#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kjs n LEU 3 N 0.00 0.00 0.01 1.04 -0.00 -1.26 -2.86 117.00 113.94 3kjs n LEU 3 Ca 0.00 0.18 0.11 0.00 -0.00 0.00 0.00 56.01 56.30 3kjs n LEU 3 Cb 0.00 -0.18 -0.03 0.00 -0.00 0.00 0.00 43.42 43.21 3kjs n LEU 3 CO 0.00 -0.03 -0.09 0.49 -0.00 0.00 0.00 177.39 177.77 3kjs n PHE 4 N -1.18 0.13 -1.87 1.47 3.72 -1.26 -4.95 117.46 113.52 3kjs n PHE 4 Ca 0.15 0.04 -0.29 0.00 -0.05 0.00 0.00 57.45 57.30 3kjs n PHE 4 Cb 0.16 -0.31 0.10 0.00 -0.94 0.00 0.00 39.48 38.49 3kjs n PHE 4 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3kjs s LYS 5 N -3.17 1.86 -0.24 -1.08 1.02 -1.13 -5.04 119.74 111.96 3kjs s LYS 5 Ca 0.04 0.11 -0.06 0.00 0.02 0.00 0.00 55.97 56.07 3kjs s LYS 5 Cb 0.15 -1.94 -0.02 0.00 -0.52 0.00 0.00 37.83 35.50 3kjs s LYS 5 CO 0.83 -1.67 0.04 0.42 -0.92 0.00 0.00 175.35 174.05 3kjs s ILE 6 N -3.57 4.09 -0.05 2.17 1.01 -1.26 -5.00 121.20 118.60 3kjs s ILE 6 Ca 0.63 -0.25 -0.29 0.00 0.00 0.00 0.00 60.65 60.73 3kjs s ILE 6 Cb -0.11 -2.90 -0.02 0.00 0.01 0.00 0.00 42.46 39.43 3kjs s ILE 6 CO 0.49 0.36 0.98 -0.60 0.00 0.00 0.00 174.94 176.17 3kjs s ARG 7 N 1.54 4.50 0.27 2.79 3.52 -1.26 -0.68 118.95 129.62 3kjs s ARG 7 Ca 0.06 1.38 -0.29 0.00 -0.13 0.00 0.00 55.73 56.74 3kjs s ARG 7 Cb -0.15 -3.49 -0.09 0.00 -1.56 0.00 0.00 34.95 29.65 3kjs s ARG 7 CO 0.02 -0.16 1.11 -1.64 -0.81 0.00 0.00 175.30 173.83 3kjs s MET 8 N 1.42 4.62 1.00 5.12 -1.94 0.33 -4.90 119.30 124.95 3kjs s MET 8 Ca 0.50 1.82 -0.14 0.00 -1.71 0.00 0.00 55.69 56.15 3kjs s MET 8 Cb -0.20 -3.19 0.19 0.00 2.01 0.00 0.00 34.83 33.64 3kjs s MET 8 CO 0.23 0.18 1.16 -1.25 -0.01 0.00 0.00 175.02 175.33 3kjs s PRO 9 N -1.32 0.44 0.49 2.03 0.04 -1.26 -4.94 135.00 130.48 3kjs s PRO 9 Ca 0.45 0.11 0.24 0.00 0.04 0.00 0.00 61.00 61.85 3kjs s PRO 9 Cb -0.32 -1.77 1.29 0.00 0.04 0.00 0.00 34.50 33.73 3kjs s PRO 9 CO 0.41 -2.64 2.02 1.05 0.04 0.00 0.00 177.00 177.88 3kjs h GLU 10 N -1.81 0.00 -0.34 4.56 9.09 -1.96 -2.91 114.58 121.21 3kjs h GLU 10 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.92 3kjs h GLU 10 Cb 1.31 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.41 3kjs h GLU 10 CO 0.51 0.16 0.00 0.25 0.05 0.00 0.00 179.01 179.98 3kjs n THR 11 N -3.78 0.33 -0.20 -1.06 -2.24 -1.26 -4.48 114.28 101.58 3kjs n THR 11 Ca -0.02 -0.26 0.13 0.00 -2.27 0.00 0.00 64.05 61.64 3kjs n THR 11 Cb 0.26 -0.01 0.44 0.00 -2.10 0.00 0.00 70.33 68.93 3kjs n THR 11 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3kjs h VAL 12 N 1.01 0.83 0.00 2.28 3.04 -1.71 -2.38 116.25 119.32 3kjs h VAL 12 Ca 0.00 -0.19 -0.26 0.00 -1.01 0.00 0.00 66.70 65.24 3kjs h VAL 12 Cb 0.37 0.23 -0.05 0.00 -2.01 0.00 0.00 31.29 29.84 3kjs h VAL 12 CO 0.03 0.10 -1.71 0.00 -1.01 0.00 0.00 177.57 174.97 3kjs n ALA 13 N -2.48 1.66 0.01 3.17 0.00 -1.26 -4.57 120.51 117.04 3kjs n ALA 13 Ca 0.15 -0.76 -0.12 0.00 0.00 0.00 0.00 53.44 52.71 3kjs n ALA 13 Cb 0.48 -0.80 -0.05 0.00 0.00 0.00 0.00 19.45 19.08 3kjs n ALA 13 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3kjs h GLU 14 N 0.00 -0.45 -7.20 0.00 4.11 -1.73 -2.91 114.58 106.40 3kjs h GLU 14 Ca -0.28 0.03 -0.48 0.00 0.07 0.00 0.00 59.36 58.70 3kjs h GLU 14 Cb 1.89 0.10 0.04 0.00 0.50 0.00 0.00 28.75 31.28 3kjs h GLU 14 CO 0.06 -0.30 0.38 0.20 0.07 0.00 0.00 179.01 179.42 3kjs s GLY 15 N -2.57 2.08 0.00 1.06 0.00 -1.24 -3.74 107.32 102.90 3kjs s GLY 15 Ca -0.15 0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.85 3kjs s GLY 15 CO 0.65 0.58 0.00 -1.30 0.00 0.00 0.00 173.10 173.03 3kjs n THR 16 N -1.88 0.00 -2.00 0.90 -2.24 -1.26 -4.95 114.28 102.85 3kjs n THR 16 Ca 0.08 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.44 3kjs n THR 16 Cb 0.53 -0.05 -0.03 0.00 -2.10 0.00 0.00 70.33 68.69 3kjs n THR 16 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3kjs s ARG 17 N -0.09 4.23 -0.15 -0.78 3.52 -1.10 -4.65 118.95 119.93 3kjs s ARG 17 Ca 0.00 2.26 -0.29 0.00 -0.13 0.00 0.00 55.73 57.57 3kjs s ARG 17 Cb 0.00 -3.42 -0.04 0.00 -1.56 0.00 0.00 34.95 29.93 3kjs s ARG 17 CO 0.00 -0.64 1.75 -1.17 -0.81 0.00 0.00 175.30 174.44 3kjs s LEU 18 N 1.96 4.00 -0.07 -0.88 2.96 -1.26 -4.89 118.68 120.49 3kjs s LEU 18 Ca 0.70 1.93 -0.26 0.00 -0.22 0.00 0.00 54.13 56.28 3kjs s LEU 18 Cb -0.39 -3.53 -0.24 0.00 0.50 0.00 0.00 46.19 42.53 3kjs s LEU 18 CO 0.31 -1.26 1.00 0.00 -1.32 0.00 0.00 176.35 175.09 3kjs h ALA 19 N 11.04 0.02 -3.73 5.97 0.00 -1.93 -3.46 119.26 127.16 3kjs h ALA 19 Ca -0.38 -0.42 -0.29 0.00 0.00 0.00 0.00 54.91 53.81 3kjs h ALA 19 Cb 1.18 0.01 -0.27 0.00 0.00 0.00 0.00 17.79 18.71 3kjs h ALA 19 CO 0.98 -0.02 -0.74 -0.51 0.00 0.00 0.00 179.25 178.95 3kjs s LEU 20 N -8.59 2.05 0.18 0.00 1.43 -1.26 -4.30 118.68 108.19 3kjs s LEU 20 Ca -0.17 -0.16 -0.26 0.00 -1.03 0.00 0.00 54.13 52.51 3kjs s LEU 20 Cb -0.00 -0.19 -0.08 0.00 0.03 0.00 0.00 46.19 45.95 3kjs s LEU 20 CO 0.71 -0.00 0.79 -0.60 0.23 0.00 0.00 176.35 177.48 3kjs s ARG 21 N -0.37 4.59 0.77 1.70 6.06 -0.40 -4.94 118.95 126.37 3kjs s ARG 21 Ca -0.01 1.19 -0.11 0.00 -2.50 0.00 0.00 55.73 54.30 3kjs s ARG 21 Cb -0.03 -3.25 0.06 0.00 0.06 0.00 0.00 34.95 31.78 3kjs s ARG 21 CO -0.00 0.56 1.11 0.00 -2.50 0.00 0.00 175.30 174.47 3kjs s ALA 22 N -1.16 2.19 0.17 6.12 0.00 -1.26 -4.85 121.76 122.97 3kjs s ALA 22 Ca 0.37 0.38 -0.17 0.00 0.00 0.00 0.00 51.96 52.54 3kjs s ALA 22 Cb -0.23 -3.31 0.03 0.00 0.00 0.00 0.00 23.12 19.61 3kjs s ALA 22 CO 0.27 -1.81 0.48 -0.59 0.00 0.00 0.00 175.76 174.11 3kjs s PHE 23 N -2.74 -0.12 0.28 0.00 -0.71 -0.70 -4.36 117.98 109.64 3kjs s PHE 23 Ca 0.63 -0.21 0.10 0.00 -1.04 0.00 0.00 56.93 56.41 3kjs s PHE 23 Cb -0.19 0.33 -0.05 0.00 -1.21 0.00 0.00 43.02 41.91 3kjs s PHE 23 CO 0.53 -0.84 -0.04 -1.12 -1.34 0.00 0.00 175.22 172.41 3kjs s SER 24 N -2.86 4.29 -0.06 1.98 0.01 0.93 -0.53 113.70 117.46 3kjs s SER 24 Ca 0.08 -0.79 0.06 0.00 1.31 0.00 0.00 55.95 56.61 3kjs s SER 24 Cb 0.00 -0.67 -0.01 0.00 0.21 0.00 0.00 66.02 65.55 3kjs s SER 24 CO -0.05 -0.05 -0.25 -0.22 0.41 0.00 0.00 173.24 173.08 3kjs s LEU 25 N -3.66 2.07 -0.05 2.44 0.20 -0.28 -0.01 118.68 119.40 3kjs s LEU 25 Ca 0.32 -0.51 0.05 0.00 0.69 0.00 0.00 54.13 54.67 3kjs s LEU 25 Cb -0.05 -1.37 -0.00 0.00 -0.43 0.00 0.00 46.19 44.34 3kjs s LEU 25 CO 0.19 0.23 -0.19 0.54 -0.29 0.00 0.00 176.35 176.83 3kjs s VAL 26 N -0.10 1.60 -0.04 1.68 0.11 -0.65 0.15 120.40 123.15 3kjs s VAL 26 Ca -0.05 -0.81 -0.20 0.00 -2.93 0.00 0.00 61.98 57.99 3kjs s VAL 26 Cb -0.14 -1.37 0.04 0.00 -1.53 0.00 0.00 36.38 33.38 3kjs s VAL 26 CO 0.04 0.45 0.45 0.54 -3.33 0.00 0.00 175.10 173.25 3kjs s VAL 27 N 0.01 0.03 -0.17 2.04 0.11 -0.24 -4.48 120.40 117.69 3kjs s VAL 27 Ca -0.04 -0.28 -0.01 0.00 -2.93 0.00 0.00 61.98 58.73 3kjs s VAL 27 Cb -0.12 -0.75 0.00 0.00 -1.53 0.00 0.00 36.38 33.98 3kjs s VAL 27 CO 0.03 -0.15 -0.14 0.00 -3.33 0.00 0.00 175.10 171.51 3kjs s ALA 28 N -1.14 2.54 0.24 1.54 0.00 -1.26 -0.82 121.76 122.87 3kjs s ALA 28 Ca -0.12 -1.10 0.11 0.00 0.00 0.00 0.00 51.96 50.86 3kjs s ALA 28 Cb -0.03 -1.32 -0.05 0.00 0.00 0.00 0.00 23.12 21.72 3kjs s ALA 28 CO 0.06 -0.17 -0.21 0.14 0.00 0.00 0.00 175.76 175.58 3kjs s VAL 29 N 1.03 2.36 0.13 0.00 -7.23 0.61 -4.57 120.40 112.72 3kjs s VAL 29 Ca -0.01 -2.27 -0.01 0.00 -1.81 0.00 0.00 61.98 57.88 3kjs s VAL 29 Cb -0.15 -2.21 0.03 0.00 0.56 0.00 0.00 36.38 34.61 3kjs s VAL 29 CO -0.03 -0.33 0.17 -0.90 -0.31 0.00 0.00 175.10 173.70 3kjs n ASP 30 N -0.31 0.15 0.04 4.85 5.68 -0.16 0.02 116.55 126.81 3kjs n ASP 30 Ca -0.08 -1.15 0.14 0.00 -0.50 0.00 0.00 54.79 53.20 3kjs n ASP 30 Cb 0.59 -0.12 0.52 0.00 -1.14 0.00 0.00 41.12 40.97 3kjs n ASP 30 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3kjs n GLU 31 N -1.33 0.09 -0.89 0.11 1.02 -1.10 -2.37 120.64 116.17 3kjs n GLU 31 Ca 0.03 0.07 0.07 0.00 -0.02 0.00 0.00 57.16 57.31 3kjs n GLU 31 Cb 0.09 -1.61 0.40 0.00 -0.02 0.00 0.00 31.44 30.31 3kjs n GLU 31 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3kjs n ARG 32 N -1.77 4.87 -0.98 3.49 5.12 -1.26 -4.92 116.66 121.20 3kjs n ARG 32 Ca 0.06 -3.12 0.00 0.00 -1.93 0.00 0.00 57.85 52.87 3kjs n ARG 32 Cb 0.37 -2.26 0.00 0.00 -1.16 0.00 0.00 32.46 29.41 3kjs n ARG 32 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kjs n GLY 33 N 0.62 0.29 3.76 -0.13 0.00 -1.00 -4.95 105.19 103.79 3kjs n GLY 33 Ca 0.27 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.00 3.05 -0.02 -0.02 0.00 -1.26 -0.28 107.32 106.79 3kjs s GLY 34 Ca 0.00 0.84 0.05 0.00 0.00 0.00 0.00 44.72 45.60 3kjs s GLY 34 CO 0.00 1.42 0.08 0.29 0.00 0.00 0.00 173.10 174.89 3kjs n ILE 35 N 1.14 0.10 0.00 0.90 -5.35 -0.02 -0.99 119.36 115.14 3kjs n ILE 35 Ca -0.01 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.34 3kjs n ILE 35 Cb 0.45 -0.02 0.00 0.00 -1.74 0.00 0.00 39.64 38.34 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 2.38 -0.14 1.10 3.28 0.00 -1.23 -4.66 105.19 105.91 3kjs n GLY 36 Ca -0.03 -0.92 0.11 0.00 0.00 0.00 0.00 46.02 45.18 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 3.21 0.00 1.61 5.68 -0.82 -1.66 116.55 124.57 3kjs n ASP 37 Ca 0.00 -1.97 0.00 0.00 -0.50 0.00 0.00 54.79 52.32 3kjs n ASP 37 Cb 0.00 -0.34 0.00 0.00 -1.14 0.00 0.00 41.12 39.64 3kjs n ASP 37 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kjs n GLY 38 N 1.46 2.04 0.77 6.12 0.00 -1.26 -4.67 105.19 109.64 3kjs n GLY 38 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.00 0.00 -4.20 1.61 1.74 -1.26 -5.05 116.66 107.50 3kjs n ARG 39 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 3kjs n ARG 39 Cb 0.00 -0.61 -0.09 0.00 -1.02 0.00 0.00 32.46 30.74 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 -4.74 0.43 -0.22 0.55 1.04 -1.26 -4.72 113.70 104.78 3kjs s SER 40 Ca 0.00 -1.43 -0.24 0.00 0.48 0.00 0.00 55.95 54.76 3kjs s SER 40 Cb 0.00 0.43 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 3kjs s SER 40 CO 0.00 -0.91 0.77 -0.63 0.98 0.00 0.00 173.24 173.45 3kjs s ILE 41 N -3.99 4.89 0.15 -1.02 1.01 -1.26 -1.95 121.20 119.02 3kjs s ILE 41 Ca 0.38 1.47 -0.12 0.00 0.00 0.00 0.00 60.65 62.38 3kjs s ILE 41 Cb 0.05 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.46 3kjs s ILE 41 CO 0.15 -0.02 1.57 -0.65 0.00 0.00 0.00 174.94 175.99 3kjs h PRO 42 N 7.62 0.89 -7.67 2.79 0.11 -1.94 -3.45 132.00 130.33 3kjs h PRO 42 Ca -0.26 -0.33 -0.46 0.00 0.11 0.00 0.00 66.00 65.06 3kjs h PRO 42 Cb 1.11 -0.06 0.12 0.00 0.11 0.00 0.00 31.00 32.28 3kjs h PRO 42 CO 0.84 0.97 0.41 1.67 -0.21 0.00 0.00 178.00 181.68 3kjs s TRP 43 N -4.85 2.55 -0.24 0.65 -2.14 -1.26 -5.09 118.94 108.56 3kjs s TRP 43 Ca -0.12 0.62 -0.03 0.00 2.66 0.00 0.00 56.10 59.22 3kjs s TRP 43 Cb 0.11 -3.68 0.08 0.00 -3.10 0.00 0.00 33.47 26.89 3kjs s TRP 43 CO 0.84 -2.03 0.09 1.21 -2.66 0.00 0.00 176.95 174.39 3kjs s ASN 44 N -4.67 3.26 -0.32 -2.66 2.47 -1.26 -5.09 114.94 106.67 3kjs s ASN 44 Ca 0.65 -1.11 -0.02 0.00 0.42 0.00 0.00 52.86 52.80 3kjs s ASN 44 Cb -0.09 -0.53 0.12 0.00 -1.45 0.00 0.00 41.25 39.29 3kjs s ASN 44 CO 0.50 -0.38 0.16 -0.69 -3.72 0.00 0.00 177.10 172.97 3kjs s VAL 45 N 1.91 0.18 0.30 -5.21 1.01 -1.26 -4.83 120.40 112.51 3kjs s VAL 45 Ca 0.05 -1.25 0.02 0.00 0.00 0.00 0.00 61.98 60.79 3kjs s VAL 45 Cb -0.17 -1.16 0.29 0.00 0.00 0.00 0.00 36.38 35.34 3kjs s VAL 45 CO -0.20 -0.82 1.88 -0.65 0.00 0.00 0.00 175.10 175.31 3kjs h PRO 46 N 7.80 0.96 0.00 2.72 0.11 -1.99 -2.13 132.00 139.48 3kjs h PRO 46 Ca -0.09 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.95 3kjs h PRO 46 Cb 0.99 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.88 3kjs h PRO 46 CO 0.38 0.64 -0.07 0.93 -0.21 0.00 0.00 178.00 179.67 3kjs h GLU 47 N 0.99 0.00 0.01 1.05 3.07 -1.95 -0.25 114.58 117.50 3kjs h GLU 47 Ca 0.43 0.00 -0.25 0.00 -0.50 0.00 0.00 59.36 59.04 3kjs h GLU 47 Cb 0.33 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.26 3kjs h GLU 47 CO -0.19 0.07 -1.00 0.22 -1.40 0.00 0.00 179.01 176.71 3kjs h ASP 48 N 0.00 0.70 -0.73 1.42 3.58 -1.82 -2.27 116.42 117.31 3kjs h ASP 48 Ca -0.00 -0.57 0.03 0.00 0.42 0.00 0.00 57.03 56.91 3kjs h ASP 48 Cb 0.13 -0.22 -0.05 0.00 1.72 0.00 0.00 39.33 40.92 3kjs h ASP 48 CO 0.01 1.37 0.46 0.24 -2.88 0.00 0.00 179.24 178.43 3kjs h MET 49 N 0.30 0.86 -0.24 0.28 2.86 -1.03 0.18 114.93 118.14 3kjs h MET 49 Ca -0.11 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.43 3kjs h MET 49 Cb 1.65 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 33.10 3kjs h MET 49 CO 0.18 0.57 -0.04 -0.22 1.06 0.00 0.00 176.91 178.47 3kjs h LYS 50 N 0.89 0.45 -0.47 1.72 3.64 -1.15 -0.65 116.57 121.00 3kjs h LYS 50 Ca 0.29 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3kjs h LYS 50 Cb 0.02 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 3kjs h LYS 50 CO -0.11 0.66 0.24 0.35 -2.27 0.00 0.00 179.45 178.32 3kjs h PHE 51 N 0.20 0.66 -0.31 1.91 3.57 -1.18 0.68 116.94 122.47 3kjs h PHE 51 Ca 0.06 -0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.57 3kjs h PHE 51 Cb 0.49 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 3kjs h PHE 51 CO 0.05 0.52 0.13 0.35 -2.23 0.00 0.00 178.31 177.12 3kjs h PHE 52 N 0.62 0.24 0.01 0.41 3.57 -0.57 0.60 116.94 121.81 3kjs h PHE 52 Ca 0.16 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.69 3kjs h PHE 52 Cb 0.09 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 3kjs h PHE 52 CO -0.01 0.12 -0.07 -0.09 -2.23 0.00 0.00 178.31 176.02 3kjs h ARG 53 N 0.28 -0.12 -0.08 1.11 2.43 -0.88 -2.32 114.38 114.80 3kjs h ARG 53 Ca 0.13 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3kjs h ARG 53 Cb 0.08 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3kjs h ARG 53 CO -0.12 -0.08 0.03 -0.44 -1.51 0.00 0.00 179.97 177.85 3kjs h ASP 54 N -0.13 0.10 0.46 -3.80 3.32 -0.52 0.40 116.42 116.25 3kjs h ASP 54 Ca 0.03 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 56.85 3kjs h ASP 54 Cb 0.16 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3kjs h ASP 54 CO -0.07 0.22 -0.38 1.62 -1.72 0.00 0.00 179.24 178.91 3kjs h VAL 55 N -0.02 1.18 0.03 -1.35 3.04 -0.91 -0.57 116.25 117.64 3kjs h VAL 55 Ca 0.03 -1.35 -0.27 0.00 -1.01 0.00 0.00 66.70 64.10 3kjs h VAL 55 Cb 0.15 1.74 -0.03 0.00 -2.01 0.00 0.00 31.29 31.14 3kjs h VAL 55 CO -0.00 0.37 -1.47 0.71 -1.01 0.00 0.00 177.57 176.17 3kjs h THR 56 N 0.00 1.17 0.08 3.17 1.35 -1.27 -3.38 112.91 114.02 3kjs h THR 56 Ca -0.00 -2.92 -0.15 0.00 -0.55 0.00 0.00 66.41 62.78 3kjs h THR 56 Cb 0.71 2.63 0.01 0.00 -1.73 0.00 0.00 68.15 69.77 3kjs h THR 56 CO 0.05 0.73 -0.71 0.74 -0.25 0.00 0.00 175.52 176.08 3kjs h THR 57 N 0.02 1.47 -3.96 6.82 2.02 -0.77 -3.43 112.91 115.08 3kjs h THR 57 Ca -0.20 -2.43 -0.51 0.00 0.77 0.00 0.00 66.41 64.03 3kjs h THR 57 Cb 1.94 3.11 0.07 0.00 -1.74 0.00 0.00 68.15 71.53 3kjs h THR 57 CO 0.11 0.65 0.53 -0.54 0.37 0.00 0.00 175.52 176.65 3kjs s LYS 58 N -2.37 3.91 0.29 6.66 1.02 -0.24 -4.61 119.74 124.40 3kjs s LYS 58 Ca -0.17 1.93 0.07 0.00 0.02 0.00 0.00 55.97 57.81 3kjs s LYS 58 Cb 0.01 -2.61 -0.03 0.00 -0.52 0.00 0.00 37.83 34.68 3kjs s LYS 58 CO 0.76 -0.47 0.31 -0.51 -0.92 0.00 0.00 175.35 174.52 3kjs s LEU 59 N -2.66 3.87 0.71 3.17 1.43 -1.26 -4.92 118.68 119.03 3kjs s LEU 59 Ca 0.59 -0.25 -0.14 0.00 -1.03 0.00 0.00 54.13 53.30 3kjs s LEU 59 Cb -0.33 -2.48 0.03 0.00 0.03 0.00 0.00 46.19 43.44 3kjs s LEU 59 CO 0.41 -0.21 1.12 -0.13 0.23 0.00 0.00 176.35 177.77 3kjs s ARG 60 N -3.98 2.47 0.31 1.70 0.52 -1.26 -4.78 118.95 113.92 3kjs s ARG 60 Ca 0.38 1.40 0.00 0.00 -0.52 0.00 0.00 55.73 56.99 3kjs s ARG 60 Cb -0.08 -1.91 0.00 0.00 0.52 0.00 0.00 34.95 33.48 3kjs s ARG 60 CO 0.27 -1.51 0.00 0.41 0.02 0.00 0.00 175.30 174.49 3kjs n GLY 61 N -0.51 -2.38 0.00 -3.53 0.00 -1.26 -4.84 105.19 92.66 3kjs n GLY 61 Ca 0.11 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.32 3kjs n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kjs n LYS 62 N -0.15 0.00 -1.91 1.61 5.02 -1.26 -4.66 118.16 116.82 3kjs n LYS 62 Ca 0.00 0.08 -0.43 0.00 -2.02 0.00 0.00 58.31 55.95 3kjs n LYS 62 Cb 0.00 -0.56 -0.03 0.00 -0.02 0.00 0.00 35.03 34.42 3kjs n LYS 62 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3kjs s ASN 63 N -1.36 6.12 0.00 4.39 2.47 -1.26 -4.91 114.94 120.39 3kjs s ASN 63 Ca 0.00 1.82 0.00 0.00 0.42 0.00 0.00 52.86 55.10 3kjs s ASN 63 Cb 0.00 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.27 3kjs s ASN 63 CO 0.00 -1.44 0.14 0.52 -3.72 0.00 0.00 177.10 172.60 3kjs n VAL 64 N 6.70 0.00 -3.47 -5.21 0.31 -1.26 -4.98 118.33 110.41 3kjs n VAL 64 Ca 0.22 0.38 -0.36 0.00 -0.01 0.00 0.00 64.34 64.56 3kjs n VAL 64 Cb 0.45 -0.85 0.04 0.00 -0.91 0.00 0.00 33.84 32.56 3kjs n VAL 64 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3kjs n LYS 65 N -0.98 -1.95 -1.91 5.55 5.02 -1.26 -4.88 118.16 117.75 3kjs n LYS 65 Ca 0.00 1.45 -0.38 0.00 -2.02 0.00 0.00 58.31 57.36 3kjs n LYS 65 Cb 0.00 -2.33 0.02 0.00 -0.02 0.00 0.00 35.03 32.70 3kjs n LYS 65 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3kjs s PRO 66 N -2.57 3.44 0.20 1.97 0.02 -1.26 -4.97 135.00 131.83 3kjs s PRO 66 Ca 0.36 2.16 -0.13 0.00 0.02 0.00 0.00 61.00 63.41 3kjs s PRO 66 Cb -0.04 -2.41 0.01 0.00 0.02 0.00 0.00 34.50 32.08 3kjs s PRO 66 CO 0.87 -0.92 0.42 -1.54 -0.33 0.00 0.00 177.00 175.50 3kjs s SER 67 N -0.94 -0.10 0.51 2.53 1.04 -0.04 -5.01 113.70 111.69 3kjs s SER 67 Ca 0.67 -0.74 0.31 0.00 0.48 0.00 0.00 55.95 56.67 3kjs s SER 67 Cb -0.38 0.53 1.44 0.00 0.10 0.00 0.00 66.02 67.70 3kjs s SER 67 CO 0.47 -1.02 1.82 -0.65 0.98 0.00 0.00 173.24 174.84 3kjs h PRO 68 N 2.34 0.08 -0.11 4.02 0.10 -1.96 -1.39 132.00 135.09 3kjs h PRO 68 Ca -0.29 -0.01 -0.21 0.00 0.10 0.00 0.00 66.00 65.59 3kjs h PRO 68 Cb 1.25 -0.02 0.00 0.00 0.10 0.00 0.00 31.00 32.33 3kjs h PRO 68 CO 0.41 0.06 -0.78 0.00 0.10 0.00 0.00 178.00 177.78 3kjs h ALA 69 N 1.49 0.41 -2.58 -0.75 0.00 -1.96 -3.45 119.26 112.43 3kjs h ALA 69 Ca 0.53 -0.61 -0.26 0.00 0.00 0.00 0.00 54.91 54.57 3kjs h ALA 69 Cb 1.95 -0.03 -0.34 0.00 0.00 0.00 0.00 17.79 19.38 3kjs h ALA 69 CO -0.07 0.72 -0.58 0.21 0.00 0.00 0.00 179.25 179.54 3kjs s LYS 70 N -3.65 0.19 0.14 0.00 2.47 -0.53 -4.55 119.74 113.81 3kjs s LYS 70 Ca -0.08 0.44 -0.25 0.00 -1.56 0.00 0.00 55.97 54.52 3kjs s LYS 70 Cb 0.09 -0.68 0.07 0.00 -1.46 0.00 0.00 37.83 35.85 3kjs s LYS 70 CO 0.88 -0.51 0.78 -0.98 0.16 0.00 0.00 175.35 175.68 3kjs s ARG 71 N 2.38 1.24 0.56 4.03 1.70 -0.99 -0.86 118.95 127.01 3kjs s ARG 71 Ca 0.06 -0.57 -0.04 0.00 -0.47 0.00 0.00 55.73 54.70 3kjs s ARG 71 Cb -0.14 0.50 0.01 0.00 -0.57 0.00 0.00 34.95 34.74 3kjs s ARG 71 CO -0.11 -0.56 0.84 -0.80 -1.08 0.00 0.00 175.30 173.60 3kjs s ASN 72 N -2.75 5.63 0.01 -2.89 0.01 -1.26 -1.02 114.94 112.66 3kjs s ASN 72 Ca 0.07 0.59 0.07 0.00 -0.71 0.00 0.00 52.86 52.88 3kjs s ASN 72 Cb -0.02 -1.64 -0.02 0.00 0.41 0.00 0.00 41.25 39.98 3kjs s ASN 72 CO -0.04 -0.99 -0.23 0.00 -1.51 0.00 0.00 177.10 174.33 3kjs s ALA 73 N -2.89 1.91 -0.13 0.60 0.00 -0.28 -1.47 121.76 119.50 3kjs s ALA 73 Ca 0.53 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.43 3kjs s ALA 73 Cb -0.10 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 3kjs s ALA 73 CO 0.43 0.46 -0.07 0.14 0.00 0.00 0.00 175.76 176.71 3kjs s VAL 74 N -0.65 3.58 -0.19 0.00 -7.23 0.59 0.46 120.40 116.96 3kjs s VAL 74 Ca 0.09 -0.48 -0.03 0.00 -1.81 0.00 0.00 61.98 59.75 3kjs s VAL 74 Cb -0.09 -2.53 -0.01 0.00 0.56 0.00 0.00 36.38 34.31 3kjs s VAL 74 CO 0.00 0.52 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.56 3kjs s VAL 75 N 0.12 3.38 0.04 1.32 1.01 0.86 -0.52 120.40 126.61 3kjs s VAL 75 Ca -0.03 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.45 3kjs s VAL 75 Cb -0.14 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 3kjs s VAL 75 CO 0.03 0.46 -0.06 0.00 0.00 0.00 0.00 175.10 175.54 3kjs s MET 76 N 1.01 0.50 0.66 2.72 0.23 0.29 -1.46 119.30 123.25 3kjs s MET 76 Ca -0.00 -0.83 -0.13 0.00 -1.03 0.00 0.00 55.69 53.70 3kjs s MET 76 Cb -0.15 -0.10 -0.01 0.00 -1.53 0.00 0.00 34.83 33.05 3kjs s MET 76 CO -0.00 -0.01 1.06 0.20 -2.03 0.00 0.00 175.02 174.25 3kjs s GLY 77 N -1.86 1.88 0.35 3.16 0.00 -0.31 -0.29 107.32 110.25 3kjs s GLY 77 Ca -0.08 0.25 0.08 0.00 0.00 0.00 0.00 44.72 44.97 3kjs s GLY 77 CO -0.02 0.56 1.89 -0.09 0.00 0.00 0.00 173.10 175.45 3kjs h ARG 78 N -0.25 0.71 -0.22 2.90 2.43 -1.57 -2.05 114.38 116.34 3kjs h ARG 78 Ca -0.45 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 58.57 3kjs h ARG 78 Cb 1.22 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 3kjs h ARG 78 CO 0.56 0.47 -0.30 0.87 -1.51 0.00 0.00 179.97 180.06 3kjs h LYS 79 N 0.73 0.44 -0.46 0.20 1.57 -1.93 0.01 116.57 117.13 3kjs h LYS 79 Ca 0.41 -0.18 -0.12 0.00 -1.87 0.00 0.00 60.65 58.89 3kjs h LYS 79 Cb 0.57 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 3kjs h LYS 79 CO -0.18 0.70 -0.20 1.15 -0.57 0.00 0.00 179.45 180.35 3kjs h THR 80 N 0.38 1.27 -0.27 -0.16 2.02 -1.72 -1.57 112.91 112.87 3kjs h THR 80 Ca 0.05 -1.36 0.02 0.00 0.77 0.00 0.00 66.41 65.90 3kjs h THR 80 Cb 0.72 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 68.27 3kjs h THR 80 CO 0.06 0.46 0.11 -0.25 0.37 0.00 0.00 175.52 176.27 3kjs h TRP 81 N 0.79 0.20 -0.33 3.16 2.91 -0.93 -2.24 115.95 119.51 3kjs h TRP 81 Ca 0.10 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.14 3kjs h TRP 81 Cb 0.77 -0.05 -0.02 0.00 -0.51 0.00 0.00 29.16 29.36 3kjs h TRP 81 CO 0.05 0.10 0.20 -0.44 -1.03 0.00 0.00 178.44 177.32 3kjs h ASP 82 N 0.24 0.39 1.06 2.65 3.32 -0.93 -2.36 116.42 120.79 3kjs h ASP 82 Ca 0.12 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3kjs h ASP 82 Cb 0.07 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.52 3kjs h ASP 82 CO -0.11 0.30 0.00 -1.54 -1.72 0.00 0.00 179.24 176.18 3kjs n SER 83 N -4.47 0.49 -4.66 6.45 3.41 -0.60 -4.59 113.62 109.65 3kjs n SER 83 Ca 0.02 0.57 -0.41 0.00 -0.26 0.00 0.00 58.87 58.79 3kjs n SER 83 Cb 0.08 -0.69 -0.05 0.00 -0.26 0.00 0.00 64.21 63.29 3kjs n SER 83 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3kjs s ILE 84 N -3.12 4.95 0.27 -1.33 1.01 -0.89 -5.02 121.20 117.07 3kjs s ILE 84 Ca 0.09 1.42 -0.30 0.00 0.00 0.00 0.00 60.65 61.86 3kjs s ILE 84 Cb 0.13 -4.05 -0.13 0.00 0.01 0.00 0.00 42.46 38.42 3kjs s ILE 84 CO 0.49 0.06 1.33 -2.65 0.00 0.00 0.00 174.94 174.17 3kjs n PRO 85 N 5.15 1.95 -0.21 2.79 -0.02 -1.26 -4.81 135.00 138.60 3kjs n PRO 85 Ca 0.02 0.69 0.25 0.00 -2.02 0.00 0.00 63.50 62.44 3kjs n PRO 85 Cb 0.49 -2.29 0.64 0.00 -0.02 0.00 0.00 33.50 32.32 3kjs n PRO 85 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3kjs h PRO 86 N 3.51 0.15 -0.33 0.52 0.11 -1.91 0.27 132.00 134.32 3kjs h PRO 86 Ca -0.45 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 3kjs h PRO 86 Cb 1.29 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 3kjs h PRO 86 CO 0.70 0.10 0.12 -0.22 -0.21 0.00 0.00 178.00 178.49 3kjs h LYS 87 N 0.16 0.46 -0.02 1.05 3.64 -1.89 -3.02 116.57 116.95 3kjs h LYS 87 Ca 0.45 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 3kjs h LYS 87 Cb 1.51 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 3kjs h LYS 87 CO -0.08 0.40 -0.14 1.19 -2.27 0.00 0.00 179.45 178.55 3kjs n PHE 88 N -4.39 0.00 -4.31 1.91 3.72 0.94 -4.92 117.46 110.41 3kjs n PHE 88 Ca 0.02 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.10 3kjs n PHE 88 Cb 0.15 -0.02 -0.09 0.00 -0.94 0.00 0.00 39.48 38.57 3kjs n PHE 88 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 3kjs s ARG 89 N -2.19 2.53 0.63 -1.08 1.70 -1.14 -3.74 118.95 115.65 3kjs s ARG 89 Ca 0.29 -0.78 -0.15 0.00 -0.47 0.00 0.00 55.73 54.61 3kjs s ARG 89 Cb 0.20 -2.51 -0.02 0.00 -0.57 0.00 0.00 34.95 32.05 3kjs s ARG 89 CO 0.41 0.58 1.09 -1.25 -1.08 0.00 0.00 175.30 175.04 3kjs s PRO 90 N -1.79 3.02 0.03 3.89 0.04 -1.26 -4.95 135.00 133.98 3kjs s PRO 90 Ca 0.20 1.33 -0.30 0.00 0.04 0.00 0.00 61.00 62.27 3kjs s PRO 90 Cb -0.11 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.36 3kjs s PRO 90 CO 0.12 -1.07 1.83 -0.51 0.04 0.00 0.00 177.00 177.40 3kjs s LEU 91 N -4.68 4.39 0.48 -3.56 1.43 -1.25 -4.92 118.68 110.58 3kjs s LEU 91 Ca 0.66 2.54 -0.23 0.00 -1.03 0.00 0.00 54.13 56.07 3kjs s LEU 91 Cb -0.19 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.42 3kjs s LEU 91 CO 0.39 -0.99 1.32 -2.84 0.23 0.00 0.00 176.35 174.46 3kjs s PRO 92 N 3.90 3.52 0.00 1.29 0.02 -1.26 -3.54 135.00 138.93 3kjs s PRO 92 Ca 0.82 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.99 3kjs s PRO 92 Cb -0.40 -2.46 0.00 0.00 0.02 0.00 0.00 34.50 31.66 3kjs s PRO 92 CO 0.36 -0.86 0.00 0.41 -0.33 0.00 0.00 177.00 176.59 3kjs n GLY 93 N 0.63 1.43 3.08 0.52 0.00 -1.26 -4.94 105.19 104.65 3kjs n GLY 93 Ca 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.01 3kjs n GLY 93 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kjs s ARG 94 N -0.12 0.54 -0.06 1.61 3.03 -1.23 -4.48 118.95 118.24 3kjs s ARG 94 Ca 0.00 -0.88 -0.30 0.00 2.03 0.00 0.00 55.73 56.58 3kjs s ARG 94 Cb 0.00 0.20 -0.05 0.00 -1.03 0.00 0.00 34.95 34.07 3kjs s ARG 94 CO 0.00 -0.12 1.51 -1.17 -1.13 0.00 0.00 175.30 174.40 3kjs s LEU 95 N -2.25 4.29 -0.37 -1.89 2.96 -0.55 -4.79 118.68 116.09 3kjs s LEU 95 Ca -0.03 2.11 -0.18 0.00 -0.22 0.00 0.00 54.13 55.80 3kjs s LEU 95 Cb -0.00 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.15 3kjs s LEU 95 CO -0.06 -0.84 0.52 0.20 -1.32 0.00 0.00 176.35 174.86 3kjs s ASN 96 N 2.65 6.31 -0.28 3.68 0.02 -0.54 -0.30 114.94 126.49 3kjs s ASN 96 Ca 0.67 -0.11 -0.05 0.00 -1.02 0.00 0.00 52.86 52.35 3kjs s ASN 96 Cb -0.31 -2.27 0.01 0.00 0.02 0.00 0.00 41.25 38.70 3kjs s ASN 96 CO 0.26 -0.52 0.03 -0.69 0.02 0.00 0.00 177.10 176.19 3kjs s VAL 97 N 2.42 3.60 -0.18 1.60 1.01 0.32 -1.01 120.40 128.17 3kjs s VAL 97 Ca 0.19 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 3kjs s VAL 97 Cb -0.15 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 3kjs s VAL 97 CO 0.14 0.14 -0.03 -0.69 0.00 0.00 0.00 175.10 174.66 3kjs s VAL 98 N 1.45 3.75 -0.18 2.92 1.01 -0.73 -0.55 120.40 128.08 3kjs s VAL 98 Ca 0.02 -0.39 -0.22 0.00 0.00 0.00 0.00 61.98 61.39 3kjs s VAL 98 Cb -0.17 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 3kjs s VAL 98 CO 0.00 0.46 0.66 -0.76 0.00 0.00 0.00 175.10 175.46 3kjs s LEU 99 N 0.76 4.17 -0.19 3.92 1.43 0.60 -0.83 118.68 128.54 3kjs s LEU 99 Ca -0.01 0.92 -0.28 0.00 -1.03 0.00 0.00 54.13 53.73 3kjs s LEU 99 Cb -0.14 -2.95 0.09 0.00 0.03 0.00 0.00 46.19 43.21 3kjs s LEU 99 CO 0.02 -0.26 0.81 -0.55 0.23 0.00 0.00 176.35 176.60 3kjs s SER 100 N 1.12 -0.61 0.07 2.29 0.15 -0.62 -1.35 113.70 114.76 3kjs s SER 100 Ca 0.31 0.96 0.24 0.00 0.70 0.00 0.00 55.95 58.16 3kjs s SER 100 Cb -0.16 0.90 0.36 0.00 -1.71 0.00 0.00 66.02 65.41 3kjs s SER 100 CO 0.11 -0.35 1.31 -1.54 1.20 0.00 0.00 173.24 173.97 3kjs n SER 101 N 1.77 0.61 -0.02 5.45 3.41 -1.26 -3.67 113.62 119.92 3kjs n SER 101 Ca -0.15 -0.04 -0.03 0.00 -0.26 0.00 0.00 58.87 58.39 3kjs n SER 101 Cb 0.56 0.29 -0.02 0.00 -0.26 0.00 0.00 64.21 64.77 3kjs n SER 101 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kjs n THR 102 N -1.89 0.26 -2.65 6.66 -2.24 -1.26 -5.01 114.28 108.15 3kjs n THR 102 Ca 0.04 -0.12 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 3kjs n THR 102 Cb 0.41 -0.76 -0.03 0.00 -2.10 0.00 0.00 70.33 67.85 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 -4.87 4.24 0.38 3.22 2.01 -1.26 -5.04 118.68 117.36 3kjs s LEU 103 Ca -0.05 1.56 0.01 0.00 0.01 0.00 0.00 54.13 55.67 3kjs s LEU 103 Cb 0.01 -3.56 -0.02 0.00 0.01 0.00 0.00 46.19 42.64 3kjs s LEU 103 CO 0.13 -0.49 0.58 0.42 1.01 0.00 0.00 176.35 178.00 3kjs s THR 104 N 2.13 4.54 0.53 5.49 -4.23 -1.26 -4.74 115.64 118.09 3kjs s THR 104 Ca 0.49 -0.57 0.25 0.00 -1.18 0.00 0.00 61.69 60.68 3kjs s THR 104 Cb -0.19 -3.65 0.31 0.00 1.34 0.00 0.00 72.50 70.31 3kjs s THR 104 CO 0.18 -0.41 2.17 0.00 -0.54 0.00 0.00 174.62 176.02 3kjs h THR 105 N 0.65 0.69 0.20 3.99 1.03 -1.94 -1.95 112.91 115.58 3kjs h THR 105 Ca -0.48 -0.19 -0.31 0.00 -0.01 0.00 0.00 66.41 65.42 3kjs h THR 105 Cb 1.24 1.11 0.02 0.00 -1.07 0.00 0.00 68.15 69.45 3kjs h THR 105 CO 0.59 0.05 -1.43 -0.61 -0.01 0.00 0.00 175.52 174.10 3kjs h GLN 106 N 0.00 0.43 0.00 0.00 5.75 -1.95 -2.81 115.11 116.53 3kjs h GLN 106 Ca -0.00 -0.74 -0.04 0.00 -0.15 0.00 0.00 58.65 57.72 3kjs h GLN 106 Cb 0.11 0.28 -0.01 0.00 1.07 0.00 0.00 27.48 28.93 3kjs h GLN 106 CO 0.01 1.35 -0.18 0.45 -2.65 0.00 0.00 178.83 177.81 3kjs h HIS 107 N -0.00 0.00 0.07 3.99 3.86 -1.80 -1.27 115.15 119.99 3kjs h HIS 107 Ca -0.27 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.69 3kjs h HIS 107 Cb 2.02 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.48 3kjs h HIS 107 CO 0.13 0.18 -1.18 -0.07 0.86 0.00 0.00 177.93 177.85 3kjs h LEU 108 N 0.00 0.24 0.00 2.43 3.38 -1.50 -3.29 115.31 116.57 3kjs h LEU 108 Ca -0.00 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3kjs h LEU 108 Cb 0.33 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3kjs h LEU 108 CO 0.02 1.21 0.00 -0.11 0.09 0.00 0.00 178.44 179.65 3kjs n LEU 109 N -3.44 0.00 -4.57 1.67 7.94 -0.58 -4.56 117.00 113.46 3kjs n LEU 109 Ca -0.06 0.42 -0.35 0.00 -1.11 0.00 0.00 56.01 54.91 3kjs n LEU 109 Cb 0.99 -0.42 -0.11 0.00 0.53 0.00 0.00 43.42 44.42 3kjs n LEU 109 CO 0.51 -0.14 -0.28 -1.81 -1.11 0.00 0.00 177.39 174.55 3kjs s ASP 110 N -2.84 5.35 0.00 1.96 1.01 -0.60 -4.87 116.67 116.69 3kjs s ASP 110 Ca 0.13 -0.02 0.00 0.00 0.71 0.00 0.00 52.55 53.37 3kjs s ASP 110 Cb 0.13 -1.92 0.00 0.00 1.01 0.00 0.00 42.92 42.14 3kjs s ASP 110 CO 0.33 0.13 0.00 0.61 0.21 0.00 0.00 175.17 176.45 3kjs n GLY 111 N 3.80 0.77 1.12 0.21 0.00 -1.26 -4.93 105.19 104.90 3kjs n GLY 111 Ca -0.17 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3kjs n GLY 111 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kjs n LEU 112 N 0.00 0.64 -4.15 0.99 4.77 -1.26 -4.99 117.00 113.01 3kjs n LEU 112 Ca 0.00 0.11 -0.33 0.00 -0.03 0.00 0.00 56.01 55.76 3kjs n LEU 112 Cb 0.00 -0.17 -0.16 0.00 -2.33 0.00 0.00 43.42 40.75 3kjs n LEU 112 CO 0.00 -0.67 -0.53 -2.16 -1.33 0.00 0.00 177.39 172.70 3kjs s PRO 113 N -1.64 3.02 0.00 3.23 0.04 -1.26 -4.51 135.00 133.88 3kjs s PRO 113 Ca 0.00 -0.83 0.00 0.00 0.04 0.00 0.00 61.00 60.21 3kjs s PRO 113 Cb 0.00 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 32.01 3kjs s PRO 113 CO 0.00 -0.12 0.00 -3.47 0.04 0.00 0.00 177.00 173.45 3kjs n ASP 114 N 4.37 0.00 0.00 6.66 2.03 -1.26 -5.22 116.55 123.13 3kjs n ASP 114 Ca -0.20 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.11 3kjs n ASP 114 Cb 0.51 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 3kjs n ASP 114 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 3kjs n HIS 121 N 0.00 0.00 -0.09 -0.67 -0.00 -1.26 -5.20 115.22 108.01 3kjs n HIS 121 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3kjs n HIS 121 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 3kjs n HIS 121 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3kjs n ALA 122 N -3.00 0.73 -2.35 -1.41 0.00 -1.26 -4.03 120.51 109.19 3kjs n ALA 122 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 3kjs n ALA 122 Cb 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 17.68 3kjs n ALA 122 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3kjs n ASP 123 N 3.76 -5.50 -0.52 0.00 -0.08 -1.26 -4.95 116.55 108.01 3kjs n ASP 123 Ca 0.00 0.17 0.08 0.00 -1.51 0.00 0.00 54.79 53.53 3kjs n ASP 123 Cb 0.00 -3.59 0.20 0.00 2.34 0.00 0.00 41.12 40.07 3kjs n ASP 123 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 3kjs n SER 124 N -0.82 2.93 -3.80 1.67 3.41 -1.26 -4.93 113.62 110.82 3kjs n SER 124 Ca 0.04 -3.17 -0.13 0.00 -0.26 0.00 0.00 58.87 55.36 3kjs n SER 124 Cb 0.37 -0.50 -0.13 0.00 -0.26 0.00 0.00 64.21 63.69 3kjs n SER 124 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 3kjs s ILE 125 N -2.91 -0.01 -0.02 -1.33 2.07 -1.26 -1.46 121.20 116.27 3kjs s ILE 125 Ca 0.37 0.04 -0.02 0.00 -1.41 0.00 0.00 60.65 59.64 3kjs s ILE 125 Cb 0.32 -0.24 0.01 0.00 0.13 0.00 0.00 42.46 42.68 3kjs s ILE 125 CO 0.04 0.02 0.05 0.54 -1.91 0.00 0.00 174.94 173.68 3kjs s VAL 126 N 0.33 -0.00 0.09 4.00 0.11 -0.18 -4.97 120.40 119.78 3kjs s VAL 126 Ca -0.02 0.02 -0.05 0.00 -2.93 0.00 0.00 61.98 59.00 3kjs s VAL 126 Cb -0.03 -0.08 -0.05 0.00 -1.53 0.00 0.00 36.38 34.69 3kjs s VAL 126 CO -0.01 0.01 0.33 0.00 -3.33 0.00 0.00 175.10 172.09 3kjs s ALA 127 N 0.12 3.83 -0.11 1.54 0.00 -1.26 -1.77 121.76 124.11 3kjs s ALA 127 Ca -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 51.96 51.36 3kjs s ALA 127 Cb -0.01 -2.08 0.02 0.00 0.00 0.00 0.00 23.12 21.05 3kjs s ALA 127 CO -0.00 0.68 -0.09 0.08 0.00 0.00 0.00 175.76 176.43 3kjs s VAL 128 N -1.53 1.10 -1.22 0.00 1.01 -0.01 -4.76 120.40 114.98 3kjs s VAL 128 Ca 0.36 -0.36 -0.19 0.00 0.00 0.00 0.00 61.98 61.80 3kjs s VAL 128 Cb -0.13 -1.09 0.07 0.00 0.00 0.00 0.00 36.38 35.24 3kjs s VAL 128 CO 0.23 0.37 1.65 0.21 0.00 0.00 0.00 175.10 177.56 3kjs s ASN 129 N 1.50 6.76 0.00 3.32 2.47 -1.24 -1.60 114.94 126.16 3kjs s ASN 129 Ca 0.02 -2.22 0.00 0.00 0.42 0.00 0.00 52.86 51.07 3kjs s ASN 129 Cb -0.13 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.10 3kjs s ASN 129 CO -0.06 -1.23 0.00 0.61 -3.72 0.00 0.00 177.10 172.69 3kjs n GLY 130 N 5.71 -1.06 0.00 1.21 0.00 -1.26 -4.99 105.19 104.80 3kjs n GLY 130 Ca 0.44 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 1.29 0.36 -0.02 0.00 -1.26 -4.28 105.19 101.27 3kjs n GLY 131 Ca 0.00 -1.98 0.04 0.00 0.00 0.00 0.00 46.02 44.08 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 0.94 -0.57 0.99 5.85 -1.94 -1.76 115.31 118.81 3kjs h LEU 132 Ca 0.00 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.82 3kjs h LEU 132 Cb 0.00 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 3kjs h LEU 132 CO 0.00 0.56 0.26 -0.08 -0.34 0.00 0.00 178.44 178.83 3kjs h GLU 133 N 1.05 0.47 -0.47 1.25 4.81 -1.94 0.87 114.58 120.62 3kjs h GLU 133 Ca 0.45 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.58 3kjs h GLU 133 Cb 0.32 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 3kjs h GLU 133 CO -0.22 0.31 -0.00 1.96 -0.73 0.00 0.00 179.01 180.33 3kjs h GLN 134 N 0.48 0.78 -0.38 1.92 7.50 -1.69 -0.84 115.11 122.87 3kjs h GLN 134 Ca 0.27 -0.21 -0.06 0.00 0.50 0.00 0.00 58.65 59.16 3kjs h GLN 134 Cb 0.26 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 27.68 3kjs h GLN 134 CO -0.23 0.79 0.02 0.00 -1.50 0.00 0.00 178.83 177.91 3kjs h ALA 135 N 1.27 0.51 -0.05 3.87 0.00 -0.70 -1.30 119.26 122.87 3kjs h ALA 135 Ca 0.14 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 3kjs h ALA 135 Cb 0.45 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3kjs h ALA 135 CO 0.02 0.27 -0.39 -0.07 0.00 0.00 0.00 179.25 179.08 3kjs h LEU 136 N 0.49 0.10 -0.19 0.00 3.38 -0.68 0.30 115.31 118.71 3kjs h LEU 136 Ca 0.11 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3kjs h LEU 136 Cb 0.43 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3kjs h LEU 136 CO 0.02 0.48 -0.02 -0.61 0.09 0.00 0.00 178.44 178.40 3kjs h GLN 137 N 0.09 0.34 -0.65 1.13 4.15 -1.00 -0.89 115.11 118.28 3kjs h GLN 137 Ca 0.01 -0.12 -0.04 0.00 0.77 0.00 0.00 58.65 59.27 3kjs h GLN 137 Cb 0.72 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.36 3kjs h GLN 137 CO 0.05 0.57 0.25 1.25 -1.93 0.00 0.00 178.83 179.02 3kjs h LEU 138 N 0.08 0.91 -0.73 -2.39 5.85 -0.95 -2.95 115.31 115.12 3kjs h LEU 138 Ca 0.05 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3kjs h LEU 138 Cb 0.43 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3kjs h LEU 138 CO 0.01 0.84 0.00 -0.07 -0.34 0.00 0.00 178.44 178.88 3kjs h LEU 139 N 0.92 0.00 0.00 2.25 3.38 -0.88 -1.78 115.31 119.20 3kjs h LEU 139 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3kjs h LEU 139 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3kjs h LEU 139 CO -0.02 0.00 -0.06 0.00 0.09 0.00 0.00 178.44 178.45 3kjs n ALA 140 N -1.83 2.49 -1.71 1.53 0.00 -0.86 -3.27 120.51 116.86 3kjs n ALA 140 Ca 0.02 -0.13 -0.37 0.00 0.00 0.00 0.00 53.44 52.96 3kjs n ALA 140 Cb 0.27 -1.42 0.07 0.00 0.00 0.00 0.00 19.45 18.36 3kjs n ALA 140 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3kjs n SER 141 N -1.51 1.83 0.28 0.00 7.64 -0.67 -4.65 113.62 116.54 3kjs n SER 141 Ca 0.07 0.82 0.18 0.00 1.01 0.00 0.00 58.87 60.94 3kjs n SER 141 Cb 0.34 -1.53 0.94 0.00 -1.01 0.00 0.00 64.21 62.95 3kjs n SER 141 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3kjs h PRO 142 N 0.50 0.00 0.00 1.43 0.13 -1.90 0.25 132.00 132.41 3kjs h PRO 142 Ca -0.51 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.53 3kjs h PRO 142 Cb 1.34 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 3kjs h PRO 142 CO 0.52 0.00 -0.47 -0.97 -0.23 0.00 0.00 178.00 176.86 3kjs h ASN 143 N 0.00 0.00 0.00 1.44 -0.73 -1.91 -3.35 115.58 111.03 3kjs h ASN 143 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 3kjs h ASN 143 Cb 0.12 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.71 3kjs h ASN 143 CO 0.00 0.47 -0.85 -1.22 -0.37 0.00 0.00 177.43 175.46 3kjs n TYR 144 N -3.87 0.00 -4.09 0.67 4.01 -0.38 -4.75 117.16 108.75 3kjs n TYR 144 Ca -0.01 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.39 3kjs n TYR 144 Cb 0.50 -0.05 -0.15 0.00 -0.31 0.00 0.00 39.34 39.33 3kjs n TYR 144 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3kjs s THR 145 N -1.94 2.64 -0.42 -0.72 2.01 0.73 -0.09 115.64 117.85 3kjs s THR 145 Ca -0.00 -0.75 0.15 0.00 0.31 0.00 0.00 61.69 61.40 3kjs s THR 145 Cb 0.02 -2.15 0.70 0.00 0.01 0.00 0.00 72.50 71.08 3kjs s THR 145 CO 0.13 0.49 1.62 -0.81 -0.69 0.00 0.00 174.62 175.36 3kjs n PRO 146 N 4.62 4.06 0.26 4.92 -0.04 -1.26 -4.19 135.00 143.36 3kjs n PRO 146 Ca -0.20 -2.98 0.12 0.00 -0.04 0.00 0.00 63.50 60.40 3kjs n PRO 146 Cb 0.51 -2.04 0.70 0.00 -0.04 0.00 0.00 33.50 32.63 3kjs n PRO 146 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3kjs h SER 147 N 3.32 0.00 -3.58 3.54 4.64 -1.75 -3.35 113.55 116.36 3kjs h SER 147 Ca 0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 3kjs h SER 147 Cb 1.68 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.64 3kjs h SER 147 CO 0.35 0.12 0.17 -0.63 -0.87 0.00 0.00 176.83 175.97 3kjs s ILE 148 N -4.29 4.84 -0.04 0.95 -1.09 0.87 -2.34 121.20 120.09 3kjs s ILE 148 Ca -0.03 0.42 -0.26 0.00 -2.23 0.00 0.00 60.65 58.55 3kjs s ILE 148 Cb 0.14 -4.15 -0.20 0.00 -1.58 0.00 0.00 42.46 36.66 3kjs s ILE 148 CO 0.60 -0.46 1.16 -0.08 -1.23 0.00 0.00 174.94 174.93 3kjs h GLU 149 N 8.66 -0.05 -4.21 2.79 4.81 -1.23 -3.45 114.58 121.90 3kjs h GLU 149 Ca -0.26 0.00 -0.39 0.00 -0.13 0.00 0.00 59.36 58.59 3kjs h GLU 149 Cb 1.10 0.01 -0.32 0.00 0.63 0.00 0.00 28.75 30.18 3kjs h GLU 149 CO 0.87 0.48 -0.77 0.99 -0.73 0.00 0.00 179.01 179.85 3kjs s THR 150 N -3.94 0.53 -0.20 0.32 2.01 -1.26 -4.54 115.64 108.56 3kjs s THR 150 Ca -0.16 -0.19 -0.14 0.00 0.31 0.00 0.00 61.69 61.51 3kjs s THR 150 Cb 0.01 -0.51 -0.04 0.00 0.01 0.00 0.00 72.50 71.96 3kjs s THR 150 CO 0.64 0.19 0.31 -0.69 -0.69 0.00 0.00 174.62 174.39 3kjs s VAL 151 N 0.47 5.27 -0.20 3.82 1.01 -1.26 -1.12 120.40 128.38 3kjs s VAL 151 Ca -0.06 0.53 -0.02 0.00 0.00 0.00 0.00 61.98 62.43 3kjs s VAL 151 Cb -0.10 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.64 3kjs s VAL 151 CO 0.00 0.31 -0.11 -0.31 0.00 0.00 0.00 175.10 174.99 3kjs s TYR 152 N 1.04 2.89 -0.09 5.22 2.02 0.17 -0.05 117.35 128.55 3kjs s TYR 152 Ca 0.15 -1.20 -0.30 0.00 -0.37 0.00 0.00 57.07 55.35 3kjs s TYR 152 Cb -0.14 -2.03 -0.02 0.00 -0.40 0.00 0.00 41.96 39.37 3kjs s TYR 152 CO 0.06 -0.64 1.14 0.00 -1.57 0.00 0.00 175.55 174.53 3kjs n ILE 154 N 4.72 0.72 0.00 0.00 -5.35 -0.53 -1.64 119.36 117.27 3kjs n ILE 154 Ca 0.11 -0.82 0.00 0.00 -0.27 0.00 0.00 62.75 61.77 3kjs n ILE 154 Cb 0.47 0.66 0.00 0.00 -1.74 0.00 0.00 39.64 39.03 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 -0.36 1.57 0.00 3.28 0.00 -1.26 -4.95 105.19 103.48 3kjs n GLY 155 Ca 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.45 1.42 0.20 -0.02 0.00 -1.26 -1.16 105.19 103.92 3kjs n GLY 156 Ca 0.00 -1.15 -0.09 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.09 1.70 -0.02 0.00 -1.96 0.35 103.07 103.05 3kjs h GLY 157 Ca 0.00 0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.46 3kjs h GLY 157 CO 0.00 -0.15 -0.07 1.48 0.00 0.00 0.00 176.54 177.80 3kjs h SER 158 N -0.19 0.36 -0.12 0.19 4.64 -1.95 -1.13 113.55 115.34 3kjs h SER 158 Ca 0.09 -0.07 -0.19 0.00 -0.47 0.00 0.00 61.79 61.15 3kjs h SER 158 Cb 0.32 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3kjs h SER 158 CO -0.23 0.47 -0.65 0.58 -0.87 0.00 0.00 176.83 176.13 3kjs h VAL 159 N 0.36 1.29 -0.42 0.95 2.07 -1.77 -2.07 116.25 116.67 3kjs h VAL 159 Ca 0.08 -1.87 -0.01 0.00 0.82 0.00 0.00 66.70 65.72 3kjs h VAL 159 Cb 0.35 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 3kjs h VAL 159 CO 0.02 0.59 0.22 1.88 0.02 0.00 0.00 177.57 180.30 3kjs h TYR 160 N 0.54 0.58 -0.91 1.57 0.05 -0.68 -1.11 116.97 117.02 3kjs h TYR 160 Ca -0.01 -0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.77 3kjs h TYR 160 Cb 1.25 -0.18 -0.05 0.00 1.01 0.00 0.00 36.73 38.75 3kjs h TYR 160 CO 0.07 0.46 0.60 0.00 -1.05 0.00 0.00 178.16 178.24 3kjs h ALA 161 N 1.07 1.39 -0.05 3.88 0.00 -1.14 -0.85 119.26 123.55 3kjs h ALA 161 Ca 0.15 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 3kjs h ALA 161 Cb 0.08 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3kjs h ALA 161 CO -0.02 0.55 -0.51 1.49 0.00 0.00 0.00 179.25 180.76 3kjs h GLU 162 N 1.19 0.14 -0.07 0.00 4.81 -1.19 -3.05 114.58 116.41 3kjs h GLU 162 Ca 0.35 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.39 3kjs h GLU 162 Cb -0.07 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3kjs h GLU 162 CO -0.09 0.62 -0.46 0.00 -0.73 0.00 0.00 179.01 178.34 3kjs h ALA 163 N 1.37 1.10 -0.13 2.92 0.00 0.12 -2.96 119.26 121.68 3kjs h ALA 163 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3kjs h ALA 163 Cb 0.94 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3kjs h ALA 163 CO 0.07 0.62 0.00 1.28 0.00 0.00 0.00 179.25 181.22 3kjs n LEU 164 N -3.98 1.24 -4.55 0.00 4.77 -0.59 -2.74 117.00 111.15 3kjs n LEU 164 Ca -0.02 -0.53 -0.30 0.00 -0.03 0.00 0.00 56.01 55.14 3kjs n LEU 164 Cb 0.51 -0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 3kjs n LEU 164 CO 0.42 0.26 -0.44 -0.60 -1.33 0.00 0.00 177.39 175.70 3kjs s ARG 165 N -1.83 2.06 0.56 3.23 3.52 -1.12 -4.79 118.95 120.58 3kjs s ARG 165 Ca 0.30 -1.05 -0.19 0.00 -0.13 0.00 0.00 55.73 54.66 3kjs s ARG 165 Cb 0.16 -2.27 -0.05 0.00 -1.56 0.00 0.00 34.95 31.23 3kjs s ARG 165 CO 0.24 0.51 1.17 -2.14 -0.81 0.00 0.00 175.30 174.27 3kjs s PRO 166 N -2.15 3.19 0.00 5.12 0.02 -1.26 -0.56 135.00 139.36 3kjs s PRO 166 Ca 0.20 1.74 0.28 0.00 0.02 0.00 0.00 61.00 63.24 3kjs s PRO 166 Cb -0.11 -2.00 1.11 0.00 0.02 0.00 0.00 34.50 33.52 3kjs s PRO 166 CO 0.12 -1.01 1.79 -0.35 -0.33 0.00 0.00 177.00 177.23 3kjs n PRO 167 N -1.39 0.63 -0.12 5.54 -0.04 -1.26 -4.85 135.00 133.51 3kjs n PRO 167 Ca 0.12 -0.24 -0.06 0.00 -0.04 0.00 0.00 63.50 63.28 3kjs n PRO 167 Cb 0.50 -1.49 0.12 0.00 -0.04 0.00 0.00 33.50 32.59 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 0.77 1.14 0.00 0.00 3.04 -0.63 -1.08 116.25 119.49 3kjs h VAL 169 Ca 0.14 -0.51 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 3kjs h VAL 169 Cb 0.53 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 3kjs h VAL 169 CO 0.03 0.18 0.00 1.41 -1.01 0.00 0.00 177.57 178.17 3kjs n HIS 170 N -4.37 0.00 0.05 3.17 8.25 -1.24 -2.03 115.22 119.06 3kjs n HIS 170 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.53 3kjs n HIS 170 Cb 0.18 -0.34 0.15 0.00 1.12 0.00 0.00 29.99 31.09 3kjs n HIS 170 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3kjs n LEU 171 N -1.34 2.83 -4.59 2.41 4.32 -0.41 -4.95 117.00 115.28 3kjs n LEU 171 Ca 0.07 -1.66 -0.43 0.00 -0.02 0.00 0.00 56.01 53.97 3kjs n LEU 171 Cb 0.16 -0.19 -0.04 0.00 -1.62 0.00 0.00 43.42 41.73 3kjs n LEU 171 CO 0.14 0.66 0.73 -0.22 -1.22 0.00 0.00 177.39 177.49 3kjs s LEU 172 N -1.06 4.01 -0.00 2.23 2.96 -0.86 -1.72 118.68 124.24 3kjs s LEU 172 Ca 0.25 0.36 0.03 0.00 -0.22 0.00 0.00 54.13 54.55 3kjs s LEU 172 Cb 0.14 -3.21 -0.25 0.00 0.50 0.00 0.00 46.19 43.37 3kjs s LEU 172 CO 0.19 -0.92 0.82 1.56 -1.32 0.00 0.00 176.35 176.68 3kjs h GLN 173 N 8.73 0.14 -2.13 1.98 1.08 -1.15 -3.44 115.11 120.33 3kjs h GLN 173 Ca -0.24 -0.24 -0.06 0.00 -1.45 0.00 0.00 58.65 56.67 3kjs h GLN 173 Cb 1.08 0.09 -0.18 0.00 -0.05 0.00 0.00 27.48 28.41 3kjs h GLN 173 CO 0.99 0.92 0.18 0.00 -0.95 0.00 0.00 178.83 179.98 3kjs s ALA 174 N -2.62 -1.73 -0.17 3.87 0.00 -1.26 -4.27 121.76 115.59 3kjs s ALA 174 Ca -0.07 1.21 0.01 0.00 0.00 0.00 0.00 51.96 53.10 3kjs s ALA 174 Cb 0.08 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.31 3kjs s ALA 174 CO 0.83 -0.41 -0.17 0.42 0.00 0.00 0.00 175.76 176.43 3kjs s ILE 175 N -1.44 1.86 -0.50 0.00 1.01 0.49 -1.12 121.20 121.49 3kjs s ILE 175 Ca -0.10 -0.82 -0.16 0.00 0.00 0.00 0.00 60.65 59.57 3kjs s ILE 175 Cb -0.00 -1.70 0.09 0.00 0.01 0.00 0.00 42.46 40.86 3kjs s ILE 175 CO 0.08 0.50 0.44 -0.31 0.00 0.00 0.00 174.94 175.64 3kjs s TYR 176 N 1.37 3.24 -0.21 3.97 1.51 0.12 -0.09 117.35 127.26 3kjs s TYR 176 Ca 0.05 -1.05 -0.04 0.00 -1.01 0.00 0.00 57.07 55.02 3kjs s TYR 176 Cb -0.13 -3.41 -0.01 0.00 -0.11 0.00 0.00 41.96 38.30 3kjs s TYR 176 CO -0.12 -0.88 -0.04 0.50 -1.11 0.00 0.00 175.55 173.89 3kjs s ARG 177 N 1.65 3.40 -0.14 -0.62 3.52 -0.27 -1.08 118.95 125.41 3kjs s ARG 177 Ca 0.04 -0.62 -0.16 0.00 -0.13 0.00 0.00 55.73 54.86 3kjs s ARG 177 Cb -0.26 -2.99 -0.04 0.00 -1.56 0.00 0.00 34.95 30.09 3kjs s ARG 177 CO 0.05 -0.15 0.37 0.99 -0.81 0.00 0.00 175.30 175.76 3kjs s THR 178 N 1.36 5.25 -0.23 4.11 2.01 0.00 -0.80 115.64 127.34 3kjs s THR 178 Ca 0.04 0.73 -0.07 0.00 0.31 0.00 0.00 61.69 62.70 3kjs s THR 178 Cb -0.14 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 3kjs s THR 178 CO -0.02 0.36 0.07 -0.89 -0.69 0.00 0.00 174.62 173.45 3kjs s THR 179 N 0.54 4.44 -0.26 -0.82 2.01 -0.29 -0.29 115.64 120.98 3kjs s THR 179 Ca 0.21 -0.14 -0.13 0.00 0.31 0.00 0.00 61.69 61.94 3kjs s THR 179 Cb -0.14 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 3kjs s THR 179 CO 0.07 0.37 0.27 -0.63 -0.69 0.00 0.00 174.62 174.01 3kjs s ILE 180 N 1.26 5.26 -1.31 1.82 -1.09 0.10 -1.76 121.20 125.49 3kjs s ILE 180 Ca 0.05 0.37 -0.18 0.00 -2.23 0.00 0.00 60.65 58.66 3kjs s ILE 180 Cb -0.15 -3.60 0.05 0.00 -1.58 0.00 0.00 42.46 37.18 3kjs s ILE 180 CO 0.03 0.23 1.82 0.54 -1.23 0.00 0.00 174.94 176.34 3kjs n ARG 181 N 4.99 3.04 -4.02 2.79 1.74 0.25 -3.54 116.66 121.91 3kjs n ARG 181 Ca -0.12 -3.12 -0.10 0.00 -0.77 0.00 0.00 57.85 53.74 3kjs n ARG 181 Cb 0.51 -3.48 -0.07 0.00 -1.02 0.00 0.00 32.46 28.41 3kjs n ARG 181 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kjs s ALA 182 N 4.47 0.05 -0.32 7.54 0.00 -1.26 -4.40 121.76 127.83 3kjs s ALA 182 Ca 0.54 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 3kjs s ALA 182 Cb 0.05 1.07 0.12 0.00 0.00 0.00 0.00 23.12 24.35 3kjs s ALA 182 CO 0.06 -0.75 0.16 0.45 0.00 0.00 0.00 175.76 175.68 3kjs s SER 183 N -3.03 3.43 -0.48 0.00 0.15 -1.26 -2.70 113.70 109.81 3kjs s SER 183 Ca 0.24 -1.74 -0.19 0.00 0.70 0.00 0.00 55.95 54.95 3kjs s SER 183 Cb 0.02 -0.49 0.05 0.00 -1.71 0.00 0.00 66.02 63.88 3kjs s SER 183 CO 0.07 -0.38 0.61 -1.61 1.20 0.00 0.00 173.24 173.13 3kjs s GLU 184 N 1.56 3.15 0.44 5.44 0.41 -1.26 -4.88 118.70 123.57 3kjs s GLU 184 Ca 0.13 -0.76 0.30 0.00 -0.41 0.00 0.00 54.97 54.23 3kjs s GLU 184 Cb -0.19 -4.05 1.56 0.00 -1.78 0.00 0.00 34.13 29.67 3kjs s GLU 184 CO -0.20 -1.14 1.93 0.66 -0.49 0.00 0.00 175.26 176.02 3kjs h SER 185 N 8.95 0.00 0.17 -0.19 4.64 -2.03 -1.34 113.55 123.74 3kjs h SER 185 Ca -0.27 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.02 3kjs h SER 185 Cb 1.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3kjs h SER 185 CO 0.93 0.00 -0.14 -1.28 -0.87 0.00 0.00 176.83 175.47 3kjs h SER 186 N 0.00 0.00 -3.03 4.97 0.87 -1.98 -3.45 113.55 110.94 3kjs h SER 186 Ca 0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 3kjs h SER 186 Cb 0.11 0.00 0.04 0.00 -0.44 0.00 0.00 62.40 62.11 3kjs h SER 186 CO 0.00 0.14 0.79 0.00 -0.53 0.00 0.00 176.83 177.23 3kjs n SER 188 N 3.57 0.15 -4.38 0.00 3.41 -0.66 -4.97 113.62 110.74 3kjs n SER 188 Ca 0.11 -0.49 -0.31 0.00 -0.26 0.00 0.00 58.87 57.91 3kjs n SER 188 Cb 0.40 0.27 -0.15 0.00 -0.26 0.00 0.00 64.21 64.48 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 -0.27 2.46 0.03 -3.33 1.01 -0.93 -4.96 120.40 114.41 3kjs s VAL 189 Ca 0.00 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 60.97 3kjs s VAL 189 Cb 0.00 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 3kjs s VAL 189 CO 0.00 0.53 -0.09 -0.36 0.00 0.00 0.00 175.10 175.19 3kjs s PHE 190 N -0.71 0.74 -0.07 5.22 0.40 -1.26 -0.84 117.98 121.47 3kjs s PHE 190 Ca 0.11 -0.38 0.01 0.00 -0.60 0.00 0.00 56.93 56.08 3kjs s PHE 190 Cb -0.10 -0.45 0.02 0.00 0.51 0.00 0.00 43.02 43.00 3kjs s PHE 190 CO 0.01 -0.04 -0.07 0.12 0.70 0.00 0.00 175.22 175.93 3kjs s PHE 191 N -0.99 1.13 -0.04 0.36 5.36 0.61 -4.90 117.98 119.52 3kjs s PHE 191 Ca -0.05 -0.42 0.00 0.00 -0.96 0.00 0.00 56.93 55.50 3kjs s PHE 191 Cb -0.08 -0.93 0.03 0.00 -0.34 0.00 0.00 43.02 41.70 3kjs s PHE 191 CO 0.01 -0.30 -0.01 1.03 -1.46 0.00 0.00 175.22 174.49 3kjs s ARG 192 N 1.07 0.42 -0.35 10.12 0.52 -1.26 -4.68 118.95 124.79 3kjs s ARG 192 Ca -0.08 0.06 -0.27 0.00 -0.52 0.00 0.00 55.73 54.92 3kjs s ARG 192 Cb -0.14 -0.60 0.01 0.00 0.52 0.00 0.00 34.95 34.74 3kjs s ARG 192 CO -0.01 -0.15 0.97 0.08 0.02 0.00 0.00 175.30 176.21 3kjs s VAL 193 N 1.14 4.57 0.29 3.52 1.01 -1.26 -5.01 120.40 124.66 3kjs s VAL 193 Ca -0.08 1.38 -0.30 0.00 0.00 0.00 0.00 61.98 62.99 3kjs s VAL 193 Cb -0.13 -4.35 -0.10 0.00 0.00 0.00 0.00 36.38 31.79 3kjs s VAL 193 CO -0.02 -0.50 1.46 -2.84 0.00 0.00 0.00 175.10 173.21 3kjs s PRO 194 N 3.51 4.22 0.71 2.72 0.02 -1.26 -4.99 135.00 139.94 3kjs s PRO 194 Ca 0.40 2.39 -0.12 0.00 0.02 0.00 0.00 61.00 63.69 3kjs s PRO 194 Cb -0.12 -3.07 0.02 0.00 0.02 0.00 0.00 34.50 31.36 3kjs s PRO 194 CO 0.17 -0.45 1.08 -1.21 -0.33 0.00 0.00 177.00 176.26 3kjs s GLU 195 N -0.83 2.67 0.13 5.54 2.02 -1.26 -4.66 118.70 122.32 3kjs s GLU 195 Ca 0.58 1.14 -0.35 0.00 0.02 0.00 0.00 54.97 56.36 3kjs s GLU 195 Cb -0.44 -1.95 -0.15 0.00 0.10 0.00 0.00 34.13 31.69 3kjs s GLU 195 CO 0.48 -1.32 1.39 0.45 0.02 0.00 0.00 175.26 176.29 3kjs n SER 196 N -3.06 2.14 0.00 -0.19 2.88 -1.26 -2.75 113.62 111.37 3kjs n SER 196 Ca 0.09 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 3kjs n SER 196 Cb 0.53 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 3kjs n SER 196 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kjs n GLY 197 N 2.69 2.58 3.82 0.46 0.00 -1.26 -5.02 105.19 108.45 3kjs n GLY 197 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.32 4.10 0.23 2.61 -4.23 -1.11 -4.96 115.64 109.96 3kjs s THR 198 Ca 0.00 0.96 -0.06 0.00 -1.18 0.00 0.00 61.69 61.41 3kjs s THR 198 Cb 0.00 -3.51 0.19 0.00 1.34 0.00 0.00 72.50 70.51 3kjs s THR 198 CO 0.00 -0.62 1.79 -0.33 -0.54 0.00 0.00 174.62 174.93 3kjs h GLU 199 N 0.49 0.67 0.00 3.99 5.08 -1.95 -1.87 114.58 120.97 3kjs h GLU 199 Ca -0.46 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3kjs h GLU 199 Cb 1.21 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3kjs h GLU 199 CO 0.59 0.44 0.00 0.00 -1.00 0.00 0.00 179.01 179.04 3kjs h ALA 200 N 1.43 1.00 0.00 3.43 0.00 -1.93 -2.56 119.26 120.63 3kjs h ALA 200 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3kjs h ALA 200 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kjs h ALA 200 CO -0.25 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.00 3kjs h ALA 201 N 2.01 1.00 -5.83 0.00 0.00 -1.59 -3.46 119.26 111.38 3kjs h ALA 201 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 54.91 54.47 3kjs h ALA 201 Cb 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3kjs h ALA 201 CO 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 179.25 178.56 3kjs n ALA 202 N -1.88 -1.19 -0.59 0.00 0.00 -0.97 -1.41 120.51 114.48 3kjs n ALA 202 Ca 0.04 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.67 3kjs n ALA 202 Cb 0.39 -4.06 0.00 0.00 0.00 0.00 0.00 19.45 15.78 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 -1.56 1.25 3.83 0.00 0.00 -1.26 -5.03 105.19 102.42 3kjs n GLY 203 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.38 4.92 -0.47 -0.61 1.01 -0.50 -5.01 121.20 117.15 3kjs s ILE 204 Ca 0.00 0.94 -0.00 0.00 0.00 0.00 0.00 60.65 61.59 3kjs s ILE 204 Cb 0.00 -3.77 0.13 0.00 0.01 0.00 0.00 42.46 38.82 3kjs s ILE 204 CO 0.00 0.52 0.25 -1.61 0.00 0.00 0.00 174.94 174.10 3kjs s GLU 205 N -1.23 2.05 0.19 2.79 2.02 -1.26 -4.55 118.70 118.70 3kjs s GLU 205 Ca 0.27 -2.17 -0.30 0.00 0.02 0.00 0.00 54.97 52.79 3kjs s GLU 205 Cb -0.17 -3.50 -0.08 0.00 0.10 0.00 0.00 34.13 30.47 3kjs s GLU 205 CO 0.16 -1.08 1.24 -1.58 0.02 0.00 0.00 175.26 174.02 3kjs s TRP 206 N 0.50 3.36 0.00 1.61 0.52 -1.26 -0.52 118.94 123.15 3kjs s TRP 206 Ca 0.13 1.36 0.03 0.00 0.02 0.00 0.00 56.10 57.64 3kjs s TRP 206 Cb -0.22 -3.49 -0.01 0.00 -1.15 0.00 0.00 33.47 28.60 3kjs s TRP 206 CO -0.04 -1.43 -0.10 -0.65 0.02 0.00 0.00 176.95 174.75 3kjs s GLN 207 N -0.21 0.75 -0.17 4.98 -0.21 -0.03 -4.85 119.66 119.92 3kjs s GLN 207 Ca 0.54 -0.43 -0.29 0.00 0.02 0.00 0.00 55.36 55.20 3kjs s GLN 207 Cb -0.34 -0.71 -0.03 0.00 1.00 0.00 0.00 33.01 32.93 3kjs s GLN 207 CO 0.37 0.19 1.54 0.50 -2.12 0.00 0.00 175.29 175.77 3kjs s ARG 208 N -0.47 3.98 -0.14 2.91 3.52 -1.26 0.14 118.95 127.63 3kjs s ARG 208 Ca 0.02 1.77 -0.17 0.00 -0.13 0.00 0.00 55.73 57.22 3kjs s ARG 208 Cb -0.05 -3.96 -0.14 0.00 -1.56 0.00 0.00 34.95 29.23 3kjs s ARG 208 CO -0.00 -1.06 0.34 1.49 -0.81 0.00 0.00 175.30 175.25 3kjs h GLU 209 N 9.88 0.00 -5.23 5.12 4.81 -1.03 -3.48 114.58 124.66 3kjs h GLU 209 Ca -0.33 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.53 3kjs h GLU 209 Cb 1.15 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 30.36 3kjs h GLU 209 CO 0.99 0.59 -0.74 0.95 -0.73 0.00 0.00 179.01 180.07 3kjs s THR 210 N -2.05 1.23 -0.06 0.32 -4.23 -1.16 -5.00 115.64 104.69 3kjs s THR 210 Ca -0.14 -1.83 -0.03 0.00 -1.18 0.00 0.00 61.69 58.50 3kjs s THR 210 Cb -0.00 -1.62 0.03 0.00 1.34 0.00 0.00 72.50 72.25 3kjs s THR 210 CO 0.41 -0.56 0.14 -0.51 -0.54 0.00 0.00 174.62 173.57 3kjs s ILE 211 N -2.60 -0.04 0.75 2.99 2.07 -1.26 -1.97 121.20 121.14 3kjs s ILE 211 Ca 0.11 0.14 -0.11 0.00 -1.41 0.00 0.00 60.65 59.38 3kjs s ILE 211 Cb -0.02 -0.23 0.04 0.00 0.13 0.00 0.00 42.46 42.39 3kjs s ILE 211 CO 0.02 0.06 1.09 -0.94 -1.91 0.00 0.00 174.94 173.26 3kjs s SER 212 N 0.95 4.91 0.83 4.50 1.04 0.10 -5.01 113.70 121.03 3kjs s SER 212 Ca -0.07 1.30 -0.11 0.00 0.48 0.00 0.00 55.95 57.55 3kjs s SER 212 Cb -0.09 -2.08 0.09 0.00 0.10 0.00 0.00 66.02 64.03 3kjs s SER 212 CO -0.05 -1.70 1.09 -1.83 0.98 0.00 0.00 173.24 171.73 3kjs s GLU 213 N -5.20 1.78 -0.02 4.02 -1.05 -1.26 -4.70 118.70 112.28 3kjs s GLU 213 Ca 0.60 0.96 -0.30 0.00 -0.15 0.00 0.00 54.97 56.07 3kjs s GLU 213 Cb -0.13 -1.86 -0.05 0.00 -0.44 0.00 0.00 34.13 31.65 3kjs s GLU 213 CO 0.54 -1.91 1.43 -2.00 0.95 0.00 0.00 175.26 174.26 3kjs s GLU 214 N -4.94 4.26 0.27 -4.83 2.12 -1.26 -4.72 118.70 109.60 3kjs s GLU 214 Ca 0.62 1.99 0.10 0.00 0.36 0.00 0.00 54.97 58.04 3kjs s GLU 214 Cb -0.17 -3.63 -0.04 0.00 0.26 0.00 0.00 34.13 30.54 3kjs s GLU 214 CO 0.56 -0.62 -0.05 -0.51 -0.54 0.00 0.00 175.26 174.09 3kjs s LEU 215 N 2.68 3.04 -0.13 2.70 1.43 0.22 -4.96 118.68 123.66 3kjs s LEU 215 Ca 0.65 -0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 53.00 3kjs s LEU 215 Cb -0.31 -1.57 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 3kjs s LEU 215 CO 0.26 0.01 -0.09 -0.89 0.23 0.00 0.00 176.35 175.88 3kjs s THR 216 N -2.34 3.46 0.22 5.49 2.01 -1.26 -1.03 115.64 122.18 3kjs s THR 216 Ca 0.31 -0.52 -0.30 0.00 0.31 0.00 0.00 61.69 61.49 3kjs s THR 216 Cb -0.06 -2.48 -0.08 0.00 0.01 0.00 0.00 72.50 69.89 3kjs s THR 216 CO 0.19 0.52 1.04 -0.55 -0.69 0.00 0.00 174.62 175.12 3kjs s SER 217 N 0.24 7.40 -1.30 3.53 0.15 0.15 -4.97 113.70 118.90 3kjs s SER 217 Ca -0.06 2.07 -0.11 0.00 0.70 0.00 0.00 55.95 58.56 3kjs s SER 217 Cb -0.15 -2.61 0.15 0.00 -1.71 0.00 0.00 66.02 61.70 3kjs s SER 217 CO 0.04 -0.07 1.88 0.00 1.20 0.00 0.00 173.24 176.28 3kjs n ALA 218 N 1.81 5.19 -0.32 5.45 0.00 -1.26 -4.12 120.51 127.26 3kjs n ALA 218 Ca 0.00 -4.24 0.00 0.00 0.00 0.00 0.00 53.44 49.21 3kjs n ALA 218 Cb 0.46 -3.08 0.00 0.00 0.00 0.00 0.00 19.45 16.83 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 4.48 1.05 0.00 0.00 6.94 -1.26 -4.85 115.26 121.61 3kjs n ASN 219 Ca 0.41 -1.37 0.00 0.00 -0.02 0.00 0.00 54.58 53.60 3kjs n ASN 219 Cb 0.38 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.80 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 -0.19 1.79 0.41 4.83 0.00 -1.26 -4.84 105.19 105.94 3kjs n GLY 220 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 2.22 -3.84 1.61 3.02 -1.26 -4.99 115.26 112.02 3kjs n ASN 221 Ca 0.00 -1.69 -0.30 0.00 -0.03 0.00 0.00 54.58 52.56 3kjs n ASN 221 Cb 0.00 -0.09 -0.02 0.00 -0.61 0.00 0.00 39.78 39.06 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 0.37 -3.27 -1.98 3.52 4.71 -1.26 -4.89 120.64 117.85 3kjs n GLU 222 Ca 0.07 0.40 -0.42 0.00 -0.01 0.00 0.00 57.16 57.20 3kjs n GLU 222 Cb 0.30 -5.12 -0.02 0.00 -1.01 0.00 0.00 31.44 25.59 3kjs n GLU 222 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 3kjs s THR 223 N -3.10 2.60 0.16 2.62 2.01 -1.26 -4.67 115.64 114.00 3kjs s THR 223 Ca 0.59 0.49 -0.11 0.00 0.31 0.00 0.00 61.69 62.98 3kjs s THR 223 Cb -0.32 -3.31 -0.07 0.00 0.01 0.00 0.00 72.50 68.81 3kjs s THR 223 CO 0.73 0.07 0.49 -0.54 -0.69 0.00 0.00 174.62 174.69 3kjs s LYS 224 N -0.08 3.83 0.16 4.92 1.02 -1.26 0.30 119.74 128.62 3kjs s LYS 224 Ca 0.62 0.28 -0.20 0.00 0.02 0.00 0.00 55.97 56.69 3kjs s LYS 224 Cb -0.43 -2.84 0.05 0.00 -0.52 0.00 0.00 37.83 34.09 3kjs s LYS 224 CO 0.41 0.44 0.53 1.52 -0.92 0.00 0.00 175.35 177.34 3kjs s TYR 225 N -1.59 -0.38 0.13 3.18 1.13 -0.20 0.84 117.35 120.46 3kjs s TYR 225 Ca 0.40 0.12 -0.15 0.00 -1.41 0.00 0.00 57.07 56.03 3kjs s TYR 225 Cb -0.13 0.45 0.03 0.00 -1.10 0.00 0.00 41.96 41.21 3kjs s TYR 225 CO 0.20 -0.82 0.37 1.52 -2.51 0.00 0.00 175.55 174.31 3kjs s TYR 226 N -3.78 -0.11 0.03 -3.49 1.13 -0.72 -0.61 117.35 109.80 3kjs s TYR 226 Ca 0.03 -0.23 0.04 0.00 -1.41 0.00 0.00 57.07 55.50 3kjs s TYR 226 Cb -0.00 0.20 -0.04 0.00 -1.10 0.00 0.00 41.96 41.02 3kjs s TYR 226 CO -0.11 -0.69 -0.05 -0.06 -2.51 0.00 0.00 175.55 172.12 3kjs s PHE 227 N -3.83 2.90 0.02 -3.49 0.08 -1.26 -1.13 117.98 111.27 3kjs s PHE 227 Ca 0.04 -0.05 0.01 0.00 0.12 0.00 0.00 56.93 57.06 3kjs s PHE 227 Cb 0.02 -1.57 -0.02 0.00 -0.57 0.00 0.00 43.02 40.88 3kjs s PHE 227 CO -0.11 0.41 -0.05 -1.83 -0.10 0.00 0.00 175.22 173.54 3kjs s GLU 228 N -1.71 0.39 -0.22 0.44 -1.05 0.02 -0.72 118.70 115.85 3kjs s GLU 228 Ca 0.19 -0.57 -0.05 0.00 -0.15 0.00 0.00 54.97 54.40 3kjs s GLU 228 Cb -0.11 -0.14 -0.02 0.00 -0.44 0.00 0.00 34.13 33.42 3kjs s GLU 228 CO 0.11 0.02 0.00 0.21 0.95 0.00 0.00 175.26 176.54 3kjs s LYS 229 N -1.21 3.54 -0.01 -4.83 2.20 -0.83 -1.11 119.74 117.48 3kjs s LYS 229 Ca -0.10 -0.55 0.02 0.00 -0.36 0.00 0.00 55.97 54.98 3kjs s LYS 229 Cb -0.08 -3.11 -0.03 0.00 -1.51 0.00 0.00 37.83 33.09 3kjs s LYS 229 CO -0.00 -0.11 -0.03 -0.51 -0.36 0.00 0.00 175.35 174.34 3kjs s LEU 230 N 1.32 3.38 0.02 5.43 1.43 0.87 -0.34 118.68 130.80 3kjs s LEU 230 Ca 0.04 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 3kjs s LEU 230 Cb -0.15 -1.92 -0.02 0.00 0.03 0.00 0.00 46.19 44.14 3kjs s LEU 230 CO 0.01 0.29 -0.06 0.27 0.23 0.00 0.00 176.35 177.09 3kjs s ILE 231 N -1.03 0.44 0.01 -0.59 -4.36 0.12 -0.38 121.20 115.41 3kjs s ILE 231 Ca 0.18 -0.74 -0.30 0.00 -0.26 0.00 0.00 60.65 59.52 3kjs s ILE 231 Cb -0.11 -0.47 -0.04 0.00 1.25 0.00 0.00 42.46 43.09 3kjs s ILE 231 CO 0.08 -0.22 1.09 -2.16 0.24 0.00 0.00 174.94 173.98 3kjs s PRO 232 N -1.03 4.48 -0.03 0.37 0.04 -1.26 -0.85 135.00 136.71 3kjs s PRO 232 Ca -0.06 1.58 -0.35 0.00 0.04 0.00 0.00 61.00 62.20 3kjs s PRO 232 Cb -0.07 -3.43 -0.14 0.00 0.04 0.00 0.00 34.50 30.90 3kjs s PRO 232 CO 0.00 -0.19 1.71 -2.13 0.04 0.00 0.00 177.00 176.42 3kjs n ARG 233 N 4.14 1.88 -3.16 4.56 0.63 0.32 -4.47 116.66 120.56 3kjs n ARG 233 Ca 0.08 0.69 -0.45 0.00 -0.92 0.00 0.00 57.85 57.24 3kjs n ARG 233 Cb 0.48 -2.46 -0.01 0.00 0.45 0.00 0.00 32.46 30.93 3kjs n ARG 233 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 3kjs s ASN 234 N 2.64 7.00 0.39 6.15 3.84 -1.26 -4.79 114.94 128.91 3kjs s ASN 234 Ca 0.89 -2.94 0.09 0.00 0.21 0.00 0.00 52.86 51.11 3kjs s ASN 234 Cb -0.78 -2.29 0.87 0.00 -0.55 0.00 0.00 41.25 38.49 3kjs s ASN 234 CO 0.49 -0.62 1.97 0.03 -2.79 0.00 0.00 177.10 176.19 3kjs h ARG 235 N 7.47 0.58 -0.05 0.43 2.47 -1.96 -2.38 114.38 120.93 3kjs h ARG 235 Ca 0.19 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.87 3kjs h ARG 235 Cb 0.94 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 29.13 3kjs h ARG 235 CO 1.03 0.38 0.02 0.93 0.56 0.00 0.00 179.97 182.88 3kjs h GLU 236 N 0.60 0.08 -0.00 0.04 5.08 -1.89 -1.35 114.58 117.13 3kjs h GLU 236 Ca 0.29 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.57 3kjs h GLU 236 Cb 0.35 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 3kjs h GLU 236 CO -0.09 0.25 -0.26 1.49 -1.00 0.00 0.00 179.01 179.40 3kjs h GLU 237 N -0.11 0.00 0.00 2.33 4.81 -1.91 -2.72 114.58 116.99 3kjs h GLU 237 Ca 0.02 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.18 3kjs h GLU 237 Cb 0.20 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3kjs h GLU 237 CO -0.00 0.27 -0.30 0.93 -0.73 0.00 0.00 179.01 179.17 3kjs h GLU 238 N 0.00 0.00 -0.41 1.92 5.08 -0.88 -1.63 114.58 118.66 3kjs h GLU 238 Ca -0.00 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.43 3kjs h GLU 238 Cb 0.47 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.66 3kjs h GLU 238 CO 0.03 0.30 0.05 1.96 -1.00 0.00 0.00 179.01 180.36 3kjs h GLN 239 N 0.00 0.17 -0.03 2.33 4.20 -0.93 0.01 115.11 120.87 3kjs h GLN 239 Ca -0.00 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 3kjs h GLN 239 Cb 0.57 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.31 3kjs h GLN 239 CO 0.04 0.11 0.01 -0.92 -0.67 0.00 0.00 178.83 177.40 3kjs h TYR 240 N 0.17 0.05 -0.76 2.96 3.20 -1.37 -1.85 116.97 119.37 3kjs h TYR 240 Ca 0.20 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 3kjs h TYR 240 Cb 0.27 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 3kjs h TYR 240 CO -0.23 0.21 0.27 -0.07 -1.64 0.00 0.00 178.16 176.71 3kjs h LEU 241 N -0.14 1.07 -0.85 2.82 3.38 -1.20 -1.51 115.31 118.88 3kjs h LEU 241 Ca 0.01 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 3kjs h LEU 241 Cb 0.19 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3kjs h LEU 241 CO -0.00 0.97 0.52 0.28 0.09 0.00 0.00 178.44 180.30 3kjs h SER 242 N 1.11 1.01 -0.37 -0.43 0.02 -0.89 -0.57 113.55 113.43 3kjs h SER 242 Ca 0.25 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 3kjs h SER 242 Cb 0.26 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 3kjs h SER 242 CO -0.02 0.77 0.17 0.25 -1.14 0.00 0.00 176.83 176.87 3kjs h LEU 243 N 1.16 0.48 -0.25 5.07 5.85 -0.85 -0.04 115.31 126.72 3kjs h LEU 243 Ca 0.31 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.91 3kjs h LEU 243 Cb -0.07 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 3kjs h LEU 243 CO -0.06 0.48 0.12 0.58 -0.34 0.00 0.00 178.44 179.22 3kjs h VAL 244 N 0.45 0.98 -0.86 1.05 2.07 -0.99 -1.34 116.25 117.61 3kjs h VAL 244 Ca 0.13 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 3kjs h VAL 244 Cb 0.13 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 3kjs h VAL 244 CO -0.02 0.05 0.48 -0.78 0.02 0.00 0.00 177.57 177.32 3kjs h ASP 245 N 0.25 1.08 -0.17 0.57 3.58 -0.93 -1.78 116.42 119.02 3kjs h ASP 245 Ca 0.10 -0.10 -0.09 0.00 0.42 0.00 0.00 57.03 57.37 3kjs h ASP 245 Cb 0.04 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 40.80 3kjs h ASP 245 CO -0.08 0.86 -0.16 -0.09 -2.88 0.00 0.00 179.24 176.89 3kjs h ARG 246 N 1.20 0.57 -0.42 0.28 2.43 -0.71 -1.51 114.38 116.23 3kjs h ARG 246 Ca 0.30 -0.19 -0.03 0.00 -0.81 0.00 0.00 59.98 59.26 3kjs h ARG 246 Cb 0.02 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 3kjs h ARG 246 CO -0.05 0.71 0.14 0.82 -1.51 0.00 0.00 179.97 180.09 3kjs h ILE 247 N 0.52 1.21 -0.54 1.20 2.04 -0.71 0.83 117.51 122.06 3kjs h ILE 247 Ca 0.09 -0.68 -0.10 0.00 1.00 0.00 0.00 64.86 65.17 3kjs h ILE 247 Cb 0.58 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 3kjs h ILE 247 CO 0.04 0.24 -0.05 0.40 0.00 0.00 0.00 178.15 178.78 3kjs h ILE 248 N 0.53 1.27 -0.09 -0.67 2.04 -1.16 0.25 117.51 119.68 3kjs h ILE 248 Ca 0.14 -1.18 -0.22 0.00 1.00 0.00 0.00 64.86 64.60 3kjs h ILE 248 Cb 0.24 0.95 0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3kjs h ILE 248 CO -0.01 0.42 -0.81 0.03 0.00 0.00 0.00 178.15 177.78 3kjs h ARG 249 N 0.86 0.61 0.00 2.37 3.08 -1.19 -3.41 114.38 116.69 3kjs h ARG 249 Ca 0.15 -0.53 0.00 0.00 0.07 0.00 0.00 59.98 59.66 3kjs h ARG 249 Cb 0.60 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.77 3kjs h ARG 249 CO 0.04 1.15 0.00 0.39 -1.07 0.00 0.00 179.97 180.48 3kjs n GLU 250 N -3.87 2.78 -1.85 0.04 1.02 0.28 -5.08 120.64 113.95 3kjs n GLU 250 Ca -0.07 -0.02 -0.38 0.00 -0.02 0.00 0.00 57.16 56.68 3kjs n GLU 250 Cb 0.76 -0.26 0.04 0.00 -0.02 0.00 0.00 31.44 31.96 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 -0.40 2.86 0.26 0.62 0.00 0.89 -4.98 107.32 106.56 3kjs s GLY 251 Ca 0.00 1.23 -0.23 0.00 0.00 0.00 0.00 44.72 45.72 3kjs s GLY 251 CO 0.00 1.72 0.82 -1.31 0.00 0.00 0.00 173.10 174.33 3kjs s ASN 252 N -1.15 7.21 0.02 1.64 0.01 0.84 -4.50 114.94 119.02 3kjs s ASN 252 Ca 0.73 1.62 -0.30 0.00 -0.71 0.00 0.00 52.86 54.20 3kjs s ASN 252 Cb -0.38 -2.50 -0.06 0.00 0.41 0.00 0.00 41.25 38.73 3kjs s ASN 252 CO 0.43 0.01 1.33 -0.69 -1.51 0.00 0.00 177.10 176.67 3kjs s VAL 253 N -1.52 3.78 0.12 1.60 1.01 -1.26 -0.40 120.40 123.73 3kjs s VAL 253 Ca 0.45 1.21 0.01 0.00 0.00 0.00 0.00 61.98 63.65 3kjs s VAL 253 Cb -0.18 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 3kjs s VAL 253 CO 0.23 0.03 -0.01 -0.54 0.00 0.00 0.00 175.10 174.80 3kjs s LYS 254 N 1.92 0.89 -0.05 2.72 1.02 0.13 -4.97 119.74 121.40 3kjs s LYS 254 Ca 0.62 -1.39 0.04 0.00 0.02 0.00 0.00 55.97 55.25 3kjs s LYS 254 Cb -0.31 -0.05 0.00 0.00 -0.52 0.00 0.00 37.83 36.95 3kjs s LYS 254 CO 0.27 -0.12 -0.17 -1.01 -0.92 0.00 0.00 175.35 173.40 3kjs s HIS 255 N -3.78 1.73 0.71 3.18 3.76 -1.26 0.60 115.29 120.23 3kjs s HIS 255 Ca 0.17 -0.56 -0.12 0.00 -0.15 0.00 0.00 55.06 54.40 3kjs s HIS 255 Cb 0.06 -1.19 0.16 0.00 1.11 0.00 0.00 32.58 32.73 3kjs s HIS 255 CO -0.02 -0.22 0.96 -0.40 -0.85 0.00 0.00 174.74 174.22 3kjs n ASP 256 N 3.34 0.06 -0.28 1.40 5.68 -0.64 -4.84 116.55 121.28 3kjs n ASP 256 Ca -0.19 -1.35 0.10 0.00 -0.50 0.00 0.00 54.79 52.85 3kjs n ASP 256 Cb 0.53 -0.74 0.25 0.00 -1.14 0.00 0.00 41.12 40.02 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 0.28 -0.00 0.11 2.47 -2.01 0.63 114.38 115.85 3kjs h ARG 257 Ca -0.31 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.39 3kjs h ARG 257 Cb 0.86 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.12 3kjs h ARG 257 CO 0.22 0.18 -0.03 0.25 0.56 0.00 0.00 179.97 181.15 3kjs n THR 258 N -5.15 0.00 -0.41 2.04 -2.24 -1.26 -4.90 114.28 102.36 3kjs n THR 258 Ca 0.19 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 3kjs n THR 258 Cb 0.59 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 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 1.25 0.79 3.73 3.38 0.00 0.21 -5.06 105.19 109.50 3kjs n GLY 259 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.06 4.35 0.46 1.61 1.01 -1.26 -4.73 120.40 119.79 3kjs s VAL 260 Ca 0.00 2.05 -0.23 0.00 0.00 0.00 0.00 61.98 63.79 3kjs s VAL 260 Cb 0.00 -4.31 -0.07 0.00 0.00 0.00 0.00 36.38 32.00 3kjs s VAL 260 CO 0.00 0.36 1.22 -0.83 0.00 0.00 0.00 175.10 175.85 3kjs s GLY 261 N -0.30 2.82 -0.00 4.51 0.00 -1.26 -1.62 107.32 111.47 3kjs s GLY 261 Ca 0.46 1.05 -0.08 0.00 0.00 0.00 0.00 44.72 46.14 3kjs s GLY 261 CO 0.31 1.53 0.15 -1.59 0.00 0.00 0.00 173.10 173.51 3kjs s THR 262 N -1.45 0.08 -0.16 0.90 2.01 0.20 -2.17 115.64 115.04 3kjs s THR 262 Ca 0.64 -0.63 -0.02 0.00 0.31 0.00 0.00 61.69 61.98 3kjs s THR 262 Cb -0.32 -0.44 -0.02 0.00 0.01 0.00 0.00 72.50 71.74 3kjs s THR 262 CO 0.39 -0.35 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.13 3kjs s LEU 263 N -1.29 2.94 0.01 4.42 1.43 0.23 -0.69 118.68 125.71 3kjs s LEU 263 Ca -0.14 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 3kjs s LEU 263 Cb -0.07 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 3kjs s LEU 263 CO 0.02 0.13 -0.02 -0.55 0.23 0.00 0.00 176.35 176.16 3kjs s SER 264 N 0.56 0.16 0.32 2.29 0.15 0.46 -0.95 113.70 116.69 3kjs s SER 264 Ca -0.05 -0.14 0.08 0.00 0.70 0.00 0.00 55.95 56.54 3kjs s SER 264 Cb -0.15 0.01 -0.06 0.00 -1.71 0.00 0.00 66.02 64.11 3kjs s SER 264 CO 0.03 -0.06 -0.06 0.27 1.20 0.00 0.00 173.24 174.61 3kjs s ILE 265 N -0.37 1.89 -0.12 6.45 -5.25 0.06 -0.12 121.20 123.74 3kjs s ILE 265 Ca -0.03 -2.15 0.01 0.00 -0.99 0.00 0.00 60.65 57.49 3kjs s ILE 265 Cb -0.03 -2.58 0.02 0.00 2.95 0.00 0.00 42.46 42.82 3kjs s ILE 265 CO -0.00 -0.23 -0.13 0.12 -1.79 0.00 0.00 174.94 172.90 3kjs s PHE 266 N -2.84 1.96 0.00 1.37 5.36 -1.26 -0.81 117.98 121.76 3kjs s PHE 266 Ca 0.31 -1.00 0.00 0.00 -0.96 0.00 0.00 56.93 55.28 3kjs s PHE 266 Cb 0.04 -1.45 0.00 0.00 -0.34 0.00 0.00 43.02 41.27 3kjs s PHE 266 CO 0.14 -0.55 0.00 0.41 -1.46 0.00 0.00 175.22 173.76 3kjs n GLY 267 N 4.54 -1.85 3.19 13.12 0.00 -0.42 -5.02 105.19 118.75 3kjs n GLY 267 Ca -0.17 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 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 1.10 -0.14 4.61 0.00 -0.83 -5.00 121.76 121.50 3kjs s ALA 268 Ca 0.00 -1.58 -0.09 0.00 0.00 0.00 0.00 51.96 50.29 3kjs s ALA 268 Cb 0.00 0.92 0.05 0.00 0.00 0.00 0.00 23.12 24.09 3kjs s ALA 268 CO 0.00 -0.47 0.35 -1.14 0.00 0.00 0.00 175.76 174.50 3kjs s GLN 269 N -4.04 0.35 0.21 0.00 0.74 -1.26 -1.23 119.66 114.42 3kjs s GLN 269 Ca 0.28 0.63 0.08 0.00 0.05 0.00 0.00 55.36 56.41 3kjs s GLN 269 Cb 0.07 0.01 -0.05 0.00 1.10 0.00 0.00 33.01 34.15 3kjs s GLN 269 CO 0.05 -0.13 -0.15 -1.64 -0.55 0.00 0.00 175.29 172.87 3kjs s MET 270 N 1.01 1.36 -0.02 1.67 -1.94 -0.05 -4.98 119.30 116.37 3kjs s MET 270 Ca -0.07 -1.60 0.03 0.00 -1.71 0.00 0.00 55.69 52.33 3kjs s MET 270 Cb -0.07 -1.19 -0.00 0.00 2.01 0.00 0.00 34.83 35.58 3kjs s MET 270 CO -0.08 0.20 -0.09 0.50 -0.01 0.00 0.00 175.02 175.55 3kjs s ARG 271 N -3.61 0.84 -0.05 2.03 3.52 -1.26 -0.41 118.95 120.01 3kjs s ARG 271 Ca 0.23 -0.31 -0.00 0.00 -0.13 0.00 0.00 55.73 55.52 3kjs s ARG 271 Cb -0.01 -0.80 0.03 0.00 -1.56 0.00 0.00 34.95 32.60 3kjs s ARG 271 CO 0.08 0.15 -0.00 -0.06 -0.81 0.00 0.00 175.30 174.65 3kjs s PHE 272 N 0.02 0.52 0.10 5.12 0.08 0.13 -4.85 117.98 119.11 3kjs s PHE 272 Ca -0.00 -0.09 -0.30 0.00 0.12 0.00 0.00 56.93 56.66 3kjs s PHE 272 Cb -0.06 -0.63 -0.06 0.00 -0.57 0.00 0.00 43.02 41.69 3kjs s PHE 272 CO 0.00 -0.23 1.18 0.45 -0.10 0.00 0.00 175.22 176.52 3kjs s SER 273 N 1.51 7.11 0.00 1.36 0.15 -1.26 0.53 113.70 123.10 3kjs s SER 273 Ca -0.02 2.05 0.09 0.00 0.70 0.00 0.00 55.95 58.77 3kjs s SER 273 Cb -0.13 -2.59 0.20 0.00 -1.71 0.00 0.00 66.02 61.79 3kjs s SER 273 CO -0.03 -0.41 1.08 0.18 1.20 0.00 0.00 173.24 175.26 3kjs n LEU 274 N 3.47 2.47 -4.77 3.45 4.77 0.18 -4.66 117.00 121.91 3kjs n LEU 274 Ca 0.07 -1.68 -0.40 0.00 -0.03 0.00 0.00 56.01 53.97 3kjs n LEU 274 Cb 0.46 -0.13 0.01 0.00 -2.33 0.00 0.00 43.42 41.43 3kjs n LEU 274 CO 0.55 0.59 1.07 -0.13 -1.33 0.00 0.00 177.39 178.14 3kjs s ARG 275 N -0.93 3.72 -1.34 3.23 0.52 -1.18 -3.73 118.95 119.25 3kjs s ARG 275 Ca 0.17 2.42 -0.06 0.00 -0.52 0.00 0.00 55.73 57.73 3kjs s ARG 275 Cb 0.09 -2.68 0.00 0.00 0.52 0.00 0.00 34.95 32.89 3kjs s ARG 275 CO 0.13 -0.79 0.50 0.09 0.02 0.00 0.00 175.30 175.25 3kjs n ASN 276 N -0.14 -1.53 0.00 0.23 3.02 -1.26 -2.04 115.26 113.54 3kjs n ASN 276 Ca 0.05 -1.03 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 3kjs n ASN 276 Cb 0.42 -3.03 0.00 0.00 -0.61 0.00 0.00 39.78 36.56 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 -2.88 0.00 -4.70 6.41 4.13 -1.24 -4.98 115.26 112.00 3kjs n ASN 277 Ca -0.26 0.00 -0.44 0.00 1.68 0.00 0.00 54.58 55.57 3kjs n ASN 277 Cb 0.66 -0.49 -0.02 0.00 -1.54 0.00 0.00 39.78 38.38 3kjs n ASN 277 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3kjs n ARG 278 N -2.00 2.26 -3.88 3.52 1.74 -0.86 -0.28 116.66 117.16 3kjs n ARG 278 Ca 0.00 0.80 -0.27 0.00 -0.77 0.00 0.00 57.85 57.61 3kjs n ARG 278 Cb 0.00 -2.50 -0.17 0.00 -1.02 0.00 0.00 32.46 28.77 3kjs n ARG 278 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3kjs s LEU 279 N -0.09 1.40 -1.42 0.55 2.96 -0.70 -4.54 118.68 116.84 3kjs s LEU 279 Ca 0.67 -0.52 -0.13 0.00 -0.22 0.00 0.00 54.13 53.93 3kjs s LEU 279 Cb -0.60 -0.85 -0.03 0.00 0.50 0.00 0.00 46.19 45.21 3kjs s LEU 279 CO 0.49 -0.17 2.44 -0.81 -1.32 0.00 0.00 176.35 176.98 3kjs n PRO 280 N 4.92 2.96 -2.90 0.98 -0.04 -1.26 -3.56 135.00 136.09 3kjs n PRO 280 Ca -0.12 -2.33 -0.42 0.00 -0.04 0.00 0.00 63.50 60.59 3kjs n PRO 280 Cb 0.49 -3.04 -0.05 0.00 -0.04 0.00 0.00 33.50 30.86 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 1.31 4.07 0.39 1.53 1.43 -1.26 -4.32 118.68 121.83 3kjs s LEU 281 Ca 0.55 0.74 -0.27 0.00 -1.03 0.00 0.00 54.13 54.12 3kjs s LEU 281 Cb 0.15 -3.14 -0.11 0.00 0.03 0.00 0.00 46.19 43.13 3kjs s LEU 281 CO -0.06 -0.63 1.39 0.18 0.23 0.00 0.00 176.35 177.45 3kjs n LEU 282 N 6.26 4.39 -0.07 1.79 4.32 -1.26 -4.62 117.00 127.80 3kjs n LEU 282 Ca 0.05 1.18 -0.04 0.00 -0.02 0.00 0.00 56.01 57.18 3kjs n LEU 282 Cb 0.48 -1.56 -0.15 0.00 -1.62 0.00 0.00 43.42 40.56 3kjs n LEU 282 CO 0.51 -0.21 -1.02 0.35 -1.22 0.00 0.00 177.39 175.80 3kjs n THR 283 N 0.18 0.95 0.31 -5.08 -2.24 -1.26 -4.33 114.28 102.81 3kjs n THR 283 Ca 0.04 -0.72 0.16 0.00 -2.27 0.00 0.00 64.05 61.26 3kjs n THR 283 Cb 0.39 -0.34 0.63 0.00 -2.10 0.00 0.00 70.33 68.91 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 -2.87 4.28 1.35 -1.92 0.16 112.91 113.91 3kjs h THR 284 Ca -0.38 -0.45 -0.15 0.00 -0.55 0.00 0.00 66.41 64.88 3kjs h THR 284 Cb 1.84 1.39 -0.27 0.00 -1.73 0.00 0.00 68.15 69.38 3kjs h THR 284 CO 0.02 0.00 -0.37 -0.75 -0.25 0.00 0.00 175.52 174.17 3kjs s LYS 285 N -3.58 0.33 0.15 4.72 2.20 -1.26 -4.71 119.74 117.59 3kjs s LYS 285 Ca 0.02 0.59 -0.31 0.00 -0.36 0.00 0.00 55.97 55.91 3kjs s LYS 285 Cb 0.09 0.02 -0.11 0.00 -1.51 0.00 0.00 37.83 36.32 3kjs s LYS 285 CO 0.51 -0.12 1.74 0.50 -0.36 0.00 0.00 175.35 177.62 3kjs s ARG 286 N 0.94 4.15 -0.04 4.03 3.52 -1.26 -4.63 118.95 125.66 3kjs s ARG 286 Ca -0.06 2.54 -0.14 0.00 -0.13 0.00 0.00 55.73 57.94 3kjs s ARG 286 Cb -0.07 -3.36 -0.05 0.00 -1.56 0.00 0.00 34.95 29.91 3kjs s ARG 286 CO -0.07 -0.77 0.37 0.08 -0.81 0.00 0.00 175.30 174.10 3kjs s VAL 287 N 2.00 5.13 -1.17 7.11 1.01 -1.26 -5.01 120.40 128.20 3kjs s VAL 287 Ca 0.77 0.74 -0.20 0.00 0.00 0.00 0.00 61.98 63.28 3kjs s VAL 287 Cb -0.46 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 3kjs s VAL 287 CO 0.34 0.55 1.91 0.33 0.00 0.00 0.00 175.10 178.22 3kjs n PHE 288 N 2.15 3.21 -0.24 5.22 7.35 -1.26 -4.81 117.46 129.07 3kjs n PHE 288 Ca -0.14 -2.09 -0.00 0.00 -0.76 0.00 0.00 57.45 54.45 3kjs n PHE 288 Cb 0.53 -2.45 0.11 0.00 0.35 0.00 0.00 39.48 38.02 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 8.33 0.70 -0.74 -5.13 2.91 -1.99 -1.50 115.95 118.53 3kjs h TRP 289 Ca 0.36 0.03 0.04 0.00 1.13 0.00 0.00 58.89 60.45 3kjs h TRP 289 Cb 0.83 -0.21 -0.05 0.00 -0.51 0.00 0.00 29.16 29.22 3kjs h TRP 289 CO 1.31 0.31 0.46 -0.09 -1.03 0.00 0.00 178.44 179.40 3kjs h ARG 290 N 0.69 0.86 -0.16 2.65 2.43 -1.99 0.24 114.38 119.10 3kjs h ARG 290 Ca 0.32 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.44 3kjs h ARG 290 Cb 0.24 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3kjs h ARG 290 CO -0.21 0.57 0.10 0.78 -1.51 0.00 0.00 179.97 179.70 3kjs h GLY 291 N 0.88 0.23 0.35 2.80 0.00 -1.82 -0.32 103.07 105.19 3kjs h GLY 291 Ca 0.30 -0.09 0.07 0.00 0.00 0.00 0.00 47.33 47.61 3kjs h GLY 291 CO -0.13 0.09 -0.05 -2.08 0.00 0.00 0.00 176.54 174.37 3kjs h VAL 292 N 0.19 0.68 -0.16 4.60 2.07 -0.27 -1.27 116.25 122.09 3kjs h VAL 292 Ca 0.06 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 3kjs h VAL 292 Cb 0.01 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3kjs h VAL 292 CO -0.01 0.01 -0.01 0.00 0.02 0.00 0.00 177.57 177.57 3kjs h GLU 294 N 0.02 0.97 -0.53 0.00 4.39 -0.91 -2.43 114.58 116.08 3kjs h GLU 294 Ca 0.04 -0.10 -0.12 0.00 0.34 0.00 0.00 59.36 59.53 3kjs h GLU 294 Cb 0.41 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 3kjs h GLU 294 CO 0.01 0.70 -0.14 1.49 -1.16 0.00 0.00 179.01 179.91 3kjs h GLU 295 N 0.97 1.03 -0.30 2.33 4.81 -1.13 -1.61 114.58 120.68 3kjs h GLU 295 Ca 0.25 -0.40 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 3kjs h GLU 295 Cb -0.01 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3kjs h GLU 295 CO -0.05 1.09 0.07 1.25 -0.73 0.00 0.00 179.01 180.64 3kjs h LEU 296 N 0.91 0.45 -0.74 1.64 5.85 -1.13 0.19 115.31 122.49 3kjs h LEU 296 Ca 0.13 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.64 3kjs h LEU 296 Cb 0.72 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 3kjs h LEU 296 CO 0.06 0.57 0.48 -0.07 -0.34 0.00 0.00 178.44 179.13 3kjs h LEU 297 N 0.32 0.80 -0.63 2.25 3.38 -1.40 0.10 115.31 120.14 3kjs h LEU 297 Ca 0.09 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.09 3kjs h LEU 297 Cb 0.30 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 3kjs h LEU 297 CO 0.00 0.57 0.37 -0.25 0.09 0.00 0.00 178.44 179.22 3kjs h TRP 298 N 0.95 0.69 0.23 1.13 7.01 -1.06 -0.72 115.95 124.19 3kjs h TRP 298 Ca 0.29 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.30 3kjs h TRP 298 Cb -0.04 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 26.79 3kjs h TRP 298 CO -0.03 0.37 -0.17 0.74 -2.79 0.00 0.00 178.44 176.57 3kjs h PHE 299 N 0.72 -0.44 -0.29 2.65 0.04 0.30 -2.49 116.94 117.42 3kjs h PHE 299 Ca 0.26 -0.00 0.06 0.00 2.80 0.00 0.00 57.97 61.09 3kjs h PHE 299 Cb 0.07 0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.37 3kjs h PHE 299 CO -0.06 -0.26 0.20 -0.07 -0.60 0.00 0.00 178.31 177.52 3kjs h LEU 300 N -0.40 0.11 0.00 1.54 3.38 -0.44 0.11 115.31 119.60 3kjs h LEU 300 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3kjs h LEU 300 Cb 0.35 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3kjs h LEU 300 CO 0.00 0.07 0.00 0.54 0.09 0.00 0.00 178.44 179.15 3kjs n ARG 301 N -4.48 0.26 -2.40 1.13 1.74 -0.31 -4.89 116.66 107.72 3kjs n ARG 301 Ca 0.03 0.07 -0.08 0.00 -0.77 0.00 0.00 57.85 57.10 3kjs n ARG 301 Cb 0.28 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.22 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 0.80 0.20 3.84 -0.13 0.00 0.37 -5.01 105.19 105.26 3kjs n GLY 302 Ca 0.10 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 3kjs n GLY 302 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kjs s GLU 303 N -4.74 4.02 0.00 1.61 2.56 -0.95 -4.19 118.70 117.01 3kjs s GLU 303 Ca 0.07 0.86 0.00 0.00 0.00 0.00 0.00 54.97 55.90 3kjs s GLU 303 Cb -0.03 -2.26 0.00 0.00 2.00 0.00 0.00 34.13 33.84 3kjs s GLU 303 CO 0.09 -0.06 0.05 0.25 -0.56 0.00 0.00 175.26 175.03 3kjs n THR 304 N -0.97 0.00 -3.26 -1.70 -2.24 -1.26 -4.29 114.28 100.56 3kjs n THR 304 Ca 0.05 -0.10 -0.43 0.00 -2.27 0.00 0.00 64.05 61.30 3kjs n THR 304 Cb 0.54 1.43 -0.08 0.00 -2.10 0.00 0.00 70.33 70.12 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 -0.09 3.14 -0.70 4.78 5.04 -1.26 -2.14 117.35 126.12 3kjs s TYR 305 Ca 0.00 -0.31 0.26 0.00 -2.44 0.00 0.00 57.07 54.58 3kjs s TYR 305 Cb 0.00 -3.04 0.87 0.00 0.35 0.00 0.00 41.96 40.14 3kjs s TYR 305 CO 0.00 -0.76 1.77 0.00 -1.34 0.00 0.00 175.55 175.22 3kjs n ALA 306 N 5.79 2.15 0.28 3.97 0.00 0.73 -2.58 120.51 130.84 3kjs n ALA 306 Ca -0.06 -0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.50 3kjs n ALA 306 Cb 0.47 -1.45 0.80 0.00 0.00 0.00 0.00 19.45 19.27 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 -0.79 116.57 117.51 3kjs h LYS 307 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3kjs h LYS 307 Cb 0.64 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.46 3kjs h LYS 307 CO 0.00 0.04 -0.17 0.87 -2.27 0.00 0.00 179.45 177.91 3kjs h LYS 308 N 0.00 0.00 0.13 1.90 1.57 -1.88 -0.38 116.57 117.91 3kjs h LYS 308 Ca -0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 3kjs h LYS 308 Cb 0.08 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.40 3kjs h LYS 308 CO 0.00 0.17 -0.99 -0.07 -0.57 0.00 0.00 179.45 178.00 3kjs h LEU 309 N 0.00 0.42 -1.47 2.94 3.38 -1.37 -3.33 115.31 115.88 3kjs h LEU 309 Ca -0.00 -0.91 -0.06 0.00 0.09 0.00 0.00 57.88 57.00 3kjs h LEU 309 Cb 0.31 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3kjs h LEU 309 CO 0.02 1.46 -0.27 0.77 0.09 0.00 0.00 178.44 180.51 3kjs h SER 310 N -0.38 0.00 0.32 -0.43 4.64 -0.97 -0.42 113.55 116.30 3kjs h SER 310 Ca -0.19 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.10 3kjs h SER 310 Cb 1.66 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.74 3kjs h SER 310 CO 0.11 0.27 -0.14 0.44 -0.87 0.00 0.00 176.83 176.64 3kjs h ASP 311 N 0.00 0.00 -0.58 4.97 3.32 -1.21 -2.37 116.42 120.55 3kjs h ASP 311 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kjs h ASP 311 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3kjs h ASP 311 CO 0.04 0.14 0.00 0.29 -1.72 0.00 0.00 179.24 177.99 3kjs n LYS 312 N -3.81 4.55 -1.19 3.56 5.02 -0.46 -4.92 118.16 120.91 3kjs n LYS 312 Ca -0.02 -3.01 -0.06 0.00 -2.02 0.00 0.00 58.31 53.20 3kjs n LYS 312 Cb 0.24 -2.17 -0.03 0.00 -0.02 0.00 0.00 35.03 33.06 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 0.73 0.87 3.22 0.72 0.00 -0.89 -5.00 105.19 104.83 3kjs n GLY 313 Ca 0.27 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.22 3.95 -0.98 1.61 1.01 -0.29 -4.96 120.40 118.52 3kjs s VAL 314 Ca 0.00 -1.63 0.17 0.00 0.00 0.00 0.00 61.98 60.52 3kjs s VAL 314 Cb 0.00 -3.51 0.63 0.00 0.00 0.00 0.00 36.38 33.50 3kjs s VAL 314 CO 0.00 -0.58 1.54 1.41 0.00 0.00 0.00 175.10 177.47 3kjs n HIS 315 N 4.83 1.23 0.30 5.22 8.25 -1.26 -2.40 115.22 131.39 3kjs n HIS 315 Ca -0.08 -0.63 0.17 0.00 -0.26 0.00 0.00 57.72 56.92 3kjs n HIS 315 Cb 0.42 -0.21 0.92 0.00 1.12 0.00 0.00 29.99 32.23 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 3.43 0.32 -0.02 1.59 3.07 -1.95 -2.41 117.51 121.54 3kjs h ILE 316 Ca 0.00 -0.25 0.00 0.00 1.55 0.00 0.00 64.86 66.16 3kjs h ILE 316 Cb 1.33 1.18 0.00 0.00 -0.27 0.00 0.00 36.82 39.06 3kjs h ILE 316 CO 0.19 0.04 -0.15 0.79 -1.05 0.00 0.00 178.15 177.97 3kjs n TRP 317 N -3.45 0.00 -0.24 0.16 7.02 -1.26 -4.63 117.44 115.04 3kjs n TRP 317 Ca -0.02 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.42 3kjs n TRP 317 Cb 0.16 0.00 0.08 0.00 -2.42 0.00 0.00 31.31 29.13 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 3.28 0.69 -0.06 -0.99 5.19 -1.76 -1.35 116.42 121.41 3kjs h ASP 318 Ca 0.00 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.32 3kjs h ASP 318 Cb 0.77 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.12 3kjs h ASP 318 CO 0.00 0.47 -0.24 0.44 -3.12 0.00 0.00 179.24 176.80 3kjs h ASP 319 N 0.82 0.48 0.25 6.45 3.32 -1.82 -2.72 116.42 123.21 3kjs h ASP 319 Ca 0.28 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3kjs h ASP 319 Cb 0.03 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.45 3kjs h ASP 319 CO -0.11 0.72 -0.09 0.59 -1.72 0.00 0.00 179.24 178.62 3kjs n ASN 320 N -4.13 0.63 -0.16 6.45 3.02 -0.94 -4.01 115.26 116.12 3kjs n ASN 320 Ca -0.00 -0.80 0.03 0.00 -0.03 0.00 0.00 54.58 53.78 3kjs n ASN 320 Cb 0.40 -0.03 0.01 0.00 -0.61 0.00 0.00 39.78 39.54 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 1.24 -0.37 3.76 7.41 0.00 -0.55 -4.58 105.19 112.09 3kjs n GLY 321 Ca 0.16 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.88 4.71 0.21 1.61 1.04 -1.05 -0.32 113.70 119.01 3kjs s SER 322 Ca 0.05 2.05 -0.11 0.00 0.48 0.00 0.00 55.95 58.42 3kjs s SER 322 Cb 0.05 -2.55 0.30 0.00 0.10 0.00 0.00 66.02 63.91 3kjs s SER 322 CO 0.13 -1.90 1.66 -0.09 0.98 0.00 0.00 173.24 174.02 3kjs h ARG 323 N -0.33 0.11 -0.19 4.02 9.65 -1.95 -0.97 114.38 124.72 3kjs h ARG 323 Ca -0.46 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.42 3kjs h ARG 323 Cb 1.25 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.80 3kjs h ARG 323 CO 0.52 0.07 0.11 0.00 2.80 0.00 0.00 179.97 183.47 3kjs h ALA 324 N 1.57 0.23 -0.30 2.80 0.00 -1.96 -1.07 119.26 120.53 3kjs h ALA 324 Ca 0.32 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 3kjs h ALA 324 Cb 0.52 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3kjs h ALA 324 CO -0.53 -0.31 -0.03 0.35 0.00 0.00 0.00 179.25 178.73 3kjs h PHE 325 N 0.23 0.61 -0.59 0.00 3.57 -1.69 -0.74 116.94 118.33 3kjs h PHE 325 Ca 0.07 -0.12 0.02 0.00 3.53 0.00 0.00 57.97 61.48 3kjs h PHE 325 Cb -0.01 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.54 3kjs h PHE 325 CO -0.08 0.71 0.37 -0.07 -2.23 0.00 0.00 178.31 177.01 3kjs h LEU 326 N 0.33 0.60 -1.55 0.59 3.38 -1.15 -1.20 115.31 116.31 3kjs h LEU 326 Ca 0.08 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.08 3kjs h LEU 326 Cb 0.49 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3kjs h LEU 326 CO 0.02 0.42 0.34 0.44 0.09 0.00 0.00 178.44 179.76 3kjs h ASP 327 N 0.73 0.51 0.80 -0.43 3.32 -1.03 -0.51 116.42 119.80 3kjs h ASP 327 Ca 0.24 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3kjs h ASP 327 Cb 0.01 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.44 3kjs h ASP 327 CO -0.09 0.35 0.00 -1.54 -1.72 0.00 0.00 179.24 176.24 3kjs n SER 328 N -4.47 0.00 -0.85 6.45 3.41 -0.30 -2.05 113.62 115.82 3kjs n SER 328 Ca 0.06 0.46 0.07 0.00 -0.26 0.00 0.00 58.87 59.20 3kjs n SER 328 Cb 0.15 -0.48 0.21 0.00 -0.26 0.00 0.00 64.21 63.82 3kjs n SER 328 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3kjs n ARG 329 N -1.48 2.95 -0.99 4.33 5.12 -0.72 -4.97 116.66 120.90 3kjs n ARG 329 Ca 0.06 -2.32 0.00 0.00 -1.93 0.00 0.00 57.85 53.66 3kjs n ARG 329 Cb 0.27 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 30.13 3kjs n ARG 329 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kjs n GLY 330 N 0.55 0.49 2.67 -0.13 0.00 -0.87 -4.94 105.19 102.95 3kjs n GLY 330 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 7.39 0.17 0.99 4.77 -0.28 -4.72 117.00 125.32 3kjs n LEU 331 Ca 0.00 -5.05 0.13 0.00 -0.03 0.00 0.00 56.01 51.06 3kjs n LEU 331 Cb 0.06 -1.31 0.42 0.00 -2.33 0.00 0.00 43.42 40.27 3kjs n LEU 331 CO 0.00 1.90 0.88 0.71 -1.33 0.00 0.00 177.39 179.55 3kjs h THR 332 N 2.78 0.00 0.00 -5.08 1.35 -1.88 -3.09 112.91 106.99 3kjs h THR 332 Ca 0.53 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 3kjs h THR 332 Cb 0.40 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 3kjs h THR 332 CO 1.39 0.00 -0.49 1.05 -0.25 0.00 0.00 175.52 177.22 3kjs h GLU 333 N 0.00 0.00 -6.70 4.72 4.11 -1.95 -3.47 114.58 111.29 3kjs h GLU 333 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.36 58.93 3kjs h GLU 333 Cb 0.67 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3kjs h GLU 333 CO 0.00 0.00 0.41 0.71 0.07 0.00 0.00 179.01 180.20 3kjs s TYR 334 N -3.22 3.77 0.66 2.06 2.02 -1.17 -5.04 117.35 116.43 3kjs s TYR 334 Ca 0.05 1.77 -0.16 0.00 -0.37 0.00 0.00 57.07 58.36 3kjs s TYR 334 Cb 0.10 -3.13 0.00 0.00 -0.40 0.00 0.00 41.96 38.53 3kjs s TYR 334 CO 0.71 -0.07 1.18 -2.00 -1.57 0.00 0.00 175.55 173.80 3kjs s GLU 335 N -0.79 2.59 0.30 -0.62 2.12 -1.26 -4.93 118.70 116.11 3kjs s GLU 335 Ca 0.45 1.69 -0.28 0.00 0.36 0.00 0.00 54.97 57.19 3kjs s GLU 335 Cb -0.28 -1.90 -0.14 0.00 0.26 0.00 0.00 34.13 32.08 3kjs s GLU 335 CO 0.34 -1.47 1.10 0.39 -0.54 0.00 0.00 175.26 175.08 3kjs n GLU 336 N -2.25 1.59 -0.80 4.30 1.02 -1.26 -1.61 120.64 121.63 3kjs n GLU 336 Ca 0.13 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 57.82 3kjs n GLU 336 Cb 0.50 -1.99 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 3kjs n GLU 336 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3kjs n MET 337 N 0.71 0.00 -2.83 3.49 2.81 0.56 -4.90 117.12 116.96 3kjs n MET 337 Ca 0.08 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.54 3kjs n MET 337 Cb 0.33 -3.05 -0.04 0.00 -0.71 0.00 0.00 33.22 29.75 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 -2.74 6.41 0.00 7.83 -1.08 -0.63 -0.19 116.67 126.26 3kjs s ASP 338 Ca 0.00 -0.15 0.26 0.00 -0.52 0.00 0.00 52.55 52.15 3kjs s ASP 338 Cb 0.00 -2.44 0.78 0.00 -1.46 0.00 0.00 42.92 39.80 3kjs s ASP 338 CO 0.00 -1.15 1.59 0.18 0.52 0.00 0.00 175.17 176.31 3kjs n LEU 339 N 7.33 0.57 0.00 -1.34 4.77 -0.91 -4.77 117.00 122.64 3kjs n LEU 339 Ca 0.04 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3kjs n LEU 339 Cb 0.48 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3kjs n LEU 339 CO 0.64 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 3kjs n GLY 340 N 1.42 -2.34 2.40 -0.72 0.00 -1.26 -0.11 105.19 104.58 3kjs n GLY 340 Ca 0.09 -1.64 -0.16 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.29 1.80 -1.73 1.61 -0.04 -1.26 -4.81 135.00 130.27 3kjs n PRO 341 Ca 0.00 -1.12 -0.31 0.00 -0.04 0.00 0.00 63.50 62.03 3kjs n PRO 341 Cb 0.00 -2.18 0.04 0.00 -0.04 0.00 0.00 33.50 31.32 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 2.59 4.03 0.00 0.52 -7.23 -1.26 -4.33 120.40 114.72 3kjs s VAL 342 Ca 0.42 0.66 0.00 0.00 -1.81 0.00 0.00 61.98 61.25 3kjs s VAL 342 Cb 0.15 -3.54 0.00 0.00 0.56 0.00 0.00 36.38 33.55 3kjs s VAL 342 CO -0.02 -0.86 0.00 -1.22 -0.31 0.00 0.00 175.10 172.69 3kjs n TYR 343 N -3.02 0.00 0.08 2.82 4.01 -1.26 -0.50 117.16 119.29 3kjs n TYR 343 Ca 0.07 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 58.00 3kjs n TYR 343 Cb 0.55 0.00 0.73 0.00 -0.31 0.00 0.00 39.34 40.31 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 0.00 1.00 2.72 0.00 -1.81 0.14 103.07 105.11 3kjs h GLY 344 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kjs h GLY 344 CO 0.00 0.00 0.35 -2.75 0.00 0.00 0.00 176.54 174.14 3kjs h PHE 345 N 0.00 0.77 -0.25 5.60 3.04 -0.96 -1.29 116.94 123.85 3kjs h PHE 345 Ca 0.19 -0.00 -0.11 0.00 3.98 0.00 0.00 57.97 62.02 3kjs h PHE 345 Cb 0.84 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 39.09 3kjs h PHE 345 CO 0.00 0.53 -0.32 1.96 -2.02 0.00 0.00 178.31 178.46 3kjs h GLN 346 N 0.79 0.52 -0.96 1.11 1.08 -0.82 0.81 115.11 117.64 3kjs h GLN 346 Ca 0.21 -0.23 0.01 0.00 -1.45 0.00 0.00 58.65 57.19 3kjs h GLN 346 Cb -0.01 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.36 3kjs h GLN 346 CO -0.04 0.78 0.64 -1.49 -0.95 0.00 0.00 178.83 177.77 3kjs h TRP 347 N 0.45 1.20 0.00 2.96 4.06 -1.04 -2.44 115.95 121.14 3kjs h TRP 347 Ca 0.05 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.03 3kjs h TRP 347 Cb 0.78 -0.41 0.00 0.00 -1.00 0.00 0.00 29.16 28.53 3kjs h TRP 347 CO 0.03 0.76 -1.70 0.54 -3.56 0.00 0.00 178.44 174.51 3kjs n ARG 348 N -4.42 0.49 -2.75 0.49 5.12 -0.52 -1.06 116.66 114.03 3kjs n ARG 348 Ca 0.11 -0.14 -0.04 0.00 -1.93 0.00 0.00 57.85 55.85 3kjs n ARG 348 Cb 0.01 -1.37 0.06 0.00 -1.16 0.00 0.00 32.46 30.00 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 -2.03 0.57 -1.63 -1.55 8.25 0.28 -3.58 115.22 115.53 3kjs n HIS 349 Ca -0.03 -2.31 -0.49 0.00 -0.26 0.00 0.00 57.72 54.63 3kjs n HIS 349 Cb 0.40 0.05 -0.05 0.00 1.12 0.00 0.00 29.99 31.51 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 -0.51 1.90 -0.99 4.41 -0.00 -0.58 -1.66 117.46 120.03 3kjs n PHE 350 Ca 0.04 0.45 0.00 0.00 -0.00 0.00 0.00 57.45 57.94 3kjs n PHE 350 Cb 0.82 -2.44 0.00 0.00 -0.00 0.00 0.00 39.48 37.86 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 3.03 0.92 3.77 7.13 0.00 -1.26 -1.16 105.19 117.62 3kjs n GLY 351 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.71 3.29 0.21 4.61 0.00 -0.66 -4.88 121.76 120.62 3kjs s ALA 352 Ca 0.00 0.82 -0.30 0.00 0.00 0.00 0.00 51.96 52.48 3kjs s ALA 352 Cb 0.00 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 3kjs s ALA 352 CO 0.00 -0.17 1.42 0.00 0.00 0.00 0.00 175.76 177.01 3kjs s ALA 353 N -1.33 3.62 -0.13 0.00 0.00 -1.26 -5.01 121.76 117.65 3kjs s ALA 353 Ca 0.49 1.25 -0.04 0.00 0.00 0.00 0.00 51.96 53.66 3kjs s ALA 353 Cb -0.28 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.25 3kjs s ALA 353 CO 0.36 -0.68 0.03 -0.47 0.00 0.00 0.00 175.76 175.00 3kjs s TYR 354 N 0.35 3.22 0.00 0.00 5.04 -1.26 -5.01 117.35 119.69 3kjs s TYR 354 Ca 0.61 0.11 0.00 0.00 -2.44 0.00 0.00 57.07 55.35 3kjs s TYR 354 Cb -0.40 -1.92 0.00 0.00 0.35 0.00 0.00 41.96 39.98 3kjs s TYR 354 CO 0.38 0.32 0.00 0.25 -1.34 0.00 0.00 175.55 175.16 3kjs n THR 355 N 2.79 0.00 -4.15 4.34 -2.24 -1.26 -5.07 114.28 108.69 3kjs n THR 355 Ca -0.18 0.13 -0.10 0.00 -2.27 0.00 0.00 64.05 61.62 3kjs n THR 355 Cb 0.53 -1.04 -0.10 0.00 -2.10 0.00 0.00 70.33 67.62 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 -0.75 0.92 0.42 4.78 3.76 -1.26 -4.98 115.29 118.18 3kjs s HIS 356 Ca 0.00 -1.24 0.22 0.00 -0.15 0.00 0.00 55.06 53.90 3kjs s HIS 356 Cb 0.00 -0.46 1.25 0.00 1.11 0.00 0.00 32.58 34.48 3kjs s HIS 356 CO 0.00 -0.59 2.02 1.12 -0.85 0.00 0.00 174.74 176.44 3kjs h HIS 357 N 2.73 0.00 -0.20 1.40 2.07 -1.97 -3.01 115.15 116.17 3kjs h HIS 357 Ca -0.35 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.11 3kjs h HIS 357 Cb 1.22 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.19 3kjs h HIS 357 CO 0.40 0.16 -0.13 -0.44 -3.07 0.00 0.00 177.93 174.85 3kjs h ASP 358 N 0.00 0.31 -4.13 3.10 5.19 -2.01 -3.47 116.42 115.41 3kjs h ASP 358 Ca -0.00 -0.07 -0.51 0.00 -0.62 0.00 0.00 57.03 55.83 3kjs h ASP 358 Cb 0.37 -0.08 0.20 0.00 0.18 0.00 0.00 39.33 40.00 3kjs h ASP 358 CO 0.02 0.47 0.19 0.00 -3.12 0.00 0.00 179.24 176.80 3kjs s ALA 359 N -4.72 1.17 -0.36 3.45 0.00 -1.14 -4.96 121.76 115.21 3kjs s ALA 359 Ca -0.06 0.51 -0.22 0.00 0.00 0.00 0.00 51.96 52.19 3kjs s ALA 359 Cb 0.15 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.85 3kjs s ALA 359 CO 0.75 -2.95 0.70 1.21 0.00 0.00 0.00 175.76 175.47 3kjs s ASN 360 N -2.62 6.48 0.00 0.00 3.04 -1.26 -4.92 114.94 115.67 3kjs s ASN 360 Ca 0.67 0.25 0.10 0.00 0.04 0.00 0.00 52.86 53.92 3kjs s ASN 360 Cb -0.23 -2.36 0.20 0.00 -1.54 0.00 0.00 41.25 37.32 3kjs s ASN 360 CO 0.59 -0.65 1.08 -1.22 -3.04 0.00 0.00 177.10 173.86 3kjs n TYR 361 N 6.19 0.26 -1.70 0.43 4.01 -1.26 -4.99 117.16 120.11 3kjs n TYR 361 Ca 0.01 -0.31 -0.59 0.00 -0.16 0.00 0.00 57.90 56.85 3kjs n TYR 361 Cb 0.48 -0.02 -0.08 0.00 -0.31 0.00 0.00 39.34 39.42 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 0.47 2.21 0.00 7.72 8.00 -1.26 -1.05 116.55 132.64 3kjs n ASP 362 Ca 0.09 1.06 0.00 0.00 0.71 0.00 0.00 54.79 56.65 3kjs n ASP 362 Cb 0.35 -1.10 0.00 0.00 -0.02 0.00 0.00 41.12 40.34 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 4.32 0.37 3.81 0.44 0.00 -1.26 -5.01 105.19 107.85 3kjs n GLY 363 Ca 0.28 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.61 4.03 1.48 1.61 -1.52 -0.22 -4.96 119.66 119.47 3kjs s GLN 364 Ca 0.00 0.43 0.00 0.00 -1.95 0.00 0.00 55.36 53.84 3kjs s GLN 364 Cb 0.00 -3.27 0.00 0.00 -0.22 0.00 0.00 33.01 29.52 3kjs s GLN 364 CO 0.00 0.57 0.00 0.41 -0.25 0.00 0.00 175.29 176.02 3kjs n GLY 365 N 2.13 -1.53 3.65 3.09 0.00 -1.26 -4.37 105.19 106.90 3kjs n GLY 365 Ca -0.12 -1.22 -0.39 0.00 0.00 0.00 0.00 46.02 44.29 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 0.00 5.18 -0.78 1.61 1.01 -0.31 -4.71 120.40 122.41 3kjs s VAL 366 Ca 0.00 0.68 -0.23 0.00 0.00 0.00 0.00 61.98 62.43 3kjs s VAL 366 Cb 0.00 -3.73 0.07 0.00 0.00 0.00 0.00 36.38 32.72 3kjs s VAL 366 CO 0.00 0.21 1.13 -0.62 0.00 0.00 0.00 175.10 175.82 3kjs s ASP 367 N 1.24 6.30 0.12 3.32 -1.08 -1.23 -1.53 116.67 123.80 3kjs s ASP 367 Ca 0.18 -1.13 -0.09 0.00 -0.52 0.00 0.00 52.55 51.00 3kjs s ASP 367 Cb -0.15 -2.47 -0.12 0.00 -1.46 0.00 0.00 42.92 38.72 3kjs s ASP 367 CO 0.08 -1.47 1.30 1.56 0.52 0.00 0.00 175.17 177.16 3kjs h GLN 368 N 9.57 0.61 -0.49 4.34 4.20 -1.35 -2.91 115.11 129.09 3kjs h GLN 368 Ca -0.14 -0.57 -0.05 0.00 0.06 0.00 0.00 58.65 57.95 3kjs h GLN 368 Cb 1.05 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.95 3kjs h GLN 368 CO 1.22 1.19 0.11 0.82 -0.67 0.00 0.00 178.83 181.50 3kjs h ILE 369 N 0.38 1.24 -0.60 2.54 1.08 -1.87 -2.04 117.51 118.24 3kjs h ILE 369 Ca -0.07 -0.85 -0.04 0.00 -0.39 0.00 0.00 64.86 63.51 3kjs h ILE 369 Cb 1.50 0.86 -0.03 0.00 -3.07 0.00 0.00 36.82 36.09 3kjs h ILE 369 CO 0.17 0.30 0.22 0.50 -0.69 0.00 0.00 178.15 178.65 3kjs h LYS 370 N 0.66 0.92 -0.39 2.37 3.64 -1.88 -1.75 116.57 120.14 3kjs h LYS 370 Ca 0.15 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3kjs h LYS 370 Cb 0.33 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3kjs h LYS 370 CO 0.00 0.80 0.17 0.00 -2.27 0.00 0.00 179.45 178.15 3kjs h ALA 371 N 1.08 0.51 -0.29 5.00 0.00 -1.35 -1.95 119.26 122.25 3kjs h ALA 371 Ca 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3kjs h ALA 371 Cb 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3kjs h ALA 371 CO -0.01 0.09 0.18 0.82 0.00 0.00 0.00 179.25 180.33 3kjs h ILE 372 N 0.49 1.09 -0.78 0.00 2.04 -1.28 -1.11 117.51 117.97 3kjs h ILE 372 Ca 0.13 -0.20 0.09 0.00 1.00 0.00 0.00 64.86 65.88 3kjs h ILE 372 Cb 0.16 0.71 -0.07 0.00 -0.74 0.00 0.00 36.82 36.88 3kjs h ILE 372 CO -0.01 0.09 0.43 0.58 0.00 0.00 0.00 178.15 179.23 3kjs h VAL 373 N 0.37 0.89 -0.17 1.67 2.07 -1.14 0.95 116.25 120.89 3kjs h VAL 373 Ca 0.10 -0.25 -0.18 0.00 0.82 0.00 0.00 66.70 67.20 3kjs h VAL 373 Cb -0.01 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 29.86 3kjs h VAL 373 CO -0.02 0.13 -0.62 -0.08 0.02 0.00 0.00 177.57 177.00 3kjs h GLU 374 N 0.72 0.58 -0.31 1.57 4.57 -1.10 -3.02 114.58 117.60 3kjs h GLU 374 Ca 0.38 -0.41 -0.13 0.00 -1.18 0.00 0.00 59.36 58.02 3kjs h GLU 374 Cb 0.36 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 3kjs h GLU 374 CO -0.25 1.02 -0.35 1.15 -1.18 0.00 0.00 179.01 179.40 3kjs h THR 375 N 0.43 1.29 -0.64 0.32 2.02 -0.53 -2.88 112.91 112.91 3kjs h THR 375 Ca -0.01 -1.51 -0.01 0.00 0.77 0.00 0.00 66.41 65.66 3kjs h THR 375 Cb 1.19 1.42 -0.03 0.00 -1.74 0.00 0.00 68.15 68.99 3kjs h THR 375 CO 0.12 0.49 0.37 -0.07 0.37 0.00 0.00 175.52 176.79 3kjs h LEU 376 N 0.59 0.78 -0.42 2.58 3.38 -0.80 0.46 115.31 121.87 3kjs h LEU 376 Ca 0.06 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 3kjs h LEU 376 Cb 0.88 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3kjs h LEU 376 CO 0.08 0.62 -0.79 0.11 0.09 0.00 0.00 178.44 178.55 3kjs h LYS 377 N 0.89 0.11 0.00 1.13 1.57 -1.45 -3.37 116.57 115.46 3kjs h LYS 377 Ca 0.23 -0.11 -0.33 0.00 -1.87 0.00 0.00 60.65 58.57 3kjs h LYS 377 Cb 0.00 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.28 3kjs h LYS 377 CO -0.04 0.84 -2.19 0.25 -0.57 0.00 0.00 179.45 177.75 3kjs n THR 378 N -3.68 1.18 -3.43 -0.16 -2.24 -1.02 -4.86 114.28 100.07 3kjs n THR 378 Ca -0.02 -0.39 -0.26 0.00 -2.27 0.00 0.00 64.05 61.10 3kjs n THR 378 Cb 0.75 -1.44 -0.09 0.00 -2.10 0.00 0.00 70.33 67.45 3kjs n THR 378 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3kjs n ASN 379 N -3.44 1.74 0.27 3.42 4.05 0.16 -4.97 115.26 116.49 3kjs n ASN 379 Ca -0.39 -2.97 0.15 0.00 0.45 0.00 0.00 54.58 51.81 3kjs n ASN 379 Cb 0.85 -0.66 0.76 0.00 1.23 0.00 0.00 39.78 41.97 3kjs n ASN 379 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 3kjs h PRO 380 N 4.59 0.00 0.00 1.20 0.11 -1.72 -2.06 132.00 134.12 3kjs h PRO 380 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3kjs h PRO 380 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 3kjs h PRO 380 CO 0.61 0.09 0.00 -0.25 -0.21 0.00 0.00 178.00 178.25 3kjs n ASP 381 N -3.45 0.00 -4.65 -2.05 8.00 -1.26 -4.15 116.55 109.00 3kjs n ASP 381 Ca -0.01 -0.33 -0.44 0.00 0.71 0.00 0.00 54.79 54.71 3kjs n ASP 381 Cb 0.24 -0.22 -0.02 0.00 -0.02 0.00 0.00 41.12 41.10 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 -1.22 2.15 -1.18 -2.24 2.03 -0.78 -4.92 116.55 110.39 3kjs n ASP 382 Ca 0.16 1.18 0.08 0.00 0.52 0.00 0.00 54.79 56.73 3kjs n ASP 382 Cb 0.21 -1.38 0.30 0.00 -0.72 0.00 0.00 41.12 39.52 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 1.05 3.49 -0.18 -0.67 1.74 -1.26 -4.45 116.66 116.38 3kjs n ARG 383 Ca 0.09 -2.86 0.06 0.00 -0.77 0.00 0.00 57.85 54.37 3kjs n ARG 383 Cb 0.33 -1.90 0.08 0.00 -1.02 0.00 0.00 32.46 29.95 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 0.01 1.03 -2.92 5.56 1.74 -1.26 -4.94 116.66 115.88 3kjs n ARG 384 Ca 0.22 -1.97 -0.44 0.00 -0.77 0.00 0.00 57.85 54.90 3kjs n ARG 384 Cb 0.93 -1.14 -0.00 0.00 -1.02 0.00 0.00 32.46 31.23 3kjs n ARG 384 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3kjs s MET 385 N -1.81 4.08 0.02 5.56 -1.94 -1.26 -4.93 119.30 119.03 3kjs s MET 385 Ca 0.19 -2.54 -0.05 0.00 -1.71 0.00 0.00 55.69 51.59 3kjs s MET 385 Cb 0.17 -5.10 -0.01 0.00 2.01 0.00 0.00 34.83 31.90 3kjs s MET 385 CO 0.02 -1.81 0.08 -0.48 -0.01 0.00 0.00 175.02 172.82 3kjs s LEU 386 N 1.79 1.84 0.17 -0.03 0.05 -1.26 -0.89 118.68 120.34 3kjs s LEU 386 Ca 0.44 -0.44 0.10 0.00 0.05 0.00 0.00 54.13 54.28 3kjs s LEU 386 Cb -0.02 0.51 -0.04 0.00 -2.05 0.00 0.00 46.19 44.58 3kjs s LEU 386 CO 0.01 -0.42 -0.21 0.72 -0.55 0.00 0.00 176.35 175.89 3kjs s PHE 387 N -2.01 2.03 0.07 3.48 -0.12 -0.72 -5.00 117.98 115.70 3kjs s PHE 387 Ca -0.10 -0.41 0.04 0.00 -0.05 0.00 0.00 56.93 56.40 3kjs s PHE 387 Cb -0.05 -1.02 -0.03 0.00 -0.63 0.00 0.00 43.02 41.29 3kjs s PHE 387 CO -0.02 0.38 -0.10 -0.08 -0.05 0.00 0.00 175.22 175.35 3kjs s THR 388 N -1.74 0.84 -0.89 -4.49 -1.32 -1.26 -1.72 115.64 105.06 3kjs s THR 388 Ca 0.16 -1.34 0.08 0.00 -1.21 0.00 0.00 61.69 59.38 3kjs s THR 388 Cb -0.07 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 69.96 3kjs s THR 388 CO 0.08 -0.40 0.69 0.00 -2.21 0.00 0.00 174.62 172.78 3kjs n ALA 389 N 1.09 2.53 -2.64 11.08 0.00 0.74 -4.33 120.51 128.98 3kjs n ALA 389 Ca -0.20 -0.52 -0.42 0.00 0.00 0.00 0.00 53.44 52.30 3kjs n ALA 389 Cb 0.56 -0.26 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 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 -0.74 2.61 -0.45 0.00 -0.11 -1.22 -4.76 118.94 114.26 3kjs s TRP 390 Ca 0.08 -0.81 0.03 0.00 1.22 0.00 0.00 56.10 56.62 3kjs s TRP 390 Cb 0.06 -4.59 0.12 0.00 -1.50 0.00 0.00 33.47 27.56 3kjs s TRP 390 CO 0.11 -1.86 0.19 1.21 -4.62 0.00 0.00 176.95 171.99 3kjs s ASN 391 N 4.49 4.62 0.45 5.86 3.84 -1.26 -4.99 114.94 127.95 3kjs s ASN 391 Ca 0.41 -2.62 0.23 0.00 0.21 0.00 0.00 52.86 51.09 3kjs s ASN 391 Cb -0.03 -1.67 1.23 0.00 -0.55 0.00 0.00 41.25 40.24 3kjs s ASN 391 CO -0.05 -0.32 1.84 -0.65 -2.79 0.00 0.00 177.10 175.13 3kjs h PRO 392 N 7.06 0.25 -0.82 0.43 0.11 -2.01 0.15 132.00 137.18 3kjs h PRO 392 Ca -0.06 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.00 3kjs h PRO 392 Cb 0.95 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.97 3kjs h PRO 392 CO 0.63 0.17 0.39 0.77 -0.21 0.00 0.00 178.00 179.75 3kjs h SER 393 N 0.26 1.08 0.54 -2.05 0.02 -2.01 -3.28 113.55 108.12 3kjs h SER 393 Ca 0.50 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 3kjs h SER 393 Cb 1.50 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.76 3kjs h SER 393 CO -0.15 0.92 -1.12 0.00 -1.14 0.00 0.00 176.83 175.34 3kjs n ALA 394 N -2.41 3.07 -0.22 3.77 0.00 0.39 -4.50 120.51 120.60 3kjs n ALA 394 Ca 0.08 -0.37 0.03 0.00 0.00 0.00 0.00 53.44 53.18 3kjs n ALA 394 Cb 0.14 -0.99 0.13 0.00 0.00 0.00 0.00 19.45 18.73 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 -0.26 -1.93 0.00 3.38 -1.19 0.12 115.31 115.43 3kjs h LEU 395 Ca 0.00 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3kjs h LEU 395 Cb 0.83 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3kjs h LEU 395 CO 0.00 -0.12 0.00 -0.65 0.09 0.00 0.00 178.44 177.76 3kjs h PRO 396 N 0.13 0.00 0.00 1.13 0.11 -1.80 -1.41 132.00 130.16 3kjs h PRO 396 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 3kjs h PRO 396 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.71 3kjs h PRO 396 CO -0.57 0.00 -0.62 0.54 -0.21 0.00 0.00 178.00 177.15 3kjs n ARG 397 N -2.59 0.24 -3.28 1.05 5.12 0.40 -4.91 116.66 112.70 3kjs n ARG 397 Ca -0.02 0.07 -0.36 0.00 -1.93 0.00 0.00 57.85 55.61 3kjs n ARG 397 Cb 0.08 -1.65 -0.06 0.00 -1.16 0.00 0.00 32.46 29.67 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 -3.14 4.07 0.48 5.56 -1.94 -0.53 -4.35 119.30 119.44 3kjs s MET 398 Ca 0.07 0.61 0.17 0.00 -1.71 0.00 0.00 55.69 54.83 3kjs s MET 398 Cb 0.14 -2.93 1.18 0.00 2.01 0.00 0.00 34.83 35.23 3kjs s MET 398 CO 0.72 0.46 2.04 0.00 -0.01 0.00 0.00 175.02 178.23 3kjs h ALA 399 N 3.56 2.10 -2.10 3.03 0.00 -0.81 -3.42 119.26 121.62 3kjs h ALA 399 Ca -0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3kjs h ALA 399 Cb 1.19 -0.04 -0.22 0.00 0.00 0.00 0.00 17.79 18.73 3kjs h ALA 399 CO 0.65 -0.19 -0.01 -1.17 0.00 0.00 0.00 179.25 178.53 3kjs s LEU 400 N -9.13 -0.79 0.54 0.00 2.96 -1.26 -4.98 118.68 106.02 3kjs s LEU 400 Ca -0.06 1.42 -0.19 0.00 -0.22 0.00 0.00 54.13 55.07 3kjs s LEU 400 Cb 0.19 2.25 -0.06 0.00 0.50 0.00 0.00 46.19 49.06 3kjs s LEU 400 CO 0.72 -0.23 1.12 -2.16 -1.32 0.00 0.00 176.35 174.48 3kjs s PRO 401 N 1.42 3.38 0.35 0.98 0.04 -1.26 -4.91 135.00 135.00 3kjs s PRO 401 Ca -0.08 1.59 -0.29 0.00 0.04 0.00 0.00 61.00 62.26 3kjs s PRO 401 Cb -0.05 -2.01 -0.11 0.00 0.04 0.00 0.00 34.50 32.37 3kjs s PRO 401 CO -0.16 -0.82 1.50 -1.25 0.04 0.00 0.00 177.00 176.30 3kjs s PRO 402 N -3.30 4.13 -0.09 0.56 0.04 -1.26 -4.95 135.00 130.13 3kjs s PRO 402 Ca 0.72 2.55 -0.04 0.00 0.04 0.00 0.00 61.00 64.27 3kjs s PRO 402 Cb -0.23 -2.99 -0.01 0.00 0.04 0.00 0.00 34.50 31.31 3kjs s PRO 402 CO 0.27 -0.53 -0.07 0.00 0.04 0.00 0.00 177.00 176.71 3kjs s HIS 404 N -1.68 2.82 -0.17 0.00 0.00 -1.26 -1.95 115.29 113.04 3kjs s HIS 404 Ca -0.06 -0.02 0.05 0.00 -3.00 0.00 0.00 55.06 52.04 3kjs s HIS 404 Cb 0.01 -4.04 -0.07 0.00 -4.00 0.00 0.00 32.58 24.49 3kjs s HIS 404 CO 0.09 -1.32 0.19 1.47 -1.00 0.00 0.00 174.74 174.17 3kjs n LEU 405 N 7.37 0.16 -3.70 5.38 -0.00 -0.80 -4.87 117.00 120.54 3kjs n LEU 405 Ca 0.02 -0.32 -0.14 0.00 -0.00 0.00 0.00 56.01 55.56 3kjs n LEU 405 Cb 0.47 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.80 3kjs n LEU 405 CO 0.63 0.04 0.16 -0.22 -0.00 0.00 0.00 177.39 178.00 3kjs s LEU 406 N -2.65 0.22 0.00 1.47 0.20 -1.21 -0.19 118.68 116.53 3kjs s LEU 406 Ca 0.01 0.80 -0.02 0.00 0.69 0.00 0.00 54.13 55.61 3kjs s LEU 406 Cb 0.04 1.65 -0.01 0.00 -0.43 0.00 0.00 46.19 47.44 3kjs s LEU 406 CO 0.22 -0.25 0.02 0.00 -0.29 0.00 0.00 176.35 176.06 3kjs s ALA 407 N -0.12 -0.04 0.03 5.97 0.00 -0.70 -0.43 121.76 126.47 3kjs s ALA 407 Ca -0.03 -0.20 0.06 0.00 0.00 0.00 0.00 51.96 51.79 3kjs s ALA 407 Cb -0.03 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 3kjs s ALA 407 CO 0.02 -0.10 -0.16 -1.14 0.00 0.00 0.00 175.76 174.38 3kjs s GLN 408 N -0.75 1.14 0.15 0.00 0.74 0.12 -1.76 119.66 119.29 3kjs s GLN 408 Ca -0.08 -0.77 0.06 0.00 0.05 0.00 0.00 55.36 54.62 3kjs s GLN 408 Cb -0.05 -1.17 -0.04 0.00 1.10 0.00 0.00 33.01 32.85 3kjs s GLN 408 CO -0.00 0.30 0.02 -0.06 -0.55 0.00 0.00 175.29 175.00 3kjs s PHE 409 N -0.72 2.93 -0.12 1.67 0.08 -0.07 -0.06 117.98 121.68 3kjs s PHE 409 Ca 0.04 -0.09 -0.12 0.00 0.12 0.00 0.00 56.93 56.88 3kjs s PHE 409 Cb -0.08 -1.44 0.03 0.00 -0.57 0.00 0.00 43.02 40.96 3kjs s PHE 409 CO 0.01 0.50 0.35 -0.47 -0.10 0.00 0.00 175.22 175.51 3kjs s TYR 410 N -1.60 -0.36 -0.08 0.36 6.14 -0.54 -4.69 117.35 116.57 3kjs s TYR 410 Ca 0.27 0.87 0.05 0.00 0.64 0.00 0.00 57.07 58.89 3kjs s TYR 410 Cb -0.10 0.13 -0.00 0.00 0.42 0.00 0.00 41.96 42.40 3kjs s TYR 410 CO 0.19 -0.21 -0.23 0.08 0.64 0.00 0.00 175.55 176.03 3kjs s VAL 411 N 0.02 1.93 -0.12 3.14 1.01 -1.26 0.10 120.40 125.22 3kjs s VAL 411 Ca -0.01 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 60.93 3kjs s VAL 411 Cb -0.03 -1.66 0.05 0.00 0.00 0.00 0.00 36.38 34.74 3kjs s VAL 411 CO 0.01 0.53 0.29 -0.55 0.00 0.00 0.00 175.10 175.38 3kjs s SER 412 N 0.16 -0.33 -1.53 3.32 0.15 -0.19 -4.87 113.70 110.40 3kjs s SER 412 Ca -0.12 0.62 -0.10 0.00 0.70 0.00 0.00 55.95 57.06 3kjs s SER 412 Cb -0.16 0.52 0.08 0.00 -1.71 0.00 0.00 66.02 64.74 3kjs s SER 412 CO 0.06 -0.17 0.69 0.59 1.20 0.00 0.00 173.24 175.62 3kjs n ASN 413 N 4.10 -2.42 -0.51 5.45 3.02 -1.26 -0.29 115.26 123.35 3kjs n ASN 413 Ca -0.24 -0.95 -0.07 0.00 -0.03 0.00 0.00 54.58 53.30 3kjs n ASN 413 Cb 0.54 -3.20 -0.03 0.00 -0.61 0.00 0.00 39.78 36.48 3kjs n ASN 413 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kjs n GLY 414 N -1.68 0.78 3.50 7.41 0.00 -1.26 -4.98 105.19 108.96 3kjs n GLY 414 Ca -0.10 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.22 3.48 -0.20 1.61 2.02 0.60 -1.11 118.70 122.88 3kjs s GLU 415 Ca 0.00 -0.54 -0.17 0.00 0.02 0.00 0.00 54.97 54.28 3kjs s GLU 415 Cb 0.00 -2.83 -0.04 0.00 0.10 0.00 0.00 34.13 31.37 3kjs s GLU 415 CO 0.00 0.32 0.44 -1.17 0.02 0.00 0.00 175.26 174.87 3kjs s LEU 416 N 0.14 4.16 0.25 1.80 2.96 0.77 -1.02 118.68 127.73 3kjs s LEU 416 Ca -0.02 0.58 0.09 0.00 -0.22 0.00 0.00 54.13 54.57 3kjs s LEU 416 Cb -0.14 -2.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 3kjs s LEU 416 CO 0.03 -0.11 -0.02 -0.44 -1.32 0.00 0.00 176.35 174.49 3kjs s SER 417 N 1.07 4.49 -0.00 3.68 0.01 0.11 -0.07 113.70 122.99 3kjs s SER 417 Ca 0.21 -0.63 0.01 0.00 1.31 0.00 0.00 55.95 56.85 3kjs s SER 417 Cb -0.15 -0.82 0.00 0.00 0.21 0.00 0.00 66.02 65.26 3kjs s SER 417 CO 0.09 0.02 -0.02 0.00 0.41 0.00 0.00 173.24 173.74 3kjs s MET 419 N 0.03 3.38 -0.13 0.00 -2.45 0.91 0.37 119.30 121.41 3kjs s MET 419 Ca 0.00 -0.63 -0.14 0.00 -1.25 0.00 0.00 55.69 53.67 3kjs s MET 419 Cb -0.02 -2.96 -0.05 0.00 1.25 0.00 0.00 34.83 33.05 3kjs s MET 419 CO -0.00 -0.14 0.32 -1.17 1.05 0.00 0.00 175.02 175.08 3kjs s LEU 420 N 1.33 4.29 -0.21 4.11 2.96 0.86 -0.71 118.68 131.31 3kjs s LEU 420 Ca 0.04 0.60 -0.04 0.00 -0.22 0.00 0.00 54.13 54.51 3kjs s LEU 420 Cb -0.14 -2.42 -0.02 0.00 0.50 0.00 0.00 46.19 44.11 3kjs s LEU 420 CO -0.03 0.13 -0.02 -0.47 -1.32 0.00 0.00 176.35 174.65 3kjs s TYR 421 N 0.20 3.00 -0.11 5.38 6.14 0.42 -0.26 117.35 132.12 3kjs s TYR 421 Ca 0.18 -0.65 0.00 0.00 0.64 0.00 0.00 57.07 57.25 3kjs s TYR 421 Cb -0.14 -2.09 0.02 0.00 0.42 0.00 0.00 41.96 40.18 3kjs s TYR 421 CO 0.06 -0.37 -0.11 -1.14 0.64 0.00 0.00 175.55 174.64 3kjs s GLN 422 N 1.19 1.80 0.20 4.97 0.74 -0.05 -1.91 119.66 126.60 3kjs s GLN 422 Ca 0.03 -0.38 0.08 0.00 0.05 0.00 0.00 55.36 55.14 3kjs s GLN 422 Cb -0.15 -1.71 0.08 0.00 1.10 0.00 0.00 33.01 32.34 3kjs s GLN 422 CO 0.00 -0.19 1.45 0.07 -0.55 0.00 0.00 175.29 176.07 3kjs h ARG 423 N 7.88 0.01 -3.00 1.67 0.11 -1.68 0.27 114.38 119.64 3kjs h ARG 423 Ca -0.32 -0.01 -0.26 0.00 0.10 0.00 0.00 59.98 59.48 3kjs h ARG 423 Cb 1.15 0.00 -0.34 0.00 1.11 0.00 0.00 29.97 31.89 3kjs h ARG 423 CO 0.45 0.81 -0.59 0.45 0.10 0.00 0.00 179.97 181.19 3kjs s SER 424 N -6.79 0.58 -0.28 0.08 0.15 -1.26 -0.59 113.70 105.58 3kjs s SER 424 Ca -0.00 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.09 3kjs s SER 424 Cb 0.11 0.44 0.08 0.00 -1.71 0.00 0.00 66.02 64.95 3kjs s SER 424 CO 0.79 -0.24 0.03 0.00 1.20 0.00 0.00 173.24 175.03 3kjs s ASP 426 N 1.43 6.53 0.28 0.00 2.15 -1.26 -1.08 116.67 124.72 3kjs s ASP 426 Ca 0.04 0.83 0.05 0.00 0.43 0.00 0.00 52.55 53.90 3kjs s ASP 426 Cb -0.18 -2.54 0.40 0.00 -0.30 0.00 0.00 42.92 40.30 3kjs s ASP 426 CO -0.14 -1.27 1.67 0.24 -0.17 0.00 0.00 175.17 175.51 3kjs h MET 427 N 9.80 0.29 0.03 4.34 2.86 -1.68 0.12 114.93 130.70 3kjs h MET 427 Ca -0.25 -0.14 -0.00 0.00 -2.06 0.00 0.00 59.70 57.24 3kjs h MET 427 Cb 1.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.75 3kjs h MET 427 CO 1.08 0.67 -0.02 0.78 1.06 0.00 0.00 176.91 180.49 3kjs h GLY 428 N 1.21 -0.05 0.00 8.32 0.00 -1.91 -3.40 103.07 107.24 3kjs h GLY 428 Ca 0.02 0.02 -0.07 0.00 0.00 0.00 0.00 47.33 47.30 3kjs h GLY 428 CO 0.07 -0.02 -1.21 1.04 0.00 0.00 0.00 176.54 176.42 3kjs n LEU 429 N -4.94 0.29 0.01 3.11 4.77 -1.24 -4.78 117.00 114.22 3kjs n LEU 429 Ca -0.08 0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 55.83 3kjs n LEU 429 Cb 0.20 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 3kjs n LEU 429 CO 0.33 0.07 0.87 1.23 -1.33 0.00 0.00 177.39 178.56 3kjs h GLY 430 N -0.14 0.09 0.80 -0.72 0.00 -1.66 -3.15 103.07 98.29 3kjs h GLY 430 Ca -0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 3kjs h GLY 430 CO -0.06 0.04 0.00 -2.08 0.00 0.00 0.00 176.54 174.44 3kjs h VAL 431 N 0.04 1.17 -0.59 4.60 2.07 -1.00 -1.12 116.25 121.42 3kjs h VAL 431 Ca 0.02 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.07 3kjs h VAL 431 Cb 0.05 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3kjs h VAL 431 CO -0.00 0.13 0.39 -0.65 0.02 0.00 0.00 177.57 177.45 3kjs h PRO 432 N -0.20 0.73 -0.22 1.57 0.11 -1.78 -0.35 132.00 131.87 3kjs h PRO 432 Ca 0.00 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 3kjs h PRO 432 Cb 0.21 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 3kjs h PRO 432 CO -0.00 0.49 0.11 0.35 -0.21 0.00 0.00 178.00 178.74 3kjs h PHE 433 N 0.76 0.32 0.00 0.65 3.04 -1.44 -2.64 116.94 117.62 3kjs h PHE 433 Ca 0.22 -0.01 -0.14 0.00 3.98 0.00 0.00 57.97 62.02 3kjs h PHE 433 Cb -0.03 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.36 3kjs h PHE 433 CO -0.00 0.30 -0.69 -0.91 -2.02 0.00 0.00 178.31 175.00 3kjs h ASN 434 N 0.24 0.00 0.18 0.41 2.35 -0.62 -0.10 115.58 118.04 3kjs h ASN 434 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3kjs h ASN 434 Cb 0.10 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 3kjs h ASN 434 CO -0.01 0.69 -0.16 0.40 -1.65 0.00 0.00 177.43 176.70 3kjs h ILE 435 N 0.00 0.66 -0.97 2.81 2.04 -1.06 -0.70 117.51 120.28 3kjs h ILE 435 Ca -0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.86 3kjs h ILE 435 Cb 1.24 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.93 3kjs h ILE 435 CO 0.09 0.00 0.63 0.00 0.00 0.00 0.00 178.15 178.87 3kjs h ALA 436 N 0.43 1.23 -0.10 1.87 0.00 -1.31 -0.88 119.26 120.51 3kjs h ALA 436 Ca -0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3kjs h ALA 436 Cb 0.33 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kjs h ALA 436 CO -0.02 0.64 0.06 1.03 0.00 0.00 0.00 179.25 180.96 3kjs h SER 437 N 1.32 0.12 1.55 0.00 0.87 -0.69 -1.29 113.55 115.44 3kjs h SER 437 Ca 0.35 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 3kjs h SER 437 Cb -0.13 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 3kjs h SER 437 CO -0.07 0.14 -0.13 1.88 -0.53 0.00 0.00 176.83 178.12 3kjs h TYR 438 N 0.09 0.00 0.21 2.24 -1.99 -1.04 -1.95 116.97 114.54 3kjs h TYR 438 Ca 0.04 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.76 3kjs h TYR 438 Cb 0.04 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.78 3kjs h TYR 438 CO -0.05 0.00 -0.10 0.00 -0.00 0.00 0.00 178.16 178.00 3kjs h ALA 439 N 2.32 -0.29 -0.24 3.88 0.00 -0.93 -2.19 119.26 121.80 3kjs h ALA 439 Ca 0.00 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.84 3kjs h ALA 439 Cb 0.84 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 3kjs h ALA 439 CO 0.00 -0.59 -0.07 1.25 0.00 0.00 0.00 179.25 179.84 3kjs h LEU 440 N -0.43 -0.25 -0.57 0.00 5.85 -1.05 -1.29 115.31 117.57 3kjs h LEU 440 Ca -0.03 0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.84 3kjs h LEU 440 Cb 0.33 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 3kjs h LEU 440 CO 0.05 -0.09 0.25 0.25 -0.34 0.00 0.00 178.44 178.56 3kjs h LEU 441 N -0.01 0.32 -0.49 2.25 5.85 -1.37 0.11 115.31 121.97 3kjs h LEU 441 Ca 0.12 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 3kjs h LEU 441 Cb 0.19 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3kjs h LEU 441 CO -0.26 0.20 0.17 0.74 -0.34 0.00 0.00 178.44 178.96 3kjs h THR 442 N 0.47 1.22 -0.10 1.05 2.02 -1.08 0.40 112.91 116.90 3kjs h THR 442 Ca 0.27 -0.73 0.02 0.00 0.77 0.00 0.00 66.41 66.75 3kjs h THR 442 Cb 0.26 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 3kjs h THR 442 CO -0.23 0.27 -0.05 0.40 0.37 0.00 0.00 175.52 176.28 3kjs h ILE 443 N 0.66 0.85 -0.82 3.11 2.04 -0.57 -0.53 117.51 122.26 3kjs h ILE 443 Ca 0.16 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.00 3kjs h ILE 443 Cb 0.25 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 3kjs h ILE 443 CO -0.01 0.00 0.42 -0.07 0.00 0.00 0.00 178.15 178.49 3kjs h LEU 444 N -0.03 1.05 -0.71 1.44 3.38 -0.50 -2.13 115.31 117.81 3kjs h LEU 444 Ca 0.06 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 3kjs h LEU 444 Cb 0.12 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3kjs h LEU 444 CO -0.12 0.87 -0.40 0.40 0.09 0.00 0.00 178.44 179.28 3kjs h ILE 445 N 1.15 1.30 -0.77 1.22 1.08 -0.73 -1.94 117.51 118.83 3kjs h ILE 445 Ca 0.28 -1.55 -0.02 0.00 -0.39 0.00 0.00 64.86 63.18 3kjs h ILE 445 Cb 0.08 1.55 -0.04 0.00 -3.07 0.00 0.00 36.82 35.35 3kjs h ILE 445 CO -0.04 0.49 0.39 0.00 -0.69 0.00 0.00 178.15 178.30 3kjs h ALA 446 N 1.13 0.99 -0.57 1.87 0.00 -0.86 -2.14 119.26 119.69 3kjs h ALA 446 Ca 0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3kjs h ALA 446 Cb 0.88 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3kjs h ALA 446 CO 0.08 0.53 0.23 0.87 0.00 0.00 0.00 179.25 180.95 3kjs h LYS 447 N 1.08 0.83 0.00 0.00 1.57 -1.07 -0.59 116.57 118.38 3kjs h LYS 447 Ca 0.27 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3kjs h LYS 447 Cb 0.08 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3kjs h LYS 447 CO -0.04 0.68 0.00 0.00 -0.57 0.00 0.00 179.45 179.52 3kjs n ALA 448 N -2.45 2.15 -0.10 3.86 0.00 -0.76 -3.90 120.51 119.31 3kjs n ALA 448 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3kjs n ALA 448 Cb 0.16 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.19 3kjs n ALA 448 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kjs n THR 449 N -1.78 0.37 -1.83 0.00 -2.24 -0.86 -4.45 114.28 103.49 3kjs n THR 449 Ca 0.06 -0.63 -0.08 0.00 -2.27 0.00 0.00 64.05 61.12 3kjs n THR 449 Cb 0.33 0.87 -0.01 0.00 -2.10 0.00 0.00 70.33 69.42 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 -0.19 0.37 3.72 3.38 0.00 -0.91 -4.63 105.19 106.94 3kjs n GLY 450 Ca 0.00 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.14 3.24 -0.02 0.99 1.43 -0.28 -5.03 118.68 116.88 3kjs s LEU 451 Ca 0.00 -0.77 -0.04 0.00 -1.03 0.00 0.00 54.13 52.28 3kjs s LEU 451 Cb 0.00 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 3kjs s LEU 451 CO 0.00 -0.26 0.20 -0.13 0.23 0.00 0.00 176.35 176.39 3kjs s ARG 452 N -3.82 3.48 0.28 1.70 0.52 -0.26 -4.29 118.95 116.55 3kjs s ARG 452 Ca 0.37 -0.23 -0.30 0.00 -0.52 0.00 0.00 55.73 55.05 3kjs s ARG 452 Cb -0.03 -3.11 -0.11 0.00 0.52 0.00 0.00 34.95 32.22 3kjs s ARG 452 CO 0.22 0.69 1.57 -2.14 0.02 0.00 0.00 175.30 175.66 3kjs s PRO 453 N -1.74 4.15 0.00 3.54 0.02 -1.26 -0.16 135.00 139.55 3kjs s PRO 453 Ca 0.25 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.80 3kjs s PRO 453 Cb -0.13 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.35 3kjs s PRO 453 CO 0.16 -0.60 0.00 0.41 -0.33 0.00 0.00 177.00 176.64 3kjs n GLY 454 N 2.29 0.54 3.28 0.52 0.00 0.90 -3.82 105.19 108.91 3kjs n GLY 454 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 3kjs n GLY 454 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kjs s GLU 455 N 1.00 1.38 -0.20 1.61 2.02 -1.24 0.47 118.70 123.74 3kjs s GLU 455 Ca 0.00 -1.04 -0.08 0.00 0.02 0.00 0.00 54.97 53.87 3kjs s GLU 455 Cb 0.00 -1.56 -0.04 0.00 0.10 0.00 0.00 34.13 32.63 3kjs s GLU 455 CO 0.00 0.39 0.08 -1.17 0.02 0.00 0.00 175.26 174.58 3kjs s LEU 456 N -1.41 3.82 -0.13 1.80 2.96 0.19 -1.20 118.68 124.70 3kjs s LEU 456 Ca 0.08 0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 54.03 3kjs s LEU 456 Cb -0.09 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 3kjs s LEU 456 CO 0.03 0.14 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.42 3kjs s VAL 457 N 0.59 3.45 -0.24 1.68 1.01 0.16 0.21 120.40 127.26 3kjs s VAL 457 Ca 0.04 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.51 3kjs s VAL 457 Cb -0.13 -2.47 0.04 0.00 0.00 0.00 0.00 36.38 33.83 3kjs s VAL 457 CO 0.01 0.52 -0.12 -2.28 0.00 0.00 0.00 175.10 173.23 3kjs s HIS 458 N 0.22 3.10 -0.24 5.22 2.46 0.46 -0.10 115.29 126.40 3kjs s HIS 458 Ca -0.06 -2.00 -0.10 0.00 0.47 0.00 0.00 55.06 53.38 3kjs s HIS 458 Cb -0.15 -1.95 -0.04 0.00 -0.13 0.00 0.00 32.58 30.30 3kjs s HIS 458 CO 0.04 -0.83 0.14 0.99 -2.47 0.00 0.00 174.74 172.60 3kjs s THR 459 N 1.19 5.07 -0.11 0.89 2.01 0.64 -0.87 115.64 124.47 3kjs s THR 459 Ca -0.04 0.08 -0.02 0.00 0.31 0.00 0.00 61.69 62.02 3kjs s THR 459 Cb -0.18 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 68.93 3kjs s THR 459 CO -0.07 0.34 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.42 3kjs s LEU 460 N 1.24 3.43 0.00 4.42 1.02 -0.37 -0.87 118.68 127.55 3kjs s LEU 460 Ca 0.06 0.02 0.00 0.00 0.02 0.00 0.00 54.13 54.24 3kjs s LEU 460 Cb -0.14 -1.80 0.00 0.00 0.02 0.00 0.00 46.19 44.27 3kjs s LEU 460 CO 0.05 0.29 0.00 0.61 0.02 0.00 0.00 176.35 177.33 3kjs n GLY 461 N 2.73 1.20 3.55 -3.19 0.00 0.95 -1.97 105.19 108.46 3kjs n GLY 461 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 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 5.90 -0.26 1.61 -1.08 0.24 -1.30 116.67 120.79 3kjs s ASP 462 Ca 0.00 -0.18 -0.10 0.00 -0.52 0.00 0.00 52.55 51.75 3kjs s ASP 462 Cb 0.00 -2.55 -0.05 0.00 -1.46 0.00 0.00 42.92 38.86 3kjs s ASP 462 CO 0.00 -1.99 0.16 0.00 0.52 0.00 0.00 175.17 173.87 3kjs s ALA 463 N 6.72 3.52 0.07 3.66 0.00 0.01 -0.29 121.76 135.45 3kjs s ALA 463 Ca 0.45 -1.01 -0.03 0.00 0.00 0.00 0.00 51.96 51.38 3kjs s ALA 463 Cb -0.09 -2.37 -0.03 0.00 0.00 0.00 0.00 23.12 20.63 3kjs s ALA 463 CO 0.17 -0.39 0.02 -3.38 0.00 0.00 0.00 175.76 172.19 3kjs s HIS 464 N 1.44 0.48 -0.01 0.00 -3.43 -0.24 -0.76 115.29 112.77 3kjs s HIS 464 Ca 0.07 -0.99 0.05 0.00 -0.80 0.00 0.00 55.06 53.39 3kjs s HIS 464 Cb -0.15 -0.33 -0.01 0.00 -1.43 0.00 0.00 32.58 30.66 3kjs s HIS 464 CO 0.08 -0.43 -0.18 0.08 -2.00 0.00 0.00 174.74 172.29 3kjs s VAL 465 N -3.92 1.38 0.31 -5.38 1.01 -0.12 -1.52 120.40 112.15 3kjs s VAL 465 Ca 0.08 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 61.03 3kjs s VAL 465 Cb 0.07 -1.15 -0.10 0.00 0.00 0.00 0.00 36.38 35.20 3kjs s VAL 465 CO -0.09 0.39 1.19 -0.31 0.00 0.00 0.00 175.10 176.29 3kjs s TYR 466 N -0.40 3.32 0.49 5.22 2.02 -1.26 -0.61 117.35 126.13 3kjs s TYR 466 Ca 0.07 1.57 0.19 0.00 -0.37 0.00 0.00 57.07 58.52 3kjs s TYR 466 Cb -0.07 -3.47 1.28 0.00 -0.40 0.00 0.00 41.96 39.30 3kjs s TYR 466 CO -0.01 -1.16 2.09 0.77 -1.57 0.00 0.00 175.55 175.68 3kjs h SER 467 N 3.58 0.00 0.98 2.29 0.02 -1.76 -1.14 113.55 117.52 3kjs h SER 467 Ca -0.48 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.27 3kjs h SER 467 Cb 1.22 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.73 3kjs h SER 467 CO 0.66 0.09 -1.05 -0.55 -1.14 0.00 0.00 176.83 174.84 3kjs h ASN 468 N 0.00 0.00 0.13 3.07 7.08 -1.92 -3.30 115.58 120.64 3kjs h ASN 468 Ca -0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 3kjs h ASN 468 Cb 0.17 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.41 3kjs h ASN 468 CO 0.01 0.91 0.00 1.41 -2.08 0.00 0.00 177.43 177.68 3kjs n HIS 469 N -3.27 0.00 0.00 4.14 8.25 -0.43 -3.88 115.22 120.04 3kjs n HIS 469 Ca -0.03 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.33 3kjs n HIS 469 Cb 0.92 -0.22 -0.04 0.00 1.12 0.00 0.00 29.99 31.77 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 0.00 0.82 -0.31 1.59 2.07 -1.64 0.16 116.25 118.95 3kjs h VAL 470 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 3kjs h VAL 470 Cb 0.06 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3kjs h VAL 470 CO 0.00 0.00 0.00 -0.33 0.02 0.00 0.00 177.57 177.26 3kjs h GLU 471 N -0.05 0.54 -0.67 1.57 4.39 -1.88 0.21 114.58 118.69 3kjs h GLU 471 Ca 0.06 -0.17 0.12 0.00 0.34 0.00 0.00 59.36 59.71 3kjs h GLU 471 Cb 0.14 -0.05 -0.09 0.00 -0.10 0.00 0.00 28.75 28.65 3kjs h GLU 471 CO -0.13 0.68 0.22 -1.35 -1.16 0.00 0.00 179.01 177.26 3kjs h PRO 472 N 0.34 0.35 -0.39 2.33 0.11 -1.76 -1.18 132.00 131.80 3kjs h PRO 472 Ca 0.09 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 66.05 3kjs h PRO 472 Cb 0.43 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 3kjs h PRO 472 CO 0.02 0.23 -0.26 0.00 -0.21 0.00 0.00 178.00 177.78 3kjs h ASN 474 N 0.69 0.81 0.05 0.00 2.35 -0.29 -1.02 115.58 118.17 3kjs h ASN 474 Ca 0.09 -0.12 0.01 0.00 -0.55 0.00 0.00 56.30 55.73 3kjs h ASN 474 Cb 0.79 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 3kjs h ASN 474 CO 0.07 0.75 -0.12 -0.33 -1.65 0.00 0.00 177.43 176.14 3kjs h GLU 475 N 0.86 -0.22 -0.00 0.81 4.39 -1.08 -2.87 114.58 116.47 3kjs h GLU 475 Ca 0.20 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.91 3kjs h GLU 475 Cb 0.21 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.91 3kjs h GLU 475 CO -0.01 -0.15 -0.02 0.37 -1.16 0.00 0.00 179.01 178.04 3kjs h GLN 476 N -0.23 0.01 0.00 2.33 4.15 -0.82 -1.69 115.11 118.86 3kjs h GLN 476 Ca 0.03 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.45 3kjs h GLN 476 Cb 0.26 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.95 3kjs h GLN 476 CO -0.09 0.03 0.00 -0.07 -1.93 0.00 0.00 178.83 176.77 3kjs h LEU 477 N 0.01 0.00 -1.69 -2.39 3.38 -0.98 -2.22 115.31 111.42 3kjs h LEU 477 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3kjs h LEU 477 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3kjs h LEU 477 CO 0.00 0.00 -0.18 0.11 0.09 0.00 0.00 178.44 178.46 3kjs h LYS 478 N 0.00 0.00 -6.62 1.13 1.57 -1.28 -3.45 116.57 107.92 3kjs h LYS 478 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 3kjs h LYS 478 Cb 0.44 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 3kjs h LYS 478 CO 0.00 0.18 0.38 1.03 -0.57 0.00 0.00 179.45 180.47 3kjs s ARG 479 N -4.49 4.71 -0.25 3.15 0.52 -0.84 -5.02 118.95 116.72 3kjs s ARG 479 Ca -0.04 1.51 -0.25 0.00 -0.52 0.00 0.00 55.73 56.44 3kjs s ARG 479 Cb 0.15 -3.34 -0.00 0.00 0.52 0.00 0.00 34.95 32.28 3kjs s ARG 479 CO 0.67 0.24 0.84 0.08 0.02 0.00 0.00 175.30 177.15 3kjs s VAL 480 N -0.26 4.81 0.32 3.52 1.01 -1.26 -5.02 120.40 123.52 3kjs s VAL 480 Ca 0.46 1.53 -0.29 0.00 0.00 0.00 0.00 61.98 63.68 3kjs s VAL 480 Cb -0.25 -4.14 -0.12 0.00 0.00 0.00 0.00 36.38 31.88 3kjs s VAL 480 CO 0.31 -0.12 1.53 -2.65 0.00 0.00 0.00 175.10 174.17 3kjs n PRO 481 N 6.08 2.60 -2.39 2.72 -0.02 -1.26 -4.94 135.00 137.79 3kjs n PRO 481 Ca 0.06 0.92 -0.25 0.00 -2.02 0.00 0.00 63.50 62.21 3kjs n PRO 481 Cb 0.48 -2.66 0.10 0.00 -0.02 0.00 0.00 33.50 31.40 3kjs n PRO 481 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3kjs s ARG 482 N -1.07 1.71 0.44 -0.52 0.52 -1.26 -4.30 118.95 114.47 3kjs s ARG 482 Ca 0.60 -0.75 -0.24 0.00 -0.52 0.00 0.00 55.73 54.82 3kjs s ARG 482 Cb -0.51 -2.23 -0.08 0.00 0.52 0.00 0.00 34.95 32.66 3kjs s ARG 482 CO 0.54 -1.49 1.20 0.00 0.02 0.00 0.00 175.30 175.58 3kjs s ALA 483 N -3.26 3.05 0.75 2.13 0.00 -1.26 -4.71 121.76 118.46 3kjs s ALA 483 Ca 0.65 1.02 -0.13 0.00 0.00 0.00 0.00 51.96 53.51 3kjs s ALA 483 Cb -0.07 -3.41 0.05 0.00 0.00 0.00 0.00 23.12 19.69 3kjs s ALA 483 CO 0.45 -0.71 1.12 -0.06 0.00 0.00 0.00 175.76 176.56 3kjs s PHE 484 N -1.44 2.38 0.00 0.00 0.08 -1.26 -4.78 117.98 112.96 3kjs s PHE 484 Ca 0.61 1.60 0.00 0.00 0.12 0.00 0.00 56.93 59.26 3kjs s PHE 484 Cb -0.32 -3.19 0.00 0.00 -0.57 0.00 0.00 43.02 38.94 3kjs s PHE 484 CO 0.39 -2.02 0.00 -0.35 -0.10 0.00 0.00 175.22 173.14 3kjs n PRO 485 N -3.15 0.40 -4.13 0.24 -0.04 -1.23 -4.89 135.00 122.19 3kjs n PRO 485 Ca 0.10 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.44 3kjs n PRO 485 Cb 0.52 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.87 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 -0.49 0.87 -0.16 0.54 1.51 -0.48 -1.73 117.35 117.41 3kjs s TYR 486 Ca 0.00 -0.69 -0.01 0.00 -1.01 0.00 0.00 57.07 55.36 3kjs s TYR 486 Cb 0.00 -0.50 -0.01 0.00 -0.11 0.00 0.00 41.96 41.35 3kjs s TYR 486 CO 0.00 -0.08 -0.12 -1.17 -1.11 0.00 0.00 175.55 173.06 3kjs s LEU 487 N -2.34 2.62 0.10 -1.29 2.96 0.62 -0.84 118.68 120.52 3kjs s LEU 487 Ca 0.02 -0.42 0.10 0.00 -0.22 0.00 0.00 54.13 53.62 3kjs s LEU 487 Cb -0.03 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 3kjs s LEU 487 CO -0.02 0.08 -0.25 0.68 -1.32 0.00 0.00 176.35 175.53 3kjs s VAL 488 N 0.83 2.11 -0.31 1.68 -7.23 -0.87 -4.75 120.40 111.85 3kjs s VAL 488 Ca -0.04 -1.62 -0.11 0.00 -1.81 0.00 0.00 61.98 58.39 3kjs s VAL 488 Cb -0.15 -1.86 -0.03 0.00 0.56 0.00 0.00 36.38 34.90 3kjs s VAL 488 CO 0.00 0.12 0.20 -0.36 -0.31 0.00 0.00 175.10 174.75 3kjs s PHE 489 N -1.02 3.21 0.22 2.82 0.40 -1.26 -1.43 117.98 120.92 3kjs s PHE 489 Ca 0.12 -0.16 0.20 0.00 -0.60 0.00 0.00 56.93 56.49 3kjs s PHE 489 Cb -0.10 -2.41 0.82 0.00 0.51 0.00 0.00 43.02 41.85 3kjs s PHE 489 CO 0.05 -0.30 1.80 -0.09 0.70 0.00 0.00 175.22 177.38 3kjs h ARG 490 N 8.41 0.00 -3.12 0.44 2.43 -1.32 -3.47 114.38 117.76 3kjs h ARG 490 Ca -0.33 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.78 3kjs h ARG 490 Cb 1.17 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 30.58 3kjs h ARG 490 CO 0.60 0.32 -0.01 0.50 -1.51 0.00 0.00 179.97 179.86 3kjs s ARG 491 N -3.76 1.06 0.35 0.20 3.52 -1.14 -5.07 118.95 114.12 3kjs s ARG 491 Ca -0.01 -0.49 0.06 0.00 -0.13 0.00 0.00 55.73 55.17 3kjs s ARG 491 Cb 0.12 0.48 -0.07 0.00 -1.56 0.00 0.00 34.95 33.91 3kjs s ARG 491 CO 0.67 -0.41 -0.01 -2.00 -0.81 0.00 0.00 175.30 172.75 3kjs s GLU 492 N -3.21 1.79 0.11 5.12 2.56 -1.26 -4.85 118.70 118.96 3kjs s GLU 492 Ca -0.01 -1.98 0.02 0.00 0.00 0.00 0.00 54.97 53.01 3kjs s GLU 492 Cb 0.00 -1.36 -0.04 0.00 2.00 0.00 0.00 34.13 34.73 3kjs s GLU 492 CO -0.08 -0.04 -0.07 1.03 -0.56 0.00 0.00 175.26 175.54 3kjs s ARG 493 N -3.74 0.87 0.16 4.30 1.81 -1.26 -5.05 118.95 116.04 3kjs s ARG 493 Ca 0.34 -1.34 -0.01 0.00 -1.72 0.00 0.00 55.73 53.00 3kjs s ARG 493 Cb 0.07 -0.31 0.00 0.00 -0.45 0.00 0.00 34.95 34.27 3kjs s ARG 493 CO 0.16 0.01 1.39 1.49 -0.68 0.00 0.00 175.30 177.66 3kjs h GLU 494 N 2.99 0.36 -5.83 3.54 4.81 -1.96 -3.43 114.58 115.07 3kjs h GLU 494 Ca -0.36 -0.34 -0.54 0.00 -0.13 0.00 0.00 59.36 57.99 3kjs h GLU 494 Cb 1.17 0.08 -0.26 0.00 0.63 0.00 0.00 28.75 30.38 3kjs h GLU 494 CO 0.63 1.00 -0.83 -0.06 -0.73 0.00 0.00 179.01 179.03 3kjs s PHE 495 N -3.43 1.63 0.32 0.92 0.08 -1.26 -0.51 117.98 115.72 3kjs s PHE 495 Ca -0.05 -0.35 0.04 0.00 0.12 0.00 0.00 56.93 56.68 3kjs s PHE 495 Cb 0.10 -0.98 0.65 0.00 -0.57 0.00 0.00 43.02 42.22 3kjs s PHE 495 CO 0.84 0.06 1.88 1.25 -0.10 0.00 0.00 175.22 179.16 3kjs h LEU 496 N 5.03 0.80 -0.05 -0.37 5.85 -1.22 -1.24 115.31 124.12 3kjs h LEU 496 Ca -0.40 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.34 3kjs h LEU 496 Cb 1.16 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.05 3kjs h LEU 496 CO 0.45 0.46 0.00 -0.62 -0.34 0.00 0.00 178.44 178.39 3kjs n GLU 497 N -4.54 0.02 0.00 1.25 4.71 -1.26 -2.99 120.64 117.83 3kjs n GLU 497 Ca 0.16 0.20 0.13 0.00 -0.01 0.00 0.00 57.16 57.64 3kjs n GLU 497 Cb 0.33 -1.53 0.36 0.00 -1.01 0.00 0.00 31.44 29.59 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 -1.57 1.50 -4.76 1.62 8.00 -0.47 -4.92 116.55 115.95 3kjs n ASP 498 Ca 0.04 -1.29 -0.41 0.00 0.71 0.00 0.00 54.79 53.85 3kjs n ASP 498 Cb 0.22 0.11 -0.02 0.00 -0.02 0.00 0.00 41.12 41.41 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 -2.27 3.10 0.27 1.24 1.51 -1.16 -5.00 117.35 115.04 3kjs s TYR 499 Ca 0.29 1.32 0.11 0.00 -1.01 0.00 0.00 57.07 57.78 3kjs s TYR 499 Cb 0.20 -3.68 -0.05 0.00 -0.11 0.00 0.00 41.96 38.32 3kjs s TYR 499 CO 0.44 -1.97 -0.15 -1.21 -1.11 0.00 0.00 175.55 171.56 3kjs s GLU 500 N -1.24 1.85 0.33 -0.62 2.02 -1.26 -5.00 118.70 114.77 3kjs s GLU 500 Ca 0.52 -1.65 0.02 0.00 0.02 0.00 0.00 54.97 53.87 3kjs s GLU 500 Cb -0.39 -1.89 0.58 0.00 0.10 0.00 0.00 34.13 32.53 3kjs s GLU 500 CO 0.48 0.34 1.94 1.49 0.02 0.00 0.00 175.26 179.54 3kjs h GLU 501 N 2.22 0.77 0.00 1.61 4.22 -1.94 -1.16 114.58 120.29 3kjs h GLU 501 Ca -0.42 -0.09 0.00 0.00 0.08 0.00 0.00 59.36 58.93 3kjs h GLU 501 Cb 1.25 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3kjs h GLU 501 CO 0.60 0.60 0.00 0.41 -2.18 0.00 0.00 179.01 178.43 3kjs n GLY 502 N -1.19 -0.82 0.08 1.92 0.00 -1.26 -2.67 105.19 101.25 3kjs n GLY 502 Ca 0.05 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.49 0.55 -4.14 1.61 8.00 -0.44 -4.87 116.55 115.77 3kjs n ASP 503 Ca 0.02 0.57 -0.11 0.00 0.71 0.00 0.00 54.79 55.98 3kjs n ASP 503 Cb 0.11 -0.71 -0.10 0.00 -0.02 0.00 0.00 41.12 40.40 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 -3.11 0.74 -0.02 -1.24 0.23 -1.09 -0.82 119.30 113.98 3kjs s MET 504 Ca 0.10 -1.16 -0.00 0.00 -1.03 0.00 0.00 55.69 53.60 3kjs s MET 504 Cb 0.13 -0.23 0.03 0.00 -1.53 0.00 0.00 34.83 33.23 3kjs s MET 504 CO 0.52 0.00 0.04 -2.00 -2.03 0.00 0.00 175.02 171.55 3kjs s GLU 505 N -3.14 -0.02 -0.20 3.16 2.56 -0.51 -4.92 118.70 115.63 3kjs s GLU 505 Ca 0.05 0.19 -0.27 0.00 0.00 0.00 0.00 54.97 54.94 3kjs s GLU 505 Cb 0.01 -0.20 -0.01 0.00 2.00 0.00 0.00 34.13 35.93 3kjs s GLU 505 CO -0.03 -0.15 0.91 0.08 -0.56 0.00 0.00 175.26 175.51 3kjs s VAL 506 N 0.94 4.80 0.16 3.70 1.01 -1.26 -2.05 120.40 127.69 3kjs s VAL 506 Ca -0.08 1.77 0.09 0.00 0.00 0.00 0.00 61.98 63.77 3kjs s VAL 506 Cb -0.11 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 3kjs s VAL 506 CO -0.03 -0.06 -0.13 0.27 0.00 0.00 0.00 175.10 175.15 3kjs s ILE 507 N 2.58 3.03 -1.49 2.22 -4.36 -0.02 -4.72 121.20 118.44 3kjs s ILE 507 Ca 0.40 -1.63 -0.07 0.00 -0.26 0.00 0.00 60.65 59.10 3kjs s ILE 507 Cb -0.16 -2.46 0.01 0.00 1.25 0.00 0.00 42.46 41.10 3kjs s ILE 507 CO 0.10 -0.04 0.82 0.47 0.24 0.00 0.00 174.94 176.53 3kjs n ASP 508 N 0.31 -6.09 -4.52 4.36 8.00 -1.26 -1.38 116.55 115.97 3kjs n ASP 508 Ca -0.12 -0.40 -0.42 0.00 0.71 0.00 0.00 54.79 54.55 3kjs n ASP 508 Cb 0.54 -4.87 -0.08 0.00 -0.02 0.00 0.00 41.12 36.69 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 -3.22 3.14 -0.56 1.24 5.04 -1.26 -4.17 117.35 117.56 3kjs s TYR 509 Ca 0.42 -0.12 0.07 0.00 -2.44 0.00 0.00 57.07 55.00 3kjs s TYR 509 Cb -0.19 -3.02 0.26 0.00 0.35 0.00 0.00 41.96 39.37 3kjs s TYR 509 CO 0.52 -0.69 0.72 0.00 -1.34 0.00 0.00 175.55 174.76 3kjs n ALA 510 N 5.81 3.67 -1.60 3.97 0.00 -1.26 -5.08 120.51 126.02 3kjs n ALA 510 Ca -0.05 -4.39 -0.31 0.00 0.00 0.00 0.00 53.44 48.70 3kjs n ALA 510 Cb 0.48 -0.86 0.06 0.00 0.00 0.00 0.00 19.45 19.13 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 -2.29 2.68 0.76 0.00 0.04 -1.26 -4.95 135.00 129.97 3kjs s PRO 511 Ca 0.40 0.80 -0.12 0.00 0.04 0.00 0.00 61.00 62.12 3kjs s PRO 511 Cb 0.18 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.80 3kjs s PRO 511 CO -0.05 -1.24 1.10 0.71 0.04 0.00 0.00 177.00 177.56 3kjs s TYR 512 N -3.11 2.48 0.86 0.56 1.51 0.04 -4.99 117.35 114.70 3kjs s TYR 512 Ca 0.59 1.58 -0.11 0.00 -1.01 0.00 0.00 57.07 58.12 3kjs s TYR 512 Cb -0.14 -3.12 0.11 0.00 -0.11 0.00 0.00 41.96 38.70 3kjs s TYR 512 CO 0.54 -1.90 1.10 -2.14 -1.11 0.00 0.00 175.55 172.04 3kjs s PRO 513 N -4.68 1.56 0.00 -1.71 0.02 -1.26 -4.46 135.00 124.48 3kjs s PRO 513 Ca 0.63 1.12 0.00 0.00 0.02 0.00 0.00 61.00 62.77 3kjs s PRO 513 Cb -0.19 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.51 3kjs s PRO 513 CO 0.53 -2.12 0.48 -0.35 -0.33 0.00 0.00 177.00 175.21