#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kjs n PHE 4 N 0.00 0.85 -2.03 1.96 3.01 -1.26 -5.02 117.46 114.97 3kjs n PHE 4 Ca 0.00 -0.63 -0.28 0.00 1.01 0.00 0.00 57.45 57.55 3kjs n PHE 4 Cb 0.00 -0.16 0.11 0.00 -0.01 0.00 0.00 39.48 39.42 3kjs n PHE 4 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3kjs s LYS 5 N -1.71 1.66 -0.28 -1.08 1.02 -1.26 -5.04 119.74 113.05 3kjs s LYS 5 Ca 0.36 -0.20 -0.08 0.00 0.02 0.00 0.00 55.97 56.06 3kjs s LYS 5 Cb 0.24 -2.01 -0.02 0.00 -0.52 0.00 0.00 37.83 35.52 3kjs s LYS 5 CO 0.17 -1.71 0.11 0.42 -0.92 0.00 0.00 175.35 173.42 3kjs s ILE 6 N -3.54 4.43 0.00 2.17 1.01 -1.26 -5.03 121.20 118.98 3kjs s ILE 6 Ca 0.65 -0.33 -0.30 0.00 0.00 0.00 0.00 60.65 60.67 3kjs s ILE 6 Cb -0.09 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 3kjs s ILE 6 CO 0.49 0.19 1.14 -0.60 0.00 0.00 0.00 174.94 176.16 3kjs s ARG 7 N 1.61 4.43 0.47 2.79 3.52 -1.26 -0.81 118.95 129.69 3kjs s ARG 7 Ca 0.05 1.64 -0.21 0.00 -0.13 0.00 0.00 55.73 57.08 3kjs s ARG 7 Cb -0.16 -3.45 -0.08 0.00 -1.56 0.00 0.00 34.95 29.70 3kjs s ARG 7 CO 0.05 -0.28 1.05 -1.64 -0.81 0.00 0.00 175.30 173.68 3kjs s MET 8 N 1.47 3.85 0.72 5.12 -1.94 -0.25 -4.89 119.30 123.39 3kjs s MET 8 Ca 0.56 1.43 -0.15 0.00 -1.71 0.00 0.00 55.69 55.82 3kjs s MET 8 Cb -0.25 -2.21 0.03 0.00 2.01 0.00 0.00 34.83 34.41 3kjs s MET 8 CO 0.26 -0.40 1.17 -1.25 -0.01 0.00 0.00 175.02 174.80 3kjs s PRO 9 N -3.04 2.29 0.45 2.03 0.04 -1.26 -4.93 135.00 130.59 3kjs s PRO 9 Ca 0.65 1.63 0.14 0.00 0.04 0.00 0.00 61.00 63.46 3kjs s PRO 9 Cb -0.19 -1.87 1.03 0.00 0.04 0.00 0.00 34.50 33.52 3kjs s PRO 9 CO 0.23 -1.69 2.02 1.05 0.04 0.00 0.00 177.00 178.65 3kjs h GLU 10 N -0.27 0.05 -6.62 4.56 9.09 -1.98 -3.45 114.58 115.98 3kjs h GLU 10 Ca -0.47 -0.01 -0.65 0.00 0.05 0.00 0.00 59.36 58.28 3kjs h GLU 10 Cb 1.28 -0.01 -0.24 0.00 -1.65 0.00 0.00 28.75 28.13 3kjs h GLU 10 CO 0.51 0.17 -0.86 0.95 0.05 0.00 0.00 179.01 179.83 3kjs s THR 11 N -4.79 2.05 0.65 -1.06 -4.23 -1.26 -5.13 115.64 101.86 3kjs s THR 11 Ca -0.05 -1.55 -0.17 0.00 -1.18 0.00 0.00 61.69 58.75 3kjs s THR 11 Cb 0.16 -1.80 -0.01 0.00 1.34 0.00 0.00 72.50 72.19 3kjs s THR 11 CO 0.70 0.15 1.18 -0.69 -0.54 0.00 0.00 174.62 175.42 3kjs s VAL 12 N -0.98 2.70 0.47 2.29 1.01 -1.26 -4.86 120.40 119.77 3kjs s VAL 12 Ca 0.11 0.38 -0.24 0.00 0.00 0.00 0.00 61.98 62.23 3kjs s VAL 12 Cb -0.10 -3.02 -0.07 0.00 0.00 0.00 0.00 36.38 33.19 3kjs s VAL 12 CO 0.04 -0.15 1.36 0.00 0.00 0.00 0.00 175.10 176.35 3kjs s ALA 13 N -1.88 3.09 -0.10 5.51 0.00 -1.26 -4.88 121.76 122.24 3kjs s ALA 13 Ca 0.74 1.34 -0.29 0.00 0.00 0.00 0.00 51.96 53.74 3kjs s ALA 13 Cb -0.27 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.25 3kjs s ALA 13 CO 0.38 -1.13 1.64 -2.00 0.00 0.00 0.00 175.76 174.65 3kjs s GLU 14 N -2.57 4.07 0.00 0.00 -6.30 -1.26 -2.33 118.70 110.31 3kjs s GLU 14 Ca 0.64 2.04 0.00 0.00 -2.50 0.00 0.00 54.97 55.14 3kjs s GLU 14 Cb -0.40 -4.00 0.00 0.00 0.00 0.00 0.00 34.13 29.73 3kjs s GLU 14 CO 0.50 -0.98 0.00 0.41 0.02 0.00 0.00 175.26 175.22 3kjs n GLY 15 N 4.27 0.95 3.71 -1.50 0.00 -1.26 -4.87 105.19 106.49 3kjs n GLY 15 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3kjs n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kjs s THR 16 N -2.00 3.04 0.22 2.61 2.01 -0.98 -4.99 115.64 115.54 3kjs s THR 16 Ca 0.00 0.66 -0.26 0.00 0.31 0.00 0.00 61.69 62.40 3kjs s THR 16 Cb 0.00 -3.42 -0.09 0.00 0.01 0.00 0.00 72.50 69.00 3kjs s THR 16 CO 0.00 0.03 0.84 0.00 -0.69 0.00 0.00 174.62 174.80 3kjs s ARG 17 N 1.66 4.61 0.47 4.92 3.03 -1.26 -5.06 118.95 127.32 3kjs s ARG 17 Ca 0.69 1.24 -0.22 0.00 2.03 0.00 0.00 55.73 59.47 3kjs s ARG 17 Cb -0.39 -3.15 -0.07 0.00 -1.03 0.00 0.00 34.95 30.30 3kjs s ARG 17 CO 0.31 0.49 1.13 -1.17 -1.13 0.00 0.00 175.30 174.93 3kjs s LEU 18 N -1.40 3.96 0.02 -1.89 0.20 -1.26 -4.93 118.68 113.37 3kjs s LEU 18 Ca 0.40 2.20 -0.35 0.00 0.69 0.00 0.00 54.13 57.07 3kjs s LEU 18 Cb -0.22 -4.34 -0.14 0.00 -0.43 0.00 0.00 46.19 41.05 3kjs s LEU 18 CO 0.27 -0.91 1.63 0.00 -0.29 0.00 0.00 176.35 177.05 3kjs n ALA 19 N -0.65 0.48 -3.26 5.97 0.00 -1.26 -4.99 120.51 116.81 3kjs n ALA 19 Ca 0.08 0.41 -0.33 0.00 0.00 0.00 0.00 53.44 53.61 3kjs n ALA 19 Cb 0.49 -2.31 -0.16 0.00 0.00 0.00 0.00 19.45 17.48 3kjs n ALA 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3kjs s LEU 20 N 2.00 2.40 0.41 0.00 1.02 -1.26 -4.17 118.68 119.09 3kjs s LEU 20 Ca 0.86 -0.46 -0.24 0.00 0.02 0.00 0.00 54.13 54.31 3kjs s LEU 20 Cb -0.80 -1.52 -0.08 0.00 0.02 0.00 0.00 46.19 43.81 3kjs s LEU 20 CO 0.47 0.14 1.10 -0.60 0.02 0.00 0.00 176.35 177.48 3kjs s ARG 21 N 0.49 4.05 0.47 1.70 6.06 -0.66 -4.98 118.95 126.08 3kjs s ARG 21 Ca -0.12 1.64 -0.15 0.00 -2.50 0.00 0.00 55.73 54.59 3kjs s ARG 21 Cb -0.16 -2.54 -0.08 0.00 0.06 0.00 0.00 34.95 32.23 3kjs s ARG 21 CO 0.05 -0.27 0.91 0.00 -2.50 0.00 0.00 175.30 173.49 3kjs s ALA 22 N -1.58 3.15 0.14 6.12 0.00 -1.26 -4.91 121.76 123.41 3kjs s ALA 22 Ca 0.59 0.10 -0.11 0.00 0.00 0.00 0.00 51.96 52.54 3kjs s ALA 22 Cb -0.25 -3.00 0.01 0.00 0.00 0.00 0.00 23.12 19.88 3kjs s ALA 22 CO 0.31 -0.11 0.31 -0.59 0.00 0.00 0.00 175.76 175.68 3kjs s PHE 23 N -2.48 0.13 0.13 0.00 -0.71 -0.88 -4.27 117.98 109.90 3kjs s PHE 23 Ca 0.57 -0.50 0.09 0.00 -1.04 0.00 0.00 56.93 56.04 3kjs s PHE 23 Cb -0.10 0.06 -0.04 0.00 -1.21 0.00 0.00 43.02 41.74 3kjs s PHE 23 CO 0.29 -0.68 -0.14 -1.12 -1.34 0.00 0.00 175.22 172.22 3kjs s SER 24 N -2.89 4.08 -0.13 1.98 0.01 0.45 -0.67 113.70 116.52 3kjs s SER 24 Ca 0.09 -0.53 -0.01 0.00 1.31 0.00 0.00 55.95 56.81 3kjs s SER 24 Cb 0.03 -0.64 -0.02 0.00 0.21 0.00 0.00 66.02 65.59 3kjs s SER 24 CO -0.06 0.16 -0.10 -0.22 0.41 0.00 0.00 173.24 173.43 3kjs s LEU 25 N -2.32 2.93 -0.05 2.44 0.20 0.32 -0.28 118.68 121.92 3kjs s LEU 25 Ca 0.20 -0.24 0.05 0.00 0.69 0.00 0.00 54.13 54.84 3kjs s LEU 25 Cb -0.10 -1.67 -0.01 0.00 -0.43 0.00 0.00 46.19 43.98 3kjs s LEU 25 CO 0.12 0.19 -0.21 0.54 -0.29 0.00 0.00 176.35 176.69 3kjs s VAL 26 N 0.24 1.75 -0.12 1.68 0.11 -0.93 0.77 120.40 123.91 3kjs s VAL 26 Ca -0.07 -0.90 -0.26 0.00 -2.93 0.00 0.00 61.98 57.83 3kjs s VAL 26 Cb -0.15 -1.49 0.06 0.00 -1.53 0.00 0.00 36.38 33.28 3kjs s VAL 26 CO 0.04 0.49 0.62 0.54 -3.33 0.00 0.00 175.10 173.46 3kjs s VAL 27 N -0.12 0.01 -0.19 2.04 0.11 -0.43 -4.53 120.40 117.29 3kjs s VAL 27 Ca -0.02 -0.06 -0.01 0.00 -2.93 0.00 0.00 61.98 58.95 3kjs s VAL 27 Cb -0.12 -0.91 -0.00 0.00 -1.53 0.00 0.00 36.38 33.82 3kjs s VAL 27 CO 0.02 -0.03 -0.11 0.00 -3.33 0.00 0.00 175.10 171.65 3kjs s ALA 28 N -0.61 2.61 0.18 1.54 0.00 -1.26 -0.48 121.76 123.73 3kjs s ALA 28 Ca -0.07 -1.12 0.10 0.00 0.00 0.00 0.00 51.96 50.87 3kjs s ALA 28 Cb -0.02 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 3kjs s ALA 28 CO 0.06 -0.24 -0.21 0.14 0.00 0.00 0.00 175.76 175.51 3kjs s VAL 29 N 1.15 2.08 0.37 0.00 -7.23 0.44 -4.54 120.40 112.66 3kjs s VAL 29 Ca 0.01 -1.98 -0.03 0.00 -1.81 0.00 0.00 61.98 58.17 3kjs s VAL 29 Cb -0.14 -1.98 0.08 0.00 0.56 0.00 0.00 36.38 34.90 3kjs s VAL 29 CO -0.04 -0.23 0.50 -0.90 -0.31 0.00 0.00 175.10 174.12 3kjs n ASP 30 N 0.25 0.35 0.16 4.85 5.68 -0.54 0.11 116.55 127.41 3kjs n ASP 30 Ca -0.13 -1.37 0.13 0.00 -0.50 0.00 0.00 54.79 52.93 3kjs n ASP 30 Cb 0.57 -0.35 0.45 0.00 -1.14 0.00 0.00 41.12 40.65 3kjs n ASP 30 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3kjs h GLU 31 N 0.00 0.00 -0.02 0.11 5.08 -1.91 -1.37 114.58 116.48 3kjs h GLU 31 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3kjs h GLU 31 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3kjs h GLU 31 CO 0.15 0.00 -0.05 0.54 -1.00 0.00 0.00 179.01 178.64 3kjs n ARG 32 N -2.52 1.63 -0.81 2.33 1.74 -1.26 -4.95 116.66 112.82 3kjs n ARG 32 Ca 0.03 -1.04 0.00 0.00 -0.77 0.00 0.00 57.85 56.07 3kjs n ARG 32 Cb 0.35 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 3kjs n ARG 32 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kjs n GLY 33 N 1.23 0.52 3.76 -0.13 0.00 -0.51 -4.90 105.19 105.16 3kjs n GLY 33 Ca 0.17 -0.67 -0.39 0.00 0.00 0.00 0.00 46.02 45.12 3kjs n GLY 33 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kjs s GLY 34 N -2.61 2.99 0.00 -0.02 0.00 -1.26 0.02 107.32 106.44 3kjs s GLY 34 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.52 3kjs s GLY 34 CO 0.00 1.36 0.00 0.29 0.00 0.00 0.00 173.10 174.75 3kjs n ILE 35 N 0.93 0.00 0.00 0.90 -5.35 -0.42 -1.47 119.36 113.95 3kjs n ILE 35 Ca 0.00 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.37 3kjs n ILE 35 Cb 0.46 0.59 0.00 0.00 -1.74 0.00 0.00 39.64 38.96 3kjs n ILE 35 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kjs n GLY 36 N 1.95 -0.38 1.02 3.28 0.00 -1.24 -4.61 105.19 105.21 3kjs n GLY 36 Ca 0.00 -1.11 0.10 0.00 0.00 0.00 0.00 46.02 45.00 3kjs n GLY 36 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kjs n ASP 37 N 0.00 3.34 0.00 1.61 5.75 -0.94 -1.46 116.55 124.85 3kjs n ASP 37 Ca 0.00 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 3kjs n ASP 37 Cb 0.00 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 39.79 3kjs n ASP 37 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3kjs n GLY 38 N 1.21 2.20 0.03 6.12 0.00 -1.26 -4.64 105.19 108.84 3kjs n GLY 38 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 3kjs n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kjs n ARG 39 N -0.35 1.52 -4.03 1.61 1.74 -1.26 -4.98 116.66 110.91 3kjs n ARG 39 Ca 0.00 0.02 -0.13 0.00 -0.77 0.00 0.00 57.85 56.97 3kjs n ARG 39 Cb 0.00 -1.11 -0.03 0.00 -1.02 0.00 0.00 32.46 30.29 3kjs n ARG 39 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3kjs s SER 40 N -4.10 0.56 -0.19 0.55 1.04 -1.26 -4.59 113.70 105.71 3kjs s SER 40 Ca -0.05 -1.32 -0.16 0.00 0.48 0.00 0.00 55.95 54.90 3kjs s SER 40 Cb 0.02 0.67 -0.04 0.00 0.10 0.00 0.00 66.02 66.77 3kjs s SER 40 CO 0.15 -1.32 0.40 -0.63 0.98 0.00 0.00 173.24 172.82 3kjs s ILE 41 N -3.15 5.20 -0.50 -1.02 1.01 -1.26 -2.22 121.20 119.26 3kjs s ILE 41 Ca 0.27 0.73 0.03 0.00 0.00 0.00 0.00 60.65 61.68 3kjs s ILE 41 Cb -0.01 -3.73 0.26 0.00 0.01 0.00 0.00 42.46 38.98 3kjs s ILE 41 CO 0.16 0.26 1.08 -0.81 0.00 0.00 0.00 174.94 175.64 3kjs n PRO 42 N 4.35 1.96 -4.21 2.79 -0.04 -1.26 -4.83 135.00 133.76 3kjs n PRO 42 Ca -0.08 -1.05 -0.12 0.00 -0.04 0.00 0.00 63.50 62.20 3kjs n PRO 42 Cb 0.51 -1.61 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 3kjs n PRO 42 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3kjs s TRP 43 N -1.40 1.15 -0.40 0.54 -2.14 -1.26 -5.07 118.94 110.35 3kjs s TRP 43 Ca 0.19 -1.23 0.02 0.00 2.66 0.00 0.00 56.10 57.74 3kjs s TRP 43 Cb 0.15 -0.62 0.12 0.00 -3.10 0.00 0.00 33.47 30.01 3kjs s TRP 43 CO 0.05 -0.46 0.16 1.21 -2.66 0.00 0.00 176.95 175.25 3kjs s ASN 44 N -3.16 4.10 -0.33 -2.66 3.84 -1.26 -5.06 114.94 110.40 3kjs s ASN 44 Ca 0.31 -2.33 0.01 0.00 0.21 0.00 0.00 52.86 51.06 3kjs s ASN 44 Cb 0.07 -1.21 0.10 0.00 -0.55 0.00 0.00 41.25 39.66 3kjs s ASN 44 CO 0.07 -0.32 0.09 -0.69 -2.79 0.00 0.00 177.10 173.46 3kjs s VAL 45 N 0.70 1.45 0.39 -5.21 1.01 -1.26 -4.76 120.40 112.72 3kjs s VAL 45 Ca 0.14 -1.86 0.07 0.00 0.00 0.00 0.00 61.98 60.33 3kjs s VAL 45 Cb -0.22 -2.08 0.21 0.00 0.00 0.00 0.00 36.38 34.29 3kjs s VAL 45 CO -0.08 -0.67 1.97 -0.65 0.00 0.00 0.00 175.10 175.67 3kjs h PRO 46 N 7.78 0.44 0.00 2.72 0.11 -1.97 -2.52 132.00 138.57 3kjs h PRO 46 Ca -0.09 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 65.90 3kjs h PRO 46 Cb 1.01 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 3kjs h PRO 46 CO 0.50 0.41 -0.25 0.93 -0.21 0.00 0.00 178.00 179.37 3kjs h GLU 47 N 0.44 0.00 -0.11 1.05 3.07 -1.99 -0.22 114.58 116.81 3kjs h GLU 47 Ca 0.11 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.75 3kjs h GLU 47 Cb 0.16 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.08 3kjs h GLU 47 CO -0.01 0.25 -0.81 0.22 -1.40 0.00 0.00 179.01 177.27 3kjs h ASP 48 N 0.00 0.81 -0.66 1.42 3.58 -1.89 -2.34 116.42 117.35 3kjs h ASP 48 Ca -0.00 -0.55 -0.06 0.00 0.42 0.00 0.00 57.03 56.84 3kjs h ASP 48 Cb 0.62 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.40 3kjs h ASP 48 CO 0.03 1.34 0.20 0.24 -2.88 0.00 0.00 179.24 178.17 3kjs h MET 49 N 0.45 1.05 -0.10 0.28 2.86 -1.13 0.10 114.93 118.44 3kjs h MET 49 Ca -0.06 -0.22 -0.02 0.00 -2.06 0.00 0.00 59.70 57.35 3kjs h MET 49 Cb 1.43 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 32.93 3kjs h MET 49 CO 0.16 0.90 -0.01 -0.22 1.06 0.00 0.00 176.91 178.80 3kjs h LYS 50 N 1.01 0.18 -0.53 1.72 3.64 -1.13 -0.96 116.57 120.49 3kjs h LYS 50 Ca 0.22 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.59 3kjs h LYS 50 Cb 0.30 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.06 3kjs h LYS 50 CO -0.01 0.45 0.28 0.35 -2.27 0.00 0.00 179.45 178.25 3kjs h PHE 51 N -0.12 0.51 -0.39 1.91 3.57 -1.24 0.12 116.94 121.31 3kjs h PHE 51 Ca 0.03 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 3kjs h PHE 51 Cb 0.37 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 3kjs h PHE 51 CO 0.04 0.26 0.22 0.35 -2.23 0.00 0.00 178.31 176.94 3kjs h PHE 52 N 0.54 0.53 0.09 0.41 3.57 -0.77 -0.93 116.94 120.39 3kjs h PHE 52 Ca 0.23 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.73 3kjs h PHE 52 Cb 0.12 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 3kjs h PHE 52 CO -0.09 0.40 -0.10 -0.09 -2.23 0.00 0.00 178.31 176.20 3kjs h ARG 53 N 0.50 -0.21 0.22 1.11 2.43 -0.82 -2.90 114.38 114.71 3kjs h ARG 53 Ca 0.14 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 3kjs h ARG 53 Cb 0.04 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3kjs h ARG 53 CO -0.02 -0.14 -0.11 -0.44 -1.51 0.00 0.00 179.97 177.75 3kjs h ASP 54 N -0.22 -0.25 -0.14 -3.80 3.32 -0.50 -0.53 116.42 114.30 3kjs h ASP 54 Ca 0.01 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 3kjs h ASP 54 Cb 0.22 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 3kjs h ASP 54 CO -0.04 -0.11 -0.12 1.62 -1.72 0.00 0.00 179.24 178.87 3kjs h VAL 55 N -0.37 1.23 0.00 -1.35 3.04 -1.26 0.93 116.25 118.46 3kjs h VAL 55 Ca -0.03 -1.01 -0.04 0.00 -1.01 0.00 0.00 66.70 64.60 3kjs h VAL 55 Cb 0.29 1.14 -0.01 0.00 -2.01 0.00 0.00 31.29 30.70 3kjs h VAL 55 CO 0.05 0.33 -0.26 0.71 -1.01 0.00 0.00 177.57 177.39 3kjs h THR 56 N 0.46 0.33 0.07 3.17 1.35 -1.44 -3.36 112.91 113.49 3kjs h THR 56 Ca 0.09 -1.48 -0.33 0.00 -0.55 0.00 0.00 66.41 64.14 3kjs h THR 56 Cb 0.49 2.14 -0.03 0.00 -1.73 0.00 0.00 68.15 69.02 3kjs h THR 56 CO 0.03 0.19 -1.86 0.41 -0.25 0.00 0.00 175.52 174.04 3kjs n THR 57 N -3.12 1.66 -2.30 6.82 -1.04 -0.21 -4.67 114.28 111.42 3kjs n THR 57 Ca 0.03 -0.44 -0.39 0.00 -2.04 0.00 0.00 64.05 61.22 3kjs n THR 57 Cb 0.61 -1.81 -0.02 0.00 -1.82 0.00 0.00 70.33 67.29 3kjs n THR 57 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3kjs s LYS 58 N -2.49 4.12 0.44 -2.82 1.02 0.28 -4.69 119.74 115.60 3kjs s LYS 58 Ca -0.27 1.86 0.08 0.00 0.02 0.00 0.00 55.97 57.66 3kjs s LYS 58 Cb 0.07 -2.74 0.00 0.00 -0.52 0.00 0.00 37.83 34.64 3kjs s LYS 58 CO 0.68 -0.27 0.47 -0.51 -0.92 0.00 0.00 175.35 174.80 3kjs s LEU 59 N -2.37 3.40 0.31 3.17 1.43 -1.26 -4.95 118.68 118.41 3kjs s LEU 59 Ca 0.56 -0.69 0.21 0.00 -1.03 0.00 0.00 54.13 53.17 3kjs s LEU 59 Cb -0.31 -2.14 1.13 0.00 0.03 0.00 0.00 46.19 44.90 3kjs s LEU 59 CO 0.40 -0.77 1.64 0.54 0.23 0.00 0.00 176.35 178.38 3kjs n ARG 60 N -1.71 0.13 -2.21 1.70 1.74 -1.26 -4.74 116.66 110.31 3kjs n ARG 60 Ca 0.06 0.63 -0.32 0.00 -0.77 0.00 0.00 57.85 57.45 3kjs n ARG 60 Cb 0.61 -1.95 -0.02 0.00 -1.02 0.00 0.00 32.46 30.09 3kjs n ARG 60 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3kjs s GLY 61 N -3.53 1.93 -0.02 -0.13 0.00 -1.26 -4.98 107.32 99.33 3kjs s GLY 61 Ca -0.02 0.10 -0.25 0.00 0.00 0.00 0.00 44.72 44.55 3kjs s GLY 61 CO 0.19 0.37 1.24 1.70 0.00 0.00 0.00 173.10 176.61 3kjs h LYS 62 N 0.50 0.07 -4.43 2.90 3.64 -2.05 -3.37 116.57 113.83 3kjs h LYS 62 Ca -0.46 -0.04 -0.73 0.00 -1.27 0.00 0.00 60.65 58.15 3kjs h LYS 62 Cb 1.19 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 32.79 3kjs h LYS 62 CO 0.61 0.58 0.29 -0.80 -2.27 0.00 0.00 179.45 177.87 3kjs s ASN 63 N -5.83 6.52 0.00 4.20 0.01 -1.26 -4.97 114.94 113.62 3kjs s ASN 63 Ca -0.16 -2.09 0.00 0.00 -0.71 0.00 0.00 52.86 49.90 3kjs s ASN 63 Cb 0.02 -2.29 0.00 0.00 0.41 0.00 0.00 41.25 39.39 3kjs s ASN 63 CO 0.69 -0.88 0.00 0.52 -1.51 0.00 0.00 177.10 175.92 3kjs n VAL 64 N 4.93 0.00 -2.93 1.60 0.31 -1.26 -5.00 118.33 115.98 3kjs n VAL 64 Ca 0.08 0.13 -0.05 0.00 -0.01 0.00 0.00 64.34 64.49 3kjs n VAL 64 Cb 0.46 -0.43 0.01 0.00 -0.91 0.00 0.00 33.84 32.96 3kjs n VAL 64 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3kjs n LYS 65 N 0.00 -2.37 -2.15 5.55 4.81 -1.26 -4.90 118.16 117.84 3kjs n LYS 65 Ca 0.00 2.06 -0.42 0.00 -0.87 0.00 0.00 58.31 59.08 3kjs n LYS 65 Cb 0.00 -4.05 -0.03 0.00 0.02 0.00 0.00 35.03 30.97 3kjs n LYS 65 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3kjs s PRO 66 N -1.73 4.33 0.38 1.64 0.04 -1.26 -4.92 135.00 133.47 3kjs s PRO 66 Ca 0.08 2.12 0.06 0.00 0.04 0.00 0.00 61.00 63.29 3kjs s PRO 66 Cb -0.02 -3.20 -0.02 0.00 0.04 0.00 0.00 34.50 31.30 3kjs s PRO 66 CO 0.60 -0.37 0.21 -1.54 0.04 0.00 0.00 177.00 175.93 3kjs s SER 67 N 0.71 2.28 0.66 6.66 1.04 -0.08 -4.93 113.70 120.04 3kjs s SER 67 Ca 0.61 -1.74 0.43 0.00 0.48 0.00 0.00 55.95 55.73 3kjs s SER 67 Cb -0.38 0.57 2.36 0.00 0.10 0.00 0.00 66.02 68.67 3kjs s SER 67 CO 0.35 -1.02 2.34 -0.65 0.98 0.00 0.00 173.24 175.25 3kjs h PRO 68 N 1.94 0.00 0.16 4.02 0.11 -1.96 -3.00 132.00 133.27 3kjs h PRO 68 Ca -0.30 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.54 3kjs h PRO 68 Cb 1.25 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.38 3kjs h PRO 68 CO 0.46 0.00 -1.29 0.00 -0.21 0.00 0.00 178.00 176.96 3kjs h ALA 69 N 1.96 0.01 -3.18 -0.75 0.00 -1.96 -3.46 119.26 111.89 3kjs h ALA 69 Ca 0.00 -0.92 -0.44 0.00 0.00 0.00 0.00 54.91 53.55 3kjs h ALA 69 Cb 0.04 0.29 -0.40 0.00 0.00 0.00 0.00 17.79 17.72 3kjs h ALA 69 CO -0.00 0.68 -0.75 0.15 0.00 0.00 0.00 179.25 179.33 3kjs s LYS 70 N -2.50 0.16 0.27 0.00 -0.14 -1.13 -4.03 119.74 112.36 3kjs s LYS 70 Ca -0.15 0.04 -0.18 0.00 -1.36 0.00 0.00 55.97 54.32 3kjs s LYS 70 Cb 0.03 -1.37 0.01 0.00 -1.68 0.00 0.00 37.83 34.83 3kjs s LYS 70 CO 0.84 -0.52 0.62 -0.98 -0.76 0.00 0.00 175.35 174.55 3kjs s ARG 71 N 2.09 1.69 0.27 1.68 1.70 -0.15 -0.91 118.95 125.33 3kjs s ARG 71 Ca 0.03 -1.09 0.04 0.00 -0.47 0.00 0.00 55.73 54.23 3kjs s ARG 71 Cb -0.14 0.55 -0.03 0.00 -0.57 0.00 0.00 34.95 34.76 3kjs s ARG 71 CO -0.07 -0.74 0.42 -0.80 -1.08 0.00 0.00 175.30 173.02 3kjs s ASN 72 N -2.96 6.30 0.02 -2.89 0.01 -1.26 -1.22 114.94 112.94 3kjs s ASN 72 Ca 0.16 0.17 0.03 0.00 -0.71 0.00 0.00 52.86 52.51 3kjs s ASN 72 Cb -0.04 -1.89 -0.03 0.00 0.41 0.00 0.00 41.25 39.69 3kjs s ASN 72 CO 0.08 -0.14 -0.05 0.00 -1.51 0.00 0.00 177.10 175.47 3kjs s ALA 73 N -2.08 3.08 -0.11 0.60 0.00 -0.66 -0.69 121.76 121.89 3kjs s ALA 73 Ca 0.36 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 51.31 3kjs s ALA 73 Cb -0.09 -1.15 -0.00 0.00 0.00 0.00 0.00 23.12 21.87 3kjs s ALA 73 CO 0.31 0.63 -0.20 0.14 0.00 0.00 0.00 175.76 176.64 3kjs s VAL 74 N -1.05 2.41 -0.20 0.00 -7.23 0.66 -0.46 120.40 114.54 3kjs s VAL 74 Ca 0.18 -0.89 -0.03 0.00 -1.81 0.00 0.00 61.98 59.43 3kjs s VAL 74 Cb -0.11 -1.96 -0.01 0.00 0.56 0.00 0.00 36.38 34.85 3kjs s VAL 74 CO 0.09 0.55 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.69 3kjs s VAL 75 N 0.38 3.45 0.06 1.32 1.01 0.11 -0.28 120.40 126.45 3kjs s VAL 75 Ca -0.15 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.36 3kjs s VAL 75 Cb -0.17 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 3kjs s VAL 75 CO 0.07 0.44 -0.07 0.00 0.00 0.00 0.00 175.10 175.55 3kjs s MET 76 N 1.15 0.65 0.69 2.72 0.23 0.14 -1.34 119.30 123.55 3kjs s MET 76 Ca 0.02 -1.00 -0.11 0.00 -1.03 0.00 0.00 55.69 53.56 3kjs s MET 76 Cb -0.14 -0.24 0.01 0.00 -1.53 0.00 0.00 34.83 32.93 3kjs s MET 76 CO -0.01 0.02 1.06 0.20 -2.03 0.00 0.00 175.02 174.26 3kjs s GLY 77 N -2.21 1.69 0.32 3.16 0.00 -1.02 -1.03 107.32 108.23 3kjs s GLY 77 Ca -0.01 0.11 0.04 0.00 0.00 0.00 0.00 44.72 44.86 3kjs s GLY 77 CO -0.02 0.42 1.89 -0.09 0.00 0.00 0.00 173.10 175.29 3kjs h ARG 78 N -0.67 0.86 -0.32 2.90 2.43 -1.68 -1.76 114.38 116.13 3kjs h ARG 78 Ca -0.44 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 58.56 3kjs h ARG 78 Cb 1.21 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 3kjs h ARG 78 CO 0.57 0.57 -0.30 0.87 -1.51 0.00 0.00 179.97 180.16 3kjs h LYS 79 N 0.88 0.68 -0.44 0.20 1.79 -1.93 -1.23 116.57 116.52 3kjs h LYS 79 Ca 0.42 -0.30 -0.07 0.00 -2.18 0.00 0.00 60.65 58.52 3kjs h LYS 79 Cb 0.43 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.05 3kjs h LYS 79 CO -0.18 0.90 -0.00 1.15 -1.08 0.00 0.00 179.45 180.23 3kjs h THR 80 N 0.58 1.26 -0.49 -0.16 2.02 -1.75 -1.45 112.91 112.92 3kjs h THR 80 Ca 0.07 -1.04 0.05 0.00 0.77 0.00 0.00 66.41 66.26 3kjs h THR 80 Cb 0.80 1.07 -0.05 0.00 -1.74 0.00 0.00 68.15 68.23 3kjs h THR 80 CO 0.07 0.36 0.23 -0.25 0.37 0.00 0.00 175.52 176.29 3kjs h TRP 81 N 0.62 0.42 -0.65 3.16 2.91 -1.07 -2.05 115.95 119.29 3kjs h TRP 81 Ca 0.12 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.14 3kjs h TRP 81 Cb 0.49 -0.12 -0.03 0.00 -0.51 0.00 0.00 29.16 29.00 3kjs h TRP 81 CO 0.04 0.20 0.30 -0.44 -1.03 0.00 0.00 178.44 177.50 3kjs h ASP 82 N 0.45 0.84 0.99 2.65 3.32 -1.11 -2.87 116.42 120.69 3kjs h ASP 82 Ca 0.22 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3kjs h ASP 82 Cb 0.15 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3kjs h ASP 82 CO -0.17 0.72 0.00 0.77 -1.72 0.00 0.00 179.24 178.84 3kjs h SER 83 N 0.92 0.00 -3.26 6.45 4.64 -0.56 -3.41 113.55 118.33 3kjs h SER 83 Ca 0.22 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.98 3kjs h SER 83 Cb 0.12 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.16 3kjs h SER 83 CO -0.03 0.00 0.52 -0.63 -0.87 0.00 0.00 176.83 175.82 3kjs s ILE 84 N -3.55 4.81 0.37 0.95 1.01 -0.97 -5.01 121.20 118.80 3kjs s ILE 84 Ca 0.02 1.90 -0.28 0.00 0.00 0.00 0.00 60.65 62.29 3kjs s ILE 84 Cb 0.09 -4.25 -0.11 0.00 0.01 0.00 0.00 42.46 38.20 3kjs s ILE 84 CO 0.51 0.00 1.49 -2.84 0.00 0.00 0.00 174.94 174.10 3kjs s PRO 85 N 2.11 4.12 0.46 2.79 0.02 -1.26 -4.86 135.00 138.39 3kjs s PRO 85 Ca 0.45 2.56 0.25 0.00 0.02 0.00 0.00 61.00 64.27 3kjs s PRO 85 Cb -0.17 -2.98 1.28 0.00 0.02 0.00 0.00 34.50 32.64 3kjs s PRO 85 CO 0.15 -0.53 1.83 -1.35 -0.33 0.00 0.00 177.00 176.78 3kjs h PRO 86 N 3.17 0.22 0.00 5.54 0.11 -1.93 0.81 132.00 139.92 3kjs h PRO 86 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3kjs h PRO 86 Cb 1.24 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3kjs h PRO 86 CO 0.65 0.14 0.00 1.57 -0.21 0.00 0.00 178.00 180.16 3kjs h LYS 87 N 0.23 0.00 0.00 1.05 2.10 -1.99 -2.73 116.57 115.23 3kjs h LYS 87 Ca 0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.16 3kjs h LYS 87 Cb 1.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.93 3kjs h LYS 87 CO -0.14 0.00 -0.85 1.19 -2.00 0.00 0.00 179.45 177.65 3kjs n PHE 88 N -2.66 0.00 -3.23 0.07 3.72 0.27 -4.98 117.46 110.66 3kjs n PHE 88 Ca -0.00 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.06 3kjs n PHE 88 Cb 0.17 -0.02 -0.06 0.00 -0.94 0.00 0.00 39.48 38.64 3kjs n PHE 88 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3kjs s ARG 89 N -2.64 4.02 0.77 -1.08 0.52 -1.03 -3.81 118.95 115.70 3kjs s ARG 89 Ca 0.06 0.61 -0.12 0.00 -0.52 0.00 0.00 55.73 55.76 3kjs s ARG 89 Cb 0.13 -2.70 0.05 0.00 0.52 0.00 0.00 34.95 32.95 3kjs s ARG 89 CO 0.70 0.32 1.11 -1.25 0.02 0.00 0.00 175.30 176.21 3kjs s PRO 90 N -2.45 2.33 -0.13 3.54 0.04 -1.26 -5.00 135.00 132.06 3kjs s PRO 90 Ca 0.46 0.47 -0.29 0.00 0.04 0.00 0.00 61.00 61.68 3kjs s PRO 90 Cb -0.13 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 3kjs s PRO 90 CO 0.19 -1.41 1.79 -0.51 0.04 0.00 0.00 177.00 177.11 3kjs s LEU 91 N -5.59 4.02 0.54 -3.56 1.43 -1.25 -4.93 118.68 109.35 3kjs s LEU 91 Ca 0.60 2.01 -0.21 0.00 -1.03 0.00 0.00 54.13 55.49 3kjs s LEU 91 Cb -0.13 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.52 3kjs s LEU 91 CO 0.52 -1.26 1.32 -2.84 0.23 0.00 0.00 176.35 174.33 3kjs s PRO 92 N 4.76 3.18 0.00 1.29 0.02 -1.26 -3.19 135.00 139.80 3kjs s PRO 92 Ca 0.80 2.14 0.00 0.00 0.02 0.00 0.00 61.00 63.96 3kjs s PRO 92 Cb -0.32 -2.23 0.00 0.00 0.02 0.00 0.00 34.50 31.97 3kjs s PRO 92 CO 0.33 -1.13 0.00 0.41 -0.33 0.00 0.00 177.00 176.28 3kjs n GLY 93 N 0.69 0.64 3.04 0.52 0.00 -1.26 -4.98 105.19 103.84 3kjs n GLY 93 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 3kjs n GLY 93 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kjs s ARG 94 N -0.34 0.61 -0.15 1.61 0.52 -1.19 -4.33 118.95 115.67 3kjs s ARG 94 Ca 0.00 -0.51 -0.29 0.00 -0.52 0.00 0.00 55.73 54.41 3kjs s ARG 94 Cb 0.00 -0.53 -0.03 0.00 0.52 0.00 0.00 34.95 34.91 3kjs s ARG 94 CO 0.00 0.13 1.48 -1.17 0.02 0.00 0.00 175.30 175.76 3kjs s LEU 95 N -0.81 4.13 -0.36 2.53 2.96 0.13 -4.77 118.68 122.50 3kjs s LEU 95 Ca -0.02 1.81 -0.21 0.00 -0.22 0.00 0.00 54.13 55.50 3kjs s LEU 95 Cb -0.06 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.10 3kjs s LEU 95 CO 0.00 -0.96 0.65 0.20 -1.32 0.00 0.00 176.35 174.92 3kjs s ASN 96 N 3.04 6.44 -0.23 3.68 0.02 -0.38 -0.24 114.94 127.27 3kjs s ASN 96 Ca 0.65 0.15 -0.04 0.00 -1.02 0.00 0.00 52.86 52.60 3kjs s ASN 96 Cb -0.26 -2.33 -0.01 0.00 0.02 0.00 0.00 41.25 38.67 3kjs s ASN 96 CO 0.24 -0.62 -0.02 -0.69 0.02 0.00 0.00 177.10 176.03 3kjs s VAL 97 N 2.76 3.50 -0.14 1.60 1.01 0.62 -0.91 120.40 128.84 3kjs s VAL 97 Ca 0.25 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.71 3kjs s VAL 97 Cb -0.14 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 3kjs s VAL 97 CO 0.15 0.36 -0.15 -0.69 0.00 0.00 0.00 175.10 174.77 3kjs s VAL 98 N 1.48 2.80 -0.10 2.92 1.01 -0.53 -0.68 120.40 127.29 3kjs s VAL 98 Ca 0.05 -0.74 -0.19 0.00 0.00 0.00 0.00 61.98 61.10 3kjs s VAL 98 Cb -0.15 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 3kjs s VAL 98 CO -0.02 0.52 0.53 -0.76 0.00 0.00 0.00 175.10 175.37 3kjs s LEU 99 N 0.59 4.29 -0.10 3.92 1.43 -0.20 -0.38 118.68 128.24 3kjs s LEU 99 Ca -0.09 0.91 -0.30 0.00 -1.03 0.00 0.00 54.13 53.62 3kjs s LEU 99 Cb -0.16 -2.78 0.07 0.00 0.03 0.00 0.00 46.19 43.35 3kjs s LEU 99 CO 0.03 -0.02 0.70 -0.55 0.23 0.00 0.00 176.35 176.74 3kjs s SER 100 N 0.63 -0.67 0.04 2.29 0.15 -0.63 -1.67 113.70 113.84 3kjs s SER 100 Ca 0.29 0.86 -0.09 0.00 0.70 0.00 0.00 55.95 57.71 3kjs s SER 100 Cb -0.16 0.72 -0.31 0.00 -1.71 0.00 0.00 66.02 64.56 3kjs s SER 100 CO 0.12 -0.53 1.00 0.28 1.20 0.00 0.00 173.24 175.32 3kjs h SER 101 N 3.39 0.58 0.00 5.45 0.02 -1.93 -3.33 113.55 117.72 3kjs h SER 101 Ca -0.27 -0.67 -0.34 0.00 -0.84 0.00 0.00 61.79 59.67 3kjs h SER 101 Cb 1.14 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 63.44 3kjs h SER 101 CO 0.32 1.53 -2.22 0.35 -1.14 0.00 0.00 176.83 175.67 3kjs n THR 102 N -3.59 1.21 -2.25 -2.27 -2.24 -1.26 -4.99 114.28 98.89 3kjs n THR 102 Ca -0.14 -0.38 -0.42 0.00 -2.27 0.00 0.00 64.05 60.84 3kjs n THR 102 Cb 1.06 -1.53 -0.03 0.00 -2.10 0.00 0.00 70.33 67.73 3kjs n THR 102 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3kjs s LEU 103 N -6.73 4.33 0.42 3.22 1.43 -1.26 -5.02 118.68 115.07 3kjs s LEU 103 Ca -0.30 2.12 0.00 0.00 -1.03 0.00 0.00 54.13 54.92 3kjs s LEU 103 Cb 0.10 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.74 3kjs s LEU 103 CO 0.43 -0.67 0.64 0.42 0.23 0.00 0.00 176.35 177.40 3kjs s THR 104 N 2.01 4.31 0.13 5.49 -4.23 -1.26 -4.77 115.64 117.32 3kjs s THR 104 Ca 0.63 -0.48 -0.24 0.00 -1.18 0.00 0.00 61.69 60.42 3kjs s THR 104 Cb -0.32 -3.59 -0.03 0.00 1.34 0.00 0.00 72.50 69.91 3kjs s THR 104 CO 0.27 -0.41 1.65 0.74 -0.54 0.00 0.00 174.62 176.33 3kjs h THR 105 N 0.50 0.48 -0.64 3.99 2.02 -1.95 -2.88 112.91 114.43 3kjs h THR 105 Ca -0.47 0.00 0.01 0.00 0.77 0.00 0.00 66.41 66.72 3kjs h THR 105 Cb 1.24 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 3kjs h THR 105 CO 0.58 0.00 0.42 -0.61 0.37 0.00 0.00 175.52 176.28 3kjs h GLN 106 N -0.30 0.83 0.00 6.66 5.75 -1.95 -2.69 115.11 123.41 3kjs h GLN 106 Ca 0.08 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.49 3kjs h GLN 106 Cb 0.42 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 3kjs h GLN 106 CO -0.25 0.55 -0.19 0.45 -2.65 0.00 0.00 178.83 176.75 3kjs h HIS 107 N 0.86 0.00 0.00 3.99 3.86 -1.94 -2.72 115.15 119.20 3kjs h HIS 107 Ca 0.24 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.37 3kjs h HIS 107 Cb -0.09 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 3kjs h HIS 107 CO -0.03 0.19 -0.38 -0.07 0.86 0.00 0.00 177.93 178.50 3kjs h LEU 108 N 0.00 0.00 -5.14 2.43 3.38 -1.26 -3.38 115.31 111.34 3kjs h LEU 108 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3kjs h LEU 108 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3kjs h LEU 108 CO 0.02 0.38 0.73 0.18 0.09 0.00 0.00 178.44 179.84 3kjs n LEU 109 N -3.56 1.19 -2.04 1.67 4.77 -1.03 -5.12 117.00 112.89 3kjs n LEU 109 Ca -0.00 -1.20 0.02 0.00 -0.03 0.00 0.00 56.01 54.79 3kjs n LEU 109 Cb 0.50 -0.41 0.04 0.00 -2.33 0.00 0.00 43.42 41.23 3kjs n LEU 109 CO 0.37 -0.27 0.04 0.47 -1.33 0.00 0.00 177.39 176.67 3kjs n ASP 110 N 3.51 1.36 0.00 -1.43 8.00 -1.26 -5.12 116.55 121.60 3kjs n ASP 110 Ca 0.10 -2.11 0.00 0.00 0.71 0.00 0.00 54.79 53.49 3kjs n ASP 110 Cb 0.13 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 3kjs n ASP 110 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3kjs n ASP 123 N -0.03 0.00 -0.93 -2.24 5.75 -1.26 -5.06 116.55 112.77 3kjs n ASP 123 Ca 0.08 0.00 0.11 0.00 -0.01 0.00 0.00 54.79 54.97 3kjs n ASP 123 Cb 0.99 0.00 0.11 0.00 -1.03 0.00 0.00 41.12 41.18 3kjs n ASP 123 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3kjs n SER 124 N 0.00 2.95 -3.72 -1.12 7.64 -1.26 -4.95 113.62 113.16 3kjs n SER 124 Ca 0.00 -1.95 -0.12 0.00 1.01 0.00 0.00 58.87 57.82 3kjs n SER 124 Cb 0.00 -0.03 -0.11 0.00 -1.01 0.00 0.00 64.21 63.06 3kjs n SER 124 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 3kjs s ILE 125 N -1.83 -0.02 -0.01 0.44 -1.16 -1.26 -1.25 121.20 116.11 3kjs s ILE 125 Ca 0.28 0.08 0.02 0.00 -0.51 0.00 0.00 60.65 60.51 3kjs s ILE 125 Cb 0.19 -0.53 -0.00 0.00 0.61 0.00 0.00 42.46 42.73 3kjs s ILE 125 CO 0.29 0.03 -0.06 -0.69 -2.81 0.00 0.00 174.94 171.69 3kjs s VAL 126 N 0.99 0.52 -0.11 4.00 1.01 -0.09 -4.97 120.40 121.75 3kjs s VAL 126 Ca -0.07 -0.26 -0.10 0.00 0.00 0.00 0.00 61.98 61.56 3kjs s VAL 126 Cb -0.07 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 3kjs s VAL 126 CO -0.08 0.16 0.20 0.00 0.00 0.00 0.00 175.10 175.38 3kjs s ALA 127 N -0.03 3.79 -0.18 5.51 0.00 -1.26 -1.46 121.76 128.13 3kjs s ALA 127 Ca 0.01 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.42 3kjs s ALA 127 Cb -0.04 -2.12 0.01 0.00 0.00 0.00 0.00 23.12 20.98 3kjs s ALA 127 CO -0.00 0.48 -0.18 0.08 0.00 0.00 0.00 175.76 176.14 3kjs s VAL 128 N -0.70 2.28 -1.13 0.00 1.01 0.49 -4.74 120.40 117.61 3kjs s VAL 128 Ca 0.16 -0.87 -0.20 0.00 0.00 0.00 0.00 61.98 61.07 3kjs s VAL 128 Cb -0.13 -1.97 0.08 0.00 0.00 0.00 0.00 36.38 34.36 3kjs s VAL 128 CO 0.05 0.52 1.51 0.21 0.00 0.00 0.00 175.10 177.40 3kjs s ASN 129 N 1.27 6.71 0.00 3.32 2.47 -1.25 -1.60 114.94 125.86 3kjs s ASN 129 Ca 0.04 -2.07 0.00 0.00 0.42 0.00 0.00 52.86 51.25 3kjs s ASN 129 Cb -0.13 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.13 3kjs s ASN 129 CO -0.10 -1.24 0.00 0.61 -3.72 0.00 0.00 177.10 172.65 3kjs n GLY 130 N 5.84 -2.56 1.19 1.21 0.00 -1.26 -5.01 105.19 104.61 3kjs n GLY 130 Ca 0.38 -1.38 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 3kjs n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kjs n GLY 131 N -1.03 -0.77 0.36 -0.02 0.00 -1.26 -4.41 105.19 98.06 3kjs n GLY 131 Ca 0.00 -1.75 0.08 0.00 0.00 0.00 0.00 46.02 44.35 3kjs n GLY 131 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kjs h LEU 132 N 0.00 0.90 -0.53 0.99 5.85 -1.95 -1.54 115.31 119.02 3kjs h LEU 132 Ca -0.12 0.05 0.11 0.00 0.84 0.00 0.00 57.88 58.75 3kjs h LEU 132 Cb 0.37 -0.13 -0.10 0.00 0.37 0.00 0.00 40.66 41.17 3kjs h LEU 132 CO 0.10 0.46 -0.09 -0.08 -0.34 0.00 0.00 178.44 178.49 3kjs h GLU 133 N 0.95 0.03 -0.17 1.25 4.81 -1.94 0.98 114.58 120.49 3kjs h GLU 133 Ca 0.50 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.65 3kjs h GLU 133 Cb 0.54 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 3kjs h GLU 133 CO -0.27 0.02 -0.25 1.96 -0.73 0.00 0.00 179.01 179.74 3kjs h GLN 134 N 0.03 0.31 -0.54 1.92 7.50 -1.64 -1.64 115.11 121.06 3kjs h GLN 134 Ca 0.26 -0.11 -0.12 0.00 0.50 0.00 0.00 58.65 59.19 3kjs h GLN 134 Cb 0.40 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.89 3kjs h GLN 134 CO -0.51 0.55 -0.11 0.00 -1.50 0.00 0.00 178.83 177.25 3kjs h ALA 135 N 1.46 0.74 -0.24 3.87 0.00 -0.75 -1.91 119.26 122.43 3kjs h ALA 135 Ca 0.04 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 3kjs h ALA 135 Cb 0.60 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3kjs h ALA 135 CO 0.04 0.66 -0.26 -0.07 0.00 0.00 0.00 179.25 179.62 3kjs h LEU 136 N 0.91 0.47 0.47 0.00 3.38 -0.47 -1.77 115.31 118.30 3kjs h LEU 136 Ca 0.14 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3kjs h LEU 136 Cb 0.68 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3kjs h LEU 136 CO 0.05 0.73 -0.23 1.56 0.09 0.00 0.00 178.44 180.64 3kjs h GLN 137 N 0.41 -0.61 -0.78 1.13 4.20 -1.21 -1.71 115.11 116.55 3kjs h GLN 137 Ca 0.06 0.04 0.14 0.00 0.06 0.00 0.00 58.65 58.95 3kjs h GLN 137 Cb 0.68 0.14 -0.09 0.00 0.30 0.00 0.00 27.48 28.51 3kjs h GLN 137 CO 0.05 -0.35 0.34 1.25 -0.67 0.00 0.00 178.83 179.45 3kjs h LEU 138 N -0.75 0.36 0.00 1.46 5.85 -1.17 -0.88 115.31 120.19 3kjs h LEU 138 Ca -0.06 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3kjs h LEU 138 Cb 0.54 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.63 3kjs h LEU 138 CO 0.11 0.15 0.00 0.18 -0.34 0.00 0.00 178.44 178.53 3kjs n LEU 139 N -4.95 0.00 -0.73 2.25 4.77 -0.68 -2.10 117.00 115.56 3kjs n LEU 139 Ca 0.15 0.40 0.11 0.00 -0.03 0.00 0.00 56.01 56.64 3kjs n LEU 139 Cb 0.41 -0.40 0.05 0.00 -2.33 0.00 0.00 43.42 41.15 3kjs n LEU 139 CO 0.20 -0.08 0.47 0.00 -1.33 0.00 0.00 177.39 176.65 3kjs n ALA 140 N -1.40 3.00 -1.61 -1.18 0.00 -0.36 -3.88 120.51 115.08 3kjs n ALA 140 Ca 0.09 -0.67 -0.33 0.00 0.00 0.00 0.00 53.44 52.53 3kjs n ALA 140 Cb 0.24 -0.79 0.03 0.00 0.00 0.00 0.00 19.45 18.92 3kjs n ALA 140 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3kjs s SER 141 N -2.22 5.47 0.65 0.00 1.04 -0.89 -4.78 113.70 112.96 3kjs s SER 141 Ca 0.23 1.96 0.38 0.00 0.48 0.00 0.00 55.95 59.00 3kjs s SER 141 Cb 0.19 -2.55 2.10 0.00 0.10 0.00 0.00 66.02 65.86 3kjs s SER 141 CO 0.43 -1.38 2.23 1.55 0.98 0.00 0.00 173.24 177.05 3kjs h PRO 142 N 0.38 0.00 0.00 4.02 0.13 -1.93 -0.65 132.00 133.95 3kjs h PRO 142 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3kjs h PRO 142 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3kjs h PRO 142 CO 0.56 0.00 0.00 -0.91 -0.23 0.00 0.00 178.00 177.42 3kjs h ASN 143 N 0.00 0.00 0.00 1.44 4.21 -1.91 -3.38 115.58 115.93 3kjs h ASN 143 Ca 0.01 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.47 3kjs h ASN 143 Cb 0.20 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.40 3kjs h ASN 143 CO -0.00 0.00 -1.20 -1.22 -1.29 0.00 0.00 177.43 173.72 3kjs n TYR 144 N -2.82 0.00 0.02 1.19 4.01 -0.27 -4.77 117.16 114.52 3kjs n TYR 144 Ca 0.02 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.73 3kjs n TYR 144 Cb 0.32 -0.14 0.23 0.00 -0.31 0.00 0.00 39.34 39.44 3kjs n TYR 144 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 3kjs h THR 145 N 0.00 1.25 -0.18 -0.72 1.35 -1.62 0.25 112.91 113.24 3kjs h THR 145 Ca -0.08 -1.16 -0.03 0.00 -0.55 0.00 0.00 66.41 64.60 3kjs h THR 145 Cb 1.13 1.28 -0.01 0.00 -1.73 0.00 0.00 68.15 68.82 3kjs h THR 145 CO 0.00 0.37 -0.02 -0.65 -0.25 0.00 0.00 175.52 174.97 3kjs h PRO 146 N 0.42 0.26 0.00 4.72 0.11 -1.86 -3.35 132.00 132.29 3kjs h PRO 146 Ca 0.07 -0.04 -0.33 0.00 0.11 0.00 0.00 66.00 65.81 3kjs h PRO 146 Cb 0.59 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 31.60 3kjs h PRO 146 CO 0.04 0.30 -2.25 -1.13 -0.21 0.00 0.00 178.00 174.75 3kjs n SER 147 N -4.37 1.04 -4.49 -2.05 3.41 -0.98 -4.81 113.62 101.38 3kjs n SER 147 Ca -0.00 -0.03 -0.43 0.00 -0.26 0.00 0.00 58.87 58.14 3kjs n SER 147 Cb 0.19 0.58 -0.07 0.00 -0.26 0.00 0.00 64.21 64.64 3kjs n SER 147 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3kjs s ILE 148 N -2.44 4.94 -0.09 -1.33 1.09 0.85 -0.97 121.20 123.25 3kjs s ILE 148 Ca -0.15 -0.21 -0.07 0.00 -1.10 0.00 0.00 60.65 59.11 3kjs s ILE 148 Cb 0.06 -4.16 -0.06 0.00 -1.06 0.00 0.00 42.46 37.24 3kjs s ILE 148 CO 0.68 -0.57 0.25 -0.08 -0.10 0.00 0.00 174.94 175.11 3kjs h GLU 149 N 8.84 -0.09 -5.53 2.79 4.81 -1.45 -3.44 114.58 120.51 3kjs h GLU 149 Ca -0.26 0.01 -0.57 0.00 -0.13 0.00 0.00 59.36 58.41 3kjs h GLU 149 Cb 1.10 0.02 -0.30 0.00 0.63 0.00 0.00 28.75 30.20 3kjs h GLU 149 CO 0.87 0.10 -0.84 0.99 -0.73 0.00 0.00 179.01 179.40 3kjs s THR 150 N -2.01 1.45 -0.17 0.32 2.01 -1.26 -4.93 115.64 111.04 3kjs s THR 150 Ca -0.04 -0.76 -0.07 0.00 0.31 0.00 0.00 61.69 61.13 3kjs s THR 150 Cb -0.00 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.24 3kjs s THR 150 CO 0.16 0.42 0.06 -0.69 -0.69 0.00 0.00 174.62 173.87 3kjs s VAL 151 N -0.18 4.75 -0.15 3.82 1.01 -1.26 -1.66 120.40 126.73 3kjs s VAL 151 Ca 0.01 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.95 3kjs s VAL 151 Cb -0.10 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.16 3kjs s VAL 151 CO 0.01 0.47 -0.18 -0.31 0.00 0.00 0.00 175.10 175.09 3kjs s TYR 152 N 0.27 2.74 -0.45 5.22 2.02 0.40 -0.41 117.35 127.14 3kjs s TYR 152 Ca 0.03 -1.24 -0.26 0.00 -0.37 0.00 0.00 57.07 55.23 3kjs s TYR 152 Cb -0.12 -1.87 0.03 0.00 -0.40 0.00 0.00 41.96 39.59 3kjs s TYR 152 CO 0.00 -0.58 0.98 0.00 -1.57 0.00 0.00 175.55 174.39 3kjs n ILE 154 N 6.45 0.52 0.00 0.00 -5.35 -0.45 -2.18 119.36 118.36 3kjs n ILE 154 Ca 0.08 -0.76 0.00 0.00 -0.27 0.00 0.00 62.75 61.80 3kjs n ILE 154 Cb 0.49 0.90 0.00 0.00 -1.74 0.00 0.00 39.64 39.28 3kjs n ILE 154 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kjs n GLY 155 N 0.91 0.51 0.01 3.28 0.00 -1.24 -4.94 105.19 103.73 3kjs n GLY 155 Ca 0.13 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.91 3kjs n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kjs n GLY 156 N 0.00 0.57 0.26 -0.02 0.00 -1.26 -2.42 105.19 102.32 3kjs n GLY 156 Ca 0.00 -1.28 0.02 0.00 0.00 0.00 0.00 46.02 44.77 3kjs n GLY 156 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kjs h GLY 157 N 0.00 1.02 1.44 -0.02 0.00 -1.97 -0.30 103.07 103.24 3kjs h GLY 157 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 3kjs h GLY 157 CO 0.00 -0.02 0.28 1.48 0.00 0.00 0.00 176.54 178.29 3kjs h SER 158 N 0.49 0.66 -0.03 0.19 4.64 -1.94 0.14 113.55 117.69 3kjs h SER 158 Ca 0.36 -0.05 -0.18 0.00 -0.47 0.00 0.00 61.79 61.45 3kjs h SER 158 Cb 0.45 -0.17 0.01 0.00 -0.31 0.00 0.00 62.40 62.39 3kjs h SER 158 CO -0.32 0.54 -0.69 0.58 -0.87 0.00 0.00 176.83 176.06 3kjs h VAL 159 N 0.75 1.37 -0.89 0.95 2.07 -1.63 -2.13 116.25 116.74 3kjs h VAL 159 Ca 0.19 -2.05 0.04 0.00 0.82 0.00 0.00 66.70 65.70 3kjs h VAL 159 Cb 0.04 2.42 -0.06 0.00 -1.52 0.00 0.00 31.29 32.17 3kjs h VAL 159 CO -0.03 0.61 0.57 1.88 0.02 0.00 0.00 177.57 180.62 3kjs h TYR 160 N 0.10 1.06 -0.55 1.57 0.05 -0.80 0.26 116.97 118.66 3kjs h TYR 160 Ca -0.08 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 58.66 3kjs h TYR 160 Cb 1.37 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 38.74 3kjs h TYR 160 CO 0.13 0.59 0.08 0.00 -1.05 0.00 0.00 178.16 177.90 3kjs h ALA 161 N 1.38 0.74 -0.29 3.88 0.00 -0.71 -1.85 119.26 122.41 3kjs h ALA 161 Ca 0.36 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3kjs h ALA 161 Cb 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3kjs h ALA 161 CO -0.13 0.49 -0.19 1.49 0.00 0.00 0.00 179.25 180.90 3kjs h GLU 162 N 0.82 0.53 -0.12 0.00 4.81 -1.11 -2.73 114.58 116.77 3kjs h GLU 162 Ca 0.17 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3kjs h GLU 162 Cb 0.43 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 3kjs h GLU 162 CO 0.01 0.70 -0.04 0.00 -0.73 0.00 0.00 179.01 178.96 3kjs h ALA 163 N 1.32 1.72 -0.66 2.92 0.00 -0.47 -2.95 119.26 121.13 3kjs h ALA 163 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3kjs h ALA 163 Cb 0.61 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3kjs h ALA 163 CO 0.04 0.21 0.00 1.28 0.00 0.00 0.00 179.25 180.79 3kjs n LEU 164 N -4.39 3.58 -4.33 0.00 7.99 -0.74 -2.70 117.00 116.41 3kjs n LEU 164 Ca -0.01 -1.78 -0.19 0.00 -0.01 0.00 0.00 56.01 54.01 3kjs n LEU 164 Cb 0.18 -0.44 -0.10 0.00 -0.11 0.00 0.00 43.42 42.94 3kjs n LEU 164 CO 0.36 0.89 -0.45 0.00 -1.51 0.00 0.00 177.39 176.68 3kjs s ARG 165 N -1.11 1.28 0.60 3.23 1.70 -1.12 -4.84 118.95 118.69 3kjs s ARG 165 Ca 0.45 -1.51 -0.19 0.00 -0.47 0.00 0.00 55.73 54.01 3kjs s ARG 165 Cb 0.23 -1.14 -0.03 0.00 -0.57 0.00 0.00 34.95 33.45 3kjs s ARG 165 CO 0.31 0.20 1.27 -2.14 -1.08 0.00 0.00 175.30 173.86 3kjs s PRO 166 N -3.35 2.86 0.02 3.89 0.02 -1.26 -2.05 135.00 135.13 3kjs s PRO 166 Ca 0.19 2.00 0.27 0.00 0.02 0.00 0.00 61.00 63.48 3kjs s PRO 166 Cb -0.02 -1.97 0.87 0.00 0.02 0.00 0.00 34.50 33.40 3kjs s PRO 166 CO 0.06 -1.34 1.68 -0.35 -0.33 0.00 0.00 177.00 176.72 3kjs n PRO 167 N -1.58 0.03 -0.33 5.54 -0.04 -1.26 -4.87 135.00 132.50 3kjs n PRO 167 Ca 0.14 0.02 -0.03 0.00 -0.04 0.00 0.00 63.50 63.58 3kjs n PRO 167 Cb 0.48 -1.53 0.09 0.00 -0.04 0.00 0.00 33.50 32.50 3kjs n PRO 167 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kjs h VAL 169 N 1.22 0.90 0.00 0.00 3.04 -1.20 0.07 116.25 120.28 3kjs h VAL 169 Ca 0.33 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.02 3kjs h VAL 169 Cb -0.13 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 30.12 3kjs h VAL 169 CO -0.07 0.00 0.00 0.45 -1.01 0.00 0.00 177.57 176.94 3kjs h HIS 170 N 0.00 0.00 -0.00 3.17 3.86 -1.85 -2.65 115.15 117.68 3kjs h HIS 170 Ca 0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3kjs h HIS 170 Cb 0.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.58 3kjs h HIS 170 CO 0.00 0.00 -0.30 1.28 0.86 0.00 0.00 177.93 179.77 3kjs n LEU 171 N -2.97 0.65 -4.59 2.43 7.99 0.00 -4.87 117.00 115.64 3kjs n LEU 171 Ca 0.02 -0.06 -0.43 0.00 -0.01 0.00 0.00 56.01 55.54 3kjs n LEU 171 Cb 0.38 -0.21 -0.02 0.00 -0.11 0.00 0.00 43.42 43.45 3kjs n LEU 171 CO 0.29 0.13 1.17 -0.22 -1.51 0.00 0.00 177.39 177.25 3kjs s LEU 172 N -2.73 3.55 0.13 2.23 2.96 -1.00 -2.07 118.68 121.75 3kjs s LEU 172 Ca 0.19 0.55 0.17 0.00 -0.22 0.00 0.00 54.13 54.82 3kjs s LEU 172 Cb 0.19 -3.42 -0.08 0.00 0.50 0.00 0.00 46.19 43.38 3kjs s LEU 172 CO 0.58 -1.44 1.00 0.06 -1.32 0.00 0.00 176.35 175.22 3kjs h GLN 173 N 10.25 0.00 -1.88 1.98 3.07 -1.23 -3.43 115.11 123.87 3kjs h GLN 173 Ca -0.26 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.46 3kjs h GLN 173 Cb 1.08 0.00 -0.20 0.00 0.08 0.00 0.00 27.48 28.44 3kjs h GLN 173 CO 1.13 0.32 0.28 0.00 0.09 0.00 0.00 178.83 180.64 3kjs s ALA 174 N -2.97 -1.82 -0.14 0.06 0.00 -1.26 -4.33 121.76 111.31 3kjs s ALA 174 Ca -0.01 1.49 0.02 0.00 0.00 0.00 0.00 51.96 53.46 3kjs s ALA 174 Cb 0.08 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.85 3kjs s ALA 174 CO 0.79 -0.35 -0.21 0.42 0.00 0.00 0.00 175.76 176.41 3kjs s ILE 175 N -0.92 2.14 -0.39 0.00 1.01 0.90 -0.52 121.20 123.41 3kjs s ILE 175 Ca -0.07 -0.96 -0.09 0.00 0.00 0.00 0.00 60.65 59.53 3kjs s ILE 175 Cb -0.01 -1.86 0.06 0.00 0.01 0.00 0.00 42.46 40.66 3kjs s ILE 175 CO 0.06 0.55 0.22 -0.31 0.00 0.00 0.00 174.94 175.46 3kjs s TYR 176 N 0.78 3.30 -0.16 3.97 1.51 0.23 -0.10 117.35 126.88 3kjs s TYR 176 Ca -0.08 -1.35 -0.01 0.00 -1.01 0.00 0.00 57.07 54.62 3kjs s TYR 176 Cb -0.16 -2.69 -0.01 0.00 -0.11 0.00 0.00 41.96 39.00 3kjs s TYR 176 CO -0.01 -0.77 -0.10 0.50 -1.11 0.00 0.00 175.55 174.06 3kjs s ARG 177 N 1.46 3.36 -0.17 -0.62 3.52 -0.79 -1.31 118.95 124.39 3kjs s ARG 177 Ca 0.02 -0.67 -0.15 0.00 -0.13 0.00 0.00 55.73 54.80 3kjs s ARG 177 Cb -0.21 -2.76 -0.04 0.00 -1.56 0.00 0.00 34.95 30.37 3kjs s ARG 177 CO 0.04 0.04 0.34 0.99 -0.81 0.00 0.00 175.30 175.89 3kjs s THR 178 N 0.80 5.27 -0.27 4.11 2.01 0.36 -1.74 115.64 126.18 3kjs s THR 178 Ca -0.04 0.62 -0.11 0.00 0.31 0.00 0.00 61.69 62.47 3kjs s THR 178 Cb -0.15 -3.67 -0.05 0.00 0.01 0.00 0.00 72.50 68.64 3kjs s THR 178 CO 0.01 0.34 0.18 -0.89 -0.69 0.00 0.00 174.62 173.57 3kjs s THR 179 N 0.76 5.31 -0.34 -0.82 2.01 -0.58 -0.42 115.64 121.55 3kjs s THR 179 Ca 0.18 0.17 -0.15 0.00 0.31 0.00 0.00 61.69 62.20 3kjs s THR 179 Cb -0.14 -3.52 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 3kjs s THR 179 CO 0.06 0.27 0.33 -0.63 -0.69 0.00 0.00 174.62 173.95 3kjs s ILE 180 N 1.63 5.20 -1.28 1.82 -1.09 0.31 -2.48 121.20 125.31 3kjs s ILE 180 Ca 0.07 -0.04 -0.19 0.00 -2.23 0.00 0.00 60.65 58.26 3kjs s ILE 180 Cb -0.16 -3.79 0.04 0.00 -1.58 0.00 0.00 42.46 36.97 3kjs s ILE 180 CO 0.10 -0.07 1.79 0.54 -1.23 0.00 0.00 174.94 176.06 3kjs n ARG 181 N 5.30 2.86 0.00 2.79 5.12 0.24 -3.49 116.66 129.48 3kjs n ARG 181 Ca -0.10 -3.10 0.00 0.00 -1.93 0.00 0.00 57.85 52.72 3kjs n ARG 181 Cb 0.49 -3.55 0.00 0.00 -1.16 0.00 0.00 32.46 28.25 3kjs n ARG 181 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kjs n ALA 182 N 9.63 0.00 0.00 7.54 0.00 -1.26 -4.22 120.51 132.19 3kjs n ALA 182 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3kjs n ALA 182 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 3kjs n ALA 182 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kjs n GLU 184 N 0.00 0.00 0.15 0.00 4.71 -1.26 -5.04 120.64 119.20 3kjs n GLU 184 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.16 57.27 3kjs n GLU 184 Cb 0.00 0.00 0.24 0.00 -1.01 0.00 0.00 31.44 30.67 3kjs n GLU 184 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 3kjs h SER 185 N 0.00 0.00 1.04 1.62 4.64 -2.04 -3.32 113.55 115.49 3kjs h SER 185 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3kjs h SER 185 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3kjs h SER 185 CO 0.00 0.01 0.00 0.77 -0.87 0.00 0.00 176.83 176.74 3kjs h SER 186 N 0.00 0.00 -2.42 4.97 4.64 -1.99 -3.45 113.55 115.31 3kjs h SER 186 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3kjs h SER 186 Cb 0.87 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.99 3kjs h SER 186 CO 0.00 0.00 1.20 0.00 -0.87 0.00 0.00 176.83 177.16 3kjs n SER 188 N 6.94 0.83 -4.26 0.00 3.41 -0.57 -4.95 113.62 115.02 3kjs n SER 188 Ca 0.19 -0.92 -0.32 0.00 -0.26 0.00 0.00 58.87 57.57 3kjs n SER 188 Cb 0.40 0.21 -0.17 0.00 -0.26 0.00 0.00 64.21 64.39 3kjs n SER 188 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kjs s VAL 189 N -0.26 2.07 0.09 -3.33 1.01 -0.53 -4.95 120.40 114.51 3kjs s VAL 189 Ca 0.01 -1.06 0.05 0.00 0.00 0.00 0.00 61.98 60.98 3kjs s VAL 189 Cb 0.00 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 3kjs s VAL 189 CO 0.01 0.57 -0.14 -0.36 0.00 0.00 0.00 175.10 175.18 3kjs s PHE 190 N -0.09 1.28 -0.07 5.22 0.40 -1.26 -1.30 117.98 122.17 3kjs s PHE 190 Ca -0.06 -0.52 -0.03 0.00 -0.60 0.00 0.00 56.93 55.72 3kjs s PHE 190 Cb -0.14 -0.70 0.04 0.00 0.51 0.00 0.00 43.02 42.73 3kjs s PHE 190 CO 0.05 0.09 0.15 0.12 0.70 0.00 0.00 175.22 176.32 3kjs s PHE 191 N -1.73 -0.17 -0.02 0.36 5.36 0.10 -4.91 117.98 116.98 3kjs s PHE 191 Ca 0.03 0.51 0.00 0.00 -0.96 0.00 0.00 56.93 56.51 3kjs s PHE 191 Cb -0.07 -0.10 0.02 0.00 -0.34 0.00 0.00 43.02 42.53 3kjs s PHE 191 CO 0.02 -0.18 0.01 1.03 -1.46 0.00 0.00 175.22 174.64 3kjs s ARG 192 N 1.32 0.11 -0.21 10.12 0.52 -1.26 -4.58 118.95 124.97 3kjs s ARG 192 Ca -0.08 0.09 -0.29 0.00 -0.52 0.00 0.00 55.73 54.93 3kjs s ARG 192 Cb -0.12 -0.29 -0.00 0.00 0.52 0.00 0.00 34.95 35.07 3kjs s ARG 192 CO -0.06 -0.10 1.16 0.08 0.02 0.00 0.00 175.30 176.40 3kjs s VAL 193 N 0.75 4.45 0.16 3.52 1.01 -1.26 -5.00 120.40 124.04 3kjs s VAL 193 Ca -0.07 1.74 -0.31 0.00 0.00 0.00 0.00 61.98 63.35 3kjs s VAL 193 Cb -0.10 -4.16 -0.09 0.00 0.00 0.00 0.00 36.38 32.03 3kjs s VAL 193 CO -0.02 -0.20 1.46 -2.84 0.00 0.00 0.00 175.10 173.51 3kjs s PRO 194 N 3.43 4.28 0.69 2.72 0.02 -1.26 -4.99 135.00 139.88 3kjs s PRO 194 Ca 0.50 2.22 -0.14 0.00 0.02 0.00 0.00 61.00 63.59 3kjs s PRO 194 Cb -0.18 -3.19 0.01 0.00 0.02 0.00 0.00 34.50 31.17 3kjs s PRO 194 CO 0.12 -0.48 1.12 -1.21 -0.33 0.00 0.00 177.00 176.22 3kjs s GLU 195 N 0.80 2.60 0.20 5.54 2.02 -1.26 -4.72 118.70 123.88 3kjs s GLU 195 Ca 0.65 1.43 -0.31 0.00 0.02 0.00 0.00 54.97 56.77 3kjs s GLU 195 Cb -0.40 -1.92 -0.10 0.00 0.10 0.00 0.00 34.13 31.81 3kjs s GLU 195 CO 0.33 -1.41 1.47 0.45 0.02 0.00 0.00 175.26 176.12 3kjs s SER 196 N -2.57 6.67 0.00 -0.19 0.15 -1.26 -2.38 113.70 114.12 3kjs s SER 196 Ca 0.68 2.59 0.00 0.00 0.70 0.00 0.00 55.95 59.92 3kjs s SER 196 Cb -0.22 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.49 3kjs s SER 196 CO 0.44 -0.73 0.00 0.61 1.20 0.00 0.00 173.24 174.76 3kjs n GLY 197 N 2.89 3.23 3.77 9.45 0.00 -1.26 -5.04 105.19 118.23 3kjs n GLY 197 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 3kjs n GLY 197 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kjs s THR 198 N -2.03 3.35 0.18 2.61 -4.23 -1.00 -4.96 115.64 109.56 3kjs s THR 198 Ca 0.00 0.48 -0.13 0.00 -1.18 0.00 0.00 61.69 60.86 3kjs s THR 198 Cb 0.00 -2.99 0.09 0.00 1.34 0.00 0.00 72.50 70.94 3kjs s THR 198 CO 0.00 -0.54 1.83 -0.33 -0.54 0.00 0.00 174.62 175.05 3kjs h GLU 199 N -0.85 0.79 0.00 3.99 3.07 -1.96 -2.70 114.58 116.92 3kjs h GLU 199 Ca -0.44 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.36 3kjs h GLU 199 Cb 1.23 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 3kjs h GLU 199 CO 0.52 0.55 0.00 0.00 -1.40 0.00 0.00 179.01 178.68 3kjs h ALA 200 N 1.20 1.00 0.00 3.43 0.00 -1.93 -2.89 119.26 120.07 3kjs h ALA 200 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3kjs h ALA 200 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kjs h ALA 200 CO -0.04 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.21 3kjs n ALA 201 N -2.03 1.85 -3.30 0.00 0.00 -1.02 -4.88 120.51 111.13 3kjs n ALA 201 Ca -0.00 0.05 -0.24 0.00 0.00 0.00 0.00 53.44 53.25 3kjs n ALA 201 Cb 0.21 -1.41 0.03 0.00 0.00 0.00 0.00 19.45 18.27 3kjs n ALA 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kjs n ALA 202 N -1.78 -1.08 0.00 0.00 0.00 -1.09 -1.72 120.51 114.84 3kjs n ALA 202 Ca 0.03 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.71 3kjs n ALA 202 Cb 0.29 -3.87 0.00 0.00 0.00 0.00 0.00 19.45 15.87 3kjs n ALA 202 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kjs n GLY 203 N -1.51 1.85 3.74 0.00 0.00 -1.26 -5.03 105.19 102.98 3kjs n GLY 203 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 3kjs n GLY 203 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kjs s ILE 204 N -2.40 4.61 -0.69 -0.61 1.01 -0.70 -5.02 121.20 117.40 3kjs s ILE 204 Ca 0.00 1.82 -0.08 0.00 0.00 0.00 0.00 60.65 62.39 3kjs s ILE 204 Cb 0.00 -4.20 0.18 0.00 0.01 0.00 0.00 42.46 38.45 3kjs s ILE 204 CO 0.00 0.36 0.56 -1.61 0.00 0.00 0.00 174.94 174.25 3kjs s GLU 205 N -0.12 2.98 0.18 2.79 2.02 -1.26 -4.59 118.70 120.70 3kjs s GLU 205 Ca 0.42 -2.42 -0.30 0.00 0.02 0.00 0.00 54.97 52.68 3kjs s GLU 205 Cb -0.22 -4.04 -0.08 0.00 0.10 0.00 0.00 34.13 29.89 3kjs s GLU 205 CO 0.26 -1.22 1.27 -1.58 0.02 0.00 0.00 175.26 174.00 3kjs s TRP 206 N 0.18 3.32 0.01 1.61 0.52 -1.26 -1.19 118.94 122.13 3kjs s TRP 206 Ca 0.16 1.28 0.03 0.00 0.02 0.00 0.00 56.10 57.59 3kjs s TRP 206 Cb -0.17 -3.54 -0.01 0.00 -1.15 0.00 0.00 33.47 28.60 3kjs s TRP 206 CO -0.05 -1.65 -0.09 -0.65 0.02 0.00 0.00 176.95 174.53 3kjs s GLN 207 N -0.04 0.67 -0.08 4.98 -0.21 -0.34 -4.62 119.66 120.02 3kjs s GLN 207 Ca 0.56 -0.40 -0.30 0.00 0.02 0.00 0.00 55.36 55.24 3kjs s GLN 207 Cb -0.35 -0.62 -0.04 0.00 1.00 0.00 0.00 33.01 33.00 3kjs s GLN 207 CO 0.37 0.16 1.39 0.50 -2.12 0.00 0.00 175.29 175.59 3kjs s ARG 208 N -0.48 4.25 -0.24 2.91 3.52 -1.26 -1.25 118.95 126.39 3kjs s ARG 208 Ca 0.01 1.87 -0.15 0.00 -0.13 0.00 0.00 55.73 57.33 3kjs s ARG 208 Cb -0.05 -3.74 -0.16 0.00 -1.56 0.00 0.00 34.95 29.44 3kjs s ARG 208 CO -0.00 -0.68 -0.05 -1.91 -0.81 0.00 0.00 175.30 171.85 3kjs n GLU 209 N 6.24 0.60 -4.11 5.12 2.13 0.62 -4.96 120.64 126.28 3kjs n GLU 209 Ca 0.14 0.38 -0.12 0.00 0.66 0.00 0.00 57.16 58.22 3kjs n GLU 209 Cb 0.44 -1.62 -0.11 0.00 0.27 0.00 0.00 31.44 30.42 3kjs n GLU 209 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 3kjs s THR 210 N -2.45 0.63 -0.01 6.31 -4.23 -1.17 -4.98 115.64 109.74 3kjs s THR 210 Ca -0.33 -1.40 0.00 0.00 -1.18 0.00 0.00 61.69 58.78 3kjs s THR 210 Cb 0.10 -1.03 0.01 0.00 1.34 0.00 0.00 72.50 72.93 3kjs s THR 210 CO 0.56 -0.55 0.00 -0.51 -0.54 0.00 0.00 174.62 173.58 3kjs s ILE 211 N -2.18 0.05 0.75 2.99 2.07 -1.26 -1.61 121.20 122.00 3kjs s ILE 211 Ca -0.02 0.04 -0.11 0.00 -1.41 0.00 0.00 60.65 59.16 3kjs s ILE 211 Cb -0.05 -0.10 0.05 0.00 0.13 0.00 0.00 42.46 42.50 3kjs s ILE 211 CO -0.01 0.05 1.11 -0.94 -1.91 0.00 0.00 174.94 173.24 3kjs s SER 212 N 0.38 4.92 0.76 4.50 1.04 0.55 -5.00 113.70 120.84 3kjs s SER 212 Ca -0.03 0.84 -0.11 0.00 0.48 0.00 0.00 55.95 57.13 3kjs s SER 212 Cb -0.05 -1.48 0.05 0.00 0.10 0.00 0.00 66.02 64.63 3kjs s SER 212 CO -0.01 -1.63 1.09 -1.83 0.98 0.00 0.00 173.24 171.84 3kjs s GLU 213 N -5.42 2.35 -0.26 4.02 -1.05 -1.26 -4.71 118.70 112.35 3kjs s GLU 213 Ca 0.60 1.15 -0.29 0.00 -0.15 0.00 0.00 54.97 56.28 3kjs s GLU 213 Cb -0.11 -1.91 0.01 0.00 -0.44 0.00 0.00 34.13 31.68 3kjs s GLU 213 CO 0.49 -1.57 1.07 -2.00 0.95 0.00 0.00 175.26 174.20 3kjs s GLU 214 N -4.89 4.17 0.30 -4.83 2.12 -1.26 -4.67 118.70 109.64 3kjs s GLU 214 Ca 0.61 1.26 0.09 0.00 0.36 0.00 0.00 54.97 57.29 3kjs s GLU 214 Cb -0.17 -3.69 -0.04 0.00 0.26 0.00 0.00 34.13 30.48 3kjs s GLU 214 CO 0.55 -0.76 0.06 -0.51 -0.54 0.00 0.00 175.26 174.06 3kjs s LEU 215 N 3.44 3.21 -0.08 2.70 1.43 -0.61 -4.95 118.68 123.82 3kjs s LEU 215 Ca 0.46 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 3kjs s LEU 215 Cb -0.14 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 3kjs s LEU 215 CO 0.11 -0.13 -0.07 0.42 0.23 0.00 0.00 176.35 176.90 3kjs s THR 216 N -2.38 3.64 0.44 5.49 -4.23 -1.26 -1.17 115.64 116.18 3kjs s THR 216 Ca 0.34 -0.49 -0.20 0.00 -1.18 0.00 0.00 61.69 60.15 3kjs s THR 216 Cb -0.04 -2.50 -0.10 0.00 1.34 0.00 0.00 72.50 71.19 3kjs s THR 216 CO 0.21 0.58 0.96 -0.55 -0.54 0.00 0.00 174.62 175.28 3kjs s SER 217 N -0.62 6.87 -0.48 3.99 0.15 0.53 -4.92 113.70 119.22 3kjs s SER 217 Ca 0.09 1.69 -0.03 0.00 0.70 0.00 0.00 55.95 58.40 3kjs s SER 217 Cb -0.12 -2.54 0.19 0.00 -1.71 0.00 0.00 66.02 61.85 3kjs s SER 217 CO 0.02 -0.41 2.36 0.00 1.20 0.00 0.00 173.24 176.41 3kjs n ALA 218 N -0.78 6.03 0.68 5.45 0.00 -1.26 -3.97 120.51 126.65 3kjs n ALA 218 Ca 0.07 -2.78 0.08 0.00 0.00 0.00 0.00 53.44 50.80 3kjs n ALA 218 Cb 0.54 -1.84 0.02 0.00 0.00 0.00 0.00 19.45 18.17 3kjs n ALA 218 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3kjs n ASN 219 N 0.33 1.87 0.00 0.00 6.94 -1.26 -4.99 115.26 118.14 3kjs n ASN 219 Ca 0.45 -1.44 0.00 0.00 -0.02 0.00 0.00 54.58 53.58 3kjs n ASN 219 Cb 0.54 0.29 0.00 0.00 -2.36 0.00 0.00 39.78 38.24 3kjs n ASN 219 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kjs n GLY 220 N 1.03 2.18 0.44 4.83 0.00 -1.26 -4.82 105.19 107.59 3kjs n GLY 220 Ca 0.08 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.04 3kjs n GLY 220 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kjs n ASN 221 N 0.11 1.62 -4.09 1.61 3.02 -1.26 -4.97 115.26 111.30 3kjs n ASN 221 Ca 0.00 -1.30 -0.28 0.00 -0.03 0.00 0.00 54.58 52.97 3kjs n ASN 221 Cb 0.00 0.19 -0.05 0.00 -0.61 0.00 0.00 39.78 39.31 3kjs n ASN 221 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kjs n GLU 222 N -0.09 -2.47 -2.11 3.52 1.02 -1.25 -4.86 120.64 114.38 3kjs n GLU 222 Ca 0.13 0.29 -0.42 0.00 -0.02 0.00 0.00 57.16 57.14 3kjs n GLU 222 Cb 0.41 -4.22 -0.03 0.00 -0.02 0.00 0.00 31.44 27.58 3kjs n GLU 222 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3kjs s THR 223 N -4.09 3.20 0.37 2.62 2.01 -1.26 -4.46 115.64 114.03 3kjs s THR 223 Ca 0.02 0.82 -0.25 0.00 0.31 0.00 0.00 61.69 62.60 3kjs s THR 223 Cb -0.01 -3.53 -0.10 0.00 0.01 0.00 0.00 72.50 68.87 3kjs s THR 223 CO 0.93 0.05 0.99 -0.54 -0.69 0.00 0.00 174.62 175.36 3kjs s LYS 224 N 1.40 4.38 0.03 4.92 -0.14 -1.26 -0.35 119.74 128.73 3kjs s LYS 224 Ca 0.66 1.38 -0.24 0.00 -1.36 0.00 0.00 55.97 56.41 3kjs s LYS 224 Cb -0.38 -2.62 0.05 0.00 -1.68 0.00 0.00 37.83 33.20 3kjs s LYS 224 CO 0.30 0.08 0.54 1.52 -0.76 0.00 0.00 175.35 177.03 3kjs s TYR 225 N -1.70 -0.46 0.10 3.18 1.13 -0.31 -0.59 117.35 118.70 3kjs s TYR 225 Ca 0.55 0.57 -0.10 0.00 -1.41 0.00 0.00 57.07 56.68 3kjs s TYR 225 Cb -0.19 0.35 0.00 0.00 -1.10 0.00 0.00 41.96 41.03 3kjs s TYR 225 CO 0.24 -0.63 0.23 1.52 -2.51 0.00 0.00 175.55 174.40 3kjs s TYR 226 N -2.22 0.13 -0.00 -3.49 1.13 -1.04 -1.57 117.35 110.28 3kjs s TYR 226 Ca -0.06 -0.53 0.04 0.00 -1.41 0.00 0.00 57.07 55.11 3kjs s TYR 226 Cb -0.01 -0.01 -0.03 0.00 -1.10 0.00 0.00 41.96 40.81 3kjs s TYR 226 CO 0.00 -0.59 -0.12 -0.06 -2.51 0.00 0.00 175.55 172.28 3kjs s PHE 227 N -3.86 2.76 0.02 -3.49 0.08 -1.26 -1.53 117.98 110.69 3kjs s PHE 227 Ca 0.06 -0.12 0.00 0.00 0.12 0.00 0.00 56.93 56.99 3kjs s PHE 227 Cb 0.04 -1.58 -0.02 0.00 -0.57 0.00 0.00 43.02 40.89 3kjs s PHE 227 CO -0.10 0.29 -0.04 -1.83 -0.10 0.00 0.00 175.22 173.45 3kjs s GLU 228 N -1.23 0.35 -0.22 0.44 -1.05 -0.71 -0.33 118.70 115.95 3kjs s GLU 228 Ca 0.15 -0.64 -0.06 0.00 -0.15 0.00 0.00 54.97 54.28 3kjs s GLU 228 Cb -0.11 0.03 -0.02 0.00 -0.44 0.00 0.00 34.13 33.59 3kjs s GLU 228 CO 0.05 -0.03 0.02 0.21 0.95 0.00 0.00 175.26 176.46 3kjs s LYS 229 N -1.48 3.60 -0.01 -4.83 2.20 -0.64 -1.88 119.74 116.71 3kjs s LYS 229 Ca -0.15 -0.52 0.02 0.00 -0.36 0.00 0.00 55.97 54.96 3kjs s LYS 229 Cb -0.10 -3.14 -0.03 0.00 -1.51 0.00 0.00 37.83 33.04 3kjs s LYS 229 CO -0.01 -0.07 -0.03 -0.51 -0.36 0.00 0.00 175.35 174.37 3kjs s LEU 230 N 1.23 3.34 0.02 5.43 1.43 0.85 -0.27 118.68 130.71 3kjs s LEU 230 Ca 0.04 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 3kjs s LEU 230 Cb -0.15 -1.88 -0.02 0.00 0.03 0.00 0.00 46.19 44.18 3kjs s LEU 230 CO 0.02 0.30 -0.04 0.27 0.23 0.00 0.00 176.35 177.12 3kjs s ILE 231 N -1.00 0.26 0.15 -0.59 -4.36 -0.38 -0.07 121.20 115.21 3kjs s ILE 231 Ca 0.17 -0.81 -0.30 0.00 -0.26 0.00 0.00 60.65 59.46 3kjs s ILE 231 Cb -0.11 -0.35 -0.07 0.00 1.25 0.00 0.00 42.46 43.18 3kjs s ILE 231 CO 0.07 -0.36 1.01 -2.16 0.24 0.00 0.00 174.94 173.75 3kjs s PRO 232 N -1.23 4.67 -0.04 0.37 0.04 -1.26 -1.20 135.00 136.35 3kjs s PRO 232 Ca -0.11 1.56 -0.30 0.00 0.04 0.00 0.00 61.00 62.20 3kjs s PRO 232 Cb -0.08 -3.33 -0.06 0.00 0.04 0.00 0.00 34.50 31.07 3kjs s PRO 232 CO -0.00 0.19 1.79 0.50 0.04 0.00 0.00 177.00 179.52 3kjs s ARG 233 N -0.28 4.08 -1.10 4.56 3.52 -0.33 -4.78 118.95 124.63 3kjs s ARG 233 Ca 0.47 2.29 -0.17 0.00 -0.13 0.00 0.00 55.73 58.20 3kjs s ARG 233 Cb -0.26 -4.07 0.14 0.00 -1.56 0.00 0.00 34.95 29.20 3kjs s ARG 233 CO 0.32 -0.98 1.34 1.21 -0.81 0.00 0.00 175.30 176.38 3kjs s ASN 234 N 4.06 6.85 0.45 -2.12 3.84 -1.26 -4.73 114.94 122.03 3kjs s ASN 234 Ca 0.80 -2.50 0.12 0.00 0.21 0.00 0.00 52.86 51.49 3kjs s ASN 234 Cb -0.36 -2.42 1.04 0.00 -0.55 0.00 0.00 41.25 38.96 3kjs s ASN 234 CO 0.34 -0.94 2.05 0.03 -2.79 0.00 0.00 177.10 175.79 3kjs h ARG 235 N 7.98 0.34 -0.41 0.43 2.47 -1.97 -2.44 114.38 120.78 3kjs h ARG 235 Ca 0.26 -0.02 -0.11 0.00 -1.26 0.00 0.00 59.98 58.85 3kjs h ARG 235 Cb 0.94 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.17 3kjs h ARG 235 CO 1.22 0.22 -0.16 0.93 0.56 0.00 0.00 179.97 182.74 3kjs h GLU 236 N 0.35 0.83 -0.08 0.04 5.08 -1.89 -1.57 114.58 117.33 3kjs h GLU 236 Ca 0.16 -0.35 -0.18 0.00 -1.00 0.00 0.00 59.36 58.00 3kjs h GLU 236 Cb 0.21 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3kjs h GLU 236 CO -0.04 0.98 -0.70 1.49 -1.00 0.00 0.00 179.01 179.75 3kjs h GLU 237 N 0.64 0.38 -1.00 2.33 4.81 -1.89 -3.00 114.58 116.85 3kjs h GLU 237 Ca 0.10 -0.30 0.10 0.00 -0.13 0.00 0.00 59.36 59.12 3kjs h GLU 237 Cb 0.71 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 30.07 3kjs h GLU 237 CO 0.05 0.93 0.64 0.93 -0.73 0.00 0.00 179.01 180.83 3kjs h GLU 238 N 0.26 1.05 -0.79 1.92 5.08 -1.30 0.31 114.58 121.11 3kjs h GLU 238 Ca -0.02 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3kjs h GLU 238 Cb 1.26 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 3kjs h GLU 238 CO 0.12 0.69 0.52 0.37 -1.00 0.00 0.00 179.01 179.71 3kjs h GLN 239 N 1.08 1.04 -0.11 2.33 4.15 -1.15 0.45 115.11 122.89 3kjs h GLN 239 Ca 0.47 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.78 3kjs h GLN 239 Cb 0.34 -0.23 -0.00 0.00 0.21 0.00 0.00 27.48 27.80 3kjs h GLN 239 CO -0.22 0.69 -0.08 -0.92 -1.93 0.00 0.00 178.83 176.37 3kjs h TYR 240 N 1.07 0.30 -0.59 3.99 3.20 -1.12 -2.70 116.97 121.12 3kjs h TYR 240 Ca 0.29 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 62.06 3kjs h TYR 240 Cb -0.12 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.06 3kjs h TYR 240 CO 0.00 0.64 0.30 -0.07 -1.64 0.00 0.00 178.16 177.38 3kjs h LEU 241 N -0.12 0.74 -0.68 2.82 3.38 -0.39 -2.13 115.31 118.94 3kjs h LEU 241 Ca 0.02 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 3kjs h LEU 241 Cb 0.57 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3kjs h LEU 241 CO 0.02 0.62 0.06 0.28 0.09 0.00 0.00 178.44 179.52 3kjs h SER 242 N 0.83 1.05 -0.07 -0.43 0.02 -0.13 -1.46 113.55 113.36 3kjs h SER 242 Ca 0.21 -0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3kjs h SER 242 Cb 0.07 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.32 3kjs h SER 242 CO -0.03 1.06 0.04 0.25 -1.14 0.00 0.00 176.83 177.01 3kjs h LEU 243 N 1.01 0.09 -0.26 5.07 5.85 -1.14 -0.84 115.31 125.08 3kjs h LEU 243 Ca 0.19 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.87 3kjs h LEU 243 Cb 0.49 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 3kjs h LEU 243 CO 0.02 0.15 -0.01 0.58 -0.34 0.00 0.00 178.44 178.83 3kjs h VAL 244 N 0.03 0.79 -0.85 1.05 2.07 -1.28 -0.95 116.25 117.11 3kjs h VAL 244 Ca 0.03 -0.02 0.05 0.00 0.82 0.00 0.00 66.70 67.58 3kjs h VAL 244 Cb 0.08 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 3kjs h VAL 244 CO -0.00 0.01 0.53 -0.78 0.02 0.00 0.00 177.57 177.35 3kjs h ASP 245 N 0.06 0.85 -0.52 0.57 3.58 -1.12 -0.88 116.42 118.96 3kjs h ASP 245 Ca 0.13 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.50 3kjs h ASP 245 Cb 0.17 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 3kjs h ASP 245 CO -0.22 0.56 -0.01 -0.09 -2.88 0.00 0.00 179.24 176.59 3kjs h ARG 246 N 0.99 0.97 -0.49 0.28 2.43 -0.60 -0.08 114.38 117.89 3kjs h ARG 246 Ca 0.36 -0.30 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3kjs h ARG 246 Cb 0.12 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 3kjs h ARG 246 CO -0.16 0.96 0.24 0.82 -1.51 0.00 0.00 179.97 180.32 3kjs h ILE 247 N 0.89 1.19 -0.54 1.20 2.04 -0.50 0.40 117.51 122.20 3kjs h ILE 247 Ca 0.16 -0.54 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 3kjs h ILE 247 Cb 0.54 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 3kjs h ILE 247 CO 0.03 0.21 0.12 0.40 0.00 0.00 0.00 178.15 178.91 3kjs h ILE 248 N 0.65 1.25 0.00 -0.67 2.04 -0.92 0.28 117.51 120.13 3kjs h ILE 248 Ca 0.17 -0.88 -0.20 0.00 1.00 0.00 0.00 64.86 64.94 3kjs h ILE 248 Cb 0.12 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 3kjs h ILE 248 CO -0.02 0.32 -0.97 0.03 0.00 0.00 0.00 178.15 177.51 3kjs h ARG 249 N 0.76 0.00 0.00 2.37 3.08 -0.81 -3.40 114.38 116.37 3kjs h ARG 249 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3kjs h ARG 249 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3kjs h ARG 249 CO 0.00 0.94 -0.20 0.39 -1.07 0.00 0.00 179.97 180.04 3kjs n GLU 250 N -3.33 3.25 -1.69 0.04 1.02 0.14 -5.07 120.64 114.99 3kjs n GLU 250 Ca -0.00 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.78 3kjs n GLU 250 Cb 0.92 -0.45 0.07 0.00 -0.02 0.00 0.00 31.44 31.97 3kjs n GLU 250 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3kjs s GLY 251 N -0.67 2.63 0.16 0.62 0.00 0.98 -4.98 107.32 106.05 3kjs s GLY 251 Ca 0.00 1.03 -0.12 0.00 0.00 0.00 0.00 44.72 45.63 3kjs s GLY 251 CO 0.00 1.44 0.53 -1.31 0.00 0.00 0.00 173.10 173.76 3kjs s ASN 252 N -1.70 6.74 -0.01 1.64 0.02 -0.04 -4.59 114.94 117.00 3kjs s ASN 252 Ca 0.78 0.99 -0.30 0.00 -1.02 0.00 0.00 52.86 53.31 3kjs s ASN 252 Cb -0.32 -2.25 -0.06 0.00 0.02 0.00 0.00 41.25 38.64 3kjs s ASN 252 CO 0.40 0.07 1.48 -0.69 0.02 0.00 0.00 177.10 178.37 3kjs s VAL 253 N -1.55 3.63 0.26 1.60 1.01 -1.26 -0.90 120.40 123.18 3kjs s VAL 253 Ca 0.40 0.96 0.03 0.00 0.00 0.00 0.00 61.98 63.37 3kjs s VAL 253 Cb -0.14 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 3kjs s VAL 253 CO 0.20 -0.02 0.04 -0.54 0.00 0.00 0.00 175.10 174.77 3kjs s LYS 254 N 2.83 1.43 -0.02 2.72 1.02 0.02 -4.98 119.74 122.75 3kjs s LYS 254 Ca 0.66 -1.75 0.04 0.00 0.02 0.00 0.00 55.97 54.94 3kjs s LYS 254 Cb -0.32 -0.56 -0.01 0.00 -0.52 0.00 0.00 37.83 36.42 3kjs s LYS 254 CO 0.27 -0.18 -0.15 -1.01 -0.92 0.00 0.00 175.35 173.36 3kjs s HIS 255 N -3.50 1.41 0.40 3.18 3.76 -1.26 0.15 115.29 119.43 3kjs s HIS 255 Ca 0.33 -0.32 -0.06 0.00 -0.15 0.00 0.00 55.06 54.86 3kjs s HIS 255 Cb 0.07 -0.93 0.09 0.00 1.11 0.00 0.00 32.58 32.92 3kjs s HIS 255 CO 0.12 -0.08 0.54 -0.40 -0.85 0.00 0.00 174.74 174.07 3kjs n ASP 256 N 2.93 0.12 0.27 1.40 5.68 -0.32 -4.84 116.55 121.79 3kjs n ASP 256 Ca -0.16 -1.24 0.13 0.00 -0.50 0.00 0.00 54.79 53.02 3kjs n ASP 256 Cb 0.54 -0.41 0.82 0.00 -1.14 0.00 0.00 41.12 40.94 3kjs n ASP 256 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 3kjs h ARG 257 N 0.00 0.00 -0.02 0.11 3.08 -2.02 -0.40 114.38 115.14 3kjs h ARG 257 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.87 3kjs h ARG 257 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3kjs h ARG 257 CO 0.13 0.00 -0.23 0.25 -1.07 0.00 0.00 179.97 179.05 3kjs n THR 258 N -4.06 0.00 -0.30 2.04 -2.24 -1.26 -4.96 114.28 103.49 3kjs n THR 258 Ca -0.02 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 3kjs n THR 258 Cb 0.11 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 3kjs n THR 258 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kjs n GLY 259 N 1.33 0.77 3.74 3.38 0.00 -0.16 -5.06 105.19 109.19 3kjs n GLY 259 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3kjs n GLY 259 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kjs s VAL 260 N -2.24 4.01 0.29 1.61 1.01 -1.26 -4.71 120.40 119.11 3kjs s VAL 260 Ca 0.00 1.72 -0.29 0.00 0.00 0.00 0.00 61.98 63.41 3kjs s VAL 260 Cb 0.00 -4.10 -0.10 0.00 0.00 0.00 0.00 36.38 32.18 3kjs s VAL 260 CO 0.00 0.29 1.17 -0.83 0.00 0.00 0.00 175.10 175.73 3kjs s GLY 261 N -0.10 3.01 0.16 4.51 0.00 -1.26 -1.18 107.32 112.47 3kjs s GLY 261 Ca 0.49 1.01 0.04 0.00 0.00 0.00 0.00 44.72 46.26 3kjs s GLY 261 CO 0.34 1.65 -0.09 -0.51 0.00 0.00 0.00 173.10 174.49 3kjs s THR 262 N -1.06 1.15 -0.14 0.90 -4.23 0.12 -1.75 115.64 110.63 3kjs s THR 262 Ca 0.46 -2.06 -0.04 0.00 -1.18 0.00 0.00 61.69 58.88 3kjs s THR 262 Cb -0.34 -1.91 -0.03 0.00 1.34 0.00 0.00 72.50 71.56 3kjs s THR 262 CO 0.44 -0.70 -0.01 -0.76 -0.54 0.00 0.00 174.62 173.05 3kjs s LEU 263 N -3.18 3.43 -0.01 4.79 1.43 0.50 -0.80 118.68 124.83 3kjs s LEU 263 Ca 0.18 -0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 53.15 3kjs s LEU 263 Cb 0.03 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.45 3kjs s LEU 263 CO 0.01 0.23 0.24 -0.94 0.23 0.00 0.00 176.35 176.13 3kjs s SER 264 N -0.02 -0.12 0.24 2.29 1.04 -0.08 -1.04 113.70 116.01 3kjs s SER 264 Ca 0.02 0.01 0.11 0.00 0.48 0.00 0.00 55.95 56.58 3kjs s SER 264 Cb -0.13 0.29 -0.05 0.00 0.10 0.00 0.00 66.02 66.23 3kjs s SER 264 CO 0.02 -0.39 -0.21 0.27 0.98 0.00 0.00 173.24 173.91 3kjs s ILE 265 N -1.23 2.36 -0.22 -1.02 -5.25 -0.46 -0.86 121.20 114.52 3kjs s ILE 265 Ca -0.13 -2.26 -0.03 0.00 -0.99 0.00 0.00 60.65 57.24 3kjs s ILE 265 Cb -0.06 -2.21 -0.01 0.00 2.95 0.00 0.00 42.46 43.14 3kjs s ILE 265 CO 0.03 -0.33 -0.05 0.12 -1.79 0.00 0.00 174.94 172.92 3kjs s PHE 266 N -2.27 2.94 0.00 1.37 5.36 -1.26 -1.26 117.98 122.86 3kjs s PHE 266 Ca 0.26 -0.97 0.00 0.00 -0.96 0.00 0.00 56.93 55.26 3kjs s PHE 266 Cb -0.06 -2.09 0.00 0.00 -0.34 0.00 0.00 43.02 40.54 3kjs s PHE 266 CO 0.12 -0.55 0.00 0.41 -1.46 0.00 0.00 175.22 173.74 3kjs n GLY 267 N 4.75 -1.94 3.21 13.12 0.00 0.01 -5.02 105.19 119.32 3kjs n GLY 267 Ca -0.18 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 3kjs n GLY 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kjs s ALA 268 N 0.00 1.24 -0.18 4.61 0.00 -0.71 -5.00 121.76 121.72 3kjs s ALA 268 Ca 0.00 -1.73 -0.12 0.00 0.00 0.00 0.00 51.96 50.10 3kjs s ALA 268 Cb 0.00 1.38 0.05 0.00 0.00 0.00 0.00 23.12 24.56 3kjs s ALA 268 CO 0.00 -0.59 0.45 -1.14 0.00 0.00 0.00 175.76 174.48 3kjs s GLN 269 N -4.11 0.47 0.15 0.00 0.74 -1.26 -1.35 119.66 114.31 3kjs s GLN 269 Ca 0.39 0.76 0.06 0.00 0.05 0.00 0.00 55.36 56.62 3kjs s GLN 269 Cb 0.07 0.10 -0.04 0.00 1.10 0.00 0.00 33.01 34.24 3kjs s GLN 269 CO 0.13 -0.12 -0.13 -1.64 -0.55 0.00 0.00 175.29 172.98 3kjs s MET 270 N 0.94 1.12 -0.01 1.67 -1.94 -0.41 -4.97 119.30 115.71 3kjs s MET 270 Ca -0.06 -1.41 0.04 0.00 -1.71 0.00 0.00 55.69 52.56 3kjs s MET 270 Cb -0.06 -0.87 -0.01 0.00 2.01 0.00 0.00 34.83 35.89 3kjs s MET 270 CO -0.08 0.14 -0.14 1.03 -0.01 0.00 0.00 175.02 175.97 3kjs s ARG 271 N -3.30 1.11 -0.03 2.03 0.52 -1.26 -0.09 118.95 117.92 3kjs s ARG 271 Ca 0.15 -0.52 -0.00 0.00 -0.52 0.00 0.00 55.73 54.84 3kjs s ARG 271 Cb -0.01 -1.08 0.03 0.00 0.52 0.00 0.00 34.95 34.41 3kjs s ARG 271 CO 0.03 0.29 0.02 -0.06 0.02 0.00 0.00 175.30 175.60 3kjs s PHE 272 N -0.38 0.25 0.08 -0.53 0.08 0.11 -4.88 117.98 112.73 3kjs s PHE 272 Ca 0.05 0.05 -0.30 0.00 0.12 0.00 0.00 56.93 56.85 3kjs s PHE 272 Cb -0.06 -0.43 -0.05 0.00 -0.57 0.00 0.00 43.02 41.91 3kjs s PHE 272 CO -0.00 -0.15 1.08 0.45 -0.10 0.00 0.00 175.22 176.49 3kjs s SER 273 N 1.34 7.26 -0.01 1.36 0.15 -1.26 0.35 113.70 122.89 3kjs s SER 273 Ca -0.05 1.91 0.12 0.00 0.70 0.00 0.00 55.95 58.63 3kjs s SER 273 Cb -0.13 -2.58 0.36 0.00 -1.71 0.00 0.00 66.02 61.95 3kjs s SER 273 CO -0.03 -0.29 1.30 0.18 1.20 0.00 0.00 173.24 175.60 3kjs n LEU 274 N 3.34 3.10 -4.77 3.45 4.77 0.22 -4.72 117.00 122.39 3kjs n LEU 274 Ca 0.06 -2.07 -0.40 0.00 -0.03 0.00 0.00 56.01 53.57 3kjs n LEU 274 Cb 0.48 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 3kjs n LEU 274 CO 0.54 0.75 1.01 -0.13 -1.33 0.00 0.00 177.39 178.23 3kjs s ARG 275 N -1.12 4.14 -1.62 3.23 0.52 -1.20 -1.97 118.95 120.93 3kjs s ARG 275 Ca 0.27 2.29 -0.02 0.00 -0.52 0.00 0.00 55.73 57.75 3kjs s ARG 275 Cb 0.15 -2.92 0.01 0.00 0.52 0.00 0.00 34.95 32.70 3kjs s ARG 275 CO 0.17 -0.40 0.23 0.09 0.02 0.00 0.00 175.30 175.41 3kjs n ASN 276 N 0.45 -5.72 -3.03 0.23 3.02 -1.26 -2.05 115.26 106.90 3kjs n ASN 276 Ca 0.02 -0.11 -0.22 0.00 -0.03 0.00 0.00 54.58 54.24 3kjs n ASN 276 Cb 0.42 -4.71 0.03 0.00 -0.61 0.00 0.00 39.78 34.91 3kjs n ASN 276 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3kjs n ASN 277 N -2.19 -5.95 -4.74 6.41 3.02 -0.83 -4.80 115.26 106.19 3kjs n ASN 277 Ca -0.18 -0.29 -0.41 0.00 -0.03 0.00 0.00 54.58 53.67 3kjs n ASN 277 Cb 0.65 -4.82 -0.02 0.00 -0.61 0.00 0.00 39.78 34.98 3kjs n ASN 277 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3kjs s ARG 278 N -5.71 4.29 -0.30 3.52 3.52 -0.87 -0.30 118.95 123.11 3kjs s ARG 278 Ca 0.30 2.26 -0.01 0.00 -0.13 0.00 0.00 55.73 58.15 3kjs s ARG 278 Cb -0.14 -3.13 0.05 0.00 -1.56 0.00 0.00 34.95 30.17 3kjs s ARG 278 CO 0.37 -0.40 -0.01 -1.17 -0.81 0.00 0.00 175.30 173.28 3kjs s LEU 279 N -0.22 3.84 -1.15 -0.88 2.96 -0.25 -4.42 118.68 118.57 3kjs s LEU 279 Ca 0.60 -1.28 -0.12 0.00 -0.22 0.00 0.00 54.13 53.10 3kjs s LEU 279 Cb -0.41 -1.70 -0.07 0.00 0.50 0.00 0.00 46.19 44.52 3kjs s LEU 279 CO 0.41 -0.25 2.28 -0.81 -1.32 0.00 0.00 176.35 176.66 3kjs n PRO 280 N 4.60 2.45 -2.79 0.98 -0.04 -1.26 -3.51 135.00 135.43 3kjs n PRO 280 Ca -0.13 -1.95 -0.42 0.00 -0.04 0.00 0.00 63.50 60.96 3kjs n PRO 280 Cb 0.43 -2.81 -0.03 0.00 -0.04 0.00 0.00 33.50 31.05 3kjs n PRO 280 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kjs s LEU 281 N 0.81 4.08 0.36 1.53 1.43 -1.26 -4.50 118.68 121.12 3kjs s LEU 281 Ca 0.52 1.13 -0.28 0.00 -1.03 0.00 0.00 54.13 54.47 3kjs s LEU 281 Cb 0.14 -3.34 -0.12 0.00 0.03 0.00 0.00 46.19 42.91 3kjs s LEU 281 CO -0.01 -0.61 1.44 0.18 0.23 0.00 0.00 176.35 177.58 3kjs n LEU 282 N 6.21 4.36 -0.06 1.79 4.32 -1.26 -4.68 117.00 127.69 3kjs n LEU 282 Ca 0.08 1.21 -0.01 0.00 -0.02 0.00 0.00 56.01 57.27 3kjs n LEU 282 Cb 0.47 -1.58 -0.16 0.00 -1.62 0.00 0.00 43.42 40.54 3kjs n LEU 282 CO 0.50 -0.03 -0.98 0.35 -1.22 0.00 0.00 177.39 176.01 3kjs n THR 283 N 0.59 0.79 0.41 -5.08 -2.24 -1.26 -4.31 114.28 103.18 3kjs n THR 283 Ca 0.03 -0.69 0.13 0.00 -2.27 0.00 0.00 64.05 61.26 3kjs n THR 283 Cb 0.38 -0.28 0.49 0.00 -2.10 0.00 0.00 70.33 68.82 3kjs n THR 283 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3kjs h THR 284 N 0.00 0.00 -2.68 4.28 1.35 -1.92 0.69 112.91 114.62 3kjs h THR 284 Ca -0.31 -0.40 -0.13 0.00 -0.55 0.00 0.00 66.41 65.02 3kjs h THR 284 Cb 1.70 1.26 -0.27 0.00 -1.73 0.00 0.00 68.15 69.10 3kjs h THR 284 CO 0.02 0.00 -0.35 -0.75 -0.25 0.00 0.00 175.52 174.19 3kjs s LYS 285 N -3.33 0.34 0.21 4.72 2.20 -1.26 -4.66 119.74 117.95 3kjs s LYS 285 Ca 0.05 0.80 -0.32 0.00 -0.36 0.00 0.00 55.97 56.14 3kjs s LYS 285 Cb 0.10 0.02 -0.13 0.00 -1.51 0.00 0.00 37.83 36.31 3kjs s LYS 285 CO 0.49 -0.18 1.52 -2.13 -0.36 0.00 0.00 175.35 174.68 3kjs n ARG 286 N 4.53 2.22 -3.92 4.03 0.63 -1.26 -4.65 116.66 118.24 3kjs n ARG 286 Ca -0.20 0.79 -0.36 0.00 -0.92 0.00 0.00 57.85 57.16 3kjs n ARG 286 Cb 0.54 -2.52 -0.07 0.00 0.45 0.00 0.00 32.46 30.85 3kjs n ARG 286 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3kjs s VAL 287 N 0.40 5.31 -1.12 5.15 1.01 -1.26 -5.02 120.40 124.88 3kjs s VAL 287 Ca 0.72 0.14 -0.21 0.00 0.00 0.00 0.00 61.98 62.63 3kjs s VAL 287 Cb -0.63 -3.33 -0.07 0.00 0.00 0.00 0.00 36.38 32.35 3kjs s VAL 287 CO 0.44 0.58 1.92 0.33 0.00 0.00 0.00 175.10 178.37 3kjs n PHE 288 N 2.38 2.94 -0.09 5.22 7.35 -1.26 -4.80 117.46 129.21 3kjs n PHE 288 Ca -0.19 -1.98 -0.07 0.00 -0.76 0.00 0.00 57.45 54.46 3kjs n PHE 288 Cb 0.54 -2.36 0.00 0.00 0.35 0.00 0.00 39.48 38.01 3kjs n PHE 288 CO 0.00 0.00 0.00 2.35 -0.76 0.00 0.00 176.76 178.35 3kjs h TRP 289 N 8.41 0.13 -0.79 -5.13 2.91 -1.99 -1.50 115.95 117.99 3kjs h TRP 289 Ca 0.36 0.02 0.11 0.00 1.13 0.00 0.00 58.89 60.50 3kjs h TRP 289 Cb 0.82 -0.01 -0.08 0.00 -0.51 0.00 0.00 29.16 29.38 3kjs h TRP 289 CO 1.29 0.04 0.42 -0.09 -1.03 0.00 0.00 178.44 179.06 3kjs h ARG 290 N 0.19 0.66 -0.09 2.65 2.43 -2.00 0.17 114.38 118.40 3kjs h ARG 290 Ca 0.15 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3kjs h ARG 290 Cb 0.15 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3kjs h ARG 290 CO -0.18 0.44 0.06 0.78 -1.51 0.00 0.00 179.97 179.56 3kjs h GLY 291 N 0.68 0.13 0.26 2.80 0.00 -1.86 -1.75 103.07 103.33 3kjs h GLY 291 Ca 0.40 -0.05 0.08 0.00 0.00 0.00 0.00 47.33 47.76 3kjs h GLY 291 CO -0.28 0.05 -0.04 -2.08 0.00 0.00 0.00 176.54 174.18 3kjs h VAL 292 N 0.12 0.64 0.05 4.60 2.07 -0.07 -0.92 116.25 122.74 3kjs h VAL 292 Ca 0.03 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 3kjs h VAL 292 Cb -0.01 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 3kjs h VAL 292 CO -0.01 0.01 -0.03 0.00 0.02 0.00 0.00 177.57 177.57 3kjs h GLU 294 N -0.35 1.19 -0.48 0.00 4.39 -1.20 -2.18 114.58 115.95 3kjs h GLU 294 Ca -0.01 -0.12 -0.07 0.00 0.34 0.00 0.00 59.36 59.50 3kjs h GLU 294 Cb 0.32 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 3kjs h GLU 294 CO 0.01 0.85 0.03 1.49 -1.16 0.00 0.00 179.01 180.24 3kjs h GLU 295 N 1.20 0.82 -0.35 2.33 4.81 -1.10 -2.03 114.58 120.26 3kjs h GLU 295 Ca 0.31 -0.24 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 3kjs h GLU 295 Cb -0.02 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 3kjs h GLU 295 CO -0.05 0.85 0.04 1.25 -0.73 0.00 0.00 179.01 180.36 3kjs h LEU 296 N 0.68 0.57 -0.82 1.64 5.85 -0.96 0.11 115.31 122.38 3kjs h LEU 296 Ca 0.14 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3kjs h LEU 296 Cb 0.46 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 3kjs h LEU 296 CO 0.02 0.70 0.52 -0.07 -0.34 0.00 0.00 178.44 179.27 3kjs h LEU 297 N 0.41 0.96 -0.55 2.25 3.38 -1.41 0.14 115.31 120.48 3kjs h LEU 297 Ca 0.10 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.08 3kjs h LEU 297 Cb 0.39 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 3kjs h LEU 297 CO 0.01 0.71 0.29 -0.25 0.09 0.00 0.00 178.44 179.30 3kjs h TRP 298 N 1.11 0.54 0.18 1.13 7.01 -1.11 -0.47 115.95 124.34 3kjs h TRP 298 Ca 0.30 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.32 3kjs h TRP 298 Cb -0.09 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 26.79 3kjs h TRP 298 CO -0.01 0.27 -0.21 0.74 -2.79 0.00 0.00 178.44 176.44 3kjs h PHE 299 N 0.56 -0.55 -0.65 2.65 0.04 0.16 -2.16 116.94 117.00 3kjs h PHE 299 Ca 0.24 0.01 0.07 0.00 2.80 0.00 0.00 57.97 61.09 3kjs h PHE 299 Cb 0.13 0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.46 3kjs h PHE 299 CO -0.09 -0.31 0.43 -0.07 -0.60 0.00 0.00 178.31 177.67 3kjs h LEU 300 N -0.43 0.55 0.00 1.54 3.38 -0.26 0.16 115.31 120.25 3kjs h LEU 300 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3kjs h LEU 300 Cb 0.42 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3kjs h LEU 300 CO -0.07 0.35 0.00 0.54 0.09 0.00 0.00 178.44 179.35 3kjs n ARG 301 N -4.48 0.08 -2.02 1.13 1.74 -0.23 -4.90 116.66 107.98 3kjs n ARG 301 Ca 0.09 0.11 -0.07 0.00 -0.77 0.00 0.00 57.85 57.22 3kjs n ARG 301 Cb 0.25 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.19 3kjs n ARG 301 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kjs n GLY 302 N 0.72 0.18 3.80 -0.13 0.00 0.56 -5.01 105.19 105.31 3kjs n GLY 302 Ca 0.07 -0.62 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 3kjs n GLY 302 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kjs s GLU 303 N -4.13 2.94 0.00 1.61 0.41 -0.82 -4.10 118.70 114.61 3kjs s GLU 303 Ca 0.00 1.16 0.00 0.00 -0.41 0.00 0.00 54.97 55.72 3kjs s GLU 303 Cb 0.00 -1.98 0.00 0.00 -1.78 0.00 0.00 34.13 30.37 3kjs s GLU 303 CO 0.00 -1.11 0.00 0.25 -0.49 0.00 0.00 175.26 173.91 3kjs n THR 304 N -2.67 0.00 -2.98 3.63 -2.24 -1.26 -4.29 114.28 104.47 3kjs n THR 304 Ca 0.09 -0.08 -0.43 0.00 -2.27 0.00 0.00 64.05 61.36 3kjs n THR 304 Cb 0.53 0.96 -0.05 0.00 -2.10 0.00 0.00 70.33 69.67 3kjs n THR 304 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3kjs s TYR 305 N -0.17 2.86 -0.75 4.78 5.04 -1.26 -2.34 117.35 125.51 3kjs s TYR 305 Ca 0.00 -0.47 0.20 0.00 -2.44 0.00 0.00 57.07 54.36 3kjs s TYR 305 Cb 0.00 -3.98 0.82 0.00 0.35 0.00 0.00 41.96 39.16 3kjs s TYR 305 CO 0.00 -1.34 1.61 0.00 -1.34 0.00 0.00 175.55 174.48 3kjs n ALA 306 N 7.00 1.72 0.28 3.97 0.00 0.30 -2.30 120.51 131.47 3kjs n ALA 306 Ca -0.04 0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.55 3kjs n ALA 306 Cb 0.45 -1.33 0.80 0.00 0.00 0.00 0.00 19.45 19.38 3kjs n ALA 306 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3kjs h LYS 307 N 0.00 0.00 0.00 0.00 3.64 -1.91 -1.03 116.57 117.27 3kjs h LYS 307 Ca 0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 3kjs h LYS 307 Cb 0.34 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 3kjs h LYS 307 CO 0.00 0.08 -0.23 0.87 -2.27 0.00 0.00 179.45 177.90 3kjs h LYS 308 N 0.00 0.00 0.10 1.90 1.57 -1.85 -0.49 116.57 117.80 3kjs h LYS 308 Ca -0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 3kjs h LYS 308 Cb 0.25 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.57 3kjs h LYS 308 CO 0.01 0.23 -0.85 -0.07 -0.57 0.00 0.00 179.45 178.20 3kjs h LEU 309 N 0.00 0.33 -0.64 2.94 3.38 -1.42 -3.33 115.31 116.57 3kjs h LEU 309 Ca -0.00 -0.91 0.14 0.00 0.09 0.00 0.00 57.88 57.20 3kjs h LEU 309 Cb 0.45 -0.11 -0.11 0.00 0.09 0.00 0.00 40.66 40.99 3kjs h LEU 309 CO 0.03 1.39 0.04 0.28 0.09 0.00 0.00 178.44 180.27 3kjs h SER 310 N -0.51 -0.20 0.10 -0.43 0.02 -1.13 -0.82 113.55 110.58 3kjs h SER 310 Ca -0.17 0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3kjs h SER 310 Cb 1.54 0.25 -0.00 0.00 0.14 0.00 0.00 62.40 64.33 3kjs h SER 310 CO 0.08 -0.09 -0.05 0.44 -1.14 0.00 0.00 176.83 176.06 3kjs h ASP 311 N 0.15 0.00 -0.53 3.07 3.32 -1.24 -0.18 116.42 121.01 3kjs h ASP 311 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 3kjs h ASP 311 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3kjs h ASP 311 CO -0.52 0.05 0.00 0.29 -1.72 0.00 0.00 179.24 177.34 3kjs n LYS 312 N -4.01 3.27 -1.40 3.56 5.02 -0.44 -4.92 118.16 119.24 3kjs n LYS 312 Ca -0.03 -2.33 -0.08 0.00 -2.02 0.00 0.00 58.31 53.85 3kjs n LYS 312 Cb 0.14 -1.80 -0.03 0.00 -0.02 0.00 0.00 35.03 33.32 3kjs n LYS 312 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kjs n GLY 313 N 0.96 0.83 3.26 0.72 0.00 -0.08 -5.00 105.19 105.89 3kjs n GLY 313 Ca 0.21 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 45.19 3kjs n GLY 313 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kjs s VAL 314 N -2.32 4.01 -0.98 1.61 1.01 -0.44 -4.97 120.40 118.31 3kjs s VAL 314 Ca 0.00 -1.33 0.16 0.00 0.00 0.00 0.00 61.98 60.81 3kjs s VAL 314 Cb 0.00 -3.40 0.57 0.00 0.00 0.00 0.00 36.38 33.55 3kjs s VAL 314 CO 0.00 -0.39 1.49 1.41 0.00 0.00 0.00 175.10 177.60 3kjs n HIS 315 N 4.86 1.07 0.25 5.22 8.25 -1.26 -2.77 115.22 130.83 3kjs n HIS 315 Ca -0.10 -0.62 0.16 0.00 -0.26 0.00 0.00 57.72 56.89 3kjs n HIS 315 Cb 0.44 -0.18 0.85 0.00 1.12 0.00 0.00 29.99 32.22 3kjs n HIS 315 CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 3kjs h ILE 316 N 3.15 0.54 -0.11 1.59 3.07 -1.96 -2.39 117.51 121.41 3kjs h ILE 316 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3kjs h ILE 316 Cb 1.22 0.92 0.00 0.00 -0.27 0.00 0.00 36.82 38.69 3kjs h ILE 316 CO 0.15 0.00 0.00 0.79 -1.05 0.00 0.00 178.15 178.04 3kjs n TRP 317 N -3.90 0.11 -0.19 0.16 7.02 -1.26 -4.63 117.44 114.75 3kjs n TRP 317 Ca -0.01 -0.06 -0.06 0.00 -1.02 0.00 0.00 57.50 56.35 3kjs n TRP 317 Cb 0.20 -0.00 0.03 0.00 -2.42 0.00 0.00 31.31 29.12 3kjs n TRP 317 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3kjs h ASP 318 N 4.57 0.64 -0.30 -0.99 5.19 -1.77 -1.33 116.42 122.44 3kjs h ASP 318 Ca 0.00 -0.02 -0.08 0.00 -0.62 0.00 0.00 57.03 56.31 3kjs h ASP 318 Cb 0.98 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.31 3kjs h ASP 318 CO 0.00 0.47 -0.09 0.44 -3.12 0.00 0.00 179.24 176.94 3kjs h ASP 319 N 0.76 0.69 0.20 6.45 3.32 -1.82 -2.65 116.42 123.36 3kjs h ASP 319 Ca 0.20 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3kjs h ASP 319 Cb -0.08 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.28 3kjs h ASP 319 CO -0.04 0.81 -0.16 0.59 -1.72 0.00 0.00 179.24 178.72 3kjs n ASN 320 N -4.18 0.99 -0.33 6.45 3.02 -1.04 -3.75 115.26 116.41 3kjs n ASN 320 Ca 0.01 -0.96 0.05 0.00 -0.03 0.00 0.00 54.58 53.65 3kjs n ASN 320 Cb 0.34 0.06 0.02 0.00 -0.61 0.00 0.00 39.78 39.59 3kjs n ASN 320 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kjs n GLY 321 N 1.28 -0.29 3.75 7.41 0.00 -0.53 -4.56 105.19 112.25 3kjs n GLY 321 Ca 0.14 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 3kjs n GLY 321 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kjs s SER 322 N -1.09 4.85 0.22 1.61 1.04 -1.01 -0.86 113.70 118.46 3kjs s SER 322 Ca 0.10 2.25 -0.15 0.00 0.48 0.00 0.00 55.95 58.63 3kjs s SER 322 Cb 0.08 -2.58 0.24 0.00 0.10 0.00 0.00 66.02 63.86 3kjs s SER 322 CO 0.18 -1.81 1.60 -0.09 0.98 0.00 0.00 173.24 174.10 3kjs h ARG 323 N 0.25 -0.05 -0.40 4.02 9.65 -1.94 -0.71 114.38 125.20 3kjs h ARG 323 Ca -0.48 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 58.41 3kjs h ARG 323 Cb 1.28 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.85 3kjs h ARG 323 CO 0.53 -0.04 0.24 0.00 2.80 0.00 0.00 179.97 183.50 3kjs h ALA 324 N 1.47 0.50 -0.32 2.80 0.00 -1.95 -1.66 119.26 120.10 3kjs h ALA 324 Ca 0.31 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.08 3kjs h ALA 324 Cb 0.55 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3kjs h ALA 324 CO -0.75 -0.09 -0.32 0.35 0.00 0.00 0.00 179.25 178.44 3kjs h PHE 325 N 0.49 0.94 -0.84 0.00 3.57 -1.69 -1.81 116.94 117.60 3kjs h PHE 325 Ca 0.16 -0.28 0.01 0.00 3.53 0.00 0.00 57.97 61.38 3kjs h PHE 325 Cb -0.00 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.49 3kjs h PHE 325 CO -0.07 1.06 0.55 -0.07 -2.23 0.00 0.00 178.31 177.55 3kjs h LEU 326 N 0.55 0.96 -0.91 0.59 3.38 -1.05 -2.25 115.31 116.57 3kjs h LEU 326 Ca 0.05 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3kjs h LEU 326 Cb 0.90 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 3kjs h LEU 326 CO 0.08 0.69 0.24 0.44 0.09 0.00 0.00 178.44 179.98 3kjs h ASP 327 N 1.13 0.96 0.24 -0.43 3.32 -1.23 0.14 116.42 120.55 3kjs h ASP 327 Ca 0.31 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3kjs h ASP 327 Cb -0.12 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.18 3kjs h ASP 327 CO -0.07 0.88 0.00 -1.54 -1.72 0.00 0.00 179.24 176.79 3kjs n SER 328 N -4.28 0.00 -0.28 6.45 3.41 -0.69 -1.01 113.62 117.23 3kjs n SER 328 Ca 0.06 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.72 3kjs n SER 328 Cb 0.20 -0.25 0.01 0.00 -0.26 0.00 0.00 64.21 63.91 3kjs n SER 328 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3kjs n ARG 329 N -1.25 1.60 -0.66 4.33 3.00 -0.73 -4.98 116.66 117.97 3kjs n ARG 329 Ca 0.08 -0.75 0.00 0.00 -0.00 0.00 0.00 57.85 57.17 3kjs n ARG 329 Cb 0.11 -1.11 0.00 0.00 0.00 0.00 0.00 32.46 31.46 3kjs n ARG 329 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3kjs n GLY 330 N 0.79 0.71 2.66 5.14 0.00 -0.18 -4.98 105.19 109.33 3kjs n GLY 330 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3kjs n GLY 330 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kjs n LEU 331 N 0.00 7.38 0.18 0.99 4.77 0.42 -4.75 117.00 125.98 3kjs n LEU 331 Ca 0.00 -5.23 0.13 0.00 -0.03 0.00 0.00 56.01 50.88 3kjs n LEU 331 Cb 0.00 -1.24 0.29 0.00 -2.33 0.00 0.00 43.42 40.14 3kjs n LEU 331 CO 0.00 1.98 0.85 0.71 -1.33 0.00 0.00 177.39 179.60 3kjs h THR 332 N 2.51 0.00 0.00 -5.08 1.35 -1.89 -3.12 112.91 106.67 3kjs h THR 332 Ca 0.53 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 3kjs h THR 332 Cb 0.36 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 3kjs h THR 332 CO 1.28 0.00 -0.88 -1.84 -0.25 0.00 0.00 175.52 173.83 3kjs n GLU 333 N -2.77 0.42 -2.13 4.72 0.00 -1.26 -4.84 120.64 114.78 3kjs n GLU 333 Ca 0.04 0.07 -0.42 0.00 0.00 0.00 0.00 57.16 56.86 3kjs n GLU 333 Cb 0.48 -1.72 -0.03 0.00 0.00 0.00 0.00 31.44 30.17 3kjs n GLU 333 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 3kjs s TYR 334 N -3.26 2.65 0.76 -1.84 2.02 -1.18 -5.01 117.35 111.50 3kjs s TYR 334 Ca 0.03 0.63 -0.12 0.00 -0.37 0.00 0.00 57.07 57.24 3kjs s TYR 334 Cb 0.12 -3.76 0.06 0.00 -0.40 0.00 0.00 41.96 37.98 3kjs s TYR 334 CO 0.77 -2.93 1.13 -1.83 -1.57 0.00 0.00 175.55 171.12 3kjs s GLU 335 N 2.68 2.11 0.23 -0.62 -1.05 -1.26 -4.88 118.70 115.91 3kjs s GLU 335 Ca 0.67 1.42 -0.31 0.00 -0.15 0.00 0.00 54.97 56.60 3kjs s GLU 335 Cb -0.33 -1.86 -0.14 0.00 -0.44 0.00 0.00 34.13 31.35 3kjs s GLU 335 CO 0.28 -1.79 1.29 -1.91 0.95 0.00 0.00 175.26 174.08 3kjs n GLU 336 N -3.23 1.72 -0.78 -4.83 2.13 -1.26 -1.70 120.64 112.69 3kjs n GLU 336 Ca 0.11 0.61 0.00 0.00 0.66 0.00 0.00 57.16 58.54 3kjs n GLU 336 Cb 0.52 -2.19 0.00 0.00 0.27 0.00 0.00 31.44 30.04 3kjs n GLU 336 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 3kjs n MET 337 N 1.73 0.00 -2.78 5.31 2.81 -0.04 -4.90 117.12 119.25 3kjs n MET 337 Ca 0.12 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.58 3kjs n MET 337 Cb 0.30 -2.23 -0.04 0.00 -0.71 0.00 0.00 33.22 30.54 3kjs n MET 337 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3kjs s ASP 338 N -3.18 6.57 0.00 7.83 -1.08 -0.69 -0.54 116.67 125.58 3kjs s ASP 338 Ca 0.00 0.30 0.26 0.00 -0.52 0.00 0.00 52.55 52.59 3kjs s ASP 338 Cb 0.00 -2.47 0.66 0.00 -1.46 0.00 0.00 42.92 39.65 3kjs s ASP 338 CO 0.00 -1.03 1.51 0.18 0.52 0.00 0.00 175.17 176.36 3kjs n LEU 339 N 7.16 1.58 0.00 -1.34 4.77 -0.99 -4.81 117.00 123.37 3kjs n LEU 339 Ca 0.07 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 3kjs n LEU 339 Cb 0.48 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3kjs n LEU 339 CO 0.64 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 3kjs n GLY 340 N 1.30 -2.09 2.40 -0.72 0.00 -1.26 -0.32 105.19 104.50 3kjs n GLY 340 Ca 0.14 -1.49 -0.31 0.00 0.00 0.00 0.00 46.02 44.37 3kjs n GLY 340 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kjs n PRO 341 N -0.04 2.97 -2.00 1.61 -0.04 -1.26 -4.81 135.00 131.43 3kjs n PRO 341 Ca 0.00 -1.83 -0.31 0.00 -0.04 0.00 0.00 63.50 61.32 3kjs n PRO 341 Cb 0.00 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 30.86 3kjs n PRO 341 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3kjs s VAL 342 N 2.56 4.72 0.00 0.52 -7.23 -1.26 -4.37 120.40 115.34 3kjs s VAL 342 Ca 0.58 0.83 0.00 0.00 -1.81 0.00 0.00 61.98 61.58 3kjs s VAL 342 Cb 0.16 -3.86 0.00 0.00 0.56 0.00 0.00 36.38 33.24 3kjs s VAL 342 CO -0.05 -1.07 0.00 -1.22 -0.31 0.00 0.00 175.10 172.45 3kjs n TYR 343 N -2.59 0.00 0.25 2.82 4.01 -1.26 -0.78 117.16 119.61 3kjs n TYR 343 Ca 0.05 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.88 3kjs n TYR 343 Cb 0.54 0.00 0.64 0.00 -0.31 0.00 0.00 39.34 40.21 3kjs n TYR 343 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3kjs h GLY 344 N 0.00 0.02 0.97 2.72 0.00 -1.81 -1.03 103.07 103.94 3kjs h GLY 344 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3kjs h GLY 344 CO 0.00 0.01 0.24 -2.75 0.00 0.00 0.00 176.54 174.03 3kjs h PHE 345 N 0.02 0.59 -0.18 5.60 3.04 -1.10 -0.70 116.94 124.20 3kjs h PHE 345 Ca 0.01 -0.01 -0.10 0.00 3.98 0.00 0.00 57.97 61.85 3kjs h PHE 345 Cb 0.03 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.34 3kjs h PHE 345 CO -0.00 0.44 -0.32 1.96 -2.02 0.00 0.00 178.31 178.37 3kjs h GLN 346 N 0.56 0.35 -0.81 1.11 1.08 -1.34 0.71 115.11 116.77 3kjs h GLN 346 Ca 0.15 -0.14 -0.04 0.00 -1.45 0.00 0.00 58.65 57.17 3kjs h GLN 346 Cb 0.05 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.42 3kjs h GLN 346 CO -0.02 0.64 0.35 -1.49 -0.95 0.00 0.00 178.83 177.35 3kjs h TRP 347 N 0.31 1.21 0.00 2.96 4.06 -0.75 -2.49 115.95 121.24 3kjs h TRP 347 Ca 0.04 -0.08 -0.08 0.00 2.06 0.00 0.00 58.89 60.84 3kjs h TRP 347 Cb 0.71 -0.37 -0.01 0.00 -1.00 0.00 0.00 29.16 28.49 3kjs h TRP 347 CO 0.02 0.89 -1.94 0.54 -3.56 0.00 0.00 178.44 174.39 3kjs n ARG 348 N -4.29 0.71 -2.71 0.49 5.12 -0.31 -1.31 116.66 114.35 3kjs n ARG 348 Ca 0.08 -0.13 -0.06 0.00 -1.93 0.00 0.00 57.85 55.80 3kjs n ARG 348 Cb 0.17 -1.45 0.04 0.00 -1.16 0.00 0.00 32.46 30.06 3kjs n ARG 348 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3kjs n HIS 349 N -2.27 1.10 -1.65 -1.55 8.25 0.24 -3.23 115.22 116.11 3kjs n HIS 349 Ca -0.09 -2.58 -0.47 0.00 -0.26 0.00 0.00 57.72 54.32 3kjs n HIS 349 Cb 0.63 -0.29 -0.04 0.00 1.12 0.00 0.00 29.99 31.41 3kjs n HIS 349 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3kjs n PHE 350 N -0.24 2.08 -0.22 4.41 -0.00 -0.56 -1.75 117.46 121.19 3kjs n PHE 350 Ca 0.08 0.39 0.00 0.00 -0.00 0.00 0.00 57.45 57.92 3kjs n PHE 350 Cb 0.82 -2.47 0.00 0.00 -0.00 0.00 0.00 39.48 37.82 3kjs n PHE 350 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3kjs n GLY 351 N 2.82 2.46 3.77 7.13 0.00 -1.26 -1.20 105.19 118.90 3kjs n GLY 351 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 3kjs n GLY 351 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kjs s ALA 352 N -3.18 2.98 0.14 4.61 0.00 -0.72 -4.90 121.76 120.70 3kjs s ALA 352 Ca 0.00 0.99 -0.30 0.00 0.00 0.00 0.00 51.96 52.65 3kjs s ALA 352 Cb 0.00 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.64 3kjs s ALA 352 CO 0.00 -0.73 1.16 0.00 0.00 0.00 0.00 175.76 176.19 3kjs s ALA 353 N -1.50 3.39 -0.11 0.00 0.00 -1.26 -5.01 121.76 117.28 3kjs s ALA 353 Ca 0.64 0.86 -0.05 0.00 0.00 0.00 0.00 51.96 53.41 3kjs s ALA 353 Cb -0.30 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 3kjs s ALA 353 CO 0.37 -0.33 0.09 -0.47 0.00 0.00 0.00 175.76 175.41 3kjs s TYR 354 N 0.25 3.43 0.00 0.00 5.04 -1.26 -5.01 117.35 119.81 3kjs s TYR 354 Ca 0.53 0.40 0.00 0.00 -2.44 0.00 0.00 57.07 55.56 3kjs s TYR 354 Cb -0.30 -1.88 0.00 0.00 0.35 0.00 0.00 41.96 40.13 3kjs s TYR 354 CO 0.33 0.63 0.00 0.25 -1.34 0.00 0.00 175.55 175.43 3kjs n THR 355 N 2.04 0.00 -4.06 4.34 -2.24 -1.26 -5.08 114.28 108.02 3kjs n THR 355 Ca -0.19 0.01 -0.08 0.00 -2.27 0.00 0.00 64.05 61.52 3kjs n THR 355 Cb 0.54 -0.86 -0.10 0.00 -2.10 0.00 0.00 70.33 67.81 3kjs n THR 355 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3kjs s HIS 356 N -0.69 0.51 0.43 4.78 3.76 -1.26 -4.93 115.29 117.89 3kjs s HIS 356 Ca 0.00 -1.02 0.10 0.00 -0.15 0.00 0.00 55.06 53.99 3kjs s HIS 356 Cb 0.00 -0.35 0.95 0.00 1.11 0.00 0.00 32.58 34.29 3kjs s HIS 356 CO 0.00 -0.42 2.04 1.12 -0.85 0.00 0.00 174.74 176.63 3kjs h HIS 357 N 3.06 0.44 -0.09 1.40 2.07 -1.97 -2.79 115.15 117.27 3kjs h HIS 357 Ca -0.34 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.19 3kjs h HIS 357 Cb 1.16 -0.15 0.00 0.00 2.57 0.00 0.00 27.41 30.99 3kjs h HIS 357 CO 0.50 0.26 0.00 -0.40 -3.07 0.00 0.00 177.93 175.22 3kjs n ASP 358 N -4.48 0.91 -4.90 3.10 5.68 -1.26 -4.89 116.55 110.71 3kjs n ASP 358 Ca 0.05 -1.58 -0.28 0.00 -0.50 0.00 0.00 54.79 52.48 3kjs n ASP 358 Cb 0.17 -0.06 0.04 0.00 -1.14 0.00 0.00 41.12 40.13 3kjs n ASP 358 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kjs s ALA 359 N -1.89 3.08 -0.14 2.12 0.00 -1.06 -5.05 121.76 118.83 3kjs s ALA 359 Ca 0.30 -0.57 -0.22 0.00 0.00 0.00 0.00 51.96 51.48 3kjs s ALA 359 Cb 0.15 -2.80 -0.03 0.00 0.00 0.00 0.00 23.12 20.44 3kjs s ALA 359 CO 0.24 -1.04 0.64 1.21 0.00 0.00 0.00 175.76 176.81 3kjs s ASN 360 N -4.36 6.80 0.00 0.00 3.84 -1.26 -4.94 114.94 115.01 3kjs s ASN 360 Ca 0.57 0.96 0.00 0.00 0.21 0.00 0.00 52.86 54.60 3kjs s ASN 360 Cb -0.11 -2.37 0.00 0.00 -0.55 0.00 0.00 41.25 38.23 3kjs s ASN 360 CO 0.48 -0.19 0.63 -1.22 -2.79 0.00 0.00 177.10 174.01 3kjs n TYR 361 N 4.46 0.00 -1.69 0.43 4.01 -1.26 -5.01 117.16 118.10 3kjs n TYR 361 Ca -0.02 -0.14 -0.57 0.00 -0.16 0.00 0.00 57.90 57.01 3kjs n TYR 361 Cb 0.50 -0.01 -0.07 0.00 -0.31 0.00 0.00 39.34 39.45 3kjs n TYR 361 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3kjs n ASP 362 N -0.14 2.10 -0.09 7.72 8.00 -1.26 -1.38 116.55 131.50 3kjs n ASP 362 Ca 0.00 1.09 -0.01 0.00 0.71 0.00 0.00 54.79 56.58 3kjs n ASP 362 Cb 0.07 -1.12 -0.01 0.00 -0.02 0.00 0.00 41.12 40.04 3kjs n ASP 362 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kjs n GLY 363 N 3.81 0.48 3.84 0.44 0.00 -1.26 -5.02 105.19 107.48 3kjs n GLY 363 Ca 0.25 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 3kjs n GLY 363 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kjs s GLN 364 N -0.96 3.32 1.20 1.61 -0.21 -0.48 -5.00 119.66 119.14 3kjs s GLN 364 Ca 0.00 -0.23 0.00 0.00 0.02 0.00 0.00 55.36 55.15 3kjs s GLN 364 Cb 0.00 -3.08 0.00 0.00 1.00 0.00 0.00 33.01 30.93 3kjs s GLN 364 CO 0.00 0.75 0.00 0.41 -2.12 0.00 0.00 175.29 174.33 3kjs n GLY 365 N 1.86 -1.54 3.62 3.09 0.00 -1.26 -4.41 105.19 106.55 3kjs n GLY 365 Ca -0.18 -1.18 -0.40 0.00 0.00 0.00 0.00 46.02 44.26 3kjs n GLY 365 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kjs s VAL 366 N -0.60 5.08 -0.91 1.61 1.01 -0.34 -4.70 120.40 121.56 3kjs s VAL 366 Ca 0.00 0.87 -0.23 0.00 0.00 0.00 0.00 61.98 62.62 3kjs s VAL 366 Cb 0.00 -3.82 0.07 0.00 0.00 0.00 0.00 36.38 32.63 3kjs s VAL 366 CO 0.00 0.11 1.28 -0.62 0.00 0.00 0.00 175.10 175.86 3kjs s ASP 367 N 1.49 6.44 0.21 3.32 -1.08 -1.20 -1.50 116.67 124.34 3kjs s ASP 367 Ca 0.21 -1.38 -0.00 0.00 -0.52 0.00 0.00 52.55 50.86 3kjs s ASP 367 Cb -0.16 -2.51 0.16 0.00 -1.46 0.00 0.00 42.92 38.96 3kjs s ASP 367 CO 0.09 -1.44 1.52 1.56 0.52 0.00 0.00 175.17 177.42 3kjs h GLN 368 N 9.56 0.43 -0.19 4.34 4.20 -1.43 -2.73 115.11 129.29 3kjs h GLN 368 Ca 0.05 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.45 3kjs h GLN 368 Cb 1.03 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.84 3kjs h GLN 368 CO 1.29 0.89 0.03 0.82 -0.67 0.00 0.00 178.83 181.19 3kjs h ILE 369 N 0.32 1.22 -0.21 2.54 1.08 -1.86 -1.86 117.51 118.75 3kjs h ILE 369 Ca -0.00 -0.72 0.05 0.00 -0.39 0.00 0.00 64.86 63.80 3kjs h ILE 369 Cb 1.11 1.33 -0.06 0.00 -3.07 0.00 0.00 36.82 36.13 3kjs h ILE 369 CO 0.10 0.22 -0.19 0.50 -0.69 0.00 0.00 178.15 178.10 3kjs h LYS 370 N 0.11 -0.19 -0.75 2.37 3.64 -1.87 -0.18 116.57 119.71 3kjs h LYS 370 Ca 0.06 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 3kjs h LYS 370 Cb 0.31 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 3kjs h LYS 370 CO 0.00 -0.13 0.36 0.00 -2.27 0.00 0.00 179.45 177.42 3kjs h ALA 371 N 0.89 0.96 -0.27 5.00 0.00 -1.43 -0.85 119.26 123.55 3kjs h ALA 371 Ca 0.12 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3kjs h ALA 371 Cb 0.39 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3kjs h ALA 371 CO -0.33 0.52 0.11 0.82 0.00 0.00 0.00 179.25 180.37 3kjs h ILE 372 N 1.04 0.95 -0.94 0.00 2.04 -1.05 0.72 117.51 120.28 3kjs h ILE 372 Ca 0.26 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 66.06 3kjs h ILE 372 Cb 0.11 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 3kjs h ILE 372 CO -0.03 0.04 0.62 0.58 0.00 0.00 0.00 178.15 179.36 3kjs h VAL 373 N 0.24 1.21 -0.10 1.67 2.07 -0.30 -0.12 116.25 120.92 3kjs h VAL 373 Ca 0.12 -0.42 -0.21 0.00 0.82 0.00 0.00 66.70 67.00 3kjs h VAL 373 Cb 0.07 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 29.70 3kjs h VAL 373 CO -0.11 0.23 -0.80 -0.33 0.02 0.00 0.00 177.57 176.58 3kjs h GLU 374 N 1.24 0.59 -0.55 1.57 4.39 -0.94 -3.13 114.58 117.75 3kjs h GLU 374 Ca 0.36 -0.51 -0.10 0.00 0.34 0.00 0.00 59.36 59.45 3kjs h GLU 374 Cb -0.08 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 3kjs h GLU 374 CO -0.10 1.13 -0.05 1.15 -1.16 0.00 0.00 179.01 179.98 3kjs h THR 375 N 0.39 1.27 -0.23 1.13 2.02 -0.48 -2.98 112.91 114.03 3kjs h THR 375 Ca -0.05 -1.20 0.02 0.00 0.77 0.00 0.00 66.41 65.94 3kjs h THR 375 Cb 1.41 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 3kjs h THR 375 CO 0.15 0.43 0.16 -0.07 0.37 0.00 0.00 175.52 176.55 3kjs h LEU 376 N 0.89 0.22 0.00 2.58 3.38 -1.03 0.19 115.31 121.54 3kjs h LEU 376 Ca 0.15 -0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.91 3kjs h LEU 376 Cb 0.61 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3kjs h LEU 376 CO 0.04 0.15 -0.98 0.11 0.09 0.00 0.00 178.44 177.85 3kjs h LYS 377 N 0.25 0.00 0.00 1.13 1.57 -1.47 -3.37 116.57 114.68 3kjs h LYS 377 Ca 0.09 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.59 3kjs h LYS 377 Cb 0.06 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.32 3kjs h LYS 377 CO -0.02 0.90 -2.01 0.25 -0.57 0.00 0.00 179.45 178.00 3kjs n THR 378 N -3.31 1.00 -3.73 -0.16 -2.24 -0.98 -4.87 114.28 99.99 3kjs n THR 378 Ca -0.01 -0.32 -0.28 0.00 -2.27 0.00 0.00 64.05 61.17 3kjs n THR 378 Cb 0.92 -1.44 -0.12 0.00 -2.10 0.00 0.00 70.33 67.58 3kjs n THR 378 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3kjs s ASN 379 N -6.19 3.67 0.53 3.42 2.47 0.64 -4.98 114.94 114.50 3kjs s ASN 379 Ca -0.25 -3.22 0.23 0.00 0.42 0.00 0.00 52.86 50.05 3kjs s ASN 379 Cb 0.08 -1.19 1.44 0.00 -1.45 0.00 0.00 41.25 40.13 3kjs s ASN 379 CO 0.36 -0.17 2.12 -0.65 -3.72 0.00 0.00 177.10 175.04 3kjs h PRO 380 N 5.97 0.00 0.00 0.43 0.11 -1.73 -2.57 132.00 134.21 3kjs h PRO 380 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 3kjs h PRO 380 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3kjs h PRO 380 CO 0.57 0.08 0.00 -0.25 -0.21 0.00 0.00 178.00 178.19 3kjs n ASP 381 N -3.99 0.00 -4.56 -2.05 8.00 -1.26 -4.11 116.55 108.58 3kjs n ASP 381 Ca -0.03 0.25 -0.42 0.00 0.71 0.00 0.00 54.79 55.30 3kjs n ASP 381 Cb 0.17 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 3kjs n ASP 381 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3kjs n ASP 382 N -1.41 0.70 -0.73 -2.24 2.03 -0.97 -4.93 116.55 109.00 3kjs n ASP 382 Ca 0.10 1.03 0.08 0.00 0.52 0.00 0.00 54.79 56.52 3kjs n ASP 382 Cb 0.29 -1.27 0.22 0.00 -0.72 0.00 0.00 41.12 39.63 3kjs n ASP 382 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3kjs n ARG 383 N 0.37 2.77 -0.03 -0.67 1.74 -1.26 -4.52 116.66 115.06 3kjs n ARG 383 Ca 0.10 -2.60 0.02 0.00 -0.77 0.00 0.00 57.85 54.60 3kjs n ARG 383 Cb 0.37 -1.66 0.03 0.00 -1.02 0.00 0.00 32.46 30.18 3kjs n ARG 383 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kjs n ARG 384 N -0.37 2.14 -1.93 5.56 1.74 -1.26 -4.92 116.66 117.62 3kjs n ARG 384 Ca 0.18 -1.53 -0.42 0.00 -0.77 0.00 0.00 57.85 55.30 3kjs n ARG 384 Cb 0.75 -1.00 -0.00 0.00 -1.02 0.00 0.00 32.46 31.19 3kjs n ARG 384 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3kjs n MET 385 N -0.58 2.92 -4.49 5.56 2.81 -1.26 -4.89 117.12 117.19 3kjs n MET 385 Ca 0.03 -2.76 -0.24 0.00 -1.81 0.00 0.00 57.70 52.92 3kjs n MET 385 Cb 0.38 -3.34 -0.13 0.00 -0.71 0.00 0.00 33.22 29.41 3kjs n MET 385 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3kjs s LEU 386 N 2.69 2.21 0.15 4.03 1.02 -1.26 -0.90 118.68 126.62 3kjs s LEU 386 Ca 0.49 -0.57 0.09 0.00 0.02 0.00 0.00 54.13 54.15 3kjs s LEU 386 Cb 0.12 -0.90 -0.04 0.00 0.02 0.00 0.00 46.19 45.38 3kjs s LEU 386 CO -0.05 0.11 -0.20 0.72 0.02 0.00 0.00 176.35 176.95 3kjs s PHE 387 N -0.93 1.90 0.03 0.29 -0.12 -0.33 -4.99 117.98 113.82 3kjs s PHE 387 Ca 0.06 -0.44 0.01 0.00 -0.05 0.00 0.00 56.93 56.52 3kjs s PHE 387 Cb -0.09 -0.97 -0.02 0.00 -0.63 0.00 0.00 43.02 41.30 3kjs s PHE 387 CO 0.03 0.32 -0.06 -0.08 -0.05 0.00 0.00 175.22 175.37 3kjs s THR 388 N -1.71 0.39 -0.95 -4.49 -1.32 -1.26 -1.50 115.64 104.80 3kjs s THR 388 Ca 0.14 -0.95 0.12 0.00 -1.21 0.00 0.00 61.69 59.79 3kjs s THR 388 Cb -0.07 -0.47 -0.04 0.00 -1.51 0.00 0.00 72.50 70.41 3kjs s THR 388 CO 0.06 -0.38 0.65 0.00 -2.21 0.00 0.00 174.62 172.74 3kjs n ALA 389 N 1.64 3.11 -2.58 11.08 0.00 0.43 -4.41 120.51 129.78 3kjs n ALA 389 Ca -0.22 -0.43 -0.41 0.00 0.00 0.00 0.00 53.44 52.38 3kjs n ALA 389 Cb 0.55 -0.43 -0.03 0.00 0.00 0.00 0.00 19.45 19.55 3kjs n ALA 389 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3kjs s TRP 390 N -1.70 2.52 -0.43 0.00 -0.11 -1.23 -4.76 118.94 113.23 3kjs s TRP 390 Ca 0.08 -0.75 0.02 0.00 1.22 0.00 0.00 56.10 56.68 3kjs s TRP 390 Cb 0.09 -4.67 0.12 0.00 -1.50 0.00 0.00 33.47 27.51 3kjs s TRP 390 CO 0.35 -1.94 0.17 1.21 -4.62 0.00 0.00 176.95 172.13 3kjs s ASN 391 N 4.72 4.77 0.36 5.86 3.84 -1.26 -5.00 114.94 128.24 3kjs s ASN 391 Ca 0.44 -2.44 0.14 0.00 0.21 0.00 0.00 52.86 51.21 3kjs s ASN 391 Cb -0.02 -1.69 0.98 0.00 -0.55 0.00 0.00 41.25 39.98 3kjs s ASN 391 CO -0.06 -0.37 1.76 -0.65 -2.79 0.00 0.00 177.10 174.99 3kjs h PRO 392 N 7.32 0.49 -0.28 0.43 0.11 -2.01 0.25 132.00 138.32 3kjs h PRO 392 Ca -0.06 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.97 3kjs h PRO 392 Cb 0.98 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.97 3kjs h PRO 392 CO 0.61 0.32 -0.03 0.77 -0.21 0.00 0.00 178.00 179.47 3kjs h SER 393 N 0.51 0.40 0.25 -2.05 0.02 -2.01 -3.24 113.55 107.43 3kjs h SER 393 Ca 0.61 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.48 3kjs h SER 393 Cb 1.32 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.76 3kjs h SER 393 CO -0.36 0.50 -1.64 0.00 -1.14 0.00 0.00 176.83 174.18 3kjs n ALA 394 N -2.48 2.93 -0.24 3.77 0.00 0.69 -4.48 120.51 120.69 3kjs n ALA 394 Ca 0.01 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.00 3kjs n ALA 394 Cb 0.25 -0.85 0.08 0.00 0.00 0.00 0.00 19.45 18.93 3kjs n ALA 394 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3kjs h LEU 395 N 0.00 -0.66 -2.85 0.00 3.38 -1.02 0.92 115.31 115.08 3kjs h LEU 395 Ca 0.00 0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3kjs h LEU 395 Cb 0.94 0.44 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 3kjs h LEU 395 CO 0.00 -0.23 0.02 -0.65 0.09 0.00 0.00 178.44 177.67 3kjs h PRO 396 N -0.00 0.00 -0.00 1.13 0.11 -1.78 -0.80 132.00 130.65 3kjs h PRO 396 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 3kjs h PRO 396 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.62 3kjs h PRO 396 CO -0.72 0.00 -0.23 0.54 -0.21 0.00 0.00 178.00 177.38 3kjs n ARG 397 N -3.21 0.46 -3.55 1.05 5.12 0.31 -4.91 116.66 111.94 3kjs n ARG 397 Ca -0.03 -0.21 -0.33 0.00 -1.93 0.00 0.00 57.85 55.36 3kjs n ARG 397 Cb 0.09 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 29.85 3kjs n ARG 397 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 3kjs s MET 398 N -2.68 3.73 0.33 5.56 -1.94 -0.31 -4.22 119.30 119.78 3kjs s MET 398 Ca 0.21 0.13 0.00 0.00 -1.71 0.00 0.00 55.69 54.32 3kjs s MET 398 Cb 0.19 -2.82 0.55 0.00 2.01 0.00 0.00 34.83 34.77 3kjs s MET 398 CO 0.55 0.44 1.99 0.00 -0.01 0.00 0.00 175.02 177.99 3kjs h ALA 399 N 2.96 1.49 -2.85 3.03 0.00 -0.98 -3.44 119.26 119.47 3kjs h ALA 399 Ca -0.47 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.25 3kjs h ALA 399 Cb 1.17 -0.29 -0.25 0.00 0.00 0.00 0.00 17.79 18.43 3kjs h ALA 399 CO 0.70 0.48 -0.30 -1.17 0.00 0.00 0.00 179.25 178.96 3kjs s LEU 400 N -9.81 0.55 0.54 0.00 2.96 -1.26 -5.01 118.68 106.65 3kjs s LEU 400 Ca -0.11 0.74 -0.20 0.00 -0.22 0.00 0.00 54.13 54.34 3kjs s LEU 400 Cb 0.18 1.24 -0.05 0.00 0.50 0.00 0.00 46.19 48.05 3kjs s LEU 400 CO 0.78 -0.13 1.18 -2.84 -1.32 0.00 0.00 176.35 174.02 3kjs s PRO 401 N 0.31 3.33 0.42 0.98 0.02 -1.26 -4.92 135.00 133.88 3kjs s PRO 401 Ca -0.01 1.78 -0.26 0.00 0.02 0.00 0.00 61.00 62.53 3kjs s PRO 401 Cb -0.03 -2.12 -0.09 0.00 0.02 0.00 0.00 34.50 32.28 3kjs s PRO 401 CO -0.01 -0.91 1.40 -1.25 -0.33 0.00 0.00 177.00 175.91 3kjs s PRO 402 N -3.10 3.87 -0.14 5.54 0.04 -1.26 -4.96 135.00 134.99 3kjs s PRO 402 Ca 0.72 2.37 -0.10 0.00 0.04 0.00 0.00 61.00 64.03 3kjs s PRO 402 Cb -0.29 -2.76 -0.03 0.00 0.04 0.00 0.00 34.50 31.46 3kjs s PRO 402 CO 0.33 -0.65 -0.19 0.00 0.04 0.00 0.00 177.00 176.53 3kjs s HIS 404 N -2.27 2.67 -0.26 0.00 0.00 -1.26 -1.95 115.29 112.22 3kjs s HIS 404 Ca -0.16 0.38 0.08 0.00 -3.00 0.00 0.00 55.06 52.37 3kjs s HIS 404 Cb 0.02 -4.42 -0.10 0.00 -4.00 0.00 0.00 32.58 24.08 3kjs s HIS 404 CO 0.23 -1.50 0.29 1.47 -1.00 0.00 0.00 174.74 174.24 3kjs n LEU 405 N 8.17 0.26 -3.68 5.38 -0.00 -0.84 -4.82 117.00 121.47 3kjs n LEU 405 Ca 0.08 -0.33 -0.14 0.00 -0.00 0.00 0.00 56.01 55.61 3kjs n LEU 405 Cb 0.49 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.82 3kjs n LEU 405 CO 0.70 0.06 0.19 -0.22 -0.00 0.00 0.00 177.39 178.13 3kjs s LEU 406 N -2.78 0.14 -0.03 1.47 0.20 -1.23 -0.43 118.68 116.02 3kjs s LEU 406 Ca 0.01 0.73 -0.05 0.00 0.69 0.00 0.00 54.13 55.50 3kjs s LEU 406 Cb 0.06 1.76 0.01 0.00 -0.43 0.00 0.00 46.19 47.59 3kjs s LEU 406 CO 0.34 -0.32 0.13 0.00 -0.29 0.00 0.00 176.35 176.21 3kjs s ALA 407 N -0.40 -0.32 0.02 5.97 0.00 -0.56 -0.87 121.76 125.60 3kjs s ALA 407 Ca -0.05 0.19 0.06 0.00 0.00 0.00 0.00 51.96 52.15 3kjs s ALA 407 Cb -0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 3kjs s ALA 407 CO 0.03 -0.12 -0.18 -1.14 0.00 0.00 0.00 175.76 174.36 3kjs s GLN 408 N -0.46 1.30 0.23 0.00 0.74 -0.01 -1.19 119.66 120.28 3kjs s GLN 408 Ca -0.05 -0.77 0.08 0.00 0.05 0.00 0.00 55.36 54.66 3kjs s GLN 408 Cb -0.04 -1.33 -0.04 0.00 1.10 0.00 0.00 33.01 32.70 3kjs s GLN 408 CO 0.01 0.35 0.09 -0.06 -0.55 0.00 0.00 175.29 175.12 3kjs s PHE 409 N -0.65 2.94 -0.20 1.67 0.08 -0.08 -0.38 117.98 121.35 3kjs s PHE 409 Ca 0.06 -0.14 -0.18 0.00 0.12 0.00 0.00 56.93 56.79 3kjs s PHE 409 Cb -0.08 -1.35 0.05 0.00 -0.57 0.00 0.00 43.02 41.08 3kjs s PHE 409 CO 0.01 0.55 0.54 -0.47 -0.10 0.00 0.00 175.22 175.74 3kjs s TYR 410 N -2.05 -0.60 -0.09 0.36 5.04 -0.33 -4.71 117.35 114.97 3kjs s TYR 410 Ca 0.31 1.46 0.03 0.00 -2.44 0.00 0.00 57.07 56.43 3kjs s TYR 410 Cb -0.08 0.21 0.00 0.00 0.35 0.00 0.00 41.96 42.45 3kjs s TYR 410 CO 0.22 -0.29 -0.21 0.08 -1.34 0.00 0.00 175.55 174.01 3kjs s VAL 411 N 0.34 1.84 -0.11 3.14 1.01 -1.26 -0.01 120.40 125.35 3kjs s VAL 411 Ca -0.00 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 61.01 3kjs s VAL 411 Cb -0.04 -1.61 0.04 0.00 0.00 0.00 0.00 36.38 34.77 3kjs s VAL 411 CO -0.00 0.51 0.28 -0.94 0.00 0.00 0.00 175.10 174.95 3kjs s SER 412 N 0.46 -0.30 -1.52 3.32 1.04 -0.77 -4.86 113.70 111.07 3kjs s SER 412 Ca -0.17 0.58 -0.13 0.00 0.48 0.00 0.00 55.95 56.71 3kjs s SER 412 Cb -0.17 0.52 0.08 0.00 0.10 0.00 0.00 66.02 66.54 3kjs s SER 412 CO 0.07 -0.14 0.95 0.59 0.98 0.00 0.00 173.24 175.69 3kjs n ASN 413 N 3.66 -4.43 -0.79 7.02 4.13 -1.26 -0.78 115.26 122.81 3kjs n ASN 413 Ca -0.20 -0.79 -0.10 0.00 1.68 0.00 0.00 54.58 55.17 3kjs n ASN 413 Cb 0.55 -3.87 -0.04 0.00 -1.54 0.00 0.00 39.78 34.88 3kjs n ASN 413 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kjs n GLY 414 N -1.69 1.12 3.48 7.41 0.00 -1.26 -4.99 105.19 109.26 3kjs n GLY 414 Ca 0.01 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 3kjs n GLY 414 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kjs s GLU 415 N -2.70 2.79 -0.24 1.61 2.02 0.04 -1.33 118.70 120.89 3kjs s GLU 415 Ca 0.00 -0.66 -0.16 0.00 0.02 0.00 0.00 54.97 54.18 3kjs s GLU 415 Cb 0.00 -2.50 -0.04 0.00 0.10 0.00 0.00 34.13 31.70 3kjs s GLU 415 CO 0.00 0.53 0.41 -1.17 0.02 0.00 0.00 175.26 175.05 3kjs s LEU 416 N -0.48 4.09 0.10 1.80 2.96 0.13 -1.84 118.68 125.45 3kjs s LEU 416 Ca 0.06 0.43 0.08 0.00 -0.22 0.00 0.00 54.13 54.48 3kjs s LEU 416 Cb -0.12 -2.51 -0.04 0.00 0.50 0.00 0.00 46.19 44.02 3kjs s LEU 416 CO 0.02 -0.15 -0.13 -0.44 -1.32 0.00 0.00 176.35 174.33 3kjs s SER 417 N 1.35 4.23 -0.02 3.68 0.01 0.98 0.46 113.70 124.39 3kjs s SER 417 Ca 0.18 -0.43 0.03 0.00 1.31 0.00 0.00 55.95 57.03 3kjs s SER 417 Cb -0.15 -0.75 -0.00 0.00 0.21 0.00 0.00 66.02 65.33 3kjs s SER 417 CO 0.09 0.18 -0.10 0.00 0.41 0.00 0.00 173.24 173.82 3kjs s MET 419 N 0.02 3.50 -0.17 0.00 -2.45 0.48 -0.26 119.30 120.43 3kjs s MET 419 Ca -0.01 -0.59 -0.07 0.00 -1.25 0.00 0.00 55.69 53.77 3kjs s MET 419 Cb -0.07 -2.95 -0.04 0.00 1.25 0.00 0.00 34.83 33.01 3kjs s MET 419 CO 0.00 0.00 0.08 -1.17 1.05 0.00 0.00 175.02 174.99 3kjs s LEU 420 N 0.98 3.97 -0.22 4.11 2.96 -0.21 -0.83 118.68 129.44 3kjs s LEU 420 Ca 0.00 0.18 -0.08 0.00 -0.22 0.00 0.00 54.13 54.02 3kjs s LEU 420 Cb -0.15 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.51 3kjs s LEU 420 CO 0.01 0.23 0.07 -0.47 -1.32 0.00 0.00 176.35 174.88 3kjs s TYR 421 N 0.01 3.17 -0.14 5.38 6.14 -0.05 -0.23 117.35 131.64 3kjs s TYR 421 Ca 0.07 -0.13 0.01 0.00 0.64 0.00 0.00 57.07 57.66 3kjs s TYR 421 Cb -0.12 -2.17 0.02 0.00 0.42 0.00 0.00 41.96 40.11 3kjs s TYR 421 CO 0.00 -0.09 -0.14 -1.14 0.64 0.00 0.00 175.55 174.82 3kjs s GLN 422 N 1.01 2.26 0.19 4.97 0.74 -0.18 -1.98 119.66 126.68 3kjs s GLN 422 Ca 0.04 -0.55 0.00 0.00 0.05 0.00 0.00 55.36 54.90 3kjs s GLN 422 Cb -0.14 -2.04 0.11 0.00 1.10 0.00 0.00 33.01 32.03 3kjs s GLN 422 CO 0.03 -0.20 1.47 0.07 -0.55 0.00 0.00 175.29 176.11 3kjs h ARG 423 N 7.91 0.37 -3.55 1.67 0.11 -1.69 0.21 114.38 119.40 3kjs h ARG 423 Ca -0.36 -0.28 -0.40 0.00 0.10 0.00 0.00 59.98 59.03 3kjs h ARG 423 Cb 1.14 0.05 -0.38 0.00 1.11 0.00 0.00 29.97 31.90 3kjs h ARG 423 CO 0.52 0.92 -0.75 0.45 0.10 0.00 0.00 179.97 181.20 3kjs s SER 424 N -6.95 1.30 -0.32 0.08 0.15 -1.26 -0.86 113.70 105.85 3kjs s SER 424 Ca -0.05 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.59 3kjs s SER 424 Cb 0.11 -0.30 0.10 0.00 -1.71 0.00 0.00 66.02 64.22 3kjs s SER 424 CO 0.83 -0.21 0.09 0.00 1.20 0.00 0.00 173.24 175.15 3kjs s ASP 426 N 1.44 6.52 0.43 0.00 2.15 -1.26 -0.06 116.67 125.88 3kjs s ASP 426 Ca 0.10 0.57 0.12 0.00 0.43 0.00 0.00 52.55 53.77 3kjs s ASP 426 Cb -0.18 -2.55 0.92 0.00 -0.30 0.00 0.00 42.92 40.82 3kjs s ASP 426 CO -0.21 -1.33 1.97 0.24 -0.17 0.00 0.00 175.17 175.68 3kjs h MET 427 N 9.75 0.11 -0.10 4.34 2.86 -1.50 -0.64 114.93 129.75 3kjs h MET 427 Ca -0.25 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.35 3kjs h MET 427 Cb 1.08 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.72 3kjs h MET 427 CO 1.12 0.25 -0.04 0.78 1.06 0.00 0.00 176.91 180.08 3kjs h GLY 428 N 0.60 0.22 0.00 8.32 0.00 -1.91 -3.40 103.07 106.89 3kjs h GLY 428 Ca 0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 3kjs h GLY 428 CO 0.02 0.18 -0.27 -0.10 0.00 0.00 0.00 176.54 176.37 3kjs n LEU 429 N -4.74 0.84 -0.28 3.11 7.94 -1.21 -4.77 117.00 117.88 3kjs n LEU 429 Ca -0.06 0.11 -0.05 0.00 -1.11 0.00 0.00 56.01 54.89 3kjs n LEU 429 Cb 0.26 -0.26 0.07 0.00 0.53 0.00 0.00 43.42 44.02 3kjs n LEU 429 CO 0.36 -0.56 1.17 1.23 -1.11 0.00 0.00 177.39 178.48 3kjs h GLY 430 N -0.01 1.12 0.82 -3.96 0.00 -1.75 -2.95 103.07 96.35 3kjs h GLY 430 Ca -0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 3kjs h GLY 430 CO -0.00 0.45 -0.32 -2.08 0.00 0.00 0.00 176.54 174.59 3kjs h VAL 431 N 1.06 0.22 -0.90 4.60 2.07 -1.35 -0.51 116.25 121.45 3kjs h VAL 431 Ca 0.28 -0.24 0.11 0.00 0.82 0.00 0.00 66.70 67.67 3kjs h VAL 431 Cb -0.05 0.28 -0.08 0.00 -1.52 0.00 0.00 31.29 29.92 3kjs h VAL 431 CO -0.05 0.02 0.53 -0.65 0.02 0.00 0.00 177.57 177.44 3kjs h PRO 432 N -1.09 0.84 -0.25 1.57 0.11 -1.77 -0.04 132.00 131.37 3kjs h PRO 432 Ca -0.09 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.99 3kjs h PRO 432 Cb 0.73 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.62 3kjs h PRO 432 CO 0.15 0.55 0.09 0.35 -0.21 0.00 0.00 178.00 178.94 3kjs h PHE 433 N 0.86 0.17 -0.14 0.65 3.04 -1.46 -2.65 116.94 117.42 3kjs h PHE 433 Ca 0.44 0.01 -0.14 0.00 3.98 0.00 0.00 57.97 62.26 3kjs h PHE 433 Cb 0.43 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 38.89 3kjs h PHE 433 CO -0.04 0.09 -0.52 -0.91 -2.02 0.00 0.00 178.31 174.91 3kjs h ASN 434 N 0.21 0.42 -0.42 0.41 2.35 -0.06 -1.47 115.58 117.02 3kjs h ASN 434 Ca 0.11 -0.21 0.08 0.00 -0.55 0.00 0.00 56.30 55.72 3kjs h ASN 434 Cb 0.07 -0.12 -0.07 0.00 0.05 0.00 0.00 38.32 38.25 3kjs h ASN 434 CO -0.10 0.86 0.02 0.40 -1.65 0.00 0.00 177.43 176.96 3kjs h ILE 435 N 0.30 0.70 -0.52 2.81 1.08 -0.93 -1.72 117.51 119.23 3kjs h ILE 435 Ca 0.01 -0.04 -0.09 0.00 -0.39 0.00 0.00 64.86 64.34 3kjs h ILE 435 Cb 1.01 0.56 -0.02 0.00 -3.07 0.00 0.00 36.82 35.30 3kjs h ILE 435 CO 0.09 0.02 -0.04 0.00 -0.69 0.00 0.00 178.15 177.53 3kjs h ALA 436 N 1.36 0.70 -0.11 1.87 0.00 -1.14 -1.56 119.26 120.37 3kjs h ALA 436 Ca 0.21 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.84 3kjs h ALA 436 Cb 0.29 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3kjs h ALA 436 CO -0.33 0.55 -0.07 0.77 0.00 0.00 0.00 179.25 180.17 3kjs h SER 437 N 0.80 -0.22 1.80 0.00 0.02 -0.96 -1.45 113.55 113.54 3kjs h SER 437 Ca 0.14 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3kjs h SER 437 Cb 0.58 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.24 3kjs h SER 437 CO 0.03 -0.09 0.00 1.88 -1.14 0.00 0.00 176.83 177.51 3kjs h TYR 438 N -0.07 0.00 0.07 3.45 -1.99 -1.26 -0.41 116.97 116.76 3kjs h TYR 438 Ca 0.07 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.79 3kjs h TYR 438 Cb 0.17 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.90 3kjs h TYR 438 CO -0.19 0.00 -0.03 0.00 -0.00 0.00 0.00 178.16 177.93 3kjs h ALA 439 N 2.15 -0.10 -0.32 3.88 0.00 -1.10 -1.91 119.26 121.85 3kjs h ALA 439 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.79 3kjs h ALA 439 Cb 0.90 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3kjs h ALA 439 CO 0.00 -0.43 0.20 1.25 0.00 0.00 0.00 179.25 180.27 3kjs h LEU 440 N -0.34 0.33 -0.25 0.00 5.85 -0.97 -1.27 115.31 118.66 3kjs h LEU 440 Ca -0.01 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.76 3kjs h LEU 440 Cb 0.30 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 3kjs h LEU 440 CO 0.02 0.24 -0.08 0.25 -0.34 0.00 0.00 178.44 178.53 3kjs h LEU 441 N 0.41 -0.30 -0.64 2.25 5.85 -1.11 -0.03 115.31 121.75 3kjs h LEU 441 Ca 0.12 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3kjs h LEU 441 Cb -0.02 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3kjs h LEU 441 CO -0.04 -0.11 0.31 0.74 -0.34 0.00 0.00 178.44 178.99 3kjs h THR 442 N -0.03 1.22 -0.70 1.05 2.02 -1.13 0.99 112.91 116.33 3kjs h THR 442 Ca 0.13 -0.61 0.04 0.00 0.77 0.00 0.00 66.41 66.73 3kjs h THR 442 Cb 0.22 0.45 -0.05 0.00 -1.74 0.00 0.00 68.15 67.03 3kjs h THR 442 CO -0.28 0.25 0.43 0.40 0.37 0.00 0.00 175.52 176.69 3kjs h ILE 443 N 0.88 1.05 -0.25 3.11 2.04 -0.92 0.75 117.51 124.17 3kjs h ILE 443 Ca 0.22 -0.28 -0.09 0.00 1.00 0.00 0.00 64.86 65.71 3kjs h ILE 443 Cb 0.12 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 3kjs h ILE 443 CO -0.03 0.15 -0.19 -0.07 0.00 0.00 0.00 178.15 178.01 3kjs h LEU 444 N 0.81 0.59 -0.94 1.44 3.38 -0.32 -1.99 115.31 118.29 3kjs h LEU 444 Ca 0.29 -0.45 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 3kjs h LEU 444 Cb 0.08 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3kjs h LEU 444 CO -0.13 0.92 -0.15 0.40 0.09 0.00 0.00 178.44 179.57 3kjs h ILE 445 N 0.28 1.25 -0.46 1.22 1.08 -0.67 0.17 117.51 120.38 3kjs h ILE 445 Ca 0.05 -1.14 0.02 0.00 -0.39 0.00 0.00 64.86 63.40 3kjs h ILE 445 Cb 0.73 1.15 -0.03 0.00 -3.07 0.00 0.00 36.82 35.59 3kjs h ILE 445 CO 0.05 0.38 0.26 0.00 -0.69 0.00 0.00 178.15 178.15 3kjs h ALA 446 N 1.29 0.58 -0.42 1.87 0.00 -0.79 -1.92 119.26 119.87 3kjs h ALA 446 Ca 0.09 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3kjs h ALA 446 Cb 0.57 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3kjs h ALA 446 CO 0.04 -0.06 -0.07 0.87 0.00 0.00 0.00 179.25 180.03 3kjs h LYS 447 N 0.52 0.73 0.00 0.00 1.57 -0.77 -0.70 116.57 117.91 3kjs h LYS 447 Ca 0.19 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3kjs h LYS 447 Cb 0.04 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.27 3kjs h LYS 447 CO -0.10 0.78 0.00 0.00 -0.57 0.00 0.00 179.45 179.57 3kjs h ALA 448 N 1.26 1.00 0.00 3.86 0.00 -0.57 -3.25 119.26 121.55 3kjs h ALA 448 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3kjs h ALA 448 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3kjs h ALA 448 CO 0.03 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.53 3kjs n THR 449 N -2.56 0.40 -1.99 0.00 -2.24 -0.76 -4.43 114.28 102.71 3kjs n THR 449 Ca 0.01 -0.68 -0.10 0.00 -2.27 0.00 0.00 64.05 61.01 3kjs n THR 449 Cb 0.23 0.82 -0.01 0.00 -2.10 0.00 0.00 70.33 69.27 3kjs n THR 449 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kjs n GLY 450 N -0.20 0.23 3.68 3.38 0.00 -0.82 -4.74 105.19 106.72 3kjs n GLY 450 Ca 0.00 -0.48 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 3kjs n GLY 450 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kjs s LEU 451 N -2.84 3.34 0.24 0.99 1.43 -0.33 -4.38 118.68 117.13 3kjs s LEU 451 Ca 0.00 -0.51 -0.20 0.00 -1.03 0.00 0.00 54.13 52.40 3kjs s LEU 451 Cb 0.00 -1.89 -0.08 0.00 0.03 0.00 0.00 46.19 44.24 3kjs s LEU 451 CO 0.00 0.02 0.74 -0.13 0.23 0.00 0.00 176.35 177.21 3kjs s ARG 452 N -3.51 4.25 0.34 1.70 0.52 -0.44 -4.18 118.95 117.62 3kjs s ARG 452 Ca 0.31 0.88 -0.28 0.00 -0.52 0.00 0.00 55.73 56.12 3kjs s ARG 452 Cb -0.07 -2.82 -0.09 0.00 0.52 0.00 0.00 34.95 32.48 3kjs s ARG 452 CO 0.20 0.36 1.21 -1.25 0.02 0.00 0.00 175.30 175.84 3kjs s PRO 453 N -2.10 4.34 0.00 3.54 0.04 -1.26 0.18 135.00 139.74 3kjs s PRO 453 Ca 0.45 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.47 3kjs s PRO 453 Cb -0.16 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.40 3kjs s PRO 453 CO 0.21 -0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.54 3kjs n GLY 454 N 0.86 0.78 3.34 0.56 0.00 0.17 -3.96 105.19 106.94 3kjs n GLY 454 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3kjs n GLY 454 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kjs s GLU 455 N 1.65 2.43 -0.23 1.61 2.56 -1.23 0.69 118.70 126.16 3kjs s GLU 455 Ca 0.00 -0.85 -0.12 0.00 0.00 0.00 0.00 54.97 53.99 3kjs s GLU 455 Cb 0.00 -2.19 -0.05 0.00 2.00 0.00 0.00 34.13 33.89 3kjs s GLU 455 CO 0.00 0.49 0.25 -1.17 -0.56 0.00 0.00 175.26 174.27 3kjs s LEU 456 N -0.43 4.12 -0.13 2.70 2.96 0.16 -1.02 118.68 127.04 3kjs s LEU 456 Ca 0.05 0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 54.19 3kjs s LEU 456 Cb -0.12 -2.26 -0.02 0.00 0.50 0.00 0.00 46.19 44.29 3kjs s LEU 456 CO 0.01 0.01 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.28 3kjs s VAL 457 N 1.19 3.54 -0.28 1.68 1.01 0.64 0.10 120.40 128.27 3kjs s VAL 457 Ca 0.12 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.61 3kjs s VAL 457 Cb -0.14 -2.51 0.05 0.00 0.00 0.00 0.00 36.38 33.78 3kjs s VAL 457 CO 0.06 0.52 -0.05 -2.28 0.00 0.00 0.00 175.10 173.34 3kjs s HIS 458 N 0.20 3.26 -0.21 5.22 2.46 0.87 -1.05 115.29 126.04 3kjs s HIS 458 Ca -0.05 -2.08 -0.15 0.00 0.47 0.00 0.00 55.06 53.25 3kjs s HIS 458 Cb -0.14 -2.02 -0.04 0.00 -0.13 0.00 0.00 32.58 30.25 3kjs s HIS 458 CO 0.04 -0.84 0.38 0.99 -2.47 0.00 0.00 174.74 172.84 3kjs s THR 459 N 1.18 5.21 -0.11 0.89 2.01 0.68 -1.28 115.64 124.22 3kjs s THR 459 Ca -0.07 0.65 -0.02 0.00 0.31 0.00 0.00 61.69 62.56 3kjs s THR 459 Cb -0.20 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.57 3kjs s THR 459 CO -0.03 0.25 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.35 3kjs s LEU 460 N 1.39 3.34 0.00 4.42 1.02 -0.45 -1.01 118.68 127.38 3kjs s LEU 460 Ca 0.18 -0.01 0.00 0.00 0.02 0.00 0.00 54.13 54.32 3kjs s LEU 460 Cb -0.15 -1.77 0.00 0.00 0.02 0.00 0.00 46.19 44.29 3kjs s LEU 460 CO 0.08 0.29 0.00 0.61 0.02 0.00 0.00 176.35 177.35 3kjs n GLY 461 N 2.72 1.18 3.53 -3.19 0.00 0.73 -1.74 105.19 108.42 3kjs n GLY 461 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 3kjs n GLY 461 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kjs s ASP 462 N -1.00 6.16 -0.25 1.61 -1.08 -0.04 -0.81 116.67 121.27 3kjs s ASP 462 Ca 0.00 -0.54 -0.10 0.00 -0.52 0.00 0.00 52.55 51.39 3kjs s ASP 462 Cb 0.00 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.88 3kjs s ASP 462 CO 0.00 -1.77 0.14 0.00 0.52 0.00 0.00 175.17 174.06 3kjs s ALA 463 N 5.45 3.48 0.03 3.66 0.00 -0.39 -0.22 121.76 133.76 3kjs s ALA 463 Ca 0.33 -0.98 -0.04 0.00 0.00 0.00 0.00 51.96 51.27 3kjs s ALA 463 Cb -0.10 -2.28 -0.01 0.00 0.00 0.00 0.00 23.12 20.74 3kjs s ALA 463 CO 0.14 -0.31 0.07 -3.38 0.00 0.00 0.00 175.76 172.28 3kjs s HIS 464 N 1.29 0.21 -0.03 0.00 -3.43 0.91 -1.35 115.29 112.88 3kjs s HIS 464 Ca 0.07 -0.50 0.07 0.00 -0.80 0.00 0.00 55.06 53.89 3kjs s HIS 464 Cb -0.14 -0.16 -0.01 0.00 -1.43 0.00 0.00 32.58 30.84 3kjs s HIS 464 CO 0.06 -0.32 -0.24 0.08 -2.00 0.00 0.00 174.74 172.32 3kjs s VAL 465 N -2.32 1.89 0.28 -5.38 1.01 -0.20 -1.08 120.40 114.60 3kjs s VAL 465 Ca -0.07 -1.00 -0.29 0.00 0.00 0.00 0.00 61.98 60.61 3kjs s VAL 465 Cb -0.03 -1.59 -0.10 0.00 0.00 0.00 0.00 36.38 34.67 3kjs s VAL 465 CO -0.03 0.53 1.18 -0.31 0.00 0.00 0.00 175.10 176.46 3kjs s TYR 466 N -0.37 3.41 0.43 5.22 1.51 -1.26 -0.37 117.35 125.92 3kjs s TYR 466 Ca 0.04 1.57 0.09 0.00 -1.01 0.00 0.00 57.07 57.76 3kjs s TYR 466 Cb -0.11 -3.42 0.94 0.00 -0.11 0.00 0.00 41.96 39.26 3kjs s TYR 466 CO 0.01 -1.04 2.06 0.77 -1.11 0.00 0.00 175.55 176.24 3kjs h SER 467 N 3.97 0.39 0.00 2.29 0.02 -1.66 0.48 113.55 119.04 3kjs h SER 467 Ca -0.47 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3kjs h SER 467 Cb 1.22 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.66 3kjs h SER 467 CO 0.68 0.28 0.00 -0.46 -1.14 0.00 0.00 176.83 176.19 3kjs n ASN 468 N -4.48 0.00 0.00 3.07 6.94 -1.26 -2.96 115.26 116.56 3kjs n ASN 468 Ca 0.03 -1.75 0.00 0.00 -0.02 0.00 0.00 54.58 52.84 3kjs n ASN 468 Cb 0.11 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.53 3kjs n ASN 468 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 3kjs n HIS 469 N -0.54 0.00 -0.03 -2.53 8.25 0.15 -4.79 115.22 115.73 3kjs n HIS 469 Ca 0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.37 3kjs n HIS 469 Cb 0.01 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.08 3kjs n HIS 469 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3kjs h VAL 470 N 0.07 1.05 0.28 1.59 2.07 -1.42 0.36 116.25 120.25 3kjs h VAL 470 Ca 0.00 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 3kjs h VAL 470 Cb 0.03 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3kjs h VAL 470 CO 0.00 0.05 -0.21 -0.08 0.02 0.00 0.00 177.57 177.35 3kjs h GLU 471 N 0.22 -0.48 -0.64 1.57 4.81 -1.87 -0.99 114.58 117.20 3kjs h GLU 471 Ca 0.06 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3kjs h GLU 471 Cb -0.01 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 3kjs h GLU 471 CO -0.01 -0.32 0.40 -1.35 -0.73 0.00 0.00 179.01 177.00 3kjs h PRO 472 N -0.50 0.78 -0.87 0.92 0.11 -1.86 -2.88 132.00 127.70 3kjs h PRO 472 Ca -0.02 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3kjs h PRO 472 Cb 0.43 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.33 3kjs h PRO 472 CO -0.01 0.52 0.54 0.00 -0.21 0.00 0.00 178.00 178.84 3kjs h ASN 474 N 1.19 0.70 -0.42 0.00 2.35 -1.01 -0.05 115.58 118.36 3kjs h ASN 474 Ca 0.32 -0.07 -0.07 0.00 -0.55 0.00 0.00 56.30 55.92 3kjs h ASN 474 Cb -0.08 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 3kjs h ASN 474 CO -0.06 0.61 -0.02 -0.33 -1.65 0.00 0.00 177.43 175.99 3kjs h GLU 475 N 0.78 0.75 -0.18 0.81 4.39 -1.22 -3.06 114.58 116.85 3kjs h GLU 475 Ca 0.19 -0.25 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 3kjs h GLU 475 Cb 0.11 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3kjs h GLU 475 CO -0.02 0.83 -0.02 0.37 -1.16 0.00 0.00 179.01 179.01 3kjs h GLN 476 N 0.58 0.27 0.00 2.33 4.15 -0.69 -2.48 115.11 119.26 3kjs h GLN 476 Ca 0.12 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.49 3kjs h GLN 476 Cb 0.51 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.15 3kjs h GLN 476 CO 0.02 0.31 0.00 -0.07 -1.93 0.00 0.00 178.83 177.17 3kjs h LEU 477 N 0.26 0.00 0.00 -2.39 3.38 -0.91 -2.31 115.31 113.34 3kjs h LEU 477 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3kjs h LEU 477 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3kjs h LEU 477 CO 0.01 0.00 -0.11 0.11 0.09 0.00 0.00 178.44 178.53 3kjs h LYS 478 N 0.00 0.00 -6.62 1.13 1.57 -1.49 -3.46 116.57 107.69 3kjs h LYS 478 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 3kjs h LYS 478 Cb 0.32 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.64 3kjs h LYS 478 CO 0.00 0.00 0.53 1.03 -0.57 0.00 0.00 179.45 180.44 3kjs s ARG 479 N -3.20 4.51 -0.14 3.15 0.52 -0.87 -5.01 118.95 117.91 3kjs s ARG 479 Ca 0.07 1.81 -0.26 0.00 -0.52 0.00 0.00 55.73 56.82 3kjs s ARG 479 Cb 0.07 -3.27 -0.02 0.00 0.52 0.00 0.00 34.95 32.25 3kjs s ARG 479 CO 0.67 -0.07 0.87 0.08 0.02 0.00 0.00 175.30 176.87 3kjs s VAL 480 N 0.12 4.87 0.41 3.52 1.01 -1.26 -5.01 120.40 124.05 3kjs s VAL 480 Ca 0.53 1.74 -0.26 0.00 0.00 0.00 0.00 61.98 63.99 3kjs s VAL 480 Cb -0.31 -4.18 -0.09 0.00 0.00 0.00 0.00 36.38 31.80 3kjs s VAL 480 CO 0.35 0.04 1.34 -2.84 0.00 0.00 0.00 175.10 173.99 3kjs s PRO 481 N 1.98 3.95 0.59 2.72 0.02 -1.26 -4.91 135.00 138.09 3kjs s PRO 481 Ca 0.41 2.24 0.06 0.00 0.02 0.00 0.00 61.00 63.73 3kjs s PRO 481 Cb -0.17 -2.77 0.08 0.00 0.02 0.00 0.00 34.50 31.66 3kjs s PRO 481 CO 0.15 -0.54 0.82 1.03 -0.33 0.00 0.00 177.00 178.13 3kjs s ARG 482 N -2.24 2.21 0.44 5.54 0.52 -1.26 -4.52 118.95 119.63 3kjs s ARG 482 Ca 0.57 -1.35 -0.24 0.00 -0.52 0.00 0.00 55.73 54.18 3kjs s ARG 482 Cb -0.40 -2.56 -0.08 0.00 0.52 0.00 0.00 34.95 32.44 3kjs s ARG 482 CO 0.52 -0.94 1.24 0.00 0.02 0.00 0.00 175.30 176.13 3kjs s ALA 483 N -2.77 3.09 0.56 2.13 0.00 -1.26 -4.80 121.76 118.71 3kjs s ALA 483 Ca 0.62 1.09 -0.19 0.00 0.00 0.00 0.00 51.96 53.48 3kjs s ALA 483 Cb -0.07 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 3kjs s ALA 483 CO 0.40 -0.78 1.15 -0.06 0.00 0.00 0.00 175.76 176.47 3kjs s PHE 484 N -1.39 2.59 0.68 0.00 0.08 -1.26 -4.80 117.98 113.89 3kjs s PHE 484 Ca 0.61 1.54 -0.12 0.00 0.12 0.00 0.00 56.93 59.08 3kjs s PHE 484 Cb -0.34 -3.34 0.16 0.00 -0.57 0.00 0.00 43.02 38.94 3kjs s PHE 484 CO 0.42 -1.75 0.85 -0.35 -0.10 0.00 0.00 175.22 174.29 3kjs n PRO 485 N -1.40 -1.20 -4.30 0.24 -0.04 -1.23 -4.87 135.00 122.20 3kjs n PRO 485 Ca 0.12 -1.32 -0.19 0.00 -0.04 0.00 0.00 63.50 62.07 3kjs n PRO 485 Cb 0.51 -0.95 -0.11 0.00 -0.04 0.00 0.00 33.50 32.91 3kjs n PRO 485 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3kjs s TYR 486 N -2.79 1.60 -0.17 0.54 1.51 -1.05 -1.10 117.35 115.90 3kjs s TYR 486 Ca 0.49 -0.55 -0.03 0.00 -1.01 0.00 0.00 57.07 55.97 3kjs s TYR 486 Cb -0.02 -0.80 -0.02 0.00 -0.11 0.00 0.00 41.96 41.01 3kjs s TYR 486 CO 0.35 0.25 -0.05 -1.17 -1.11 0.00 0.00 175.55 173.83 3kjs s LEU 487 N -2.78 3.08 -0.09 -1.29 2.96 0.59 -1.41 118.68 119.75 3kjs s LEU 487 Ca 0.15 -0.23 0.03 0.00 -0.22 0.00 0.00 54.13 53.86 3kjs s LEU 487 Cb -0.04 -1.75 0.00 0.00 0.50 0.00 0.00 46.19 44.91 3kjs s LEU 487 CO 0.05 0.11 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.30 3kjs s VAL 488 N 0.69 1.73 -0.36 1.68 1.01 -0.46 -4.78 120.40 119.91 3kjs s VAL 488 Ca -0.03 -0.83 -0.20 0.00 0.00 0.00 0.00 61.98 60.93 3kjs s VAL 488 Cb -0.15 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.72 3kjs s VAL 488 CO 0.02 0.49 0.59 -0.36 0.00 0.00 0.00 175.10 175.84 3kjs s PHE 489 N 0.44 3.15 -0.46 5.22 0.40 -1.26 -0.36 117.98 125.11 3kjs s PHE 489 Ca -0.17 0.26 0.23 0.00 -0.60 0.00 0.00 56.93 56.65 3kjs s PHE 489 Cb -0.17 -3.08 0.36 0.00 0.51 0.00 0.00 43.02 40.64 3kjs s PHE 489 CO 0.07 -0.61 1.55 0.00 0.70 0.00 0.00 175.22 176.92 3kjs h ARG 490 N 8.49 0.00 -3.25 0.44 2.47 -1.31 -3.46 114.38 117.76 3kjs h ARG 490 Ca -0.27 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.42 3kjs h ARG 490 Cb 1.11 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 29.31 3kjs h ARG 490 CO 0.82 0.00 0.03 -0.98 0.56 0.00 0.00 179.97 180.40 3kjs s ARG 491 N -3.21 1.17 0.47 0.04 1.70 -1.16 -5.07 118.95 112.90 3kjs s ARG 491 Ca 0.06 -0.65 0.06 0.00 -0.47 0.00 0.00 55.73 54.74 3kjs s ARG 491 Cb 0.07 0.52 -0.01 0.00 -0.57 0.00 0.00 34.95 34.96 3kjs s ARG 491 CO 0.68 -0.48 0.29 -1.21 -1.08 0.00 0.00 175.30 173.49 3kjs s GLU 492 N -3.79 2.30 0.07 3.89 0.41 -1.26 -4.84 118.70 115.47 3kjs s GLU 492 Ca 0.03 -1.89 0.03 0.00 -0.41 0.00 0.00 54.97 52.74 3kjs s GLU 492 Cb 0.01 -2.07 -0.03 0.00 -1.78 0.00 0.00 34.13 30.25 3kjs s GLU 492 CO -0.11 -0.34 -0.10 1.03 -0.49 0.00 0.00 175.26 175.25 3kjs s ARG 493 N -4.09 0.73 0.32 1.61 1.81 -1.26 -5.04 118.95 113.03 3kjs s ARG 493 Ca 0.37 -0.98 0.03 0.00 -1.72 0.00 0.00 55.73 53.44 3kjs s ARG 493 Cb 0.00 -0.51 0.54 0.00 -0.45 0.00 0.00 34.95 34.54 3kjs s ARG 493 CO 0.22 0.09 1.84 1.49 -0.68 0.00 0.00 175.30 178.26 3kjs h GLU 494 N 4.03 0.56 -5.50 3.54 4.81 -1.96 -3.43 114.58 116.64 3kjs h GLU 494 Ca -0.38 -0.13 -0.49 0.00 -0.13 0.00 0.00 59.36 58.23 3kjs h GLU 494 Cb 1.19 -0.08 -0.26 0.00 0.63 0.00 0.00 28.75 30.23 3kjs h GLU 494 CO 0.46 0.60 -0.81 -0.06 -0.73 0.00 0.00 179.01 178.47 3kjs s PHE 495 N -4.93 1.38 0.27 0.92 0.08 -1.26 -1.09 117.98 113.35 3kjs s PHE 495 Ca -0.08 -0.33 0.01 0.00 0.12 0.00 0.00 56.93 56.65 3kjs s PHE 495 Cb 0.15 -0.84 0.61 0.00 -0.57 0.00 0.00 43.02 42.37 3kjs s PHE 495 CO 0.77 0.03 1.73 1.25 -0.10 0.00 0.00 175.22 178.91 3kjs h LEU 496 N 5.17 0.44 0.00 -0.37 5.85 -1.28 -1.67 115.31 123.46 3kjs h LEU 496 Ca -0.38 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.46 3kjs h LEU 496 Cb 1.17 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.26 3kjs h LEU 496 CO 0.45 0.13 0.00 -0.62 -0.34 0.00 0.00 178.44 178.06 3kjs n GLU 497 N -4.94 0.21 0.00 1.25 4.71 -1.26 -3.14 120.64 117.47 3kjs n GLU 497 Ca 0.19 0.11 0.13 0.00 -0.01 0.00 0.00 57.16 57.57 3kjs n GLU 497 Cb 0.52 -1.50 0.27 0.00 -1.01 0.00 0.00 31.44 29.72 3kjs n GLU 497 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3kjs n ASP 498 N -1.35 2.29 -4.73 1.62 8.00 -0.63 -4.91 116.55 116.84 3kjs n ASP 498 Ca 0.08 -1.73 -0.42 0.00 0.71 0.00 0.00 54.79 53.44 3kjs n ASP 498 Cb 0.19 0.04 -0.03 0.00 -0.02 0.00 0.00 41.12 41.30 3kjs n ASP 498 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kjs s TYR 499 N -2.05 3.11 0.27 1.24 2.02 -1.19 -4.98 117.35 115.77 3kjs s TYR 499 Ca 0.31 0.91 0.08 0.00 -0.37 0.00 0.00 57.07 58.00 3kjs s TYR 499 Cb 0.20 -3.80 -0.04 0.00 -0.40 0.00 0.00 41.96 37.92 3kjs s TYR 499 CO 0.34 -2.76 0.09 -1.21 -1.57 0.00 0.00 175.55 170.44 3kjs s GLU 500 N 0.43 2.55 0.36 -0.62 2.02 -1.26 -5.00 118.70 117.18 3kjs s GLU 500 Ca 0.63 -1.28 0.05 0.00 0.02 0.00 0.00 54.97 54.39 3kjs s GLU 500 Cb -0.41 -2.32 0.72 0.00 0.10 0.00 0.00 34.13 32.22 3kjs s GLU 500 CO 0.36 0.36 1.99 1.49 0.02 0.00 0.00 175.26 179.48 3kjs h GLU 501 N 1.70 0.75 0.00 1.61 4.22 -1.94 -1.98 114.58 118.94 3kjs h GLU 501 Ca -0.46 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 58.94 3kjs h GLU 501 Cb 1.25 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3kjs h GLU 501 CO 0.61 0.50 0.00 0.41 -2.18 0.00 0.00 179.01 178.34 3kjs n GLY 502 N -1.45 -1.14 0.10 1.92 0.00 -1.26 -2.67 105.19 100.69 3kjs n GLY 502 Ca 0.08 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.32 3kjs n GLY 502 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kjs n ASP 503 N -2.15 0.62 -4.12 1.61 8.00 -0.74 -4.84 116.55 114.92 3kjs n ASP 503 Ca 0.01 0.60 -0.15 0.00 0.71 0.00 0.00 54.79 55.96 3kjs n ASP 503 Cb 0.18 -0.75 -0.11 0.00 -0.02 0.00 0.00 41.12 40.42 3kjs n ASP 503 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kjs s MET 504 N -3.16 0.69 -0.05 -1.24 0.23 -1.09 -0.79 119.30 113.89 3kjs s MET 504 Ca 0.08 -0.91 0.02 0.00 -1.03 0.00 0.00 55.69 53.85 3kjs s MET 504 Cb 0.12 -0.50 0.02 0.00 -1.53 0.00 0.00 34.83 32.93 3kjs s MET 504 CO 0.49 0.10 -0.07 -2.00 -2.03 0.00 0.00 175.02 171.50 3kjs s GLU 505 N -1.92 1.08 -0.17 3.16 2.12 0.52 -4.93 118.70 118.55 3kjs s GLU 505 Ca -0.04 -0.21 -0.25 0.00 0.36 0.00 0.00 54.97 54.83 3kjs s GLU 505 Cb -0.08 -0.99 -0.02 0.00 0.26 0.00 0.00 34.13 33.30 3kjs s GLU 505 CO 0.01 -0.03 0.80 0.08 -0.54 0.00 0.00 175.26 175.58 3kjs s VAL 506 N 0.75 4.90 -0.10 3.70 1.01 -1.26 -1.36 120.40 128.04 3kjs s VAL 506 Ca -0.12 1.56 -0.02 0.00 0.00 0.00 0.00 61.98 63.41 3kjs s VAL 506 Cb -0.14 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 3kjs s VAL 506 CO 0.01 0.04 -0.03 0.27 0.00 0.00 0.00 175.10 175.39 3kjs s ILE 507 N 2.12 4.01 -1.20 2.22 -4.36 -0.50 -4.70 121.20 118.80 3kjs s ILE 507 Ca 0.37 -0.35 -0.06 0.00 -0.26 0.00 0.00 60.65 60.35 3kjs s ILE 507 Cb -0.16 -2.69 0.01 0.00 1.25 0.00 0.00 42.46 40.86 3kjs s ILE 507 CO 0.12 0.57 1.03 0.47 0.24 0.00 0.00 174.94 177.37 3kjs n ASP 508 N 2.55 -4.96 -4.52 4.36 8.00 -1.26 -2.52 116.55 118.20 3kjs n ASP 508 Ca -0.18 -0.51 -0.43 0.00 0.71 0.00 0.00 54.79 54.38 3kjs n ASP 508 Cb 0.53 -4.64 -0.06 0.00 -0.02 0.00 0.00 41.12 36.93 3kjs n ASP 508 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3kjs s TYR 509 N -3.30 3.00 -0.68 1.24 5.04 -1.26 -4.36 117.35 117.03 3kjs s TYR 509 Ca 0.39 -0.00 0.05 0.00 -2.44 0.00 0.00 57.07 55.08 3kjs s TYR 509 Cb -0.17 -3.59 0.20 0.00 0.35 0.00 0.00 41.96 38.75 3kjs s TYR 509 CO 0.66 -0.99 0.60 0.00 -1.34 0.00 0.00 175.55 174.48 3kjs n ALA 510 N 6.59 3.70 -1.89 3.97 0.00 -1.26 -5.08 120.51 126.53 3kjs n ALA 510 Ca -0.00 -4.63 -0.30 0.00 0.00 0.00 0.00 53.44 48.50 3kjs n ALA 510 Cb 0.48 -0.97 0.03 0.00 0.00 0.00 0.00 19.45 18.98 3kjs n ALA 510 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kjs s PRO 511 N -1.90 3.22 0.77 0.00 0.04 -1.26 -4.94 135.00 130.93 3kjs s PRO 511 Ca 0.31 0.58 -0.13 0.00 0.04 0.00 0.00 61.00 61.80 3kjs s PRO 511 Cb 0.04 -2.06 0.06 0.00 0.04 0.00 0.00 34.50 32.58 3kjs s PRO 511 CO -0.10 -0.79 1.15 0.71 0.04 0.00 0.00 177.00 178.01 3kjs s TYR 512 N -3.25 2.15 0.92 0.56 1.51 0.23 -4.95 117.35 114.52 3kjs s TYR 512 Ca 0.56 1.63 -0.11 0.00 -1.01 0.00 0.00 57.07 58.14 3kjs s TYR 512 Cb -0.11 -3.30 0.15 0.00 -0.11 0.00 0.00 41.96 38.59 3kjs s TYR 512 CO 0.52 -2.33 1.09 -2.14 -1.11 0.00 0.00 175.55 171.59 3kjs s PRO 513 N -4.34 1.02 0.00 -1.71 0.02 -1.26 -4.35 135.00 124.38 3kjs s PRO 513 Ca 0.68 0.94 0.17 0.00 0.02 0.00 0.00 61.00 62.81 3kjs s PRO 513 Cb -0.23 -1.77 1.00 0.00 0.02 0.00 0.00 34.50 33.51 3kjs s PRO 513 CO 0.50 -2.44 1.40 -0.35 -0.33 0.00 0.00 177.00 175.78