#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kjs h LEU 3 N 0.00 0.04 -0.22 1.04 3.38 -2.07 -2.07 115.31 115.41 3kjs h LEU 3 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kjs h LEU 3 Cb 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3kjs h LEU 3 CO 0.00 0.03 -0.58 0.49 0.09 0.00 0.00 178.44 178.47 3kjs n PHE 4 N -4.48 0.00 -1.48 1.13 3.72 -1.26 -4.91 117.46 110.17 3kjs n PHE 4 Ca 0.02 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.13 3kjs n PHE 4 Cb 0.27 -0.13 0.16 0.00 -0.94 0.00 0.00 39.48 38.84 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 -2.84 0.66 -0.29 -1.08 1.02 -0.78 -5.05 119.74 111.39 3kjs s LYS 5 Ca 0.14 0.17 -0.05 0.00 0.02 0.00 0.00 55.97 56.25 3kjs s LYS 5 Cb 0.18 -1.79 0.02 0.00 -0.52 0.00 0.00 37.83 35.71 3kjs s LYS 5 CO 0.69 -2.50 0.03 0.42 -0.92 0.00 0.00 175.35 173.07 3kjs s ILE 6 N -3.29 3.49 0.10 2.17 1.01 -1.26 -5.05 121.20 118.38 3kjs s ILE 6 Ca 0.66 -0.94 -0.30 0.00 0.00 0.00 0.00 60.65 60.07 3kjs s ILE 6 Cb -0.13 -2.84 -0.06 0.00 0.01 0.00 0.00 42.46 39.43 3kjs s ILE 6 CO 0.54 0.06 1.19 -0.60 0.00 0.00 0.00 174.94 176.13 3kjs s ARG 7 N 1.40 4.46 0.26 2.79 3.52 -1.26 -1.32 118.95 128.80 3kjs s ARG 7 Ca 0.00 1.79 -0.30 0.00 -0.13 0.00 0.00 55.73 57.10 3kjs s ARG 7 Cb -0.18 -3.31 -0.09 0.00 -1.56 0.00 0.00 34.95 29.81 3kjs s ARG 7 CO -0.00 -0.19 1.06 -1.64 -0.81 0.00 0.00 175.30 173.72 3kjs s MET 8 N 0.62 4.69 1.06 5.12 -1.94 0.83 -4.89 119.30 124.80 3kjs s MET 8 Ca 0.57 1.72 -0.16 0.00 -1.71 0.00 0.00 55.69 56.10 3kjs s MET 8 Cb -0.30 -3.22 0.22 0.00 2.01 0.00 0.00 34.83 33.54 3kjs s MET 8 CO 0.31 0.28 1.16 -1.25 -0.01 0.00 0.00 175.02 175.51 3kjs s PRO 9 N -1.30 -0.11 0.45 2.03 0.04 -1.26 -4.93 135.00 129.91 3kjs s PRO 9 Ca 0.44 0.01 0.15 0.00 0.04 0.00 0.00 61.00 61.64 3kjs s PRO 9 Cb -0.30 -1.72 1.02 0.00 0.04 0.00 0.00 34.50 33.53 3kjs s PRO 9 CO 0.38 -2.99 1.98 1.05 0.04 0.00 0.00 177.00 177.47 3kjs h GLU 10 N -2.06 0.00 -0.87 4.56 9.09 -1.96 -2.91 114.58 120.43 3kjs h GLU 10 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.94 3kjs h GLU 10 Cb 1.30 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.40 3kjs h GLU 10 CO 0.44 0.19 0.00 0.25 0.05 0.00 0.00 179.01 179.95 3kjs n THR 11 N -4.25 0.63 -0.34 -1.06 -2.24 -1.26 -4.53 114.28 101.23 3kjs n THR 11 Ca -0.02 -0.32 0.12 0.00 -2.27 0.00 0.00 64.05 61.56 3kjs n THR 11 Cb 0.26 -0.42 0.31 0.00 -2.10 0.00 0.00 70.33 68.38 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 0.94 0.68 0.00 2.28 3.04 -1.71 -2.55 116.25 118.94 3kjs h VAL 12 Ca 0.00 -0.24 -0.04 0.00 -1.01 0.00 0.00 66.70 65.41 3kjs h VAL 12 Cb 0.82 -0.09 -0.01 0.00 -2.01 0.00 0.00 31.29 30.01 3kjs h VAL 12 CO 0.11 0.13 -1.41 0.00 -1.01 0.00 0.00 177.57 175.39 3kjs n ALA 13 N -2.35 2.50 -0.16 3.17 0.00 -1.26 -4.60 120.51 117.81 3kjs n ALA 13 Ca 0.23 -0.40 -0.08 0.00 0.00 0.00 0.00 53.44 53.19 3kjs n ALA 13 Cb 0.57 -0.95 0.01 0.00 0.00 0.00 0.00 19.45 19.09 3kjs n ALA 13 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3kjs h GLU 14 N 0.00 0.66 -0.08 0.00 5.08 -1.78 -2.26 114.58 116.21 3kjs h GLU 14 Ca -0.04 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3kjs h GLU 14 Cb 1.12 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3kjs h GLU 14 CO 0.01 0.52 0.00 0.41 -1.00 0.00 0.00 179.01 178.95 3kjs n GLY 15 N -1.01 -0.11 0.00 -3.84 0.00 -1.26 -3.74 105.19 95.23 3kjs n GLY 15 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3kjs n GLY 15 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kjs n THR 16 N -0.01 0.35 -2.07 2.61 -2.24 -1.15 -4.56 114.28 107.22 3kjs n THR 16 Ca 0.18 -0.39 -0.42 0.00 -2.27 0.00 0.00 64.05 61.15 3kjs n THR 16 Cb 0.28 0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 69.39 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 -0.35 4.28 -0.18 -0.78 3.52 -0.86 -4.67 118.95 119.91 3kjs s ARG 17 Ca 0.00 2.20 -0.29 0.00 -0.13 0.00 0.00 55.73 57.51 3kjs s ARG 17 Cb 0.00 -3.20 -0.04 0.00 -1.56 0.00 0.00 34.95 30.15 3kjs s ARG 17 CO 0.00 -0.50 1.71 -1.17 -0.81 0.00 0.00 175.30 174.53 3kjs s LEU 18 N 0.98 3.96 -0.10 -0.88 2.96 -1.26 -4.90 118.68 119.44 3kjs s LEU 18 Ca 0.66 1.82 -0.28 0.00 -0.22 0.00 0.00 54.13 56.12 3kjs s LEU 18 Cb -0.40 -3.53 -0.24 0.00 0.50 0.00 0.00 46.19 42.52 3kjs s LEU 18 CO 0.32 -1.26 0.94 0.00 -1.32 0.00 0.00 176.35 175.03 3kjs h ALA 19 N 10.95 -0.00 -3.73 5.97 0.00 -1.93 -3.45 119.26 127.07 3kjs h ALA 19 Ca -0.36 -0.40 -0.44 0.00 0.00 0.00 0.00 54.91 53.70 3kjs h ALA 19 Cb 1.17 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 18.65 3kjs h ALA 19 CO 0.99 -0.10 -0.79 -0.51 0.00 0.00 0.00 179.25 178.84 3kjs s LEU 20 N -8.59 1.72 0.22 0.00 1.43 -1.26 -4.23 118.68 107.97 3kjs s LEU 20 Ca -0.18 -0.20 -0.30 0.00 -1.03 0.00 0.00 54.13 52.43 3kjs s LEU 20 Cb -0.01 -0.59 -0.08 0.00 0.03 0.00 0.00 46.19 45.54 3kjs s LEU 20 CO 0.67 0.05 1.01 -0.60 0.23 0.00 0.00 176.35 177.72 3kjs s ARG 21 N 0.32 4.73 0.75 1.70 6.06 -0.72 -4.95 118.95 126.85 3kjs s ARG 21 Ca -0.05 1.61 -0.11 0.00 -2.50 0.00 0.00 55.73 54.67 3kjs s ARG 21 Cb -0.10 -3.27 0.05 0.00 0.06 0.00 0.00 34.95 31.68 3kjs s ARG 21 CO 0.01 0.31 1.09 0.00 -2.50 0.00 0.00 175.30 174.21 3kjs s ALA 22 N -0.79 2.30 0.16 6.12 0.00 -1.26 -4.87 121.76 123.42 3kjs s ALA 22 Ca 0.44 0.31 -0.17 0.00 0.00 0.00 0.00 51.96 52.55 3kjs s ALA 22 Cb -0.28 -3.28 0.03 0.00 0.00 0.00 0.00 23.12 19.60 3kjs s ALA 22 CO 0.34 -1.67 0.47 -0.59 0.00 0.00 0.00 175.76 174.31 3kjs s PHE 23 N -2.81 -0.16 0.34 0.00 -0.71 -0.84 -4.34 117.98 109.46 3kjs s PHE 23 Ca 0.62 -0.16 0.08 0.00 -1.04 0.00 0.00 56.93 56.43 3kjs s PHE 23 Cb -0.18 0.33 -0.05 0.00 -1.21 0.00 0.00 43.02 41.92 3kjs s PHE 23 CO 0.54 -0.82 0.11 -1.12 -1.34 0.00 0.00 175.22 172.59 3kjs s SER 24 N -2.84 4.53 -0.04 1.98 0.01 0.70 -0.30 113.70 117.73 3kjs s SER 24 Ca 0.06 -0.85 0.05 0.00 1.31 0.00 0.00 55.95 56.53 3kjs s SER 24 Cb 0.00 -0.66 -0.01 0.00 0.21 0.00 0.00 66.02 65.56 3kjs s SER 24 CO -0.07 -0.30 -0.21 -0.22 0.41 0.00 0.00 173.24 172.85 3kjs s LEU 25 N -3.81 2.00 -0.05 2.44 0.20 0.46 -0.57 118.68 119.35 3kjs s LEU 25 Ca 0.37 -0.42 0.05 0.00 0.69 0.00 0.00 54.13 54.82 3kjs s LEU 25 Cb -0.01 -1.16 -0.00 0.00 -0.43 0.00 0.00 46.19 44.58 3kjs s LEU 25 CO 0.22 0.21 -0.20 -0.69 -0.29 0.00 0.00 176.35 175.60 3kjs s VAL 26 N -0.15 1.64 -0.09 1.68 1.01 -0.50 -0.21 120.40 123.77 3kjs s VAL 26 Ca -0.01 -0.83 -0.23 0.00 0.00 0.00 0.00 61.98 60.91 3kjs s VAL 26 Cb -0.12 -1.40 0.05 0.00 0.00 0.00 0.00 36.38 34.91 3kjs s VAL 26 CO 0.02 0.47 0.54 0.54 0.00 0.00 0.00 175.10 176.66 3kjs s VAL 27 N 0.03 0.02 -0.13 2.92 0.11 -0.70 -4.45 120.40 118.20 3kjs s VAL 27 Ca -0.05 -0.13 -0.00 0.00 -2.93 0.00 0.00 61.98 58.86 3kjs s VAL 27 Cb -0.13 -0.82 -0.01 0.00 -1.53 0.00 0.00 36.38 33.89 3kjs s VAL 27 CO 0.03 -0.07 -0.13 0.00 -3.33 0.00 0.00 175.10 171.59 3kjs s ALA 28 N -0.73 2.60 0.15 1.54 0.00 -1.26 -0.52 121.76 123.53 3kjs s ALA 28 Ca -0.08 -0.90 0.07 0.00 0.00 0.00 0.00 51.96 51.05 3kjs s ALA 28 Cb -0.03 -1.20 -0.04 0.00 0.00 0.00 0.00 23.12 21.85 3kjs s ALA 28 CO 0.05 0.24 -0.15 0.14 0.00 0.00 0.00 175.76 176.04 3kjs s VAL 29 N 0.37 1.55 0.47 0.00 -7.23 0.12 -4.56 120.40 111.12 3kjs s VAL 29 Ca -0.11 -1.87 -0.03 0.00 -1.81 0.00 0.00 61.98 58.16 3kjs s VAL 29 Cb -0.16 -1.72 0.10 0.00 0.56 0.00 0.00 36.38 35.16 3kjs s VAL 29 CO 0.06 -0.42 0.64 -0.90 -0.31 0.00 0.00 175.10 174.17 3kjs n ASP 30 N 0.30 0.52 0.00 4.85 5.68 -0.30 -0.00 116.55 127.60 3kjs n ASP 30 Ca -0.13 -1.52 0.12 0.00 -0.50 0.00 0.00 54.79 52.76 3kjs n ASP 30 Cb 0.58 -0.44 0.62 0.00 -1.14 0.00 0.00 41.12 40.74 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 -2.25 0.29 -0.37 0.11 1.02 -1.18 -1.59 120.64 116.67 3kjs n GLU 31 Ca 0.09 0.05 0.10 0.00 -0.02 0.00 0.00 57.16 57.39 3kjs n GLU 31 Cb 0.33 -1.50 0.30 0.00 -0.02 0.00 0.00 31.44 30.55 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 -1.33 2.87 -0.99 3.49 1.74 -1.26 -4.95 116.66 116.23 3kjs n ARG 32 Ca 0.11 -2.59 0.00 0.00 -0.77 0.00 0.00 57.85 54.59 3kjs n ARG 32 Cb 0.22 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 3kjs n ARG 32 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kjs n GLY 33 N 1.39 0.41 3.77 -0.13 0.00 -0.62 -4.93 105.19 105.08 3kjs n GLY 33 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 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 2.86 0.00 -0.02 0.00 -1.26 -0.50 107.32 106.41 3kjs s GLY 34 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 44.72 45.68 3kjs s GLY 34 CO 0.00 1.47 0.00 0.29 0.00 0.00 0.00 173.10 174.86 3kjs n ILE 35 N 0.08 0.00 0.00 0.90 -5.35 -0.03 -1.15 119.36 113.82 3kjs n ILE 35 Ca 0.04 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.52 3kjs n ILE 35 Cb 0.46 0.44 0.00 0.00 -1.74 0.00 0.00 39.64 38.80 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 2.35 0.08 0.92 3.28 0.00 -1.24 -4.57 105.19 106.02 3kjs n GLY 36 Ca 0.00 -0.88 0.11 0.00 0.00 0.00 0.00 46.02 45.25 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 2.77 0.00 1.61 5.68 -0.48 -1.46 116.55 124.66 3kjs n ASP 37 Ca 0.00 -1.89 0.00 0.00 -0.50 0.00 0.00 54.79 52.40 3kjs n ASP 37 Cb 0.00 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 39.79 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 1.36 2.32 0.01 6.12 0.00 -1.26 -4.60 105.19 109.15 3kjs n GLY 38 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 3kjs n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kjs n ARG 39 N -0.51 0.23 -4.05 1.61 1.74 -1.26 -5.05 116.66 109.37 3kjs n ARG 39 Ca 0.00 0.02 -0.12 0.00 -0.77 0.00 0.00 57.85 56.97 3kjs n ARG 39 Cb 0.00 -1.06 -0.05 0.00 -1.02 0.00 0.00 32.46 30.34 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 -4.23 0.47 -0.26 0.55 1.04 -1.26 -4.68 113.70 105.33 3kjs s SER 40 Ca -0.04 -1.28 -0.21 0.00 0.48 0.00 0.00 55.95 54.91 3kjs s SER 40 Cb 0.01 0.62 -0.02 0.00 0.10 0.00 0.00 66.02 66.74 3kjs s SER 40 CO 0.07 -1.23 0.64 -0.63 0.98 0.00 0.00 173.24 173.07 3kjs s ILE 41 N -3.43 4.96 -0.26 -1.02 1.01 -1.26 -1.38 121.20 119.82 3kjs s ILE 41 Ca 0.28 1.10 -0.01 0.00 0.00 0.00 0.00 60.65 62.02 3kjs s ILE 41 Cb -0.00 -3.96 0.17 0.00 0.01 0.00 0.00 42.46 38.68 3kjs s ILE 41 CO 0.15 -0.02 2.03 -0.81 0.00 0.00 0.00 174.94 176.29 3kjs n PRO 42 N 5.77 1.66 -3.88 2.79 -0.04 -1.26 -4.81 135.00 135.23 3kjs n PRO 42 Ca -0.00 -1.28 -0.09 0.00 -0.04 0.00 0.00 63.50 62.08 3kjs n PRO 42 Cb 0.49 -1.51 -0.06 0.00 -0.04 0.00 0.00 33.50 32.39 3kjs n PRO 42 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 3kjs s TRP 43 N -1.48 0.20 -0.42 0.54 -2.14 -1.26 -5.07 118.94 109.31 3kjs s TRP 43 Ca 0.26 -0.56 0.02 0.00 2.66 0.00 0.00 56.10 58.48 3kjs s TRP 43 Cb 0.20 0.13 0.14 0.00 -3.10 0.00 0.00 33.47 30.84 3kjs s TRP 43 CO -0.01 -0.82 0.24 1.21 -2.66 0.00 0.00 176.95 174.91 3kjs s ASN 44 N -2.94 3.48 -0.37 -2.66 3.84 -1.26 -5.06 114.94 109.98 3kjs s ASN 44 Ca 0.14 -2.56 0.02 0.00 0.21 0.00 0.00 52.86 50.68 3kjs s ASN 44 Cb 0.01 -0.90 0.11 0.00 -0.55 0.00 0.00 41.25 39.92 3kjs s ASN 44 CO -0.00 -0.27 0.11 -0.69 -2.79 0.00 0.00 177.10 173.46 3kjs s VAL 45 N 0.47 1.78 0.47 -5.21 1.01 -1.26 -4.76 120.40 112.90 3kjs s VAL 45 Ca 0.18 -2.21 0.12 0.00 0.00 0.00 0.00 61.98 60.08 3kjs s VAL 45 Cb -0.23 -2.30 0.27 0.00 0.00 0.00 0.00 36.38 34.11 3kjs s VAL 45 CO -0.00 -0.69 2.11 -0.65 0.00 0.00 0.00 175.10 175.87 3kjs h PRO 46 N 7.51 0.23 0.00 2.72 0.11 -1.97 -2.21 132.00 138.39 3kjs h PRO 46 Ca -0.07 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.95 3kjs h PRO 46 Cb 0.99 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 3kjs h PRO 46 CO 0.52 0.16 -0.36 0.93 -0.21 0.00 0.00 178.00 179.04 3kjs h GLU 47 N 0.24 0.00 -0.14 1.05 3.07 -1.96 -0.22 114.58 116.62 3kjs h GLU 47 Ca 0.06 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.75 3kjs h GLU 47 Cb -0.02 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 27.89 3kjs h GLU 47 CO -0.01 0.36 -0.59 0.22 -1.40 0.00 0.00 179.01 177.58 3kjs h ASP 48 N 0.00 0.76 -0.69 1.42 3.58 -1.84 -2.22 116.42 117.44 3kjs h ASP 48 Ca -0.00 -0.62 0.05 0.00 0.42 0.00 0.00 57.03 56.87 3kjs h ASP 48 Cb 0.76 -0.22 -0.05 0.00 1.72 0.00 0.00 39.33 41.53 3kjs h ASP 48 CO 0.05 1.26 0.40 0.24 -2.88 0.00 0.00 179.24 178.31 3kjs h MET 49 N 0.31 0.73 0.18 0.28 2.86 -1.20 0.20 114.93 118.28 3kjs h MET 49 Ca -0.03 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 3kjs h MET 49 Cb 1.23 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.72 3kjs h MET 49 CO 0.12 0.48 -0.08 -0.22 1.06 0.00 0.00 176.91 178.27 3kjs h LYS 50 N 0.75 -0.23 -0.66 1.72 3.64 -1.11 -1.23 116.57 119.46 3kjs h LYS 50 Ca 0.30 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.74 3kjs h LYS 50 Cb 0.13 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.96 3kjs h LYS 50 CO -0.16 -0.04 0.38 0.35 -2.27 0.00 0.00 179.45 177.72 3kjs h PHE 51 N -0.38 0.70 -0.29 1.91 3.57 -1.13 0.77 116.94 122.09 3kjs h PHE 51 Ca -0.02 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.52 3kjs h PHE 51 Cb 0.30 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 3kjs h PHE 51 CO -0.02 0.36 0.12 0.35 -2.23 0.00 0.00 178.31 176.89 3kjs h PHE 52 N 0.71 0.23 0.14 0.41 3.57 -0.53 -0.07 116.94 121.40 3kjs h PHE 52 Ca 0.28 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.80 3kjs h PHE 52 Cb 0.13 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 3kjs h PHE 52 CO -0.07 0.12 -0.13 -0.09 -2.23 0.00 0.00 178.31 175.90 3kjs h ARG 53 N 0.27 -0.29 -0.02 1.11 2.43 -0.71 -2.54 114.38 114.63 3kjs h ARG 53 Ca 0.12 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3kjs h ARG 53 Cb 0.07 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3kjs h ARG 53 CO -0.10 -0.19 0.01 -0.44 -1.51 0.00 0.00 179.97 177.74 3kjs h ASP 54 N -0.30 0.02 0.39 -3.80 3.32 -0.60 -0.67 116.42 114.79 3kjs h ASP 54 Ca 0.00 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 3kjs h ASP 54 Cb 0.28 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3kjs h ASP 54 CO -0.03 0.03 -0.41 1.62 -1.72 0.00 0.00 179.24 178.72 3kjs h VAL 55 N 0.02 1.30 0.00 -1.35 3.04 -1.04 -1.21 116.25 117.02 3kjs h VAL 55 Ca 0.01 -1.44 -0.11 0.00 -1.01 0.00 0.00 66.70 64.15 3kjs h VAL 55 Cb 0.00 1.76 -0.02 0.00 -2.01 0.00 0.00 31.29 31.02 3kjs h VAL 55 CO -0.00 0.41 -0.92 0.71 -1.01 0.00 0.00 177.57 176.76 3kjs h THR 56 N 0.03 0.54 0.05 3.17 1.35 -1.34 -3.39 112.91 113.32 3kjs h THR 56 Ca -0.00 -1.88 -0.28 0.00 -0.55 0.00 0.00 66.41 63.69 3kjs h THR 56 Cb 0.75 2.11 -0.03 0.00 -1.73 0.00 0.00 68.15 69.25 3kjs h THR 56 CO 0.06 0.31 -1.55 0.41 -0.25 0.00 0.00 175.52 174.49 3kjs n THR 57 N -3.00 1.63 -2.08 6.82 -1.04 -0.27 -4.64 114.28 111.70 3kjs n THR 57 Ca -0.03 -0.27 -0.40 0.00 -2.04 0.00 0.00 64.05 61.31 3kjs n THR 57 Cb 0.74 -1.93 -0.01 0.00 -1.82 0.00 0.00 70.33 67.31 3kjs n THR 57 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3kjs s LYS 58 N -2.44 4.16 0.31 -2.82 1.02 -0.47 -4.61 119.74 114.89 3kjs s LYS 58 Ca -0.26 2.19 0.05 0.00 0.02 0.00 0.00 55.97 57.96 3kjs s LYS 58 Cb 0.06 -2.91 -0.02 0.00 -0.52 0.00 0.00 37.83 34.45 3kjs s LYS 58 CO 0.66 -0.35 0.46 -0.51 -0.92 0.00 0.00 175.35 174.69 3kjs s LEU 59 N -2.12 4.07 0.31 3.17 1.43 -1.26 -4.93 118.68 119.34 3kjs s LEU 59 Ca 0.53 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.67 3kjs s LEU 59 Cb -0.39 -2.89 0.52 0.00 0.03 0.00 0.00 46.19 43.47 3kjs s LEU 59 CO 0.51 -0.32 1.85 -0.09 0.23 0.00 0.00 176.35 178.53 3kjs h ARG 60 N 0.93 0.61 0.00 1.70 2.43 -1.96 -3.45 114.38 114.64 3kjs h ARG 60 Ca -0.48 -0.14 -0.10 0.00 -0.81 0.00 0.00 59.98 58.45 3kjs h ARG 60 Cb 1.24 -0.09 0.05 0.00 -0.42 0.00 0.00 29.97 30.76 3kjs h ARG 60 CO 0.57 0.62 0.02 0.41 -1.51 0.00 0.00 179.97 180.08 3kjs n GLY 61 N -0.83 -2.72 3.67 2.80 0.00 -1.26 -5.00 105.19 101.86 3kjs n GLY 61 Ca 0.02 -1.43 -0.38 0.00 0.00 0.00 0.00 46.02 44.23 3kjs n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kjs s LYS 62 N -3.64 4.19 -1.19 1.61 1.02 -1.26 -4.49 119.74 115.97 3kjs s LYS 62 Ca 0.19 0.23 -0.06 0.00 0.02 0.00 0.00 55.97 56.34 3kjs s LYS 62 Cb -0.02 -3.53 0.05 0.00 -0.52 0.00 0.00 37.83 33.81 3kjs s LYS 62 CO 0.14 -0.02 0.34 0.09 -0.92 0.00 0.00 175.35 174.98 3kjs n ASN 63 N 4.41 -3.81 -4.65 2.83 3.02 -1.26 -4.94 115.26 110.86 3kjs n ASN 63 Ca -0.08 -0.19 -0.42 0.00 -0.03 0.00 0.00 54.58 53.86 3kjs n ASN 63 Cb 0.51 -3.18 -0.03 0.00 -0.61 0.00 0.00 39.78 36.47 3kjs n ASN 63 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kjs s VAL 64 N -2.82 4.78 -0.05 2.41 1.01 -1.26 -5.03 120.40 119.44 3kjs s VAL 64 Ca 0.27 1.73 -0.27 0.00 0.00 0.00 0.00 61.98 63.71 3kjs s VAL 64 Cb -0.14 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 3kjs s VAL 64 CO 0.33 -0.11 0.85 -0.54 0.00 0.00 0.00 175.10 175.63 3kjs s LYS 65 N 2.96 4.48 0.11 2.72 1.02 -1.26 -4.51 119.74 125.26 3kjs s LYS 65 Ca 0.38 1.16 -0.35 0.00 0.02 0.00 0.00 55.97 57.18 3kjs s LYS 65 Cb -0.15 -3.47 -0.14 0.00 -0.52 0.00 0.00 37.83 33.55 3kjs s LYS 65 CO 0.07 -0.04 1.54 -2.30 -0.92 0.00 0.00 175.35 173.70 3kjs n PRO 66 N 4.02 1.87 -4.14 -1.68 -0.02 -1.26 -4.97 135.00 128.82 3kjs n PRO 66 Ca 0.03 0.68 -0.10 0.00 -2.02 0.00 0.00 63.50 62.09 3kjs n PRO 66 Cb 0.51 -2.42 -0.10 0.00 -0.02 0.00 0.00 33.50 31.47 3kjs n PRO 66 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3kjs s SER 67 N 1.11 0.29 0.59 2.55 1.04 -0.37 -5.00 113.70 113.91 3kjs s SER 67 Ca 0.82 -1.20 0.29 0.00 0.48 0.00 0.00 55.95 56.33 3kjs s SER 67 Cb -0.76 0.31 1.67 0.00 0.10 0.00 0.00 66.02 67.34 3kjs s SER 67 CO 0.42 -0.74 2.10 -0.65 0.98 0.00 0.00 173.24 175.35 3kjs h PRO 68 N 2.84 0.00 0.00 4.02 0.11 -1.97 -1.26 132.00 135.74 3kjs h PRO 68 Ca -0.35 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.66 3kjs h PRO 68 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3kjs h PRO 68 CO 0.58 0.00 -0.68 0.00 -0.21 0.00 0.00 178.00 177.70 3kjs h ALA 69 N 1.76 0.69 -1.66 -0.75 0.00 -1.96 -3.44 119.26 113.89 3kjs h ALA 69 Ca 0.08 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 3kjs h ALA 69 Cb 0.49 0.01 -0.28 0.00 0.00 0.00 0.00 17.79 18.01 3kjs h ALA 69 CO -0.00 0.59 -0.47 0.21 0.00 0.00 0.00 179.25 179.58 3kjs s LYS 70 N -3.00 0.41 0.28 0.00 2.47 -0.48 -4.54 119.74 114.88 3kjs s LYS 70 Ca 0.03 0.45 -0.16 0.00 -1.56 0.00 0.00 55.97 54.73 3kjs s LYS 70 Cb 0.08 -0.24 0.01 0.00 -1.46 0.00 0.00 37.83 36.21 3kjs s LYS 70 CO 0.75 -0.80 0.60 -0.98 0.16 0.00 0.00 175.35 175.08 3kjs s ARG 71 N 2.60 1.73 0.37 4.03 1.70 -0.92 -1.24 118.95 127.22 3kjs s ARG 71 Ca 0.13 -1.20 -0.00 0.00 -0.47 0.00 0.00 55.73 54.18 3kjs s ARG 71 Cb -0.14 0.54 -0.03 0.00 -0.57 0.00 0.00 34.95 34.74 3kjs s ARG 71 CO -0.22 -0.76 0.59 -0.80 -1.08 0.00 0.00 175.30 173.03 3kjs s ASN 72 N -3.00 6.29 0.02 -2.89 0.01 -1.26 -0.58 114.94 113.53 3kjs s ASN 72 Ca 0.18 0.52 0.06 0.00 -0.71 0.00 0.00 52.86 52.92 3kjs s ASN 72 Cb -0.03 -2.06 -0.03 0.00 0.41 0.00 0.00 41.25 39.54 3kjs s ASN 72 CO 0.09 -0.34 -0.18 0.00 -1.51 0.00 0.00 177.10 175.16 3kjs s ALA 73 N -2.39 2.57 -0.13 0.60 0.00 -0.66 -1.21 121.76 120.55 3kjs s ALA 73 Ca 0.41 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 51.23 3kjs s ALA 73 Cb -0.10 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 3kjs s ALA 73 CO 0.37 0.57 -0.16 0.14 0.00 0.00 0.00 175.76 176.69 3kjs s VAL 74 N -0.86 2.80 -0.20 0.00 -7.23 0.30 -0.20 120.40 115.01 3kjs s VAL 74 Ca 0.14 -0.75 -0.04 0.00 -1.81 0.00 0.00 61.98 59.52 3kjs s VAL 74 Cb -0.10 -2.16 -0.01 0.00 0.56 0.00 0.00 36.38 34.66 3kjs s VAL 74 CO 0.04 0.53 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.62 3kjs s VAL 75 N 0.40 3.49 0.05 1.32 1.01 0.11 -0.68 120.40 126.10 3kjs s VAL 75 Ca -0.12 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.41 3kjs s VAL 75 Cb -0.16 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 3kjs s VAL 75 CO 0.06 0.44 -0.08 0.00 0.00 0.00 0.00 175.10 175.53 3kjs s MET 76 N 1.11 0.60 0.66 2.72 0.23 0.22 -1.64 119.30 123.20 3kjs s MET 76 Ca 0.02 -0.88 -0.13 0.00 -1.03 0.00 0.00 55.69 53.67 3kjs s MET 76 Cb -0.15 -0.29 -0.01 0.00 -1.53 0.00 0.00 34.83 32.86 3kjs s MET 76 CO -0.00 0.04 1.06 0.20 -2.03 0.00 0.00 175.02 174.29 3kjs s GLY 77 N -1.87 1.87 0.25 3.16 0.00 -1.26 -0.18 107.32 109.30 3kjs s GLY 77 Ca -0.06 0.25 -0.05 0.00 0.00 0.00 0.00 44.72 44.87 3kjs s GLY 77 CO -0.01 0.57 1.87 -0.09 0.00 0.00 0.00 173.10 175.45 3kjs h ARG 78 N -0.26 1.07 -0.29 2.90 2.43 -1.66 -1.81 114.38 116.77 3kjs h ARG 78 Ca -0.45 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 58.63 3kjs h ARG 78 Cb 1.22 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 30.51 3kjs h ARG 78 CO 0.56 0.71 0.07 0.87 -1.51 0.00 0.00 179.97 180.68 3kjs h LYS 79 N 1.11 0.41 -0.26 0.20 1.57 -1.93 0.17 116.57 117.83 3kjs h LYS 79 Ca 0.39 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 58.94 3kjs h LYS 79 Cb 0.11 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 3kjs h LYS 79 CO -0.16 0.38 -0.53 1.15 -0.57 0.00 0.00 179.45 179.73 3kjs h THR 80 N 0.41 1.29 -0.73 -0.16 2.02 -1.73 -2.09 112.91 111.92 3kjs h THR 80 Ca 0.10 -1.73 -0.02 0.00 0.77 0.00 0.00 66.41 65.53 3kjs h THR 80 Cb 0.15 1.65 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 3kjs h THR 80 CO -0.00 0.56 0.39 -0.25 0.37 0.00 0.00 175.52 176.59 3kjs h TRP 81 N 0.59 1.00 -0.50 3.16 2.91 -0.72 -2.63 115.95 119.77 3kjs h TRP 81 Ca 0.02 -0.03 -0.04 0.00 1.13 0.00 0.00 58.89 59.97 3kjs h TRP 81 Cb 1.11 -0.32 -0.02 0.00 -0.51 0.00 0.00 29.16 29.42 3kjs h TRP 81 CO 0.06 0.71 0.13 -0.44 -1.03 0.00 0.00 178.44 177.88 3kjs h ASP 82 N 1.00 0.69 0.83 2.65 3.32 -0.94 -2.89 116.42 121.08 3kjs h ASP 82 Ca 0.26 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3kjs h ASP 82 Cb 0.04 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.42 3kjs h ASP 82 CO -0.04 0.67 0.00 0.77 -1.72 0.00 0.00 179.24 178.92 3kjs h SER 83 N 0.73 0.00 -3.34 6.45 4.64 -1.00 -3.42 113.55 117.61 3kjs h SER 83 Ca 0.16 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.90 3kjs h SER 83 Cb 0.25 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.26 3kjs h SER 83 CO -0.01 0.00 0.29 -0.63 -0.87 0.00 0.00 176.83 175.62 3kjs s ILE 84 N -3.41 4.93 0.14 0.95 1.01 -1.09 -5.02 121.20 118.71 3kjs s ILE 84 Ca 0.03 1.50 -0.35 0.00 0.00 0.00 0.00 60.65 61.84 3kjs s ILE 84 Cb 0.09 -4.08 -0.15 0.00 0.01 0.00 0.00 42.46 38.33 3kjs s ILE 84 CO 0.44 0.07 1.41 -2.65 0.00 0.00 0.00 174.94 174.20 3kjs n PRO 85 N 5.04 1.60 -0.29 2.79 -0.02 -1.26 -4.83 135.00 138.03 3kjs n PRO 85 Ca 0.02 0.57 0.27 0.00 -2.02 0.00 0.00 63.50 62.35 3kjs n PRO 85 Cb 0.49 -2.24 0.61 0.00 -0.02 0.00 0.00 33.50 32.34 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 4.82 0.22 -0.64 0.52 0.11 -1.92 0.15 132.00 135.26 3kjs h PRO 86 Ca -0.46 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3kjs h PRO 86 Cb 1.30 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 3kjs h PRO 86 CO 0.80 0.14 0.38 -0.22 -0.21 0.00 0.00 178.00 178.89 3kjs h LYS 87 N 0.22 0.87 -0.01 1.05 3.64 -1.96 -3.01 116.57 117.38 3kjs h LYS 87 Ca 0.55 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.85 3kjs h LYS 87 Cb 1.71 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.35 3kjs h LYS 87 CO -0.16 0.62 -0.36 1.19 -2.27 0.00 0.00 179.45 178.47 3kjs n PHE 88 N -4.40 0.00 -4.16 1.91 3.72 0.52 -4.90 117.46 110.15 3kjs n PHE 88 Ca 0.06 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.14 3kjs n PHE 88 Cb 0.08 -0.12 -0.08 0.00 -0.94 0.00 0.00 39.48 38.42 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 -2.60 2.93 0.74 -1.08 1.70 -1.13 -3.80 118.95 115.71 3kjs s ARG 89 Ca 0.21 -0.56 -0.11 0.00 -0.47 0.00 0.00 55.73 54.79 3kjs s ARG 89 Cb 0.19 -2.77 0.04 0.00 -0.57 0.00 0.00 34.95 31.84 3kjs s ARG 89 CO 0.57 0.63 1.09 -1.25 -1.08 0.00 0.00 175.30 175.26 3kjs s PRO 90 N -1.75 2.47 -0.23 3.89 0.04 -1.26 -4.94 135.00 133.21 3kjs s PRO 90 Ca 0.22 1.18 -0.29 0.00 0.04 0.00 0.00 61.00 62.16 3kjs s PRO 90 Cb -0.12 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 3kjs s PRO 90 CO 0.13 -1.48 1.77 -0.51 0.04 0.00 0.00 177.00 176.95 3kjs s LEU 91 N -5.65 3.76 0.66 -3.56 1.43 -1.25 -4.93 118.68 109.15 3kjs s LEU 91 Ca 0.62 1.64 -0.18 0.00 -1.03 0.00 0.00 54.13 55.18 3kjs s LEU 91 Cb -0.17 -3.53 -0.00 0.00 0.03 0.00 0.00 46.19 42.52 3kjs s LEU 91 CO 0.53 -1.46 1.27 -0.81 0.23 0.00 0.00 176.35 176.11 3kjs n PRO 92 N 8.02 1.02 -0.95 1.29 -0.04 -1.26 -3.26 135.00 139.82 3kjs n PRO 92 Ca 0.21 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 64.08 3kjs n PRO 92 Cb 0.45 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.40 3kjs n PRO 92 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kjs n GLY 93 N 0.91 0.83 3.02 0.55 0.00 -1.26 -4.98 105.19 104.26 3kjs n GLY 93 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 3kjs n GLY 93 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kjs s ARG 94 N -0.13 0.42 -0.11 1.61 0.52 -1.20 -4.49 118.95 115.57 3kjs s ARG 94 Ca 0.00 -0.67 -0.30 0.00 -0.52 0.00 0.00 55.73 54.24 3kjs s ARG 94 Cb 0.00 -0.11 -0.03 0.00 0.52 0.00 0.00 34.95 35.34 3kjs s ARG 94 CO 0.00 0.00 1.35 -1.17 0.02 0.00 0.00 175.30 175.50 3kjs s LEU 95 N -1.48 4.24 -0.47 2.53 2.96 -0.35 -4.79 118.68 121.31 3kjs s LEU 95 Ca -0.12 1.86 -0.20 0.00 -0.22 0.00 0.00 54.13 55.45 3kjs s LEU 95 Cb -0.10 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.09 3kjs s LEU 95 CO -0.00 -0.76 0.65 0.20 -1.32 0.00 0.00 176.35 175.11 3kjs s ASN 96 N 2.16 6.28 -0.30 3.68 0.02 -0.29 -0.54 114.94 125.95 3kjs s ASN 96 Ca 0.60 -0.55 -0.11 0.00 -1.02 0.00 0.00 52.86 51.78 3kjs s ASN 96 Cb -0.25 -2.31 -0.03 0.00 0.02 0.00 0.00 41.25 38.67 3kjs s ASN 96 CO 0.20 -0.84 0.18 -0.69 0.02 0.00 0.00 177.10 175.97 3kjs s VAL 97 N 2.81 5.06 -0.18 1.60 1.01 0.14 -0.94 120.40 129.89 3kjs s VAL 97 Ca 0.20 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.09 3kjs s VAL 97 Cb -0.16 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 3kjs s VAL 97 CO 0.16 0.16 -0.09 -0.69 0.00 0.00 0.00 175.10 174.65 3kjs s VAL 98 N 1.71 3.21 -0.14 2.92 1.01 -0.07 -0.61 120.40 128.42 3kjs s VAL 98 Ca 0.06 -0.58 -0.24 0.00 0.00 0.00 0.00 61.98 61.23 3kjs s VAL 98 Cb -0.16 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 3kjs s VAL 98 CO 0.09 0.48 0.75 -0.76 0.00 0.00 0.00 175.10 175.66 3kjs s LEU 99 N 0.92 4.21 -0.28 3.92 1.43 0.75 -0.95 118.68 128.69 3kjs s LEU 99 Ca -0.02 1.12 -0.20 0.00 -1.03 0.00 0.00 54.13 54.00 3kjs s LEU 99 Cb -0.15 -3.13 0.11 0.00 0.03 0.00 0.00 46.19 43.05 3kjs s LEU 99 CO 0.00 -0.29 0.87 -0.55 0.23 0.00 0.00 176.35 176.62 3kjs s SER 100 N 1.06 -0.65 0.42 2.29 0.15 -0.50 -1.58 113.70 114.88 3kjs s SER 100 Ca 0.36 1.13 0.22 0.00 0.70 0.00 0.00 55.95 58.36 3kjs s SER 100 Cb -0.17 1.21 0.30 0.00 -1.71 0.00 0.00 66.02 65.65 3kjs s SER 100 CO 0.14 -0.19 1.58 0.77 1.20 0.00 0.00 173.24 176.74 3kjs h SER 101 N 5.56 0.00 0.00 5.45 4.64 -1.90 -3.33 113.55 123.97 3kjs h SER 101 Ca -0.29 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.90 3kjs h SER 101 Cb 1.19 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 3kjs h SER 101 CO 0.13 0.05 -1.50 0.35 -0.87 0.00 0.00 176.83 174.99 3kjs n THR 102 N -3.10 0.50 -2.72 2.95 -2.24 -1.26 -5.01 114.28 103.41 3kjs n THR 102 Ca 0.04 -0.21 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 3kjs n THR 102 Cb 0.55 -0.81 -0.03 0.00 -2.10 0.00 0.00 70.33 67.94 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 -5.39 4.24 0.42 3.22 2.01 -1.26 -5.05 118.68 116.87 3kjs s LEU 103 Ca -0.11 1.49 0.01 0.00 0.01 0.00 0.00 54.13 55.53 3kjs s LEU 103 Cb 0.03 -3.51 -0.01 0.00 0.01 0.00 0.00 46.19 42.71 3kjs s LEU 103 CO 0.21 -0.43 0.62 0.42 1.01 0.00 0.00 176.35 178.18 3kjs s THR 104 N 1.99 4.21 0.22 5.49 -4.23 -1.26 -4.73 115.64 117.33 3kjs s THR 104 Ca 0.47 -0.56 -0.07 0.00 -1.18 0.00 0.00 61.69 60.35 3kjs s THR 104 Cb -0.18 -3.54 0.17 0.00 1.34 0.00 0.00 72.50 70.29 3kjs s THR 104 CO 0.17 -0.35 1.76 0.74 -0.54 0.00 0.00 174.62 176.40 3kjs h THR 105 N 0.53 0.79 -0.35 3.99 2.02 -1.94 -2.13 112.91 115.81 3kjs h THR 105 Ca -0.47 -0.17 -0.13 0.00 0.77 0.00 0.00 66.41 66.41 3kjs h THR 105 Cb 1.25 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 3kjs h THR 105 CO 0.57 0.09 -0.32 -0.61 0.37 0.00 0.00 175.52 175.62 3kjs h GLN 106 N 0.50 0.78 0.00 6.66 5.75 -1.96 -3.06 115.11 123.79 3kjs h GLN 106 Ca 0.34 -0.36 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 3kjs h GLN 106 Cb 0.41 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.95 3kjs h GLN 106 CO -0.30 0.99 0.00 0.45 -2.65 0.00 0.00 178.83 177.31 3kjs h HIS 107 N 0.65 0.00 -0.08 3.99 3.86 -1.83 -3.02 115.15 118.74 3kjs h HIS 107 Ca 0.07 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 59.05 3kjs h HIS 107 Cb 0.86 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.34 3kjs h HIS 107 CO 0.05 0.00 -0.88 -0.07 0.86 0.00 0.00 177.93 177.89 3kjs h LEU 108 N 0.00 0.82 0.00 2.43 3.38 -1.29 -3.21 115.31 117.44 3kjs h LEU 108 Ca 0.00 -0.59 0.00 0.00 0.09 0.00 0.00 57.88 57.38 3kjs h LEU 108 Cb 0.57 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3kjs h LEU 108 CO 0.00 1.38 0.00 0.18 0.09 0.00 0.00 178.44 180.09 3kjs n LEU 109 N -3.87 0.00 -1.44 1.67 4.77 -1.14 -2.12 117.00 114.87 3kjs n LEU 109 Ca -0.08 0.38 0.09 0.00 -0.03 0.00 0.00 56.01 56.37 3kjs n LEU 109 Cb 0.80 -0.38 0.33 0.00 -2.33 0.00 0.00 43.42 41.84 3kjs n LEU 109 CO 0.53 -0.31 0.79 0.47 -1.33 0.00 0.00 177.39 177.55 3kjs n ASP 110 N -1.38 4.46 0.01 -1.43 8.00 -1.21 -5.15 116.55 119.85 3kjs n ASP 110 Ca 0.02 -2.37 -0.22 0.00 0.71 0.00 0.00 54.79 52.93 3kjs n ASP 110 Cb 0.06 -0.54 -0.14 0.00 -0.02 0.00 0.00 41.12 40.48 3kjs n ASP 110 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3kjs h GLY 111 N 3.84 0.30 0.00 0.44 0.00 -1.61 -3.52 103.07 102.52 3kjs h GLY 111 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 46.57 3kjs h GLY 111 CO 0.18 0.67 0.00 0.00 0.00 0.00 0.00 176.54 177.38 3kjs n ALA 122 N -3.01 0.00 -3.45 3.60 0.00 -1.26 -5.04 120.51 111.35 3kjs n ALA 122 Ca -0.29 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.72 3kjs n ALA 122 Cb 0.98 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.39 3kjs n ALA 122 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kjs s ASP 123 N 0.00 6.35 -0.05 0.00 -1.08 -1.26 -4.76 116.67 115.87 3kjs s ASP 123 Ca 0.00 -2.86 0.08 0.00 -0.52 0.00 0.00 52.55 49.25 3kjs s ASP 123 Cb 0.00 -2.10 0.12 0.00 -1.46 0.00 0.00 42.92 39.48 3kjs s ASP 123 CO 0.00 -0.48 0.99 -1.20 0.52 0.00 0.00 175.17 175.01 3kjs n SER 124 N 3.66 1.39 -3.90 -0.34 7.64 -1.26 -4.97 113.62 115.84 3kjs n SER 124 Ca 0.13 -2.31 -0.17 0.00 1.01 0.00 0.00 58.87 57.53 3kjs n SER 124 Cb 0.43 -0.22 -0.15 0.00 -1.01 0.00 0.00 64.21 63.26 3kjs n SER 124 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3kjs s ILE 125 N -1.38 0.40 -0.02 0.44 1.01 -1.26 -1.14 121.20 119.24 3kjs s ILE 125 Ca 0.13 -0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.67 3kjs s ILE 125 Cb 0.11 -0.40 0.02 0.00 0.01 0.00 0.00 42.46 42.20 3kjs s ILE 125 CO 0.01 0.16 -0.01 -0.69 0.00 0.00 0.00 174.94 174.41 3kjs s VAL 126 N 0.49 0.19 -0.08 2.92 1.01 -0.12 -4.96 120.40 119.84 3kjs s VAL 126 Ca -0.06 0.02 -0.14 0.00 0.00 0.00 0.00 61.98 61.80 3kjs s VAL 126 Cb -0.09 -0.25 -0.05 0.00 0.00 0.00 0.00 36.38 35.99 3kjs s VAL 126 CO -0.00 0.12 0.36 0.00 0.00 0.00 0.00 175.10 175.58 3kjs s ALA 127 N 0.69 3.64 -0.17 5.51 0.00 -1.26 -0.89 121.76 129.28 3kjs s ALA 127 Ca -0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 51.96 51.56 3kjs s ALA 127 Cb -0.10 -2.41 -0.01 0.00 0.00 0.00 0.00 23.12 20.61 3kjs s ALA 127 CO -0.01 0.28 -0.11 0.08 0.00 0.00 0.00 175.76 176.00 3kjs s VAL 128 N -0.25 3.06 -1.15 0.00 1.01 -0.12 -4.69 120.40 118.26 3kjs s VAL 128 Ca 0.21 -0.63 -0.20 0.00 0.00 0.00 0.00 61.98 61.36 3kjs s VAL 128 Cb -0.15 -2.32 0.08 0.00 0.00 0.00 0.00 36.38 33.99 3kjs s VAL 128 CO 0.09 0.49 1.54 0.21 0.00 0.00 0.00 175.10 177.43 3kjs s ASN 129 N 0.82 6.71 0.00 3.32 2.47 -1.25 -1.42 114.94 125.59 3kjs s ASN 129 Ca -0.04 -2.07 0.00 0.00 0.42 0.00 0.00 52.86 51.18 3kjs s ASN 129 Cb -0.15 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.11 3kjs s ASN 129 CO 0.01 -1.26 0.00 0.61 -3.72 0.00 0.00 177.10 172.74 3kjs n GLY 130 N 5.88 -0.56 0.00 1.21 0.00 -1.26 -4.99 105.19 105.47 3kjs n GLY 130 Ca 0.39 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.47 0.79 0.37 -0.02 0.00 -1.26 -4.26 105.19 100.33 3kjs n GLY 131 Ca 0.00 -1.93 0.09 0.00 0.00 0.00 0.00 46.02 44.18 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 0.73 -0.44 0.99 5.85 -1.95 -1.38 115.31 119.12 3kjs h LEU 132 Ca 0.00 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.75 3kjs h LEU 132 Cb 0.00 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 3kjs h LEU 132 CO 0.00 0.42 0.29 -0.08 -0.34 0.00 0.00 178.44 178.73 3kjs h GLU 133 N 0.80 0.57 -0.71 1.25 4.81 -1.93 0.12 114.58 119.48 3kjs h GLU 133 Ca 0.41 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.60 3kjs h GLU 133 Cb 0.49 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 3kjs h GLU 133 CO -0.17 0.38 0.42 1.96 -0.73 0.00 0.00 179.01 180.87 3kjs h GLN 134 N 0.59 0.98 -0.67 1.92 7.50 -1.64 -0.49 115.11 123.30 3kjs h GLN 134 Ca 0.16 -0.09 -0.02 0.00 0.50 0.00 0.00 58.65 59.20 3kjs h GLN 134 Cb -0.06 -0.20 -0.03 0.00 0.05 0.00 0.00 27.48 27.24 3kjs h GLN 134 CO -0.04 0.70 0.35 0.00 -1.50 0.00 0.00 178.83 178.34 3kjs h ALA 135 N 1.22 0.86 -0.07 3.87 0.00 -0.72 -1.46 119.26 122.96 3kjs h ALA 135 Ca 0.26 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3kjs h ALA 135 Cb -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3kjs h ALA 135 CO -0.05 0.40 -0.52 -0.07 0.00 0.00 0.00 179.25 179.02 3kjs h LEU 136 N 0.92 0.20 -0.14 0.00 3.38 -0.49 -0.81 115.31 118.37 3kjs h LEU 136 Ca 0.23 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3kjs h LEU 136 Cb 0.07 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3kjs h LEU 136 CO -0.03 0.68 0.07 -0.61 0.09 0.00 0.00 178.44 178.64 3kjs h GLN 137 N 0.14 0.21 -0.69 1.13 4.15 -0.84 -1.56 115.11 117.65 3kjs h GLN 137 Ca 0.00 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 3kjs h GLN 137 Cb 0.96 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.58 3kjs h GLN 137 CO 0.08 0.26 0.34 1.25 -1.93 0.00 0.00 178.83 178.82 3kjs h LEU 138 N 0.10 0.90 -0.81 -2.39 5.85 -1.00 -2.61 115.31 115.35 3kjs h LEU 138 Ca 0.05 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3kjs h LEU 138 Cb 0.12 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.92 3kjs h LEU 138 CO -0.01 0.77 0.00 -0.07 -0.34 0.00 0.00 178.44 178.80 3kjs h LEU 139 N 0.96 0.00 -0.26 2.25 3.38 -1.05 -2.55 115.31 118.03 3kjs h LEU 139 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3kjs h LEU 139 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3kjs h LEU 139 CO -0.03 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.50 3kjs h ALA 140 N 2.21 1.00 -2.44 1.53 0.00 -0.91 -3.26 119.26 117.39 3kjs h ALA 140 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 3kjs h ALA 140 Cb 0.48 0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.39 3kjs h ALA 140 CO 0.00 0.00 0.36 -1.54 0.00 0.00 0.00 179.25 178.07 3kjs s SER 141 N -5.24 4.88 0.61 0.00 1.04 -0.96 -4.64 113.70 109.39 3kjs s SER 141 Ca 0.07 1.99 0.30 0.00 0.48 0.00 0.00 55.95 58.79 3kjs s SER 141 Cb 0.09 -2.55 1.65 0.00 0.10 0.00 0.00 66.02 65.32 3kjs s SER 141 CO 0.59 -1.79 2.04 1.55 0.98 0.00 0.00 173.24 176.61 3kjs h PRO 142 N -0.27 0.00 0.00 4.02 0.13 -1.90 0.75 132.00 134.74 3kjs h PRO 142 Ca -0.46 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 3kjs h PRO 142 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 3kjs h PRO 142 CO 0.53 0.00 -0.28 -0.97 -0.23 0.00 0.00 178.00 177.05 3kjs h ASN 143 N 0.00 0.00 0.00 1.44 -0.73 -1.91 -3.31 115.58 111.07 3kjs h ASN 143 Ca 0.10 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.27 3kjs h ASN 143 Cb 0.67 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.26 3kjs h ASN 143 CO -0.00 0.28 -0.32 -1.22 -0.37 0.00 0.00 177.43 175.80 3kjs n TYR 144 N -4.02 0.00 -4.15 0.67 4.01 -0.49 -4.76 117.16 108.42 3kjs n TYR 144 Ca -0.02 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.39 3kjs n TYR 144 Cb 0.35 -0.01 -0.16 0.00 -0.31 0.00 0.00 39.34 39.21 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 -1.36 2.22 -1.91 -0.72 2.01 0.14 -1.24 115.64 114.78 3kjs s THR 145 Ca 0.00 -0.89 0.21 0.00 0.31 0.00 0.00 61.69 61.32 3kjs s THR 145 Cb 0.01 -1.94 0.57 0.00 0.01 0.00 0.00 72.50 71.15 3kjs s THR 145 CO 0.04 0.53 1.48 -0.81 -0.69 0.00 0.00 174.62 175.17 3kjs n PRO 146 N 4.58 2.69 0.25 4.92 -0.04 -1.26 -4.23 135.00 141.91 3kjs n PRO 146 Ca -0.21 -2.53 0.17 0.00 -0.04 0.00 0.00 63.50 60.90 3kjs n PRO 146 Cb 0.50 -1.52 0.89 0.00 -0.04 0.00 0.00 33.50 33.33 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 4.03 0.00 -3.58 3.54 4.64 -1.79 -3.35 113.55 117.05 3kjs h SER 147 Ca 0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 3kjs h SER 147 Cb 0.96 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.91 3kjs h SER 147 CO 0.00 0.00 0.04 -0.63 -0.87 0.00 0.00 176.83 175.37 3kjs s ILE 148 N -4.56 4.97 -0.07 0.95 -1.09 -0.37 -2.18 121.20 118.85 3kjs s ILE 148 Ca -0.05 0.55 -0.21 0.00 -2.23 0.00 0.00 60.65 58.71 3kjs s ILE 148 Cb 0.15 -3.99 -0.17 0.00 -1.58 0.00 0.00 42.46 36.87 3kjs s ILE 148 CO 0.52 -0.20 0.81 -0.08 -1.23 0.00 0.00 174.94 174.76 3kjs h GLU 149 N 8.37 -0.13 -4.28 2.79 4.81 -0.98 -3.46 114.58 121.70 3kjs h GLU 149 Ca -0.27 0.01 -0.44 0.00 -0.13 0.00 0.00 59.36 58.53 3kjs h GLU 149 Cb 1.12 0.03 -0.33 0.00 0.63 0.00 0.00 28.75 30.20 3kjs h GLU 149 CO 0.79 0.38 -0.79 0.99 -0.73 0.00 0.00 179.01 179.66 3kjs s THR 150 N -3.09 0.73 -0.12 0.32 2.01 -1.26 -4.54 115.64 109.69 3kjs s THR 150 Ca -0.13 -0.27 -0.20 0.00 0.31 0.00 0.00 61.69 61.40 3kjs s THR 150 Cb -0.00 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.77 3kjs s THR 150 CO 0.49 0.26 0.56 -0.69 -0.69 0.00 0.00 174.62 174.56 3kjs s VAL 151 N 0.66 5.12 -0.19 3.82 1.01 -1.26 -1.66 120.40 127.90 3kjs s VAL 151 Ca -0.10 1.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.98 3kjs s VAL 151 Cb -0.13 -3.90 -0.00 0.00 0.00 0.00 0.00 36.38 32.35 3kjs s VAL 151 CO 0.01 0.27 -0.10 -0.31 0.00 0.00 0.00 175.10 174.97 3kjs s TYR 152 N 0.86 2.88 -0.11 5.22 2.02 0.72 -0.21 117.35 128.73 3kjs s TYR 152 Ca 0.30 -1.09 -0.30 0.00 -0.37 0.00 0.00 57.07 55.61 3kjs s TYR 152 Cb -0.16 -2.01 -0.01 0.00 -0.40 0.00 0.00 41.96 39.38 3kjs s TYR 152 CO 0.13 -0.57 1.05 0.00 -1.57 0.00 0.00 175.55 174.59 3kjs n ILE 154 N 4.66 0.00 -0.27 0.00 -5.35 -0.65 -1.41 119.36 116.34 3kjs n ILE 154 Ca 0.10 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.45 3kjs n ILE 154 Cb 0.48 1.28 0.00 0.00 -1.74 0.00 0.00 39.64 39.66 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 0.16 -2.78 0.00 3.28 0.00 -1.00 -4.95 105.19 99.91 3kjs n GLY 155 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 1.71 -1.03 0.28 -0.02 0.00 -1.26 -4.64 105.19 100.23 3kjs n GLY 156 Ca 0.00 -1.65 0.03 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.01 1.14 1.54 -0.02 0.00 -1.96 -0.70 103.07 103.06 3kjs h GLY 157 Ca 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 3kjs h GLY 157 CO 0.00 0.01 -0.02 1.48 0.00 0.00 0.00 176.54 178.02 3kjs h SER 158 N 0.58 0.54 -0.09 0.19 4.64 -1.95 -0.23 113.55 117.23 3kjs h SER 158 Ca 0.38 -0.11 -0.12 0.00 -0.47 0.00 0.00 61.79 61.47 3kjs h SER 158 Cb 0.46 -0.14 0.01 0.00 -0.31 0.00 0.00 62.40 62.42 3kjs h SER 158 CO -0.31 0.62 -0.42 0.58 -0.87 0.00 0.00 176.83 176.43 3kjs h VAL 159 N 0.54 1.39 -0.90 0.95 2.07 -1.66 -2.49 116.25 116.14 3kjs h VAL 159 Ca 0.11 -1.78 0.03 0.00 0.82 0.00 0.00 66.70 65.88 3kjs h VAL 159 Cb 0.38 2.25 -0.05 0.00 -1.52 0.00 0.00 31.29 32.35 3kjs h VAL 159 CO 0.01 0.53 0.59 1.88 0.02 0.00 0.00 177.57 180.60 3kjs h TYR 160 N -0.00 1.10 -0.70 1.57 0.05 -0.99 -0.63 116.97 117.36 3kjs h TYR 160 Ca -0.03 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.73 3kjs h TYR 160 Cb 1.07 -0.37 -0.03 0.00 1.01 0.00 0.00 36.73 38.41 3kjs h TYR 160 CO 0.12 0.63 0.25 0.00 -1.05 0.00 0.00 178.16 178.11 3kjs h ALA 161 N 1.37 1.11 0.00 3.88 0.00 -1.01 -1.70 119.26 122.91 3kjs h ALA 161 Ca 0.36 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 3kjs h ALA 161 Cb 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3kjs h ALA 161 CO -0.12 0.62 -0.54 1.49 0.00 0.00 0.00 179.25 180.70 3kjs h GLU 162 N 1.03 0.00 0.00 0.00 4.81 -1.01 -2.76 114.58 116.64 3kjs h GLU 162 Ca 0.23 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.40 3kjs h GLU 162 Cb 0.25 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 3kjs h GLU 162 CO -0.01 0.54 -0.28 0.00 -0.73 0.00 0.00 179.01 178.53 3kjs h ALA 163 N 1.46 1.38 -0.02 2.92 0.00 -0.26 -3.13 119.26 121.61 3kjs h ALA 163 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3kjs h ALA 163 Cb 0.97 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3kjs h ALA 163 CO 0.07 0.35 -0.03 1.28 0.00 0.00 0.00 179.25 180.92 3kjs n LEU 164 N -3.98 2.01 -4.41 0.00 4.77 -0.80 -2.89 117.00 111.70 3kjs n LEU 164 Ca -0.02 -0.67 -0.30 0.00 -0.03 0.00 0.00 56.01 55.00 3kjs n LEU 164 Cb 0.35 -0.01 -0.13 0.00 -2.33 0.00 0.00 43.42 41.30 3kjs n LEU 164 CO 0.36 0.34 -0.54 0.00 -1.33 0.00 0.00 177.39 176.21 3kjs s ARG 165 N -2.04 1.65 0.53 3.23 1.70 -1.18 -4.78 118.95 118.06 3kjs s ARG 165 Ca 0.33 -1.21 -0.21 0.00 -0.47 0.00 0.00 55.73 54.16 3kjs s ARG 165 Cb 0.20 -2.00 -0.06 0.00 -0.57 0.00 0.00 34.95 32.52 3kjs s ARG 165 CO 0.34 0.48 1.13 -2.30 -1.08 0.00 0.00 175.30 173.87 3kjs n PRO 166 N 1.17 1.35 0.09 3.89 -0.02 -1.26 -2.47 135.00 137.75 3kjs n PRO 166 Ca -0.17 0.50 0.12 0.00 -2.02 0.00 0.00 63.50 61.93 3kjs n PRO 166 Cb 0.53 -2.30 0.27 0.00 -0.02 0.00 0.00 33.50 31.98 3kjs n PRO 166 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3kjs h PRO 167 N 1.16 0.00 -0.89 0.52 0.13 -1.98 -3.46 132.00 127.47 3kjs h PRO 167 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 3kjs h PRO 167 Cb 1.33 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.42 3kjs h PRO 167 CO 0.55 0.00 0.53 0.00 -0.23 0.00 0.00 178.00 178.85 3kjs h VAL 169 N 1.24 1.01 0.00 0.00 3.04 -1.34 -0.32 116.25 119.87 3kjs h VAL 169 Ca 0.32 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.90 3kjs h VAL 169 Cb -0.04 0.67 0.00 0.00 -2.01 0.00 0.00 31.29 29.92 3kjs h VAL 169 CO -0.06 0.06 0.00 1.41 -1.01 0.00 0.00 177.57 177.97 3kjs n HIS 170 N -4.49 0.15 0.72 3.17 8.25 -1.21 -2.04 115.22 119.78 3kjs n HIS 170 Ca 0.03 0.06 0.09 0.00 -0.26 0.00 0.00 57.72 57.64 3kjs n HIS 170 Cb 0.16 -0.59 0.09 0.00 1.12 0.00 0.00 29.99 30.77 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 -1.64 2.63 -4.59 2.41 7.99 -0.14 -4.93 117.00 118.74 3kjs n LEU 171 Ca 0.04 -1.06 -0.43 0.00 -0.01 0.00 0.00 56.01 54.55 3kjs n LEU 171 Cb 0.22 -0.02 -0.02 0.00 -0.11 0.00 0.00 43.42 43.49 3kjs n LEU 171 CO 0.18 0.47 1.09 -0.22 -1.51 0.00 0.00 177.39 177.40 3kjs s LEU 172 N -1.54 3.56 0.07 2.23 2.96 -0.86 -1.99 118.68 123.10 3kjs s LEU 172 Ca 0.23 0.40 0.03 0.00 -0.22 0.00 0.00 54.13 54.58 3kjs s LEU 172 Cb 0.16 -3.41 -0.24 0.00 0.50 0.00 0.00 46.19 43.20 3kjs s LEU 172 CO 0.24 -1.38 1.09 1.56 -1.32 0.00 0.00 176.35 176.54 3kjs h GLN 173 N 9.69 0.11 -1.80 1.98 1.08 -0.99 -3.44 115.11 121.74 3kjs h GLN 173 Ca -0.24 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 56.77 3kjs h GLN 173 Cb 1.07 0.07 -0.22 0.00 -0.05 0.00 0.00 27.48 28.35 3kjs h GLN 173 CO 1.14 1.01 0.33 0.00 -0.95 0.00 0.00 178.83 180.36 3kjs s ALA 174 N -2.67 -1.85 -0.20 3.87 0.00 -1.26 -4.31 121.76 115.34 3kjs s ALA 174 Ca -0.03 1.58 0.01 0.00 0.00 0.00 0.00 51.96 53.53 3kjs s ALA 174 Cb 0.08 -0.59 0.03 0.00 0.00 0.00 0.00 23.12 22.64 3kjs s ALA 174 CO 0.84 -0.33 -0.17 0.42 0.00 0.00 0.00 175.76 176.53 3kjs s ILE 175 N -0.75 2.16 -0.46 0.00 1.01 -0.20 -0.40 121.20 122.55 3kjs s ILE 175 Ca -0.05 -1.10 -0.16 0.00 0.00 0.00 0.00 60.65 59.34 3kjs s ILE 175 Cb -0.02 -2.01 0.06 0.00 0.01 0.00 0.00 42.46 40.50 3kjs s ILE 175 CO 0.04 0.38 0.42 -0.31 0.00 0.00 0.00 174.94 175.47 3kjs s TYR 176 N 1.25 3.20 -0.18 3.97 1.51 0.70 -0.22 117.35 127.59 3kjs s TYR 176 Ca 0.01 -0.76 -0.02 0.00 -1.01 0.00 0.00 57.07 55.29 3kjs s TYR 176 Cb -0.15 -3.12 -0.01 0.00 -0.11 0.00 0.00 41.96 38.57 3kjs s TYR 176 CO -0.10 -0.80 -0.09 0.50 -1.11 0.00 0.00 175.55 173.95 3kjs s ARG 177 N 1.86 3.35 -0.19 -0.62 3.52 0.21 -1.72 118.95 125.37 3kjs s ARG 177 Ca 0.07 -0.66 -0.14 0.00 -0.13 0.00 0.00 55.73 54.87 3kjs s ARG 177 Cb -0.22 -2.83 -0.04 0.00 -1.56 0.00 0.00 34.95 30.29 3kjs s ARG 177 CO 0.09 -0.05 0.31 0.99 -0.81 0.00 0.00 175.30 175.82 3kjs s THR 178 N 1.05 5.28 -0.25 4.11 2.01 0.32 -0.69 115.64 127.46 3kjs s THR 178 Ca -0.00 0.54 -0.08 0.00 0.31 0.00 0.00 61.69 62.47 3kjs s THR 178 Cb -0.15 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 3kjs s THR 178 CO -0.01 0.34 0.08 -0.89 -0.69 0.00 0.00 174.62 173.44 3kjs s THR 179 N 0.84 4.38 -0.22 -0.82 2.01 -0.37 0.14 115.64 121.60 3kjs s THR 179 Ca 0.16 -0.15 -0.13 0.00 0.31 0.00 0.00 61.69 61.88 3kjs s THR 179 Cb -0.14 -3.05 -0.05 0.00 0.01 0.00 0.00 72.50 69.28 3kjs s THR 179 CO 0.05 0.33 0.26 -0.63 -0.69 0.00 0.00 174.62 173.95 3kjs s ILE 180 N 1.62 5.29 -1.33 1.82 -1.09 0.99 -1.50 121.20 127.01 3kjs s ILE 180 Ca 0.06 0.41 -0.15 0.00 -2.23 0.00 0.00 60.65 58.74 3kjs s ILE 180 Cb -0.15 -3.60 0.09 0.00 -1.58 0.00 0.00 42.46 37.22 3kjs s ILE 180 CO 0.04 0.31 1.85 0.54 -1.23 0.00 0.00 174.94 176.44 3kjs n ARG 181 N 4.35 3.19 -4.01 2.79 1.74 0.13 -3.52 116.66 121.32 3kjs n ARG 181 Ca -0.12 -3.22 -0.09 0.00 -0.77 0.00 0.00 57.85 53.65 3kjs n ARG 181 Cb 0.52 -3.28 -0.08 0.00 -1.02 0.00 0.00 32.46 28.59 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 2.95 0.27 -0.26 7.54 0.00 -1.26 -4.50 121.76 126.50 3kjs s ALA 182 Ca 0.48 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 51.40 3kjs s ALA 182 Cb 0.06 0.75 0.07 0.00 0.00 0.00 0.00 23.12 24.00 3kjs s ALA 182 CO 0.01 -0.55 -0.03 -1.12 0.00 0.00 0.00 175.76 174.06 3kjs s SER 183 N -2.97 4.07 -0.46 0.00 0.01 -1.26 -3.13 113.70 109.96 3kjs s SER 183 Ca 0.16 -1.37 -0.14 0.00 1.31 0.00 0.00 55.95 55.91 3kjs s SER 183 Cb 0.05 -1.26 0.07 0.00 0.21 0.00 0.00 66.02 65.09 3kjs s SER 183 CO -0.02 -0.26 0.37 -1.61 0.41 0.00 0.00 173.24 172.13 3kjs s GLU 184 N 1.31 2.92 0.34 12.44 0.41 -1.26 -4.92 118.70 129.93 3kjs s GLU 184 Ca -0.03 -1.37 0.10 0.00 -0.41 0.00 0.00 54.97 53.27 3kjs s GLU 184 Cb -0.19 -4.08 0.87 0.00 -1.78 0.00 0.00 34.13 28.95 3kjs s GLU 184 CO -0.08 -1.01 1.78 0.77 -0.49 0.00 0.00 175.26 176.22 3kjs h SER 185 N 8.70 0.67 -0.61 -0.19 0.02 -2.01 -2.16 113.55 117.95 3kjs h SER 185 Ca -0.28 0.10 0.17 0.00 -0.84 0.00 0.00 61.79 60.94 3kjs h SER 185 Cb 1.11 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.60 3kjs h SER 185 CO 0.86 0.20 0.44 -1.28 -1.14 0.00 0.00 176.83 175.90 3kjs h SER 186 N 0.63 0.05 -2.77 3.07 0.87 -1.97 -3.43 113.55 109.99 3kjs h SER 186 Ca 0.58 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.61 3kjs h SER 186 Cb 1.10 -0.01 0.03 0.00 -0.44 0.00 0.00 62.40 63.07 3kjs h SER 186 CO -0.36 0.02 0.93 0.00 -0.53 0.00 0.00 176.83 176.89 3kjs n SER 188 N 4.98 0.14 -4.39 0.00 3.41 -0.54 -4.96 113.62 112.27 3kjs n SER 188 Ca 0.15 -0.51 -0.32 0.00 -0.26 0.00 0.00 58.87 57.92 3kjs n SER 188 Cb 0.40 0.69 -0.14 0.00 -0.26 0.00 0.00 64.21 64.89 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 -0.69 2.68 0.12 -3.33 1.01 -0.98 -4.97 120.40 114.24 3kjs s VAL 189 Ca 0.00 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.19 3kjs s VAL 189 Cb 0.00 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 3kjs s VAL 189 CO 0.00 0.57 -0.15 -0.36 0.00 0.00 0.00 175.10 175.17 3kjs s PHE 190 N -0.42 1.43 -0.04 5.22 0.40 -1.26 -0.85 117.98 122.46 3kjs s PHE 190 Ca 0.05 -0.53 -0.01 0.00 -0.60 0.00 0.00 56.93 55.83 3kjs s PHE 190 Cb -0.12 -0.75 0.03 0.00 0.51 0.00 0.00 43.02 42.69 3kjs s PHE 190 CO 0.02 0.15 0.03 0.12 0.70 0.00 0.00 175.22 176.24 3kjs s PHE 191 N -2.01 0.23 -0.05 0.36 5.36 0.35 -4.90 117.98 117.32 3kjs s PHE 191 Ca 0.08 0.10 0.01 0.00 -0.96 0.00 0.00 56.93 56.16 3kjs s PHE 191 Cb -0.06 -0.48 0.02 0.00 -0.34 0.00 0.00 43.02 42.16 3kjs s PHE 191 CO 0.03 -0.18 -0.04 1.03 -1.46 0.00 0.00 175.22 174.60 3kjs s ARG 192 N 1.67 0.81 -0.23 10.12 0.52 -1.26 -4.69 118.95 125.89 3kjs s ARG 192 Ca -0.01 -0.09 -0.29 0.00 -0.52 0.00 0.00 55.73 54.82 3kjs s ARG 192 Cb -0.13 -0.84 0.01 0.00 0.52 0.00 0.00 34.95 34.51 3kjs s ARG 192 CO -0.03 -0.10 1.04 0.08 0.02 0.00 0.00 175.30 176.32 3kjs s VAL 193 N 0.98 4.68 0.33 3.52 1.01 -1.26 -5.02 120.40 124.64 3kjs s VAL 193 Ca -0.10 2.02 -0.29 0.00 0.00 0.00 0.00 61.98 63.61 3kjs s VAL 193 Cb -0.14 -4.31 -0.10 0.00 0.00 0.00 0.00 36.38 31.83 3kjs s VAL 193 CO -0.00 -0.17 1.32 -2.84 0.00 0.00 0.00 175.10 173.41 3kjs s PRO 194 N 3.17 4.34 0.51 2.72 0.02 -1.26 -5.03 135.00 139.47 3kjs s PRO 194 Ca 0.44 2.24 -0.09 0.00 0.02 0.00 0.00 61.00 63.61 3kjs s PRO 194 Cb -0.15 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.25 3kjs s PRO 194 CO 0.06 -0.22 0.87 -1.21 -0.33 0.00 0.00 177.00 176.18 3kjs s GLU 195 N -1.73 3.65 0.20 5.54 2.02 -1.26 -4.63 118.70 122.49 3kjs s GLU 195 Ca 0.50 0.49 -0.31 0.00 0.02 0.00 0.00 54.97 55.67 3kjs s GLU 195 Cb -0.40 -2.27 -0.16 0.00 0.10 0.00 0.00 34.13 31.40 3kjs s GLU 195 CO 0.53 -0.28 1.04 0.43 0.02 0.00 0.00 175.26 177.00 3kjs n SER 196 N -2.13 0.96 0.00 -0.19 7.64 -1.26 -2.52 113.62 116.11 3kjs n SER 196 Ca 0.03 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.06 3kjs n SER 196 Cb 0.54 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 3kjs n SER 196 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kjs n GLY 197 N 1.78 2.86 3.82 0.23 0.00 -1.26 -5.00 105.19 107.61 3kjs n GLY 197 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.94 4.19 0.21 2.61 -4.23 -1.05 -4.97 115.64 109.46 3kjs s THR 198 Ca 0.00 1.16 -0.10 0.00 -1.18 0.00 0.00 61.69 61.57 3kjs s THR 198 Cb 0.00 -3.56 0.16 0.00 1.34 0.00 0.00 72.50 70.44 3kjs s THR 198 CO 0.00 -0.49 1.88 -0.33 -0.54 0.00 0.00 174.62 175.14 3kjs h GLU 199 N 1.09 0.99 -0.03 3.99 5.08 -1.95 -2.38 114.58 121.37 3kjs h GLU 199 Ca -0.48 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 57.83 3kjs h GLU 199 Cb 1.20 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.22 3kjs h GLU 199 CO 0.60 0.66 0.11 0.00 -1.00 0.00 0.00 179.01 179.38 3kjs h ALA 200 N 1.29 1.27 0.00 3.43 0.00 -1.93 -2.40 119.26 120.92 3kjs h ALA 200 Ca 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3kjs h ALA 200 Cb -0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3kjs h ALA 200 CO -0.07 -0.13 -0.17 0.00 0.00 0.00 0.00 179.25 178.88 3kjs n ALA 201 N -2.10 2.50 -3.86 0.00 0.00 -0.90 -4.87 120.51 111.28 3kjs n ALA 201 Ca -0.02 -0.10 -0.29 0.00 0.00 0.00 0.00 53.44 53.03 3kjs n ALA 201 Cb 0.19 -1.38 0.03 0.00 0.00 0.00 0.00 19.45 18.29 3kjs n ALA 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kjs n ALA 202 N -1.75 -1.33 -0.82 0.00 0.00 -0.90 -1.31 120.51 114.39 3kjs n ALA 202 Ca 0.05 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3kjs n ALA 202 Cb 0.42 -4.50 0.00 0.00 0.00 0.00 0.00 19.45 15.37 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 -1.73 1.29 3.83 0.00 0.00 -1.26 -5.02 105.19 102.30 3kjs n GLY 203 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.80 4.90 -0.59 -0.61 1.01 -0.43 -5.00 121.20 116.69 3kjs s ILE 204 Ca 0.00 0.93 0.01 0.00 0.00 0.00 0.00 60.65 61.59 3kjs s ILE 204 Cb 0.00 -3.77 0.15 0.00 0.01 0.00 0.00 42.46 38.84 3kjs s ILE 204 CO 0.00 0.48 0.37 -0.70 0.00 0.00 0.00 174.94 175.08 3kjs s GLU 205 N -1.34 2.31 0.22 2.79 2.12 -1.26 -4.62 118.70 118.92 3kjs s GLU 205 Ca 0.29 -2.63 -0.30 0.00 0.36 0.00 0.00 54.97 52.69 3kjs s GLU 205 Cb -0.17 -3.53 -0.10 0.00 0.26 0.00 0.00 34.13 30.59 3kjs s GLU 205 CO 0.17 -1.15 1.43 -1.58 -0.54 0.00 0.00 175.26 173.59 3kjs s TRP 206 N -0.27 3.07 0.04 5.30 0.52 -1.26 -0.75 118.94 125.60 3kjs s TRP 206 Ca 0.18 1.01 0.03 0.00 0.02 0.00 0.00 56.10 57.33 3kjs s TRP 206 Cb -0.22 -3.79 -0.02 0.00 -1.15 0.00 0.00 33.47 28.28 3kjs s TRP 206 CO -0.02 -2.62 -0.10 -0.65 0.02 0.00 0.00 176.95 173.58 3kjs s GLN 207 N -0.07 0.66 -0.26 4.98 -0.21 0.29 -4.84 119.66 120.21 3kjs s GLN 207 Ca 0.60 -0.74 -0.29 0.00 0.02 0.00 0.00 55.36 54.96 3kjs s GLN 207 Cb -0.41 -0.56 0.01 0.00 1.00 0.00 0.00 33.01 33.06 3kjs s GLN 207 CO 0.40 0.12 1.06 0.50 -2.12 0.00 0.00 175.29 175.26 3kjs s ARG 208 N -1.37 4.18 -0.16 2.91 3.52 -1.26 0.27 118.95 127.05 3kjs s ARG 208 Ca -0.04 1.25 -0.24 0.00 -0.13 0.00 0.00 55.73 56.57 3kjs s ARG 208 Cb -0.09 -3.68 -0.23 0.00 -1.56 0.00 0.00 34.95 29.39 3kjs s ARG 208 CO 0.01 -0.74 0.51 1.49 -0.81 0.00 0.00 175.30 175.75 3kjs h GLU 209 N 7.73 0.04 -4.42 5.12 4.81 -1.23 -3.48 114.58 123.15 3kjs h GLU 209 Ca -0.20 -0.07 -0.28 0.00 -0.13 0.00 0.00 59.36 58.69 3kjs h GLU 209 Cb 1.06 0.03 -0.23 0.00 0.63 0.00 0.00 28.75 30.23 3kjs h GLU 209 CO 1.00 1.03 -0.74 0.95 -0.73 0.00 0.00 179.01 180.53 3kjs s THR 210 N -2.32 0.45 -0.03 0.32 -4.23 -1.10 -5.01 115.64 103.72 3kjs s THR 210 Ca -0.23 -0.81 0.01 0.00 -1.18 0.00 0.00 61.69 59.48 3kjs s THR 210 Cb 0.02 -0.49 0.02 0.00 1.34 0.00 0.00 72.50 73.38 3kjs s THR 210 CO 0.66 -0.25 -0.03 -0.51 -0.54 0.00 0.00 174.62 173.95 3kjs s ILE 211 N -1.02 0.38 0.74 2.99 2.07 -1.26 -1.61 121.20 123.48 3kjs s ILE 211 Ca -0.07 -0.07 -0.11 0.00 -1.41 0.00 0.00 60.65 58.99 3kjs s ILE 211 Cb -0.08 -0.41 0.03 0.00 0.13 0.00 0.00 42.46 42.14 3kjs s ILE 211 CO 0.00 0.17 1.09 -0.94 -1.91 0.00 0.00 174.94 173.35 3kjs s SER 212 N 0.72 5.09 0.72 4.50 1.04 -0.12 -5.01 113.70 120.65 3kjs s SER 212 Ca -0.08 1.31 -0.14 0.00 0.48 0.00 0.00 55.95 57.51 3kjs s SER 212 Cb -0.12 -2.11 0.04 0.00 0.10 0.00 0.00 66.02 63.93 3kjs s SER 212 CO -0.00 -1.59 1.17 -0.70 0.98 0.00 0.00 173.24 173.10 3kjs s GLU 213 N -5.21 2.26 -0.02 4.02 2.56 -1.26 -4.71 118.70 116.34 3kjs s GLU 213 Ca 0.59 1.61 -0.30 0.00 0.00 0.00 0.00 54.97 56.86 3kjs s GLU 213 Cb -0.13 -1.86 -0.05 0.00 2.00 0.00 0.00 34.13 34.09 3kjs s GLU 213 CO 0.53 -1.71 1.36 -2.00 -0.56 0.00 0.00 175.26 172.89 3kjs s GLU 214 N -4.06 4.29 0.31 4.30 2.12 -1.26 -4.72 118.70 119.68 3kjs s GLU 214 Ca 0.71 1.90 0.10 0.00 0.36 0.00 0.00 54.97 58.04 3kjs s GLU 214 Cb -0.25 -3.58 -0.05 0.00 0.26 0.00 0.00 34.13 30.50 3kjs s GLU 214 CO 0.45 -0.56 -0.06 -0.51 -0.54 0.00 0.00 175.26 174.05 3kjs s LEU 215 N 2.42 2.89 -0.14 2.70 1.43 -0.18 -4.96 118.68 122.84 3kjs s LEU 215 Ca 0.62 -0.95 -0.02 0.00 -1.03 0.00 0.00 54.13 52.75 3kjs s LEU 215 Cb -0.30 -1.32 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 3kjs s LEU 215 CO 0.25 -0.11 -0.08 -0.89 0.23 0.00 0.00 176.35 175.75 3kjs s THR 216 N -2.48 3.51 0.20 5.49 2.01 -1.26 -1.01 115.64 122.09 3kjs s THR 216 Ca 0.32 -0.50 -0.30 0.00 0.31 0.00 0.00 61.69 61.53 3kjs s THR 216 Cb -0.03 -2.51 -0.08 0.00 0.01 0.00 0.00 72.50 69.89 3kjs s THR 216 CO 0.18 0.51 1.10 -0.55 -0.69 0.00 0.00 174.62 175.17 3kjs s SER 217 N 0.33 7.26 -1.41 3.53 0.15 0.11 -4.95 113.70 118.72 3kjs s SER 217 Ca -0.07 2.13 -0.11 0.00 0.70 0.00 0.00 55.95 58.61 3kjs s SER 217 Cb -0.15 -2.61 0.07 0.00 -1.71 0.00 0.00 66.02 61.63 3kjs s SER 217 CO 0.04 -0.21 2.23 0.00 1.20 0.00 0.00 173.24 176.51 3kjs n ALA 218 N 2.11 5.92 -0.25 5.45 0.00 -1.26 -4.13 120.51 128.35 3kjs n ALA 218 Ca 0.02 -4.00 0.01 0.00 0.00 0.00 0.00 53.44 49.47 3kjs n ALA 218 Cb 0.46 -3.24 0.02 0.00 0.00 0.00 0.00 19.45 16.68 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 4.49 1.84 0.00 0.00 6.94 -1.26 -4.89 115.26 122.38 3kjs n ASN 219 Ca 0.53 -2.05 0.00 0.00 -0.02 0.00 0.00 54.58 53.04 3kjs n ASN 219 Cb 0.34 -0.06 0.00 0.00 -2.36 0.00 0.00 39.78 37.71 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 -0.56 2.46 0.35 4.83 0.00 -1.26 -4.82 105.19 106.18 3kjs n GLY 220 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 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 2.02 -3.67 1.61 3.02 -1.26 -5.00 115.26 111.98 3kjs n ASN 221 Ca 0.00 -1.59 -0.28 0.00 -0.03 0.00 0.00 54.58 52.68 3kjs n ASN 221 Cb 0.00 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 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 0.31 -3.96 -2.13 3.52 4.71 -1.26 -4.89 120.64 116.94 3kjs n GLU 222 Ca 0.06 0.50 -0.42 0.00 -0.01 0.00 0.00 57.16 57.29 3kjs n GLU 222 Cb 0.26 -5.27 -0.03 0.00 -1.01 0.00 0.00 31.44 25.39 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 -3.11 3.55 0.28 2.62 2.01 -1.26 -4.70 115.64 115.04 3kjs s THR 223 Ca 0.54 0.92 -0.24 0.00 0.31 0.00 0.00 61.69 63.22 3kjs s THR 223 Cb -0.28 -3.59 -0.09 0.00 0.01 0.00 0.00 72.50 68.55 3kjs s THR 223 CO 0.66 -0.01 0.86 -0.54 -0.69 0.00 0.00 174.62 174.90 3kjs s LYS 224 N 2.69 4.47 0.21 4.92 1.02 -1.26 0.07 119.74 131.85 3kjs s LYS 224 Ca 0.67 1.16 -0.14 0.00 0.02 0.00 0.00 55.97 57.67 3kjs s LYS 224 Cb -0.33 -2.86 0.01 0.00 -0.52 0.00 0.00 37.83 34.13 3kjs s LYS 224 CO 0.28 0.34 0.47 1.52 -0.92 0.00 0.00 175.35 177.04 3kjs s TYR 225 N -1.55 0.13 0.20 3.18 1.13 -0.18 0.20 117.35 120.46 3kjs s TYR 225 Ca 0.47 -0.49 -0.18 0.00 -1.41 0.00 0.00 57.07 55.45 3kjs s TYR 225 Cb -0.18 0.25 0.03 0.00 -1.10 0.00 0.00 41.96 40.96 3kjs s TYR 225 CO 0.23 -0.92 0.54 1.52 -2.51 0.00 0.00 175.55 174.41 3kjs s TYR 226 N -3.94 -0.12 -0.02 -3.49 1.13 -0.56 -1.01 117.35 109.34 3kjs s TYR 226 Ca 0.15 -0.23 0.05 0.00 -1.41 0.00 0.00 57.07 55.63 3kjs s TYR 226 Cb -0.00 0.42 -0.03 0.00 -1.10 0.00 0.00 41.96 41.25 3kjs s TYR 226 CO 0.02 -0.95 -0.17 -0.06 -2.51 0.00 0.00 175.55 171.89 3kjs s PHE 227 N -3.88 2.61 0.02 -3.49 0.08 -1.26 -1.23 117.98 110.83 3kjs s PHE 227 Ca 0.10 -0.22 0.04 0.00 0.12 0.00 0.00 56.93 56.97 3kjs s PHE 227 Cb -0.01 -1.56 -0.02 0.00 -0.57 0.00 0.00 43.02 40.86 3kjs s PHE 227 CO -0.02 0.18 -0.13 -1.21 -0.10 0.00 0.00 175.22 173.94 3kjs s GLU 228 N -0.96 0.93 -0.19 0.44 2.02 0.13 -0.95 118.70 120.12 3kjs s GLU 228 Ca 0.12 -0.64 -0.01 0.00 0.02 0.00 0.00 54.97 54.47 3kjs s GLU 228 Cb -0.10 -0.91 0.01 0.00 0.10 0.00 0.00 34.13 33.22 3kjs s GLU 228 CO 0.02 0.23 -0.14 0.21 0.02 0.00 0.00 175.26 175.61 3kjs s LYS 229 N -0.84 3.17 0.03 1.61 2.20 -0.64 -0.62 119.74 124.65 3kjs s LYS 229 Ca 0.02 -0.74 0.04 0.00 -0.36 0.00 0.00 55.97 54.93 3kjs s LYS 229 Cb -0.07 -2.73 -0.04 0.00 -1.51 0.00 0.00 37.83 33.49 3kjs s LYS 229 CO 0.01 -0.16 -0.05 -0.51 -0.36 0.00 0.00 175.35 174.28 3kjs s LEU 230 N 1.25 3.25 0.04 5.43 1.43 0.70 -0.66 118.68 130.12 3kjs s LEU 230 Ca 0.03 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 3kjs s LEU 230 Cb -0.14 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 3kjs s LEU 230 CO -0.07 0.25 -0.09 0.27 0.23 0.00 0.00 176.35 176.94 3kjs s ILE 231 N -1.09 0.66 -0.11 -0.59 -4.36 0.14 -1.04 121.20 114.81 3kjs s ILE 231 Ca 0.20 -0.92 -0.30 0.00 -0.26 0.00 0.00 60.65 59.37 3kjs s ILE 231 Cb -0.11 -0.66 -0.02 0.00 1.25 0.00 0.00 42.46 42.92 3kjs s ILE 231 CO 0.11 -0.21 1.08 -2.16 0.24 0.00 0.00 174.94 173.99 3kjs s PRO 232 N -1.24 4.38 -0.19 0.37 0.04 -1.26 -0.55 135.00 136.55 3kjs s PRO 232 Ca -0.05 1.48 -0.40 0.00 0.04 0.00 0.00 61.00 62.07 3kjs s PRO 232 Cb -0.08 -3.56 -0.17 0.00 0.04 0.00 0.00 34.50 30.73 3kjs s PRO 232 CO 0.01 -0.40 1.56 -2.13 0.04 0.00 0.00 177.00 176.08 3kjs n ARG 233 N 5.26 0.89 -3.21 4.56 0.63 0.07 -4.47 116.66 120.38 3kjs n ARG 233 Ca 0.10 0.32 -0.45 0.00 -0.92 0.00 0.00 57.85 56.90 3kjs n ARG 233 Cb 0.48 -1.96 -0.01 0.00 0.45 0.00 0.00 32.46 31.42 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 2.36 7.07 0.37 6.15 3.84 -1.26 -4.79 114.94 128.68 3kjs s ASN 234 Ca 0.95 -3.10 0.09 0.00 0.21 0.00 0.00 52.86 51.01 3kjs s ASN 234 Cb -1.12 -2.27 0.84 0.00 -0.55 0.00 0.00 41.25 38.15 3kjs s ASN 234 CO 0.62 -0.53 1.92 0.03 -2.79 0.00 0.00 177.10 176.35 3kjs h ARG 235 N 7.25 0.64 -0.23 0.43 2.47 -1.96 -2.35 114.38 120.64 3kjs h ARG 235 Ca 0.19 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.85 3kjs h ARG 235 Cb 0.93 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 29.09 3kjs h ARG 235 CO 1.01 0.42 0.07 0.93 0.56 0.00 0.00 179.97 182.96 3kjs h GLU 236 N 0.66 0.35 0.00 0.04 5.08 -1.90 -1.66 114.58 117.15 3kjs h GLU 236 Ca 0.38 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.59 3kjs h GLU 236 Cb 0.56 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3kjs h GLU 236 CO -0.15 0.44 -0.33 1.49 -1.00 0.00 0.00 179.01 179.46 3kjs h GLU 237 N 0.19 0.00 0.00 2.33 4.81 -1.89 -2.67 114.58 117.36 3kjs h GLU 237 Ca 0.07 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 3kjs h GLU 237 Cb 0.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3kjs h GLU 237 CO -0.00 0.33 -0.28 0.93 -0.73 0.00 0.00 179.01 179.26 3kjs h GLU 238 N 0.00 0.00 -0.25 1.92 5.08 -0.92 -1.96 114.58 118.46 3kjs h GLU 238 Ca -0.00 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3kjs h GLU 238 Cb 0.68 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 3kjs h GLU 238 CO 0.04 0.28 0.07 1.96 -1.00 0.00 0.00 179.01 180.37 3kjs h GLN 239 N 0.00 0.17 -0.20 2.33 4.20 -0.95 -0.46 115.11 120.20 3kjs h GLN 239 Ca -0.00 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 3kjs h GLN 239 Cb 0.68 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 3kjs h GLN 239 CO 0.04 0.11 0.12 -0.92 -0.67 0.00 0.00 178.83 177.51 3kjs h TYR 240 N 0.18 0.27 -0.60 2.96 3.20 -1.50 -2.12 116.97 119.36 3kjs h TYR 240 Ca 0.11 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.88 3kjs h TYR 240 Cb 0.09 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 3kjs h TYR 240 CO -0.14 0.21 -0.00 -0.07 -1.64 0.00 0.00 178.16 176.52 3kjs h LEU 241 N 0.25 1.03 -1.22 2.82 3.38 -1.22 -1.93 115.31 118.43 3kjs h LEU 241 Ca 0.07 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.74 3kjs h LEU 241 Cb 0.02 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 3kjs h LEU 241 CO -0.01 1.09 0.53 0.28 0.09 0.00 0.00 178.44 180.42 3kjs h SER 242 N 0.95 0.91 -0.22 -0.43 0.02 -1.00 -1.17 113.55 112.61 3kjs h SER 242 Ca 0.17 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 3kjs h SER 242 Cb 0.56 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 3kjs h SER 242 CO 0.03 0.66 -0.02 0.25 -1.14 0.00 0.00 176.83 176.61 3kjs h LEU 243 N 1.08 0.39 -0.38 5.07 5.85 -0.99 0.12 115.31 126.44 3kjs h LEU 243 Ca 0.29 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.71 3kjs h LEU 243 Cb -0.12 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 3kjs h LEU 243 CO -0.06 0.62 0.21 0.58 -0.34 0.00 0.00 178.44 179.45 3kjs h VAL 244 N 0.15 1.01 -0.94 1.05 2.07 -1.13 -1.09 116.25 117.37 3kjs h VAL 244 Ca 0.06 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.44 3kjs h VAL 244 Cb 0.43 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 3kjs h VAL 244 CO 0.01 0.08 0.59 -0.78 0.02 0.00 0.00 177.57 177.50 3kjs h ASP 245 N 0.42 1.10 -0.67 0.57 3.58 -1.10 -1.22 116.42 119.11 3kjs h ASP 245 Ca 0.16 -0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.51 3kjs h ASP 245 Cb 0.04 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 40.79 3kjs h ASP 245 CO -0.09 0.82 0.21 -0.09 -2.88 0.00 0.00 179.24 177.20 3kjs h ARG 246 N 1.28 1.04 -0.06 0.28 2.43 -0.55 -0.53 114.38 118.27 3kjs h ARG 246 Ca 0.34 -0.22 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3kjs h ARG 246 Cb -0.10 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 29.29 3kjs h ARG 246 CO -0.07 0.90 0.03 0.82 -1.51 0.00 0.00 179.97 180.15 3kjs h ILE 247 N 0.97 1.08 -0.35 1.20 2.04 -0.72 0.18 117.51 121.91 3kjs h ILE 247 Ca 0.21 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.86 3kjs h ILE 247 Cb 0.30 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 3kjs h ILE 247 CO -0.01 0.07 0.20 0.40 0.00 0.00 0.00 178.15 178.81 3kjs h ILE 248 N 0.01 1.03 -0.34 -0.67 2.04 -1.17 0.19 117.51 118.61 3kjs h ILE 248 Ca 0.02 -0.14 -0.09 0.00 1.00 0.00 0.00 64.86 65.65 3kjs h ILE 248 Cb 0.08 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3kjs h ILE 248 CO -0.00 0.07 -0.16 0.03 0.00 0.00 0.00 178.15 178.09 3kjs h ARG 249 N 0.41 0.70 0.00 2.37 3.08 -0.91 -3.40 114.38 116.63 3kjs h ARG 249 Ca 0.14 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.88 3kjs h ARG 249 Cb 0.01 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3kjs h ARG 249 CO -0.07 0.91 -0.17 -0.85 -1.07 0.00 0.00 179.97 178.72 3kjs n GLU 250 N -4.34 0.03 -2.24 0.04 0.28 0.60 -5.09 120.64 109.91 3kjs n GLU 250 Ca -0.03 -0.68 -0.34 0.00 -0.16 0.00 0.00 57.16 55.95 3kjs n GLU 250 Cb 0.39 -0.51 -0.00 0.00 1.43 0.00 0.00 31.44 32.75 3kjs n GLU 250 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 3kjs s GLY 251 N -0.36 2.49 0.27 -1.84 0.00 0.65 -4.97 107.32 103.57 3kjs s GLY 251 Ca 0.00 0.69 -0.28 0.00 0.00 0.00 0.00 44.72 45.13 3kjs s GLY 251 CO 0.00 1.03 0.94 -1.31 0.00 0.00 0.00 173.10 173.76 3kjs s ASN 252 N -2.04 7.51 -0.01 1.64 0.01 0.15 -4.49 114.94 117.71 3kjs s ASN 252 Ca 0.70 1.89 -0.30 0.00 -0.71 0.00 0.00 52.86 54.43 3kjs s ASN 252 Cb -0.21 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 38.82 3kjs s ASN 252 CO 0.28 0.06 1.24 -0.69 -1.51 0.00 0.00 177.10 176.48 3kjs s VAL 253 N -1.37 4.08 0.15 1.60 1.01 -1.26 -0.09 120.40 124.52 3kjs s VAL 253 Ca 0.45 1.45 0.01 0.00 0.00 0.00 0.00 61.98 63.89 3kjs s VAL 253 Cb -0.23 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 3kjs s VAL 253 CO 0.28 0.03 -0.00 -0.54 0.00 0.00 0.00 175.10 174.87 3kjs s LYS 254 N 1.91 1.03 -0.05 2.72 1.02 0.45 -4.97 119.74 121.85 3kjs s LYS 254 Ca 0.58 -1.48 0.03 0.00 0.02 0.00 0.00 55.97 55.12 3kjs s LYS 254 Cb -0.27 -0.17 0.00 0.00 -0.52 0.00 0.00 37.83 36.86 3kjs s LYS 254 CO 0.25 -0.13 -0.15 -1.01 -0.92 0.00 0.00 175.35 173.39 3kjs s HIS 255 N -3.71 1.55 0.26 3.18 3.76 -1.26 0.15 115.29 119.22 3kjs s HIS 255 Ca 0.22 -0.48 -0.04 0.00 -0.15 0.00 0.00 55.06 54.61 3kjs s HIS 255 Cb 0.06 -1.07 0.06 0.00 1.11 0.00 0.00 32.58 32.74 3kjs s HIS 255 CO 0.02 -0.19 0.36 -0.40 -0.85 0.00 0.00 174.74 173.68 3kjs n ASP 256 N 3.34 0.04 -0.14 1.40 5.68 -0.99 -4.85 116.55 121.03 3kjs n ASP 256 Ca -0.19 -1.14 0.01 0.00 -0.50 0.00 0.00 54.79 52.97 3kjs n ASP 256 Cb 0.53 -0.27 0.30 0.00 -1.14 0.00 0.00 41.12 40.53 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 0.84 0.00 0.11 3.08 -2.01 -1.02 114.38 115.37 3kjs h ARG 257 Ca -0.12 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.87 3kjs h ARG 257 Cb 0.32 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3kjs h ARG 257 CO 0.08 0.57 0.00 1.79 -1.07 0.00 0.00 179.97 181.35 3kjs h THR 258 N 0.86 0.00 0.00 2.04 1.35 -2.05 -3.47 112.91 111.64 3kjs h THR 258 Ca 0.23 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 3kjs h THR 258 Cb -0.07 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 3kjs h THR 258 CO -0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.83 3kjs n GLY 259 N 0.69 0.89 3.74 5.82 0.00 -0.39 -5.08 105.19 110.87 3kjs n GLY 259 Ca 0.03 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.00 3.90 0.40 1.61 1.01 -1.26 -4.78 120.40 119.28 3kjs s VAL 260 Ca 0.00 1.76 -0.25 0.00 0.00 0.00 0.00 61.98 63.49 3kjs s VAL 260 Cb 0.00 -4.12 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 3kjs s VAL 260 CO 0.00 0.35 1.16 -0.83 0.00 0.00 0.00 175.10 175.79 3kjs s GLY 261 N -0.53 2.86 -0.00 4.51 0.00 -1.26 -2.35 107.32 110.55 3kjs s GLY 261 Ca 0.46 0.95 -0.05 0.00 0.00 0.00 0.00 44.72 46.08 3kjs s GLY 261 CO 0.35 1.47 0.10 -1.59 0.00 0.00 0.00 173.10 173.43 3kjs s THR 262 N -1.42 0.07 -0.14 0.90 2.01 0.12 -1.86 115.64 115.32 3kjs s THR 262 Ca 0.57 -0.62 -0.02 0.00 0.31 0.00 0.00 61.69 61.93 3kjs s THR 262 Cb -0.30 -0.36 -0.03 0.00 0.01 0.00 0.00 72.50 71.83 3kjs s THR 262 CO 0.38 -0.34 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.16 3kjs s LEU 263 N -1.15 3.16 -0.01 4.42 1.43 0.12 -0.42 118.68 126.23 3kjs s LEU 263 Ca -0.12 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 3kjs s LEU 263 Cb -0.07 -1.74 0.01 0.00 0.03 0.00 0.00 46.19 44.42 3kjs s LEU 263 CO 0.01 0.20 -0.01 -0.55 0.23 0.00 0.00 176.35 176.23 3kjs s SER 264 N 0.18 0.27 0.28 2.29 0.15 0.87 -0.72 113.70 117.01 3kjs s SER 264 Ca -0.03 -0.03 0.10 0.00 0.70 0.00 0.00 55.95 56.70 3kjs s SER 264 Cb -0.14 -0.08 -0.05 0.00 -1.71 0.00 0.00 66.02 64.03 3kjs s SER 264 CO 0.03 -0.03 -0.16 0.27 1.20 0.00 0.00 173.24 174.55 3kjs s ILE 265 N 0.37 2.24 -0.15 6.45 -5.25 -0.31 0.31 121.20 124.87 3kjs s ILE 265 Ca -0.03 -2.32 0.01 0.00 -0.99 0.00 0.00 60.65 57.32 3kjs s ILE 265 Cb -0.06 -2.32 0.00 0.00 2.95 0.00 0.00 42.46 43.04 3kjs s ILE 265 CO -0.01 -0.40 -0.19 0.12 -1.79 0.00 0.00 174.94 172.67 3kjs s PHE 266 N -2.65 2.72 0.00 1.37 5.36 -1.26 -1.01 117.98 122.51 3kjs s PHE 266 Ca 0.29 -1.20 0.00 0.00 -0.96 0.00 0.00 56.93 55.06 3kjs s PHE 266 Cb -0.02 -1.85 0.00 0.00 -0.34 0.00 0.00 43.02 40.81 3kjs s PHE 266 CO 0.13 -0.55 0.00 0.41 -1.46 0.00 0.00 175.22 173.76 3kjs n GLY 267 N 4.06 -2.42 3.26 13.12 0.00 -0.31 -5.02 105.19 117.88 3kjs n GLY 267 Ca -0.20 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 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 0.96 -0.17 4.61 0.00 -0.59 -4.98 121.76 121.59 3kjs s ALA 268 Ca 0.00 -1.58 -0.12 0.00 0.00 0.00 0.00 51.96 50.26 3kjs s ALA 268 Cb 0.00 1.34 0.05 0.00 0.00 0.00 0.00 23.12 24.51 3kjs s ALA 268 CO 0.00 -0.63 0.43 -1.14 0.00 0.00 0.00 175.76 174.42 3kjs s GLN 269 N -4.14 0.45 0.11 0.00 0.74 -1.26 -1.17 119.66 114.40 3kjs s GLN 269 Ca 0.36 0.71 0.06 0.00 0.05 0.00 0.00 55.36 56.55 3kjs s GLN 269 Cb 0.06 0.10 -0.04 0.00 1.10 0.00 0.00 33.01 34.23 3kjs s GLN 269 CO 0.11 -0.11 -0.15 -1.64 -0.55 0.00 0.00 175.29 172.96 3kjs s MET 270 N 0.88 1.00 -0.02 1.67 -1.94 -0.13 -4.97 119.30 115.80 3kjs s MET 270 Ca -0.05 -1.19 0.06 0.00 -1.71 0.00 0.00 55.69 52.80 3kjs s MET 270 Cb -0.06 -0.93 -0.02 0.00 2.01 0.00 0.00 34.83 35.83 3kjs s MET 270 CO -0.07 0.19 -0.21 1.03 -0.01 0.00 0.00 175.02 175.95 3kjs s ARG 271 N -2.48 1.73 -0.04 2.03 0.52 -1.26 -0.33 118.95 119.12 3kjs s ARG 271 Ca 0.07 -0.74 0.01 0.00 -0.52 0.00 0.00 55.73 54.54 3kjs s ARG 271 Cb -0.06 -1.65 0.02 0.00 0.52 0.00 0.00 34.95 33.78 3kjs s ARG 271 CO 0.03 0.44 -0.03 -0.06 0.02 0.00 0.00 175.30 175.70 3kjs s PHE 272 N -0.45 0.58 0.13 -0.53 0.08 0.65 -4.83 117.98 113.61 3kjs s PHE 272 Ca 0.07 -0.12 -0.29 0.00 0.12 0.00 0.00 56.93 56.70 3kjs s PHE 272 Cb -0.08 -0.57 -0.06 0.00 -0.57 0.00 0.00 43.02 41.73 3kjs s PHE 272 CO -0.00 -0.17 0.94 0.45 -0.10 0.00 0.00 175.22 176.33 3kjs s SER 273 N 0.99 7.50 -0.01 1.36 0.15 -1.26 0.31 113.70 122.74 3kjs s SER 273 Ca -0.10 1.79 0.07 0.00 0.70 0.00 0.00 55.95 58.40 3kjs s SER 273 Cb -0.14 -2.58 0.18 0.00 -1.71 0.00 0.00 66.02 61.77 3kjs s SER 273 CO -0.01 -0.02 1.15 0.18 1.20 0.00 0.00 173.24 175.75 3kjs n LEU 274 N 2.57 2.56 -4.77 3.45 4.77 0.20 -4.69 117.00 121.09 3kjs n LEU 274 Ca 0.01 -2.04 -0.39 0.00 -0.03 0.00 0.00 56.01 53.56 3kjs n LEU 274 Cb 0.49 -0.15 -0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3kjs n LEU 274 CO 0.50 0.63 0.96 -0.13 -1.33 0.00 0.00 177.39 178.03 3kjs s ARG 275 N -1.07 3.88 -1.31 3.23 0.52 -1.18 -3.83 118.95 119.18 3kjs s ARG 275 Ca 0.14 2.14 -0.02 0.00 -0.52 0.00 0.00 55.73 57.47 3kjs s ARG 275 Cb 0.08 -2.69 -0.00 0.00 0.52 0.00 0.00 34.95 32.86 3kjs s ARG 275 CO 0.09 -0.56 0.63 0.09 0.02 0.00 0.00 175.30 175.57 3kjs n ASN 276 N -0.02 -1.39 0.00 0.23 5.03 -1.26 -2.13 115.26 115.72 3kjs n ASN 276 Ca 0.04 -0.89 0.00 0.00 0.87 0.00 0.00 54.58 54.60 3kjs n ASN 276 Cb 0.44 -3.73 0.00 0.00 -1.02 0.00 0.00 39.78 35.47 3kjs n ASN 276 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3kjs n ASN 277 N -3.01 -2.01 -4.75 6.41 4.13 -1.25 -4.99 115.26 109.80 3kjs n ASN 277 Ca -0.28 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 55.57 3kjs n ASN 277 Cb 0.67 -1.31 -0.02 0.00 -1.54 0.00 0.00 39.78 37.58 3kjs n ASN 277 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3kjs s ARG 278 N -0.58 4.26 -0.21 3.52 0.52 -0.91 -0.69 118.95 124.88 3kjs s ARG 278 Ca 0.00 2.31 0.01 0.00 -0.52 0.00 0.00 55.73 57.53 3kjs s ARG 278 Cb 0.00 -3.11 0.05 0.00 0.52 0.00 0.00 34.95 32.41 3kjs s ARG 278 CO 0.00 -0.42 -0.08 -1.17 0.02 0.00 0.00 175.30 173.64 3kjs s LEU 279 N -0.38 2.31 -1.31 2.53 2.96 -0.29 -4.52 118.68 119.97 3kjs s LEU 279 Ca 0.59 -0.96 -0.10 0.00 -0.22 0.00 0.00 54.13 53.44 3kjs s LEU 279 Cb -0.42 -1.18 -0.06 0.00 0.50 0.00 0.00 46.19 45.02 3kjs s LEU 279 CO 0.43 -0.18 2.51 -0.81 -1.32 0.00 0.00 176.35 176.98 3kjs n PRO 280 N 4.70 2.90 -2.89 0.98 -0.04 -1.26 -3.54 135.00 135.84 3kjs n PRO 280 Ca -0.13 -2.01 -0.42 0.00 -0.04 0.00 0.00 63.50 60.90 3kjs n PRO 280 Cb 0.46 -2.78 -0.04 0.00 -0.04 0.00 0.00 33.50 31.09 3kjs n PRO 280 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kjs s LEU 281 N 0.54 4.07 0.50 1.53 1.43 -1.26 -4.44 118.68 121.05 3kjs s LEU 281 Ca 0.56 0.62 -0.23 0.00 -1.03 0.00 0.00 54.13 54.05 3kjs s LEU 281 Cb 0.15 -3.14 -0.07 0.00 0.03 0.00 0.00 46.19 43.16 3kjs s LEU 281 CO -0.04 -0.71 1.30 0.18 0.23 0.00 0.00 176.35 177.32 3kjs n LEU 282 N 6.41 4.85 -0.05 1.79 4.77 -1.26 -4.65 117.00 128.86 3kjs n LEU 282 Ca 0.05 1.02 -0.01 0.00 -0.03 0.00 0.00 56.01 57.04 3kjs n LEU 282 Cb 0.48 -1.54 -0.15 0.00 -2.33 0.00 0.00 43.42 39.88 3kjs n LEU 282 CO 0.53 -0.67 -0.94 0.35 -1.33 0.00 0.00 177.39 175.34 3kjs n THR 283 N -0.75 0.71 0.40 -5.08 -2.24 -1.26 -4.37 114.28 101.69 3kjs n THR 283 Ca 0.09 -0.63 0.13 0.00 -2.27 0.00 0.00 64.05 61.37 3kjs n THR 283 Cb 0.43 -0.27 0.50 0.00 -2.10 0.00 0.00 70.33 68.88 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 -2.67 4.28 1.35 -1.92 0.24 112.91 114.19 3kjs h THR 284 Ca -0.28 -0.41 -0.12 0.00 -0.55 0.00 0.00 66.41 65.05 3kjs h THR 284 Cb 1.59 1.28 -0.27 0.00 -1.73 0.00 0.00 68.15 69.02 3kjs h THR 284 CO 0.02 0.00 -0.31 -0.75 -0.25 0.00 0.00 175.52 174.22 3kjs s LYS 285 N -3.35 0.38 0.14 4.72 2.20 -1.26 -4.69 119.74 117.87 3kjs s LYS 285 Ca 0.05 0.78 -0.32 0.00 -0.36 0.00 0.00 55.97 56.12 3kjs s LYS 285 Cb 0.09 -0.02 -0.12 0.00 -1.51 0.00 0.00 37.83 36.28 3kjs s LYS 285 CO 0.49 -0.16 1.77 -2.13 -0.36 0.00 0.00 175.35 174.96 3kjs n ARG 286 N 4.30 2.65 -3.50 4.03 0.63 -1.26 -4.68 116.66 118.84 3kjs n ARG 286 Ca -0.23 0.96 -0.37 0.00 -0.92 0.00 0.00 57.85 57.30 3kjs n ARG 286 Cb 0.55 -2.82 -0.06 0.00 0.45 0.00 0.00 32.46 30.58 3kjs n ARG 286 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3kjs s VAL 287 N 2.15 5.02 -1.23 5.15 1.01 -1.26 -5.01 120.40 126.22 3kjs s VAL 287 Ca 0.80 0.73 -0.20 0.00 0.00 0.00 0.00 61.98 63.31 3kjs s VAL 287 Cb -0.53 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 3kjs s VAL 287 CO 0.37 0.45 1.87 0.33 0.00 0.00 0.00 175.10 178.11 3kjs n PHE 288 N 1.41 3.61 -0.11 5.22 7.35 -1.26 -4.81 117.46 128.86 3kjs n PHE 288 Ca -0.11 -2.21 -0.06 0.00 -0.76 0.00 0.00 57.45 54.31 3kjs n PHE 288 Cb 0.52 -2.57 0.02 0.00 0.35 0.00 0.00 39.48 37.80 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 8.36 0.26 -1.00 -5.13 2.91 -1.99 -1.19 115.95 118.18 3kjs h TRP 289 Ca 0.36 0.02 0.09 0.00 1.13 0.00 0.00 58.89 60.49 3kjs h TRP 289 Cb 0.87 -0.06 -0.07 0.00 -0.51 0.00 0.00 29.16 29.38 3kjs h TRP 289 CO 1.33 0.12 0.64 -0.09 -1.03 0.00 0.00 178.44 179.40 3kjs h ARG 290 N 0.31 1.06 -0.25 2.65 2.43 -1.99 0.14 114.38 118.74 3kjs h ARG 290 Ca 0.16 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 3kjs h ARG 290 Cb 0.12 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 3kjs h ARG 290 CO -0.15 0.70 -0.03 0.78 -1.51 0.00 0.00 179.97 179.75 3kjs h GLY 291 N 1.09 0.50 0.26 2.80 0.00 -1.87 -1.41 103.07 104.44 3kjs h GLY 291 Ca 0.46 -0.39 0.07 0.00 0.00 0.00 0.00 47.33 47.47 3kjs h GLY 291 CO -0.21 0.36 -0.11 -2.08 0.00 0.00 0.00 176.54 174.50 3kjs h VAL 292 N 0.21 0.61 -0.14 4.60 2.07 0.04 -1.21 116.25 122.44 3kjs h VAL 292 Ca 0.07 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 3kjs h VAL 292 Cb 0.48 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3kjs h VAL 292 CO 0.02 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.60 3kjs h GLU 294 N -0.03 1.22 -0.32 0.00 4.39 -1.11 -2.37 114.58 116.36 3kjs h GLU 294 Ca 0.04 -0.13 -0.17 0.00 0.34 0.00 0.00 59.36 59.44 3kjs h GLU 294 Cb 0.38 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3kjs h GLU 294 CO 0.01 0.88 -0.48 1.49 -1.16 0.00 0.00 179.01 179.74 3kjs h GLU 295 N 1.23 0.89 -0.26 2.33 4.81 -1.08 -1.70 114.58 120.80 3kjs h GLU 295 Ca 0.31 -0.53 -0.03 0.00 -0.13 0.00 0.00 59.36 58.99 3kjs h GLU 295 Cb -0.00 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3kjs h GLU 295 CO -0.05 1.17 0.06 1.25 -0.73 0.00 0.00 179.01 180.71 3kjs h LEU 296 N 0.69 0.41 -0.83 1.64 5.85 -1.15 0.36 115.31 122.26 3kjs h LEU 296 Ca 0.03 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.55 3kjs h LEU 296 Cb 1.09 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 3kjs h LEU 296 CO 0.11 0.54 0.53 -0.07 -0.34 0.00 0.00 178.44 179.21 3kjs h LEU 297 N 0.25 0.87 -0.42 2.25 3.38 -1.44 0.27 115.31 120.48 3kjs h LEU 297 Ca 0.08 -0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.08 3kjs h LEU 297 Cb 0.29 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3kjs h LEU 297 CO 0.00 0.59 0.22 -0.25 0.09 0.00 0.00 178.44 179.10 3kjs h TRP 298 N 1.02 0.41 -0.02 1.13 7.01 -0.96 -0.65 115.95 123.90 3kjs h TRP 298 Ca 0.34 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.38 3kjs h TRP 298 Cb 0.04 -0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 26.94 3kjs h TRP 298 CO -0.03 0.22 -0.18 0.74 -2.79 0.00 0.00 178.44 176.41 3kjs h PHE 299 N 0.45 -0.46 -0.43 2.65 0.04 0.68 -2.38 116.94 117.49 3kjs h PHE 299 Ca 0.17 0.02 0.06 0.00 2.80 0.00 0.00 57.97 61.02 3kjs h PHE 299 Cb 0.06 0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 3kjs h PHE 299 CO -0.09 -0.25 0.29 -0.07 -0.60 0.00 0.00 178.31 177.59 3kjs h LEU 300 N -0.28 0.30 0.00 1.54 3.38 -0.03 -0.22 115.31 120.01 3kjs h LEU 300 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3kjs h LEU 300 Cb 0.36 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3kjs h LEU 300 CO -0.18 0.20 0.00 0.54 0.09 0.00 0.00 178.44 179.09 3kjs n ARG 301 N -4.47 0.68 -1.95 1.13 1.74 -0.29 -4.89 116.66 108.60 3kjs n ARG 301 Ca 0.06 0.01 -0.10 0.00 -0.77 0.00 0.00 57.85 57.05 3kjs n ARG 301 Cb 0.26 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.18 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 0.88 0.28 3.81 -0.13 0.00 -0.09 -5.00 105.19 104.94 3kjs n GLY 302 Ca 0.18 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 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 -4.07 4.03 0.00 1.61 2.56 -0.91 -3.92 118.70 118.00 3kjs s GLU 303 Ca 0.00 1.24 0.00 0.00 0.00 0.00 0.00 54.97 56.21 3kjs s GLU 303 Cb 0.00 -2.15 0.00 0.00 2.00 0.00 0.00 34.13 33.98 3kjs s GLU 303 CO 0.00 -0.22 0.01 0.25 -0.56 0.00 0.00 175.26 174.75 3kjs n THR 304 N -0.78 0.00 -3.02 -1.70 -2.24 -1.26 -4.32 114.28 100.96 3kjs n THR 304 Ca 0.08 -0.15 -0.43 0.00 -2.27 0.00 0.00 64.05 61.28 3kjs n THR 304 Cb 0.53 1.07 -0.06 0.00 -2.10 0.00 0.00 70.33 69.77 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 -0.27 3.03 -0.31 4.78 5.04 -1.26 -2.16 117.35 126.20 3kjs s TYR 305 Ca 0.00 0.12 0.27 0.00 -2.44 0.00 0.00 57.07 55.02 3kjs s TYR 305 Cb 0.00 -3.51 1.03 0.00 0.35 0.00 0.00 41.96 39.83 3kjs s TYR 305 CO 0.00 -0.91 1.81 0.00 -1.34 0.00 0.00 175.55 175.10 3kjs h ALA 306 N 8.89 1.00 0.00 3.97 0.00 -1.29 -2.81 119.26 129.02 3kjs h ALA 306 Ca -0.25 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3kjs h ALA 306 Cb 1.09 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3kjs h ALA 306 CO 0.93 0.00 -0.09 -0.22 0.00 0.00 0.00 179.25 179.87 3kjs h LYS 307 N 0.00 0.00 -0.11 0.00 3.64 -1.91 -1.10 116.57 117.09 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 0.53 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 3kjs h LYS 307 CO 0.00 0.09 -0.12 0.87 -2.27 0.00 0.00 179.45 178.02 3kjs h LYS 308 N 0.00 0.16 0.13 1.90 1.57 -1.89 0.68 116.57 119.13 3kjs h LYS 308 Ca -0.00 -0.03 -0.22 0.00 -1.87 0.00 0.00 60.65 58.52 3kjs h LYS 308 Cb 0.22 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 32.53 3kjs h LYS 308 CO 0.01 0.30 -0.95 -0.07 -0.57 0.00 0.00 179.45 178.17 3kjs h LEU 309 N 0.16 0.61 -0.50 2.94 3.38 -1.43 -3.36 115.31 117.11 3kjs h LEU 309 Ca 0.03 -0.89 0.08 0.00 0.09 0.00 0.00 57.88 57.19 3kjs h LEU 309 Cb 0.32 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 3kjs h LEU 309 CO 0.02 1.45 0.11 0.28 0.09 0.00 0.00 178.44 180.39 3kjs h SER 310 N -0.14 0.03 0.00 -0.43 0.02 -0.88 -1.08 113.55 111.08 3kjs h SER 310 Ca -0.16 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 3kjs h SER 310 Cb 1.71 0.11 0.00 0.00 0.14 0.00 0.00 62.40 64.36 3kjs h SER 310 CO 0.18 0.04 0.03 0.47 -1.14 0.00 0.00 176.83 176.41 3kjs n ASP 311 N -5.09 0.52 -0.91 3.07 8.00 0.19 -1.25 116.55 121.08 3kjs n ASP 311 Ca 0.06 0.73 0.07 0.00 0.71 0.00 0.00 54.79 56.36 3kjs n ASP 311 Cb 0.24 -0.79 0.23 0.00 -0.02 0.00 0.00 41.12 40.78 3kjs n ASP 311 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3kjs n LYS 312 N -2.21 3.05 -1.11 -1.24 5.02 -0.50 -4.95 118.16 116.21 3kjs n LYS 312 Ca -0.01 -2.47 -0.04 0.00 -2.02 0.00 0.00 58.31 53.77 3kjs n LYS 312 Cb 0.06 -1.57 -0.02 0.00 -0.02 0.00 0.00 35.03 33.48 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 0.33 0.66 3.30 0.72 0.00 -0.38 -5.00 105.19 104.83 3kjs n GLY 313 Ca 0.18 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.00 4.72 -0.69 1.61 1.01 -0.65 -4.95 120.40 119.44 3kjs s VAL 314 Ca 0.00 -1.38 0.16 0.00 0.00 0.00 0.00 61.98 60.76 3kjs s VAL 314 Cb 0.00 -3.93 0.64 0.00 0.00 0.00 0.00 36.38 33.10 3kjs s VAL 314 CO 0.00 -0.64 1.56 1.41 0.00 0.00 0.00 175.10 177.42 3kjs n HIS 315 N 5.06 1.34 0.29 5.22 8.25 -1.26 -2.81 115.22 131.32 3kjs n HIS 315 Ca -0.11 -0.69 0.18 0.00 -0.26 0.00 0.00 57.72 56.84 3kjs n HIS 315 Cb 0.42 -0.29 0.86 0.00 1.12 0.00 0.00 29.99 32.10 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 3.24 0.15 -0.02 1.59 3.07 -1.95 -2.50 117.51 121.08 3kjs h ILE 316 Ca 0.00 -0.38 0.00 0.00 1.55 0.00 0.00 64.86 66.03 3kjs h ILE 316 Cb 1.47 1.32 0.00 0.00 -0.27 0.00 0.00 36.82 39.34 3kjs h ILE 316 CO 0.25 0.04 -0.05 0.79 -1.05 0.00 0.00 178.15 178.12 3kjs n TRP 317 N -3.22 0.00 -0.07 0.16 7.02 -1.26 -4.67 117.44 115.39 3kjs n TRP 317 Ca -0.01 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.40 3kjs n TRP 317 Cb 0.22 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.10 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 3.37 -0.16 0.81 -0.99 5.19 -1.78 -1.30 116.42 121.57 3kjs h ASP 318 Ca 0.00 0.07 -0.06 0.00 -0.62 0.00 0.00 57.03 56.42 3kjs h ASP 318 Cb 0.74 0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.38 3kjs h ASP 318 CO 0.00 -0.04 -0.27 0.44 -3.12 0.00 0.00 179.24 176.24 3kjs h ASP 319 N 0.06 0.00 -0.08 6.45 3.32 -1.83 -2.42 116.42 121.92 3kjs h ASP 319 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3kjs h ASP 319 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3kjs h ASP 319 CO -0.25 0.27 0.00 0.59 -1.72 0.00 0.00 179.24 178.13 3kjs n ASN 320 N -3.49 2.02 0.00 6.45 3.02 -0.89 -4.14 115.26 118.23 3kjs n ASN 320 Ca -0.00 -1.69 0.00 0.00 -0.03 0.00 0.00 54.58 52.85 3kjs n ASN 320 Cb 0.44 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 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 1.23 -0.69 3.76 7.41 0.00 -0.54 -4.68 105.19 111.69 3kjs n GLY 321 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.16 5.08 0.23 1.61 1.04 -0.95 0.08 113.70 120.63 3kjs s SER 322 Ca 0.00 2.07 -0.08 0.00 0.48 0.00 0.00 55.95 58.42 3kjs s SER 322 Cb 0.00 -2.56 0.37 0.00 0.10 0.00 0.00 66.02 63.93 3kjs s SER 322 CO 0.00 -1.65 1.67 -0.09 0.98 0.00 0.00 173.24 174.15 3kjs h ARG 323 N 0.15 0.17 -0.67 4.02 9.65 -1.95 -1.61 114.38 124.14 3kjs h ARG 323 Ca -0.47 -0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 58.39 3kjs h ARG 323 Cb 1.25 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.76 3kjs h ARG 323 CO 0.54 0.11 0.41 0.00 2.80 0.00 0.00 179.97 183.83 3kjs h ALA 324 N 1.59 0.85 -0.26 2.80 0.00 -1.96 -1.78 119.26 120.50 3kjs h ALA 324 Ca 0.36 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 55.05 3kjs h ALA 324 Cb 0.61 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kjs h ALA 324 CO -0.53 0.32 -0.44 0.35 0.00 0.00 0.00 179.25 178.95 3kjs h PHE 325 N 0.91 0.95 -0.53 0.00 3.57 -1.65 -1.67 116.94 118.52 3kjs h PHE 325 Ca 0.24 -0.33 -0.03 0.00 3.53 0.00 0.00 57.97 61.38 3kjs h PHE 325 Cb -0.04 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 3kjs h PHE 325 CO -0.02 1.12 0.21 -0.07 -2.23 0.00 0.00 178.31 177.33 3kjs h LEU 326 N 0.51 0.72 -1.29 0.59 3.38 -1.27 -1.70 115.31 116.25 3kjs h LEU 326 Ca 0.02 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.86 3kjs h LEU 326 Cb 1.04 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 3kjs h LEU 326 CO 0.10 0.69 0.50 0.44 0.09 0.00 0.00 178.44 180.26 3kjs h ASP 327 N 0.71 0.79 0.77 -0.43 3.32 -1.32 0.17 116.42 120.43 3kjs h ASP 327 Ca 0.18 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3kjs h ASP 327 Cb 0.19 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3kjs h ASP 327 CO -0.02 0.54 0.00 -1.54 -1.72 0.00 0.00 179.24 176.50 3kjs n SER 328 N -4.46 0.59 -0.79 6.45 3.41 -0.63 -1.53 113.62 116.66 3kjs n SER 328 Ca 0.10 0.63 0.08 0.00 -0.26 0.00 0.00 58.87 59.42 3kjs n SER 328 Cb 0.13 -0.76 0.15 0.00 -0.26 0.00 0.00 64.21 63.47 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 -2.14 2.11 -0.90 4.33 5.12 -0.74 -4.96 116.66 119.48 3kjs n ARG 329 Ca 0.03 -1.92 0.00 0.00 -1.93 0.00 0.00 57.85 54.03 3kjs n ARG 329 Cb 0.24 -1.35 0.00 0.00 -1.16 0.00 0.00 32.46 30.19 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 0.93 0.52 2.62 -0.13 0.00 -0.58 -4.96 105.19 103.60 3kjs n GLY 330 Ca 0.13 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 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 7.51 0.23 0.99 4.77 0.52 -4.75 117.00 126.27 3kjs n LEU 331 Ca 0.00 -5.14 0.13 0.00 -0.03 0.00 0.00 56.01 50.97 3kjs n LEU 331 Cb 0.00 -1.27 0.35 0.00 -2.33 0.00 0.00 43.42 40.17 3kjs n LEU 331 CO 0.00 1.98 0.84 0.71 -1.33 0.00 0.00 177.39 179.59 3kjs h THR 332 N 2.56 0.13 0.00 -5.08 1.35 -1.88 -3.11 112.91 106.88 3kjs h THR 332 Ca 0.56 -0.96 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 3kjs h THR 332 Cb 0.36 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 3kjs h THR 332 CO 1.34 0.06 -0.46 -1.84 -0.25 0.00 0.00 175.52 174.38 3kjs n GLU 333 N -3.14 0.08 -2.45 4.72 0.00 -1.26 -4.87 120.64 113.72 3kjs n GLU 333 Ca 0.02 0.03 -0.41 0.00 0.00 0.00 0.00 57.16 56.79 3kjs n GLU 333 Cb 0.47 -1.55 -0.03 0.00 0.00 0.00 0.00 31.44 30.32 3kjs n GLU 333 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 3kjs s TYR 334 N -3.04 3.49 0.61 -1.84 2.02 -1.17 -5.03 117.35 112.39 3kjs s TYR 334 Ca 0.10 1.44 -0.19 0.00 -0.37 0.00 0.00 57.07 58.04 3kjs s TYR 334 Cb 0.17 -3.37 -0.03 0.00 -0.40 0.00 0.00 41.96 38.34 3kjs s TYR 334 CO 0.68 -1.00 1.32 -2.00 -1.57 0.00 0.00 175.55 172.98 3kjs s GLU 335 N 0.32 2.77 0.28 -0.62 2.12 -1.26 -4.91 118.70 117.40 3kjs s GLU 335 Ca 0.54 2.14 -0.29 0.00 0.36 0.00 0.00 54.97 57.72 3kjs s GLU 335 Cb -0.30 -2.00 -0.13 0.00 0.26 0.00 0.00 34.13 31.95 3kjs s GLU 335 CO 0.33 -1.45 1.22 -1.91 -0.54 0.00 0.00 175.26 172.91 3kjs n GLU 336 N -1.57 1.76 -0.34 4.30 2.13 -1.26 -1.44 120.64 124.21 3kjs n GLU 336 Ca 0.14 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.58 3kjs n GLU 336 Cb 0.47 -2.15 0.00 0.00 0.27 0.00 0.00 31.44 30.03 3kjs n GLU 336 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 3kjs n MET 337 N 1.15 0.00 -2.57 5.31 2.81 0.11 -4.91 117.12 119.03 3kjs n MET 337 Ca 0.09 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.55 3kjs n MET 337 Cb 0.32 -2.11 -0.02 0.00 -0.71 0.00 0.00 33.22 30.70 3kjs n MET 337 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3kjs s ASP 338 N -3.46 6.71 0.00 7.83 -1.08 -0.52 -0.72 116.67 125.43 3kjs s ASP 338 Ca 0.00 0.78 0.25 0.00 -0.52 0.00 0.00 52.55 53.07 3kjs s ASP 338 Cb 0.00 -2.55 0.57 0.00 -1.46 0.00 0.00 42.92 39.49 3kjs s ASP 338 CO 0.00 -1.13 1.45 0.18 0.52 0.00 0.00 175.17 176.19 3kjs n LEU 339 N 7.60 1.32 0.00 -1.34 4.77 -0.92 -4.82 117.00 123.61 3kjs n LEU 339 Ca 0.13 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.70 3kjs n LEU 339 Cb 0.48 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3kjs n LEU 339 CO 0.67 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 3kjs n GLY 340 N 1.35 -2.18 2.46 -0.72 0.00 -1.26 -0.53 105.19 104.31 3kjs n GLY 340 Ca 0.12 -1.53 -0.17 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.23 1.83 -2.34 1.61 -0.04 -1.26 -4.83 135.00 129.74 3kjs n PRO 341 Ca 0.00 -1.19 -0.31 0.00 -0.04 0.00 0.00 63.50 61.97 3kjs n PRO 341 Cb 0.00 -2.24 -0.02 0.00 -0.04 0.00 0.00 33.50 31.21 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 2.83 4.68 0.00 0.52 -7.23 -1.26 -4.40 120.40 115.54 3kjs s VAL 342 Ca 0.40 0.88 0.00 0.00 -1.81 0.00 0.00 61.98 61.45 3kjs s VAL 342 Cb 0.13 -3.79 0.00 0.00 0.56 0.00 0.00 36.38 33.29 3kjs s VAL 342 CO -0.02 -0.82 0.00 -1.22 -0.31 0.00 0.00 175.10 172.72 3kjs n TYR 343 N -1.98 0.00 -0.32 2.82 4.01 -1.26 -0.80 117.16 119.63 3kjs n TYR 343 Ca 0.05 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.82 3kjs n TYR 343 Cb 0.54 0.00 0.22 0.00 -0.31 0.00 0.00 39.34 39.79 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 1.35 0.52 2.72 0.00 -1.80 -0.67 103.07 105.19 3kjs h GLY 344 Ca 0.00 -0.43 0.10 0.00 0.00 0.00 0.00 47.33 47.00 3kjs h GLY 344 CO 0.00 0.33 0.54 -2.75 0.00 0.00 0.00 176.54 174.66 3kjs h PHE 345 N 1.09 0.98 -0.06 5.60 3.04 -1.09 -0.83 116.94 125.67 3kjs h PHE 345 Ca 0.39 0.03 -0.15 0.00 3.98 0.00 0.00 57.97 62.22 3kjs h PHE 345 Cb 0.14 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.33 3kjs h PHE 345 CO -0.00 0.40 -0.63 1.96 -2.02 0.00 0.00 178.31 178.03 3kjs h GLN 346 N 0.89 0.21 -0.59 1.11 1.08 -1.26 0.52 115.11 117.08 3kjs h GLN 346 Ca 0.44 -0.15 -0.03 0.00 -1.45 0.00 0.00 58.65 57.45 3kjs h GLN 346 Cb 0.39 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.82 3kjs h GLN 346 CO -0.25 0.77 0.24 -1.49 -0.95 0.00 0.00 178.83 177.15 3kjs h TRP 347 N 0.16 0.89 0.00 2.96 4.06 -0.53 -2.60 115.95 120.89 3kjs h TRP 347 Ca -0.01 -0.06 -0.11 0.00 2.06 0.00 0.00 58.89 60.76 3kjs h TRP 347 Cb 1.14 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 29.01 3kjs h TRP 347 CO 0.02 0.71 -2.08 0.54 -3.56 0.00 0.00 178.44 174.07 3kjs n ARG 348 N -4.48 0.67 -2.71 0.49 5.12 -0.50 -0.55 116.66 114.69 3kjs n ARG 348 Ca 0.03 -0.13 -0.06 0.00 -1.93 0.00 0.00 57.85 55.77 3kjs n ARG 348 Cb 0.16 -1.53 0.04 0.00 -1.16 0.00 0.00 32.46 29.96 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 -2.43 1.29 -1.68 -1.55 8.25 0.18 -3.20 115.22 116.09 3kjs n HIS 349 Ca -0.13 -2.53 -0.46 0.00 -0.26 0.00 0.00 57.72 54.35 3kjs n HIS 349 Cb 0.75 -0.31 -0.04 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 -0.30 2.41 -0.20 4.41 -0.00 -0.64 -2.01 117.46 121.13 3kjs n PHE 350 Ca 0.10 -0.04 0.00 0.00 -0.00 0.00 0.00 57.45 57.51 3kjs n PHE 350 Cb 0.81 -2.68 0.00 0.00 -0.00 0.00 0.00 39.48 37.61 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 4.20 1.07 3.77 7.13 0.00 -1.26 -1.09 105.19 119.00 3kjs n GLY 351 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.65 3.11 0.12 4.61 0.00 -0.85 -4.87 121.76 121.22 3kjs s ALA 352 Ca 0.00 1.05 -0.31 0.00 0.00 0.00 0.00 51.96 52.71 3kjs s ALA 352 Cb 0.00 -3.42 -0.07 0.00 0.00 0.00 0.00 23.12 19.63 3kjs s ALA 352 CO 0.00 -0.70 1.28 0.00 0.00 0.00 0.00 175.76 176.34 3kjs s ALA 353 N -1.40 3.48 -0.18 0.00 0.00 -1.26 -5.01 121.76 117.40 3kjs s ALA 353 Ca 0.60 0.99 -0.08 0.00 0.00 0.00 0.00 51.96 53.47 3kjs s ALA 353 Cb -0.33 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.27 3kjs s ALA 353 CO 0.41 -0.50 0.09 -0.47 0.00 0.00 0.00 175.76 175.29 3kjs s TYR 354 N 0.78 3.35 0.00 0.00 5.04 -1.26 -5.00 117.35 120.26 3kjs s TYR 354 Ca 0.60 0.23 0.00 0.00 -2.44 0.00 0.00 57.07 55.45 3kjs s TYR 354 Cb -0.33 -2.08 0.00 0.00 0.35 0.00 0.00 41.96 39.90 3kjs s TYR 354 CO 0.32 0.29 0.00 0.25 -1.34 0.00 0.00 175.55 175.07 3kjs n THR 355 N 3.27 0.00 -4.14 4.34 -2.24 -1.26 -5.06 114.28 109.19 3kjs n THR 355 Ca -0.17 0.12 -0.09 0.00 -2.27 0.00 0.00 64.05 61.64 3kjs n THR 355 Cb 0.53 -0.99 -0.10 0.00 -2.10 0.00 0.00 70.33 67.66 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 -0.51 0.83 0.37 4.78 3.76 -1.26 -4.97 115.29 118.29 3kjs s HIS 356 Ca 0.00 -1.20 0.04 0.00 -0.15 0.00 0.00 55.06 53.76 3kjs s HIS 356 Cb 0.00 -0.48 0.72 0.00 1.11 0.00 0.00 32.58 33.93 3kjs s HIS 356 CO 0.00 -0.48 2.01 1.12 -0.85 0.00 0.00 174.74 176.54 3kjs h HIS 357 N 2.90 0.72 -0.18 1.40 2.07 -1.97 -3.02 115.15 117.08 3kjs h HIS 357 Ca -0.35 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.19 3kjs h HIS 357 Cb 1.19 -0.24 0.00 0.00 2.57 0.00 0.00 27.41 30.93 3kjs h HIS 357 CO 0.45 0.43 0.00 -0.40 -3.07 0.00 0.00 177.93 175.35 3kjs n ASP 358 N -4.46 1.35 -4.84 3.10 5.75 -1.26 -4.89 116.55 111.30 3kjs n ASP 358 Ca 0.07 -1.77 -0.29 0.00 -0.01 0.00 0.00 54.79 52.79 3kjs n ASP 358 Cb 0.10 -0.12 0.10 0.00 -1.03 0.00 0.00 41.12 40.17 3kjs n ASP 358 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kjs s ALA 359 N -1.77 2.32 -0.33 2.12 0.00 -1.14 -5.03 121.76 117.93 3kjs s ALA 359 Ca 0.27 -0.49 -0.17 0.00 0.00 0.00 0.00 51.96 51.57 3kjs s ALA 359 Cb 0.14 -3.02 -0.01 0.00 0.00 0.00 0.00 23.12 20.23 3kjs s ALA 359 CO 0.21 -1.82 0.46 1.21 0.00 0.00 0.00 175.76 175.82 3kjs s ASN 360 N -4.25 6.29 0.00 0.00 2.47 -1.26 -4.92 114.94 113.27 3kjs s ASN 360 Ca 0.62 -0.00 0.13 0.00 0.42 0.00 0.00 52.86 54.02 3kjs s ASN 360 Cb -0.13 -2.25 0.27 0.00 -1.45 0.00 0.00 41.25 37.69 3kjs s ASN 360 CO 0.52 -0.40 1.16 -1.22 -3.72 0.00 0.00 177.10 173.44 3kjs n TYR 361 N 5.60 0.35 -1.68 0.43 4.01 -1.26 -4.99 117.16 119.63 3kjs n TYR 361 Ca -0.06 -0.32 -0.55 0.00 -0.16 0.00 0.00 57.90 56.80 3kjs n TYR 361 Cb 0.49 -0.01 -0.07 0.00 -0.31 0.00 0.00 39.34 39.44 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 0.70 2.33 0.00 7.72 8.00 -1.26 -1.30 116.55 132.74 3kjs n ASP 362 Ca 0.11 1.08 0.00 0.00 0.71 0.00 0.00 54.79 56.69 3kjs n ASP 362 Cb 0.41 -1.18 0.00 0.00 -0.02 0.00 0.00 41.12 40.33 3kjs n ASP 362 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kjs n GLY 363 N 3.84 0.97 3.80 0.44 0.00 -1.26 -5.01 105.19 107.97 3kjs n GLY 363 Ca 0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.07 4.08 1.66 1.61 -0.21 -0.42 -4.94 119.66 121.37 3kjs s GLN 364 Ca 0.00 0.46 0.00 0.00 0.02 0.00 0.00 55.36 55.84 3kjs s GLN 364 Cb 0.00 -3.28 0.00 0.00 1.00 0.00 0.00 33.01 30.73 3kjs s GLN 364 CO 0.00 0.53 0.00 0.41 -2.12 0.00 0.00 175.29 174.11 3kjs n GLY 365 N 2.22 -1.33 3.62 3.09 0.00 -1.26 -4.38 105.19 107.15 3kjs n GLY 365 Ca -0.12 -1.21 -0.37 0.00 0.00 0.00 0.00 46.02 44.32 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 5.32 -0.85 1.61 1.01 -0.25 -4.70 120.40 122.53 3kjs s VAL 366 Ca 0.00 0.22 -0.23 0.00 0.00 0.00 0.00 61.98 61.97 3kjs s VAL 366 Cb 0.00 -3.54 0.07 0.00 0.00 0.00 0.00 36.38 32.91 3kjs s VAL 366 CO 0.00 0.28 1.23 -0.62 0.00 0.00 0.00 175.10 175.99 3kjs s ASP 367 N 1.45 6.37 0.11 3.32 -1.08 -1.19 -1.62 116.67 124.03 3kjs s ASP 367 Ca 0.08 -1.23 -0.12 0.00 -0.52 0.00 0.00 52.55 50.75 3kjs s ASP 367 Cb -0.15 -2.50 -0.13 0.00 -1.46 0.00 0.00 42.92 38.69 3kjs s ASP 367 CO 0.08 -1.48 1.35 1.56 0.52 0.00 0.00 175.17 177.20 3kjs h GLN 368 N 9.59 0.83 -0.20 4.34 4.20 -1.06 -2.63 115.11 130.18 3kjs h GLN 368 Ca -0.04 -0.61 -0.01 0.00 0.06 0.00 0.00 58.65 58.05 3kjs h GLN 368 Cb 1.04 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.91 3kjs h GLN 368 CO 1.27 1.23 0.08 0.82 -0.67 0.00 0.00 178.83 181.56 3kjs h ILE 369 N 0.59 1.16 -0.79 2.54 1.08 -1.88 -1.55 117.51 118.67 3kjs h ILE 369 Ca -0.02 -0.50 -0.02 0.00 -0.39 0.00 0.00 64.86 63.93 3kjs h ILE 369 Cb 1.29 1.11 -0.04 0.00 -3.07 0.00 0.00 36.82 36.12 3kjs h ILE 369 CO 0.14 0.16 0.43 0.50 -0.69 0.00 0.00 178.15 178.69 3kjs h LYS 370 N 0.18 1.10 -0.77 2.37 3.64 -1.88 -0.67 116.57 120.54 3kjs h LYS 370 Ca 0.07 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 3kjs h LYS 370 Cb 0.18 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 3kjs h LYS 370 CO -0.01 0.82 0.35 0.00 -2.27 0.00 0.00 179.45 178.34 3kjs h ALA 371 N 1.22 0.99 -0.17 5.00 0.00 -1.32 -1.33 119.26 123.65 3kjs h ALA 371 Ca 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3kjs h ALA 371 Cb 0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3kjs h ALA 371 CO -0.04 0.58 0.06 0.82 0.00 0.00 0.00 179.25 180.66 3kjs h ILE 372 N 1.09 1.18 -0.73 0.00 2.04 -0.87 -1.46 117.51 118.76 3kjs h ILE 372 Ca 0.26 -0.54 0.08 0.00 1.00 0.00 0.00 64.86 65.65 3kjs h ILE 372 Cb 0.15 1.22 -0.06 0.00 -0.74 0.00 0.00 36.82 37.39 3kjs h ILE 372 CO -0.03 0.17 0.40 0.58 0.00 0.00 0.00 178.15 179.27 3kjs h VAL 373 N 0.10 0.93 -0.56 1.67 2.07 -0.93 0.91 116.25 120.44 3kjs h VAL 373 Ca 0.05 -0.24 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 3kjs h VAL 373 Cb 0.21 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 3kjs h VAL 373 CO -0.00 0.13 0.15 -0.33 0.02 0.00 0.00 177.57 177.53 3kjs h GLU 374 N 0.71 0.89 -0.20 1.57 5.08 -1.10 -3.02 114.58 118.51 3kjs h GLU 374 Ca 0.34 -0.21 -0.15 0.00 -1.00 0.00 0.00 59.36 58.34 3kjs h GLU 374 Cb 0.27 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3kjs h GLU 374 CO -0.22 0.82 -0.50 1.15 -1.00 0.00 0.00 179.01 179.26 3kjs h THR 375 N 0.79 1.32 -0.06 1.13 2.02 -0.72 -2.96 112.91 114.43 3kjs h THR 375 Ca 0.18 -1.73 -0.01 0.00 0.77 0.00 0.00 66.41 65.62 3kjs h THR 375 Cb 0.33 1.70 -0.00 0.00 -1.74 0.00 0.00 68.15 68.44 3kjs h THR 375 CO -0.00 0.54 -0.01 -0.07 0.37 0.00 0.00 175.52 176.34 3kjs h LEU 376 N 0.43 0.07 0.00 2.58 3.38 -0.74 0.17 115.31 121.21 3kjs h LEU 376 Ca 0.02 -0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.78 3kjs h LEU 376 Cb 1.03 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 3kjs h LEU 376 CO 0.09 0.11 -1.19 0.11 0.09 0.00 0.00 178.44 177.65 3kjs h LYS 377 N 0.08 0.00 0.00 1.13 1.57 -1.41 -3.37 116.57 114.58 3kjs h LYS 377 Ca 0.02 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.51 3kjs h LYS 377 Cb 0.09 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.34 3kjs h LYS 377 CO 0.00 0.63 -2.10 0.25 -0.57 0.00 0.00 179.45 177.66 3kjs n THR 378 N -3.15 1.11 -3.48 -0.16 -2.24 -1.08 -4.87 114.28 100.41 3kjs n THR 378 Ca -0.06 -0.45 -0.28 0.00 -2.27 0.00 0.00 64.05 60.98 3kjs n THR 378 Cb 0.91 -1.12 -0.11 0.00 -2.10 0.00 0.00 70.33 67.91 3kjs n THR 378 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3kjs s ASN 379 N -5.77 2.51 0.53 3.42 2.47 0.58 -4.99 114.94 113.69 3kjs s ASN 379 Ca -0.24 -2.65 0.34 0.00 0.42 0.00 0.00 52.86 50.73 3kjs s ASN 379 Cb 0.06 -0.53 1.48 0.00 -1.45 0.00 0.00 41.25 40.82 3kjs s ASN 379 CO 0.47 -0.24 2.01 -0.65 -3.72 0.00 0.00 177.10 174.97 3kjs h PRO 380 N 6.38 0.00 0.00 0.43 0.11 -1.72 -2.48 132.00 134.72 3kjs h PRO 380 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3kjs h PRO 380 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3kjs h PRO 380 CO 0.35 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.89 3kjs n ASP 381 N -2.98 0.57 -4.61 -2.05 8.00 -1.26 -4.14 116.55 110.09 3kjs n ASP 381 Ca 0.00 0.61 -0.44 0.00 0.71 0.00 0.00 54.79 55.67 3kjs n ASP 381 Cb 0.26 -0.74 -0.01 0.00 -0.02 0.00 0.00 41.12 40.60 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 -2.09 1.54 -0.75 -2.24 2.03 -0.93 -4.92 116.55 109.18 3kjs n ASP 382 Ca 0.04 1.18 0.07 0.00 0.52 0.00 0.00 54.79 56.60 3kjs n ASP 382 Cb 0.29 -1.32 0.15 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 0.68 2.25 -0.45 -0.67 1.74 -1.26 -4.49 116.66 114.46 3kjs n ARG 383 Ca 0.09 -1.94 0.08 0.00 -0.77 0.00 0.00 57.85 55.31 3kjs n ARG 383 Cb 0.33 -1.33 0.26 0.00 -1.02 0.00 0.00 32.46 30.70 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 0.81 3.11 -2.18 5.56 3.00 -1.26 -4.88 116.66 120.83 3kjs n ARG 384 Ca 0.13 -2.75 -0.43 0.00 -0.01 0.00 0.00 57.85 54.80 3kjs n ARG 384 Cb 0.44 -1.79 0.00 0.00 0.00 0.00 0.00 32.46 31.11 3kjs n ARG 384 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 3kjs n MET 385 N -0.19 3.20 -4.30 5.56 2.81 -1.26 -4.91 117.12 118.03 3kjs n MET 385 Ca 0.20 -3.13 -0.23 0.00 -1.81 0.00 0.00 57.70 52.74 3kjs n MET 385 Cb 0.84 -3.18 -0.12 0.00 -0.71 0.00 0.00 33.22 30.05 3kjs n MET 385 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3kjs s LEU 386 N 1.70 2.34 0.14 4.03 1.02 -1.26 -0.90 118.68 125.74 3kjs s LEU 386 Ca 0.45 -0.74 0.06 0.00 0.02 0.00 0.00 54.13 53.93 3kjs s LEU 386 Cb 0.09 -0.87 -0.04 0.00 0.02 0.00 0.00 46.19 45.39 3kjs s LEU 386 CO -0.02 0.03 -0.14 0.72 0.02 0.00 0.00 176.35 176.96 3kjs s PHE 387 N -1.41 1.46 0.03 0.29 -0.12 -0.55 -4.98 117.98 112.70 3kjs s PHE 387 Ca 0.09 -0.58 0.00 0.00 -0.05 0.00 0.00 56.93 56.40 3kjs s PHE 387 Cb -0.09 -0.74 -0.02 0.00 -0.63 0.00 0.00 43.02 41.54 3kjs s PHE 387 CO 0.05 0.18 -0.04 -0.08 -0.05 0.00 0.00 175.22 175.28 3kjs s THR 388 N -2.40 0.18 -1.30 -4.49 -1.32 -1.26 -1.35 115.64 103.70 3kjs s THR 388 Ca 0.12 -1.01 0.10 0.00 -1.21 0.00 0.00 61.69 59.70 3kjs s THR 388 Cb -0.03 -0.41 0.08 0.00 -1.51 0.00 0.00 72.50 70.63 3kjs s THR 388 CO 0.04 -0.52 0.83 0.00 -2.21 0.00 0.00 174.62 172.75 3kjs n ALA 389 N 1.46 2.49 -2.70 11.08 0.00 0.61 -4.41 120.51 129.04 3kjs n ALA 389 Ca -0.23 -0.58 -0.42 0.00 0.00 0.00 0.00 53.44 52.21 3kjs n ALA 389 Cb 0.55 -0.35 -0.02 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.88 2.80 -0.50 0.00 -0.11 -1.23 -4.77 118.94 114.25 3kjs s TRP 390 Ca 0.12 -1.18 -0.01 0.00 1.22 0.00 0.00 56.10 56.25 3kjs s TRP 390 Cb 0.09 -4.55 0.13 0.00 -1.50 0.00 0.00 33.47 27.64 3kjs s TRP 390 CO 0.13 -1.75 0.29 1.21 -4.62 0.00 0.00 176.95 172.21 3kjs s ASN 391 N 4.34 5.10 0.43 5.86 3.84 -1.26 -4.99 114.94 128.26 3kjs s ASN 391 Ca 0.42 -2.47 0.24 0.00 0.21 0.00 0.00 52.86 51.26 3kjs s ASN 391 Cb -0.01 -1.80 1.25 0.00 -0.55 0.00 0.00 41.25 40.14 3kjs s ASN 391 CO -0.07 -0.43 1.74 -0.65 -2.79 0.00 0.00 177.10 174.90 3kjs h PRO 392 N 7.44 0.25 0.00 0.43 0.11 -2.01 0.10 132.00 138.32 3kjs h PRO 392 Ca -0.07 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.98 3kjs h PRO 392 Cb 0.99 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 3kjs h PRO 392 CO 0.69 0.17 -0.19 0.66 -0.21 0.00 0.00 178.00 179.11 3kjs h SER 393 N 0.26 0.00 0.01 -2.05 4.64 -2.01 -3.23 113.55 111.17 3kjs h SER 393 Ca 0.65 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.97 3kjs h SER 393 Cb 1.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.99 3kjs h SER 393 CO -0.29 0.19 -1.46 0.00 -0.87 0.00 0.00 176.83 174.41 3kjs n ALA 394 N -2.17 3.82 -0.24 5.18 0.00 0.22 -4.56 120.51 122.76 3kjs n ALA 394 Ca 0.02 -0.56 0.05 0.00 0.00 0.00 0.00 53.44 52.95 3kjs n ALA 394 Cb 0.52 -0.77 0.17 0.00 0.00 0.00 0.00 19.45 19.36 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 -0.12 -1.93 0.00 3.38 -1.22 0.96 115.31 116.38 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 0.74 0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3kjs h LEU 395 CO 0.00 -0.09 0.00 -0.65 0.09 0.00 0.00 178.44 177.79 3kjs h PRO 396 N 0.20 0.00 -0.00 1.13 0.11 -1.80 -2.15 132.00 129.49 3kjs h PRO 396 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 3kjs h PRO 396 Cb 0.70 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.81 3kjs h PRO 396 CO -0.55 0.00 -0.35 0.54 -0.21 0.00 0.00 178.00 177.43 3kjs n ARG 397 N -2.78 0.29 -3.55 1.05 5.12 0.32 -4.90 116.66 112.21 3kjs n ARG 397 Ca -0.01 -0.15 -0.35 0.00 -1.93 0.00 0.00 57.85 55.41 3kjs n ARG 397 Cb 0.15 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 29.89 3kjs n ARG 397 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 3kjs s MET 398 N -2.82 3.78 0.18 5.56 -1.94 -0.81 -4.18 119.30 119.08 3kjs s MET 398 Ca 0.17 0.21 -0.13 0.00 -1.71 0.00 0.00 55.69 54.23 3kjs s MET 398 Cb 0.18 -2.97 0.14 0.00 2.01 0.00 0.00 34.83 34.19 3kjs s MET 398 CO 0.61 0.54 1.79 0.00 -0.01 0.00 0.00 175.02 177.95 3kjs h ALA 399 N 3.63 0.66 -3.64 3.03 0.00 -1.12 -3.42 119.26 118.40 3kjs h ALA 399 Ca -0.49 0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.14 3kjs h ALA 399 Cb 1.19 -0.08 -0.26 0.00 0.00 0.00 0.00 17.79 18.64 3kjs h ALA 399 CO 0.67 -0.07 -0.74 -0.51 0.00 0.00 0.00 179.25 178.59 3kjs s LEU 400 N -10.26 2.09 0.48 0.00 1.43 -1.26 -4.98 118.68 106.18 3kjs s LEU 400 Ca -0.13 -0.23 -0.21 0.00 -1.03 0.00 0.00 54.13 52.53 3kjs s LEU 400 Cb 0.14 -0.20 -0.07 0.00 0.03 0.00 0.00 46.19 46.09 3kjs s LEU 400 CO 0.74 -0.03 1.10 -2.16 0.23 0.00 0.00 176.35 176.23 3kjs s PRO 401 N -0.58 3.70 0.31 1.29 0.04 -1.26 -4.90 135.00 133.60 3kjs s PRO 401 Ca -0.02 1.58 -0.29 0.00 0.04 0.00 0.00 61.00 62.30 3kjs s PRO 401 Cb -0.04 -2.22 -0.10 0.00 0.04 0.00 0.00 34.50 32.18 3kjs s PRO 401 CO -0.00 -0.55 1.25 -1.25 0.04 0.00 0.00 177.00 176.48 3kjs s PRO 402 N -2.99 4.44 -0.21 0.56 0.04 -1.26 -4.96 135.00 130.61 3kjs s PRO 402 Ca 0.67 2.09 -0.14 0.00 0.04 0.00 0.00 61.00 63.66 3kjs s PRO 402 Cb -0.23 -3.11 -0.19 0.00 0.04 0.00 0.00 34.50 31.01 3kjs s PRO 402 CO 0.27 -0.07 0.06 0.00 0.04 0.00 0.00 177.00 177.29 3kjs s HIS 404 N -2.46 2.51 0.00 0.00 0.00 -1.26 -1.18 115.29 112.89 3kjs s HIS 404 Ca -0.31 0.16 0.00 0.00 -3.00 0.00 0.00 55.06 51.92 3kjs s HIS 404 Cb 0.09 -4.51 0.00 0.00 -4.00 0.00 0.00 32.58 24.16 3kjs s HIS 404 CO 0.61 -1.75 0.00 1.47 -1.00 0.00 0.00 174.74 174.07 3kjs n LEU 405 N 8.67 0.00 -3.66 5.38 -0.00 -0.97 -4.85 117.00 121.57 3kjs n LEU 405 Ca 0.05 -0.41 -0.15 0.00 -0.00 0.00 0.00 56.01 55.51 3kjs n LEU 405 Cb 0.49 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.83 3kjs n LEU 405 CO 0.70 0.00 0.25 -0.22 -0.00 0.00 0.00 177.39 178.12 3kjs s LEU 406 N -2.16 -0.04 -0.05 1.47 0.20 -1.23 -0.28 118.68 116.58 3kjs s LEU 406 Ca 0.00 0.75 -0.05 0.00 0.69 0.00 0.00 54.13 55.52 3kjs s LEU 406 Cb 0.00 1.93 0.01 0.00 -0.43 0.00 0.00 46.19 47.71 3kjs s LEU 406 CO 0.00 -0.37 0.15 0.00 -0.29 0.00 0.00 176.35 175.83 3kjs s ALA 407 N -0.53 -0.37 -0.06 5.97 0.00 -0.45 -1.19 121.76 125.14 3kjs s ALA 407 Ca -0.06 0.41 0.06 0.00 0.00 0.00 0.00 51.96 52.36 3kjs s ALA 407 Cb -0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 3kjs s ALA 407 CO 0.04 -0.07 -0.23 -1.14 0.00 0.00 0.00 175.76 174.36 3kjs s GLN 408 N 0.04 2.41 0.13 0.00 0.74 0.13 -1.48 119.66 121.64 3kjs s GLN 408 Ca -0.00 -0.84 0.03 0.00 0.05 0.00 0.00 55.36 54.59 3kjs s GLN 408 Cb -0.01 -2.04 -0.04 0.00 1.10 0.00 0.00 33.01 32.02 3kjs s GLN 408 CO 0.00 0.34 0.23 -0.06 -0.55 0.00 0.00 175.29 175.25 3kjs s PHE 409 N -0.09 3.41 -0.09 1.67 0.08 -0.08 -0.20 117.98 122.68 3kjs s PHE 409 Ca -0.05 0.11 -0.14 0.00 0.12 0.00 0.00 56.93 56.98 3kjs s PHE 409 Cb -0.14 -1.65 0.03 0.00 -0.57 0.00 0.00 43.02 40.70 3kjs s PHE 409 CO 0.04 0.53 0.34 -0.47 -0.10 0.00 0.00 175.22 175.56 3kjs s TYR 410 N -1.69 -0.32 -0.06 0.36 6.14 -0.46 -4.67 117.35 116.65 3kjs s TYR 410 Ca 0.34 0.70 0.03 0.00 0.64 0.00 0.00 57.07 58.77 3kjs s TYR 410 Cb -0.11 0.12 0.01 0.00 0.42 0.00 0.00 41.96 42.40 3kjs s TYR 410 CO 0.27 -0.27 -0.14 0.08 0.64 0.00 0.00 175.55 176.13 3kjs s VAL 411 N -0.39 1.24 -0.11 3.14 1.01 -1.26 -0.09 120.40 123.94 3kjs s VAL 411 Ca -0.05 -0.55 -0.10 0.00 0.00 0.00 0.00 61.98 61.28 3kjs s VAL 411 Cb -0.03 -1.11 0.03 0.00 0.00 0.00 0.00 36.38 35.26 3kjs s VAL 411 CO 0.02 0.38 0.29 -0.94 0.00 0.00 0.00 175.10 174.85 3kjs s SER 412 N 0.55 -0.31 -1.55 3.32 1.04 -0.74 -4.84 113.70 111.17 3kjs s SER 412 Ca -0.13 0.60 -0.12 0.00 0.48 0.00 0.00 55.95 56.77 3kjs s SER 412 Cb -0.15 0.58 0.09 0.00 0.10 0.00 0.00 66.02 66.64 3kjs s SER 412 CO 0.04 -0.11 0.81 0.59 0.98 0.00 0.00 173.24 175.55 3kjs n ASN 413 N 3.13 -3.33 -0.17 7.02 3.02 -1.26 -0.47 115.26 123.20 3kjs n ASN 413 Ca -0.15 -0.89 -0.02 0.00 -0.03 0.00 0.00 54.58 53.49 3kjs n ASN 413 Cb 0.57 -3.42 -0.01 0.00 -0.61 0.00 0.00 39.78 36.31 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 -1.63 0.40 3.57 7.41 0.00 -1.26 -4.99 105.19 108.69 3kjs n GLY 414 Ca -0.03 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.54 3.44 -0.17 1.61 2.02 0.37 -0.93 118.70 123.51 3kjs s GLU 415 Ca 0.00 -0.47 -0.17 0.00 0.02 0.00 0.00 54.97 54.35 3kjs s GLU 415 Cb 0.00 -2.89 -0.04 0.00 0.10 0.00 0.00 34.13 31.30 3kjs s GLU 415 CO 0.00 0.41 0.44 -1.17 0.02 0.00 0.00 175.26 174.96 3kjs s LEU 416 N -0.08 4.20 0.22 1.80 2.96 0.13 -1.78 118.68 126.13 3kjs s LEU 416 Ca 0.03 0.65 0.10 0.00 -0.22 0.00 0.00 54.13 54.69 3kjs s LEU 416 Cb -0.13 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 3kjs s LEU 416 CO 0.02 -0.06 -0.13 -0.44 -1.32 0.00 0.00 176.35 174.43 3kjs s SER 417 N 0.87 4.03 -0.01 3.68 0.01 0.88 0.52 113.70 123.67 3kjs s SER 417 Ca 0.22 -0.73 0.02 0.00 1.31 0.00 0.00 55.95 56.77 3kjs s SER 417 Cb -0.15 -0.58 -0.00 0.00 0.21 0.00 0.00 66.02 65.50 3kjs s SER 417 CO 0.09 0.08 -0.08 0.00 0.41 0.00 0.00 173.24 173.74 3kjs s MET 419 N 0.00 3.34 -0.15 0.00 -2.45 0.72 0.09 119.30 120.85 3kjs s MET 419 Ca 0.00 -0.66 -0.10 0.00 -1.25 0.00 0.00 55.69 53.68 3kjs s MET 419 Cb -0.05 -2.89 -0.05 0.00 1.25 0.00 0.00 34.83 33.09 3kjs s MET 419 CO -0.00 -0.12 0.19 -1.17 1.05 0.00 0.00 175.02 174.97 3kjs s LEU 420 N 1.24 4.29 -0.23 4.11 2.96 0.40 -0.69 118.68 130.75 3kjs s LEU 420 Ca 0.03 0.41 -0.06 0.00 -0.22 0.00 0.00 54.13 54.28 3kjs s LEU 420 Cb -0.14 -2.18 -0.02 0.00 0.50 0.00 0.00 46.19 44.34 3kjs s LEU 420 CO -0.03 0.24 0.04 -0.47 -1.32 0.00 0.00 176.35 174.81 3kjs s TYR 421 N -0.11 3.06 -0.18 5.38 6.14 -0.33 -0.10 117.35 131.20 3kjs s TYR 421 Ca 0.13 -0.51 0.01 0.00 0.64 0.00 0.00 57.07 57.33 3kjs s TYR 421 Cb -0.12 -2.19 0.02 0.00 0.42 0.00 0.00 41.96 40.10 3kjs s TYR 421 CO 0.02 -0.36 -0.18 -1.14 0.64 0.00 0.00 175.55 174.53 3kjs s GLN 422 N 1.46 2.75 0.20 4.97 0.74 0.18 -2.29 119.66 127.67 3kjs s GLN 422 Ca 0.05 -0.81 0.01 0.00 0.05 0.00 0.00 55.36 54.66 3kjs s GLN 422 Cb -0.15 -2.49 0.13 0.00 1.10 0.00 0.00 33.01 31.61 3kjs s GLN 422 CO 0.02 -0.25 1.49 0.07 -0.55 0.00 0.00 175.29 176.07 3kjs h ARG 423 N 7.95 0.36 -3.28 1.67 0.11 -1.44 0.27 114.38 120.03 3kjs h ARG 423 Ca -0.42 -0.27 -0.37 0.00 0.10 0.00 0.00 59.98 59.02 3kjs h ARG 423 Cb 1.13 0.05 -0.39 0.00 1.11 0.00 0.00 29.97 31.87 3kjs h ARG 423 CO 0.60 0.89 -0.73 0.45 0.10 0.00 0.00 179.97 181.28 3kjs s SER 424 N -6.93 1.19 -0.24 0.08 0.15 -1.26 -0.32 113.70 106.37 3kjs s SER 424 Ca -0.05 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.65 3kjs s SER 424 Cb 0.11 -0.12 0.07 0.00 -1.71 0.00 0.00 66.02 64.37 3kjs s SER 424 CO 0.82 -0.26 -0.01 0.00 1.20 0.00 0.00 173.24 175.00 3kjs s ASP 426 N 1.49 6.59 0.23 0.00 2.15 -1.26 -0.53 116.67 125.34 3kjs s ASP 426 Ca -0.02 0.39 -0.07 0.00 0.43 0.00 0.00 52.55 53.29 3kjs s ASP 426 Cb -0.18 -2.55 0.21 0.00 -0.30 0.00 0.00 42.92 40.10 3kjs s ASP 426 CO -0.09 -1.29 1.83 0.24 -0.17 0.00 0.00 175.17 175.68 3kjs h MET 427 N 9.29 1.22 -0.24 4.34 2.86 -1.26 -1.03 114.93 130.11 3kjs h MET 427 Ca -0.23 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.22 3kjs h MET 427 Cb 1.06 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 3kjs h MET 427 CO 1.14 0.92 0.11 0.78 1.06 0.00 0.00 176.91 180.92 3kjs h GLY 428 N 1.22 0.37 0.00 8.32 0.00 -1.92 -3.40 103.07 107.66 3kjs h GLY 428 Ca 0.29 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.41 3kjs h GLY 428 CO -0.04 0.18 -0.68 -0.10 0.00 0.00 0.00 176.54 175.91 3kjs n LEU 429 N -4.82 0.66 -0.11 3.11 7.94 -1.20 -4.78 117.00 117.79 3kjs n LEU 429 Ca -0.03 0.09 -0.09 0.00 -1.11 0.00 0.00 56.01 54.87 3kjs n LEU 429 Cb 0.11 -0.22 -0.02 0.00 0.53 0.00 0.00 43.42 43.83 3kjs n LEU 429 CO 0.35 -0.29 0.92 1.23 -1.11 0.00 0.00 177.39 178.49 3kjs h GLY 430 N -0.10 0.55 0.97 -3.96 0.00 -1.66 -3.04 103.07 95.82 3kjs h GLY 430 Ca -0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 3kjs h GLY 430 CO -0.02 0.27 -0.15 -2.08 0.00 0.00 0.00 176.54 174.56 3kjs h VAL 431 N 0.42 0.71 -0.71 4.60 2.07 -1.41 0.57 116.25 122.49 3kjs h VAL 431 Ca 0.12 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.61 3kjs h VAL 431 Cb 0.16 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 3kjs h VAL 431 CO -0.01 0.02 0.47 -0.65 0.02 0.00 0.00 177.57 177.41 3kjs h PRO 432 N -0.45 0.78 -0.22 1.57 0.11 -1.77 -0.15 132.00 131.87 3kjs h PRO 432 Ca -0.04 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 3kjs h PRO 432 Cb 0.34 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 3kjs h PRO 432 CO 0.07 0.52 0.12 0.35 -0.21 0.00 0.00 178.00 178.84 3kjs h PHE 433 N 0.81 0.32 0.00 0.65 3.04 -1.37 -2.75 116.94 117.63 3kjs h PHE 433 Ca 0.30 -0.01 -0.11 0.00 3.98 0.00 0.00 57.97 62.12 3kjs h PHE 433 Cb 0.15 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.55 3kjs h PHE 433 CO -0.00 0.30 -0.55 -0.91 -2.02 0.00 0.00 178.31 175.13 3kjs h ASN 434 N 0.24 0.00 -0.18 0.41 2.35 -0.03 -0.53 115.58 117.85 3kjs h ASN 434 Ca 0.08 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 3kjs h ASN 434 Cb 0.09 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 3kjs h ASN 434 CO -0.01 0.55 0.08 0.40 -1.65 0.00 0.00 177.43 176.80 3kjs h ILE 435 N 0.00 1.14 -0.57 2.81 2.04 -1.04 -1.93 117.51 119.96 3kjs h ILE 435 Ca -0.01 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 3kjs h ILE 435 Cb 1.06 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 3kjs h ILE 435 CO 0.07 0.14 0.28 0.00 0.00 0.00 0.00 178.15 178.64 3kjs h ALA 436 N 0.94 0.74 -0.14 1.87 0.00 -1.20 -1.25 119.26 120.21 3kjs h ALA 436 Ca 0.06 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.88 3kjs h ALA 436 Cb 0.14 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3kjs h ALA 436 CO -0.01 0.30 -0.13 0.77 0.00 0.00 0.00 179.25 180.19 3kjs h SER 437 N 0.78 -0.40 1.80 0.00 0.02 -0.98 -1.70 113.55 113.07 3kjs h SER 437 Ca 0.20 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.22 3kjs h SER 437 Cb 0.11 0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 3kjs h SER 437 CO -0.03 -0.17 -0.20 1.88 -1.14 0.00 0.00 176.83 177.18 3kjs h TYR 438 N -0.14 0.00 -0.09 3.45 -1.99 -1.29 -1.30 116.97 115.60 3kjs h TYR 438 Ca 0.09 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.82 3kjs h TYR 438 Cb 0.28 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.01 3kjs h TYR 438 CO -0.25 0.03 0.06 0.00 -0.00 0.00 0.00 178.16 177.99 3kjs h ALA 439 N 1.97 0.12 -0.62 3.88 0.00 -1.10 -1.99 119.26 121.52 3kjs h ALA 439 Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3kjs h ALA 439 Cb 1.02 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3kjs h ALA 439 CO 0.00 -0.37 0.32 1.25 0.00 0.00 0.00 179.25 180.45 3kjs h LEU 440 N 0.11 0.80 -0.27 0.00 5.85 -0.93 -1.53 115.31 119.33 3kjs h LEU 440 Ca 0.03 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 3kjs h LEU 440 Cb 0.01 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 3kjs h LEU 440 CO -0.01 0.68 0.16 0.25 -0.34 0.00 0.00 178.44 179.19 3kjs h LEU 441 N 0.85 0.33 -0.57 2.25 5.85 -1.21 0.18 115.31 122.99 3kjs h LEU 441 Ca 0.22 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3kjs h LEU 441 Cb 0.08 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3kjs h LEU 441 CO -0.03 0.28 0.30 0.74 -0.34 0.00 0.00 178.44 179.39 3kjs h THR 442 N 0.34 1.20 -0.23 1.05 2.02 -1.24 0.70 112.91 116.74 3kjs h THR 442 Ca 0.10 -0.52 0.03 0.00 0.77 0.00 0.00 66.41 66.79 3kjs h THR 442 Cb 0.02 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 3kjs h THR 442 CO -0.02 0.22 0.04 0.40 0.37 0.00 0.00 175.52 176.53 3kjs h ILE 443 N 0.78 0.88 -0.55 3.11 2.04 -0.96 -0.83 117.51 121.98 3kjs h ILE 443 Ca 0.20 -0.04 -0.10 0.00 1.00 0.00 0.00 64.86 65.92 3kjs h ILE 443 Cb 0.07 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 3kjs h ILE 443 CO -0.03 0.02 -0.04 -0.07 0.00 0.00 0.00 178.15 178.03 3kjs h LEU 444 N 0.12 0.99 -0.59 1.44 3.38 -0.56 -2.14 115.31 117.94 3kjs h LEU 444 Ca 0.11 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 3kjs h LEU 444 Cb 0.11 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3kjs h LEU 444 CO -0.15 1.08 0.09 0.40 0.09 0.00 0.00 178.44 179.96 3kjs h ILE 445 N 0.88 1.26 -0.87 1.22 1.08 -0.75 -1.53 117.51 118.79 3kjs h ILE 445 Ca 0.15 -0.99 0.07 0.00 -0.39 0.00 0.00 64.86 63.70 3kjs h ILE 445 Cb 0.60 0.75 -0.06 0.00 -3.07 0.00 0.00 36.82 35.04 3kjs h ILE 445 CO 0.04 0.36 0.53 0.00 -0.69 0.00 0.00 178.15 178.40 3kjs h ALA 446 N 1.01 1.21 0.00 1.87 0.00 -1.00 -1.17 119.26 121.18 3kjs h ALA 446 Ca 0.18 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3kjs h ALA 446 Cb 0.42 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3kjs h ALA 446 CO 0.01 0.26 -0.29 0.87 0.00 0.00 0.00 179.25 180.10 3kjs h LYS 447 N 0.96 0.00 -0.00 0.00 1.57 -0.93 -1.28 116.57 116.88 3kjs h LYS 447 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3kjs h LYS 447 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3kjs h LYS 447 CO -0.19 0.29 -0.20 0.00 -0.57 0.00 0.00 179.45 178.79 3kjs n ALA 448 N -2.38 2.89 -0.50 3.86 0.00 -0.50 -4.13 120.51 119.75 3kjs n ALA 448 Ca -0.02 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3kjs n ALA 448 Cb 0.37 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.22 0.39 -2.15 0.00 -2.24 -0.85 -4.47 114.28 103.75 3kjs n THR 449 Ca 0.10 -0.45 -0.12 0.00 -2.27 0.00 0.00 64.05 61.32 3kjs n THR 449 Cb 0.31 0.92 -0.01 0.00 -2.10 0.00 0.00 70.33 69.45 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 0.00 3.66 3.38 0.00 -0.91 -4.69 105.19 106.44 3kjs n GLY 450 Ca 0.00 -0.40 -0.25 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.31 3.01 -0.01 0.99 1.43 -0.53 -5.05 118.68 115.20 3kjs s LEU 451 Ca 0.00 -1.07 -0.02 0.00 -1.03 0.00 0.00 54.13 52.02 3kjs s LEU 451 Cb 0.00 -1.32 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 3kjs s LEU 451 CO 0.00 -0.35 0.13 -0.13 0.23 0.00 0.00 176.35 176.23 3kjs s ARG 452 N -3.77 3.25 0.26 1.70 0.52 -0.10 -4.32 118.95 116.48 3kjs s ARG 452 Ca 0.37 -0.39 -0.31 0.00 -0.52 0.00 0.00 55.73 54.88 3kjs s ARG 452 Cb 0.02 -2.98 -0.11 0.00 0.52 0.00 0.00 34.95 32.40 3kjs s ARG 452 CO 0.20 0.67 1.63 -2.14 0.02 0.00 0.00 175.30 175.68 3kjs s PRO 453 N -1.78 4.13 0.00 3.54 0.02 -1.26 0.20 135.00 139.85 3kjs s PRO 453 Ca 0.24 2.58 0.00 0.00 0.02 0.00 0.00 61.00 63.84 3kjs s PRO 453 Cb -0.12 -3.05 0.00 0.00 0.02 0.00 0.00 34.50 31.35 3kjs s PRO 453 CO 0.15 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.57 3kjs n GLY 454 N 2.82 0.52 3.29 0.52 0.00 0.18 -3.79 105.19 108.73 3kjs n GLY 454 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 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 1.21 1.40 -0.22 1.61 2.02 -1.23 0.62 118.70 124.12 3kjs s GLU 455 Ca 0.00 -1.06 -0.10 0.00 0.02 0.00 0.00 54.97 53.83 3kjs s GLU 455 Cb 0.00 -1.60 -0.05 0.00 0.10 0.00 0.00 34.13 32.58 3kjs s GLU 455 CO 0.00 0.40 0.14 -1.17 0.02 0.00 0.00 175.26 174.65 3kjs s LEU 456 N -1.44 4.11 -0.12 1.80 2.96 0.15 -1.15 118.68 124.99 3kjs s LEU 456 Ca 0.09 0.15 -0.00 0.00 -0.22 0.00 0.00 54.13 54.14 3kjs s LEU 456 Cb -0.09 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.50 3kjs s LEU 456 CO 0.03 0.12 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.38 3kjs s VAL 457 N 0.71 3.28 -0.23 1.68 1.01 0.11 -0.25 120.40 126.71 3kjs s VAL 457 Ca 0.07 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.48 3kjs s VAL 457 Cb -0.12 -2.38 0.04 0.00 0.00 0.00 0.00 36.38 33.92 3kjs s VAL 457 CO 0.01 0.53 -0.14 -2.28 0.00 0.00 0.00 175.10 173.22 3kjs s HIS 458 N 0.11 3.07 -0.19 5.22 2.46 0.55 -0.45 115.29 126.07 3kjs s HIS 458 Ca -0.05 -2.04 -0.09 0.00 0.47 0.00 0.00 55.06 53.35 3kjs s HIS 458 Cb -0.14 -1.93 -0.05 0.00 -0.13 0.00 0.00 32.58 30.33 3kjs s HIS 458 CO 0.04 -0.85 0.10 0.99 -2.47 0.00 0.00 174.74 172.55 3kjs s THR 459 N 1.18 5.14 -0.10 0.89 2.01 0.85 -0.95 115.64 124.66 3kjs s THR 459 Ca -0.03 0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.08 3kjs s THR 459 Cb -0.17 -3.33 -0.02 0.00 0.01 0.00 0.00 72.50 68.99 3kjs s THR 459 CO -0.08 0.46 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.39 3kjs s LEU 460 N 0.31 2.61 0.00 4.42 1.02 -0.32 -0.65 118.68 126.07 3kjs s LEU 460 Ca 0.06 -0.33 0.00 0.00 0.02 0.00 0.00 54.13 53.88 3kjs s LEU 460 Cb -0.12 -1.56 0.00 0.00 0.02 0.00 0.00 46.19 44.54 3kjs s LEU 460 CO -0.01 0.22 0.00 0.61 0.02 0.00 0.00 176.35 177.19 3kjs n GLY 461 N 3.17 1.30 3.55 -3.19 0.00 0.96 -1.54 105.19 109.44 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 5.94 -0.26 1.61 -1.08 0.56 -1.17 116.67 121.28 3kjs s ASP 462 Ca 0.00 -0.38 -0.11 0.00 -0.52 0.00 0.00 52.55 51.54 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 -1.97 0.19 0.00 0.52 0.00 0.00 175.17 173.91 3kjs s ALA 463 N 6.62 3.57 0.06 3.66 0.00 -0.18 -0.20 121.76 135.29 3kjs s ALA 463 Ca 0.45 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 51.40 3kjs s ALA 463 Cb -0.08 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.59 3kjs s ALA 463 CO 0.13 -0.39 0.03 -3.38 0.00 0.00 0.00 175.76 172.15 3kjs s HIS 464 N 1.45 0.44 -0.02 0.00 -3.43 0.32 -1.16 115.29 112.88 3kjs s HIS 464 Ca 0.08 -0.95 0.03 0.00 -0.80 0.00 0.00 55.06 53.41 3kjs s HIS 464 Cb -0.15 -0.31 0.00 0.00 -1.43 0.00 0.00 32.58 30.69 3kjs s HIS 464 CO 0.08 -0.42 -0.10 0.08 -2.00 0.00 0.00 174.74 172.38 3kjs s VAL 465 N -3.91 0.83 0.31 -5.38 1.01 0.10 -0.62 120.40 112.74 3kjs s VAL 465 Ca 0.07 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 61.37 3kjs s VAL 465 Cb 0.07 -0.73 -0.10 0.00 0.00 0.00 0.00 36.38 35.62 3kjs s VAL 465 CO -0.10 0.25 1.36 -0.31 0.00 0.00 0.00 175.10 176.30 3kjs s TYR 466 N 0.14 3.01 0.41 5.22 2.02 -1.26 0.12 117.35 127.01 3kjs s TYR 466 Ca -0.02 1.28 0.10 0.00 -0.37 0.00 0.00 57.07 58.06 3kjs s TYR 466 Cb -0.08 -3.74 0.92 0.00 -0.40 0.00 0.00 41.96 38.66 3kjs s TYR 466 CO 0.00 -2.17 1.99 0.77 -1.57 0.00 0.00 175.55 174.57 3kjs h SER 467 N 3.91 0.46 -0.16 2.29 0.02 -1.69 -1.82 113.55 116.56 3kjs h SER 467 Ca -0.48 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.26 3kjs h SER 467 Cb 1.22 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 63.68 3kjs h SER 467 CO 0.69 0.30 -0.70 -0.55 -1.14 0.00 0.00 176.83 175.43 3kjs h ASN 468 N 0.52 0.92 0.00 3.07 -1.07 -1.92 -3.22 115.58 113.89 3kjs h ASN 468 Ca 0.26 -0.57 0.00 0.00 0.07 0.00 0.00 56.30 56.06 3kjs h ASN 468 Cb 0.35 -0.27 0.00 0.00 -2.07 0.00 0.00 38.32 36.33 3kjs h ASN 468 CO -0.08 1.36 0.00 1.41 0.07 0.00 0.00 177.43 180.20 3kjs n HIS 469 N -3.95 0.00 0.18 4.14 8.25 -0.69 -4.09 115.22 119.06 3kjs n HIS 469 Ca -0.06 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.26 3kjs n HIS 469 Cb 0.71 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.74 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 0.71 -0.48 1.59 2.07 -1.54 -2.23 116.25 116.36 3kjs h VAL 470 Ca 0.00 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 3kjs h VAL 470 Cb 0.00 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 3kjs h VAL 470 CO 0.00 0.06 0.27 -0.33 0.02 0.00 0.00 177.57 177.59 3kjs h GLU 471 N -0.60 0.67 -0.32 1.57 4.39 -1.86 -1.01 114.58 117.42 3kjs h GLU 471 Ca -0.04 -0.08 0.07 0.00 0.34 0.00 0.00 59.36 59.65 3kjs h GLU 471 Cb 0.43 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 28.89 3kjs h GLU 471 CO 0.07 0.52 -0.10 -1.35 -1.16 0.00 0.00 179.01 176.99 3kjs h PRO 472 N 0.63 -0.03 -0.65 2.33 0.11 -1.83 -2.49 132.00 130.08 3kjs h PRO 472 Ca 0.17 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.33 3kjs h PRO 472 Cb 0.04 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.11 3kjs h PRO 472 CO -0.03 -0.02 0.37 0.00 -0.21 0.00 0.00 178.00 178.11 3kjs h ASN 474 N 0.69 0.74 -0.14 0.00 2.35 -0.88 0.87 115.58 119.21 3kjs h ASN 474 Ca 0.29 0.02 -0.19 0.00 -0.55 0.00 0.00 56.30 55.86 3kjs h ASN 474 Cb 0.15 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.38 3kjs h ASN 474 CO -0.17 0.45 -0.63 -0.33 -1.65 0.00 0.00 177.43 175.10 3kjs h GLU 475 N 0.83 0.76 -0.28 0.81 4.39 -0.98 -3.06 114.58 117.05 3kjs h GLU 475 Ca 0.38 -0.53 -0.03 0.00 0.34 0.00 0.00 59.36 59.52 3kjs h GLU 475 Cb 0.37 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 3kjs h GLU 475 CO -0.15 1.15 0.04 0.37 -1.16 0.00 0.00 179.01 179.26 3kjs h GLN 476 N 0.56 0.41 0.00 2.33 4.15 -0.58 -3.07 115.11 118.90 3kjs h GLN 476 Ca -0.01 -0.07 -0.03 0.00 0.77 0.00 0.00 58.65 59.31 3kjs h GLN 476 Cb 1.23 -0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.85 3kjs h GLN 476 CO 0.13 0.41 -0.15 -0.07 -1.93 0.00 0.00 178.83 177.22 3kjs h LEU 477 N 0.40 0.00 -1.04 -2.39 3.38 -0.75 -1.84 115.31 113.08 3kjs h LEU 477 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3kjs h LEU 477 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3kjs h LEU 477 CO 0.00 0.15 0.00 0.29 0.09 0.00 0.00 178.44 178.97 3kjs n LYS 478 N -3.74 1.67 -3.00 1.13 4.76 -1.16 -4.83 118.16 113.00 3kjs n LYS 478 Ca -0.02 -1.02 -0.39 0.00 -2.87 0.00 0.00 58.31 54.01 3kjs n LYS 478 Cb 0.26 -1.33 -0.06 0.00 -1.84 0.00 0.00 35.03 32.06 3kjs n LYS 478 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3kjs s ARG 479 N -1.73 4.54 -0.31 1.97 0.52 -0.69 -5.04 118.95 118.21 3kjs s ARG 479 Ca 0.28 1.13 -0.20 0.00 -0.52 0.00 0.00 55.73 56.42 3kjs s ARG 479 Cb 0.15 -3.24 -0.01 0.00 0.52 0.00 0.00 34.95 32.37 3kjs s ARG 479 CO 0.21 0.57 0.64 0.08 0.02 0.00 0.00 175.30 176.82 3kjs s VAL 480 N -1.16 4.92 0.30 3.52 1.01 -1.26 -5.02 120.40 122.71 3kjs s VAL 480 Ca 0.36 0.83 -0.29 0.00 0.00 0.00 0.00 61.98 62.88 3kjs s VAL 480 Cb -0.23 -4.02 -0.13 0.00 0.00 0.00 0.00 36.38 32.00 3kjs s VAL 480 CO 0.26 -0.18 1.30 -2.65 0.00 0.00 0.00 175.10 173.83 3kjs n PRO 481 N 5.93 2.03 -2.55 2.72 -0.02 -1.26 -4.96 135.00 136.90 3kjs n PRO 481 Ca -0.01 0.72 -0.23 0.00 -2.02 0.00 0.00 63.50 61.96 3kjs n PRO 481 Cb 0.49 -2.30 0.07 0.00 -0.02 0.00 0.00 33.50 31.73 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 -1.36 2.11 0.43 -0.52 0.52 -1.26 -4.29 118.95 114.58 3kjs s ARG 482 Ca 0.60 -0.84 -0.25 0.00 -0.52 0.00 0.00 55.73 54.71 3kjs s ARG 482 Cb -0.61 -2.37 -0.08 0.00 0.52 0.00 0.00 34.95 32.41 3kjs s ARG 482 CO 0.58 -1.11 1.34 0.00 0.02 0.00 0.00 175.30 176.13 3kjs s ALA 483 N -3.00 3.22 0.74 2.13 0.00 -1.26 -4.73 121.76 118.85 3kjs s ALA 483 Ca 0.62 1.29 -0.14 0.00 0.00 0.00 0.00 51.96 53.73 3kjs s ALA 483 Cb -0.08 -3.52 0.05 0.00 0.00 0.00 0.00 23.12 19.57 3kjs s ALA 483 CO 0.42 -0.96 1.16 -0.06 0.00 0.00 0.00 175.76 176.32 3kjs s PHE 484 N -1.26 2.19 0.00 0.00 0.08 -1.26 -4.79 117.98 112.94 3kjs s PHE 484 Ca 0.59 1.61 0.00 0.00 0.12 0.00 0.00 56.93 59.25 3kjs s PHE 484 Cb -0.39 -3.33 0.00 0.00 -0.57 0.00 0.00 43.02 38.73 3kjs s PHE 484 CO 0.50 -2.31 0.00 -0.35 -0.10 0.00 0.00 175.22 172.96 3kjs n PRO 485 N -2.95 0.19 -4.16 0.24 -0.04 -1.23 -4.88 135.00 122.18 3kjs n PRO 485 Ca 0.12 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.44 3kjs n PRO 485 Cb 0.51 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.86 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 -0.67 0.97 -0.15 0.54 1.51 -0.39 -1.13 117.35 118.02 3kjs s TYR 486 Ca 0.00 -0.68 0.00 0.00 -1.01 0.00 0.00 57.07 55.39 3kjs s TYR 486 Cb 0.00 -0.54 -0.00 0.00 -0.11 0.00 0.00 41.96 41.31 3kjs s TYR 486 CO 0.00 -0.04 -0.15 -1.17 -1.11 0.00 0.00 175.55 173.07 3kjs s LEU 487 N -2.41 2.48 0.15 -1.29 2.96 0.14 -0.84 118.68 119.88 3kjs s LEU 487 Ca 0.04 -0.46 0.10 0.00 -0.22 0.00 0.00 54.13 53.59 3kjs s LEU 487 Cb -0.03 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 3kjs s LEU 487 CO -0.01 0.09 -0.22 0.68 -1.32 0.00 0.00 176.35 175.58 3kjs s VAL 488 N 0.76 2.02 -0.29 1.68 -7.23 -0.71 -4.78 120.40 111.86 3kjs s VAL 488 Ca -0.06 -1.84 -0.10 0.00 -1.81 0.00 0.00 61.98 58.16 3kjs s VAL 488 Cb -0.15 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 34.87 3kjs s VAL 488 CO 0.01 -0.14 0.16 -0.36 -0.31 0.00 0.00 175.10 174.46 3kjs s PHE 489 N -1.59 3.18 0.34 2.82 0.40 -1.26 -0.54 117.98 121.34 3kjs s PHE 489 Ca 0.15 -0.20 0.06 0.00 -0.60 0.00 0.00 56.93 56.34 3kjs s PHE 489 Cb -0.08 -2.36 0.63 0.00 0.51 0.00 0.00 43.02 41.72 3kjs s PHE 489 CO 0.07 -0.30 1.85 -0.09 0.70 0.00 0.00 175.22 177.45 3kjs h ARG 490 N 8.36 0.37 -3.19 0.44 2.43 -0.86 -3.47 114.38 118.46 3kjs h ARG 490 Ca -0.35 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 58.73 3kjs h ARG 490 Cb 1.17 -0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 30.59 3kjs h ARG 490 CO 0.58 0.51 0.11 -0.98 -1.51 0.00 0.00 179.97 178.68 3kjs s ARG 491 N -4.72 1.51 0.53 0.20 1.70 -1.16 -5.08 118.95 111.94 3kjs s ARG 491 Ca -0.06 -0.88 0.04 0.00 -0.47 0.00 0.00 55.73 54.36 3kjs s ARG 491 Cb 0.15 0.56 0.02 0.00 -0.57 0.00 0.00 34.95 35.11 3kjs s ARG 491 CO 0.76 -0.66 0.29 -1.21 -1.08 0.00 0.00 175.30 173.39 3kjs s GLU 492 N -3.88 2.24 0.07 3.89 0.41 -1.26 -4.83 118.70 115.34 3kjs s GLU 492 Ca 0.10 -2.13 0.00 0.00 -0.41 0.00 0.00 54.97 52.53 3kjs s GLU 492 Cb -0.03 -1.94 -0.04 0.00 -1.78 0.00 0.00 34.13 30.34 3kjs s GLU 492 CO -0.00 -0.55 -0.05 1.03 -0.49 0.00 0.00 175.26 175.21 3kjs s ARG 493 N -4.17 0.69 0.24 1.61 1.81 -1.26 -5.05 118.95 112.82 3kjs s ARG 493 Ca 0.26 -1.23 -0.01 0.00 -1.72 0.00 0.00 55.73 53.03 3kjs s ARG 493 Cb -0.01 0.02 0.28 0.00 -0.45 0.00 0.00 34.95 34.78 3kjs s ARG 493 CO 0.16 -0.06 1.65 1.49 -0.68 0.00 0.00 175.30 177.86 3kjs h GLU 494 N 3.18 0.60 -5.28 3.54 4.81 -1.96 -3.43 114.58 116.04 3kjs h GLU 494 Ca -0.35 -0.25 -0.53 0.00 -0.13 0.00 0.00 59.36 58.11 3kjs h GLU 494 Cb 1.16 -0.02 -0.30 0.00 0.63 0.00 0.00 28.75 30.21 3kjs h GLU 494 CO 0.64 0.82 -0.82 -0.06 -0.73 0.00 0.00 179.01 178.85 3kjs s PHE 495 N -4.45 1.49 0.29 0.92 0.08 -1.26 -0.12 117.98 114.92 3kjs s PHE 495 Ca -0.08 -0.36 0.04 0.00 0.12 0.00 0.00 56.93 56.65 3kjs s PHE 495 Cb 0.13 -0.99 0.75 0.00 -0.57 0.00 0.00 43.02 42.34 3kjs s PHE 495 CO 0.81 -0.10 1.69 1.25 -0.10 0.00 0.00 175.22 178.77 3kjs h LEU 496 N 6.06 0.30 -0.34 -0.37 5.85 -1.51 0.19 115.31 125.49 3kjs h LEU 496 Ca -0.34 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.54 3kjs h LEU 496 Cb 1.17 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.35 3kjs h LEU 496 CO 0.48 -0.03 0.00 -0.62 -0.34 0.00 0.00 178.44 177.93 3kjs n GLU 497 N -5.07 0.07 0.00 1.25 4.71 -1.26 -2.78 120.64 117.55 3kjs n GLU 497 Ca 0.23 0.39 0.12 0.00 -0.01 0.00 0.00 57.16 57.88 3kjs n GLU 497 Cb 0.68 -1.65 0.13 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 -1.78 1.21 -4.77 1.62 8.00 0.05 -4.92 116.55 115.97 3kjs n ASP 498 Ca 0.02 -0.97 -0.41 0.00 0.71 0.00 0.00 54.79 54.14 3kjs n ASP 498 Cb 0.13 0.45 -0.01 0.00 -0.02 0.00 0.00 41.12 41.68 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 -2.71 2.71 0.28 1.24 2.02 -1.12 -5.01 117.35 114.76 3kjs s TYR 499 Ca 0.16 1.07 0.11 0.00 -0.37 0.00 0.00 57.07 58.05 3kjs s TYR 499 Cb 0.18 -3.99 -0.05 0.00 -0.40 0.00 0.00 41.96 37.70 3kjs s TYR 499 CO 0.65 -3.04 -0.14 -1.21 -1.57 0.00 0.00 175.55 170.24 3kjs s GLU 500 N -1.50 1.87 0.30 -0.62 2.02 -1.26 -5.01 118.70 114.51 3kjs s GLU 500 Ca 0.56 -1.66 -0.01 0.00 0.02 0.00 0.00 54.97 53.88 3kjs s GLU 500 Cb -0.46 -1.89 0.47 0.00 0.10 0.00 0.00 34.13 32.36 3kjs s GLU 500 CO 0.57 0.34 1.94 1.49 0.02 0.00 0.00 175.26 179.61 3kjs h GLU 501 N 2.15 0.96 0.00 1.61 4.22 -1.93 -1.59 114.58 120.00 3kjs h GLU 501 Ca -0.41 -0.09 0.00 0.00 0.08 0.00 0.00 59.36 58.93 3kjs h GLU 501 Cb 1.26 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3kjs h GLU 501 CO 0.60 0.69 0.00 0.41 -2.18 0.00 0.00 179.01 178.53 3kjs n GLY 502 N -1.26 -0.72 0.16 1.92 0.00 -1.26 -2.63 105.19 101.39 3kjs n GLY 502 Ca 0.07 -0.09 0.05 0.00 0.00 0.00 0.00 46.02 46.05 3kjs n GLY 502 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kjs h ASP 503 N 0.00 0.00 -2.94 1.61 3.32 -1.64 -3.46 116.42 113.31 3kjs h ASP 503 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 3kjs h ASP 503 Cb 0.10 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.48 3kjs h ASP 503 CO 0.00 0.35 -0.78 0.00 -1.72 0.00 0.00 179.24 177.09 3kjs s MET 504 N -3.04 1.50 -0.04 3.56 0.23 -1.08 -0.13 119.30 120.30 3kjs s MET 504 Ca 0.04 -1.59 -0.01 0.00 -1.03 0.00 0.00 55.69 53.11 3kjs s MET 504 Cb 0.07 -1.62 0.03 0.00 -1.53 0.00 0.00 34.83 31.78 3kjs s MET 504 CO 0.73 0.32 0.02 -2.00 -2.03 0.00 0.00 175.02 172.07 3kjs s GLU 505 N -3.09 0.21 -0.19 3.16 2.56 0.30 -4.89 118.70 116.77 3kjs s GLU 505 Ca 0.23 0.17 -0.27 0.00 0.00 0.00 0.00 54.97 55.10 3kjs s GLU 505 Cb -0.06 -0.54 -0.01 0.00 2.00 0.00 0.00 34.13 35.53 3kjs s GLU 505 CO 0.10 -0.22 0.93 0.08 -0.56 0.00 0.00 175.26 175.60 3kjs s VAL 506 N 1.47 4.79 0.13 3.70 1.01 -1.26 -1.73 120.40 128.51 3kjs s VAL 506 Ca -0.04 1.83 0.11 0.00 0.00 0.00 0.00 61.98 63.88 3kjs s VAL 506 Cb -0.13 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 31.99 3kjs s VAL 506 CO -0.03 -0.06 -0.26 0.27 0.00 0.00 0.00 175.10 175.02 3kjs s ILE 507 N 2.55 2.20 -1.17 2.22 -4.36 -0.02 -4.75 121.20 117.86 3kjs s ILE 507 Ca 0.42 -1.75 -0.07 0.00 -0.26 0.00 0.00 60.65 58.98 3kjs s ILE 507 Cb -0.16 -1.96 0.01 0.00 1.25 0.00 0.00 42.46 41.60 3kjs s ILE 507 CO 0.11 0.06 1.02 0.47 0.24 0.00 0.00 174.94 176.85 3kjs n ASP 508 N 0.90 -5.67 -4.51 4.36 8.00 -1.26 -1.27 116.55 117.10 3kjs n ASP 508 Ca -0.18 -0.47 -0.42 0.00 0.71 0.00 0.00 54.79 54.43 3kjs n ASP 508 Cb 0.53 -4.43 -0.09 0.00 -0.02 0.00 0.00 41.12 37.10 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 -3.28 3.20 -0.54 1.24 5.04 -1.26 -4.08 117.35 117.66 3kjs s TYR 509 Ca 0.49 -0.26 0.07 0.00 -2.44 0.00 0.00 57.07 54.93 3kjs s TYR 509 Cb -0.22 -2.73 0.29 0.00 0.35 0.00 0.00 41.96 39.65 3kjs s TYR 509 CO 0.63 -0.55 0.76 0.00 -1.34 0.00 0.00 175.55 175.05 3kjs n ALA 510 N 5.41 3.69 -1.42 3.97 0.00 -1.26 -5.08 120.51 125.82 3kjs n ALA 510 Ca -0.09 -4.34 -0.31 0.00 0.00 0.00 0.00 53.44 48.70 3kjs n ALA 510 Cb 0.48 -0.84 0.07 0.00 0.00 0.00 0.00 19.45 19.16 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 -2.51 2.58 0.84 0.00 0.04 -1.26 -4.96 135.00 129.72 3kjs s PRO 511 Ca 0.42 1.04 -0.11 0.00 0.04 0.00 0.00 61.00 62.39 3kjs s PRO 511 Cb 0.21 -1.94 0.10 0.00 0.04 0.00 0.00 34.50 32.91 3kjs s PRO 511 CO -0.07 -1.38 1.10 0.71 0.04 0.00 0.00 177.00 177.40 3kjs s TYR 512 N -2.98 2.25 1.00 0.56 1.51 0.07 -4.97 117.35 114.79 3kjs s TYR 512 Ca 0.60 1.56 -0.12 0.00 -1.01 0.00 0.00 57.07 58.10 3kjs s TYR 512 Cb -0.16 -3.14 0.19 0.00 -0.11 0.00 0.00 41.96 38.74 3kjs s TYR 512 CO 0.55 -2.21 1.08 -2.14 -1.11 0.00 0.00 175.55 171.72 3kjs s PRO 513 N -4.83 0.39 0.45 -1.71 0.02 -1.26 -4.48 135.00 123.58 3kjs s PRO 513 Ca 0.63 0.78 -0.21 0.00 0.02 0.00 0.00 61.00 62.21 3kjs s PRO 513 Cb -0.19 -1.71 -0.09 0.00 0.02 0.00 0.00 34.50 32.53 3kjs s PRO 513 CO 0.57 -2.83 1.01 -1.25 -0.33 0.00 0.00 177.00 174.18 3kjs s PRO 514 N -4.80 4.00 0.00 5.54 0.04 -1.26 -4.92 135.00 133.60 3kjs s PRO 514 Ca 0.66 1.32 0.00 0.00 0.04 0.00 0.00 61.00 63.01 3kjs s PRO 514 Cb -0.20 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.13 3kjs s PRO 514 CO 0.59 -0.26 0.00 1.51 0.04 0.00 0.00 177.00 178.89