 0.02 0.00 0.00 61.00 63.60 3kow s PRO 268 Cb -0.21 -3.91 -0.04 0.00 0.02 0.00 0.00 34.50 30.36 3kow s PRO 268 CO 0.24 -0.85 1.77 -1.35 -0.33 0.00 0.00 177.00 176.48 3kow h PRO 269 N 9.47 0.27 -6.00 5.54 0.11 -1.93 -3.44 132.00 136.02 3kow h PRO 269 Ca -0.44 -0.02 -0.58 0.00 0.11 0.00 0.00 66.00 65.07 3kow h PRO 269 Cb 1.21 -0.06 -0.10 0.00 0.11 0.00 0.00 31.00 32.15 3kow h PRO 269 CO 0.94 0.18 -0.60 0.95 -0.21 0.00 0.00 178.00 179.26 3kow s THR 270 N -6.17 2.62 0.09 -1.15 -4.23 -1.26 -4.69 115.64 100.84 3kow s THR 270 Ca -0.13 -1.94 0.07 0.00 -1.18 0.00 0.00 61.69 58.51 3kow s THR 270 Cb 0.09 -2.83 -0.03 0.00 1.34 0.00 0.00 72.50 71.07 3kow s THR 270 CO 0.70 -0.18 -0.18 0.00 -0.54 0.00 0.00 174.62 174.41 3kow s ALA 271 N -2.52 1.56 0.40 3.99 0.00 -1.26 -4.77 121.76 119.16 3kow s ALA 271 Ca 0.35 -1.15 -0.25 0.00 0.00 0.00 0.00 51.96 50.92 3kow s ALA 271 Cb 0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 23.12 22.82 3kow s ALA 271 CO 0.20 0.29 1.01 -2.30 0.00 0.00 0.00 175.76 174.95 3kow n PRO 272 N 1.18 1.36 0.00 0.00 -0.02 -1.26 -1.52 135.00 134.74 3kow n PRO 272 Ca -0.20 0.49 0.14 0.00 -2.02 0.00 0.00 63.50 61.91 3kow n PRO 272 Cb 0.54 -2.02 0.78 0.00 -0.02 0.00 0.00 33.50 32.78 3kow n PRO 272 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3kow n PRO 273 N 0.24 0.66 -1.76 0.52 -0.02 -1.26 -5.08 135.00 128.30 3kow n PRO 273 Ca 0.09 0.01 -0.36 0.00 -2.02 0.00 0.00 63.50 61.22 3kow n PRO 273 Cb 0.38 -1.50 0.06 0.00 -0.02 0.00 0.00 33.50 32.42 3kow n PRO 273 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kow s ALA 274 N -2.28 2.37 -0.51 3.55 0.00 -0.58 -4.82 121.76 119.50 3kow s ALA 274 Ca 0.35 1.08 -0.07 0.00 0.00 0.00 0.00 51.96 53.32 3kow s ALA 274 Cb 0.19 -3.51 -0.21 0.00 0.00 0.00 0.00 23.12 19.60 3kow s ALA 274 CO 0.38 -1.53 3.33 -0.35 0.00 0.00 0.00 175.76 177.58 3kow n PRO 275 N -1.99 2.47 -0.22 0.00 -0.05 -1.26 -4.78 135.00 129.17 3kow n PRO 275 Ca 0.15 -1.35 -0.05 0.00 -0.05 0.00 0.00 63.50 62.20 3kow n PRO 275 Cb 0.49 -2.24 -0.04 0.00 -0.05 0.00 0.00 33.50 31.66 3kow n PRO 275 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 175.50 174.32 3kow n SER 276 N 2.87 -0.54 -0.20 3.54 3.41 -1.26 -1.29 113.62 120.15 3kow n SER 276 Ca 0.53 0.96 -0.04 0.00 -0.26 0.00 0.00 58.87 60.06 3kow n SER 276 Cb 0.68 -0.14 0.03 0.00 -0.26 0.00 0.00 64.21 64.51 3kow n SER 276 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 3kow h MET 277 N 0.00 -0.12 -0.33 4.33 2.86 -1.91 0.64 114.93 120.40 3kow h MET 277 Ca 0.10 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.72 3kow h MET 277 Cb 0.24 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 3kow h MET 277 CO -0.51 -0.08 0.07 -0.92 1.06 0.00 0.00 176.91 176.53 3kow h TYR 278 N -0.12 0.49 0.07 -0.22 3.20 -1.61 0.21 116.97 118.99 3kow h TYR 278 Ca 0.26 -0.03 -0.25 0.00 3.14 0.00 0.00 58.73 61.85 3kow h TYR 278 Cb 0.53 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 3kow h TYR 278 CO -0.60 0.44 -1.13 -0.07 -1.64 0.00 0.00 178.16 175.17 3kow h LEU 279 N 0.48 0.25 0.03 2.82 3.38 -1.20 -3.41 115.31 117.66 3kow h LEU 279 Ca 0.11 -0.26 -0.26 0.00 0.09 0.00 0.00 57.88 57.56 3kow h LEU 279 Cb 0.21 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3kow h LEU 279 CO -0.00 1.20 -1.43 0.47 0.09 0.00 0.00 178.44 178.76 3kow n ASP 280 N -3.47 1.92 -0.25 -0.43 8.00 0.21 -4.24 116.55 118.30 3kow n ASP 280 Ca -0.05 0.38 -0.04 0.00 0.71 0.00 0.00 54.79 55.79 3kow n ASP 280 Cb 0.98 -0.95 0.02 0.00 -0.02 0.00 0.00 41.12 41.15 3kow n ASP 280 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3kow h LEU 281 N -0.77 -1.20 -0.93 0.64 5.85 -0.80 -0.42 115.31 117.68 3kow h LEU 281 Ca -0.37 0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.65 3kow h LEU 281 Cb 1.47 0.61 -0.06 0.00 0.37 0.00 0.00 40.66 43.05 3kow h LEU 281 CO -0.15 -0.30 0.59 -0.65 -0.34 0.00 0.00 178.44 177.60 3kow h PRO 282 N -0.12 1.07 0.09 5.25 0.11 -1.78 -0.53 132.00 136.10 3kow h PRO 282 Ca 0.27 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 66.33 3kow h PRO 282 Cb 0.56 -0.24 -0.03 0.00 0.11 0.00 0.00 31.00 31.40 3kow h PRO 282 CO -0.76 0.71 -0.18 -0.92 -0.21 0.00 0.00 178.00 176.64 3kow h TYR 283 N 1.10 -0.48 -0.83 0.65 3.20 -1.31 0.15 116.97 119.45 3kow h TYR 283 Ca 0.39 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.36 3kow h TYR 283 Cb 0.11 0.20 -0.07 0.00 1.54 0.00 0.00 36.73 38.51 3kow h TYR 283 CO -0.02 -0.27 0.48 0.00 -1.64 0.00 0.00 178.16 176.71 3kow h ALA 284 N 0.49 1.18 0.00 1.82 0.00 -0.54 0.24 119.26 122.45 3kow h ALA 284 Ca 0.03 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3kow h ALA 284 Cb 0.37 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3kow h ALA 284 CO -0.11 0.11 -0.50 0.28 0.00 0.00 0.00 179.25 179.03 3kow h VAL 285 N 0.81 1.19 0.19 0.00 2.07 -0.94 -2.22 116.25 117.35 3kow h VAL 285 Ca 0.40 -1.82 -0.25 0.00 0.82 0.00 0.00 66.70 65.85 3kow h VAL 285 Cb 0.35 2.03 0.03 0.00 -1.52 0.00 0.00 31.29 32.17 3kow h VAL 285 CO -0.24 0.49 -1.08 0.00 0.02 0.00 0.00 177.57 176.76 3kow h ALA 286 N 1.50 -0.12 0.03 1.67 0.00 0.29 -3.04 119.26 119.59 3kow h ALA 286 Ca -0.01 -0.76 -0.00 0.00 0.00 0.00 0.00 54.91 54.14 3kow h ALA 286 Cb 0.99 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3kow h ALA 286 CO 0.07 0.50 -0.01 1.25 0.00 0.00 0.00 179.25 181.05 3kow h LEU 287 N -0.16 -0.03 -0.28 0.00 5.85 -0.59 -2.09 115.31 118.00 3kow h LEU 287 Ca -0.19 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.53 3kow h LEU 287 Cb 1.85 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.89 3kow h LEU 287 CO 0.20 -0.01 0.00 0.54 -0.34 0.00 0.00 178.44 178.83 3kow n ARG 288 N -5.10 0.15 0.07 1.25 1.74 -0.83 -1.03 116.66 112.91 3kow n ARG 288 Ca -0.07 0.28 -0.20 0.00 -0.77 0.00 0.00 57.85 57.08 3kow n ARG 288 Cb 0.05 -1.74 -0.15 0.00 -1.02 0.00 0.00 32.46 29.60 3kow n ARG 288 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3kow h GLU 289 N 0.00 0.33 -0.48 5.56 5.08 -1.44 -3.29 114.58 120.34 3kow h GLU 289 Ca 0.00 -0.57 -0.11 0.00 -1.00 0.00 0.00 59.36 57.69 3kow h GLU 289 Cb 0.47 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 3kow h GLU 289 CO 0.00 1.22 -0.12 1.98 -1.00 0.00 0.00 179.01 181.09 3kow h MET 290 N 0.09 0.90 -1.14 2.33 4.05 -0.64 -3.22 114.93 117.30 3kow h MET 290 Ca -0.29 -0.32 -0.65 0.00 -0.28 0.00 0.00 59.70 58.17 3kow h MET 290 Cb 2.06 -0.06 -0.34 0.00 -0.80 0.00 0.00 31.60 32.46 3kow h MET 290 CO 0.18 0.97 0.22 1.19 0.23 0.00 0.00 176.91 179.70 3kow n PHE 291 N -4.15 3.07 -1.66 1.39 3.72 -0.20 -5.02 117.46 114.62 3kow n PHE 291 Ca 0.01 -2.69 -0.45 0.00 -0.05 0.00 0.00 57.45 54.27 3kow n PHE 291 Cb 0.39 -0.93 -0.03 0.00 -0.94 0.00 0.00 39.48 37.97 3kow n PHE 291 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3kow n GLU 292 N -0.75 1.97 0.00 -1.08 1.02 -1.22 -1.70 120.64 118.87 3kow n GLU 292 Ca 0.53 0.70 0.00 0.00 -0.02 0.00 0.00 57.16 58.37 3kow n GLU 292 Cb 0.69 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 3kow n GLU 292 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kow n GLY 293 N 2.28 3.07 3.87 0.62 0.00 -1.26 -5.05 105.19 108.71 3kow n GLY 293 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 3kow n GLY 293 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kow s TYR 294 N -2.63 3.46 0.47 1.61 2.02 -0.69 -4.27 117.35 117.32 3kow s TYR 294 Ca 0.00 0.92 -0.23 0.00 -0.37 0.00 0.00 57.07 57.39 3kow s TYR 294 Cb 0.00 -2.29 -0.07 0.00 -0.40 0.00 0.00 41.96 39.20 3kow s TYR 294 CO 0.00 0.30 1.24 1.03 -1.57 0.00 0.00 175.55 176.56 3kow s ARG 295 N -2.63 3.65 -0.19 -0.62 1.81 -0.90 -4.98 118.95 115.09 3kow s ARG 295 Ca 0.45 1.98 -0.04 0.00 -1.72 0.00 0.00 55.73 56.40 3kow s ARG 295 Cb -0.12 -2.45 -0.02 0.00 -0.45 0.00 0.00 34.95 31.91 3kow s ARG 295 CO 0.21 -0.70 -0.02 -1.64 -0.68 0.00 0.00 175.30 172.47 3kow s MET 296 N -2.64 3.61 -0.47 3.54 -1.94 -1.26 -2.50 119.30 117.65 3kow s MET 296 Ca 0.64 -0.53 -0.09 0.00 -1.71 0.00 0.00 55.69 54.00 3kow s MET 296 Cb -0.34 -3.02 0.12 0.00 2.01 0.00 0.00 34.83 33.61 3kow s MET 296 CO 0.41 0.07 0.33 0.50 -0.01 0.00 0.00 175.02 176.33 3kow s ARG 297 N 0.83 2.43 -0.11 2.03 3.52 0.61 -1.25 118.95 127.01 3kow s ARG 297 Ca -0.00 -1.77 -0.30 0.00 -0.13 0.00 0.00 55.73 53.53 3kow s ARG 297 Cb -0.14 -3.90 -0.03 0.00 -1.56 0.00 0.00 34.95 29.32 3kow s ARG 297 CO 0.02 -1.18 1.36 0.00 -0.81 0.00 0.00 175.30 174.69 3kow s ALA 298 N 1.34 3.63 0.07 6.12 0.00 -0.83 -1.51 121.76 130.58 3kow s ALA 298 Ca 0.06 0.63 0.07 0.00 0.00 0.00 0.00 51.96 52.72 3kow s ALA 298 Cb -0.26 -3.64 -0.04 0.00 0.00 0.00 0.00 23.12 19.19 3kow s ALA 298 CO -0.01 -1.16 -0.14 -1.14 0.00 0.00 0.00 175.76 173.31 3kow s GLN 299 N 3.39 2.09 0.75 0.00 2.00 -1.03 -0.87 119.66 125.99 3kow s GLN 299 Ca 0.60 -1.00 -0.10 0.00 -2.00 0.00 0.00 55.36 52.86 3kow s GLN 299 Cb -0.26 -2.25 0.07 0.00 0.80 0.00 0.00 33.01 31.37 3kow s GLN 299 CO 0.20 0.53 1.10 -1.64 -0.50 0.00 0.00 175.29 174.97 3kow s MET 300 N -1.82 2.13 0.47 1.67 -1.94 -1.25 -4.01 119.30 114.54 3kow s MET 300 Ca 0.18 -0.03 -0.20 0.00 -1.71 0.00 0.00 55.69 53.93 3kow s MET 300 Cb -0.11 -2.05 -0.10 0.00 2.01 0.00 0.00 34.83 34.58 3kow s MET 300 CO 0.09 -1.40 0.98 1.21 -0.01 0.00 0.00 175.02 175.89 3kow s ASN 301 N -4.54 6.70 0.00 3.03 2.47 -1.26 -4.91 114.94 116.44 3kow s ASN 301 Ca 0.61 1.72 0.00 0.00 0.42 0.00 0.00 52.86 55.61 3kow s ASN 301 Cb -0.11 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.15 3kow s ASN 301 CO 0.47 -0.53 0.00 0.35 -3.72 0.00 0.00 177.10 173.67 3kow n THR 302 N -0.95 0.00 -0.14 -5.21 -2.24 -1.26 -4.90 114.28 99.58 3kow n THR 302 Ca 0.07 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.74 3kow n THR 302 Cb 0.54 0.22 -0.01 0.00 -2.10 0.00 0.00 70.33 68.97 3kow n THR 302 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3kow h LYS 303 N 0.00 0.84 -2.39 -0.78 3.64 -1.93 -3.28 116.57 112.67 3kow h LYS 303 Ca 0.00 -0.34 -0.71 0.00 -1.27 0.00 0.00 60.65 58.33 3kow h LYS 303 Cb 0.00 -0.04 -0.34 0.00 -0.41 0.00 0.00 32.23 31.44 3kow h LYS 303 CO 0.00 0.98 0.24 0.66 -2.27 0.00 0.00 179.45 179.05 3kow n TYR 304 N -4.26 3.18 -4.26 1.91 4.01 -1.26 -4.96 117.16 111.52 3kow n TYR 304 Ca -0.01 -3.24 -0.25 0.00 -0.16 0.00 0.00 57.90 54.24 3kow n TYR 304 Cb 0.40 -0.90 -0.17 0.00 -0.31 0.00 0.00 39.34 38.36 3kow n TYR 304 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 3kow s MET 305 N -3.47 1.47 0.00 -0.72 1.75 -1.24 -4.87 119.30 112.22 3kow s MET 305 Ca 0.40 -0.29 0.00 0.00 -1.25 0.00 0.00 55.69 54.55 3kow s MET 305 Cb 0.18 -1.37 0.00 0.00 2.84 0.00 0.00 34.83 36.48 3kow s MET 305 CO -0.06 -0.10 0.00 0.39 -0.65 0.00 0.00 175.02 174.59 3kow n GLU 306 N 4.29 3.58 -0.06 4.11 -0.58 -1.26 -4.82 120.64 125.89 3kow n GLU 306 Ca -0.19 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.67 3kow n GLU 306 Cb 0.51 0.00 0.36 0.00 -0.57 0.00 0.00 31.44 31.74 3kow n GLU 306 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kow n ALA 307 N -3.00 2.51 -2.71 0.62 0.00 -1.26 -4.24 120.51 112.43 3kow n ALA 307 Ca 0.00 -0.59 -0.38 0.00 0.00 0.00 0.00 53.44 52.47 3kow n ALA 307 Cb 0.00 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.35 3kow n ALA 307 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kow s SER 308 N -1.75 6.65 0.40 0.00 0.15 -1.26 -4.74 113.70 113.14 3kow s SER 308 Ca 0.34 0.77 0.21 0.00 0.70 0.00 0.00 55.95 57.98 3kow s SER 308 Cb 0.20 -2.28 0.31 0.00 -1.71 0.00 0.00 66.02 62.53 3kow s SER 308 CO 0.30 -0.03 1.58 0.71 1.20 0.00 0.00 173.24 177.00 3kow h THR 309 N 4.80 0.25 -0.08 6.45 1.35 -1.90 -2.60 112.91 121.19 3kow h THR 309 Ca -0.40 -1.33 -0.23 0.00 -0.55 0.00 0.00 66.41 63.90 3kow h THR 309 Cb 1.17 2.10 0.01 0.00 -1.73 0.00 0.00 68.15 69.70 3kow h THR 309 CO 0.75 0.14 -0.87 -0.09 -0.25 0.00 0.00 175.52 175.20 3kow h ARG 310 N 0.00 0.67 -0.26 4.72 2.43 -1.92 -2.22 114.38 117.80 3kow h ARG 310 Ca -0.00 -0.61 -0.04 0.00 -0.81 0.00 0.00 59.98 58.51 3kow h ARG 310 Cb 1.09 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 3kow h ARG 310 CO 0.02 1.22 -0.01 1.49 -1.51 0.00 0.00 179.97 181.18 3kow h GLU 311 N 0.42 0.47 -0.30 0.20 4.81 -1.97 -2.83 114.58 115.39 3kow h GLU 311 Ca -0.08 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 58.93 3kow h GLU 311 Cb 1.50 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.82 3kow h GLU 311 CO 0.17 0.65 -0.09 0.00 -0.73 0.00 0.00 179.01 179.00 3kow h ALA 312 N 0.81 1.28 0.00 2.92 0.00 -1.49 -2.45 119.26 120.34 3kow h ALA 312 Ca 0.07 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3kow h ALA 312 Cb 0.44 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3kow h ALA 312 CO 0.02 0.48 -0.00 1.15 0.00 0.00 0.00 179.25 180.89 3kow h THR 313 N 0.47 1.32 -0.49 0.00 2.02 -1.40 -2.29 112.91 112.53 3kow h THR 313 Ca 0.09 -0.95 0.08 0.00 0.77 0.00 0.00 66.41 66.41 3kow h THR 313 Cb 0.45 1.96 -0.07 0.00 -1.74 0.00 0.00 68.15 68.74 3kow h THR 313 CO 0.02 0.24 0.09 0.58 0.37 0.00 0.00 175.52 176.83 3kow h VAL 314 N -0.41 0.71 -0.52 3.16 2.07 -1.38 -0.70 116.25 119.19 3kow h VAL 314 Ca -0.00 -0.08 0.08 0.00 0.82 0.00 0.00 66.70 67.52 3kow h VAL 314 Cb 0.40 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3kow h VAL 314 CO 0.00 0.04 0.35 0.74 0.02 0.00 0.00 177.57 178.72 3kow h THR 315 N 0.22 0.93 0.01 2.57 2.02 -1.39 -2.50 112.91 114.77 3kow h THR 315 Ca 0.25 -0.13 -0.19 0.00 0.77 0.00 0.00 66.41 67.11 3kow h THR 315 Cb 0.34 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3kow h THR 315 CO -0.33 0.07 -0.90 0.45 0.37 0.00 0.00 175.52 175.18 3kow h HIS 316 N 0.38 0.05 -0.38 3.16 3.86 -0.56 -0.31 115.15 121.35 3kow h HIS 316 Ca 0.23 -0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.30 3kow h HIS 316 Cb 0.43 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 3kow h HIS 316 CO -0.00 0.91 -0.22 0.28 0.86 0.00 0.00 177.93 179.76 3kow h VAL 317 N 0.01 1.27 0.26 2.45 2.07 -0.90 0.12 116.25 121.54 3kow h VAL 317 Ca -0.02 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.17 3kow h VAL 317 Cb 1.58 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 3kow h VAL 317 CO 0.12 0.44 -0.13 -0.07 0.02 0.00 0.00 177.57 177.95 3kow h LEU 318 N 0.65 -0.30 -1.12 2.57 3.38 -1.27 -0.24 115.31 118.98 3kow h LEU 318 Ca 0.09 -0.11 0.37 0.00 0.09 0.00 0.00 57.88 58.32 3kow h LEU 318 Cb 0.72 0.08 -0.15 0.00 0.09 0.00 0.00 40.66 41.40 3kow h LEU 318 CO 0.06 -0.07 0.64 0.78 0.09 0.00 0.00 178.44 179.94 3kow h ASN 319 N -0.53 0.40 1.09 -0.43 -0.26 -0.85 0.31 115.58 115.30 3kow h ASN 319 Ca -0.04 0.19 -0.13 0.00 -0.56 0.00 0.00 56.30 55.77 3kow h ASN 319 Cb 0.39 0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.80 3kow h ASN 319 CO 0.06 -0.21 -0.60 -0.07 -1.06 0.00 0.00 177.43 175.55 3kow h LEU 320 N 0.19 0.00 -0.51 1.61 3.38 -0.15 -2.80 115.31 117.03 3kow h LEU 320 Ca 0.78 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.58 3kow h LEU 320 Cb 2.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.78 3kow h LEU 320 CO -0.59 0.60 -0.64 0.25 0.09 0.00 0.00 178.44 178.15 3kow h LEU 321 N 0.00 0.45 0.56 1.67 5.85 0.13 -1.53 115.31 122.44 3kow h LEU 321 Ca -0.01 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 3kow h LEU 321 Cb 1.31 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3kow h LEU 321 CO 0.08 0.97 -0.30 0.40 -0.34 0.00 0.00 178.44 179.25 3kow h ILE 322 N 0.28 0.38 -0.94 4.05 1.08 -1.11 -1.01 117.51 120.25 3kow h ILE 322 Ca -0.01 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.59 3kow h ILE 322 Cb 1.19 0.38 -0.08 0.00 -3.07 0.00 0.00 36.82 35.24 3kow h ILE 322 CO 0.11 0.00 0.60 0.28 -0.69 0.00 0.00 178.15 178.45 3kow h SER 323 N -0.80 0.77 0.61 1.72 0.02 -1.39 -0.60 113.55 113.89 3kow h SER 323 Ca -0.07 0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 60.80 3kow h SER 323 Cb 0.63 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 3kow h SER 323 CO 0.10 0.40 -0.60 0.50 -1.14 0.00 0.00 176.83 176.08 3kow h LYS 324 N 0.82 0.00 0.00 3.45 1.63 -1.07 -2.86 116.57 118.54 3kow h LYS 324 Ca 0.47 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.27 3kow h LYS 324 Cb 0.62 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.25 3kow h LYS 324 CO -0.24 0.60 0.00 1.28 -3.45 0.00 0.00 179.45 177.65 3kow n LEU 325 N -3.81 0.00 0.00 5.20 4.77 -0.27 -4.78 117.00 118.11 3kow n LEU 325 Ca -0.01 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 3kow n LEU 325 Cb 0.61 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3kow n LEU 325 CO 0.42 -0.01 0.00 0.35 -1.33 0.00 0.00 177.39 176.82 3kow n THR 326 N -1.45 0.00 -4.14 -5.08 -2.24 -0.95 -4.92 114.28 95.51 3kow n THR 326 Ca 0.09 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.73 3kow n THR 326 Cb 0.31 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.43 3kow n THR 326 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3kow s ARG 327 N 3.10 0.74 -0.27 -0.78 3.52 -1.13 -5.00 118.95 119.14 3kow s ARG 327 Ca 0.00 -1.04 -0.01 0.00 -0.13 0.00 0.00 55.73 54.55 3kow s ARG 327 Cb 0.00 -0.43 0.15 0.00 -1.56 0.00 0.00 34.95 33.12 3kow s ARG 327 CO 0.00 0.06 0.42 0.00 -0.81 0.00 0.00 175.30 174.98 3kow s ALA 328 N -2.20 -1.32 0.09 6.12 0.00 -1.25 -4.80 121.76 118.39 3kow s ALA 328 Ca 0.01 0.84 -0.09 0.00 0.00 0.00 0.00 51.96 52.73 3kow s ALA 328 Cb -0.04 -1.88 -0.20 0.00 0.00 0.00 0.00 23.12 21.00 3kow s ALA 328 CO -0.00 -1.43 1.20 -0.44 0.00 0.00 0.00 175.76 175.09 3kow h ASP 329 N 8.15 0.67 -3.37 0.00 3.32 -1.56 -3.40 116.42 120.23 3kow h ASP 329 Ca -0.16 -0.59 -0.63 0.00 0.02 0.00 0.00 57.03 55.67 3kow h ASP 329 Cb 1.15 -0.21 -0.19 0.00 0.22 0.00 0.00 39.33 40.30 3kow h ASP 329 CO 0.26 1.40 -0.82 -0.63 -1.72 0.00 0.00 179.24 177.74 3kow s ILE 330 N -3.09 2.21 -0.26 0.35 1.01 -0.89 -1.96 121.20 118.57 3kow s ILE 330 Ca -0.07 -1.96 -0.03 0.00 0.00 0.00 0.00 60.65 58.58 3kow s ILE 330 Cb 0.07 -2.03 0.10 0.00 0.01 0.00 0.00 42.46 40.61 3kow s ILE 330 CO 0.90 -0.13 0.17 -1.58 0.00 0.00 0.00 174.94 174.29 3kow s GLN 331 N -2.60 0.19 0.58 2.79 2.00 0.21 -1.97 119.66 120.86 3kow s GLN 331 Ca 0.18 -0.30 -0.10 0.00 -2.00 0.00 0.00 55.36 53.15 3kow s GLN 331 Cb -0.08 -1.18 -0.04 0.00 0.80 0.00 0.00 33.01 32.51 3kow s GLN 331 CO 0.09 -0.92 0.97 -1.12 -0.50 0.00 0.00 175.29 173.80 3kow s SER 332 N 2.18 6.25 0.27 6.67 0.01 -0.05 -1.29 113.70 127.75 3kow s SER 332 Ca 0.08 1.31 0.06 0.00 1.31 0.00 0.00 55.95 58.70 3kow s SER 332 Cb -0.16 -2.42 -0.06 0.00 0.21 0.00 0.00 66.02 63.60 3kow s SER 332 CO -0.29 -0.79 -0.04 0.42 0.41 0.00 0.00 173.24 172.95 3kow s THR 333 N -3.05 1.49 0.03 1.44 -4.23 -1.19 -3.86 115.64 106.28 3kow s THR 333 Ca 0.53 -2.10 0.07 0.00 -1.18 0.00 0.00 61.69 59.01 3kow s THR 333 Cb -0.11 -2.44 -0.02 0.00 1.34 0.00 0.00 72.50 71.27 3kow s THR 333 CO 0.51 -0.29 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.47 3kow s ILE 334 N -3.11 1.57 0.43 2.99 -1.09 -1.26 -4.69 121.20 116.03 3kow s ILE 334 Ca 0.29 -1.09 -0.25 0.00 -2.23 0.00 0.00 60.65 57.38 3kow s ILE 334 Cb 0.04 -1.36 -0.08 0.00 -1.58 0.00 0.00 42.46 39.49 3kow s ILE 334 CO 0.11 0.23 1.21 0.42 -1.23 0.00 0.00 174.94 175.69 3kow s THR 335 N -0.72 2.94 -0.77 2.92 -4.23 -1.26 -4.74 115.64 109.76 3kow s THR 335 Ca 0.07 0.77 0.22 0.00 -1.18 0.00 0.00 61.69 61.57 3kow s THR 335 Cb -0.08 -3.43 0.21 0.00 1.34 0.00 0.00 72.50 70.54 3kow s THR 335 CO 0.01 0.06 1.67 -2.65 -0.54 0.00 0.00 174.62 173.17 3kow n PRO 336 N -0.12 0.11 -0.04 3.99 -0.02 -1.26 -1.88 135.00 135.78 3kow n PRO 336 Ca 0.05 0.27 0.12 0.00 -2.02 0.00 0.00 63.50 61.92 3kow n PRO 336 Cb 0.46 -1.68 0.49 0.00 -0.02 0.00 0.00 33.50 32.75 3kow n PRO 336 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3kow n ASP 337 N -1.89 1.31 -0.18 2.55 5.75 -1.26 -4.23 116.55 118.60 3kow n ASP 337 Ca 0.04 -1.55 0.11 0.00 -0.01 0.00 0.00 54.79 53.38 3kow n ASP 337 Cb 0.26 -0.05 0.42 0.00 -1.03 0.00 0.00 41.12 40.72 3kow n ASP 337 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3kow h GLU 338 N 1.87 0.58 -0.01 0.11 4.22 -1.61 0.10 114.58 119.83 3kow h GLU 338 Ca 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.41 3kow h GLU 338 Cb 0.40 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3kow h GLU 338 CO 0.00 0.38 -0.23 0.41 -2.18 0.00 0.00 179.01 177.39 3kow n GLY 339 N -1.48 -0.22 0.03 1.92 0.00 -1.26 -4.07 105.19 100.11 3kow n GLY 339 Ca 0.13 -0.49 0.04 0.00 0.00 0.00 0.00 46.02 45.70 3kow n GLY 339 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3kow n ARG 340 N -0.19 0.73 -3.02 1.61 0.63 0.24 -4.40 116.66 112.27 3kow n ARG 340 Ca 0.13 -0.12 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 3kow n ARG 340 Cb 0.40 -1.47 0.00 0.00 0.45 0.00 0.00 32.46 31.84 3kow n ARG 340 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3kow n ASN 341 N -2.34 0.00 -4.72 6.15 2.04 -0.53 -4.96 115.26 110.90 3kow n ASN 341 Ca -0.12 0.00 -0.40 0.00 -0.44 0.00 0.00 54.58 53.62 3kow n ASN 341 Cb 0.70 0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 37.90 3kow n ASN 341 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 3kow s VAL 342 N -3.00 4.96 0.15 3.53 1.01 -1.26 -4.55 120.40 121.23 3kow s VAL 342 Ca 0.00 1.60 -0.33 0.00 0.00 0.00 0.00 61.98 63.24 3kow s VAL 342 Cb 0.00 -4.11 -0.17 0.00 0.00 0.00 0.00 36.38 32.11 3kow s VAL 342 CO 0.00 0.25 1.06 -2.65 0.00 0.00 0.00 175.10 173.76 3kow n PRO 343 N 3.63 0.81 -3.85 2.72 -0.02 -1.26 -4.98 135.00 132.05 3kow n PRO 343 Ca -0.00 0.29 -0.21 0.00 -2.02 0.00 0.00 63.50 61.56 3kow n PRO 343 Cb 0.51 -1.72 -0.04 0.00 -0.02 0.00 0.00 33.50 32.24 3kow n PRO 343 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3kow s TRP 344 N -0.27 2.96 0.17 6.00 0.52 -1.26 -4.87 118.94 122.18 3kow s TRP 344 Ca 0.75 -0.26 -0.15 0.00 0.02 0.00 0.00 56.10 56.46 3kow s TRP 344 Cb -0.93 -1.73 0.13 0.00 -1.15 0.00 0.00 33.47 29.78 3kow s TRP 344 CO 0.54 0.24 1.70 0.45 0.02 0.00 0.00 176.95 179.89 3kow h HIS 345 N 1.27 0.01 0.00 -1.98 3.86 -1.59 -2.63 115.15 114.10 3kow h HIS 345 Ca -0.46 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 3kow h HIS 345 Cb 1.25 0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.78 3kow h HIS 345 CO 0.53 -0.07 0.00 -0.84 0.86 0.00 0.00 177.93 178.41 3kow h ILE 346 N 0.13 0.00 -0.01 2.45 3.07 -1.96 -1.55 117.51 119.65 3kow h ILE 346 Ca 0.21 -0.49 0.00 0.00 1.55 0.00 0.00 64.86 66.13 3kow h ILE 346 Cb 0.29 1.43 0.00 0.00 -0.27 0.00 0.00 36.82 38.28 3kow h ILE 346 CO -0.33 0.00 -0.69 -1.22 -1.05 0.00 0.00 178.15 174.85 3kow n TYR 347 N -2.90 0.00 0.08 0.16 4.01 -1.04 -1.91 117.16 115.56 3kow n TYR 347 Ca 0.01 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.61 3kow n TYR 347 Cb 0.31 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.20 3kow n TYR 347 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 3kow h ASN 348 N 1.37 0.33 0.04 7.72 4.21 -0.95 -2.95 115.58 125.37 3kow h ASN 348 Ca 0.00 -0.39 -0.27 0.00 1.21 0.00 0.00 56.30 56.85 3kow h ASN 348 Cb 0.64 -0.11 0.02 0.00 -1.12 0.00 0.00 38.32 37.75 3kow h ASN 348 CO 0.00 1.31 -1.09 0.40 -1.29 0.00 0.00 177.43 176.76 3kow h ILE 349 N 0.06 1.29 -0.61 2.81 5.03 -1.53 -2.72 117.51 121.84 3kow h ILE 349 Ca -0.15 -2.31 0.13 0.00 -0.12 0.00 0.00 64.86 62.40 3kow h ILE 349 Cb 1.95 2.51 -0.11 0.00 -3.03 0.00 0.00 36.82 38.14 3kow h ILE 349 CO 0.18 0.71 -0.08 -0.33 -0.68 0.00 0.00 178.15 177.95 3kow h GLU 350 N 0.32 0.05 -0.48 2.37 5.08 -1.48 -1.11 114.58 119.33 3kow h GLU 350 Ca -0.15 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 3kow h GLU 350 Cb 1.76 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.98 3kow h GLU 350 CO 0.21 0.03 0.10 0.00 -1.00 0.00 0.00 179.01 178.36 3kow h ALA 351 N 1.58 1.28 0.24 3.43 0.00 -1.37 0.35 119.26 124.77 3kow h ALA 351 Ca 0.30 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3kow h ALA 351 Cb 0.48 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3kow h ALA 351 CO -0.58 0.50 -0.12 0.00 0.00 0.00 0.00 179.25 179.06 3kow h ASP 353 N -0.34 0.33 -0.16 0.00 3.32 -1.01 0.23 116.42 118.79 3kow h ASP 353 Ca -0.03 0.11 -0.17 0.00 0.02 0.00 0.00 57.03 56.96 3kow h ASP 353 Cb 0.25 0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.88 3kow h ASP 353 CO 0.05 -0.06 -0.55 0.74 -1.72 0.00 0.00 179.24 177.71 3kow h THR 354 N 0.22 1.32 -0.27 0.35 2.02 -0.95 0.13 112.91 115.73 3kow h THR 354 Ca 0.72 -1.80 -0.04 0.00 0.77 0.00 0.00 66.41 66.06 3kow h THR 354 Cb 2.09 2.00 -0.01 0.00 -1.74 0.00 0.00 68.15 70.49 3kow h THR 354 CO -0.36 0.56 0.02 0.00 0.37 0.00 0.00 175.52 176.11 3kow h ALA 355 N 0.55 0.37 -0.23 6.16 0.00 0.09 -1.77 119.26 124.42 3kow h ALA 355 Ca -0.02 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 3kow h ALA 355 Cb 1.17 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3kow h ALA 355 CO 0.12 0.08 -0.33 -0.22 0.00 0.00 0.00 179.25 178.90 3kow h LYS 356 N 0.27 0.64 -0.02 0.00 3.64 -0.72 -2.52 116.57 117.85 3kow h LYS 356 Ca 0.08 -0.37 -0.08 0.00 -1.27 0.00 0.00 60.65 59.01 3kow h LYS 356 Cb 0.38 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 3kow h LYS 356 CO 0.01 0.98 -0.37 0.37 -2.27 0.00 0.00 179.45 178.18 3kow h GLN 357 N 0.34 0.04 0.02 1.90 4.15 -0.77 -1.61 115.11 119.19 3kow h GLN 357 Ca 0.02 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 3kow h GLN 357 Cb 0.92 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.60 3kow h GLN 357 CO 0.08 0.41 -0.01 0.00 -1.93 0.00 0.00 178.83 177.38 3kow h ALA 358 N 1.59 -0.03 -0.68 3.38 0.00 -1.25 -2.40 119.26 119.87 3kow h ALA 358 Ca 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3kow h ALA 358 Cb 0.67 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3kow h ALA 358 CO 0.05 -0.15 0.34 -0.07 0.00 0.00 0.00 179.25 179.42 3kow h LEU 359 N -0.77 0.85 0.46 0.00 3.38 -1.49 -1.57 115.31 116.18 3kow h LEU 359 Ca -0.00 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3kow h LEU 359 Cb 0.70 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3kow h LEU 359 CO 0.00 0.71 -0.22 0.40 0.09 0.00 0.00 178.44 179.43 3kow h ILE 360 N 0.95 0.00 -0.27 1.22 1.08 -1.38 -2.27 117.51 116.85 3kow h ILE 360 Ca 0.24 -0.03 0.08 0.00 -0.39 0.00 0.00 64.86 64.75 3kow h ILE 360 Cb 0.07 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 33.77 3kow h ILE 360 CO -0.03 0.00 0.02 0.61 -0.69 0.00 0.00 178.15 178.05 3kow n GLY 361 N -1.12 -0.35 1.83 5.37 0.00 -0.90 0.79 105.19 110.80 3kow n GLY 361 Ca -0.08 0.26 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 3kow n GLY 361 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3kow n MET 362 N -4.11 3.08 -1.62 1.61 2.81 -0.61 -4.98 117.12 113.30 3kow n MET 362 Ca 0.07 -2.51 -0.47 0.00 -1.81 0.00 0.00 57.70 52.98 3kow n MET 362 Cb 0.22 -2.04 -0.03 0.00 -0.71 0.00 0.00 33.22 30.65 3kow n MET 362 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3kow n ASP 363 N -0.18 1.96 -3.31 7.83 2.03 0.24 -1.78 116.55 123.33 3kow n ASP 363 Ca 0.36 1.14 -0.22 0.00 0.52 0.00 0.00 54.79 56.59 3kow n ASP 363 Cb 1.25 -1.31 -0.01 0.00 -0.72 0.00 0.00 41.12 40.34 3kow n ASP 363 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kow n GLY 364 N 2.08 -0.48 0.29 0.27 0.00 -1.26 -4.85 105.19 101.23 3kow n GLY 364 Ca 0.13 0.08 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 3kow n GLY 364 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kow h LEU 365 N -0.88 1.03 0.00 0.99 5.85 -1.73 -3.05 115.31 117.51 3kow h LEU 365 Ca -0.41 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 57.95 3kow h LEU 365 Cb 1.28 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.03 3kow h LEU 365 CO 0.51 1.15 0.00 0.23 -0.34 0.00 0.00 178.44 180.00 3kow n MET 366 N -4.15 0.82 0.08 1.25 2.81 -1.26 -1.54 117.12 115.14 3kow n MET 366 Ca 0.01 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.96 3kow n MET 366 Cb 0.41 -1.15 -0.02 0.00 -0.71 0.00 0.00 33.22 31.75 3kow n MET 366 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3kow h ASP 367 N 0.00 0.00 0.00 7.83 5.19 -1.92 -3.39 116.42 124.13 3kow h ASP 367 Ca 0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 3kow h ASP 367 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 3kow h ASP 367 CO 0.00 0.27 -1.70 0.23 -3.12 0.00 0.00 179.24 174.92 3kow n MET 368 N -2.82 0.64 -4.80 3.56 2.81 -0.60 -5.00 117.12 110.91 3kow n MET 368 Ca -0.04 -0.11 -0.27 0.00 -1.81 0.00 0.00 57.70 55.47 3kow n MET 368 Cb 0.68 -1.34 -0.15 0.00 -0.71 0.00 0.00 33.22 31.70 3kow n MET 368 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3kow s VAL 369 N -2.90 1.76 0.05 2.03 1.01 -0.59 -5.15 120.40 116.62 3kow s VAL 369 Ca -0.05 -1.16 -0.03 0.00 0.00 0.00 0.00 61.98 60.74 3kow s VAL 369 Cb 0.08 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 3kow s VAL 369 CO 0.59 0.31 0.02 0.00 0.00 0.00 0.00 175.10 176.02 3kow s GLN 370 N -1.01 0.63 -0.04 2.72 -2.07 -1.26 -4.48 119.66 114.15 3kow s GLN 370 Ca 0.08 -1.08 -0.30 0.00 -1.82 0.00 0.00 55.36 52.25 3kow s GLN 370 Cb -0.09 0.23 -0.04 0.00 -1.09 0.00 0.00 33.01 32.02 3kow s GLN 370 CO 0.01 -0.14 1.22 -0.51 -1.32 0.00 0.00 175.29 174.55 3kow s LEU 371 N -2.72 4.29 -0.93 2.60 1.43 -1.26 -4.89 118.68 117.20 3kow s LEU 371 Ca 0.04 1.86 -0.09 0.00 -1.03 0.00 0.00 54.13 54.91 3kow s LEU 371 Cb 0.05 -3.56 -0.07 0.00 0.03 0.00 0.00 46.19 42.64 3kow s LEU 371 CO -0.09 -0.59 2.11 0.29 0.23 0.00 0.00 176.35 178.31 3kow n LYS 372 N 5.12 2.07 -0.17 1.70 5.02 -1.26 -4.66 118.16 125.98 3kow n LYS 372 Ca 0.11 -1.57 0.29 0.00 -2.02 0.00 0.00 58.31 55.11 3kow n LYS 372 Cb 0.46 -2.56 0.73 0.00 -0.02 0.00 0.00 35.03 33.64 3kow n LYS 372 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3kow h ARG 373 N 6.52 0.00 -5.00 1.97 9.65 -1.98 -3.33 114.38 122.20 3kow h ARG 373 Ca 0.50 0.00 -0.64 0.00 -1.10 0.00 0.00 59.98 58.74 3kow h ARG 373 Cb 0.26 0.00 -0.16 0.00 -1.39 0.00 0.00 29.97 28.68 3kow h ARG 373 CO 1.55 0.00 -0.35 -1.21 2.80 0.00 0.00 179.97 182.76 3kow s GLU 374 N -4.92 3.87 0.00 0.20 0.41 -1.26 -2.03 118.70 114.96 3kow s GLU 374 Ca -0.05 -0.22 0.00 0.00 -0.41 0.00 0.00 54.97 54.30 3kow s GLU 374 Cb 0.21 -3.70 0.00 0.00 -1.78 0.00 0.00 34.13 28.86 3kow s GLU 374 CO 0.75 -0.31 0.00 0.41 -0.49 0.00 0.00 175.26 175.62 3kow n GLY 375 N 4.89 0.61 0.25 -1.39 0.00 -1.25 -4.84 105.19 103.46 3kow n GLY 375 Ca -0.11 -1.48 0.11 0.00 0.00 0.00 0.00 46.02 44.54 3kow n GLY 375 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3kow h VAL 376 N 0.00 0.68 0.23 1.61 3.04 -1.91 -2.43 116.25 117.48 3kow h VAL 376 Ca 0.00 -0.67 -0.01 0.00 -1.01 0.00 0.00 66.70 65.00 3kow h VAL 376 Cb 0.00 1.42 0.00 0.00 -2.01 0.00 0.00 31.29 30.70 3kow h VAL 376 CO 0.00 0.16 -0.11 0.25 -1.01 0.00 0.00 177.57 176.86 3kow h LEU 377 N 0.00 -0.26 -0.85 3.16 5.85 -1.84 -2.42 115.31 118.96 3kow h LEU 377 Ca -0.00 -0.21 0.13 0.00 0.84 0.00 0.00 57.88 58.64 3kow h LEU 377 Cb 0.41 0.07 -0.09 0.00 0.37 0.00 0.00 40.66 41.42 3kow h LEU 377 CO 0.02 0.09 0.45 1.23 -0.34 0.00 0.00 178.44 179.89 3kow h GLY 378 N -0.65 1.36 0.66 3.75 0.00 -0.92 0.16 103.07 107.43 3kow h GLY 378 Ca -0.03 -0.27 -0.08 0.00 0.00 0.00 0.00 47.33 46.95 3kow h GLY 378 CO 0.05 0.00 -0.25 -0.55 0.00 0.00 0.00 176.54 175.80 3kow h ASP 379 N 0.67 0.35 -0.76 0.19 3.32 -1.50 -2.01 116.42 116.68 3kow h ASP 379 Ca 0.45 -0.62 0.06 0.00 0.02 0.00 0.00 57.03 56.95 3kow h ASP 379 Cb 0.58 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.97 3kow h ASP 379 CO -0.33 0.91 0.45 0.74 -1.72 0.00 0.00 179.24 179.28 3kow h THR 380 N -0.18 0.99 -0.04 0.35 2.02 -1.18 -1.46 112.91 113.41 3kow h THR 380 Ca -0.01 -0.28 0.02 0.00 0.77 0.00 0.00 66.41 66.91 3kow h THR 380 Cb 0.88 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 3kow h THR 380 CO 0.05 0.15 -0.08 0.58 0.37 0.00 0.00 175.52 176.59 3kow h VAL 381 N 0.81 0.79 -0.28 3.16 2.07 -0.88 -1.68 116.25 120.24 3kow h VAL 381 Ca 0.34 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.92 3kow h VAL 381 Cb 0.20 0.79 -0.08 0.00 -1.52 0.00 0.00 31.29 30.68 3kow h VAL 381 CO -0.19 0.00 -0.32 -0.09 0.02 0.00 0.00 177.57 177.00 3kow h ARG 382 N -0.12 -0.30 -0.55 1.57 9.65 -1.01 -2.46 114.38 121.16 3kow h ARG 382 Ca 0.04 0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.93 3kow h ARG 382 Cb 0.18 0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.80 3kow h ARG 382 CO -0.11 -0.20 0.27 1.49 2.80 0.00 0.00 179.97 184.23 3kow h GLU 383 N -0.31 0.78 -0.05 0.20 4.22 -0.87 -0.94 114.58 117.60 3kow h GLU 383 Ca 0.14 -0.11 0.04 0.00 0.08 0.00 0.00 59.36 59.50 3kow h GLU 383 Cb 0.53 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.58 3kow h GLU 383 CO -0.45 0.63 -0.40 -0.07 -2.18 0.00 0.00 179.01 176.54 3kow h LEU 384 N 0.74 -1.22 -0.30 1.64 3.38 -1.24 -1.18 115.31 117.12 3kow h LEU 384 Ca 0.19 0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.37 3kow h LEU 384 Cb 0.10 0.49 -0.08 0.00 0.09 0.00 0.00 40.66 41.26 3kow h LEU 384 CO -0.03 -0.43 -0.50 0.11 0.09 0.00 0.00 178.44 177.69 3kow h LYS 385 N -0.52 -0.42 -0.38 1.13 1.57 -0.82 -1.13 116.57 115.99 3kow h LYS 385 Ca 0.06 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 3kow h LYS 385 Cb 0.63 0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.97 3kow h LYS 385 CO -0.34 -0.28 -0.42 0.93 -0.57 0.00 0.00 179.45 178.77 3kow h GLU 386 N -0.44 -0.23 -1.27 3.15 5.08 -1.04 0.11 114.58 119.94 3kow h GLU 386 Ca 0.08 0.02 0.39 0.00 -1.00 0.00 0.00 59.36 58.85 3kow h GLU 386 Cb 0.62 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.81 3kow h GLU 386 CO -0.53 -0.15 0.83 0.00 -1.00 0.00 0.00 179.01 178.16 3kow h ARG 387 N -0.24 0.15 0.02 2.33 3.08 -0.78 0.32 114.38 119.26 3kow h ARG 387 Ca 0.07 -0.01 -0.21 0.00 0.07 0.00 0.00 59.98 59.90 3kow h ARG 387 Cb 0.41 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3kow h ARG 387 CO -0.49 0.10 -0.95 0.00 -1.07 0.00 0.00 179.97 177.56 3kow h ALA 388 N 1.56 0.44 -0.39 0.04 0.00 0.23 -1.44 119.26 119.69 3kow h ALA 388 Ca 0.74 -0.80 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 3kow h ALA 388 Cb 2.32 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 20.00 3kow h ALA 388 CO -0.33 1.04 -0.32 0.28 0.00 0.00 0.00 179.25 179.93 3kow h VAL 389 N 0.05 1.28 0.02 0.00 2.07 0.11 -2.67 116.25 117.10 3kow h VAL 389 Ca -0.04 -1.48 -0.00 0.00 0.82 0.00 0.00 66.70 66.00 3kow h VAL 389 Cb 1.63 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 3kow h VAL 389 CO 0.14 0.49 -0.01 -0.07 0.02 0.00 0.00 177.57 178.14 3kow h LEU 390 N 0.73 -0.02 -0.24 2.57 3.38 -0.73 -1.22 115.31 119.77 3kow h LEU 390 Ca 0.08 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.10 3kow h LEU 390 Cb 0.88 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.56 3kow h LEU 390 CO 0.08 -0.01 -0.31 0.15 0.09 0.00 0.00 178.44 178.44 3kow h PHE 391 N -0.04 -0.86 -0.79 1.13 -0.00 -1.24 -1.12 116.94 114.03 3kow h PHE 391 Ca -0.00 0.04 0.16 0.00 -0.00 0.00 0.00 57.97 58.17 3kow h PHE 391 Cb 0.03 0.41 -0.10 0.00 -0.00 0.00 0.00 35.95 36.29 3kow h PHE 391 CO -0.07 -0.38 0.32 0.52 -0.00 0.00 0.00 178.31 178.70 3kow h MET 392 N -0.32 0.43 -0.15 1.11 2.86 -1.32 -2.04 114.93 115.50 3kow h MET 392 Ca 0.13 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3kow h MET 392 Cb 0.53 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 3kow h MET 392 CO -0.42 0.29 0.08 0.93 1.06 0.00 0.00 176.91 178.85 3kow h GLU 393 N 0.45 0.22 -0.69 1.72 5.08 -0.12 -2.27 114.58 118.96 3kow h GLU 393 Ca 0.44 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.86 3kow h GLU 393 Cb 0.70 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.87 3kow h GLU 393 CO -0.43 0.24 0.46 1.49 -1.00 0.00 0.00 179.01 179.77 3kow h GLU 394 N 0.14 0.59 -0.64 2.33 4.81 -0.82 0.23 114.58 121.23 3kow h GLU 394 Ca 0.05 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 3kow h GLU 394 Cb 0.09 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 3kow h GLU 394 CO -0.01 0.39 0.08 0.82 -0.73 0.00 0.00 179.01 179.56 3kow h ILE 395 N 0.61 1.26 -0.33 2.32 2.04 -0.83 -2.16 117.51 120.43 3kow h ILE 395 Ca 0.31 -1.07 -0.15 0.00 1.00 0.00 0.00 64.86 64.95 3kow h ILE 395 Cb 0.42 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 3kow h ILE 395 CO -0.10 0.40 -0.41 0.40 0.00 0.00 0.00 178.15 178.43 3kow h ILE 396 N 0.99 1.28 -0.40 -0.67 2.04 -0.86 -1.96 117.51 117.94 3kow h ILE 396 Ca 0.19 -1.59 0.02 0.00 1.00 0.00 0.00 64.86 64.49 3kow h ILE 396 Cb 0.47 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 3kow h ILE 396 CO 0.02 0.52 0.22 -0.08 0.00 0.00 0.00 178.15 178.83 3kow h GLU 397 N 0.65 0.43 0.00 2.37 4.81 -0.16 -1.36 114.58 121.32 3kow h GLU 397 Ca 0.05 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3kow h GLU 397 Cb 0.97 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.26 3kow h GLU 397 CO 0.09 0.29 0.00 0.00 -0.73 0.00 0.00 179.01 178.66 3kow n ALA 398 N -2.26 2.58 0.00 2.92 0.00 -0.85 -4.87 120.51 118.03 3kow n ALA 398 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3kow n ALA 398 Cb 0.07 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.17 3kow n ALA 398 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kow n GLY 399 N 0.77 1.81 0.00 0.00 0.00 -0.51 -4.64 105.19 102.62 3kow n GLY 399 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3kow n GLY 399 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kow n GLY 400 N -0.73 1.45 0.36 -0.02 0.00 -0.74 -4.55 105.19 100.97 3kow n GLY 400 Ca 0.00 -2.01 -0.14 0.00 0.00 0.00 0.00 46.02 43.87 3kow n GLY 400 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3kow h TYR 401 N 0.00 -0.95 -0.57 1.61 3.20 -1.96 -0.94 116.97 117.35 3kow h TYR 401 Ca 0.00 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.00 3kow h TYR 401 Cb 0.00 0.39 -0.11 0.00 1.54 0.00 0.00 36.73 38.55 3kow h TYR 401 CO 0.00 -0.47 -0.25 0.74 -1.64 0.00 0.00 178.16 176.55 3kow h PHE 402 N -0.63 -0.63 -0.13 -3.82 0.04 -1.95 0.37 116.94 110.20 3kow h PHE 402 Ca 0.01 0.06 0.04 0.00 2.80 0.00 0.00 57.97 60.89 3kow h PHE 402 Cb 0.62 0.36 -0.05 0.00 2.20 0.00 0.00 35.95 39.08 3kow h PHE 402 CO -0.27 -0.33 -0.19 -0.91 -0.60 0.00 0.00 178.31 176.01 3kow h ASN 403 N -0.10 -0.59 -0.51 2.17 2.35 -1.68 -0.55 115.58 116.67 3kow h ASN 403 Ca 0.26 0.10 0.09 0.00 -0.55 0.00 0.00 56.30 56.20 3kow h ASN 403 Cb 0.51 0.27 -0.03 0.00 0.05 0.00 0.00 38.32 39.12 3kow h ASN 403 CO -0.64 -0.24 0.35 0.00 -1.65 0.00 0.00 177.43 175.24 3kow h ALA 404 N 0.77 2.09 -0.25 -0.83 0.00 0.36 -2.19 119.26 119.21 3kow h ALA 404 Ca 0.10 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3kow h ALA 404 Cb 0.39 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3kow h ALA 404 CO -0.27 -0.20 -0.17 0.28 0.00 0.00 0.00 179.25 178.89 3kow h VAL 405 N 0.29 1.31 -0.31 0.00 2.07 0.12 -2.84 116.25 116.89 3kow h VAL 405 Ca 0.23 -1.28 -0.05 0.00 0.82 0.00 0.00 66.70 66.42 3kow h VAL 405 Cb 0.54 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 3kow h VAL 405 CO -0.05 0.40 -0.02 -0.33 0.02 0.00 0.00 177.57 177.59 3kow h GLU 406 N 0.27 0.47 0.00 1.57 5.08 -1.04 -2.53 114.58 118.41 3kow h GLU 406 Ca 0.05 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3kow h GLU 406 Cb 0.69 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3kow h GLU 406 CO 0.05 0.52 0.00 1.04 -1.00 0.00 0.00 179.01 179.62 3kow n GLN 407 N -4.28 0.38 -1.51 2.33 6.02 -0.85 -4.44 117.38 115.02 3kow n GLN 407 Ca 0.01 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 3kow n GLN 407 Cb 0.25 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.01 3kow n GLN 407 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3kow n GLY 408 N 0.90 0.54 0.20 1.08 0.00 -0.96 -4.95 105.19 102.01 3kow n GLY 408 Ca 0.12 -0.83 0.15 0.00 0.00 0.00 0.00 46.02 45.46 3kow n GLY 408 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3kow h PHE 409 N 0.00 0.00 -3.21 1.61 -1.00 -1.76 -3.35 116.94 109.23 3kow h PHE 409 Ca 0.00 0.00 -0.64 0.00 2.81 0.00 0.00 57.97 60.14 3kow h PHE 409 Cb 0.64 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 40.08 3kow h PHE 409 CO 0.00 0.00 -0.67 -0.06 -1.61 0.00 0.00 178.31 175.97 3kow s PHE 410 N -3.60 2.92 -1.41 -0.55 0.08 -1.26 -4.36 117.98 109.79 3kow s PHE 410 Ca -0.00 -0.08 0.00 0.00 0.12 0.00 0.00 56.93 56.97 3kow s PHE 410 Cb 0.09 -1.48 0.00 0.00 -0.57 0.00 0.00 43.02 41.06 3kow s PHE 410 CO 0.36 0.48 0.00 0.28 -0.10 0.00 0.00 175.22 176.24 3kow n VAL 411 N 0.34 -0.37 -2.78 -0.44 0.31 -1.26 -1.55 118.33 112.58 3kow n VAL 411 Ca -0.11 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 63.90 3kow n VAL 411 Cb 0.53 -1.93 -0.05 0.00 -0.91 0.00 0.00 33.84 31.48 3kow n VAL 411 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3kow s ASP 412 N -2.57 6.73 0.00 4.52 2.15 -1.26 -4.51 116.67 121.73 3kow s ASP 412 Ca 0.00 1.45 0.19 0.00 0.43 0.00 0.00 52.55 54.63 3kow s ASP 412 Cb 0.00 -2.45 0.56 0.00 -0.30 0.00 0.00 42.92 40.73 3kow s ASP 412 CO 0.00 -0.40 1.44 -1.54 -0.17 0.00 0.00 175.17 174.51 3kow n SER 413 N -0.97 2.33 -4.94 -0.34 3.41 -1.26 -4.83 113.62 107.01 3kow n SER 413 Ca 0.05 -1.87 -0.24 0.00 -0.26 0.00 0.00 58.87 56.55 3kow n SER 413 Cb 0.54 -0.21 0.02 0.00 -0.26 0.00 0.00 64.21 64.30 3kow n SER 413 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3kow s GLY 414 N -1.35 1.60 -0.88 5.00 0.00 -1.26 -4.81 107.32 105.62 3kow s GLY 414 Ca 0.33 -0.99 -0.13 0.00 0.00 0.00 0.00 44.72 43.94 3kow s GLY 414 CO 0.26 -0.77 0.82 -0.47 0.00 0.00 0.00 173.10 172.94 3kow s TYR 415 N -2.70 3.85 0.16 1.90 5.04 -1.25 -4.63 117.35 119.73 3kow s TYR 415 Ca 0.51 -2.13 -0.28 0.00 -2.44 0.00 0.00 57.07 52.73 3kow s TYR 415 Cb -0.10 -3.81 -0.16 0.00 0.35 0.00 0.00 41.96 38.23 3kow s TYR 415 CO 0.40 -0.98 0.56 0.98 -1.34 0.00 0.00 175.55 175.17 3kow n TYR 416 N 3.73 -0.32 1.40 4.97 9.36 -1.26 -1.74 117.16 133.30 3kow n TYR 416 Ca 0.16 0.93 0.02 0.00 3.32 0.00 0.00 57.90 62.32 3kow n TYR 416 Cb 0.46 -1.87 0.06 0.00 -0.63 0.00 0.00 39.34 37.35 3kow n TYR 416 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3kow n PRO 417 N 1.01 1.36 -2.20 2.98 -0.04 -1.26 -4.95 135.00 131.90 3kow n PRO 417 Ca 0.17 -0.45 -0.41 0.00 -0.04 0.00 0.00 63.50 62.77 3kow n PRO 417 Cb 0.21 -1.22 -0.03 0.00 -0.04 0.00 0.00 33.50 32.43 3kow n PRO 417 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3kow s GLU 418 N -1.71 4.38 -0.12 0.54 2.12 -0.71 -5.02 118.70 118.18 3kow s GLU 418 Ca 0.08 2.07 -0.00 0.00 0.36 0.00 0.00 54.97 57.48 3kow s GLU 418 Cb 0.05 -3.18 0.03 0.00 0.26 0.00 0.00 34.13 31.28 3kow s GLU 418 CO 0.05 -0.25 -0.07 0.50 -0.54 0.00 0.00 175.26 174.95 3kow s ARG 419 N -0.24 1.49 0.00 4.30 3.52 -1.26 -3.87 118.95 122.88 3kow s ARG 419 Ca 0.56 -0.30 0.28 0.00 -0.13 0.00 0.00 55.73 56.14 3kow s ARG 419 Cb -0.37 -1.66 1.11 0.00 -1.56 0.00 0.00 34.95 32.47 3kow s ARG 419 CO 0.39 -0.30 1.78 0.09 -0.81 0.00 0.00 175.30 176.45 3kow n ASN 420 N 4.93 1.37 -2.16 -2.12 3.02 -1.26 -4.93 115.26 114.11 3kow n ASN 420 Ca -0.12 -1.46 -0.20 0.00 -0.03 0.00 0.00 54.58 52.77 3kow n ASN 420 Cb 0.50 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.63 3kow n ASN 420 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kow n GLY 421 N 1.16 0.22 1.98 7.41 0.00 -1.26 -4.86 105.19 109.83 3kow n GLY 421 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 3kow n GLY 421 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kow n ASP 422 N -1.77 5.24 -4.77 1.61 5.68 -1.26 -5.04 116.55 116.24 3kow n ASP 422 Ca -0.22 -3.76 -0.31 0.00 -0.50 0.00 0.00 54.79 50.00 3kow n ASP 422 Cb 0.67 -0.73 0.10 0.00 -1.14 0.00 0.00 41.12 40.02 3kow n ASP 422 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3kow s GLY 423 N -2.35 1.65 -0.63 6.12 0.00 -1.26 -4.69 107.32 106.17 3kow s GLY 423 Ca 0.56 0.09 -0.24 0.00 0.00 0.00 0.00 44.72 45.12 3kow s GLY 423 CO 0.02 0.47 1.03 -0.42 0.00 0.00 0.00 173.10 174.21 3kow s ILE 424 N -2.97 4.21 -0.20 0.90 -1.09 -0.59 -4.93 121.20 116.53 3kow s ILE 424 Ca 0.61 0.13 -0.12 0.00 -2.23 0.00 0.00 60.65 59.03 3kow s ILE 424 Cb -0.16 -4.68 -0.05 0.00 -1.58 0.00 0.00 42.46 35.99 3kow s ILE 424 CO 0.56 -1.39 0.23 0.00 -1.23 0.00 0.00 174.94 173.10 3kow s ALA 425 N 4.40 3.62 -0.03 9.38 0.00 -1.26 -4.52 121.76 133.34 3kow s ALA 425 Ca 0.29 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.64 3kow s ALA 425 Cb -0.13 -2.35 -0.03 0.00 0.00 0.00 0.00 23.12 20.61 3kow s ALA 425 CO 0.16 -0.02 -0.11 1.03 0.00 0.00 0.00 175.76 176.81 3kow s ARG 426 N 0.72 2.54 -0.39 0.00 1.81 -1.17 -4.97 118.95 117.49 3kow s ARG 426 Ca 0.12 -0.69 -0.25 0.00 -1.72 0.00 0.00 55.73 53.19 3kow s ARG 426 Cb -0.13 -2.45 0.02 0.00 -0.45 0.00 0.00 34.95 31.94 3kow s ARG 426 CO 0.03 0.62 0.91 -0.65 -0.68 0.00 0.00 175.30 175.53 3kow s GLN 427 N -0.97 3.76 0.27 3.54 1.11 -1.26 -3.87 119.66 122.24 3kow s GLN 427 Ca 0.13 0.46 0.00 0.00 0.01 0.00 0.00 55.36 55.96 3kow s GLN 427 Cb -0.11 -3.83 0.58 0.00 -1.01 0.00 0.00 33.01 28.64 3kow s GLN 427 CO 0.03 -0.99 1.76 0.97 0.01 0.00 0.00 175.29 177.07 3kow h ILE 428 N 5.87 0.72 -0.08 1.08 2.10 -1.98 1.78 117.51 127.00 3kow h ILE 428 Ca -0.24 -0.22 0.00 0.00 1.08 0.00 0.00 64.86 65.48 3kow h ILE 428 Cb 1.08 0.01 0.00 0.00 -1.09 0.00 0.00 36.82 36.82 3kow h ILE 428 CO 0.98 0.12 0.00 -0.46 -1.08 0.00 0.00 178.15 177.71 3kow n ASN 429 N -4.85 0.74 -2.31 2.19 6.94 -1.26 -4.54 115.26 112.17 3kow n ASN 429 Ca 0.18 -2.03 -0.05 0.00 -0.02 0.00 0.00 54.58 52.67 3kow n ASN 429 Cb 0.46 -0.18 -0.01 0.00 -2.36 0.00 0.00 39.78 37.69 3kow n ASN 429 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kow n GLY 430 N 0.47 4.09 0.00 4.83 0.00 0.61 -4.82 105.19 110.37 3kow n GLY 430 Ca 0.03 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.85 3kow n GLY 430 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kow n GLY 431 N 3.80 -0.02 3.72 -0.02 0.00 -1.26 -3.92 105.19 107.50 3kow n GLY 431 Ca -0.03 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 3kow n GLY 431 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kow s ILE 432 N -1.63 2.01 0.00 -0.61 -1.09 -0.61 -2.58 121.20 116.70 3kow s ILE 432 Ca 0.00 0.00 0.00 0.00 -2.23 0.00 0.00 60.65 58.42 3kow s ILE 432 Cb 0.00 -3.00 0.00 0.00 -1.58 0.00 0.00 42.46 37.88 3kow s ILE 432 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.32 3kow n GLY 433 N 3.73 1.12 3.70 6.18 0.00 -1.26 -0.67 105.19 117.99 3kow n GLY 433 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 3kow n GLY 433 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kow n ALA 434 N -0.78 1.56 -0.89 4.61 0.00 -1.06 -2.76 120.51 121.18 3kow n ALA 434 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 3kow n ALA 434 Cb 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.13 3kow n ALA 434 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kow n GLY 435 N 1.69 0.77 0.96 0.00 0.00 -1.26 -4.95 105.19 102.41 3kow n GLY 435 Ca 0.08 -0.63 0.03 0.00 0.00 0.00 0.00 46.02 45.51 3kow n GLY 435 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kow n THR 436 N -2.73 0.38 -3.57 2.61 -2.24 -1.11 -4.98 114.28 102.63 3kow n THR 436 Ca 0.00 -1.00 -0.41 0.00 -2.27 0.00 0.00 64.05 60.37 3kow n THR 436 Cb 0.14 0.61 -0.11 0.00 -2.10 0.00 0.00 70.33 68.86 3kow n THR 436 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3kow s VAL 437 N -0.56 4.81 0.03 2.28 1.01 -1.26 -5.07 120.40 121.64 3kow s VAL 437 Ca 0.23 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.58 3kow s VAL 437 Cb 0.25 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 3kow s VAL 437 CO -0.09 -0.16 0.04 -0.36 0.00 0.00 0.00 175.10 174.54 3kow s PHE 438 N 1.61 3.15 0.42 5.22 0.08 -1.26 -5.09 117.98 122.11 3kow s PHE 438 Ca 0.04 0.10 -0.22 0.00 0.12 0.00 0.00 56.93 56.97 3kow s PHE 438 Cb -0.18 -1.66 -0.10 0.00 -0.57 0.00 0.00 43.02 40.50 3kow s PHE 438 CO 0.08 0.50 0.97 -2.00 -0.10 0.00 0.00 175.22 174.67 3kow s GLU 439 N -1.92 4.23 0.05 0.44 2.12 -1.26 -5.01 118.70 117.35 3kow s GLU 439 Ca 0.24 1.22 -0.28 0.00 0.36 0.00 0.00 54.97 56.52 3kow s GLU 439 Cb -0.12 -2.31 -0.05 0.00 0.26 0.00 0.00 34.13 31.91 3kow s GLU 439 CO 0.15 -0.04 0.87 1.03 -0.54 0.00 0.00 175.26 176.74 3kow s ARG 440 N -2.92 4.58 0.61 4.30 0.52 -1.26 -5.05 118.95 119.72 3kow s ARG 440 Ca 0.60 1.25 -0.10 0.00 -0.52 0.00 0.00 55.73 56.96 3kow s ARG 440 Cb -0.13 -3.39 -0.04 0.00 0.52 0.00 0.00 34.95 31.91 3kow s ARG 440 CO 0.17 0.19 1.00 -0.51 0.02 0.00 0.00 175.30 176.17 3kow s ASP 441 N 0.20 6.23 0.55 0.23 1.01 -1.26 -4.96 116.67 118.66 3kow s ASP 441 Ca 0.44 1.36 0.30 0.00 0.71 0.00 0.00 52.55 55.36 3kow s ASP 441 Cb -0.21 -2.44 1.57 0.00 1.01 0.00 0.00 42.92 42.85 3kow s ASP 441 CO 0.26 -0.84 2.11 -0.08 0.21 0.00 0.00 175.17 176.83 3kow h GLU 442 N -0.26 0.00 -0.73 8.23 4.22 -2.01 -0.79 114.58 123.23 3kow h GLU 442 Ca -0.44 0.00 -0.24 0.00 0.08 0.00 0.00 59.36 58.76 3kow h GLU 442 Cb 1.19 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.30 3kow h GLU 442 CO 0.62 0.09 0.29 -0.40 -2.18 0.00 0.00 179.01 177.42 3kow n ASP 443 N -3.54 4.59 -4.78 1.04 5.75 -1.26 -4.74 116.55 113.61 3kow n ASP 443 Ca -0.02 -3.29 -0.36 0.00 -0.01 0.00 0.00 54.79 51.11 3kow n ASP 443 Cb 0.22 -0.74 -0.03 0.00 -1.03 0.00 0.00 41.12 39.53 3kow n ASP 443 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3kow s TYR 444 N -3.04 3.18 -0.28 2.11 5.04 -0.30 -4.91 117.35 119.14 3kow s TYR 444 Ca 0.55 1.62 -0.21 0.00 -2.44 0.00 0.00 57.07 56.58 3kow s TYR 444 Cb 0.44 -3.17 0.11 0.00 0.35 0.00 0.00 41.96 39.69 3kow s TYR 444 CO 0.12 -0.81 0.90 1.41 -1.34 0.00 0.00 175.55 175.83 3kow s MET 445 N -2.56 0.57 -0.15 4.97 1.75 -1.26 -0.65 119.30 121.96 3kow s MET 445 Ca 0.59 0.81 -0.01 0.00 -1.25 0.00 0.00 55.69 55.83 3kow s MET 445 Cb -0.23 0.21 0.04 0.00 2.84 0.00 0.00 34.83 37.69 3kow s MET 445 CO 0.29 -0.09 -0.04 0.00 -0.65 0.00 0.00 175.02 174.53 3kow s ALA 446 N 0.81 1.31 -0.04 4.11 0.00 -1.26 -5.01 121.76 121.67 3kow s ALA 446 Ca -0.03 -0.70 -0.02 0.00 0.00 0.00 0.00 51.96 51.21 3kow s ALA 446 Cb -0.05 -1.06 -0.08 0.00 0.00 0.00 0.00 23.12 21.93 3kow s ALA 446 CO -0.10 -0.76 2.62 -0.35 0.00 0.00 0.00 175.76 177.18 3kow n PRO 447 N 4.94 1.47 -4.33 0.00 -0.04 -1.26 -4.87 135.00 130.90 3kow n PRO 447 Ca -0.11 -0.56 -0.19 0.00 -0.04 0.00 0.00 63.50 62.60 3kow n PRO 447 Cb 0.48 -1.45 -0.09 0.00 -0.04 0.00 0.00 33.50 32.40 3kow n PRO 447 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3kow s VAL 448 N 0.12 0.33 0.43 0.52 -7.23 -1.26 -3.94 120.40 109.37 3kow s VAL 448 Ca 0.29 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.44 3kow s VAL 448 Cb 0.15 -2.52 -0.02 0.00 0.56 0.00 0.00 36.38 34.55 3kow s VAL 448 CO -0.01 0.00 0.67 -0.89 -0.31 0.00 0.00 175.10 174.57 3kow s THR 449 N -3.61 4.60 -1.06 5.32 2.01 -1.26 -4.21 115.64 117.43 3kow s THR 449 Ca 0.36 -0.27 -0.14 0.00 0.31 0.00 0.00 61.69 61.95 3kow s THR 449 Cb 0.05 -3.71 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 3kow s THR 449 CO 0.17 -0.56 0.81 0.00 -0.69 0.00 0.00 174.62 174.36 3kow n ALA 450 N -2.06 -2.55 -3.58 7.40 0.00 -1.26 -5.00 120.51 113.46 3kow n ALA 450 Ca -0.01 -0.11 -0.32 0.00 0.00 0.00 0.00 53.44 53.00 3kow n ALA 450 Cb 0.56 -4.17 -0.17 0.00 0.00 0.00 0.00 19.45 15.68 3kow n ALA 450 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3kow s HIS 451 N -3.37 2.51 -0.08 0.00 5.04 -1.26 -4.46 115.29 113.67 3kow s HIS 451 Ca 0.40 -1.21 -0.21 0.00 -1.54 0.00 0.00 55.06 52.50 3kow s HIS 451 Cb -0.11 -1.72 -0.17 0.00 0.04 0.00 0.00 32.58 30.62 3kow s HIS 451 CO 0.82 -0.55 0.77 0.35 -2.34 0.00 0.00 174.74 173.79 3kow h PHE 452 N 7.22 -0.10 -3.61 3.88 3.57 -1.90 -3.49 116.94 122.52 3kow h PHE 452 Ca -0.30 -0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.04 3kow h PHE 452 Cb 1.20 0.03 0.04 0.00 2.79 0.00 0.00 35.95 40.01 3kow h PHE 452 CO 0.47 0.44 0.07 0.41 -2.23 0.00 0.00 178.31 177.47 3kow n GLY 453 N 1.00 0.09 3.63 2.40 0.00 -1.26 -4.98 105.19 106.07 3kow n GLY 453 Ca -0.07 -1.89 -0.56 0.00 0.00 0.00 0.00 46.02 43.50 3kow n GLY 453 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kow n TYR 454 N -2.14 1.63 -3.47 1.61 9.36 -1.26 -4.94 117.16 117.96 3kow n TYR 454 Ca 0.06 0.67 -0.28 0.00 3.32 0.00 0.00 57.90 61.67 3kow n TYR 454 Cb 0.21 -2.35 -0.12 0.00 -0.63 0.00 0.00 39.34 36.45 3kow n TYR 454 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3kow s ASN 455 N 1.66 2.90 -0.80 2.98 3.84 -1.26 -4.73 114.94 119.52 3kow s ASN 455 Ca 0.91 -1.94 -0.25 0.00 0.21 0.00 0.00 52.86 51.79 3kow s ASN 455 Cb -1.06 -0.29 -0.02 0.00 -0.55 0.00 0.00 41.25 39.33 3kow s ASN 455 CO 0.56 -0.33 1.82 0.21 -2.79 0.00 0.00 177.10 176.57 3kow s ASN 456 N 1.32 5.40 -0.24 -4.21 2.47 0.18 -4.70 114.94 115.15 3kow s ASN 456 Ca 0.16 -0.39 0.03 0.00 0.42 0.00 0.00 52.86 53.08 3kow s ASN 456 Cb -0.21 -2.55 -0.18 0.00 -1.45 0.00 0.00 41.25 36.86 3kow s ASN 456 CO -0.07 -2.43 -0.15 0.52 -3.72 0.00 0.00 177.10 171.25 3kow n VAL 457 N 7.44 1.50 -0.24 -5.21 0.31 -1.26 -4.40 118.33 116.47 3kow n VAL 457 Ca 0.30 -0.61 0.15 0.00 -0.01 0.00 0.00 64.34 64.17 3kow n VAL 457 Cb 0.49 -1.33 0.28 0.00 -0.91 0.00 0.00 33.84 32.37 3kow n VAL 457 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3kow n LYS 458 N -3.21 -0.05 0.00 5.55 5.02 -1.26 -0.22 118.16 123.98 3kow n LYS 458 Ca -0.43 1.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 3kow n LYS 458 Cb 1.01 -1.74 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 3kow n LYS 458 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kow n GLN 459 N -4.88 0.09 0.08 1.97 10.64 -1.26 -3.22 117.38 120.80 3kow n GLN 459 Ca 0.20 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.37 3kow n GLN 459 Cb 0.67 -1.01 0.00 0.00 -0.86 0.00 0.00 30.24 29.04 3kow n GLN 459 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3kow n TYR 460 N -0.33 -1.33 -3.55 2.61 4.01 0.69 -5.08 117.16 114.19 3kow n TYR 460 Ca 0.00 0.23 -0.20 0.00 -0.16 0.00 0.00 57.90 57.77 3kow n TYR 460 Cb 0.00 0.43 -0.14 0.00 -0.31 0.00 0.00 39.34 39.32 3kow n TYR 460 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3kow s ASP 461 N -4.91 1.58 0.47 7.72 2.15 -1.18 -5.03 116.67 117.47 3kow s ASP 461 Ca 0.00 -0.27 0.24 0.00 0.43 0.00 0.00 52.55 52.95 3kow s ASP 461 Cb 0.00 0.19 1.16 0.00 -0.30 0.00 0.00 42.92 43.97 3kow s ASP 461 CO 0.00 -0.32 1.95 -0.33 -0.17 0.00 0.00 175.17 176.30 3kow h GLU 462 N 8.35 0.00 -0.17 4.34 3.07 -1.81 -2.32 114.58 126.04 3kow h GLU 462 Ca -0.16 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.75 3kow h GLU 462 Cb 1.15 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.05 3kow h GLU 462 CO 0.27 0.20 0.15 0.00 -1.40 0.00 0.00 179.01 178.22 3kow h ALA 463 N 1.80 1.96 -0.29 3.43 0.00 -1.95 -3.01 119.26 121.21 3kow h ALA 463 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3kow h ALA 463 Cb 0.52 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3kow h ALA 463 CO 0.03 -0.23 0.00 1.28 0.00 0.00 0.00 179.25 180.32 3kow n LEU 464 N -4.15 2.82 -0.30 0.00 4.32 -0.87 -4.58 117.00 114.24 3kow n LEU 464 Ca 0.01 -1.18 0.11 0.00 -0.02 0.00 0.00 56.01 54.93 3kow n LEU 464 Cb 0.27 -0.18 0.24 0.00 -1.62 0.00 0.00 43.42 42.14 3kow n LEU 464 CO 0.31 0.59 0.86 0.58 -1.22 0.00 0.00 177.39 178.51 3kow h VAL 465 N 3.73 0.23 0.00 4.08 2.07 -1.69 -0.12 116.25 124.55 3kow h VAL 465 Ca 0.00 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 3kow h VAL 465 Cb 0.82 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3kow h VAL 465 CO 0.00 0.02 -0.17 0.77 0.02 0.00 0.00 177.57 178.21 3kow h SER 466 N 0.11 0.00 -2.58 0.57 4.64 -1.88 -3.36 113.55 111.04 3kow h SER 466 Ca 0.52 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 61.25 3kow h SER 466 Cb 1.02 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.72 3kow h SER 466 CO -0.75 0.17 -0.88 -1.61 -0.87 0.00 0.00 176.83 172.89 3kow s GLU 467 N -3.49 1.12 0.28 4.77 0.41 -0.07 -4.96 118.70 116.76 3kow s GLU 467 Ca 0.02 -2.20 0.24 0.00 -0.41 0.00 0.00 54.97 52.63 3kow s GLU 467 Cb 0.09 -1.77 1.00 0.00 -1.78 0.00 0.00 34.13 31.66 3kow s GLU 467 CO 0.63 -1.34 1.74 -1.35 -0.49 0.00 0.00 175.26 174.45 3kow h PRO 468 N 5.84 0.00 0.00 0.39 0.11 -1.69 -2.33 132.00 134.32 3kow h PRO 468 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3kow h PRO 468 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3kow h PRO 468 CO 0.42 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.08 3kow n SER 469 N -2.30 0.56 0.24 -2.05 3.41 -1.25 -1.03 113.62 111.19 3kow n SER 469 Ca 0.02 0.73 0.14 0.00 -0.26 0.00 0.00 58.87 59.49 3kow n SER 469 Cb 0.25 -0.81 0.35 0.00 -0.26 0.00 0.00 64.21 63.74 3kow n SER 469 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3kow h LYS 470 N 0.00 0.00 -0.13 4.33 1.57 -1.71 0.31 116.57 120.93 3kow h LYS 470 Ca 0.00 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3kow h LYS 470 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3kow h LYS 470 CO 0.00 0.02 0.30 -0.07 -0.57 0.00 0.00 179.45 179.13 3kow h LEU 471 N 0.00 0.00 -2.41 2.94 4.07 -1.30 -2.60 115.31 116.01 3kow h LEU 471 Ca -0.00 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.89 3kow h LEU 471 Cb 0.84 0.00 -0.16 0.00 1.08 0.00 0.00 40.66 42.42 3kow h LEU 471 CO 0.00 0.00 -0.72 2.30 -1.08 0.00 0.00 178.44 178.94 3kow n ILE 472 N -3.27 0.00 -3.55 1.22 -5.35 -1.11 -5.02 119.36 102.29 3kow n ILE 472 Ca 0.01 -0.41 -0.20 0.00 -0.27 0.00 0.00 62.75 61.88 3kow n ILE 472 Cb 0.39 0.70 0.07 0.00 -1.74 0.00 0.00 39.64 39.07 3kow n ILE 472 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3kow n ASP 473 N 0.20 -2.38 0.00 7.28 8.00 -0.98 -4.81 116.55 123.87 3kow n ASP 473 Ca 0.02 -0.68 0.00 0.00 0.71 0.00 0.00 54.79 54.85 3kow n ASP 473 Cb 0.88 -4.76 0.00 0.00 -0.02 0.00 0.00 41.12 37.23 3kow n ASP 473 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kow n GLY 474 N -1.38 1.96 3.85 0.44 0.00 0.10 -4.97 105.19 105.20 3kow n GLY 474 Ca -0.25 -1.68 -0.24 0.00 0.00 0.00 0.00 46.02 43.85 3kow n GLY 474 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kow h THR 476 N 1.01 0.00 -0.04 0.00 1.35 -1.94 0.14 112.91 113.43 3kow h THR 476 Ca -0.40 0.00 -0.18 0.00 -0.55 0.00 0.00 66.41 65.28 3kow h THR 476 Cb 1.28 0.36 -0.01 0.00 -1.73 0.00 0.00 68.15 68.05 3kow h THR 476 CO 0.60 0.00 -0.77 -0.07 -0.25 0.00 0.00 175.52 175.03 3kow h LEU 477 N 0.00 0.36 0.00 3.87 3.38 -1.97 -3.27 115.31 117.68 3kow h LEU 477 Ca 0.00 -0.25 -0.21 0.00 0.09 0.00 0.00 57.88 57.50 3kow h LEU 477 Cb 0.46 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 3kow h LEU 477 CO 0.00 1.00 -2.06 -0.62 0.09 0.00 0.00 178.44 176.85 3kow n GLU 478 N -3.78 1.04 -3.62 1.13 4.71 -0.19 -4.75 120.64 115.18 3kow n GLU 478 Ca -0.04 -0.06 -0.33 0.00 -0.01 0.00 0.00 57.16 56.73 3kow n GLU 478 Cb 0.73 -1.43 -0.08 0.00 -1.01 0.00 0.00 31.44 29.65 3kow n GLU 478 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3kow n VAL 479 N -2.47 2.71 0.13 2.62 0.31 0.33 -4.93 118.33 117.02 3kow n VAL 479 Ca -0.20 -5.14 0.19 0.00 -0.01 0.00 0.00 64.34 59.18 3kow n VAL 479 Cb 0.87 -2.25 0.73 0.00 -0.91 0.00 0.00 33.84 32.29 3kow n VAL 479 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3kow h PRO 480 N 5.40 0.00 0.00 5.55 0.11 -1.81 -0.41 132.00 140.84 3kow h PRO 480 Ca 0.17 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 3kow h PRO 480 Cb 0.75 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.86 3kow h PRO 480 CO 0.86 0.00 -0.01 0.93 -0.21 0.00 0.00 178.00 179.56 3kow h GLU 481 N 0.00 0.00 0.00 1.05 3.07 -1.91 -2.09 114.58 114.70 3kow h GLU 481 Ca 0.16 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.99 3kow h GLU 481 Cb 1.11 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.02 3kow h GLU 481 CO -0.00 0.01 -0.14 0.87 -1.40 0.00 0.00 179.01 178.35 3kow h LYS 482 N 0.00 0.00 -6.48 2.33 1.57 -1.43 -3.45 116.57 109.11 3kow h LYS 482 Ca -0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 3kow h LYS 482 Cb 0.33 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.69 3kow h LYS 482 CO 0.00 0.14 0.91 -0.89 -0.57 0.00 0.00 179.45 179.04 3kow n ILE 483 N -3.23 0.15 -3.19 1.86 5.41 -0.79 -4.94 119.36 114.63 3kow n ILE 483 Ca 0.01 -0.03 -0.40 0.00 1.00 0.00 0.00 62.75 63.33 3kow n ILE 483 Cb 0.44 -1.71 -0.07 0.00 -0.71 0.00 0.00 39.64 37.58 3kow n ILE 483 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3kow s VAL 484 N 1.72 5.02 -0.29 1.39 1.01 -1.26 -5.04 120.40 122.95 3kow s VAL 484 Ca 0.81 0.88 -0.11 0.00 0.00 0.00 0.00 61.98 63.56 3kow s VAL 484 Cb -0.64 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 3kow s VAL 484 CO 0.40 0.01 0.19 -0.47 0.00 0.00 0.00 175.10 175.22 3kow s TYR 485 N 2.41 3.21 -0.10 5.22 5.04 -1.26 -5.08 117.35 126.79 3kow s TYR 485 Ca 0.23 -0.02 -0.05 0.00 -2.44 0.00 0.00 57.07 54.78 3kow s TYR 485 Cb -0.15 -2.39 -0.04 0.00 0.35 0.00 0.00 41.96 39.73 3kow s TYR 485 CO 0.10 -0.23 0.12 0.42 -1.34 0.00 0.00 175.55 174.62 3kow s ILE 486 N 1.73 5.29 -0.11 3.14 1.01 -1.26 -5.06 121.20 125.94 3kow s ILE 486 Ca 0.07 0.07 -0.12 0.00 0.00 0.00 0.00 60.65 60.67 3kow s ILE 486 Cb -0.16 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 3kow s ILE 486 CO 0.10 0.57 -0.23 -0.67 0.00 0.00 0.00 174.94 174.71 3kow n ASP 487 N 1.85 1.44 -4.14 3.58 2.03 -1.26 -4.56 116.55 115.49 3kow n ASP 487 Ca -0.18 0.24 -0.13 0.00 0.52 0.00 0.00 54.79 55.23 3kow n ASP 487 Cb 0.54 -0.62 -0.11 0.00 -0.72 0.00 0.00 41.12 40.21 3kow n ASP 487 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3kow s GLU 488 N -2.40 0.74 -0.03 -0.67 0.41 -1.26 -3.77 118.70 111.71 3kow s GLU 488 Ca -0.19 -1.05 -0.02 0.00 -0.41 0.00 0.00 54.97 53.30 3kow s GLU 488 Cb 0.03 -0.41 -0.01 0.00 -1.78 0.00 0.00 34.13 31.95 3kow s GLU 488 CO 0.29 0.06 -0.04 1.28 -0.49 0.00 0.00 175.26 176.35 3kow n LEU 489 N 0.79 0.25 -4.79 1.80 4.77 -1.26 -4.93 117.00 113.63 3kow n LEU 489 Ca -0.18 0.04 -0.37 0.00 -0.03 0.00 0.00 56.01 55.47 3kow n LEU 489 Cb 0.57 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.49 3kow n LEU 489 CO 0.25 0.06 0.56 -0.62 -1.33 0.00 0.00 177.39 176.31 3kow s ASP 490 N -5.32 7.28 0.20 -1.43 -1.08 -1.26 -4.99 116.67 110.07 3kow s ASP 490 Ca -0.05 1.69 0.23 0.00 -0.52 0.00 0.00 52.55 53.90 3kow s ASP 490 Cb 0.02 -2.52 -0.00 0.00 -1.46 0.00 0.00 42.92 38.95 3kow s ASP 490 CO 0.06 0.01 1.04 1.21 0.52 0.00 0.00 175.17 178.01 3kow n GLU 491 N 0.77 0.60 -0.02 4.34 4.07 -1.26 -4.33 120.64 124.82 3kow n GLU 491 Ca -0.00 0.12 0.00 0.00 -0.06 0.00 0.00 57.16 57.22 3kow n GLU 491 Cb 0.50 -1.83 -0.06 0.00 -0.06 0.00 0.00 31.44 29.99 3kow n GLU 491 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3kow n ASN 492 N -2.67 3.15 -4.28 4.31 4.13 -1.26 -4.84 115.26 113.79 3kow n ASN 492 Ca -0.00 0.00 -0.44 0.00 1.68 0.00 0.00 54.58 55.82 3kow n ASN 492 Cb 0.55 1.05 -0.03 0.00 -1.54 0.00 0.00 39.78 39.81 3kow n ASN 492 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3kow s ASP 493 N -3.40 6.58 0.22 6.41 -1.08 -1.26 -4.80 116.67 119.34 3kow s ASP 493 Ca -0.03 -2.94 -0.23 0.00 -0.52 0.00 0.00 52.55 48.83 3kow s ASP 493 Cb 0.04 -2.14 0.04 0.00 -1.46 0.00 0.00 42.92 39.40 3kow s ASP 493 CO 0.32 -0.47 0.80 0.54 0.52 0.00 0.00 175.17 176.88 3kow s ASN 494 N 1.64 -0.26 0.18 -0.34 2.20 -1.25 -3.69 114.94 113.42 3kow s ASN 494 Ca 0.21 -0.48 -0.11 0.00 -0.94 0.00 0.00 52.86 51.54 3kow s ASN 494 Cb -0.11 0.63 0.08 0.00 -2.00 0.00 0.00 41.25 39.85 3kow s ASN 494 CO -0.08 -1.15 1.70 1.62 -2.94 0.00 0.00 177.10 176.25 3kow h VAL 495 N 2.00 1.25 -0.79 3.54 3.04 -1.94 -1.79 116.25 121.56 3kow h VAL 495 Ca -0.22 -0.88 0.04 0.00 -1.01 0.00 0.00 66.70 64.64 3kow h VAL 495 Cb 1.25 0.62 -0.05 0.00 -2.01 0.00 0.00 31.29 31.10 3kow h VAL 495 CO 0.25 0.33 0.50 0.78 -1.01 0.00 0.00 177.57 178.42 3kow h ASN 496 N 0.91 0.80 0.60 3.17 2.35 -1.97 0.14 115.58 121.59 3kow h ASN 496 Ca 0.20 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 3kow h ASN 496 Cb 0.32 -0.17 0.01 0.00 0.05 0.00 0.00 38.32 38.53 3kow h ASN 496 CO -0.00 0.54 -0.29 0.58 -1.65 0.00 0.00 177.43 176.61 3kow h VAL 497 N 0.94 0.17 -1.34 2.81 2.07 -1.83 -0.65 116.25 118.41 3kow h VAL 497 Ca 0.33 -0.38 0.39 0.00 0.82 0.00 0.00 66.70 67.87 3kow h VAL 497 Cb 0.07 0.23 -0.08 0.00 -1.52 0.00 0.00 31.29 30.00 3kow h VAL 497 CO -0.14 0.03 0.93 0.03 0.02 0.00 0.00 177.57 178.44 3kow h ARG 498 N -1.13 0.09 0.03 1.57 3.08 -1.17 -2.31 114.38 114.53 3kow h ARG 498 Ca -0.08 -0.01 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 3kow h ARG 498 Cb 0.66 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 3kow h ARG 498 CO 0.14 0.06 -0.47 0.52 -1.07 0.00 0.00 179.97 179.14 3kow h MET 499 N 0.09 0.07 -1.12 0.04 2.86 -0.37 -3.11 114.93 113.39 3kow h MET 499 Ca 0.70 -0.11 0.31 0.00 -2.06 0.00 0.00 59.70 58.54 3kow h MET 499 Cb 2.49 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 34.13 3kow h MET 499 CO -0.14 1.05 0.78 1.49 1.06 0.00 0.00 176.91 181.15 3kow h GLU 500 N -0.85 0.11 0.00 1.72 4.22 -0.80 0.43 114.58 119.41 3kow h GLU 500 Ca -0.11 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.32 3kow h GLU 500 Cb 1.22 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 3kow h GLU 500 CO -0.01 0.07 -0.01 1.49 -2.18 0.00 0.00 179.01 178.37 3kow h GLU 501 N 0.11 0.00 0.00 1.92 4.22 -1.35 -3.14 114.58 116.35 3kow h GLU 501 Ca 0.56 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 60.00 3kow h GLU 501 Cb 2.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.25 3kow h GLU 501 CO -0.09 0.01 -0.12 0.25 -2.18 0.00 0.00 179.01 176.87 3kow n THR 502 N -3.44 1.46 -0.28 0.32 -2.24 0.13 -4.79 114.28 105.44 3kow n THR 502 Ca -0.03 -1.76 0.09 0.00 -2.27 0.00 0.00 64.05 60.09 3kow n THR 502 Cb 0.09 -0.07 0.23 0.00 -2.10 0.00 0.00 70.33 68.48 3kow n THR 502 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3kow h LYS 503 N 0.01 0.21 -1.67 -0.78 1.57 -1.48 0.22 116.57 114.66 3kow h LYS 503 Ca -0.00 -0.01 0.52 0.00 -1.87 0.00 0.00 60.65 59.29 3kow h LYS 503 Cb 1.09 -0.05 -0.11 0.00 0.08 0.00 0.00 32.23 33.24 3kow h LYS 503 CO 0.00 0.14 1.14 1.05 -0.57 0.00 0.00 179.45 181.21 3kow h GLU 504 N 0.22 0.00 -0.76 3.15 4.11 -1.86 0.12 114.58 119.56 3kow h GLU 504 Ca 0.49 -0.00 -0.46 0.00 0.07 0.00 0.00 59.36 59.46 3kow h GLU 504 Cb 0.91 -0.00 -0.26 0.00 0.50 0.00 0.00 28.75 29.91 3kow h GLU 504 CO -0.61 0.00 0.29 1.19 0.07 0.00 0.00 179.01 179.95 3kow n PHE 505 N -4.36 2.44 -2.88 2.06 3.01 0.07 -4.45 117.46 113.35 3kow n PHE 505 Ca 0.42 -2.13 -0.12 0.00 1.01 0.00 0.00 57.45 56.64 3kow n PHE 505 Cb 1.78 -0.86 0.04 0.00 -0.01 0.00 0.00 39.48 40.44 3kow n PHE 505 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3kow n ARG 506 N -1.03 1.04 -0.01 -1.08 1.74 0.41 -5.01 116.66 112.73 3kow n ARG 506 Ca 0.50 -2.59 0.05 0.00 -0.77 0.00 0.00 57.85 55.04 3kow n ARG 506 Cb 1.12 -1.15 -0.09 0.00 -1.02 0.00 0.00 32.46 31.32 3kow n ARG 506 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3kow n SER 509 N 0.14 2.22 -4.69 0.55 2.88 -1.26 -5.13 113.62 108.32 3kow n SER 509 Ca 0.12 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.37 3kow n SER 509 Cb 0.72 1.51 0.14 0.00 -0.75 0.00 0.00 64.21 65.83 3kow n SER 509 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 3kow s MET 510 N -2.81 1.16 -0.13 -1.46 -1.94 -1.26 -2.84 119.30 110.02 3kow s MET 510 Ca -0.05 0.16 -0.30 0.00 -1.71 0.00 0.00 55.69 53.79 3kow s MET 510 Cb 0.08 -1.85 0.11 0.00 2.01 0.00 0.00 34.83 35.17 3kow s MET 510 CO 0.50 -2.16 0.89 -1.50 -0.01 0.00 0.00 175.02 172.75 3kow s ILE 511 N -3.40 0.00 0.16 2.53 2.07 -0.98 -4.88 121.20 116.70 3kow s ILE 511 Ca 0.65 0.00 -0.20 0.00 -1.41 0.00 0.00 60.65 59.68 3kow s ILE 511 Cb -0.12 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.52 3kow s ILE 511 CO 0.52 0.00 0.54 -1.59 -1.91 0.00 0.00 174.94 172.51 3kow s LYS 512 N -1.06 1.27 0.99 3.50 -2.85 -1.26 -2.41 119.74 117.91 3kow s LYS 512 Ca -0.05 -0.62 -0.14 0.00 -1.00 0.00 0.00 55.97 54.16 3kow s LYS 512 Cb -0.01 0.55 0.03 0.00 -2.06 0.00 0.00 37.83 36.34 3kow s LYS 512 CO 0.04 -0.54 0.19 -2.30 0.10 0.00 0.00 175.35 172.84 3kow n PRO 513 N -0.34 -0.50 -3.48 1.78 -0.02 -1.26 -4.62 135.00 126.56 3kow n PRO 513 Ca -0.15 -0.11 -0.11 0.00 -2.02 0.00 0.00 63.50 61.10 3kow n PRO 513 Cb 0.64 -1.73 -0.03 0.00 -0.02 0.00 0.00 33.50 32.36 3kow n PRO 513 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3kow s GLU 514 N -3.42 1.25 0.00 -0.52 -1.05 -1.26 -2.14 118.70 111.57 3kow s GLU 514 Ca 0.55 -0.54 0.00 0.00 -0.15 0.00 0.00 54.97 54.82 3kow s GLU 514 Cb -0.19 0.56 0.00 0.00 -0.44 0.00 0.00 34.13 34.07 3kow s GLU 514 CO 0.69 -0.54 0.00 1.33 0.95 0.00 0.00 175.26 177.69 3kow n VAL 515 N -0.35 0.00 0.00 1.83 0.24 -1.26 -4.78 118.33 114.00 3kow n VAL 515 Ca -0.16 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 3kow n VAL 515 Cb 0.65 0.47 0.00 0.00 -1.47 0.00 0.00 33.84 33.48 3kow n VAL 515 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3kow n GLU 516 N -1.07 0.00 -4.25 7.34 0.28 -1.26 -1.33 120.64 120.34 3kow n GLU 516 Ca 0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.71 3kow n GLU 516 Cb 0.00 -0.11 -0.10 0.00 1.43 0.00 0.00 31.44 32.66 3kow n GLU 516 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 3kow s TRP 517 N -1.00 2.67 -0.34 -1.84 0.51 -1.26 -4.73 118.94 112.94 3kow s TRP 517 Ca 0.00 -0.19 -0.42 0.00 -2.12 0.00 0.00 56.10 53.37 3kow s TRP 517 Cb 0.00 -1.38 -0.16 0.00 -0.81 0.00 0.00 33.47 31.11 3kow s TRP 517 CO 0.00 0.43 1.76 0.94 -0.51 0.00 0.00 176.95 179.57 3kow n GLN 518 N 0.60 0.84 -1.47 4.98 -0.06 -1.26 -1.42 117.38 119.59 3kow n GLN 518 Ca -0.13 0.30 -0.16 0.00 -2.00 0.00 0.00 57.00 55.00 3kow n GLN 518 Cb 0.53 -1.97 -0.07 0.00 -4.06 0.00 0.00 30.24 24.67 3kow n GLN 518 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3kow n ALA 519 N 5.45 -0.25 0.16 1.69 0.00 -1.26 -4.83 120.51 121.47 3kow n ALA 519 Ca 0.30 0.27 0.08 0.00 0.00 0.00 0.00 53.44 54.08 3kow n ALA 519 Cb 0.08 -1.75 0.42 0.00 0.00 0.00 0.00 19.45 18.21 3kow n ALA 519 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3kow n ASP 520 N -0.97 0.40 0.00 0.00 5.68 -0.51 -4.79 116.55 116.36 3kow n ASP 520 Ca -0.16 0.61 0.00 0.00 -0.50 0.00 0.00 54.79 54.74 3kow n ASP 520 Cb 0.57 -0.60 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 3kow n ASP 520 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kow n GLY 521 N -1.28 0.82 3.74 6.12 0.00 -0.91 -4.86 105.19 108.82 3kow n GLY 521 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 3kow n GLY 521 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kow s THR 522 N -3.20 4.24 0.12 2.61 2.01 -1.26 0.53 115.64 120.69 3kow s THR 522 Ca 0.00 2.06 0.03 0.00 0.31 0.00 0.00 61.69 64.09 3kow s THR 522 Cb 0.00 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 3kow s THR 522 CO 0.00 0.41 -0.07 0.68 -0.69 0.00 0.00 174.62 174.95 3kow s VAL 523 N -0.65 0.89 -0.16 3.82 -7.23 -0.21 -4.01 120.40 112.85 3kow s VAL 523 Ca 0.44 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.63 3kow s VAL 523 Cb -0.25 -1.79 0.02 0.00 0.56 0.00 0.00 36.38 34.92 3kow s VAL 523 CO 0.31 -0.79 -0.19 -0.22 -0.31 0.00 0.00 175.10 173.91 3kow s LEU 524 N -3.11 1.98 -0.14 1.32 2.96 -1.26 -2.09 118.68 118.33 3kow s LEU 524 Ca 0.15 -0.58 -0.03 0.00 -0.22 0.00 0.00 54.13 53.44 3kow s LEU 524 Cb 0.04 -1.36 -0.03 0.00 0.50 0.00 0.00 46.19 45.34 3kow s LEU 524 CO -0.02 0.00 -0.03 -0.22 -1.32 0.00 0.00 176.35 174.77 3kow s LEU 525 N 1.21 3.32 -0.04 -0.68 2.96 0.33 -4.95 118.68 120.82 3kow s LEU 525 Ca 0.01 -0.08 0.06 0.00 -0.22 0.00 0.00 54.13 53.90 3kow s LEU 525 Cb -0.14 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 44.75 3kow s LEU 525 CO -0.09 0.20 -0.22 -0.89 -1.32 0.00 0.00 176.35 174.03 3kow s THR 526 N 0.16 1.78 0.20 3.68 2.01 -1.26 0.20 115.64 122.40 3kow s THR 526 Ca -0.01 -0.93 -0.16 0.00 0.31 0.00 0.00 61.69 60.89 3kow s THR 526 Cb -0.14 -1.49 0.02 0.00 0.01 0.00 0.00 72.50 70.90 3kow s THR 526 CO 0.03 0.50 0.50 0.00 -0.69 0.00 0.00 174.62 174.96 3kow s MET 527 N -0.27 1.38 -0.12 4.92 0.23 -0.34 -5.01 119.30 120.10 3kow s MET 527 Ca 0.02 -0.92 0.02 0.00 -1.03 0.00 0.00 55.69 53.78 3kow s MET 527 Cb -0.11 0.51 0.01 0.00 -1.53 0.00 0.00 34.83 33.71 3kow s MET 527 CO 0.01 -0.58 -0.19 0.12 -2.03 0.00 0.00 175.02 172.36 3kow s PHE 528 N -3.89 2.31 -0.15 3.16 5.36 -1.26 0.02 117.98 123.53 3kow s PHE 528 Ca 0.11 -1.12 -0.02 0.00 -0.96 0.00 0.00 56.93 54.94 3kow s PHE 528 Cb -0.01 -1.61 -0.02 0.00 -0.34 0.00 0.00 43.02 41.04 3kow s PHE 528 CO -0.02 -0.54 -0.08 -0.51 -1.46 0.00 0.00 175.22 172.62 3kow s LEU 529 N 0.88 3.00 -1.21 6.12 1.43 0.89 -4.95 118.68 124.84 3kow s LEU 529 Ca -0.07 -0.23 -0.21 0.00 -1.03 0.00 0.00 54.13 52.59 3kow s LEU 529 Cb -0.15 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.35 3kow s LEU 529 CO -0.01 0.16 1.83 -2.84 0.23 0.00 0.00 176.35 175.72 3kow s PRO 530 N 0.40 3.16 0.00 1.29 0.02 -1.26 0.28 135.00 138.89 3kow s PRO 530 Ca -0.07 -1.45 0.00 0.00 0.02 0.00 0.00 61.00 59.50 3kow s PRO 530 Cb -0.15 -5.36 0.00 0.00 0.02 0.00 0.00 34.50 29.01 3kow s PRO 530 CO 0.04 -3.16 0.00 -2.37 -0.33 0.00 0.00 177.00 171.18 3kow n THR 531 N 7.19 0.00 -1.38 0.99 5.66 -1.25 -4.78 114.28 120.72 3kow n THR 531 Ca 0.46 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 61.15 3kow n THR 531 Cb 0.47 0.00 0.08 0.00 -1.55 0.00 0.00 70.33 69.32 3kow n THR 531 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3kow s SER 532 N 0.00 4.82 0.08 1.09 1.04 -1.26 -3.16 113.70 116.31 3kow s SER 532 Ca 0.00 1.74 -0.33 0.00 0.48 0.00 0.00 55.95 57.84 3kow s SER 532 Cb 0.00 -2.51 -0.18 0.00 0.10 0.00 0.00 66.02 63.44 3kow s SER 532 CO 0.00 -1.82 1.61 0.07 0.98 0.00 0.00 173.24 174.08 3kow h LYS 533 N -0.98 -0.89 -0.89 4.02 2.10 -1.91 0.64 116.57 118.65 3kow h LYS 533 Ca -0.44 0.06 -0.02 0.00 -2.00 0.00 0.00 60.65 58.25 3kow h LYS 533 Cb 1.22 0.20 -0.04 0.00 -0.90 0.00 0.00 32.23 32.72 3kow h LYS 533 CO 0.53 -0.60 0.47 -0.09 -2.00 0.00 0.00 179.45 177.77 3kow h ARG 534 N -0.93 1.25 0.14 0.07 2.43 -1.98 -0.57 114.38 114.78 3kow h ARG 534 Ca -0.08 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 58.92 3kow h ARG 534 Cb 0.74 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3kow h ARG 534 CO 0.10 0.93 -0.07 0.28 -1.51 0.00 0.00 179.97 179.71 3kow h VAL 535 N 1.25 0.95 -0.30 0.20 2.07 -1.90 -3.09 116.25 115.43 3kow h VAL 535 Ca 0.31 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 3kow h VAL 535 Cb 0.06 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3kow h VAL 535 CO -0.05 0.08 0.13 0.00 0.02 0.00 0.00 177.57 177.76 3kow h ALA 536 N 0.50 1.68 -0.31 1.67 0.00 -0.50 -1.77 119.26 120.52 3kow h ALA 536 Ca -0.02 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.89 3kow h ALA 536 Cb 0.28 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 3kow h ALA 536 CO 0.03 0.26 -0.23 1.49 0.00 0.00 0.00 179.25 180.80 3kow h GLU 537 N 0.41 -0.20 -0.04 0.00 4.81 -1.03 0.76 114.58 119.30 3kow h GLU 537 Ca 0.11 0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.20 3kow h GLU 537 Cb 0.06 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3kow h GLU 537 CO -0.01 -0.13 -0.65 0.74 -0.73 0.00 0.00 179.01 178.22 3kow h PHE 538 N -0.21 0.20 -0.44 0.92 0.04 -1.35 -2.15 116.94 113.95 3kow h PHE 538 Ca 0.16 -0.08 -0.08 0.00 2.80 0.00 0.00 57.97 60.76 3kow h PHE 538 Cb 0.46 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 3kow h PHE 538 CO -0.42 0.76 -0.04 0.00 -0.60 0.00 0.00 178.31 178.01 3kow h ALA 539 N 1.22 0.59 -0.47 2.45 0.00 -1.34 -2.23 119.26 119.49 3kow h ALA 539 Ca -0.01 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 54.69 3kow h ALA 539 Cb 1.17 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.73 3kow h ALA 539 CO 0.10 0.42 0.08 0.00 0.00 0.00 0.00 179.25 179.84 3kow h ALA 540 N 0.89 0.50 -0.23 0.00 0.00 -0.61 -0.37 119.26 119.44 3kow h ALA 540 Ca 0.12 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.18 3kow h ALA 540 Cb 0.55 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3kow h ALA 540 CO 0.03 -0.33 -0.04 0.82 0.00 0.00 0.00 179.25 179.73 3kow h ILE 541 N 0.20 0.79 -0.78 0.00 1.08 -1.24 -1.18 117.51 116.38 3kow h ILE 541 Ca 0.23 -0.01 -0.03 0.00 -0.39 0.00 0.00 64.86 64.66 3kow h ILE 541 Cb 0.31 0.76 -0.04 0.00 -3.07 0.00 0.00 36.82 34.79 3kow h ILE 541 CO -0.32 0.00 0.37 -0.33 -0.69 0.00 0.00 178.15 177.19 3kow h GLU 542 N 0.02 1.12 0.17 2.37 4.39 -0.69 0.03 114.58 121.99 3kow h GLU 542 Ca 0.11 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3kow h GLU 542 Cb 0.16 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 3kow h GLU 542 CO -0.22 0.87 -0.14 0.74 -1.16 0.00 0.00 179.01 179.09 3kow h PHE 543 N 1.11 -0.37 -0.68 4.33 0.04 -0.86 -0.45 116.94 120.06 3kow h PHE 543 Ca 0.27 0.00 0.13 0.00 2.80 0.00 0.00 57.97 61.17 3kow h PHE 543 Cb 0.12 0.14 -0.09 0.00 2.20 0.00 0.00 35.95 38.32 3kow h PHE 543 CO 0.01 -0.22 0.21 0.00 -0.60 0.00 0.00 178.31 177.71 3kow h ALA 544 N 0.48 0.89 -0.51 2.45 0.00 -0.55 -0.51 119.26 121.51 3kow h ALA 544 Ca -0.00 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3kow h ALA 544 Cb 0.30 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3kow h ALA 544 CO -0.02 -0.26 0.17 0.87 0.00 0.00 0.00 179.25 180.01 3kow h LYS 545 N 0.35 0.78 0.00 0.00 1.57 -0.79 -1.39 116.57 117.09 3kow h LYS 545 Ca 0.37 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3kow h LYS 545 Cb 0.56 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3kow h LYS 545 CO -0.41 0.71 0.00 0.87 -0.57 0.00 0.00 179.45 180.05 3kow h LYS 546 N 0.69 0.00 -0.37 3.15 1.79 0.43 0.13 116.57 122.39 3kow h LYS 546 Ca 0.17 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 3kow h LYS 546 Cb 0.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 3kow h LYS 546 CO -0.01 0.00 0.00 -1.33 -1.08 0.00 0.00 179.45 177.03 3kow n MET 547 N -2.90 1.92 -1.01 3.15 2.81 -0.46 -4.94 117.12 115.69 3kow n MET 547 Ca -0.02 -1.43 -0.00 0.00 -1.81 0.00 0.00 57.70 54.44 3kow n MET 547 Cb 0.09 -1.33 -0.00 0.00 -0.71 0.00 0.00 33.22 31.27 3kow n MET 547 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3kow n ASN 548 N 0.65 -3.13 -4.77 7.83 3.02 0.44 -5.03 115.26 114.29 3kow n ASN 548 Ca 0.14 0.01 -0.39 0.00 -0.03 0.00 0.00 54.58 54.32 3kow n ASN 548 Cb 0.35 -0.66 -0.06 0.00 -0.61 0.00 0.00 39.78 38.80 3kow n ASN 548 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kow s LEU 549 N -0.09 4.51 0.40 3.41 1.43 -1.08 -4.47 118.68 122.79 3kow s LEU 549 Ca 0.00 1.87 0.08 0.00 -1.03 0.00 0.00 54.13 55.04 3kow s LEU 549 Cb 0.00 -3.75 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 3kow s LEU 549 CO 0.00 0.07 0.27 -1.83 0.23 0.00 0.00 176.35 175.08 3kow s GLU 550 N -1.56 2.42 -1.37 1.70 4.04 -0.71 -4.53 118.70 118.69 3kow s GLU 550 Ca 0.44 -1.62 -0.11 0.00 0.04 0.00 0.00 54.97 53.72 3kow s GLU 550 Cb -0.22 -2.22 0.01 0.00 0.02 0.00 0.00 34.13 31.72 3kow s GLU 550 CO 0.28 -0.10 0.40 -0.85 -1.84 0.00 0.00 175.26 173.15 3kow n GLU 551 N -1.37 -1.53 -3.04 -4.83 -0.00 -1.26 -1.09 120.64 107.52 3kow n GLU 551 Ca 0.01 0.23 -0.43 0.00 -0.00 0.00 0.00 57.16 56.97 3kow n GLU 551 Cb 0.62 -3.70 -0.06 0.00 -0.00 0.00 0.00 31.44 28.31 3kow n GLU 551 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 3kow s VAL 552 N -3.93 4.70 -0.04 3.84 1.01 -1.26 -4.51 120.40 120.21 3kow s VAL 552 Ca 0.18 -0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.12 3kow s VAL 552 Cb -0.09 -4.36 -0.02 0.00 0.00 0.00 0.00 36.38 31.91 3kow s VAL 552 CO 0.94 -0.87 -0.24 -1.61 0.00 0.00 0.00 175.10 173.32 3kow s GLU 553 N 3.12 2.35 -0.27 2.72 2.02 -0.99 -5.01 118.70 122.64 3kow s GLU 553 Ca 0.22 -0.89 -0.29 0.00 0.02 0.00 0.00 54.97 54.02 3kow s GLU 553 Cb -0.16 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 31.94 3kow s GLU 553 CO 0.16 0.49 1.25 0.08 0.02 0.00 0.00 175.26 177.26 3kow s VAL 554 N -0.42 4.24 -0.45 2.63 1.01 -1.26 -2.44 120.40 123.70 3kow s VAL 554 Ca 0.04 1.43 0.22 0.00 0.00 0.00 0.00 61.98 63.67 3kow s VAL 554 Cb -0.12 -4.16 -0.24 0.00 0.00 0.00 0.00 36.38 31.85 3kow s VAL 554 CO 0.01 -0.40 0.75 2.30 0.00 0.00 0.00 175.10 177.76 3kow n ILE 555 N 5.96 0.06 -3.68 2.22 -5.35 -0.31 -4.95 119.36 113.31 3kow n ILE 555 Ca 0.14 -0.30 -0.11 0.00 -0.27 0.00 0.00 62.75 62.21 3kow n ILE 555 Cb 0.46 0.33 -0.09 0.00 -1.74 0.00 0.00 39.64 38.60 3kow n ILE 555 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3kow s ASN 556 N -3.97 -0.65 -0.07 7.28 2.47 -1.04 -4.89 114.94 114.07 3kow s ASN 556 Ca -0.00 1.14 0.05 0.00 0.42 0.00 0.00 52.86 54.47 3kow s ASN 556 Cb 0.14 1.08 -0.00 0.00 -1.45 0.00 0.00 41.25 41.02 3kow s ASN 556 CO 0.87 -0.20 -0.21 -0.13 -3.72 0.00 0.00 177.10 173.70 3kow s ARG 557 N 0.99 2.37 -0.09 0.43 0.52 -1.26 -0.57 118.95 121.34 3kow s ARG 557 Ca -0.06 -0.76 0.01 0.00 -0.52 0.00 0.00 55.73 54.40 3kow s ARG 557 Cb -0.06 -1.94 0.02 0.00 0.52 0.00 0.00 34.95 33.49 3kow s ARG 557 CO -0.09 0.25 -0.09 -1.21 0.02 0.00 0.00 175.30 174.18 3kow s GLU 558 N 0.12 1.53 -0.37 3.54 2.02 -0.50 -4.99 118.70 120.05 3kow s GLU 558 Ca -0.09 -0.30 -0.29 0.00 0.02 0.00 0.00 54.97 54.31 3kow s GLU 558 Cb -0.14 -1.46 0.01 0.00 0.10 0.00 0.00 34.13 32.63 3kow s GLU 558 CO 0.05 -0.15 1.37 0.08 0.02 0.00 0.00 175.26 176.64 3kow s VAL 559 N 1.27 3.98 0.00 2.63 1.01 -1.26 -0.80 120.40 127.23 3kow s VAL 559 Ca -0.03 1.05 0.00 0.00 0.00 0.00 0.00 61.98 62.99 3kow s VAL 559 Cb -0.14 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.06 3kow s VAL 559 CO -0.03 -0.65 0.64 0.23 0.00 0.00 0.00 175.10 175.29 3kow n MET 560 N 7.79 0.00 -3.86 2.72 2.81 -0.83 -4.85 117.12 120.91 3kow n MET 560 Ca 0.16 0.29 -0.14 0.00 -1.81 0.00 0.00 57.70 56.20 3kow n MET 560 Cb 0.47 -1.19 -0.15 0.00 -0.71 0.00 0.00 33.22 31.64 3kow n MET 560 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 3kow s GLN 561 N -1.85 0.03 0.16 0.03 -0.44 -1.11 -4.98 119.66 111.50 3kow s GLN 561 Ca 0.00 0.05 0.05 0.00 -2.50 0.00 0.00 55.36 52.96 3kow s GLN 561 Cb 0.00 -0.14 0.48 0.00 -1.64 0.00 0.00 33.01 31.71 3kow s GLN 561 CO 0.00 -0.06 0.75 -1.91 0.50 0.00 0.00 175.29 174.58 3kow n GLU 562 N 3.49 -0.03 -0.12 1.67 2.13 -1.26 -1.43 120.64 125.09 3kow n GLU 562 Ca -0.18 0.70 -0.20 0.00 0.66 0.00 0.00 57.16 58.14 3kow n GLU 562 Cb 0.56 -1.16 -0.10 0.00 0.27 0.00 0.00 31.44 31.01 3kow n GLU 562 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3kow n ALA 563 N -3.10 1.47 0.27 4.31 0.00 -1.26 -4.21 120.51 117.98 3kow n ALA 563 Ca 0.14 -0.99 0.14 0.00 0.00 0.00 0.00 53.44 52.74 3kow n ALA 563 Cb 0.47 0.04 0.76 0.00 0.00 0.00 0.00 19.45 20.72 3kow n ALA 563 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3kow h GLU 564 N -0.30 0.00 0.00 0.00 4.39 -1.54 -3.33 114.58 113.80 3kow h GLU 564 Ca -0.55 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.15 3kow h GLU 564 Cb 1.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.37 3kow h GLU 564 CO -0.18 0.10 0.00 0.41 -1.16 0.00 0.00 179.01 178.18 3kow n GLY 565 N -0.54 2.25 2.96 -3.84 0.00 -0.97 -3.77 105.19 101.28 3kow n GLY 565 Ca -0.01 -1.08 -0.11 0.00 0.00 0.00 0.00 46.02 44.81 3kow n GLY 565 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kow s THR 566 N -2.00 0.03 -0.11 2.61 2.01 0.14 -1.96 115.64 116.37 3kow s THR 566 Ca 0.00 -0.28 -0.11 0.00 0.31 0.00 0.00 61.69 61.61 3kow s THR 566 Cb 0.00 -0.16 -0.05 0.00 0.01 0.00 0.00 72.50 72.30 3kow s THR 566 CO 0.00 -0.15 0.24 -0.60 -0.69 0.00 0.00 174.62 173.42 3kow s ARG 567 N -0.46 3.86 -0.06 4.92 3.52 0.02 -0.07 118.95 130.69 3kow s ARG 567 Ca -0.05 0.05 0.03 0.00 -0.13 0.00 0.00 55.73 55.62 3kow s ARG 567 Cb -0.03 -3.29 0.01 0.00 -1.56 0.00 0.00 34.95 30.08 3kow s ARG 567 CO -0.00 0.55 -0.13 0.42 -0.81 0.00 0.00 175.30 175.33 3kow s ILE 568 N -0.47 1.20 -0.12 4.11 -1.09 0.10 -1.41 121.20 123.53 3kow s ILE 568 Ca 0.17 -0.54 -0.00 0.00 -2.23 0.00 0.00 60.65 58.05 3kow s ILE 568 Cb -0.13 -1.08 -0.02 0.00 -1.58 0.00 0.00 42.46 39.65 3kow s ILE 568 CO 0.05 0.36 -0.11 -1.61 -1.23 0.00 0.00 174.94 172.41 3kow s GLU 569 N 0.49 3.24 0.15 2.79 2.02 0.26 -1.19 118.70 126.45 3kow s GLU 569 Ca -0.12 -0.64 0.08 0.00 0.02 0.00 0.00 54.97 54.31 3kow s GLU 569 Cb -0.14 -2.64 -0.04 0.00 0.10 0.00 0.00 34.13 31.41 3kow s GLU 569 CO 0.03 0.33 -0.19 -0.51 0.02 0.00 0.00 175.26 174.95 3kow s LEU 570 N 0.06 2.41 0.08 1.80 1.02 0.13 -1.16 118.68 123.02 3kow s LEU 570 Ca -0.04 -0.82 0.08 0.00 0.02 0.00 0.00 54.13 53.37 3kow s LEU 570 Cb -0.14 -0.82 -0.04 0.00 0.02 0.00 0.00 46.19 45.21 3kow s LEU 570 CO 0.04 -0.02 -0.17 -1.59 0.02 0.00 0.00 176.35 174.63 3kow s LYS 571 N -2.59 1.97 -0.01 1.70 -2.85 -1.02 -0.52 119.74 116.41 3kow s LYS 571 Ca 0.13 -1.06 -0.27 0.00 -1.00 0.00 0.00 55.97 53.77 3kow s LYS 571 Cb -0.07 -2.17 0.06 0.00 -2.06 0.00 0.00 37.83 33.59 3kow s LYS 571 CO 0.06 0.51 0.60 0.20 0.10 0.00 0.00 175.35 176.82 3kow s GLY 572 N -1.80 -0.50 -0.07 0.59 0.00 -0.89 -2.34 107.32 102.31 3kow s GLY 572 Ca 0.17 1.00 -0.14 0.00 0.00 0.00 0.00 44.72 45.75 3kow s GLY 572 CO 0.08 0.67 0.35 -1.60 0.00 0.00 0.00 173.10 172.60 3kow s ARG 573 N -1.63 3.97 -0.03 2.90 3.52 -0.25 -1.05 118.95 126.37 3kow s ARG 573 Ca -0.09 0.26 -0.25 0.00 -0.13 0.00 0.00 55.73 55.52 3kow s ARG 573 Cb -0.01 -3.29 -0.04 0.00 -1.56 0.00 0.00 34.95 30.06 3kow s ARG 573 CO 0.05 0.54 0.76 0.08 -0.81 0.00 0.00 175.30 175.93 3kow s VAL 574 N -0.53 4.94 -1.96 7.11 1.01 0.19 -1.74 120.40 129.41 3kow s VAL 574 Ca 0.21 1.59 0.15 0.00 0.00 0.00 0.00 61.98 63.93 3kow s VAL 574 Cb -0.15 -4.11 0.43 0.00 0.00 0.00 0.00 36.38 32.55 3kow s VAL 574 CO 0.09 0.26 1.35 -0.81 0.00 0.00 0.00 175.10 176.00 3kow n PRO 575 N 3.56 2.15 -4.19 2.72 -0.05 -1.26 -4.77 135.00 133.16 3kow n PRO 575 Ca -0.00 -1.74 -0.11 0.00 -0.05 0.00 0.00 63.50 61.59 3kow n PRO 575 Cb 0.51 -1.39 -0.10 0.00 -0.05 0.00 0.00 33.50 32.47 3kow n PRO 575 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 175.50 174.86 3kow s PHE 576 N -1.38 1.00 0.00 0.54 -0.12 -1.26 -5.16 117.98 111.60 3kow s PHE 576 Ca 0.32 -1.15 0.00 0.00 -0.05 0.00 0.00 56.93 56.05 3kow s PHE 576 Cb 0.17 -0.57 0.00 0.00 -0.63 0.00 0.00 43.02 41.99 3kow s PHE 576 CO 0.22 -0.39 0.00 -1.13 -0.05 0.00 0.00 175.22 173.86 3kow n SER 577 N -0.16 0.17 -3.72 1.98 3.41 -1.26 -4.86 113.62 109.19 3kow n SER 577 Ca -0.06 -0.96 -0.12 0.00 -0.26 0.00 0.00 58.87 57.47 3kow n SER 577 Cb 0.63 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.48 3kow n SER 577 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3kow s ILE 578 N 0.87 -0.02 -0.06 -1.33 -1.09 -1.01 -4.96 121.20 113.61 3kow s ILE 578 Ca 0.00 0.07 -0.25 0.00 -2.23 0.00 0.00 60.65 58.23 3kow s ILE 578 Cb 0.00 -0.54 -0.03 0.00 -1.58 0.00 0.00 42.46 40.31 3kow s ILE 578 CO 0.00 0.03 0.79 -0.62 -1.23 0.00 0.00 174.94 173.91 3kow s ASP 579 N 0.93 7.09 0.23 3.58 -1.08 -1.26 -2.32 116.67 123.84 3kow s ASP 579 Ca -0.06 1.32 -0.07 0.00 -0.52 0.00 0.00 52.55 53.22 3kow s ASP 579 Cb -0.07 -2.46 0.32 0.00 -1.46 0.00 0.00 42.92 39.26 3kow s ASP 579 CO -0.07 -0.19 1.80 0.40 0.52 0.00 0.00 175.17 177.63 3kow h ILE 580 N 4.82 0.92 0.00 4.11 1.08 -1.86 -2.87 117.51 123.70 3kow h ILE 580 Ca -0.40 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 63.83 3kow h ILE 580 Cb 1.20 0.14 0.00 0.00 -3.07 0.00 0.00 36.82 35.09 3kow h ILE 580 CO 0.76 0.13 0.00 0.78 -0.69 0.00 0.00 178.15 179.13 3kow h ASN 581 N 0.72 0.00 0.68 1.72 2.35 -1.92 0.23 115.58 119.36 3kow h ASN 581 Ca 0.35 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.10 3kow h ASN 581 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 3kow h ASN 581 CO -0.23 0.00 -0.53 -1.54 -1.65 0.00 0.00 177.43 173.48 3kow n SER 582 N -2.35 0.55 -4.72 5.81 3.41 -1.09 -4.86 113.62 110.36 3kow n SER 582 Ca 0.01 -0.04 -0.42 0.00 -0.26 0.00 0.00 58.87 58.15 3kow n SER 582 Cb 0.16 0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 3kow n SER 582 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3kow s LEU 583 N -3.52 4.41 -0.23 1.04 1.43 0.82 -5.01 118.68 117.61 3kow s LEU 583 Ca 0.09 2.14 -0.09 0.00 -1.03 0.00 0.00 54.13 55.25 3kow s LEU 583 Cb 0.16 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.75 3kow s LEU 583 CO 0.70 -0.44 0.11 -0.69 0.23 0.00 0.00 176.35 176.25 3kow s VAL 584 N 0.57 4.87 -0.12 -1.59 1.01 -1.26 -5.06 120.40 118.82 3kow s VAL 584 Ca 0.57 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.54 3kow s VAL 584 Cb -0.32 -3.26 0.04 0.00 0.00 0.00 0.00 36.38 32.85 3kow s VAL 584 CO 0.32 0.36 0.02 -0.63 0.00 0.00 0.00 175.10 175.18 3kow s ILE 585 N 1.12 0.40 1.12 2.22 1.01 -1.26 -5.14 121.20 120.68 3kow s ILE 585 Ca 0.06 -0.13 -0.13 0.00 0.00 0.00 0.00 60.65 60.45 3kow s ILE 585 Cb -0.14 -0.71 0.23 0.00 0.01 0.00 0.00 42.46 41.85 3kow s ILE 585 CO 0.04 0.07 0.83 -0.81 0.00 0.00 0.00 174.94 175.08 3kow n PRO 586 N 5.12 -1.95 0.00 2.79 -0.04 -1.26 -5.32 135.00 134.34 3kow n PRO 586 Ca -0.08 -0.54 0.00 0.00 -0.04 0.00 0.00 63.50 62.85 3kow n PRO 586 Cb 0.49 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 3kow n PRO 586 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3kow n PRO 587 N -4.22 0.00 0.00 0.54 -0.02 -1.26 -5.33 135.00 124.70 3kow n PRO 587 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 3kow n PRO 587 Cb 0.55 -0.10 0.00 0.00 -0.02 0.00 0.00 33.50 33.93 3kow n PRO 587 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3kow n ILE 591 N -0.25 0.00 -3.71 4.25 -0.00 -1.26 -5.39 119.36 113.00 3kow n ILE 591 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 62.75 62.41 3kow n ILE 591 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 39.64 39.59 3kow n ILE 591 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 3kow s LEU 592 N 0.00 4.34 0.00 1.39 1.43 -1.26 -5.10 118.68 119.48 3kow s LEU 592 Ca 0.00 0.60 -0.04 0.00 -1.03 0.00 0.00 54.13 53.66 3kow s LEU 592 Cb 0.00 -2.89 0.06 0.00 0.03 0.00 0.00 46.19 43.39 3kow s LEU 592 CO 0.00 0.19 0.16 -1.54 0.23 0.00 0.00 176.35 175.39 3kow n SER 593 N 0.80 -2.01 -0.24 2.29 3.41 -1.26 -4.80 113.62 111.82 3kow n SER 593 Ca -0.08 -0.30 0.14 0.00 -0.26 0.00 0.00 58.87 58.37 3kow n SER 593 Cb 0.52 -0.17 0.62 0.00 -0.26 0.00 0.00 64.21 64.91 3kow n SER 593 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3kow n GLU 594 N -2.49 1.10 -0.00 4.33 0.00 -1.26 -3.24 120.64 119.09 3kow n GLU 594 Ca 0.02 -0.47 0.05 0.00 0.00 0.00 0.00 57.16 56.76 3kow n GLU 594 Cb 0.10 -1.49 -0.06 0.00 0.00 0.00 0.00 31.44 29.99 3kow n GLU 594 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3kow n ASP 595 N -0.53 0.85 0.13 -1.84 8.00 -1.26 -3.21 116.55 118.68 3kow n ASP 595 Ca 0.18 -0.61 0.12 0.00 0.71 0.00 0.00 54.79 55.18 3kow n ASP 595 Cb 0.28 1.08 0.04 0.00 -0.02 0.00 0.00 41.12 42.51 3kow n ASP 595 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3kow h GLU 596 N 0.00 0.00 0.04 -1.24 3.07 -1.89 -3.27 114.58 111.29 3kow h GLU 596 Ca 0.00 0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.49 3kow h GLU 596 Cb 0.29 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.15 3kow h GLU 596 CO 0.00 0.00 -2.21 -0.89 -1.40 0.00 0.00 179.01 174.51 3kow n ILE 597 N -2.77 1.59 1.08 3.13 2.08 -1.20 -3.45 119.36 119.82 3kow n ILE 597 Ca 0.01 -0.67 0.08 0.00 0.56 0.00 0.00 62.75 62.73 3kow n ILE 597 Cb 0.54 -1.34 0.46 0.00 -0.75 0.00 0.00 39.64 38.56 3kow n ILE 597 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 3kow n ARG 598 N -3.23 0.54 -0.04 0.38 0.63 -1.20 -1.71 116.66 112.03 3kow n ARG 598 Ca -0.36 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.54 3kow n ARG 598 Cb 1.04 -1.45 -0.07 0.00 0.45 0.00 0.00 32.46 32.43 3kow n ARG 598 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3kow n GLU 599 N -0.95 2.42 0.12 -0.14 1.02 -1.23 -3.30 120.64 118.57 3kow n GLU 599 Ca 0.12 -0.01 0.06 0.00 -0.02 0.00 0.00 57.16 57.30 3kow n GLU 599 Cb 0.05 -1.22 0.02 0.00 -0.02 0.00 0.00 31.44 30.27 3kow n GLU 599 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 3kow h ASP 600 N 0.00 0.00 0.00 1.62 3.58 -1.50 -3.17 116.42 116.96 3kow h ASP 600 Ca -0.22 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 56.86 3kow h ASP 600 Cb 1.45 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 42.43 3kow h ASP 600 CO 0.01 0.31 -2.42 -0.38 -2.88 0.00 0.00 179.24 173.88 3kow n ILE 601 N -2.98 1.43 0.77 2.25 5.41 -0.70 -3.19 119.36 122.35 3kow n ILE 601 Ca -0.01 -0.61 0.10 0.00 1.00 0.00 0.00 62.75 63.22 3kow n ILE 601 Cb 0.68 -1.20 0.46 0.00 -0.71 0.00 0.00 39.64 38.87 3kow n ILE 601 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3kow n GLU 602 N -3.13 0.06 -0.10 0.38 1.02 -1.21 -3.20 120.64 114.46 3kow n GLU 602 Ca -0.42 0.13 -0.17 0.00 -0.02 0.00 0.00 57.16 56.68 3kow n GLU 602 Cb 1.01 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.85 3kow n GLU 602 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3kow n LYS 603 N -1.46 0.47 -3.84 3.49 5.02 -1.20 -4.94 118.16 115.71 3kow n LYS 603 Ca 0.06 0.15 -0.36 0.00 -2.02 0.00 0.00 58.31 56.14 3kow n LYS 603 Cb 0.23 -1.33 -0.13 0.00 -0.02 0.00 0.00 35.03 33.77 3kow n LYS 603 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3kow s THR 604 N -2.39 3.46 0.68 -0.18 2.01 -1.19 -5.10 115.64 112.93 3kow s THR 604 Ca -0.28 -0.93 -0.17 0.00 0.31 0.00 0.00 61.69 60.63 3kow s THR 604 Cb 0.09 -2.82 -0.00 0.00 0.01 0.00 0.00 72.50 69.78 3kow s THR 604 CO 0.42 0.08 1.16 -2.65 -0.69 0.00 0.00 174.62 172.94 3kow n PRO 605 N 4.77 0.83 -3.51 4.92 -0.02 -1.25 -4.24 135.00 136.51 3kow n PRO 605 Ca -0.15 0.34 -0.19 0.00 -2.02 0.00 0.00 63.50 61.48 3kow n PRO 605 Cb 0.47 -2.40 -0.13 0.00 -0.02 0.00 0.00 33.50 31.41 3kow n PRO 605 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3kow s LEU 606 N -3.92 -0.04 -0.20 2.45 2.96 -1.26 -5.06 118.68 113.61 3kow s LEU 606 Ca 0.79 -0.30 -0.11 0.00 -0.22 0.00 0.00 54.13 54.28 3kow s LEU 606 Cb -0.37 0.29 -0.05 0.00 0.50 0.00 0.00 46.19 46.56 3kow s LEU 606 CO 0.44 -0.33 0.19 -0.75 -1.32 0.00 0.00 176.35 174.58 3kow s LYS 607 N 2.30 4.17 0.02 1.98 2.20 -1.26 -2.29 119.74 126.86 3kow s LYS 607 Ca 0.06 -0.14 0.08 0.00 -0.36 0.00 0.00 55.97 55.61 3kow s LYS 607 Cb -0.16 -3.46 -0.02 0.00 -1.51 0.00 0.00 37.83 32.68 3kow s LYS 607 CO -0.12 0.20 -0.24 0.42 -0.36 0.00 0.00 175.35 175.25 3kow s ILE 608 N 0.64 1.88 -0.21 5.43 1.09 -0.06 -1.53 121.20 128.44 3kow s ILE 608 Ca 0.10 -1.17 -0.02 0.00 -1.10 0.00 0.00 60.65 58.46 3kow s ILE 608 Cb -0.12 -1.60 -0.00 0.00 -1.06 0.00 0.00 42.46 39.68 3kow s ILE 608 CO 0.02 0.39 -0.09 0.68 -0.10 0.00 0.00 174.94 175.83 3kow s VAL 609 N -0.69 3.01 -0.03 2.92 -7.23 -0.44 0.43 120.40 118.37 3kow s VAL 609 Ca 0.09 -0.62 0.05 0.00 -1.81 0.00 0.00 61.98 59.70 3kow s VAL 609 Cb -0.09 -2.35 -0.01 0.00 0.56 0.00 0.00 36.38 34.49 3kow s VAL 609 CO 0.01 0.46 -0.19 0.00 -0.31 0.00 0.00 175.10 175.07 3kow s ALA 610 N 1.40 1.59 -0.14 1.32 0.00 -0.86 -1.41 121.76 123.65 3kow s ALA 610 Ca 0.05 -0.79 -0.29 0.00 0.00 0.00 0.00 51.96 50.93 3kow s ALA 610 Cb -0.14 -0.45 0.10 0.00 0.00 0.00 0.00 23.12 22.63 3kow s ALA 610 CO -0.06 0.35 0.84 0.00 0.00 0.00 0.00 175.76 176.90 3kow s ALA 611 N -0.27 -1.85 -0.50 0.00 0.00 -1.20 -0.57 121.76 117.37 3kow s ALA 611 Ca 0.03 1.57 -0.28 0.00 0.00 0.00 0.00 51.96 53.28 3kow s ALA 611 Cb -0.09 -0.57 0.01 0.00 0.00 0.00 0.00 23.12 22.46 3kow s ALA 611 CO 0.00 -0.33 1.49 0.99 0.00 0.00 0.00 175.76 177.92 3kow s THR 612 N -0.79 3.75 0.59 0.00 2.01 -0.57 -2.48 115.64 118.15 3kow s THR 612 Ca -0.05 0.69 -0.17 0.00 0.31 0.00 0.00 61.69 62.47 3kow s THR 612 Cb -0.01 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 3kow s THR 612 CO 0.04 -0.94 1.09 -0.69 -0.69 0.00 0.00 174.62 173.43 3kow s VAL 613 N 6.22 3.46 0.00 3.82 1.01 -0.42 -2.34 120.40 132.15 3kow s VAL 613 Ca 0.59 0.77 0.00 0.00 0.00 0.00 0.00 61.98 63.34 3kow s VAL 613 Cb -0.13 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.97 3kow s VAL 613 CO 0.28 -0.34 0.00 0.61 0.00 0.00 0.00 175.10 175.65 3kow n GLY 614 N -0.45 -0.21 1.71 4.51 0.00 -1.11 -3.80 105.19 105.84 3kow n GLY 614 Ca 0.10 -1.52 0.07 0.00 0.00 0.00 0.00 46.02 44.68 3kow n GLY 614 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kow n GLU 615 N 0.00 4.52 -2.21 1.61 1.02 -1.26 -3.75 120.64 120.58 3kow n GLU 615 Ca 0.00 -3.10 -0.39 0.00 -0.02 0.00 0.00 57.16 53.65 3kow n GLU 615 Cb 0.00 -2.18 -0.01 0.00 -0.02 0.00 0.00 31.44 29.23 3kow n GLU 615 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3kow s ASP 616 N -0.98 6.41 -0.01 1.62 3.68 -1.25 -4.81 116.67 121.33 3kow s ASP 616 Ca 0.52 2.45 0.12 0.00 2.13 0.00 0.00 52.55 57.78 3kow s ASP 616 Cb 0.40 -2.62 -0.16 0.00 -1.45 0.00 0.00 42.92 39.09 3kow s ASP 616 CO 0.15 -0.76 0.41 -0.62 0.13 0.00 0.00 175.17 174.48 3kow n GLU 617 N 0.04 1.81 -2.25 4.34 -0.58 -1.26 -2.30 120.64 120.44 3kow n GLU 617 Ca 0.04 -0.05 -0.42 0.00 -0.42 0.00 0.00 57.16 56.31 3kow n GLU 617 Cb 0.46 -1.18 -0.02 0.00 -0.57 0.00 0.00 31.44 30.12 3kow n GLU 617 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3kow s HIS 618 N -2.48 2.16 -0.84 -0.32 3.76 -1.26 -4.83 115.29 111.49 3kow s HIS 618 Ca 0.01 0.62 0.07 0.00 -0.15 0.00 0.00 55.06 55.61 3kow s HIS 618 Cb 0.09 -4.27 0.06 0.00 1.11 0.00 0.00 32.58 29.56 3kow s HIS 618 CO 0.51 -2.23 0.72 -1.13 -0.85 0.00 0.00 174.74 171.76 3kow n SER 619 N 9.72 1.57 0.06 1.40 3.41 -1.26 -4.66 113.62 123.87 3kow n SER 619 Ca 0.17 -1.29 -0.09 0.00 -0.26 0.00 0.00 58.87 57.41 3kow n SER 619 Cb 0.48 -0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.48 3kow n SER 619 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3kow h VAL 620 N 1.32 1.39 -0.01 -3.33 2.07 -1.99 -2.72 116.25 112.99 3kow h VAL 620 Ca 0.00 -2.15 -0.18 0.00 0.82 0.00 0.00 66.70 65.19 3kow h VAL 620 Cb 0.29 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 3kow h VAL 620 CO 0.00 0.64 -0.81 1.23 0.02 0.00 0.00 177.57 178.65 3kow h GLY 621 N 1.38 0.16 2.00 2.17 0.00 -2.00 -0.01 103.07 106.78 3kow h GLY 621 Ca -0.03 -0.27 -0.14 0.00 0.00 0.00 0.00 47.33 46.89 3kow h GLY 621 CO 0.12 0.24 -0.67 -2.00 0.00 0.00 0.00 176.54 174.23 3kow h LEU 622 N 0.09 0.00 0.00 3.11 5.85 -1.86 -3.10 115.31 119.40 3kow h LEU 622 Ca -0.03 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 3kow h LEU 622 Cb 1.41 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 3kow h LEU 622 CO 0.12 0.67 -0.58 0.03 -0.34 0.00 0.00 178.44 178.33 3kow h ARG 623 N 0.00 0.00 -0.24 1.25 3.08 -1.33 -3.13 114.38 114.01 3kow h ARG 623 Ca -0.01 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 3kow h ARG 623 Cb 1.33 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.37 3kow h ARG 623 CO 0.09 0.31 -0.46 0.93 -1.07 0.00 0.00 179.97 179.77 3kow h GLU 624 N 0.00 0.61 -0.33 0.04 4.39 -0.95 0.23 114.58 118.58 3kow h GLU 624 Ca -0.03 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.33 3kow h GLU 624 Cb 1.29 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 3kow h GLU 624 CO 0.04 0.94 0.00 1.33 -1.16 0.00 0.00 179.01 180.16 3kow n VAL 625 N -4.01 0.44 0.00 3.13 0.24 -1.18 -4.07 118.33 112.89 3kow n VAL 625 Ca -0.02 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 3kow n VAL 625 Cb 0.55 0.18 0.00 0.00 -1.47 0.00 0.00 33.84 33.10 3kow n VAL 625 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3kow n ILE 626 N 0.39 0.00 -2.62 1.34 5.41 -1.07 -2.29 119.36 120.52 3kow n ILE 626 Ca 0.10 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.45 3kow n ILE 626 Cb 0.27 -0.40 -0.05 0.00 -0.71 0.00 0.00 39.64 38.76 3kow n ILE 626 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 3kow s ASP 627 N -3.35 7.43 0.48 4.38 1.01 0.79 -2.30 116.67 125.12 3kow s ASP 627 Ca 0.00 2.03 0.23 0.00 0.71 0.00 0.00 52.55 55.52 3kow s ASP 627 Cb 0.00 -2.61 1.23 0.00 1.01 0.00 0.00 42.92 42.55 3kow s ASP 627 CO 0.00 -0.06 2.00 -0.29 0.21 0.00 0.00 175.17 177.04 3kow h ILE 628 N 3.47 0.75 -0.31 0.77 2.10 -1.88 0.12 117.51 122.53 3kow h ILE 628 Ca -0.45 -0.70 0.03 0.00 1.08 0.00 0.00 64.86 64.82 3kow h ILE 628 Cb 1.21 1.43 -0.06 0.00 -1.09 0.00 0.00 36.82 38.31 3kow h ILE 628 CO 0.70 0.17 -0.37 0.50 -1.08 0.00 0.00 178.15 178.07 3kow h LYS 629 N 0.00 -0.23 -0.88 2.19 1.63 -1.94 -2.05 116.57 115.28 3kow h LYS 629 Ca -0.00 0.02 -0.27 0.00 -0.85 0.00 0.00 60.65 59.54 3kow h LYS 629 Cb 0.41 0.05 -0.16 0.00 -0.60 0.00 0.00 32.23 31.93 3kow h LYS 629 CO 0.02 -0.15 0.35 0.72 -3.45 0.00 0.00 179.45 176.94 3kow n HIS 630 N -4.47 2.22 -2.46 1.91 8.25 -1.23 -4.86 115.22 114.57 3kow n HIS 630 Ca -0.02 -1.24 -0.00 0.00 -0.26 0.00 0.00 57.72 56.19 3kow n HIS 630 Cb 0.22 -0.68 0.00 0.00 1.12 0.00 0.00 29.99 30.65 3kow n HIS 630 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kow n GLY 631 N -0.37 0.87 3.62 -1.41 0.00 -0.77 -4.47 105.19 102.67 3kow n GLY 631 Ca 0.40 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 3kow n GLY 631 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kow s GLY 632 N -3.01 1.60 0.00 -0.02 0.00 0.40 -2.91 107.32 103.38 3kow s GLY 632 Ca 0.01 -0.99 0.09 0.00 0.00 0.00 0.00 44.72 43.84 3kow s GLY 632 CO 0.01 -0.11 1.15 0.29 0.00 0.00 0.00 173.10 174.45 3kow n ILE 633 N -4.69 0.00 0.09 0.90 -5.35 -0.97 -1.71 119.36 107.63 3kow n ILE 633 Ca 0.14 0.00 -0.07 0.00 -0.27 0.00 0.00 62.75 62.54 3kow n ILE 633 Cb 0.60 -0.32 0.02 0.00 -1.74 0.00 0.00 39.64 38.19 3kow n ILE 633 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3kow h GLU 634 N 0.00 0.17 0.00 6.28 4.81 -1.74 -2.70 114.58 121.40 3kow h GLU 634 Ca 0.00 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 3kow h GLU 634 Cb 0.00 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.43 3kow h GLU 634 CO 0.00 0.90 0.00 -0.22 -0.73 0.00 0.00 179.01 178.96 3kow h LYS 635 N 0.10 0.00 -0.01 1.92 3.64 -1.60 -2.00 116.57 118.63 3kow h LYS 635 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3kow h LYS 635 Cb 1.44 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.26 3kow h LYS 635 CO 0.12 0.00 -0.46 0.66 -2.27 0.00 0.00 179.45 177.50 3kow n TYR 636 N -2.33 0.00 -1.24 1.91 4.01 -1.11 -4.96 117.16 113.45 3kow n TYR 636 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 3kow n TYR 636 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.09 3kow n TYR 636 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kow n GLY 637 N 1.19 1.04 3.79 2.72 0.00 -0.75 -4.22 105.19 108.97 3kow n GLY 637 Ca 0.04 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 3kow n GLY 637 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kow s VAL 638 N -2.30 4.47 -0.65 1.61 1.01 -1.03 -4.73 120.40 118.77 3kow s VAL 638 Ca 0.00 1.52 -0.20 0.00 0.00 0.00 0.00 61.98 63.29 3kow s VAL 638 Cb 0.00 -4.02 0.09 0.00 0.00 0.00 0.00 36.38 32.45 3kow s VAL 638 CO 0.00 0.42 0.86 -0.70 0.00 0.00 0.00 175.10 175.68 3kow s GLU 639 N -1.43 3.13 -0.21 2.72 2.12 -0.97 -4.73 118.70 119.33 3kow s GLU 639 Ca 0.37 -1.15 -0.15 0.00 0.36 0.00 0.00 54.97 54.41 3kow s GLU 639 Cb -0.21 -4.30 -0.04 0.00 0.26 0.00 0.00 34.13 29.84 3kow s GLU 639 CO 0.24 -1.68 0.34 0.08 -0.54 0.00 0.00 175.26 173.69 3kow s VAL 640 N 3.28 5.23 -0.74 3.70 1.01 -1.26 -0.88 120.40 130.74 3kow s VAL 640 Ca 0.18 0.58 -0.15 0.00 0.00 0.00 0.00 61.98 62.59 3kow s VAL 640 Cb -0.19 -3.67 0.19 0.00 0.00 0.00 0.00 36.38 32.70 3kow s VAL 640 CO 0.06 0.27 0.70 -1.00 0.00 0.00 0.00 175.10 175.13 3kow s HIS 641 N 1.30 3.59 -0.18 5.22 3.76 0.17 -4.97 115.29 124.18 3kow s HIS 641 Ca 0.16 -1.76 -0.26 0.00 -0.15 0.00 0.00 55.06 53.06 3kow s HIS 641 Cb -0.14 -3.83 -0.01 0.00 1.11 0.00 0.00 32.58 29.71 3kow s HIS 641 CO 0.07 -1.01 0.86 -0.47 -0.85 0.00 0.00 174.74 173.34 3kow s TYR 642 N 0.68 3.40 -0.50 1.40 5.04 -1.26 -2.04 117.35 124.07 3kow s TYR 642 Ca 0.14 1.28 0.23 0.00 -2.44 0.00 0.00 57.07 56.28 3kow s TYR 642 Cb -0.16 -3.06 0.13 0.00 0.35 0.00 0.00 41.96 39.22 3kow s TYR 642 CO -0.05 -0.29 1.12 1.28 -1.34 0.00 0.00 175.55 176.27 3kow n LEU 643 N 5.47 0.68 0.00 6.97 4.77 0.26 -4.97 117.00 130.19 3kow n LEU 643 Ca 0.06 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 3kow n LEU 643 Cb 0.48 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3kow n LEU 643 CO 0.49 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3kow n GLY 644 N 1.30 -1.78 4.00 -0.72 0.00 -1.26 -4.91 105.19 101.82 3kow n GLY 644 Ca 0.02 -1.95 -0.23 0.00 0.00 0.00 0.00 46.02 43.85 3kow n GLY 644 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kow s THR 645 N 0.00 2.06 -1.18 2.61 -4.23 -1.26 -1.51 115.64 112.14 3kow s THR 645 Ca 0.00 -0.64 -0.15 0.00 -1.18 0.00 0.00 61.69 59.72 3kow s THR 645 Cb 0.00 -2.43 0.15 0.00 1.34 0.00 0.00 72.50 71.56 3kow s THR 645 CO 0.00 0.00 0.37 -1.20 -0.54 0.00 0.00 174.62 173.25 3kow n SER 646 N -2.83 -1.45 -4.72 3.99 7.64 -0.97 -4.85 113.62 110.43 3kow n SER 646 Ca 0.16 -0.63 -0.42 0.00 1.01 0.00 0.00 58.87 59.00 3kow n SER 646 Cb 0.61 -1.30 -0.03 0.00 -1.01 0.00 0.00 64.21 62.47 3kow n SER 646 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3kow s VAL 647 N -2.68 4.10 0.33 0.44 1.01 -1.20 -4.87 120.40 117.53 3kow s VAL 647 Ca 0.52 1.60 -0.29 0.00 0.00 0.00 0.00 61.98 63.82 3kow s VAL 647 Cb -0.31 -4.03 -0.11 0.00 0.00 0.00 0.00 36.38 31.93 3kow s VAL 647 CO 0.64 0.18 1.53 -2.65 0.00 0.00 0.00 175.10 174.80 3kow n PRO 648 N 3.37 2.65 0.00 2.72 -0.02 -1.26 -2.76 135.00 139.70 3kow n PRO 648 Ca 0.06 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 3kow n PRO 648 Cb 0.47 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 3kow n PRO 648 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3kow n VAL 649 N 1.32 0.00 -0.06 -1.45 0.31 -1.26 -1.66 118.33 115.53 3kow n VAL 649 Ca 0.05 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.26 3kow n VAL 649 Cb 0.37 -0.68 -0.04 0.00 -0.91 0.00 0.00 33.84 32.58 3kow n VAL 649 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3kow n GLU 650 N -0.55 0.30 -0.16 5.55 2.13 -1.26 -4.37 120.64 122.28 3kow n GLU 650 Ca 0.00 0.13 0.24 0.00 0.66 0.00 0.00 57.16 58.19 3kow n GLU 650 Cb 0.00 -1.01 0.66 0.00 0.27 0.00 0.00 31.44 31.36 3kow n GLU 650 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 3kow h LYS 651 N -0.52 0.11 0.00 5.31 3.64 -1.68 0.89 116.57 124.32 3kow h LYS 651 Ca -0.24 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.12 3kow h LYS 651 Cb 1.04 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.84 3kow h LYS 651 CO -0.15 0.07 -0.07 1.25 -2.27 0.00 0.00 179.45 178.29 3kow h LEU 652 N 0.11 0.00 -0.04 5.20 5.85 -1.81 -2.51 115.31 122.11 3kow h LEU 652 Ca 0.40 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.87 3kow h LEU 652 Cb 1.43 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.46 3kow h LEU 652 CO -0.05 0.07 -1.08 0.58 -0.34 0.00 0.00 178.44 177.61 3kow h VAL 653 N 0.00 1.43 -0.04 1.05 2.07 0.60 -3.32 116.25 118.05 3kow h VAL 653 Ca -0.00 -2.69 -0.03 0.00 0.82 0.00 0.00 66.70 64.80 3kow h VAL 653 Cb 0.83 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 33.25 3kow h VAL 653 CO 0.01 0.80 -0.08 0.44 0.02 0.00 0.00 177.57 178.76 3kow h ASP 654 N 0.17 0.13 0.00 0.57 3.32 -1.40 -3.10 116.42 116.12 3kow h ASP 654 Ca -0.11 -0.58 0.00 0.00 0.02 0.00 0.00 57.03 56.36 3kow h ASP 654 Cb 1.76 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 41.27 3kow h ASP 654 CO 0.18 0.69 0.49 0.00 -1.72 0.00 0.00 179.24 178.88 3kow h ALA 655 N 0.45 1.40 0.00 3.45 0.00 -1.56 0.41 119.26 123.40 3kow h ALA 655 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 3kow h ALA 655 Cb 0.67 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3kow h ALA 655 CO 0.02 -0.40 -1.17 0.00 0.00 0.00 0.00 179.25 177.70 3kow h ALA 656 N 0.83 0.52 0.04 0.00 0.00 -1.63 -3.19 119.26 115.83 3kow h ALA 656 Ca 0.00 -1.02 -0.37 0.00 0.00 0.00 0.00 54.91 53.52 3kow h ALA 656 Cb 0.98 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 3kow h ALA 656 CO 0.00 1.26 -2.27 0.44 0.00 0.00 0.00 179.25 178.68 3kow n ILE 657 N -3.23 1.59 0.56 0.00 -5.35 0.11 0.23 119.36 113.26 3kow n ILE 657 Ca -0.05 -0.64 0.00 0.00 -0.27 0.00 0.00 62.75 61.79 3kow n ILE 657 Cb 0.95 -1.43 0.00 0.00 -1.74 0.00 0.00 39.64 37.42 3kow n ILE 657 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3kow n GLU 658 N -3.28 0.56 0.00 6.28 1.02 0.82 -1.80 120.64 124.23 3kow n GLU 658 Ca -0.39 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.75 3kow n GLU 658 Cb 1.03 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 31.18 3kow n GLU 658 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3kow n LEU 659 N 0.36 0.00 -3.91 -4.62 4.77 -1.20 -4.90 117.00 107.49 3kow n LEU 659 Ca 0.00 -0.18 -0.35 0.00 -0.03 0.00 0.00 56.01 55.45 3kow n LEU 659 Cb 0.18 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.28 3kow n LEU 659 CO 0.00 0.29 -0.17 2.29 -1.33 0.00 0.00 177.39 178.48 3kow n LYS 660 N 0.00 -1.37 -2.37 3.23 2.85 -0.75 -4.90 118.16 114.85 3kow n LYS 660 Ca 0.00 0.30 -0.41 0.00 -1.05 0.00 0.00 58.31 57.15 3kow n LYS 660 Cb 0.36 -3.71 -0.03 0.00 -0.65 0.00 0.00 35.03 31.00 3kow n LYS 660 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kow s ALA 661 N -3.67 3.44 -0.08 0.58 0.00 0.62 -4.89 121.76 117.77 3kow s ALA 661 Ca 0.34 0.94 -0.25 0.00 0.00 0.00 0.00 51.96 52.99 3kow s ALA 661 Cb -0.15 -3.43 -0.27 0.00 0.00 0.00 0.00 23.12 19.27 3kow s ALA 661 CO 0.91 -0.41 0.91 -0.44 0.00 0.00 0.00 175.76 176.73 3kow h ASP 662 N 5.75 0.24 -4.01 0.00 3.32 -1.56 -3.44 116.42 116.73 3kow h ASP 662 Ca -0.44 -0.90 -0.48 0.00 0.02 0.00 0.00 57.03 55.23 3kow h ASP 662 Cb 1.21 -0.08 -0.30 0.00 0.22 0.00 0.00 39.33 40.39 3kow h ASP 662 CO 0.77 1.12 -0.81 0.00 -1.72 0.00 0.00 179.24 178.60 3kow s ALA 663 N -2.63 1.14 -0.48 3.45 0.00 -0.99 -0.70 121.76 121.55 3kow s ALA 663 Ca -0.16 -0.53 -0.15 0.00 0.00 0.00 0.00 51.96 51.12 3kow s ALA 663 Cb -0.00 -0.35 0.09 0.00 0.00 0.00 0.00 23.12 22.85 3kow s ALA 663 CO 0.76 0.23 0.41 0.42 0.00 0.00 0.00 175.76 177.58 3kow s ILE 664 N -0.08 5.14 -0.47 0.00 1.01 0.35 -1.33 121.20 125.82 3kow s ILE 664 Ca 0.01 -1.20 -0.13 0.00 0.00 0.00 0.00 60.65 59.32 3kow s ILE 664 Cb -0.08 -4.13 0.09 0.00 0.01 0.00 0.00 42.46 38.35 3kow s ILE 664 CO 0.00 -0.64 0.38 -0.76 0.00 0.00 0.00 174.94 173.92 3kow s LEU 665 N 1.61 5.64 -0.03 2.97 1.43 -0.50 -2.90 118.68 126.90 3kow s LEU 665 Ca 0.04 -1.54 -0.03 0.00 -1.03 0.00 0.00 54.13 51.57 3kow s LEU 665 Cb -0.26 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 3kow s LEU 665 CO 0.05 -0.67 0.15 0.00 0.23 0.00 0.00 176.35 176.11 3kow s ALA 666 N 1.55 3.86 -0.09 4.21 0.00 -1.09 -3.23 121.76 126.96 3kow s ALA 666 Ca 0.04 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.28 3kow s ALA 666 Cb -0.25 -1.84 -0.01 0.00 0.00 0.00 0.00 23.12 21.01 3kow s ALA 666 CO 0.04 0.71 -0.21 0.45 0.00 0.00 0.00 175.76 176.75 3kow s SER 667 N -1.68 3.40 -0.34 0.00 0.15 -1.04 -2.37 113.70 111.83 3kow s SER 667 Ca 0.23 -0.45 -0.00 0.00 0.70 0.00 0.00 55.95 56.43 3kow s SER 667 Cb -0.12 -1.24 0.13 0.00 -1.71 0.00 0.00 66.02 63.08 3kow s SER 667 CO 0.14 0.20 0.21 0.28 1.20 0.00 0.00 173.24 175.28 3kow s THR 668 N 0.09 0.05 -0.03 6.45 -1.32 -0.70 -1.29 115.64 118.89 3kow s THR 668 Ca -0.10 -1.47 -0.03 0.00 -1.21 0.00 0.00 61.69 58.88 3kow s THR 668 Cb -0.16 -1.05 -0.02 0.00 -1.51 0.00 0.00 72.50 69.77 3kow s THR 668 CO 0.06 -0.91 0.23 0.40 -2.21 0.00 0.00 174.62 172.19 3kow h ILE 669 N 5.27 0.00 -2.03 5.08 1.08 -1.86 -3.37 117.51 121.68 3kow h ILE 669 Ca 0.01 -0.31 -0.64 0.00 -0.39 0.00 0.00 64.86 63.53 3kow h ILE 669 Cb 0.98 0.00 0.07 0.00 -3.07 0.00 0.00 36.82 34.80 3kow h ILE 669 CO 0.29 0.00 0.48 -0.38 -0.69 0.00 0.00 178.15 177.85 3kow n ILE 670 N -3.14 0.43 -0.48 -0.67 5.41 -1.26 -4.45 119.36 115.20 3kow n ILE 670 Ca -0.01 -0.11 0.00 0.00 1.00 0.00 0.00 62.75 63.63 3kow n ILE 670 Cb 0.04 -1.06 0.00 0.00 -0.71 0.00 0.00 39.64 37.91 3kow n ILE 670 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3kow n SER 671 N 2.47 1.01 -4.68 4.38 3.41 -1.26 -4.18 113.62 114.76 3kow n SER 671 Ca 0.16 -1.49 -0.43 0.00 -0.26 0.00 0.00 58.87 56.85 3kow n SER 671 Cb 0.25 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.16 3kow n SER 671 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3kow n HIS 672 N -0.24 2.53 0.00 7.33 -0.00 -1.26 -2.40 115.22 121.18 3kow n HIS 672 Ca 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 57.72 57.59 3kow n HIS 672 Cb 0.35 -2.72 0.00 0.00 -0.00 0.00 0.00 29.99 27.62 3kow n HIS 672 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 3kow n ASP 673 N 5.90 0.00 -0.10 0.26 -0.08 -1.26 -3.23 116.55 118.04 3kow n ASP 673 Ca 0.19 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.47 3kow n ASP 673 Cb 0.36 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.82 3kow n ASP 673 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3kow n ASP 674 N 0.00 -0.94 0.00 1.67 10.43 -1.01 -4.94 116.55 121.77 3kow n ASP 674 Ca 0.00 0.00 0.08 0.00 2.57 0.00 0.00 54.79 57.44 3kow n ASP 674 Cb 0.00 -0.36 0.41 0.00 1.84 0.00 0.00 41.12 43.01 3kow n ASP 674 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3kow n ILE 675 N -2.79 0.59 -0.08 0.53 0.13 -1.20 -2.91 119.36 113.63 3kow n ILE 675 Ca 0.00 0.15 -0.10 0.00 -1.10 0.00 0.00 62.75 61.70 3kow n ILE 675 Cb 0.36 -0.86 -0.15 0.00 -0.84 0.00 0.00 39.64 38.15 3kow n ILE 675 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3kow n HIS 676 N -1.34 0.24 0.05 9.51 1.44 -1.26 -3.43 115.22 120.42 3kow n HIS 676 Ca 0.07 0.09 -0.04 0.00 -2.01 0.00 0.00 57.72 55.82 3kow n HIS 676 Cb 0.15 -1.04 -0.09 0.00 0.12 0.00 0.00 29.99 29.13 3kow n HIS 676 CO 0.00 0.00 0.00 1.88 -2.81 0.00 0.00 176.34 175.41 3kow h TYR 677 N 0.00 0.00 0.53 -1.40 0.05 -1.91 -3.33 116.97 110.91 3kow h TYR 677 Ca -0.49 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.27 3kow h TYR 677 Cb 2.19 0.00 0.01 0.00 1.01 0.00 0.00 36.73 39.94 3kow h TYR 677 CO 0.00 0.83 -0.26 0.87 -1.05 0.00 0.00 178.16 178.56 3kow h LYS 678 N 0.00 -0.69 -1.13 4.88 1.57 -1.71 -3.15 116.57 116.34 3kow h LYS 678 Ca -0.11 0.05 0.42 0.00 -1.87 0.00 0.00 60.65 59.13 3kow h LYS 678 Cb 1.73 0.16 -0.16 0.00 0.08 0.00 0.00 32.23 34.04 3kow h LYS 678 CO 0.09 -0.39 0.66 -0.91 -0.57 0.00 0.00 179.45 178.33 3kow h ASN 679 N -0.92 0.31 -0.05 0.86 2.35 -1.69 0.25 115.58 116.70 3kow h ASN 679 Ca -0.07 0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.88 3kow h ASN 679 Cb 0.62 0.20 -0.00 0.00 0.05 0.00 0.00 38.32 39.19 3kow h ASN 679 CO 0.12 -0.31 0.01 0.24 -1.65 0.00 0.00 177.43 175.84 3kow h MET 680 N 0.07 0.08 0.00 0.81 2.86 -1.66 -1.43 114.93 115.66 3kow h MET 680 Ca 0.83 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 58.41 3kow h MET 680 Cb 2.33 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.97 3kow h MET 680 CO -0.63 0.29 -0.22 -0.22 1.06 0.00 0.00 176.91 177.20 3kow h LYS 681 N -0.14 0.00 -0.28 1.72 3.64 -1.01 -1.93 116.57 118.57 3kow h LYS 681 Ca 0.02 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.26 3kow h LYS 681 Cb 0.25 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3kow h LYS 681 CO 0.00 0.22 -0.34 0.00 -2.27 0.00 0.00 179.45 177.06 3kow h ARG 682 N 0.00 0.73 -1.40 1.90 3.08 -1.37 0.11 114.38 117.43 3kow h ARG 682 Ca -0.00 -0.41 -0.05 0.00 0.07 0.00 0.00 59.98 59.59 3kow h ARG 682 Cb 0.75 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 3kow h ARG 682 CO 0.03 1.03 0.07 -0.89 -1.07 0.00 0.00 179.97 179.13 3kow n ILE 683 N -4.22 1.60 -0.02 2.04 5.41 -0.54 -0.79 119.36 122.84 3kow n ILE 683 Ca -0.04 -0.40 0.00 0.00 1.00 0.00 0.00 62.75 63.31 3kow n ILE 683 Cb 0.51 -1.18 0.00 0.00 -0.71 0.00 0.00 39.64 38.26 3kow n ILE 683 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 3kow n HIS 684 N 0.76 0.00 -0.08 1.39 -0.00 -0.97 -4.86 115.22 111.47 3kow n HIS 684 Ca 0.05 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.15 3kow n HIS 684 Cb 0.56 0.00 -0.12 0.00 -0.12 0.00 0.00 29.99 30.31 3kow n HIS 684 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 3kow n GLU 685 N 0.00 1.32 0.00 1.57 1.02 0.36 -3.36 120.64 121.55 3kow n GLU 685 Ca 0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3kow n GLU 685 Cb 0.00 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 3kow n GLU 685 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3kow n LEU 686 N -2.63 0.46 0.00 -4.62 4.77 0.03 -3.07 117.00 111.94 3kow n LEU 686 Ca -0.27 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 3kow n LEU 686 Cb 1.01 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.87 3kow n LEU 686 CO 0.33 0.12 -0.44 0.00 -1.33 0.00 0.00 177.39 176.07 3kow n ALA 687 N -0.14 1.90 0.50 -1.18 0.00 -1.25 -4.17 120.51 116.16 3kow n ALA 687 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 3kow n ALA 687 Cb 0.12 0.26 0.27 0.00 0.00 0.00 0.00 19.45 20.09 3kow n ALA 687 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kow h VAL 688 N 0.00 0.00 0.00 0.00 2.07 -1.61 -3.15 116.25 113.56 3kow h VAL 688 Ca 0.00 -0.62 -0.12 0.00 0.82 0.00 0.00 66.70 66.79 3kow h VAL 688 Cb 0.88 1.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 3kow h VAL 688 CO 0.00 0.00 -0.56 -0.08 0.02 0.00 0.00 177.57 176.95 3kow h GLU 689 N 0.00 0.00 -0.68 1.57 4.81 -1.77 -3.05 114.58 115.46 3kow h GLU 689 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3kow h GLU 689 Cb 0.81 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.19 3kow h GLU 689 CO 0.00 0.56 0.00 1.63 -0.73 0.00 0.00 179.01 180.47 3kow n LYS 690 N -3.56 3.07 -3.74 1.92 4.76 -1.20 -4.99 118.16 114.43 3kow n LYS 690 Ca -0.00 -2.62 -0.25 0.00 -2.87 0.00 0.00 58.31 52.57 3kow n LYS 690 Cb 0.63 -1.69 0.02 0.00 -1.84 0.00 0.00 35.03 32.15 3kow n LYS 690 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kow n GLY 691 N 1.39 -0.51 0.00 0.72 0.00 -1.16 -4.89 105.19 100.74 3kow n GLY 691 Ca 0.24 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.51 3kow n GLY 691 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kow n ILE 692 N -4.23 0.09 0.84 -0.61 -5.35 -1.20 -4.92 119.36 103.97 3kow n ILE 692 Ca -0.23 -0.17 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 3kow n ILE 692 Cb 0.65 1.45 0.00 0.00 -1.74 0.00 0.00 39.64 40.00 3kow n ILE 692 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 3kow n ARG 693 N -0.04 0.61 -0.01 6.28 3.00 -1.25 -1.54 116.66 123.70 3kow n ARG 693 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.85 57.86 3kow n ARG 693 Cb 0.27 -1.19 -0.05 0.00 0.00 0.00 0.00 32.46 31.50 3kow n ARG 693 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 3kow n ASP 694 N -0.06 3.62 -0.01 6.15 5.75 -1.26 -4.70 116.55 126.04 3kow n ASP 694 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 54.79 54.80 3kow n ASP 694 Cb 0.10 1.01 -0.04 0.00 -1.03 0.00 0.00 41.12 41.16 3kow n ASP 694 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3kow n LYS 695 N -1.92 0.66 -2.92 0.11 5.02 -1.04 -4.97 118.16 113.10 3kow n LYS 695 Ca -0.04 -0.04 -0.41 0.00 -2.02 0.00 0.00 58.31 55.80 3kow n LYS 695 Cb 0.38 -1.11 -0.04 0.00 -0.02 0.00 0.00 35.03 34.23 3kow n LYS 695 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3kow s ILE 696 N -2.29 4.93 -0.15 -0.18 2.07 -0.59 -4.76 121.20 120.24 3kow s ILE 696 Ca -0.02 1.63 -0.05 0.00 -1.41 0.00 0.00 60.65 60.79 3kow s ILE 696 Cb 0.03 -4.13 -0.04 0.00 0.13 0.00 0.00 42.46 38.45 3kow s ILE 696 CO 0.19 0.12 0.04 -0.04 -1.91 0.00 0.00 174.94 173.34 3kow s MET 697 N 1.55 3.64 -0.26 3.50 -1.94 0.12 -4.75 119.30 121.17 3kow s MET 697 Ca 0.40 -0.36 -0.00 0.00 -1.71 0.00 0.00 55.69 54.01 3kow s MET 697 Cb -0.18 -3.06 0.04 0.00 2.01 0.00 0.00 34.83 33.64 3kow s MET 697 CO 0.16 0.43 -0.07 0.42 -0.01 0.00 0.00 175.02 175.95 3kow s ILE 698 N -0.08 2.68 0.31 2.53 1.01 -1.26 -0.49 121.20 125.90 3kow s ILE 698 Ca 0.06 -1.24 0.08 0.00 0.00 0.00 0.00 60.65 59.55 3kow s ILE 698 Cb -0.12 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 39.88 3kow s ILE 698 CO 0.01 0.10 0.20 -0.83 0.00 0.00 0.00 174.94 174.43 3kow s GLY 699 N 1.26 1.74 -0.20 6.18 0.00 -1.14 -1.11 107.32 114.05 3kow s GLY 699 Ca -0.03 -1.66 -0.18 0.00 0.00 0.00 0.00 44.72 42.85 3kow s GLY 699 CO -0.04 -1.62 0.54 0.00 0.00 0.00 0.00 173.10 171.97 3kow s GLY 701 N 0.35 2.85 0.00 0.00 0.00 -1.00 -1.81 107.32 107.71 3kow s GLY 701 Ca -0.01 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 43.94 3kow s GLY 701 CO -0.00 -2.07 0.00 0.61 0.00 0.00 0.00 173.10 171.64 3kow n GLY 702 N -1.13 4.08 0.37 0.20 0.00 -1.08 -1.72 105.19 105.91 3kow n GLY 702 Ca -0.14 -0.55 -0.02 0.00 0.00 0.00 0.00 46.02 45.31 3kow n GLY 702 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3kow h THR 703 N 2.16 1.25 -1.88 2.61 2.02 -1.81 -2.40 112.91 114.87 3kow h THR 703 Ca 0.00 -0.49 -0.75 0.00 0.77 0.00 0.00 66.41 65.94 3kow h THR 703 Cb 0.00 -0.16 -0.24 0.00 -1.74 0.00 0.00 68.15 66.01 3kow h THR 703 CO 0.00 0.25 1.14 0.00 0.37 0.00 0.00 175.52 177.28 3kow n GLN 704 N -4.38 4.00 -3.86 6.66 1.13 -1.26 -4.40 117.38 115.28 3kow n GLN 704 Ca 0.11 -3.83 -0.19 0.00 -1.94 0.00 0.00 57.00 51.15 3kow n GLN 704 Cb 0.03 -2.38 -0.17 0.00 0.11 0.00 0.00 30.24 27.83 3kow n GLN 704 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3kow s VAL 705 N -3.97 0.20 -0.18 5.09 1.01 -0.90 -4.98 120.40 116.67 3kow s VAL 705 Ca 0.48 0.14 -0.07 0.00 0.00 0.00 0.00 61.98 62.53 3kow s VAL 705 Cb 0.30 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 36.30 3kow s VAL 705 CO -0.24 0.19 0.06 -0.89 0.00 0.00 0.00 175.10 174.21 3kow s THR 706 N 1.47 4.70 -1.75 3.92 2.01 -1.26 -3.95 115.64 120.78 3kow s THR 706 Ca -0.03 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.90 3kow s THR 706 Cb -0.13 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.26 3kow s THR 706 CO -0.03 0.46 0.25 -2.65 -0.69 0.00 0.00 174.62 171.96 3kow n PRO 707 N 3.60 0.00 -0.03 4.92 -0.02 -1.26 -1.79 135.00 140.43 3kow n PRO 707 Ca -0.17 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.29 3kow n PRO 707 Cb 0.52 -1.29 -0.04 0.00 -0.02 0.00 0.00 33.50 32.67 3kow n PRO 707 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kow n GLU 708 N -0.73 2.76 0.06 -0.52 4.71 -1.26 -4.01 120.64 121.65 3kow n GLU 708 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.16 57.06 3kow n GLU 708 Cb 0.00 -1.14 -0.13 0.00 -1.01 0.00 0.00 31.44 29.17 3kow n GLU 708 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3kow h VAL 709 N 0.00 1.51 -0.03 2.62 2.07 -1.73 -2.79 116.25 117.91 3kow h VAL 709 Ca -0.15 -3.21 -0.02 0.00 0.82 0.00 0.00 66.70 64.14 3kow h VAL 709 Cb 1.32 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 33.89 3kow h VAL 709 CO 0.00 0.88 -0.06 0.00 0.02 0.00 0.00 177.57 178.41 3kow h ALA 710 N 0.88 0.04 -1.00 1.67 0.00 -1.64 -2.99 119.26 116.23 3kow h ALA 710 Ca -0.09 -0.32 0.29 0.00 0.00 0.00 0.00 54.91 54.78 3kow h ALA 710 Cb 1.86 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.60 3kow h ALA 710 CO 0.14 -0.11 0.72 0.28 0.00 0.00 0.00 179.25 180.27 3kow h VAL 711 N -0.46 0.51 -0.96 0.00 2.07 -1.69 -0.56 116.25 115.15 3kow h VAL 711 Ca -0.00 -0.01 -0.63 0.00 0.82 0.00 0.00 66.70 66.88 3kow h VAL 711 Cb 0.66 0.47 -0.30 0.00 -1.52 0.00 0.00 31.29 30.60 3kow h VAL 711 CO 0.01 0.01 0.67 0.29 0.02 0.00 0.00 177.57 178.57 3kow n LYS 712 N -4.27 2.69 -0.00 1.57 5.02 -1.05 -3.74 118.16 118.38 3kow n LYS 712 Ca 0.21 -3.33 0.07 0.00 -2.02 0.00 0.00 58.31 53.25 3kow n LYS 712 Cb 1.05 -2.26 -0.10 0.00 -0.02 0.00 0.00 35.03 33.69 3kow n LYS 712 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3kow n GLN 713 N -0.94 1.29 0.00 1.97 1.13 -0.22 -4.97 117.38 115.64 3kow n GLN 713 Ca 0.60 -0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.59 3kow n GLN 713 Cb 0.84 -1.29 0.00 0.00 0.11 0.00 0.00 30.24 29.91 3kow n GLN 713 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kow n GLY 714 N 1.48 1.83 3.76 1.08 0.00 -1.25 -4.65 105.19 107.44 3kow n GLY 714 Ca 0.00 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 3kow n GLY 714 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kow s VAL 715 N -0.44 2.97 -2.06 1.61 -7.23 -1.26 -4.93 120.40 109.05 3kow s VAL 715 Ca 0.00 0.47 0.30 0.00 -1.81 0.00 0.00 61.98 60.94 3kow s VAL 715 Cb 0.00 -3.01 0.74 0.00 0.56 0.00 0.00 36.38 34.68 3kow s VAL 715 CO 0.00 -0.26 2.05 0.47 -0.31 0.00 0.00 175.10 177.05 3kow n ASP 716 N -2.41 0.45 -3.60 4.85 8.00 -0.26 -4.39 116.55 119.20 3kow n ASP 716 Ca 0.11 -1.04 0.01 0.00 0.71 0.00 0.00 54.79 54.58 3kow n ASP 716 Cb 0.51 -0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.59 3kow n ASP 716 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kow s ALA 717 N -2.08 -2.31 0.08 2.24 0.00 -1.23 -4.98 121.76 113.48 3kow s ALA 717 Ca 0.42 1.04 -0.04 0.00 0.00 0.00 0.00 51.96 53.38 3kow s ALA 717 Cb 0.21 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.48 3kow s ALA 717 CO 0.38 -0.94 0.07 0.20 0.00 0.00 0.00 175.76 175.46 3kow s GLY 718 N -2.78 0.39 -0.09 0.00 0.00 -1.26 -3.21 107.32 100.37 3kow s GLY 718 Ca 0.14 -1.02 -0.05 0.00 0.00 0.00 0.00 44.72 43.78 3kow s GLY 718 CO -0.05 -1.13 0.22 -1.36 0.00 0.00 0.00 173.10 170.79 3kow s PHE 719 N -3.91 -0.28 0.00 1.90 0.08 -0.75 -4.48 117.98 110.53 3kow s PHE 719 Ca 0.08 0.69 0.00 0.00 0.12 0.00 0.00 56.93 57.82 3kow s PHE 719 Cb 0.07 0.04 0.00 0.00 -0.57 0.00 0.00 43.02 42.55 3kow s PHE 719 CO -0.09 -0.19 0.00 0.41 -0.10 0.00 0.00 175.22 175.25 3kow n GLY 720 N 3.91 4.94 3.61 4.36 0.00 -1.25 -2.63 105.19 118.12 3kow n GLY 720 Ca -0.22 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 43.70 3kow n GLY 720 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kow s ARG 721 N 4.23 3.63 0.00 1.61 0.52 -1.26 -3.00 118.95 124.68 3kow s ARG 721 Ca 0.00 1.40 0.00 0.00 -0.52 0.00 0.00 55.73 56.61 3kow s ARG 721 Cb 0.00 -4.06 0.00 0.00 0.52 0.00 0.00 34.95 31.41 3kow s ARG 721 CO 0.00 -1.49 0.00 0.41 0.02 0.00 0.00 175.30 174.24 3kow n GLY 722 N 4.93 1.69 3.57 -3.53 0.00 -1.26 -5.04 105.19 105.56 3kow n GLY 722 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3kow n GLY 722 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kow s SER 723 N -2.00 5.58 0.98 1.61 0.01 -1.16 -4.98 113.70 113.73 3kow s SER 723 Ca 0.00 0.67 -0.12 0.00 1.31 0.00 0.00 55.95 57.80 3kow s SER 723 Cb 0.00 -2.53 0.18 0.00 0.21 0.00 0.00 66.02 63.88 3kow s SER 723 CO 0.00 -2.07 1.11 -0.75 0.41 0.00 0.00 173.24 171.93 3kow s LYS 724 N 6.39 0.58 0.08 12.44 2.20 -1.26 -4.68 119.74 135.48 3kow s LYS 724 Ca 0.70 0.42 -0.20 0.00 -0.36 0.00 0.00 55.97 56.53 3kow s LYS 724 Cb -0.16 -1.76 -0.10 0.00 -1.51 0.00 0.00 37.83 34.30 3kow s LYS 724 CO 0.26 -2.61 1.54 0.78 -0.36 0.00 0.00 175.35 174.95 3kow h GLY 725 N -1.80 0.36 0.47 5.54 0.00 -1.75 -3.22 103.07 102.66 3kow h GLY 725 Ca -0.54 -0.24 0.12 0.00 0.00 0.00 0.00 47.33 46.67 3kow h GLY 725 CO 0.59 0.23 0.65 1.19 0.00 0.00 0.00 176.54 179.20 3kow h ILE 726 N 0.12 0.17 0.12 2.60 6.09 -1.89 -1.95 117.51 122.77 3kow h ILE 726 Ca 0.06 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.54 3kow h ILE 726 Cb 0.33 0.44 0.00 0.00 0.47 0.00 0.00 36.82 38.07 3kow h ILE 726 CO 0.01 0.00 -0.06 0.45 -3.07 0.00 0.00 178.15 175.48 3kow h HIS 727 N 0.00 -0.15 -0.09 2.19 3.86 -1.93 -1.96 115.15 117.07 3kow h HIS 727 Ca 0.20 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.43 3kow h HIS 727 Cb 1.50 0.05 -0.00 0.00 1.06 0.00 0.00 27.41 30.01 3kow h HIS 727 CO 0.00 0.31 0.12 0.28 0.86 0.00 0.00 177.93 179.50 3kow h VAL 728 N -0.90 0.43 0.02 2.45 2.07 -1.50 -1.78 116.25 117.04 3kow h VAL 728 Ca -0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 3kow h VAL 728 Cb 0.53 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3kow h VAL 728 CO 0.03 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.61 3kow h ALA 729 N 1.85 -0.03 -0.98 1.67 0.00 -1.54 -2.78 119.26 117.46 3kow h ALA 729 Ca 0.04 -0.24 0.26 0.00 0.00 0.00 0.00 54.91 54.97 3kow h ALA 729 Cb 0.28 0.01 -0.18 0.00 0.00 0.00 0.00 17.79 17.90 3kow h ALA 729 CO -0.00 -0.03 0.01 1.15 0.00 0.00 0.00 179.25 180.37 3kow h THR 730 N -0.99 0.04 0.00 0.00 2.02 -0.87 0.60 112.91 113.71 3kow h THR 730 Ca -0.00 -0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.09 3kow h THR 730 Cb 0.50 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 3kow h THR 730 CO 0.00 0.00 -0.39 0.15 0.37 0.00 0.00 175.52 175.66 3kow h PHE 731 N 0.01 0.00 0.00 3.16 3.57 -1.43 -2.45 116.94 119.80 3kow h PHE 731 Ca 0.58 0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.08 3kow h PHE 731 Cb 1.17 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.91 3kow h PHE 731 CO -0.51 0.39 0.00 1.28 -2.23 0.00 0.00 178.31 177.24 3kow n LEU 732 N -3.74 0.46 0.24 0.59 4.77 0.20 -1.18 117.00 118.35 3kow n LEU 732 Ca -0.01 0.60 0.12 0.00 -0.03 0.00 0.00 56.01 56.69 3kow n LEU 732 Cb 0.47 -0.34 0.62 0.00 -2.33 0.00 0.00 43.42 41.84 3kow n LEU 732 CO 0.37 -0.34 0.96 -0.37 -1.33 0.00 0.00 177.39 176.68 3kow h VAL 733 N 0.00 0.00 0.04 4.08 -1.51 -1.40 -2.37 116.25 115.08 3kow h VAL 733 Ca 0.00 0.00 -0.38 0.00 -1.23 0.00 0.00 66.70 65.09 3kow h VAL 733 Cb 0.00 0.51 -0.05 0.00 -2.13 0.00 0.00 31.29 29.62 3kow h VAL 733 CO 0.00 0.00 -2.18 0.29 -1.23 0.00 0.00 177.57 174.45 3kow n LYS 734 N -2.48 0.66 0.00 5.19 5.02 -0.92 -2.71 118.16 122.92 3kow n LYS 734 Ca -0.02 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 3kow n LYS 734 Cb 0.30 -1.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 3kow n LYS 734 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3kow n LYS 735 N -3.68 0.85 0.02 1.97 3.00 -0.32 -2.42 118.16 117.58 3kow n LYS 735 Ca -0.41 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 57.88 3kow n LYS 735 Cb 0.94 -1.43 -0.01 0.00 0.00 0.00 0.00 35.03 34.54 3kow n LYS 735 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3kow n ARG 736 N 0.07 0.07 0.04 1.64 0.63 -0.94 -4.41 116.66 113.77 3kow n ARG 736 Ca 0.00 0.03 0.02 0.00 -0.92 0.00 0.00 57.85 56.98 3kow n ARG 736 Cb 0.21 -0.63 0.12 0.00 0.45 0.00 0.00 32.46 32.61 3kow n ARG 736 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3kow n ARG 737 N -3.51 0.03 0.11 -0.14 1.74 -1.10 -0.18 116.66 113.60 3kow n ARG 737 Ca -0.03 0.43 0.10 0.00 -0.77 0.00 0.00 57.85 57.57 3kow n ARG 737 Cb 0.20 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 29.90 3kow n ARG 737 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3kow h GLU 738 N 0.00 0.00 -0.03 5.56 5.08 -1.70 -3.51 114.58 119.98 3kow h GLU 738 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kow h GLU 738 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3kow h GLU 738 CO 0.00 0.06 0.00 -1.33 -1.00 0.00 0.00 179.01 176.74