#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kee s LYS 3 N 0.00 2.63 0.58 9.51 1.02 -1.26 -5.02 119.74 127.19 1kee s LYS 3 Ca 0.00 -2.08 -0.17 0.00 0.02 0.00 0.00 55.97 53.74 1kee s LYS 3 Cb 0.00 -3.92 -0.04 0.00 -0.52 0.00 0.00 37.83 33.34 1kee s LYS 3 CO 0.00 -1.19 1.06 -1.12 -0.92 0.00 0.00 175.35 173.18 1kee s SER 4 N 2.00 5.83 0.01 2.83 0.01 -1.24 -1.00 113.70 122.14 1kee s SER 4 Ca 0.11 1.87 -0.22 0.00 1.31 0.00 0.00 55.95 59.02 1kee s SER 4 Cb -0.22 -2.54 0.05 0.00 0.21 0.00 0.00 66.02 63.52 1kee s SER 4 CO -0.03 -1.13 0.50 0.00 0.41 0.00 0.00 173.24 172.98 1kee s ALA 5 N -2.31 -1.27 -0.11 1.44 0.00 -0.70 -1.73 121.76 117.08 1kee s ALA 5 Ca 0.65 0.68 -0.10 0.00 0.00 0.00 0.00 51.96 53.19 1kee s ALA 5 Cb -0.17 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.18 1kee s ALA 5 CO 0.33 -0.40 0.28 -1.17 0.00 0.00 0.00 175.76 174.80 1kee s LEU 6 N -1.62 0.92 -0.11 0.00 2.96 0.16 -0.66 118.68 120.33 1kee s LEU 6 Ca -0.09 0.57 0.02 0.00 -0.22 0.00 0.00 54.13 54.42 1kee s LEU 6 Cb -0.02 0.97 -0.01 0.00 0.50 0.00 0.00 46.19 47.64 1kee s LEU 6 CO 0.03 -0.10 -0.20 -0.22 -1.32 0.00 0.00 176.35 174.54 1kee s LEU 7 N 0.15 2.32 -0.05 -0.68 2.96 0.29 -0.92 118.68 122.76 1kee s LEU 7 Ca -0.00 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.46 1kee s LEU 7 Cb -0.02 -1.49 0.01 0.00 0.50 0.00 0.00 46.19 45.19 1kee s LEU 7 CO 0.00 0.16 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.37 1kee s VAL 8 N 0.36 1.18 0.34 1.68 1.01 -0.16 0.60 120.40 125.40 1kee s VAL 8 Ca -0.16 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.32 1kee s VAL 8 Cb -0.17 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.15 1kee s VAL 8 CO 0.07 0.36 0.50 -0.76 0.00 0.00 0.00 175.10 175.27 1kee s LEU 9 N 0.37 4.00 0.33 3.92 1.43 -0.11 -1.25 118.68 127.37 1kee s LEU 9 Ca -0.09 0.09 0.11 0.00 -1.03 0.00 0.00 54.13 53.21 1kee s LEU 9 Cb -0.13 -2.97 0.91 0.00 0.03 0.00 0.00 46.19 44.03 1kee s LEU 9 CO 0.03 -0.37 1.74 -0.33 0.23 0.00 0.00 176.35 177.64 1kee h GLU 10 N 0.83 0.55 0.00 1.70 5.08 -1.66 0.35 114.58 121.43 1kee h GLU 10 Ca -0.48 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1kee h GLU 10 Cb 1.24 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1kee h GLU 10 CO 0.57 0.36 0.00 -0.40 -1.00 0.00 0.00 179.01 178.55 1kee n ASP 11 N -4.84 0.00 0.00 1.42 3.85 -1.26 -4.87 116.55 110.85 1kee n ASP 11 Ca 0.27 0.17 0.00 0.00 -0.71 0.00 0.00 54.79 54.52 1kee n ASP 11 Cb 0.76 -0.34 0.00 0.00 -1.35 0.00 0.00 41.12 40.18 1kee n ASP 11 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1kee n GLY 12 N 0.09 0.77 3.72 6.12 0.00 0.12 -5.05 105.19 110.97 1kee n GLY 12 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1kee n GLY 12 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1kee n THR 13 N -2.00 0.03 -4.56 2.61 -1.04 -1.25 -4.68 114.28 103.39 1kee n THR 13 Ca 0.00 -0.01 -0.33 0.00 -2.04 0.00 0.00 64.05 61.67 1kee n THR 13 Cb 0.00 -1.98 -0.11 0.00 -1.82 0.00 0.00 70.33 66.42 1kee n THR 13 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1kee s GLN 14 N 1.12 2.70 -0.21 -2.82 -0.21 -1.26 -0.94 119.66 118.04 1kee s GLN 14 Ca 0.75 -0.59 0.00 0.00 0.02 0.00 0.00 55.36 55.54 1kee s GLN 14 Cb -0.51 -2.58 0.05 0.00 1.00 0.00 0.00 33.01 30.98 1kee s GLN 14 CO 0.33 0.65 -0.06 -0.06 -2.12 0.00 0.00 175.29 174.03 1kee s PHE 15 N -0.87 2.21 -0.23 0.91 0.08 0.20 -4.98 117.98 115.30 1kee s PHE 15 Ca 0.14 -1.56 -0.17 0.00 0.12 0.00 0.00 56.93 55.45 1kee s PHE 15 Cb -0.11 -1.52 -0.03 0.00 -0.57 0.00 0.00 43.02 40.79 1kee s PHE 15 CO 0.03 -0.73 0.48 -1.01 -0.10 0.00 0.00 175.22 173.89 1kee s HIS 16 N 1.46 3.33 0.00 0.36 3.76 -1.26 -0.55 115.29 122.39 1kee s HIS 16 Ca -0.04 0.67 0.00 0.00 -0.15 0.00 0.00 55.06 55.54 1kee s HIS 16 Cb -0.18 -2.65 0.00 0.00 1.11 0.00 0.00 32.58 30.86 1kee s HIS 16 CO -0.07 -0.15 0.00 0.41 -0.85 0.00 0.00 174.74 174.08 1kee n GLY 17 N 4.12 4.48 3.40 -2.22 0.00 0.17 -4.72 105.19 110.42 1kee n GLY 17 Ca -0.05 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 1kee n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1kee s ARG 18 N 1.89 2.72 0.01 1.61 3.52 -0.70 -1.72 118.95 126.28 1kee s ARG 18 Ca 0.00 -0.74 -0.30 0.00 -0.13 0.00 0.00 55.73 54.55 1kee s ARG 18 Cb 0.00 -2.39 -0.04 0.00 -1.56 0.00 0.00 34.95 30.96 1kee s ARG 18 CO 0.00 0.47 1.08 0.00 -0.81 0.00 0.00 175.30 176.04 1kee s ALA 19 N -0.34 3.29 0.00 6.12 0.00 -0.17 -0.37 121.76 130.29 1kee s ALA 19 Ca 0.03 0.65 0.00 0.00 0.00 0.00 0.00 51.96 52.64 1kee s ALA 19 Cb -0.13 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1kee s ALA 19 CO 0.02 -0.37 0.29 0.44 0.00 0.00 0.00 175.76 176.14 1kee n ILE 20 N 4.01 0.00 0.00 0.00 -5.35 -0.77 -4.92 119.36 112.33 1kee n ILE 20 Ca 0.08 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.10 1kee n ILE 20 Cb 0.49 1.05 0.00 0.00 -1.74 0.00 0.00 39.64 39.44 1kee n ILE 20 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1kee n GLY 21 N 0.34 5.18 3.77 3.28 0.00 -1.24 -4.55 105.19 111.97 1kee n GLY 21 Ca 0.00 -1.37 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 1kee n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kee s ALA 22 N -2.00 2.39 0.36 4.61 0.00 0.54 -4.75 121.76 122.90 1kee s ALA 22 Ca 0.00 0.50 -0.15 0.00 0.00 0.00 0.00 51.96 52.31 1kee s ALA 22 Cb 0.00 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.71 1kee s ALA 22 CO 0.00 -1.44 0.79 0.99 0.00 0.00 0.00 175.76 176.09 1kee s THR 23 N -2.45 4.64 -3.57 0.00 2.01 -1.26 -4.47 115.64 110.54 1kee s THR 23 Ca 0.66 1.01 0.00 0.00 0.31 0.00 0.00 61.69 63.67 1kee s THR 23 Cb -0.20 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.68 1kee s THR 23 CO 0.45 -0.28 0.00 0.61 -0.69 0.00 0.00 174.62 174.72 1kee n GLY 24 N -0.59 0.71 3.12 4.40 0.00 0.07 -4.95 105.19 107.95 1kee n GLY 24 Ca 0.04 -1.84 -0.12 0.00 0.00 0.00 0.00 46.02 44.09 1kee n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kee s SER 25 N -4.00 1.03 -0.02 1.61 1.04 -1.26 -0.07 113.70 112.04 1kee s SER 25 Ca 0.00 -0.76 -0.02 0.00 0.48 0.00 0.00 55.95 55.65 1kee s SER 25 Cb 0.00 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.18 1kee s SER 25 CO 0.00 -0.31 0.06 0.00 0.98 0.00 0.00 173.24 173.97 1kee s ALA 26 N -2.37 -0.15 -0.02 5.32 0.00 0.52 -4.91 121.76 120.15 1kee s ALA 26 Ca 0.00 0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.05 1kee s ALA 26 Cb -0.03 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.03 1kee s ALA 26 CO -0.02 -0.06 -0.02 0.08 0.00 0.00 0.00 175.76 175.74 1kee s VAL 27 N -0.25 0.28 -1.44 0.00 1.01 -1.26 -0.64 120.40 118.09 1kee s VAL 27 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1kee s VAL 27 Cb -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 36.06 1kee s VAL 27 CO 0.00 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.83 1kee n GLY 28 N 3.54 -1.49 3.76 4.51 0.00 -0.74 -4.79 105.19 109.97 1kee n GLY 28 Ca -0.20 -1.03 -0.40 0.00 0.00 0.00 0.00 46.02 44.39 1kee n GLY 28 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1kee s GLU 29 N -1.45 4.66 -0.08 1.61 2.12 -0.61 -0.22 118.70 124.73 1kee s GLU 29 Ca 0.00 1.77 -0.13 0.00 0.36 0.00 0.00 54.97 56.97 1kee s GLU 29 Cb 0.00 -3.19 -0.05 0.00 0.26 0.00 0.00 34.13 31.15 1kee s GLU 29 CO 0.00 0.24 0.31 0.08 -0.54 0.00 0.00 175.26 175.35 1kee s VAL 30 N -1.17 5.23 0.09 3.70 1.01 0.13 0.34 120.40 129.73 1kee s VAL 30 Ca 0.44 0.60 0.01 0.00 0.00 0.00 0.00 61.98 63.03 1kee s VAL 30 Cb -0.31 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1kee s VAL 30 CO 0.40 0.53 -0.05 0.68 0.00 0.00 0.00 175.10 176.65 1kee s VAL 31 N -0.58 0.60 -0.04 2.92 -7.23 -0.42 -4.20 120.40 111.45 1kee s VAL 31 Ca 0.19 -1.92 0.05 0.00 -1.81 0.00 0.00 61.98 58.50 1kee s VAL 31 Cb -0.14 -1.68 -0.03 0.00 0.56 0.00 0.00 36.38 35.09 1kee s VAL 31 CO 0.08 -0.87 -0.17 0.72 -0.31 0.00 0.00 175.10 174.55 1kee s PHE 32 N -3.69 2.63 -0.10 2.82 -0.12 -1.26 -0.75 117.98 117.51 1kee s PHE 32 Ca 0.12 -0.21 0.00 0.00 -0.05 0.00 0.00 56.93 56.79 1kee s PHE 32 Cb 0.06 -1.60 0.02 0.00 -0.63 0.00 0.00 43.02 40.87 1kee s PHE 32 CO -0.05 0.15 -0.09 1.21 -0.05 0.00 0.00 175.22 176.39 1kee s ASN 33 N -0.76 2.12 0.00 1.98 3.84 0.61 -4.48 114.94 118.25 1kee s ASN 33 Ca 0.11 -0.32 0.19 0.00 0.21 0.00 0.00 52.86 53.06 1kee s ASN 33 Cb -0.10 -0.87 1.12 0.00 -0.55 0.00 0.00 41.25 40.85 1kee s ASN 33 CO 0.01 -0.08 1.72 0.35 -2.79 0.00 0.00 177.10 176.31 1kee n THR 34 N 4.66 0.00 -1.78 -5.21 -2.24 -0.96 -1.71 114.28 107.04 1kee n THR 34 Ca -0.15 -0.01 -0.43 0.00 -2.27 0.00 0.00 64.05 61.19 1kee n THR 34 Cb 0.50 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.43 1kee n THR 34 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1kee s SER 35 N -1.59 5.77 0.14 3.42 0.01 -1.26 -4.75 113.70 115.44 1kee s SER 35 Ca 0.29 1.78 0.24 0.00 1.31 0.00 0.00 55.95 59.57 1kee s SER 35 Cb 0.13 -2.52 0.93 0.00 0.21 0.00 0.00 66.02 64.77 1kee s SER 35 CO 0.22 -1.72 1.75 0.23 0.41 0.00 0.00 173.24 174.13 1kee n MET 36 N 8.43 0.14 -4.10 12.44 2.81 -1.26 -4.61 117.12 130.97 1kee n MET 36 Ca 0.26 0.22 -0.09 0.00 -1.81 0.00 0.00 57.70 56.27 1kee n MET 36 Cb 0.45 -1.70 -0.09 0.00 -0.71 0.00 0.00 33.22 31.16 1kee n MET 36 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1kee s THR 37 N -3.12 0.10 0.00 2.03 -4.23 -1.26 -4.93 115.64 104.24 1kee s THR 37 Ca 0.09 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 1kee s THR 37 Cb 0.13 -1.96 0.00 0.00 1.34 0.00 0.00 72.50 72.01 1kee s THR 37 CO 0.48 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1kee n GLY 38 N -0.10 0.78 0.20 3.99 0.00 -1.26 -4.86 105.19 103.95 1kee n GLY 38 Ca -0.07 -0.56 -0.02 0.00 0.00 0.00 0.00 46.02 45.37 1kee n GLY 38 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1kee h TYR 39 N 0.00 0.24 -0.97 1.61 -0.00 -1.92 -1.00 116.97 114.94 1kee h TYR 39 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 58.73 58.78 1kee h TYR 39 Cb 0.14 -0.03 -0.05 0.00 0.00 0.00 0.00 36.73 36.78 1kee h TYR 39 CO 0.00 0.05 0.64 0.37 -0.00 0.00 0.00 178.16 179.21 1kee h GLN 40 N 0.30 1.23 -0.43 0.10 4.15 -1.91 0.22 115.11 118.77 1kee h GLN 40 Ca 0.25 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.53 1kee h GLN 40 Cb 0.31 -0.28 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 1kee h GLN 40 CO -0.29 0.82 -0.00 0.93 -1.93 0.00 0.00 178.83 178.36 1kee h GLU 41 N 1.27 0.70 0.10 1.69 3.07 -1.42 -1.84 114.58 118.15 1kee h GLU 41 Ca 0.37 -0.18 -0.00 0.00 -0.50 0.00 0.00 59.36 59.05 1kee h GLU 41 Cb -0.08 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 27.74 1kee h GLU 41 CO -0.10 0.72 -0.05 0.82 -1.40 0.00 0.00 179.01 179.01 1kee h ILE 42 N 0.66 1.09 -0.25 3.13 2.04 0.17 -2.89 117.51 121.46 1kee h ILE 42 Ca 0.13 -0.74 0.02 0.00 1.00 0.00 0.00 64.86 65.28 1kee h ILE 42 Cb 0.41 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 1kee h ILE 42 CO 0.02 0.18 0.17 -0.07 0.00 0.00 0.00 178.15 178.44 1kee h LEU 43 N -0.47 0.21 -1.45 1.44 3.38 -0.28 -1.65 115.31 116.50 1kee h LEU 43 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1kee h LEU 43 Cb 0.39 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1kee h LEU 43 CO 0.02 0.15 0.00 0.35 0.09 0.00 0.00 178.44 179.05 1kee n THR 44 N -4.50 0.46 -2.71 0.22 -2.24 -0.72 -1.82 114.28 102.97 1kee n THR 44 Ca 0.01 -0.51 -0.43 0.00 -2.27 0.00 0.00 64.05 60.86 1kee n THR 44 Cb 0.14 0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.67 1kee n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1kee s ASP 45 N -1.16 7.11 0.51 3.42 3.68 -0.62 -3.41 116.67 126.19 1kee s ASP 45 Ca 0.29 1.38 0.33 0.00 2.13 0.00 0.00 52.55 56.69 1kee s ASP 45 Cb 0.15 -2.53 1.53 0.00 -1.45 0.00 0.00 42.92 40.62 1kee s ASP 45 CO 0.21 -0.56 2.00 -0.65 0.13 0.00 0.00 175.17 176.30 1kee h PRO 46 N 7.34 0.00 0.00 4.34 0.11 -1.88 -2.18 132.00 139.73 1kee h PRO 46 Ca -0.24 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.86 1kee h PRO 46 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1kee h PRO 46 CO 0.92 0.00 -0.03 0.77 -0.21 0.00 0.00 178.00 179.45 1kee h SER 47 N 0.00 0.00 -0.28 -2.05 0.02 -1.84 -1.84 113.55 107.56 1kee h SER 47 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1kee h SER 47 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1kee h SER 47 CO 0.00 0.03 0.00 -1.22 -1.14 0.00 0.00 176.83 174.50 1kee n TYR 48 N -3.22 0.52 -2.02 3.45 4.01 -0.82 -4.17 117.16 114.91 1kee n TYR 48 Ca -0.01 -0.22 -0.42 0.00 -0.16 0.00 0.00 57.90 57.09 1kee n TYR 48 Cb 0.20 -0.08 -0.03 0.00 -0.31 0.00 0.00 39.34 39.13 1kee n TYR 48 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1kee s SER 49 N -0.80 6.68 -0.10 7.72 0.15 -0.69 -2.08 113.70 124.57 1kee s SER 49 Ca 0.20 2.54 0.00 0.00 0.70 0.00 0.00 55.95 59.39 1kee s SER 49 Cb 0.12 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 1kee s SER 49 CO 0.11 -0.74 0.00 0.54 1.20 0.00 0.00 173.24 174.35 1kee n ARG 50 N 3.57 -0.24 -5.07 5.44 5.12 -1.25 -4.71 116.66 119.52 1kee n ARG 50 Ca 0.11 0.25 -0.31 0.00 -1.93 0.00 0.00 57.85 55.98 1kee n ARG 50 Cb 0.40 -3.60 -0.15 0.00 -1.16 0.00 0.00 32.46 27.95 1kee n ARG 50 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1kee s GLN 51 N -0.96 2.09 -0.27 5.56 -0.21 -0.88 -1.58 119.66 123.41 1kee s GLN 51 Ca 0.00 -0.94 -0.12 0.00 0.02 0.00 0.00 55.36 54.31 1kee s GLN 51 Cb 0.00 -2.09 -0.05 0.00 1.00 0.00 0.00 33.01 31.87 1kee s GLN 51 CO 0.00 0.56 0.25 0.42 -2.12 0.00 0.00 175.29 174.40 1kee s ILE 52 N -0.71 5.26 -0.22 1.08 1.01 0.15 -0.17 121.20 127.61 1kee s ILE 52 Ca 0.11 0.31 -0.10 0.00 0.00 0.00 0.00 60.65 60.98 1kee s ILE 52 Cb -0.10 -3.59 -0.05 0.00 0.01 0.00 0.00 42.46 38.73 1kee s ILE 52 CO 0.01 0.22 0.13 -0.69 0.00 0.00 0.00 174.94 174.61 1kee s VAL 53 N 1.85 5.24 -0.10 2.92 1.01 -0.16 -1.30 120.40 129.86 1kee s VAL 53 Ca 0.10 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.20 1kee s VAL 53 Cb -0.16 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 1kee s VAL 53 CO 0.10 0.40 -0.06 -0.89 0.00 0.00 0.00 175.10 174.65 1kee s THR 54 N 0.72 3.74 -0.09 3.92 2.01 0.07 0.49 115.64 126.49 1kee s THR 54 Ca 0.07 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.63 1kee s THR 54 Cb -0.12 -2.57 -0.03 0.00 0.01 0.00 0.00 72.50 69.79 1kee s THR 54 CO 0.01 0.56 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.65 1kee s LEU 55 N -0.35 3.00 0.16 4.42 1.43 -0.47 -0.29 118.68 126.58 1kee s LEU 55 Ca 0.05 -0.14 -0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1kee s LEU 55 Cb -0.12 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.45 1kee s LEU 55 CO 0.02 0.28 1.39 0.71 0.23 0.00 0.00 176.35 178.99 1kee h THR 56 N 4.67 1.43 -2.80 5.49 1.35 -1.65 -3.42 112.91 117.97 1kee h THR 56 Ca -0.40 -2.38 -0.54 0.00 -0.55 0.00 0.00 66.41 62.54 1kee h THR 56 Cb 1.18 2.31 -0.00 0.00 -1.73 0.00 0.00 68.15 69.91 1kee h THR 56 CO 0.54 0.70 0.93 -0.47 -0.25 0.00 0.00 175.52 176.97 1kee s TYR 57 N -3.39 2.58 0.21 4.73 5.04 -1.26 -4.92 117.35 120.34 1kee s TYR 57 Ca -0.05 0.60 -0.09 0.00 -2.44 0.00 0.00 57.07 55.09 1kee s TYR 57 Cb 0.10 -3.76 0.30 0.00 0.35 0.00 0.00 41.96 38.95 1kee s TYR 57 CO 0.84 -2.97 1.72 -1.00 -1.34 0.00 0.00 175.55 172.80 1kee h PRO 58 N 8.32 0.33 -4.81 4.97 0.13 -1.94 -3.40 132.00 135.60 1kee h PRO 58 Ca -0.38 -0.02 -0.70 0.00 -0.87 0.00 0.00 66.00 64.03 1kee h PRO 58 Cb 1.18 -0.07 -0.19 0.00 0.13 0.00 0.00 31.00 32.04 1kee h PRO 58 CO 0.92 0.22 0.02 -1.01 -0.23 0.00 0.00 178.00 177.92 1kee s HIS 59 N -6.09 3.06 -0.23 1.56 3.76 -1.26 0.09 115.29 116.19 1kee s HIS 59 Ca -0.13 -0.70 -0.03 0.00 -0.15 0.00 0.00 55.06 54.05 1kee s HIS 59 Cb 0.18 -3.62 -0.00 0.00 1.11 0.00 0.00 32.58 30.24 1kee s HIS 59 CO 0.74 -1.07 -0.05 0.42 -0.85 0.00 0.00 174.74 173.94 1kee s ILE 60 N 2.52 3.27 0.00 0.60 -1.09 -0.34 -4.50 121.20 121.67 1kee s ILE 60 Ca 0.13 -0.60 0.00 0.00 -2.23 0.00 0.00 60.65 57.95 1kee s ILE 60 Cb -0.21 -2.52 0.00 0.00 -1.58 0.00 0.00 42.46 38.15 1kee s ILE 60 CO 0.10 0.38 0.00 0.61 -1.23 0.00 0.00 174.94 174.80 1kee n GLY 61 N 4.78 1.54 0.35 6.18 0.00 -1.26 -4.10 105.19 112.68 1kee n GLY 61 Ca -0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.92 1kee n GLY 61 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1kee h ASN 62 N 0.00 0.61 -0.37 1.61 2.35 -1.85 -2.47 115.58 115.46 1kee h ASN 62 Ca 0.00 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 1kee h ASN 62 Cb 0.00 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 1kee h ASN 62 CO 0.00 0.39 0.03 1.33 -1.65 0.00 0.00 177.43 177.52 1kee n VAL 63 N -4.48 2.47 -4.68 2.81 0.24 -1.26 0.25 118.33 113.67 1kee n VAL 63 Ca 0.11 -1.88 0.00 0.00 -2.04 0.00 0.00 64.34 60.52 1kee n VAL 63 Cb 0.26 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.35 1kee n VAL 63 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1kee n GLY 64 N -0.38 2.60 3.33 7.63 0.00 -0.93 -4.25 105.19 113.19 1kee n GLY 64 Ca 0.26 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 1kee n GLY 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kee s THR 65 N 0.00 0.07 -0.11 2.61 -4.23 -0.31 -4.72 115.64 108.94 1kee s THR 65 Ca 0.00 -1.33 -0.30 0.00 -1.18 0.00 0.00 61.69 58.89 1kee s THR 65 Cb 0.00 -1.77 0.08 0.00 1.34 0.00 0.00 72.50 72.15 1kee s THR 65 CO 0.00 -0.32 0.75 0.54 -0.54 0.00 0.00 174.62 175.05 1kee s ASN 66 N -2.95 -0.62 0.19 3.99 2.20 -1.26 0.73 114.94 117.22 1kee s ASN 66 Ca 0.15 0.79 -0.14 0.00 -0.94 0.00 0.00 52.86 52.72 1kee s ASN 66 Cb 0.03 0.66 0.19 0.00 -2.00 0.00 0.00 41.25 40.14 1kee s ASN 66 CO -0.01 -0.49 1.66 0.44 -2.94 0.00 0.00 177.10 175.76 1kee h ASP 67 N 3.29 -0.33 -0.63 3.54 3.45 -1.98 -0.24 116.42 123.52 1kee h ASP 67 Ca -0.26 0.14 0.18 0.00 0.43 0.00 0.00 57.03 57.52 1kee h ASP 67 Cb 1.15 0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 40.16 1kee h ASP 67 CO 0.31 -0.12 0.64 0.00 -1.57 0.00 0.00 179.24 178.50 1kee h ALA 68 N 1.49 2.41 -0.41 3.45 0.00 -1.98 0.22 119.26 124.45 1kee h ALA 68 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1kee h ALA 68 Cb 0.40 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1kee h ALA 68 CO -0.48 -0.97 0.00 -0.25 0.00 0.00 0.00 179.25 177.55 1kee n ASP 69 N -3.69 3.11 -4.66 0.00 10.43 -0.10 -4.87 116.55 116.76 1kee n ASP 69 Ca 0.13 -2.26 -0.37 0.00 2.57 0.00 0.00 54.79 54.86 1kee n ASP 69 Cb 0.87 -0.45 -0.09 0.00 1.84 0.00 0.00 41.12 43.30 1kee n ASP 69 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1kee s GLU 70 N -1.71 4.10 0.00 -1.24 2.02 0.77 -3.16 118.70 119.49 1kee s GLU 70 Ca 0.32 -0.11 0.27 0.00 0.02 0.00 0.00 54.97 55.48 1kee s GLU 70 Cb 0.20 -3.54 0.94 0.00 0.10 0.00 0.00 34.13 31.83 1kee s GLU 70 CO 0.16 0.02 1.68 0.39 0.02 0.00 0.00 175.26 177.53 1kee n GLU 71 N 4.36 1.74 -3.83 1.61 -0.58 -1.26 -4.89 120.64 117.80 1kee n GLU 71 Ca -0.13 -1.08 -0.04 0.00 -0.42 0.00 0.00 57.16 55.49 1kee n GLU 71 Cb 0.52 -1.48 0.01 0.00 -0.57 0.00 0.00 31.44 29.92 1kee n GLU 71 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1kee s SER 72 N -2.01 -0.06 0.26 1.62 1.04 -1.22 -1.09 113.70 112.24 1kee s SER 72 Ca 0.37 -0.65 -0.02 0.00 0.48 0.00 0.00 55.95 56.13 1kee s SER 72 Cb 0.21 0.55 0.47 0.00 0.10 0.00 0.00 66.02 67.35 1kee s SER 72 CO 0.33 -1.07 1.81 0.28 0.98 0.00 0.00 173.24 175.57 1kee h SER 73 N 2.00 0.71 -3.59 7.02 0.02 -1.91 -3.46 113.55 114.34 1kee h SER 73 Ca -0.27 0.06 -0.26 0.00 -0.84 0.00 0.00 61.79 60.48 1kee h SER 73 Cb 1.23 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 63.63 1kee h SER 73 CO 0.33 0.38 -0.23 0.00 -1.14 0.00 0.00 176.83 176.17 1kee n GLN 74 N -4.74 0.64 -3.02 3.45 10.64 -1.26 -5.11 117.38 117.98 1kee n GLN 74 Ca 0.16 -1.67 -0.41 0.00 -1.83 0.00 0.00 57.00 53.24 1kee n GLN 74 Cb 0.33 1.01 -0.06 0.00 -0.86 0.00 0.00 30.24 30.66 1kee n GLN 74 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1kee s VAL 75 N -2.37 4.88 -0.05 -0.39 1.01 -1.26 -4.43 120.40 117.78 1kee s VAL 75 Ca 0.12 1.14 0.22 0.00 0.00 0.00 0.00 61.98 63.46 1kee s VAL 75 Cb 0.01 -4.05 -0.30 0.00 0.00 0.00 0.00 36.38 32.03 1kee s VAL 75 CO 0.09 -0.13 0.54 1.41 0.00 0.00 0.00 175.10 177.01 1kee n HIS 76 N 5.97 0.11 -1.71 5.22 -0.00 -0.76 -4.92 115.22 119.13 1kee n HIS 76 Ca 0.02 0.03 -0.43 0.00 -0.00 0.00 0.00 57.72 57.34 1kee n HIS 76 Cb 0.48 -0.55 -0.03 0.00 -0.00 0.00 0.00 29.99 29.89 1kee n HIS 76 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1kee n ALA 77 N -2.25 2.14 0.10 -1.41 0.00 -1.13 -3.62 120.51 114.33 1kee n ALA 77 Ca -0.04 0.40 -0.03 0.00 0.00 0.00 0.00 53.44 53.77 1kee n ALA 77 Cb 0.57 -2.42 0.17 0.00 0.00 0.00 0.00 19.45 17.77 1kee n ALA 77 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1kee h GLN 78 N 5.32 0.19 -2.86 0.00 5.75 -0.63 -3.47 115.11 119.40 1kee h GLN 78 Ca -0.45 -0.11 0.06 0.00 -0.15 0.00 0.00 58.65 57.99 1kee h GLN 78 Cb 1.23 0.01 -0.08 0.00 1.07 0.00 0.00 27.48 29.71 1kee h GLN 78 CO 0.84 0.68 0.28 0.20 -2.65 0.00 0.00 178.83 178.18 1kee s GLY 79 N -4.32 -0.30 -0.02 2.39 0.00 -1.17 -4.47 107.32 99.43 1kee s GLY 79 Ca -0.04 0.10 0.02 0.00 0.00 0.00 0.00 44.72 44.81 1kee s GLY 79 CO 0.78 0.03 -0.08 -2.27 0.00 0.00 0.00 173.10 171.56 1kee s LEU 80 N -2.84 1.83 -0.13 0.66 2.96 -1.06 -0.99 118.68 119.11 1kee s LEU 80 Ca 0.08 -0.17 0.00 0.00 -0.22 0.00 0.00 54.13 53.82 1kee s LEU 80 Cb -0.03 -0.50 0.02 0.00 0.50 0.00 0.00 46.19 46.17 1kee s LEU 80 CO -0.01 0.07 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.28 1kee s VAL 81 N 0.11 1.33 0.11 1.68 1.01 0.18 -0.77 120.40 124.06 1kee s VAL 81 Ca -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.48 1kee s VAL 81 Cb -0.07 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 1kee s VAL 81 CO 0.00 0.42 -0.01 0.27 0.00 0.00 0.00 175.10 175.78 1kee s ILE 82 N 1.54 0.38 -0.11 2.22 -4.36 -0.84 -1.37 121.20 118.66 1kee s ILE 82 Ca 0.04 -1.90 -0.23 0.00 -0.26 0.00 0.00 60.65 58.30 1kee s ILE 82 Cb -0.13 -1.82 -0.27 0.00 1.25 0.00 0.00 42.46 41.48 1kee s ILE 82 CO -0.09 -0.72 0.71 -0.09 0.24 0.00 0.00 174.94 174.99 1kee h ARG 83 N 2.94 0.16 -3.37 0.37 9.65 -1.75 -2.60 114.38 119.78 1kee h ARG 83 Ca -0.35 -0.28 -0.23 0.00 -1.10 0.00 0.00 59.98 58.02 1kee h ARG 83 Cb 1.17 0.10 -0.30 0.00 -1.39 0.00 0.00 29.97 29.56 1kee h ARG 83 CO 0.63 1.13 -0.60 0.34 2.80 0.00 0.00 179.97 184.27 1kee s ASP 84 N -6.75 -0.10 -0.37 -3.80 2.15 0.11 -0.58 116.67 107.34 1kee s ASP 84 Ca -0.18 0.24 -0.13 0.00 0.43 0.00 0.00 52.55 52.91 1kee s ASP 84 Cb 0.01 0.18 0.01 0.00 -0.30 0.00 0.00 42.92 42.82 1kee s ASP 84 CO 0.75 -0.10 0.25 -0.22 -0.17 0.00 0.00 175.17 175.68 1kee s LEU 85 N 0.65 4.75 0.60 -1.34 2.96 -1.26 -1.19 118.68 123.84 1kee s LEU 85 Ca -0.05 -0.71 -0.20 0.00 -0.22 0.00 0.00 54.13 52.95 1kee s LEU 85 Cb -0.07 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 1kee s LEU 85 CO -0.03 -0.34 1.30 -2.16 -1.32 0.00 0.00 176.35 173.80 1kee s PRO 86 N 1.67 2.87 0.37 0.98 0.04 -1.26 -4.91 135.00 134.75 1kee s PRO 86 Ca 0.05 2.07 0.12 0.00 0.04 0.00 0.00 61.00 63.28 1kee s PRO 86 Cb -0.18 -2.02 0.93 0.00 0.04 0.00 0.00 34.50 33.26 1kee s PRO 86 CO 0.09 -1.35 1.82 -0.07 0.04 0.00 0.00 177.00 177.53 1kee h LEU 87 N 0.97 0.58 -8.08 -3.56 4.07 -1.97 -3.44 115.31 103.89 1kee h LEU 87 Ca -0.51 0.06 -0.11 0.00 0.08 0.00 0.00 57.88 57.40 1kee h LEU 87 Cb 1.31 -0.04 -0.13 0.00 1.08 0.00 0.00 40.66 42.88 1kee h LEU 87 CO 0.55 0.22 -0.39 0.27 -1.08 0.00 0.00 178.44 178.02 1kee s ILE 88 N -5.62 0.09 0.04 1.22 -4.36 -1.26 -5.15 121.20 106.17 1kee s ILE 88 Ca -0.10 -1.43 -0.08 0.00 -0.26 0.00 0.00 60.65 58.79 1kee s ILE 88 Cb 0.24 -1.75 -0.05 0.00 1.25 0.00 0.00 42.46 42.14 1kee s ILE 88 CO 0.79 -0.42 0.32 0.00 0.24 0.00 0.00 174.94 175.88 1kee s ALA 89 N -3.95 3.80 -0.43 2.27 0.00 -1.26 -4.73 121.76 117.45 1kee s ALA 89 Ca 0.15 -0.50 0.04 0.00 0.00 0.00 0.00 51.96 51.65 1kee s ALA 89 Cb 0.04 -2.14 0.17 0.00 0.00 0.00 0.00 23.12 21.19 1kee s ALA 89 CO -0.02 0.62 0.42 0.45 0.00 0.00 0.00 175.76 177.22 1kee s SER 90 N -1.77 0.85 -0.26 0.00 0.15 0.14 -4.89 113.70 107.92 1kee s SER 90 Ca 0.30 -2.68 -0.25 0.00 0.70 0.00 0.00 55.95 54.02 1kee s SER 90 Cb -0.13 0.11 0.07 0.00 -1.71 0.00 0.00 66.02 64.36 1kee s SER 90 CO 0.17 -0.16 0.72 0.21 1.20 0.00 0.00 173.24 175.39 1kee s ASN 91 N 0.34 -0.74 0.42 5.45 3.84 -1.26 -4.75 114.94 118.24 1kee s ASN 91 Ca 0.31 1.40 0.13 0.00 0.21 0.00 0.00 52.86 54.91 1kee s ASN 91 Cb 0.01 1.41 0.98 0.00 -0.55 0.00 0.00 41.25 43.10 1kee s ASN 91 CO -0.15 -0.27 1.96 2.19 -2.79 0.00 0.00 177.10 178.03 1kee h PHE 92 N 4.87 0.51 0.00 0.43 -5.15 -1.98 -1.91 116.94 113.71 1kee h PHE 92 Ca -0.29 0.01 0.00 0.00 -0.20 0.00 0.00 57.97 57.50 1kee h PHE 92 Cb 1.16 -0.16 0.00 0.00 0.22 0.00 0.00 35.95 37.16 1kee h PHE 92 CO 0.39 0.23 0.00 0.54 -2.00 0.00 0.00 178.31 177.47 1kee n ARG 93 N -4.48 0.13 -2.09 6.09 1.74 -1.26 -4.89 116.66 111.90 1kee n ARG 93 Ca 0.11 0.16 -0.41 0.00 -0.77 0.00 0.00 57.85 56.95 1kee n ARG 93 Cb 0.39 -1.67 -0.02 0.00 -1.02 0.00 0.00 32.46 30.14 1kee n ARG 93 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1kee s ASN 94 N -3.78 6.74 0.00 0.55 2.47 -0.72 -4.59 114.94 115.62 1kee s ASN 94 Ca 0.11 2.68 0.00 0.00 0.42 0.00 0.00 52.86 56.07 1kee s ASN 94 Cb 0.14 -2.64 0.00 0.00 -1.45 0.00 0.00 41.25 37.30 1kee s ASN 94 CO 0.52 -0.58 0.00 0.35 -3.72 0.00 0.00 177.10 173.67 1kee n THR 95 N 1.24 0.00 -3.64 -5.21 -2.24 0.22 -4.91 114.28 99.74 1kee n THR 95 Ca 0.02 -0.18 -0.06 0.00 -2.27 0.00 0.00 64.05 61.56 1kee n THR 95 Cb 0.41 0.67 -0.07 0.00 -2.10 0.00 0.00 70.33 69.25 1kee n THR 95 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1kee s GLU 96 N -1.59 0.66 0.71 -0.78 2.12 -1.15 -4.99 118.70 113.69 1kee s GLU 96 Ca 0.00 1.19 -0.16 0.00 0.36 0.00 0.00 54.97 56.36 1kee s GLU 96 Cb 0.00 0.20 0.03 0.00 0.26 0.00 0.00 34.13 34.62 1kee s GLU 96 CO 0.00 -0.15 1.26 0.16 -0.54 0.00 0.00 175.26 175.99 1kee s ASP 97 N 1.73 4.18 0.14 -1.70 1.47 -1.26 -1.16 116.67 120.07 1kee s ASP 97 Ca -0.09 2.53 -0.23 0.00 1.18 0.00 0.00 52.55 55.94 1kee s ASP 97 Cb -0.05 -2.61 0.01 0.00 -0.34 0.00 0.00 42.92 39.92 1kee s ASP 97 CO -0.19 -2.29 1.63 0.25 0.68 0.00 0.00 175.17 175.25 1kee h LEU 98 N -0.04 -0.74 -0.24 2.11 5.85 -1.84 -1.02 115.31 119.38 1kee h LEU 98 Ca -0.49 0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.42 1kee h LEU 98 Cb 1.32 0.34 -0.06 0.00 0.37 0.00 0.00 40.66 42.63 1kee h LEU 98 CO 0.50 -0.28 -0.19 -1.28 -0.34 0.00 0.00 178.44 176.86 1kee h SER 99 N -0.27 -0.61 -0.33 1.25 0.87 -1.92 0.13 113.55 112.68 1kee h SER 99 Ca 0.12 0.12 0.05 0.00 -1.23 0.00 0.00 61.79 60.84 1kee h SER 99 Cb 0.45 0.30 -0.04 0.00 -0.44 0.00 0.00 62.40 62.67 1kee h SER 99 CO -0.34 -0.23 0.07 0.28 -0.53 0.00 0.00 176.83 176.09 1kee h SER 100 N -0.18 0.03 -0.82 6.23 0.02 -1.79 0.23 113.55 117.27 1kee h SER 100 Ca 0.14 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 61.16 1kee h SER 100 Cb 0.39 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.95 1kee h SER 100 CO -0.35 0.05 0.54 0.22 -1.14 0.00 0.00 176.83 176.15 1kee h TYR 101 N 0.19 0.99 0.32 3.45 3.20 -0.49 0.32 116.97 124.95 1kee h TYR 101 Ca 0.15 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 1kee h TYR 101 Cb 0.16 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.10 1kee h TYR 101 CO -0.17 0.59 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.72 1kee h LEU 102 N 1.04 -0.36 -1.41 2.82 3.38 0.56 -1.56 115.31 119.78 1kee h LEU 102 Ca 0.32 -0.15 0.13 0.00 0.09 0.00 0.00 57.88 58.28 1kee h LEU 102 Cb -0.01 0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 1kee h LEU 102 CO -0.09 -0.04 0.53 0.11 0.09 0.00 0.00 178.44 179.05 1kee h LYS 103 N -0.71 0.57 -0.68 1.13 1.57 -0.35 -0.94 116.57 117.17 1kee h LYS 103 Ca -0.04 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 1kee h LYS 103 Cb 0.49 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 1kee h LYS 103 CO 0.07 0.38 0.20 -0.09 -0.57 0.00 0.00 179.45 179.44 1kee h ARG 104 N 0.59 1.05 -0.19 3.15 2.43 0.17 -2.22 114.38 119.36 1kee h ARG 104 Ca 0.40 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1kee h ARG 104 Cb 0.71 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1kee h ARG 104 CO -0.16 0.90 0.00 0.72 -1.51 0.00 0.00 179.97 179.93 1kee n HIS 105 N -4.26 0.25 -3.45 2.20 8.25 -0.64 -4.94 115.22 112.63 1kee n HIS 105 Ca 0.05 -0.12 -0.18 0.00 -0.26 0.00 0.00 57.72 57.21 1kee n HIS 105 Cb 0.23 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.41 1kee n HIS 105 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1kee n ASN 106 N 0.51 -3.36 -4.76 0.41 4.05 -0.48 -4.95 115.26 106.69 1kee n ASN 106 Ca 0.17 -0.71 -0.35 0.00 0.45 0.00 0.00 54.58 54.13 1kee n ASN 106 Cb 0.38 -4.84 -0.08 0.00 1.23 0.00 0.00 39.78 36.46 1kee n ASN 106 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1kee s ILE 107 N -3.44 4.75 -0.09 -1.44 -1.09 -0.50 -4.83 121.20 114.57 1kee s ILE 107 Ca 0.16 -0.12 -0.20 0.00 -2.23 0.00 0.00 60.65 58.25 1kee s ILE 107 Cb -0.03 -3.04 -0.04 0.00 -1.58 0.00 0.00 42.46 37.77 1kee s ILE 107 CO 0.76 0.58 0.58 -0.69 -1.23 0.00 0.00 174.94 174.93 1kee s VAL 108 N -0.97 5.11 -0.04 2.92 1.01 -1.26 0.20 120.40 127.36 1kee s VAL 108 Ca 0.15 1.17 -0.17 0.00 0.00 0.00 0.00 61.98 63.13 1kee s VAL 108 Cb -0.12 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.38 1kee s VAL 108 CO 0.04 0.31 0.38 0.00 0.00 0.00 0.00 175.10 175.83 1kee s ALA 109 N 0.62 -0.97 0.10 5.51 0.00 -1.26 -2.57 121.76 123.19 1kee s ALA 109 Ca 0.31 0.61 0.06 0.00 0.00 0.00 0.00 51.96 52.95 1kee s ALA 109 Cb -0.16 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 1kee s ALA 109 CO 0.14 -0.26 -0.16 -1.50 0.00 0.00 0.00 175.76 173.98 1kee s ILE 110 N -1.03 1.35 0.38 0.00 2.07 0.05 -1.84 121.20 122.18 1kee s ILE 110 Ca -0.11 -1.50 0.04 0.00 -1.41 0.00 0.00 60.65 57.67 1kee s ILE 110 Cb -0.04 -1.35 -0.04 0.00 0.13 0.00 0.00 42.46 41.16 1kee s ILE 110 CO 0.04 -0.24 0.09 0.00 -1.91 0.00 0.00 174.94 172.92 1kee s ALA 111 N -1.51 2.78 -1.01 1.50 0.00 0.50 -1.99 121.76 122.03 1kee s ALA 111 Ca 0.04 -1.52 -0.04 0.00 0.00 0.00 0.00 51.96 50.43 1kee s ALA 111 Cb -0.08 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.69 1kee s ALA 111 CO 0.03 -0.30 0.55 -0.25 0.00 0.00 0.00 175.76 175.79 1kee n ASP 112 N -1.03 -4.77 -4.43 0.00 10.43 0.26 -1.72 116.55 115.28 1kee n ASP 112 Ca -0.05 -0.25 -0.22 0.00 2.57 0.00 0.00 54.79 56.83 1kee n ASP 112 Cb 0.66 -3.54 -0.10 0.00 1.84 0.00 0.00 41.12 39.98 1kee n ASP 112 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 1kee s ILE 113 N -3.06 2.12 -1.13 0.53 -5.25 -1.24 -4.71 121.20 108.47 1kee s ILE 113 Ca 0.27 -2.29 -0.21 0.00 -0.99 0.00 0.00 60.65 57.43 1kee s ILE 113 Cb -0.12 -2.28 -0.06 0.00 2.95 0.00 0.00 42.46 42.95 1kee s ILE 113 CO 0.34 -0.43 1.92 -0.67 -1.79 0.00 0.00 174.94 174.31 1kee n ASP 114 N -0.56 3.41 0.02 4.36 4.64 -1.26 -4.32 116.55 122.85 1kee n ASP 114 Ca -0.06 -2.75 0.14 0.00 -1.38 0.00 0.00 54.79 50.73 1kee n ASP 114 Cb 0.61 -1.58 0.60 0.00 -1.04 0.00 0.00 41.12 39.71 1kee n ASP 114 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 1kee h THR 115 N 5.41 0.87 -0.51 5.18 1.35 -1.93 -1.90 112.91 121.38 1kee h THR 115 Ca 0.35 -0.06 -0.08 0.00 -0.55 0.00 0.00 66.41 66.07 1kee h THR 115 Cb 0.83 0.67 -0.02 0.00 -1.73 0.00 0.00 68.15 67.90 1kee h THR 115 CO 1.52 0.03 0.01 -0.09 -0.25 0.00 0.00 175.52 176.74 1kee h ARG 116 N 0.18 0.89 -0.64 4.72 2.43 -1.91 -0.14 114.38 119.90 1kee h ARG 116 Ca 0.20 -0.28 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1kee h ARG 116 Cb 0.58 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 1kee h ARG 116 CO -0.03 0.91 0.42 -0.22 -1.51 0.00 0.00 179.97 179.54 1kee h LYS 117 N 0.75 0.83 -0.49 0.20 3.64 -1.76 -0.38 116.57 119.36 1kee h LYS 117 Ca 0.14 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1kee h LYS 117 Cb 0.50 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1kee h LYS 117 CO 0.02 0.55 0.09 1.25 -2.27 0.00 0.00 179.45 179.10 1kee h LEU 118 N 0.85 0.77 0.10 5.20 5.85 -1.28 -1.31 115.31 125.49 1kee h LEU 118 Ca 0.24 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1kee h LEU 118 Cb -0.08 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.75 1kee h LEU 118 CO -0.06 0.82 -0.05 0.74 -0.34 0.00 0.00 178.44 179.55 1kee h THR 119 N 0.68 0.94 -0.90 1.05 2.02 -0.64 -1.19 112.91 114.88 1kee h THR 119 Ca 0.15 -0.15 0.07 0.00 0.77 0.00 0.00 66.41 67.25 1kee h THR 119 Cb 0.37 1.04 -0.06 0.00 -1.74 0.00 0.00 68.15 67.76 1kee h THR 119 CO 0.01 0.04 0.59 0.03 0.37 0.00 0.00 175.52 176.55 1kee h ARG 120 N -0.20 0.99 -0.16 6.66 3.08 -0.96 0.70 114.38 124.49 1kee h ARG 120 Ca -0.01 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1kee h ARG 120 Cb 0.17 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1kee h ARG 120 CO 0.02 0.65 0.05 1.25 -1.07 0.00 0.00 179.97 180.87 1kee h LEU 121 N 1.02 0.23 -0.64 3.04 5.85 -0.94 -0.53 115.31 123.33 1kee h LEU 121 Ca 0.39 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1kee h LEU 121 Cb 0.21 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1kee h LEU 121 CO -0.15 0.37 0.34 -0.07 -0.34 0.00 0.00 178.44 178.59 1kee h LEU 122 N 0.08 0.82 -0.29 2.25 3.38 -0.38 0.14 115.31 121.30 1kee h LEU 122 Ca 0.05 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1kee h LEU 122 Cb 0.22 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1kee h LEU 122 CO -0.00 0.69 0.03 -0.09 0.09 0.00 0.00 178.44 179.16 1kee h ARG 123 N 0.88 0.50 -0.11 1.13 2.43 -0.81 0.17 114.38 118.58 1kee h ARG 123 Ca 0.23 -0.15 -0.12 0.00 -0.81 0.00 0.00 59.98 59.13 1kee h ARG 123 Cb 0.07 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1kee h ARG 123 CO -0.03 0.62 -0.41 0.93 -1.51 0.00 0.00 179.97 179.57 1kee h GLU 124 N 0.31 0.47 -0.01 0.20 4.39 -0.89 -3.35 114.58 115.69 1kee h GLU 124 Ca 0.09 -0.36 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1kee h GLU 124 Cb 0.38 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1kee h GLU 124 CO 0.01 0.99 -0.34 1.63 -1.16 0.00 0.00 179.01 180.13 1kee n LYS 125 N -4.31 1.54 0.00 2.33 5.02 0.46 -5.09 118.16 118.11 1kee n LYS 125 Ca -0.08 -0.96 0.00 0.00 -2.02 0.00 0.00 58.31 55.25 1kee n LYS 125 Cb 0.55 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.21 1kee n LYS 125 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kee n GLY 126 N 1.23 -0.17 3.51 0.72 0.00 0.60 -4.97 105.19 106.11 1kee n GLY 126 Ca 0.08 -1.76 -0.38 0.00 0.00 0.00 0.00 46.02 43.97 1kee n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kee n ALA 127 N -0.06 -0.83 -3.06 4.61 0.00 -0.37 -4.56 120.51 116.24 1kee n ALA 127 Ca 0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 53.44 53.27 1kee n ALA 127 Cb 0.00 -1.92 -0.09 0.00 0.00 0.00 0.00 19.45 17.44 1kee n ALA 127 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1kee s GLN 128 N -2.42 0.60 0.35 0.00 -0.21 -1.26 -5.03 119.66 111.68 1kee s GLN 128 Ca 0.70 -0.42 -0.09 0.00 0.02 0.00 0.00 55.36 55.57 1kee s GLN 128 Cb -0.42 0.25 -0.06 0.00 1.00 0.00 0.00 33.01 33.79 1kee s GLN 128 CO 0.53 -0.16 0.68 -0.80 -2.12 0.00 0.00 175.29 173.42 1kee s ASN 129 N -1.60 6.52 0.34 5.90 0.01 -1.26 0.17 114.94 125.02 1kee s ASN 129 Ca -0.11 0.99 -0.10 0.00 -0.71 0.00 0.00 52.86 52.93 1kee s ASN 129 Cb -0.05 -2.26 0.02 0.00 0.41 0.00 0.00 41.25 39.37 1kee s ASN 129 CO 0.01 -0.30 0.61 -0.83 -1.51 0.00 0.00 177.10 175.08 1kee s GLY 130 N -3.04 0.82 -0.04 0.66 0.00 0.70 -1.84 107.32 104.59 1kee s GLY 130 Ca 0.49 -1.06 -0.02 0.00 0.00 0.00 0.00 44.72 44.13 1kee s GLY 130 CO 0.29 -0.63 0.09 0.00 0.00 0.00 0.00 173.10 172.85 1kee s ILE 132 N 0.39 3.46 -0.16 0.00 1.01 0.18 -0.99 121.20 125.09 1kee s ILE 132 Ca -0.03 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.10 1kee s ILE 132 Cb -0.04 -2.46 0.02 0.00 0.01 0.00 0.00 42.46 39.99 1kee s ILE 132 CO -0.01 0.53 -0.15 -0.63 0.00 0.00 0.00 174.94 174.68 1kee s ILE 133 N 0.06 1.70 -0.19 2.92 1.01 -0.09 -0.36 121.20 126.26 1kee s ILE 133 Ca -0.03 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 59.85 1kee s ILE 133 Cb -0.14 -1.60 -0.00 0.00 0.01 0.00 0.00 42.46 40.73 1kee s ILE 133 CO 0.04 0.44 -0.11 0.00 0.00 0.00 0.00 174.94 175.30 1kee s ALA 134 N 1.43 2.62 0.00 9.38 0.00 0.90 -0.66 121.76 135.42 1kee s ALA 134 Ca 0.04 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.88 1kee s ALA 134 Cb -0.13 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 21.56 1kee s ALA 134 CO -0.11 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.81 1kee n GLY 135 N 4.45 -1.20 0.34 0.00 0.00 -0.71 -0.75 105.19 107.32 1kee n GLY 135 Ca -0.19 -0.87 -0.17 0.00 0.00 0.00 0.00 46.02 44.78 1kee n GLY 135 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1kee h ASP 136 N 0.00 -0.70 -2.73 1.61 3.45 -1.96 -3.29 116.42 112.80 1kee h ASP 136 Ca 0.00 0.03 -0.60 0.00 0.43 0.00 0.00 57.03 56.89 1kee h ASP 136 Cb 0.00 0.19 -0.39 0.00 -0.56 0.00 0.00 39.33 38.56 1kee h ASP 136 CO 0.00 -0.49 -0.83 0.20 -1.57 0.00 0.00 179.24 176.55 1kee s ASN 137 N -4.50 2.72 0.23 6.45 0.02 -1.26 -4.63 114.94 113.97 1kee s ASN 137 Ca -0.17 -3.12 -0.32 0.00 -1.02 0.00 0.00 52.86 48.23 1kee s ASN 137 Cb 0.04 -0.82 -0.12 0.00 0.02 0.00 0.00 41.25 40.37 1kee s ASN 137 CO 0.63 -0.18 1.70 -0.81 0.02 0.00 0.00 177.10 178.46 1kee n PRO 138 N 2.83 2.77 -2.93 -0.60 -0.05 -1.26 -4.95 135.00 130.82 1kee n PRO 138 Ca 0.23 1.00 -0.43 0.00 -0.05 0.00 0.00 63.50 64.24 1kee n PRO 138 Cb 0.42 -2.83 -0.05 0.00 -0.05 0.00 0.00 33.50 30.99 1kee n PRO 138 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 175.50 175.79 1kee s ASP 139 N 1.01 6.44 0.18 3.54 -1.08 -1.26 -4.95 116.67 120.56 1kee s ASP 139 Ca 0.72 -0.03 -0.13 0.00 -0.52 0.00 0.00 52.55 52.60 1kee s ASP 139 Cb -0.50 -2.40 0.12 0.00 -1.46 0.00 0.00 42.92 38.67 1kee s ASP 139 CO 0.36 -0.94 1.82 0.00 0.52 0.00 0.00 175.17 176.93 1kee h ALA 140 N 8.98 0.70 -0.79 3.66 0.00 -1.99 -1.22 119.26 128.60 1kee h ALA 140 Ca -0.25 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.69 1kee h ALA 140 Cb 1.08 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1kee h ALA 140 CO 0.98 0.04 0.50 0.00 0.00 0.00 0.00 179.25 180.77 1kee h ALA 141 N 1.24 1.04 -0.00 0.00 0.00 -1.99 0.66 119.26 120.21 1kee h ALA 141 Ca 0.22 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 1kee h ALA 141 Cb 0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1kee h ALA 141 CO -0.10 0.31 -0.61 1.25 0.00 0.00 0.00 179.25 180.11 1kee h LEU 142 N 0.98 0.02 -0.49 0.00 5.85 -1.88 -1.34 115.31 118.45 1kee h LEU 142 Ca 0.32 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.91 1kee h LEU 142 Cb 0.02 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1kee h LEU 142 CO -0.11 0.62 -0.14 0.00 -0.34 0.00 0.00 178.44 178.47 1kee h ALA 143 N 1.38 0.68 -0.53 1.25 0.00 0.02 -1.95 119.26 120.11 1kee h ALA 143 Ca -0.01 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1kee h ALA 143 Cb 1.08 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1kee h ALA 143 CO 0.08 0.61 0.33 1.25 0.00 0.00 0.00 179.25 181.52 1kee h LEU 144 N 0.82 0.63 -0.76 0.00 5.85 -0.63 0.69 115.31 121.91 1kee h LEU 144 Ca 0.12 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1kee h LEU 144 Cb 0.70 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 1kee h LEU 144 CO 0.05 0.49 0.46 -0.08 -0.34 0.00 0.00 178.44 179.02 1kee h GLU 145 N 0.71 1.03 -0.58 1.25 4.57 -1.01 0.99 114.58 121.54 1kee h GLU 145 Ca 0.19 -0.09 -0.04 0.00 -1.18 0.00 0.00 59.36 58.24 1kee h GLU 145 Cb -0.03 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 28.32 1kee h GLU 145 CO -0.04 0.73 0.22 0.87 -1.18 0.00 0.00 179.01 179.62 1kee h LYS 146 N 1.04 0.88 -0.38 1.92 1.57 -0.80 0.35 116.57 121.14 1kee h LYS 146 Ca 0.27 -0.16 -0.08 0.00 -1.87 0.00 0.00 60.65 58.81 1kee h LYS 146 Cb -0.03 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1kee h LYS 146 CO -0.05 0.76 -0.09 0.00 -0.57 0.00 0.00 179.45 179.50 1kee h ALA 147 N 1.08 1.13 0.00 3.86 0.00 -0.20 -1.88 119.26 123.25 1kee h ALA 147 Ca 0.19 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1kee h ALA 147 Cb 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1kee h ALA 147 CO -0.01 0.55 -0.56 0.00 0.00 0.00 0.00 179.25 179.22 1kee h ARG 148 N 0.60 0.00 0.00 0.00 3.08 -0.42 -3.04 114.38 114.60 1kee h ARG 148 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1kee h ARG 148 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1kee h ARG 148 CO 0.03 0.56 -0.21 0.00 -1.07 0.00 0.00 179.97 179.28 1kee n ALA 149 N -2.33 2.51 -1.69 0.04 0.00 0.12 -4.82 120.51 114.34 1kee n ALA 149 Ca -0.00 -0.10 -0.44 0.00 0.00 0.00 0.00 53.44 52.90 1kee n ALA 149 Cb 0.64 -1.37 -0.04 0.00 0.00 0.00 0.00 19.45 18.69 1kee n ALA 149 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1kee n PHE 150 N -2.19 2.52 0.27 0.00 -0.00 -0.74 -4.87 117.46 112.46 1kee n PHE 150 Ca 0.05 0.04 0.12 0.00 -0.00 0.00 0.00 57.45 57.65 1kee n PHE 150 Cb 0.43 -2.66 0.75 0.00 -0.00 0.00 0.00 39.48 38.00 1kee n PHE 150 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 1kee h PRO 151 N 7.41 0.00 0.00 -7.13 0.13 -1.90 -3.49 132.00 127.01 1kee h PRO 151 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1kee h PRO 151 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1kee h PRO 151 CO 0.93 0.09 0.00 0.41 -0.23 0.00 0.00 178.00 179.20 1kee n GLY 152 N -0.97 1.25 0.20 1.56 0.00 -1.26 -4.81 105.19 101.15 1kee n GLY 152 Ca -0.02 -1.55 0.10 0.00 0.00 0.00 0.00 46.02 44.54 1kee n GLY 152 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1kee h LEU 153 N 0.00 0.00 -9.33 0.99 4.07 -1.95 -3.42 115.31 105.67 1kee h LEU 153 Ca 0.00 0.00 -0.54 0.00 0.08 0.00 0.00 57.88 57.42 1kee h LEU 153 Cb 0.00 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.75 1kee h LEU 153 CO 0.00 0.18 1.17 0.21 -1.08 0.00 0.00 178.44 178.92 1kee s ASN 154 N -6.21 6.54 0.00 -0.43 3.04 -1.26 -0.29 114.94 116.32 1kee s ASN 154 Ca 0.04 2.50 0.00 0.00 0.04 0.00 0.00 52.86 55.45 1kee s ASN 154 Cb 0.07 -2.53 0.00 0.00 -1.54 0.00 0.00 41.25 37.25 1kee s ASN 154 CO 0.67 -1.00 0.00 0.61 -3.04 0.00 0.00 177.10 174.34 1kee n GLY 155 N 4.36 0.51 3.62 1.21 0.00 -1.26 -5.02 105.19 108.61 1kee n GLY 155 Ca 0.19 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1kee n GLY 155 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1kee s MET 156 N -0.23 4.01 -0.62 1.61 0.00 0.60 -4.83 119.30 119.84 1kee s MET 156 Ca 0.00 -0.28 -0.24 0.00 0.00 0.00 0.00 55.69 55.17 1kee s MET 156 Cb 0.00 -3.61 0.05 0.00 0.00 0.00 0.00 34.83 31.28 1kee s MET 156 CO 0.00 -0.07 1.00 0.34 0.00 0.00 0.00 175.02 176.28 1kee s ASP 157 N 1.44 6.25 -0.02 1.11 3.68 -1.26 -1.09 116.67 126.78 1kee s ASP 157 Ca 0.08 -0.62 0.20 0.00 2.13 0.00 0.00 52.55 54.33 1kee s ASP 157 Cb -0.15 -2.45 -0.29 0.00 -1.45 0.00 0.00 42.92 38.59 1kee s ASP 157 CO 0.08 -1.40 0.53 0.18 0.13 0.00 0.00 175.17 174.69 1kee n LEU 158 N 7.82 0.21 -0.13 -1.34 4.77 -1.26 -4.45 117.00 122.63 1kee n LEU 158 Ca -0.00 -0.12 -0.06 0.00 -0.03 0.00 0.00 56.01 55.80 1kee n LEU 158 Cb 0.47 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.58 1kee n LEU 158 CO 0.65 0.05 0.99 0.00 -1.33 0.00 0.00 177.39 177.75 1kee h ALA 159 N 2.04 0.50 0.00 -1.18 0.00 -1.80 -0.11 119.26 118.72 1kee h ALA 159 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1kee h ALA 159 Cb 0.81 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1kee h ALA 159 CO 0.00 -0.17 0.00 0.36 0.00 0.00 0.00 179.25 179.44 1kee n LYS 160 N -4.93 0.06 -0.04 0.00 2.85 -1.26 -1.25 118.16 113.59 1kee n LYS 160 Ca 0.02 0.43 -0.11 0.00 -1.05 0.00 0.00 58.31 57.60 1kee n LYS 160 Cb 0.11 -1.65 -0.14 0.00 -0.65 0.00 0.00 35.03 32.69 1kee n LYS 160 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1kee n GLU 161 N -1.77 0.66 0.01 -1.58 -0.58 -0.10 -4.35 120.64 112.93 1kee n GLU 161 Ca 0.01 0.24 0.11 0.00 -0.42 0.00 0.00 57.16 57.10 1kee n GLU 161 Cb 0.10 -1.73 -0.11 0.00 -0.57 0.00 0.00 31.44 29.14 1kee n GLU 161 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1kee n VAL 162 N -3.05 0.08 -0.66 2.62 0.24 -0.84 -5.00 118.33 111.72 1kee n VAL 162 Ca -0.22 -0.35 -0.32 0.00 -2.04 0.00 0.00 64.34 61.41 1kee n VAL 162 Cb 1.07 0.23 0.18 0.00 -1.47 0.00 0.00 33.84 33.85 1kee n VAL 162 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1kee n THR 163 N -2.07 0.00 -2.91 3.34 5.66 -0.38 -4.74 114.28 113.18 1kee n THR 163 Ca -0.01 -0.30 -0.38 0.00 -3.05 0.00 0.00 64.05 60.31 1kee n THR 163 Cb 0.49 -0.69 -0.06 0.00 -1.55 0.00 0.00 70.33 68.52 1kee n THR 163 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1kee s THR 164 N -2.31 4.32 0.05 1.09 -1.32 -1.26 -5.00 115.64 111.21 1kee s THR 164 Ca 0.59 1.71 -0.36 0.00 -1.21 0.00 0.00 61.69 62.41 1kee s THR 164 Cb -0.16 -4.07 -0.20 0.00 -1.51 0.00 0.00 72.50 66.55 1kee s THR 164 CO 0.66 0.34 1.51 0.00 -2.21 0.00 0.00 174.62 174.92 1kee h ALA 165 N 3.76 -1.32 -2.63 11.08 0.00 -1.98 -3.38 119.26 124.79 1kee h ALA 165 Ca -0.47 -0.29 -0.60 0.00 0.00 0.00 0.00 54.91 53.55 1kee h ALA 165 Cb 1.20 0.51 -0.13 0.00 0.00 0.00 0.00 17.79 19.37 1kee h ALA 165 CO 0.66 -1.22 -0.71 -1.21 0.00 0.00 0.00 179.25 176.77 1kee s GLU 166 N -5.82 2.02 0.72 0.00 2.02 -1.26 -4.81 118.70 111.57 1kee s GLU 166 Ca -0.19 -1.42 -0.12 0.00 0.02 0.00 0.00 54.97 53.26 1kee s GLU 166 Cb 0.02 -2.07 0.03 0.00 0.10 0.00 0.00 34.13 32.21 1kee s GLU 166 CO 0.58 0.39 1.08 0.00 0.02 0.00 0.00 175.26 177.33 1kee s ALA 167 N -2.03 2.44 0.29 5.21 0.00 -1.26 -4.75 121.76 121.65 1kee s ALA 167 Ca 0.27 0.30 -0.11 0.00 0.00 0.00 0.00 51.96 52.42 1kee s ALA 167 Cb -0.07 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.80 1kee s ALA 167 CO 0.16 -1.46 0.53 1.52 0.00 0.00 0.00 175.76 176.52 1kee s TYR 168 N -2.78 0.45 -0.10 0.00 1.13 -0.12 -4.99 117.35 110.94 1kee s TYR 168 Ca 0.62 -0.83 -0.00 0.00 -1.41 0.00 0.00 57.07 55.45 1kee s TYR 168 Cb -0.17 0.25 -0.03 0.00 -1.10 0.00 0.00 41.96 40.91 1kee s TYR 168 CO 0.51 -1.12 -0.08 0.45 -2.51 0.00 0.00 175.55 172.80 1kee s SER 169 N -3.07 4.47 -0.17 -0.18 0.15 -1.26 0.06 113.70 113.70 1kee s SER 169 Ca 0.23 -0.14 0.01 0.00 0.70 0.00 0.00 55.95 56.75 1kee s SER 169 Cb -0.02 -1.39 0.02 0.00 -1.71 0.00 0.00 66.02 62.92 1kee s SER 169 CO 0.12 0.26 -0.20 0.86 1.20 0.00 0.00 173.24 175.48 1kee s TRP 170 N -0.23 2.72 -0.04 3.44 -0.11 0.18 -4.96 118.94 119.94 1kee s TRP 170 Ca 0.03 -1.57 0.06 0.00 1.22 0.00 0.00 56.10 55.84 1kee s TRP 170 Cb -0.13 -1.88 0.10 0.00 -1.50 0.00 0.00 33.47 30.06 1kee s TRP 170 CO 0.03 -0.77 1.03 0.25 -4.62 0.00 0.00 176.95 172.86 1kee n THR 171 N 4.54 0.68 -3.68 5.86 -2.24 -1.26 -0.24 114.28 117.93 1kee n THR 171 Ca -0.21 -0.81 -0.37 0.00 -2.27 0.00 0.00 64.05 60.40 1kee n THR 171 Cb 0.50 0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 68.94 1kee n THR 171 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1kee s GLN 172 N -1.01 3.82 0.76 -0.78 0.74 -1.26 -0.92 119.66 121.01 1kee s GLN 172 Ca 0.11 0.07 -0.02 0.00 0.05 0.00 0.00 55.36 55.57 1kee s GLN 172 Cb 0.10 -3.27 0.15 0.00 1.10 0.00 0.00 33.01 31.08 1kee s GLN 172 CO 0.01 0.59 1.04 0.20 -0.55 0.00 0.00 175.29 176.58 1kee s GLY 173 N -0.58 1.76 0.75 2.59 0.00 -1.26 -4.02 107.32 106.55 1kee s GLY 173 Ca 0.17 -1.75 -0.14 0.00 0.00 0.00 0.00 44.72 43.00 1kee s GLY 173 CO 0.06 -1.13 1.17 -0.56 0.00 0.00 0.00 173.10 172.63 1kee s SER 174 N -4.79 4.19 0.65 1.64 0.01 -1.25 -4.35 113.70 109.81 1kee s SER 174 Ca 0.68 2.20 -0.11 0.00 1.31 0.00 0.00 55.95 60.03 1kee s SER 174 Cb -0.04 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.60 1kee s SER 174 CO 0.46 -2.26 1.04 0.86 0.41 0.00 0.00 173.24 173.75 1kee s TRP 175 N -2.26 3.40 0.01 2.43 -0.00 -1.26 -4.21 118.94 117.05 1kee s TRP 175 Ca 0.70 1.35 -0.04 0.00 -0.00 0.00 0.00 56.10 58.11 1kee s TRP 175 Cb -0.25 -2.79 -0.01 0.00 -0.00 0.00 0.00 33.47 30.42 1kee s TRP 175 CO 0.48 -0.93 0.07 0.95 -0.00 0.00 0.00 176.95 177.52 1kee s THR 176 N -3.11 0.10 0.15 5.86 -4.23 -0.55 -4.90 115.64 108.96 1kee s THR 176 Ca 0.56 -0.79 -0.18 0.00 -1.18 0.00 0.00 61.69 60.10 1kee s THR 176 Cb -0.12 -0.38 0.02 0.00 1.34 0.00 0.00 72.50 73.36 1kee s THR 176 CO 0.54 -0.43 1.70 0.25 -0.54 0.00 0.00 174.62 176.14 1kee h LEU 177 N 4.40 -0.17 0.66 4.79 5.85 -1.99 1.28 115.31 130.14 1kee h LEU 177 Ca -0.31 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 1kee h LEU 177 Cb 1.20 0.14 0.01 0.00 0.37 0.00 0.00 40.66 42.38 1kee h LEU 177 CO 0.41 -0.05 -0.32 0.74 -0.34 0.00 0.00 178.44 178.89 1kee h THR 178 N 0.06 0.21 0.10 1.05 2.02 -2.04 -3.37 112.91 110.94 1kee h THR 178 Ca 0.14 -0.26 -0.34 0.00 0.77 0.00 0.00 66.41 66.72 1kee h THR 178 Cb 0.20 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 1kee h THR 178 CO -0.26 0.02 -1.86 1.23 0.37 0.00 0.00 175.52 175.03 1kee h GLY 179 N -1.09 0.24 0.00 2.16 0.00 -1.96 -3.51 103.07 98.91 1kee h GLY 179 Ca -0.09 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.63 1kee h GLY 179 CO 0.15 0.53 0.00 0.61 0.00 0.00 0.00 176.54 177.83 1kee n GLY 180 N 1.84 -0.68 3.72 4.60 0.00 0.44 -4.83 105.19 110.27 1kee n GLY 180 Ca -0.26 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 1kee n GLY 180 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kee s LEU 181 N 0.00 4.41 1.32 0.99 1.43 -1.26 -1.48 118.68 124.09 1kee s LEU 181 Ca 0.00 1.69 -0.21 0.00 -1.03 0.00 0.00 54.13 54.58 1kee s LEU 181 Cb 0.00 -3.56 0.33 0.00 0.03 0.00 0.00 46.19 42.99 1kee s LEU 181 CO 0.00 -0.20 1.01 -2.16 0.23 0.00 0.00 176.35 175.23 1kee s PRO 182 N 0.70 -2.12 -0.02 1.29 0.04 -1.26 -5.02 135.00 128.63 1kee s PRO 182 Ca 0.50 0.11 -0.06 0.00 0.04 0.00 0.00 61.00 61.59 1kee s PRO 182 Cb -0.22 -1.48 -0.05 0.00 0.04 0.00 0.00 34.50 32.80 1kee s PRO 182 CO 0.28 -4.34 0.24 -2.00 0.04 0.00 0.00 177.00 171.23 1kee s GLU 183 N -5.16 3.55 0.01 4.56 2.12 -1.26 -4.88 118.70 117.63 1kee s GLU 183 Ca 0.69 -0.11 -0.36 0.00 0.36 0.00 0.00 54.97 55.56 1kee s GLU 183 Cb -0.13 -3.10 -0.14 0.00 0.26 0.00 0.00 34.13 31.02 1kee s GLU 183 CO 0.58 0.67 1.64 0.00 -0.54 0.00 0.00 175.26 177.61 1kee n ALA 184 N 1.25 0.48 -0.58 6.30 0.00 -1.26 -4.71 120.51 121.98 1kee n ALA 184 Ca -0.13 0.41 -0.30 0.00 0.00 0.00 0.00 53.44 53.42 1kee n ALA 184 Cb 0.53 -2.31 0.27 0.00 0.00 0.00 0.00 19.45 17.94 1kee n ALA 184 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1kee s LYS 185 N 2.10 -2.04 -0.05 0.00 1.02 -0.10 -4.95 119.74 115.72 1kee s LYS 185 Ca 0.87 0.28 -0.04 0.00 0.02 0.00 0.00 55.97 57.09 1kee s LYS 185 Cb -0.80 -1.47 -0.04 0.00 -0.52 0.00 0.00 37.83 35.00 1kee s LYS 185 CO 0.48 -4.32 0.14 0.15 -0.92 0.00 0.00 175.35 170.88 1kee s LYS 186 N -4.98 3.37 0.30 1.68 3.01 -1.26 -4.85 119.74 117.01 1kee s LYS 186 Ca 0.69 -0.27 0.06 0.00 -1.01 0.00 0.00 55.97 55.43 1kee s LYS 186 Cb -0.16 -3.09 0.78 0.00 -1.01 0.00 0.00 37.83 34.36 1kee s LYS 186 CO 0.59 0.71 1.72 0.93 0.51 0.00 0.00 175.35 179.82 1kee h GLU 187 N 4.36 0.51 0.00 1.68 5.08 -1.96 0.38 114.58 124.63 1kee h GLU 187 Ca -0.51 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1kee h GLU 187 Cb 1.20 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1kee h GLU 187 CO 0.63 0.34 0.00 -0.40 -1.00 0.00 0.00 179.01 178.58 1kee n ASP 188 N -4.94 0.00 0.01 1.42 3.85 -1.26 -2.76 116.55 112.87 1kee n ASP 188 Ca 0.24 -1.07 0.11 0.00 -0.71 0.00 0.00 54.79 53.35 1kee n ASP 188 Cb 0.67 0.00 -0.13 0.00 -1.35 0.00 0.00 41.12 40.31 1kee n ASP 188 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1kee n GLU 189 N -0.75 0.57 -3.69 0.11 1.02 0.13 -4.86 120.64 113.16 1kee n GLU 189 Ca 0.09 -0.12 -0.38 0.00 -0.02 0.00 0.00 57.16 56.72 1kee n GLU 189 Cb 0.04 -1.57 -0.12 0.00 -0.02 0.00 0.00 31.44 29.78 1kee n GLU 189 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1kee s LEU 190 N -4.46 4.22 0.14 -4.62 1.43 -1.11 -4.99 118.68 109.28 1kee s LEU 190 Ca -0.05 -0.83 -0.20 0.00 -1.03 0.00 0.00 54.13 52.03 1kee s LEU 190 Cb 0.14 -1.94 0.01 0.00 0.03 0.00 0.00 46.19 44.43 1kee s LEU 190 CO 0.88 -0.27 1.68 1.55 0.23 0.00 0.00 176.35 180.43 1kee h PRO 191 N 8.31 -0.06 -6.43 1.29 0.14 -1.86 -3.44 132.00 129.96 1kee h PRO 191 Ca -0.28 0.00 -0.49 0.00 0.14 0.00 0.00 66.00 65.37 1kee h PRO 191 Cb 1.12 0.01 -0.00 0.00 0.14 0.00 0.00 31.00 32.27 1kee h PRO 191 CO 0.62 -0.04 -0.23 -0.06 0.14 0.00 0.00 178.00 178.43 1kee s PHE 192 N -6.19 3.49 -0.25 1.56 0.40 -0.25 -4.97 117.98 111.77 1kee s PHE 192 Ca -0.14 0.37 0.01 0.00 -0.60 0.00 0.00 56.93 56.57 1kee s PHE 192 Cb 0.12 -1.89 0.07 0.00 0.51 0.00 0.00 43.02 41.82 1kee s PHE 192 CO 0.69 0.21 -0.03 -1.58 0.70 0.00 0.00 175.22 175.21 1kee s HIS 193 N -2.16 2.37 -0.06 0.36 2.46 -1.26 0.51 115.29 117.51 1kee s HIS 193 Ca 0.40 -1.80 0.02 0.00 0.47 0.00 0.00 55.06 54.14 1kee s HIS 193 Cb -0.10 -1.66 -0.03 0.00 -0.13 0.00 0.00 32.58 30.66 1kee s HIS 193 CO 0.33 -0.79 -0.08 0.08 -2.47 0.00 0.00 174.74 171.81 1kee s VAL 194 N 1.40 3.60 -0.28 0.89 1.01 -0.25 0.21 120.40 126.98 1kee s VAL 194 Ca -0.03 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.29 1kee s VAL 194 Cb -0.19 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1kee s VAL 194 CO -0.08 0.57 0.18 -0.69 0.00 0.00 0.00 175.10 175.09 1kee s VAL 195 N -0.82 5.20 -0.21 2.92 1.01 0.12 -1.70 120.40 126.91 1kee s VAL 195 Ca 0.13 0.09 -0.04 0.00 0.00 0.00 0.00 61.98 62.16 1kee s VAL 195 Cb -0.11 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 1kee s VAL 195 CO 0.02 0.23 -0.03 0.00 0.00 0.00 0.00 175.10 175.32 1kee s ALA 196 N 1.74 2.86 -0.19 5.51 0.00 0.92 -0.48 121.76 132.12 1kee s ALA 196 Ca 0.07 -1.12 -0.29 0.00 0.00 0.00 0.00 51.96 50.62 1kee s ALA 196 Cb -0.16 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.25 1kee s ALA 196 CO 0.10 -0.35 1.01 0.71 0.00 0.00 0.00 175.76 177.23 1kee s TYR 197 N 1.35 3.40 -0.80 0.00 1.51 0.48 -1.65 117.35 121.64 1kee s TYR 197 Ca 0.04 1.49 -0.24 0.00 -1.01 0.00 0.00 57.07 57.35 1kee s TYR 197 Cb -0.14 -3.22 0.06 0.00 -0.11 0.00 0.00 41.96 38.54 1kee s TYR 197 CO -0.02 -0.38 1.20 0.34 -1.11 0.00 0.00 175.55 175.58 1kee s ASP 198 N 1.17 6.29 -0.13 2.29 3.68 -0.82 -1.63 116.67 127.52 1kee s ASP 198 Ca 0.45 -1.00 0.17 0.00 2.13 0.00 0.00 52.55 54.30 1kee s ASP 198 Cb -0.16 -2.50 0.71 0.00 -1.45 0.00 0.00 42.92 39.52 1kee s ASP 198 CO 0.10 -1.56 1.62 0.49 0.13 0.00 0.00 175.17 175.95 1kee n PHE 199 N 8.45 1.49 0.00 -5.34 3.72 -1.26 -3.25 117.46 121.27 1kee n PHE 199 Ca 0.10 -0.64 0.00 0.00 -0.05 0.00 0.00 57.45 56.85 1kee n PHE 199 Cb 0.48 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 1kee n PHE 199 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1kee n GLY 200 N 0.92 0.68 3.75 1.37 0.00 -1.15 -4.00 105.19 106.77 1kee n GLY 200 Ca 0.25 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 1kee n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kee s ALA 201 N -1.13 3.42 -0.01 4.61 0.00 -1.24 -4.10 121.76 123.31 1kee s ALA 201 Ca 0.00 0.92 -0.27 0.00 0.00 0.00 0.00 51.96 52.61 1kee s ALA 201 Cb 0.00 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1kee s ALA 201 CO 0.00 -0.25 0.86 0.15 0.00 0.00 0.00 175.76 176.52 1kee s LYS 202 N -1.02 4.52 0.34 0.00 1.02 -1.26 -4.85 119.74 118.48 1kee s LYS 202 Ca 0.47 1.19 0.11 0.00 0.02 0.00 0.00 55.97 57.77 1kee s LYS 202 Cb -0.32 -3.44 0.92 0.00 -0.52 0.00 0.00 37.83 34.47 1kee s LYS 202 CO 0.40 0.04 1.74 0.00 -0.92 0.00 0.00 175.35 176.62 1kee h ARG 203 N 6.58 0.54 -0.83 1.68 3.08 -1.45 -1.25 114.38 122.74 1kee h ARG 203 Ca -0.41 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.57 1kee h ARG 203 Cb 1.21 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 31.10 1kee h ARG 203 CO 0.74 0.36 0.39 -0.97 -1.07 0.00 0.00 179.97 179.42 1kee h ASN 204 N 0.56 1.09 -0.28 7.04 -1.24 -1.92 0.78 115.58 121.61 1kee h ASN 204 Ca 0.63 -0.14 0.06 0.00 0.71 0.00 0.00 56.30 57.56 1kee h ASN 204 Cb 1.25 -0.28 -0.05 0.00 0.73 0.00 0.00 38.32 39.97 1kee h ASN 204 CO -0.42 0.92 -0.06 0.40 -1.29 0.00 0.00 177.43 176.99 1kee h ILE 205 N 1.18 0.73 -0.16 2.57 2.04 -1.54 0.55 117.51 122.89 1kee h ILE 205 Ca 0.28 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 66.13 1kee h ILE 205 Cb 0.13 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1kee h ILE 205 CO -0.03 0.00 0.06 -0.07 0.00 0.00 0.00 178.15 178.11 1kee h LEU 206 N 0.02 0.22 -0.70 1.44 3.38 -1.45 -2.08 115.31 116.13 1kee h LEU 206 Ca 0.14 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1kee h LEU 206 Cb 0.20 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 1kee h LEU 206 CO -0.28 0.32 0.43 0.03 0.09 0.00 0.00 178.44 179.03 1kee h ARG 207 N 0.10 0.81 0.00 1.13 3.08 -0.38 -0.44 114.38 118.67 1kee h ARG 207 Ca 0.05 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1kee h ARG 207 Cb 0.17 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1kee h ARG 207 CO -0.00 0.53 -0.19 0.52 -1.07 0.00 0.00 179.97 179.76 1kee h MET 208 N 0.83 0.00 -0.16 0.04 2.86 0.25 -1.64 114.93 117.11 1kee h MET 208 Ca 0.29 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.71 1kee h MET 208 Cb 0.06 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.73 1kee h MET 208 CO -0.12 0.19 -0.75 -0.07 1.06 0.00 0.00 176.91 177.21 1kee h LEU 209 N 0.00 0.91 -1.23 1.22 3.38 -0.52 -2.96 115.31 116.11 1kee h LEU 209 Ca -0.00 -0.59 -0.03 0.00 0.09 0.00 0.00 57.88 57.35 1kee h LEU 209 Cb 0.61 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1kee h LEU 209 CO 0.02 1.38 0.16 0.58 0.09 0.00 0.00 178.44 180.68 1kee h VAL 210 N 0.53 1.19 -0.07 1.22 2.07 -0.74 -1.74 116.25 118.71 1kee h VAL 210 Ca -0.05 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 1kee h VAL 210 Cb 1.38 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1kee h VAL 210 CO 0.15 0.24 -0.03 0.44 0.02 0.00 0.00 177.57 178.39 1kee h ASP 211 N 0.69 0.09 -0.10 0.57 3.32 -1.15 -0.87 116.42 118.96 1kee h ASP 211 Ca 0.16 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1kee h ASP 211 Cb 0.18 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1kee h ASP 211 CO -0.01 0.14 0.00 0.54 -1.72 0.00 0.00 179.24 178.19 1kee n ARG 212 N -4.44 1.51 -1.15 3.56 1.74 -0.71 -4.91 116.66 112.25 1kee n ARG 212 Ca -0.02 -0.76 0.00 0.00 -0.77 0.00 0.00 57.85 56.31 1kee n ARG 212 Cb 0.15 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 1kee n ARG 212 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kee n GLY 213 N 1.05 1.06 3.31 -0.13 0.00 -0.33 -4.94 105.19 105.20 1kee n GLY 213 Ca 0.16 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 1kee n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kee s ARG 215 N 0.83 4.19 -0.00 0.00 3.52 0.18 -3.79 118.95 123.88 1kee s ARG 215 Ca -0.04 0.16 -0.01 0.00 -0.13 0.00 0.00 55.73 55.71 1kee s ARG 215 Cb -0.15 -3.52 -0.04 0.00 -1.56 0.00 0.00 34.95 29.69 1kee s ARG 215 CO 0.00 0.02 0.12 -0.51 -0.81 0.00 0.00 175.30 174.13 1kee s LEU 216 N 1.13 4.09 -0.24 -0.88 1.43 0.66 -1.09 118.68 123.78 1kee s LEU 216 Ca 0.18 0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.51 1kee s LEU 216 Cb -0.14 -2.42 0.06 0.00 0.03 0.00 0.00 46.19 43.72 1kee s LEU 216 CO 0.07 0.26 -0.05 -0.89 0.23 0.00 0.00 176.35 175.98 1kee s THR 217 N -1.26 1.58 -0.22 5.49 2.01 -0.69 0.52 115.64 123.07 1kee s THR 217 Ca 0.25 -1.31 -0.20 0.00 0.31 0.00 0.00 61.69 60.74 1kee s THR 217 Cb -0.12 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.50 1kee s THR 217 CO 0.16 -0.15 0.58 -0.63 -0.69 0.00 0.00 174.62 173.90 1kee s ILE 218 N 1.36 5.04 0.26 1.82 -1.09 0.11 -0.05 121.20 128.65 1kee s ILE 218 Ca -0.05 1.06 0.10 0.00 -2.23 0.00 0.00 60.65 59.53 1kee s ILE 218 Cb -0.19 -3.89 -0.04 0.00 -1.58 0.00 0.00 42.46 36.75 1kee s ILE 218 CO -0.07 0.11 -0.06 0.68 -1.23 0.00 0.00 174.94 174.37 1kee s VAL 219 N 2.04 3.20 0.27 2.92 -7.23 -0.66 -0.94 120.40 120.00 1kee s VAL 219 Ca 0.26 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.13 1kee s VAL 219 Cb -0.16 -2.69 -0.09 0.00 0.56 0.00 0.00 36.38 34.00 1kee s VAL 219 CO 0.09 -0.35 1.20 -2.84 -0.31 0.00 0.00 175.10 172.90 1kee s PRO 220 N -3.54 4.50 0.27 4.82 0.02 -1.26 -1.95 135.00 137.86 1kee s PRO 220 Ca 0.30 1.97 0.05 0.00 0.02 0.00 0.00 61.00 63.35 1kee s PRO 220 Cb -0.06 -3.16 0.75 0.00 0.02 0.00 0.00 34.50 32.05 1kee s PRO 220 CO 0.18 -0.01 1.30 0.00 -0.33 0.00 0.00 177.00 178.14 1kee n ALA 221 N 1.44 0.53 1.81 -1.55 0.00 -1.20 -0.32 120.51 121.22 1kee n ALA 221 Ca 0.01 0.88 0.06 0.00 0.00 0.00 0.00 53.44 54.39 1kee n ALA 221 Cb 0.44 -0.70 0.33 0.00 0.00 0.00 0.00 19.45 19.52 1kee n ALA 221 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1kee n GLN 222 N -5.11 0.90 -1.76 0.00 6.02 -1.26 -4.65 117.38 111.51 1kee n GLN 222 Ca 0.22 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.80 1kee n GLN 222 Cb 0.74 -1.19 -0.02 0.00 1.02 0.00 0.00 30.24 30.79 1kee n GLN 222 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1kee s THR 223 N -2.00 2.04 0.50 5.09 2.01 0.56 -4.96 115.64 118.88 1kee s THR 223 Ca 0.17 0.03 -0.21 0.00 0.31 0.00 0.00 61.69 61.99 1kee s THR 223 Cb 0.08 -3.02 -0.07 0.00 0.01 0.00 0.00 72.50 69.50 1kee s THR 223 CO 0.13 0.00 1.15 -0.94 -0.69 0.00 0.00 174.62 174.27 1kee s SER 224 N 0.65 5.97 0.33 3.53 1.04 -1.26 -4.93 113.70 119.03 1kee s SER 224 Ca 0.66 2.25 0.05 0.00 0.48 0.00 0.00 55.95 59.39 1kee s SER 224 Cb -0.48 -2.59 0.58 0.00 0.10 0.00 0.00 66.02 63.63 1kee s SER 224 CO 0.45 -1.05 1.84 0.00 0.98 0.00 0.00 173.24 175.45 1kee h ALA 225 N 1.67 1.32 0.27 5.32 0.00 -1.93 -2.23 119.26 123.69 1kee h ALA 225 Ca -0.50 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.15 1kee h ALA 225 Cb 1.25 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1kee h ALA 225 CO 0.59 0.46 -0.13 0.93 0.00 0.00 0.00 179.25 181.10 1kee h GLU 226 N 0.42 -0.35 -0.67 0.00 3.07 -1.94 0.68 114.58 115.78 1kee h GLU 226 Ca 0.08 0.02 0.16 0.00 -0.50 0.00 0.00 59.36 59.12 1kee h GLU 226 Cb 0.45 0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 28.40 1kee h GLU 226 CO 0.02 -0.13 0.46 -0.44 -1.40 0.00 0.00 179.01 177.53 1kee h ASP 227 N -0.52 0.21 0.12 1.42 5.19 -1.88 -2.55 116.42 118.41 1kee h ASP 227 Ca -0.04 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.38 1kee h ASP 227 Cb 0.38 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.87 1kee h ASP 227 CO 0.06 0.11 -0.06 0.58 -3.12 0.00 0.00 179.24 176.81 1kee h VAL 228 N 0.22 0.73 -0.92 -1.35 2.07 -1.00 -3.30 116.25 112.71 1kee h VAL 228 Ca 0.32 -1.26 0.24 0.00 0.82 0.00 0.00 66.70 66.82 1kee h VAL 228 Cb 0.96 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.98 1kee h VAL 228 CO -0.06 0.22 0.63 -0.07 0.02 0.00 0.00 177.57 178.30 1kee h LEU 229 N -0.95 0.20 -2.77 2.57 3.38 -0.59 0.85 115.31 118.00 1kee h LEU 229 Ca -0.02 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1kee h LEU 229 Cb 0.48 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1kee h LEU 229 CO 0.03 0.07 0.03 0.50 0.09 0.00 0.00 178.44 179.16 1kee h LYS 230 N 0.20 0.00 0.00 1.13 3.64 -1.54 -0.61 116.57 119.39 1kee h LYS 230 Ca 0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.84 1kee h LYS 230 Cb 1.49 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.31 1kee h LYS 230 CO -0.10 0.00 -0.39 -1.33 -2.27 0.00 0.00 179.45 175.36 1kee n MET 231 N -2.99 0.12 -3.31 1.90 2.81 0.29 -4.98 117.12 110.97 1kee n MET 231 Ca -0.03 0.05 -0.10 0.00 -1.81 0.00 0.00 57.70 55.82 1kee n MET 231 Cb 0.10 -1.59 0.01 0.00 -0.71 0.00 0.00 33.22 31.02 1kee n MET 231 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1kee n ASN 232 N -1.78 -6.79 -4.82 7.83 4.13 -0.24 -4.94 115.26 108.65 1kee n ASN 232 Ca 0.05 -0.41 -0.34 0.00 1.68 0.00 0.00 54.58 55.56 1kee n ASN 232 Cb 0.38 -4.23 -0.07 0.00 -1.54 0.00 0.00 39.78 34.33 1kee n ASN 232 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1kee s PRO 233 N -3.82 4.26 0.29 3.52 0.05 -1.26 -4.93 135.00 133.12 1kee s PRO 233 Ca 0.07 1.04 0.16 0.00 0.05 0.00 0.00 61.00 62.31 1kee s PRO 233 Cb -0.02 -2.46 0.08 0.00 0.05 0.00 0.00 34.50 32.15 1kee s PRO 233 CO 0.80 0.13 1.45 -0.44 0.05 0.00 0.00 177.00 178.99 1kee h ASP 234 N 2.46 0.00 -4.59 6.66 3.32 -0.61 -3.47 116.42 120.20 1kee h ASP 234 Ca -0.48 0.00 0.25 0.00 0.02 0.00 0.00 57.03 56.82 1kee h ASP 234 Cb 1.18 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.56 1kee h ASP 234 CO 0.63 0.47 0.76 -0.83 -1.72 0.00 0.00 179.24 178.55 1kee s GLY 235 N -4.45 -0.33 -0.10 2.75 0.00 -1.20 -4.35 107.32 99.64 1kee s GLY 235 Ca 0.04 1.32 0.04 0.00 0.00 0.00 0.00 44.72 46.12 1kee s GLY 235 CO 0.74 0.42 -0.24 -0.42 0.00 0.00 0.00 173.10 173.61 1kee s ILE 236 N -2.53 2.11 -0.05 0.90 1.09 -0.74 0.13 121.20 122.10 1kee s ILE 236 Ca 0.10 -1.01 0.06 0.00 -1.10 0.00 0.00 60.65 58.70 1kee s ILE 236 Cb -0.00 -1.80 -0.02 0.00 -1.06 0.00 0.00 42.46 39.58 1kee s ILE 236 CO -0.05 0.56 -0.23 0.12 -0.10 0.00 0.00 174.94 175.24 1kee s PHE 237 N 0.29 2.48 -0.33 3.97 5.36 0.37 -1.80 117.98 128.32 1kee s PHE 237 Ca -0.17 -0.55 -0.06 0.00 -0.96 0.00 0.00 56.93 55.19 1kee s PHE 237 Cb -0.17 -1.59 0.03 0.00 -0.34 0.00 0.00 43.02 40.94 1kee s PHE 237 CO 0.08 -0.10 0.10 -0.51 -1.46 0.00 0.00 175.22 173.33 1kee s LEU 238 N -0.34 4.18 1.24 6.12 1.43 -0.03 -0.39 118.68 130.88 1kee s LEU 238 Ca 0.02 -1.02 -0.20 0.00 -1.03 0.00 0.00 54.13 51.90 1kee s LEU 238 Cb -0.12 -1.87 0.30 0.00 0.03 0.00 0.00 46.19 44.53 1kee s LEU 238 CO 0.02 -0.29 1.08 -0.94 0.23 0.00 0.00 176.35 176.46 1kee s SER 239 N 1.43 0.58 0.66 2.29 1.04 -0.64 -1.90 113.70 117.16 1kee s SER 239 Ca -0.00 0.66 -0.05 0.00 0.48 0.00 0.00 55.95 57.04 1kee s SER 239 Cb -0.19 -0.91 0.05 0.00 0.10 0.00 0.00 66.02 65.07 1kee s SER 239 CO 0.03 -4.33 0.95 0.54 0.98 0.00 0.00 173.24 171.40 1kee s ASN 240 N -3.78 4.98 0.00 7.02 4.22 -1.21 -1.36 114.94 124.81 1kee s ASN 240 Ca 0.71 0.37 0.00 0.00 -2.14 0.00 0.00 52.86 51.80 1kee s ASN 240 Cb -0.10 -1.10 0.00 0.00 1.28 0.00 0.00 41.25 41.33 1kee s ASN 240 CO 0.56 -1.46 0.00 0.61 -2.04 0.00 0.00 177.10 174.78 1kee n GLY 241 N -2.77 0.24 3.89 0.45 0.00 -1.26 -2.91 105.19 102.84 1kee n GLY 241 Ca 0.08 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 1kee n GLY 241 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1kee s PRO 242 N -2.00 2.81 1.75 1.61 0.04 -1.26 -4.68 135.00 133.28 1kee s PRO 242 Ca 0.00 0.36 0.00 0.00 0.04 0.00 0.00 61.00 61.40 1kee s PRO 242 Cb 0.00 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1kee s PRO 242 CO 0.00 -1.01 0.00 0.41 0.04 0.00 0.00 177.00 176.44 1kee n GLY 243 N -2.95 -1.20 3.73 0.56 0.00 -1.26 -3.71 105.19 100.35 1kee n GLY 243 Ca 0.07 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 1kee n GLY 243 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1kee s ASP 244 N -4.03 7.03 0.15 1.61 3.68 -0.25 -4.89 116.67 119.97 1kee s ASP 244 Ca 0.00 2.19 -0.06 0.00 2.13 0.00 0.00 52.55 56.81 1kee s ASP 244 Cb 0.00 -2.59 -0.01 0.00 -1.45 0.00 0.00 42.92 38.87 1kee s ASP 244 CO 0.00 -0.46 1.41 1.55 0.13 0.00 0.00 175.17 177.80 1kee h PRO 245 N 5.99 0.59 -0.89 4.34 0.13 -1.87 -3.38 132.00 136.91 1kee h PRO 245 Ca -0.43 -0.45 0.11 0.00 -0.87 0.00 0.00 66.00 64.36 1kee h PRO 245 Cb 1.21 0.08 -0.13 0.00 0.13 0.00 0.00 31.00 32.30 1kee h PRO 245 CO 0.79 1.07 -0.49 0.00 -0.23 0.00 0.00 178.00 179.14 1kee h ALA 246 N 0.81 -0.26 0.00 -0.56 0.00 -1.95 -1.06 119.26 116.24 1kee h ALA 246 Ca -0.03 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1kee h ALA 246 Cb 1.29 1.15 0.00 0.00 0.00 0.00 0.00 17.79 20.23 1kee h ALA 246 CO 0.13 -0.82 0.00 -0.35 0.00 0.00 0.00 179.25 178.21 1kee n PRO 247 N -5.37 0.37 -2.16 0.00 -0.04 -1.26 -4.20 135.00 122.34 1kee n PRO 247 Ca 0.05 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.10 1kee n PRO 247 Cb 0.33 -1.33 -0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1kee n PRO 247 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kee h ASP 249 N 4.92 -1.52 -0.85 0.00 -0.00 -1.86 -2.18 116.42 114.94 1kee h ASP 249 Ca 0.59 0.28 0.21 0.00 -0.00 0.00 0.00 57.03 58.11 1kee h ASP 249 Cb 0.40 0.73 -0.15 0.00 -0.00 0.00 0.00 39.33 40.32 1kee h ASP 249 CO 1.50 -0.30 0.08 0.10 -0.00 0.00 0.00 179.24 180.62 1kee h TYR 250 N -0.11 0.08 -0.02 4.15 -0.00 -1.97 0.51 116.97 119.61 1kee h TYR 250 Ca 0.24 0.06 -0.21 0.00 0.00 0.00 0.00 58.73 58.82 1kee h TYR 250 Cb 0.55 0.10 0.02 0.00 0.00 0.00 0.00 36.73 37.40 1kee h TYR 250 CO -0.80 -0.27 -0.81 0.00 -0.00 0.00 0.00 178.16 176.28 1kee h ALA 251 N 1.79 0.13 -0.79 0.10 0.00 -1.67 -1.66 119.26 117.15 1kee h ALA 251 Ca 0.50 -0.62 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1kee h ALA 251 Cb 0.96 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1kee h ALA 251 CO -0.72 0.53 0.49 0.82 0.00 0.00 0.00 179.25 180.37 1kee h ILE 252 N 0.19 1.07 0.37 0.00 2.04 -0.82 0.18 117.51 120.54 1kee h ILE 252 Ca -0.10 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 1kee h ILE 252 Cb 1.48 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1kee h ILE 252 CO 0.16 0.17 -0.18 0.74 0.00 0.00 0.00 178.15 179.04 1kee h THR 253 N 0.93 0.64 -0.56 -0.27 2.02 -0.99 -0.68 112.91 114.00 1kee h THR 253 Ca 0.33 -0.05 0.09 0.00 0.77 0.00 0.00 66.41 67.55 1kee h THR 253 Cb 0.09 0.67 -0.07 0.00 -1.74 0.00 0.00 68.15 67.10 1kee h THR 253 CO -0.14 0.01 0.17 0.00 0.37 0.00 0.00 175.52 175.93 1kee h ALA 254 N 0.11 0.68 -0.45 6.16 0.00 -0.48 -1.75 119.26 123.53 1kee h ALA 254 Ca -0.05 0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1kee h ALA 254 Cb 0.39 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1kee h ALA 254 CO 0.08 -0.25 0.26 0.82 0.00 0.00 0.00 179.25 180.17 1kee h ILE 255 N 0.33 1.05 -1.00 0.00 2.04 -0.51 -1.34 117.51 118.08 1kee h ILE 255 Ca 0.28 -0.18 0.24 0.00 1.00 0.00 0.00 64.86 66.20 1kee h ILE 255 Cb 0.36 0.47 -0.12 0.00 -0.74 0.00 0.00 36.82 36.79 1kee h ILE 255 CO -0.32 0.10 0.58 1.56 0.00 0.00 0.00 178.15 180.07 1kee h GLN 256 N 0.53 0.56 0.30 2.37 4.20 -0.25 0.14 115.11 122.98 1kee h GLN 256 Ca 0.18 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 1kee h GLN 256 Cb 0.01 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.67 1kee h GLN 256 CO -0.08 0.37 -0.15 0.87 -0.67 0.00 0.00 178.83 179.17 1kee h LYS 257 N 0.58 -0.39 -0.82 1.46 6.56 -0.80 -2.97 116.57 120.19 1kee h LYS 257 Ca 0.64 0.03 0.13 0.00 -1.06 0.00 0.00 60.65 60.39 1kee h LYS 257 Cb 1.20 0.09 -0.09 0.00 -0.57 0.00 0.00 32.23 32.86 1kee h LYS 257 CO -0.48 -0.16 0.41 0.74 -2.06 0.00 0.00 179.45 177.91 1kee h PHE 258 N -0.56 0.73 0.00 -1.35 0.04 -0.14 0.15 116.94 115.81 1kee h PHE 258 Ca -0.04 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1kee h PHE 258 Cb 0.41 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.36 1kee h PHE 258 CO -0.02 0.19 0.00 1.28 -0.60 0.00 0.00 178.31 179.17 1kee n LEU 259 N -4.87 0.00 0.09 1.54 4.77 0.27 -0.30 117.00 118.49 1kee n LEU 259 Ca 0.16 0.42 0.06 0.00 -0.03 0.00 0.00 56.01 56.62 1kee n LEU 259 Cb 0.39 -0.42 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 1kee n LEU 259 CO 0.22 -0.39 -0.00 -0.33 -1.33 0.00 0.00 177.39 175.56 1kee h GLU 260 N 0.00 0.00 0.00 3.23 5.08 -0.68 -3.46 114.58 118.75 1kee h GLU 260 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1kee h GLU 260 Cb 0.04 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.33 1kee h GLU 260 CO 0.00 0.16 0.09 0.25 -1.00 0.00 0.00 179.01 178.51 1kee n THR 261 N -2.85 0.00 0.24 1.13 -2.24 0.59 -5.01 114.28 106.15 1kee n THR 261 Ca -0.03 -0.43 0.05 0.00 -2.27 0.00 0.00 64.05 61.37 1kee n THR 261 Cb 0.68 -1.52 0.07 0.00 -2.10 0.00 0.00 70.33 67.46 1kee n THR 261 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1kee n ASP 262 N -3.12 2.11 -4.77 3.42 8.00 -1.26 -4.93 116.55 115.99 1kee n ASP 262 Ca 0.06 -1.58 -0.39 0.00 0.71 0.00 0.00 54.79 53.58 1kee n ASP 262 Cb 0.19 -0.06 -0.00 0.00 -0.02 0.00 0.00 41.12 41.23 1kee n ASP 262 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1kee s ILE 263 N -0.87 2.66 0.12 0.53 1.01 -1.26 -4.83 121.20 118.57 1kee s ILE 263 Ca 0.14 0.57 -0.30 0.00 0.00 0.00 0.00 60.65 61.06 1kee s ILE 263 Cb 0.09 -3.33 -0.06 0.00 0.01 0.00 0.00 42.46 39.16 1kee s ILE 263 CO 0.13 0.07 1.10 -2.84 0.00 0.00 0.00 174.94 173.39 1kee s PRO 264 N -2.33 4.56 -0.04 2.79 0.02 -1.26 -4.74 135.00 134.00 1kee s PRO 264 Ca 0.58 1.67 0.04 0.00 0.02 0.00 0.00 61.00 63.32 1kee s PRO 264 Cb -0.37 -3.32 -0.00 0.00 0.02 0.00 0.00 34.50 30.83 1kee s PRO 264 CO 0.47 -0.00 -0.17 0.08 -0.33 0.00 0.00 177.00 177.05 1kee s VAL 265 N 0.22 1.41 -0.03 3.83 1.01 -0.24 -1.80 120.40 124.81 1kee s VAL 265 Ca 0.52 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1kee s VAL 265 Cb -0.28 -1.22 0.03 0.00 0.00 0.00 0.00 36.38 34.91 1kee s VAL 265 CO 0.32 0.41 0.02 0.12 0.00 0.00 0.00 175.10 175.97 1kee s PHE 266 N 0.06 0.20 0.07 5.22 5.36 -0.74 -1.87 117.98 126.28 1kee s PHE 266 Ca -0.04 0.06 0.09 0.00 -0.96 0.00 0.00 56.93 56.08 1kee s PHE 266 Cb -0.12 -0.37 -0.03 0.00 -0.34 0.00 0.00 43.02 42.17 1kee s PHE 266 CO 0.02 -0.13 -0.23 0.20 -1.46 0.00 0.00 175.22 173.63 1kee s GLY 267 N 1.16 1.28 -0.09 13.12 0.00 -0.98 -0.85 107.32 120.96 1kee s GLY 267 Ca -0.08 -1.21 0.13 0.00 0.00 0.00 0.00 44.72 43.56 1kee s GLY 267 CO -0.02 -1.16 1.10 1.39 0.00 0.00 0.00 173.10 174.41 1kee n ILE 268 N 1.48 1.31 0.00 0.90 5.41 -0.80 -1.68 119.36 125.98 1kee n ILE 268 Ca -0.18 -1.57 0.00 0.00 1.00 0.00 0.00 62.75 62.00 1kee n ILE 268 Cb 0.53 -0.01 0.00 0.00 -0.71 0.00 0.00 39.64 39.45 1kee n ILE 268 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1kee n LEU 270 N -1.00 0.00 0.28 1.39 7.94 -1.26 -3.29 117.00 121.06 1kee n LEU 270 Ca 0.11 0.00 0.14 0.00 -1.11 0.00 0.00 56.01 55.15 1kee n LEU 270 Cb 0.65 0.00 0.82 0.00 0.53 0.00 0.00 43.42 45.42 1kee n LEU 270 CO 0.01 0.00 1.05 1.23 -1.11 0.00 0.00 177.39 178.57 1kee h GLY 271 N 0.00 0.00 0.90 -3.96 0.00 -1.38 0.15 103.07 98.79 1kee h GLY 271 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1kee h GLY 271 CO 0.00 0.00 -0.38 0.84 0.00 0.00 0.00 176.54 177.00 1kee h HIS 272 N 0.00 0.73 -0.23 5.60 -0.00 -1.75 -2.16 115.15 117.34 1kee h HIS 272 Ca -0.00 -0.27 -0.01 0.00 -0.00 0.00 0.00 60.37 60.10 1kee h HIS 272 Cb 0.16 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.42 1kee h HIS 272 CO 0.00 1.02 0.12 1.96 -0.00 0.00 0.00 177.93 181.03 1kee h GLN 273 N 0.23 0.32 -0.65 5.26 4.20 -1.56 -1.12 115.11 121.80 1kee h GLN 273 Ca 0.00 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1kee h GLN 273 Cb 0.98 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.67 1kee h GLN 273 CO 0.08 0.31 0.30 -0.07 -0.67 0.00 0.00 178.83 178.78 1kee h LEU 274 N 0.25 0.84 -0.90 1.46 3.38 -0.77 0.37 115.31 119.95 1kee h LEU 274 Ca 0.08 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1kee h LEU 274 Cb 0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1kee h LEU 274 CO -0.01 0.72 -0.26 0.25 0.09 0.00 0.00 178.44 179.23 1kee h LEU 275 N 0.92 0.51 -0.23 1.67 5.85 -1.10 -0.90 115.31 122.03 1kee h LEU 275 Ca 0.22 -0.18 -0.16 0.00 0.84 0.00 0.00 57.88 58.61 1kee h LEU 275 Cb 0.11 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1kee h LEU 275 CO -0.03 0.76 -0.47 0.00 -0.34 0.00 0.00 178.44 178.36 1kee h ALA 276 N 1.28 0.37 -0.28 1.25 0.00 -0.03 -2.32 119.26 119.52 1kee h ALA 276 Ca 0.06 -0.48 0.02 0.00 0.00 0.00 0.00 54.91 54.51 1kee h ALA 276 Cb 0.69 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1kee h ALA 276 CO 0.05 0.52 0.13 -0.07 0.00 0.00 0.00 179.25 179.88 1kee h LEU 277 N 0.45 0.17 -2.06 0.00 3.38 -0.79 -0.15 115.31 116.32 1kee h LEU 277 Ca 0.01 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.08 1kee h LEU 277 Cb 1.08 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1kee h LEU 277 CO 0.10 0.14 0.23 0.00 0.09 0.00 0.00 178.44 179.00 1kee h ALA 278 N 1.16 2.17 -0.24 1.53 0.00 -1.13 0.26 119.26 123.01 1kee h ALA 278 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1kee h ALA 278 Cb 0.06 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1kee h ALA 278 CO -0.10 -0.38 0.00 0.43 0.00 0.00 0.00 179.25 179.21 1kee n SER 279 N -4.26 2.04 0.00 0.00 7.64 -0.41 -4.77 113.62 113.86 1kee n SER 279 Ca 0.04 -1.80 0.00 0.00 1.01 0.00 0.00 58.87 58.12 1kee n SER 279 Cb 0.39 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 1kee n SER 279 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kee n GLY 280 N 1.19 0.86 3.94 0.23 0.00 0.92 -4.68 105.19 107.66 1kee n GLY 280 Ca 0.16 -0.07 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 1kee n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kee s ALA 281 N -2.00 3.63 0.19 4.61 0.00 -0.20 -4.70 121.76 123.29 1kee s ALA 281 Ca 0.00 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 51.06 1kee s ALA 281 Cb 0.00 -2.27 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 1kee s ALA 281 CO 0.00 -0.56 -0.05 0.15 0.00 0.00 0.00 175.76 175.31 1kee s LYS 282 N -4.71 2.23 0.18 0.00 1.02 -1.26 -4.15 119.74 113.05 1kee s LYS 282 Ca 0.51 -1.21 0.11 0.00 0.02 0.00 0.00 55.97 55.39 1kee s LYS 282 Cb -0.10 -2.24 -0.04 0.00 -0.52 0.00 0.00 37.83 34.92 1kee s LYS 282 CO 0.40 0.44 -0.20 0.95 -0.92 0.00 0.00 175.35 176.02 1kee s THR 283 N -1.78 2.61 0.10 2.17 -4.23 -1.26 -0.68 115.64 112.57 1kee s THR 283 Ca 0.27 -1.89 0.02 0.00 -1.18 0.00 0.00 61.69 58.91 1kee s THR 283 Cb -0.09 -2.26 -0.04 0.00 1.34 0.00 0.00 72.50 71.45 1kee s THR 283 CO 0.17 -0.10 -0.07 0.68 -0.54 0.00 0.00 174.62 174.76 1kee s VAL 284 N -1.63 0.77 -0.17 2.29 -7.23 0.13 -4.89 120.40 109.66 1kee s VAL 284 Ca 0.22 -1.91 -0.11 0.00 -1.81 0.00 0.00 61.98 58.37 1kee s VAL 284 Cb -0.08 -1.65 -0.05 0.00 0.56 0.00 0.00 36.38 35.16 1kee s VAL 284 CO 0.11 -0.82 0.20 -0.75 -0.31 0.00 0.00 175.10 173.53 1kee s LYS 285 N -3.68 4.14 0.70 4.82 2.20 -1.26 0.25 119.74 126.91 1kee s LYS 285 Ca 0.11 -0.08 -0.10 0.00 -0.36 0.00 0.00 55.97 55.54 1kee s LYS 285 Cb 0.04 -3.40 0.02 0.00 -1.51 0.00 0.00 37.83 32.98 1kee s LYS 285 CO -0.04 0.33 1.07 -1.64 -0.36 0.00 0.00 175.35 174.71 1kee s MET 286 N 0.25 2.71 0.09 4.03 -1.94 0.18 -4.94 119.30 119.69 1kee s MET 286 Ca 0.12 0.29 -0.33 0.00 -1.71 0.00 0.00 55.69 54.06 1kee s MET 286 Cb -0.12 -2.07 -0.14 0.00 2.01 0.00 0.00 34.83 34.51 1kee s MET 286 CO 0.01 -1.06 1.52 -0.22 -0.01 0.00 0.00 175.02 175.26 1kee h LYS 287 N -0.61 -0.73 0.00 2.03 3.64 -1.98 -3.37 116.57 115.55 1kee h LYS 287 Ca -0.45 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1kee h LYS 287 Cb 1.27 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 1kee h LYS 287 CO 0.63 -0.48 0.00 1.97 -2.27 0.00 0.00 179.45 179.30 1kee n PHE 288 N -5.28 0.00 -4.18 1.91 1.16 -1.26 -1.24 117.46 108.57 1kee n PHE 288 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.49 1kee n PHE 288 Cb 0.40 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.27 1kee n PHE 288 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1kee n GLY 289 N 0.19 -1.83 3.12 4.97 0.00 -1.26 -4.86 105.19 105.51 1kee n GLY 289 Ca 0.00 -1.34 -0.33 0.00 0.00 0.00 0.00 46.02 44.35 1kee n GLY 289 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kee s HIS 290 N 0.00 2.87 -0.24 1.61 0.09 0.24 -5.00 115.29 114.87 1kee s HIS 290 Ca 0.00 -1.75 -0.04 0.00 -0.00 0.00 0.00 55.06 53.27 1kee s HIS 290 Cb 0.00 -1.93 0.09 0.00 -0.00 0.00 0.00 32.58 30.75 1kee s HIS 290 CO 0.00 -0.82 0.17 -1.01 -0.00 0.00 0.00 174.74 173.08 1kee s HIS 291 N 1.26 0.02 -2.66 1.40 3.76 -1.25 -0.75 115.29 117.07 1kee s HIS 291 Ca 0.03 -0.37 0.00 0.00 -0.15 0.00 0.00 55.06 54.57 1kee s HIS 291 Cb -0.14 -0.65 0.00 0.00 1.11 0.00 0.00 32.58 32.90 1kee s HIS 291 CO -0.11 -0.71 0.00 0.41 -0.85 0.00 0.00 174.74 173.47 1kee n GLY 292 N 5.28 -1.40 1.79 -2.22 0.00 -0.36 -2.26 105.19 106.02 1kee n GLY 292 Ca -0.05 -1.04 -0.01 0.00 0.00 0.00 0.00 46.02 44.91 1kee n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kee n GLY 293 N -0.06 2.98 0.35 -0.02 0.00 -1.26 -1.12 105.19 106.05 1kee n GLY 293 Ca 0.00 -1.31 0.01 0.00 0.00 0.00 0.00 46.02 44.72 1kee n GLY 293 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1kee n ASN 294 N -0.35 0.29 -4.64 1.61 6.94 -1.15 -4.45 115.26 113.52 1kee n ASN 294 Ca 0.15 -1.92 -0.43 0.00 -0.02 0.00 0.00 54.58 52.37 1kee n ASN 294 Cb 0.93 -0.18 -0.02 0.00 -2.36 0.00 0.00 39.78 38.15 1kee n ASN 294 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1kee s HIS 295 N -0.32 2.99 -0.02 -2.53 2.46 -0.96 -4.69 115.29 112.22 1kee s HIS 295 Ca 0.03 1.09 -0.30 0.00 0.47 0.00 0.00 55.06 56.36 1kee s HIS 295 Cb 0.03 -3.71 -0.04 0.00 -0.13 0.00 0.00 32.58 28.73 1kee s HIS 295 CO 0.00 -1.15 1.16 -1.25 -2.47 0.00 0.00 174.74 171.04 1kee s PRO 296 N 3.76 4.40 -0.09 2.88 0.04 -1.26 0.65 135.00 145.39 1kee s PRO 296 Ca 0.50 1.66 0.02 0.00 0.04 0.00 0.00 61.00 63.21 1kee s PRO 296 Cb -0.15 -3.49 0.01 0.00 0.04 0.00 0.00 34.50 30.92 1kee s PRO 296 CO 0.17 -0.34 -0.14 0.08 0.04 0.00 0.00 177.00 176.81 1kee s VAL 297 N 1.74 1.35 -0.01 -0.36 1.01 0.11 0.21 120.40 124.46 1kee s VAL 297 Ca 0.56 -0.58 -0.16 0.00 0.00 0.00 0.00 61.98 61.80 1kee s VAL 297 Cb -0.25 -1.24 -0.06 0.00 0.00 0.00 0.00 36.38 34.83 1kee s VAL 297 CO 0.24 0.41 0.44 -0.75 0.00 0.00 0.00 175.10 175.44 1kee s LYS 298 N 0.85 4.02 -0.62 2.72 2.20 -0.00 -1.06 119.74 127.85 1kee s LYS 298 Ca -0.10 0.46 -0.21 0.00 -0.36 0.00 0.00 55.97 55.75 1kee s LYS 298 Cb -0.15 -3.26 0.08 0.00 -1.51 0.00 0.00 37.83 32.99 1kee s LYS 298 CO 0.01 0.60 0.84 0.34 -0.36 0.00 0.00 175.35 176.78 1kee s ASP 299 N -0.81 6.19 0.48 1.43 3.68 -0.35 -2.24 116.67 125.04 1kee s ASP 299 Ca 0.25 -1.14 0.14 0.00 2.13 0.00 0.00 52.55 53.93 1kee s ASP 299 Cb -0.17 -2.37 1.12 0.00 -1.45 0.00 0.00 42.92 40.06 1kee s ASP 299 CO 0.14 -1.27 2.08 -0.37 0.13 0.00 0.00 175.17 175.88 1kee h VAL 300 N 5.95 1.06 -0.23 1.11 -1.51 -1.74 0.78 116.25 121.67 1kee h VAL 300 Ca -0.29 -0.22 -0.08 0.00 -1.23 0.00 0.00 66.70 64.87 1kee h VAL 300 Cb 1.08 1.03 -0.00 0.00 -2.13 0.00 0.00 31.29 31.26 1kee h VAL 300 CO 1.13 0.07 -0.18 -0.33 -1.23 0.00 0.00 177.57 177.04 1kee h GLU 301 N 0.09 0.52 0.00 5.19 5.08 -1.90 -3.27 114.58 120.29 1kee h GLU 301 Ca 0.02 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1kee h GLU 301 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1kee h GLU 301 CO 0.00 0.83 -1.08 1.63 -1.00 0.00 0.00 179.01 179.39 1kee n LYS 302 N -4.44 0.23 -3.05 2.33 5.02 -1.03 -4.99 118.16 112.24 1kee n LYS 302 Ca -0.05 -0.02 -0.20 0.00 -2.02 0.00 0.00 58.31 56.02 1kee n LYS 302 Cb 0.39 -1.55 0.04 0.00 -0.02 0.00 0.00 35.03 33.89 1kee n LYS 302 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1kee n ASN 303 N -1.84 -5.65 -4.47 4.39 5.15 0.27 -5.01 115.26 108.09 1kee n ASN 303 Ca 0.02 -0.30 -0.27 0.00 -0.60 0.00 0.00 54.58 53.43 1kee n ASN 303 Cb 0.42 -4.43 -0.11 0.00 -0.53 0.00 0.00 39.78 35.12 1kee n ASN 303 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1kee s VAL 304 N -3.14 2.64 -0.05 3.44 -7.23 -1.15 -4.95 120.40 109.96 1kee s VAL 304 Ca 0.32 -1.85 -0.00 0.00 -1.81 0.00 0.00 61.98 58.64 1kee s VAL 304 Cb -0.14 -2.27 -0.03 0.00 0.56 0.00 0.00 36.38 34.49 1kee s VAL 304 CO 0.40 -0.08 0.01 -0.69 -0.31 0.00 0.00 175.10 174.43 1kee s VAL 305 N -1.59 4.30 0.05 1.32 1.01 -1.26 -1.21 120.40 123.01 1kee s VAL 305 Ca 0.21 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.86 1kee s VAL 305 Cb -0.09 -2.87 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 1kee s VAL 305 CO 0.11 0.49 -0.18 -0.04 0.00 0.00 0.00 175.10 175.49 1kee s MET 306 N -1.23 1.18 -0.24 2.72 1.00 -0.23 -4.94 119.30 117.56 1kee s MET 306 Ca 0.17 -0.88 -0.18 0.00 0.00 0.00 0.00 55.69 54.80 1kee s MET 306 Cb -0.11 -1.26 -0.03 0.00 0.00 0.00 0.00 34.83 33.43 1kee s MET 306 CO 0.06 0.32 0.52 0.42 0.00 0.00 0.00 175.02 176.34 1kee s ILE 307 N -0.85 5.08 0.34 2.53 -1.09 -1.26 0.09 121.20 126.04 1kee s ILE 307 Ca 0.05 0.90 0.06 0.00 -2.23 0.00 0.00 60.65 59.43 1kee s ILE 307 Cb -0.08 -3.83 -0.07 0.00 -1.58 0.00 0.00 42.46 36.90 1kee s ILE 307 CO 0.02 0.11 -0.00 0.42 -1.23 0.00 0.00 174.94 174.26 1kee s THR 308 N 2.10 1.65 -0.25 2.92 -4.23 0.21 -4.36 115.64 113.67 1kee s THR 308 Ca 0.22 -2.06 -0.16 0.00 -1.18 0.00 0.00 61.69 58.52 1kee s THR 308 Cb -0.16 -2.73 -0.04 0.00 1.34 0.00 0.00 72.50 70.92 1kee s THR 308 CO 0.09 -0.11 0.40 0.00 -0.54 0.00 0.00 174.62 174.47 1kee s ALA 309 N -2.99 3.57 0.02 3.99 0.00 -1.26 -2.26 121.76 122.83 1kee s ALA 309 Ca 0.34 -0.71 0.07 0.00 0.00 0.00 0.00 51.96 51.65 1kee s ALA 309 Cb 0.07 -2.73 -0.02 0.00 0.00 0.00 0.00 23.12 20.44 1kee s ALA 309 CO 0.15 -0.59 -0.20 -0.65 0.00 0.00 0.00 175.76 174.47 1kee s GLN 310 N 1.95 1.46 -0.47 0.00 -1.52 -0.28 -0.88 119.66 119.92 1kee s GLN 310 Ca 0.17 -0.85 0.04 0.00 -1.95 0.00 0.00 55.36 52.77 1kee s GLN 310 Cb -0.15 -1.51 0.21 0.00 -0.22 0.00 0.00 33.01 31.34 1kee s GLN 310 CO 0.09 0.40 0.86 -1.71 -0.25 0.00 0.00 175.29 174.68 1kee n ASN 311 N 2.14 -2.90 -3.76 5.90 5.15 -0.90 -1.22 115.26 119.66 1kee n ASN 311 Ca -0.16 -2.67 -0.13 0.00 -0.60 0.00 0.00 54.58 51.01 1kee n ASN 311 Cb 0.53 1.57 -0.10 0.00 -0.53 0.00 0.00 39.78 41.25 1kee n ASN 311 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1kee s HIS 312 N 0.79 -0.29 -0.42 1.20 -3.43 0.07 -5.00 115.29 108.22 1kee s HIS 312 Ca 0.29 0.66 0.15 0.00 -0.80 0.00 0.00 55.06 55.35 1kee s HIS 312 Cb 0.09 0.11 -0.19 0.00 -1.43 0.00 0.00 32.58 31.17 1kee s HIS 312 CO -0.11 -0.25 0.50 0.41 -2.00 0.00 0.00 174.74 173.28 1kee n GLY 313 N 2.32 -0.48 3.45 -1.38 0.00 -1.26 -0.59 105.19 107.24 1kee n GLY 313 Ca -0.16 -0.39 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 1kee n GLY 313 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kee s PHE 314 N -2.62 2.16 0.12 1.61 0.08 -1.26 0.49 117.98 118.56 1kee s PHE 314 Ca 0.01 -0.43 -0.11 0.00 0.12 0.00 0.00 56.93 56.52 1kee s PHE 314 Cb 0.10 -1.02 0.01 0.00 -0.57 0.00 0.00 43.02 41.54 1kee s PHE 314 CO 0.60 0.59 0.27 0.00 -0.10 0.00 0.00 175.22 176.58 1kee s ALA 315 N -2.66 -0.37 -0.09 5.36 0.00 0.14 -4.85 121.76 119.29 1kee s ALA 315 Ca 0.29 -0.52 -0.24 0.00 0.00 0.00 0.00 51.96 51.49 1kee s ALA 315 Cb -0.02 0.62 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 1kee s ALA 315 CO 0.13 -0.58 0.73 0.08 0.00 0.00 0.00 175.76 176.12 1kee s VAL 316 N -3.87 5.01 -0.05 0.00 1.01 -1.26 0.18 120.40 121.42 1kee s VAL 316 Ca 0.07 1.49 -0.30 0.00 0.00 0.00 0.00 61.98 63.24 1kee s VAL 316 Cb 0.04 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1kee s VAL 316 CO -0.09 0.20 1.27 -0.62 0.00 0.00 0.00 175.10 175.87 1kee s ASP 317 N 0.89 6.98 0.27 3.32 3.68 0.14 -4.44 116.67 127.51 1kee s ASP 317 Ca 0.38 1.89 0.12 0.00 2.13 0.00 0.00 52.55 57.07 1kee s ASP 317 Cb -0.18 -2.56 0.29 0.00 -1.45 0.00 0.00 42.92 39.03 1kee s ASP 317 CO 0.17 -0.64 1.56 -0.08 0.13 0.00 0.00 175.17 176.31 1kee h GLU 318 N 7.66 0.00 0.00 4.34 4.81 -1.95 -3.20 114.58 126.24 1kee h GLU 318 Ca -0.35 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.83 1kee h GLU 318 Cb 1.16 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 1kee h GLU 318 CO 0.90 0.63 -0.25 0.00 -0.73 0.00 0.00 179.01 179.56 1kee h ALA 319 N 1.37 1.04 -0.48 2.92 0.00 -1.98 -3.00 119.26 119.13 1kee h ALA 319 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1kee h ALA 319 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1kee h ALA 319 CO 0.08 0.31 0.00 0.25 0.00 0.00 0.00 179.25 179.89 1kee n THR 320 N -3.44 0.64 -1.88 0.00 -2.24 -1.21 -4.98 114.28 101.17 1kee n THR 320 Ca -0.00 -0.72 -0.42 0.00 -2.27 0.00 0.00 64.05 60.63 1kee n THR 320 Cb 0.43 0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 69.19 1kee n THR 320 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1kee s LEU 321 N -1.22 4.37 0.42 3.22 2.96 -1.14 -4.44 118.68 122.86 1kee s LEU 321 Ca 0.39 2.67 -0.23 0.00 -0.22 0.00 0.00 54.13 56.74 1kee s LEU 321 Cb 0.21 -3.59 -0.09 0.00 0.50 0.00 0.00 46.19 43.22 1kee s LEU 321 CO 0.28 -0.86 1.05 -2.16 -1.32 0.00 0.00 176.35 173.34 1kee s PRO 322 N 1.21 4.05 0.54 0.98 0.04 -1.26 -4.92 135.00 135.64 1kee s PRO 322 Ca 0.71 1.49 0.33 0.00 0.04 0.00 0.00 61.00 63.57 1kee s PRO 322 Cb -0.45 -2.42 1.50 0.00 0.04 0.00 0.00 34.50 33.18 1kee s PRO 322 CO 0.31 -0.24 1.85 0.00 0.04 0.00 0.00 177.00 178.97 1kee h ALA 323 N 2.23 2.92 0.00 8.56 0.00 -1.94 0.52 119.26 131.55 1kee h ALA 323 Ca -0.49 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1kee h ALA 323 Cb 1.22 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1kee h ALA 323 CO 0.61 -1.23 0.00 0.27 0.00 0.00 0.00 179.25 178.90 1kee n ASN 324 N -4.19 0.00 -4.13 0.00 2.04 -1.26 -4.55 115.26 103.17 1kee n ASN 324 Ca 0.21 -1.11 -0.33 0.00 -0.44 0.00 0.00 54.58 52.90 1kee n ASN 324 Cb 1.06 0.00 -0.15 0.00 -2.53 0.00 0.00 39.78 38.16 1kee n ASN 324 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1kee s LEU 325 N -1.74 2.64 -0.01 -4.53 1.43 0.18 -0.39 118.68 116.26 1kee s LEU 325 Ca 0.31 -0.85 0.02 0.00 -1.03 0.00 0.00 54.13 52.58 1kee s LEU 325 Cb 0.14 -1.54 -0.03 0.00 0.03 0.00 0.00 46.19 44.79 1kee s LEU 325 CO 0.24 -0.07 -0.05 0.00 0.23 0.00 0.00 176.35 176.70 1kee s ARG 326 N 1.26 2.64 -0.04 1.70 1.70 -0.44 -4.68 118.95 121.09 1kee s ARG 326 Ca 0.01 -0.67 -0.30 0.00 -0.47 0.00 0.00 55.73 54.30 1kee s ARG 326 Cb -0.15 -2.56 -0.03 0.00 -0.57 0.00 0.00 34.95 31.64 1kee s ARG 326 CO -0.09 0.62 1.17 0.08 -1.08 0.00 0.00 175.30 175.99 1kee s VAL 327 N -0.99 4.31 -0.10 4.99 1.01 -1.26 -0.93 120.40 127.44 1kee s VAL 327 Ca 0.17 1.64 0.11 0.00 0.00 0.00 0.00 61.98 63.89 1kee s VAL 327 Cb -0.11 -4.05 -0.15 0.00 0.00 0.00 0.00 36.38 32.07 1kee s VAL 327 CO 0.07 0.02 0.08 0.35 0.00 0.00 0.00 175.10 175.63 1kee n THR 328 N 4.47 0.64 -3.76 3.92 -2.24 -0.33 -4.87 114.28 112.11 1kee n THR 328 Ca 0.10 -0.45 -0.13 0.00 -2.27 0.00 0.00 64.05 61.30 1kee n THR 328 Cb 0.47 -0.53 -0.10 0.00 -2.10 0.00 0.00 70.33 68.06 1kee n THR 328 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1kee s HIS 329 N -2.38 -0.30 0.07 4.78 3.76 -1.19 -2.15 115.29 117.88 1kee s HIS 329 Ca -0.05 0.69 0.04 0.00 -0.15 0.00 0.00 55.06 55.58 1kee s HIS 329 Cb 0.04 0.11 -0.03 0.00 1.11 0.00 0.00 32.58 33.82 1kee s HIS 329 CO 0.48 -0.24 -0.11 0.15 -0.85 0.00 0.00 174.74 174.17 1kee s LYS 330 N -0.29 0.72 0.22 1.40 1.02 -0.95 -0.05 119.74 121.81 1kee s LYS 330 Ca -0.04 -0.95 -0.30 0.00 0.02 0.00 0.00 55.97 54.70 1kee s LYS 330 Cb -0.03 -0.54 -0.08 0.00 -0.52 0.00 0.00 37.83 36.65 1kee s LYS 330 CO 0.02 0.10 0.98 0.45 -0.92 0.00 0.00 175.35 175.98 1kee s SER 331 N -1.90 7.53 0.09 2.83 0.15 -0.00 -0.82 113.70 121.58 1kee s SER 331 Ca -0.03 1.99 0.26 0.00 0.70 0.00 0.00 55.95 58.88 1kee s SER 331 Cb -0.08 -2.61 0.79 0.00 -1.71 0.00 0.00 66.02 62.41 1kee s SER 331 CO 0.01 0.04 1.67 0.18 1.20 0.00 0.00 173.24 176.34 1kee n LEU 332 N 1.71 0.49 -0.04 3.45 4.32 0.13 -0.26 117.00 126.80 1kee n LEU 332 Ca -0.01 0.38 -0.15 0.00 -0.02 0.00 0.00 56.01 56.21 1kee n LEU 332 Cb 0.47 -0.33 -0.13 0.00 -1.62 0.00 0.00 43.42 41.81 1kee n LEU 332 CO 0.51 -0.05 0.34 -0.26 -1.22 0.00 0.00 177.39 176.71 1kee h PHE 333 N 0.00 0.14 0.00 -1.77 0.04 -1.92 -3.42 116.94 110.01 1kee h PHE 333 Ca 0.00 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.68 1kee h PHE 333 Cb 0.63 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.77 1kee h PHE 333 CO 0.00 1.02 0.00 -0.40 -0.60 0.00 0.00 178.31 178.33 1kee n ASP 334 N -4.52 0.34 0.00 2.17 3.85 -1.24 -5.01 116.55 112.14 1kee n ASP 334 Ca -0.11 -0.97 0.00 0.00 -0.71 0.00 0.00 54.79 53.01 1kee n ASP 334 Cb 0.53 0.01 0.00 0.00 -1.35 0.00 0.00 41.12 40.32 1kee n ASP 334 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1kee n GLY 335 N 0.01 1.20 3.74 6.12 0.00 0.63 -4.97 105.19 111.93 1kee n GLY 335 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1kee n GLY 335 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kee s THR 336 N -3.14 2.89 0.09 2.61 -4.23 -1.26 -4.45 115.64 108.15 1kee s THR 336 Ca 0.00 0.34 -0.31 0.00 -1.18 0.00 0.00 61.69 60.55 1kee s THR 336 Cb 0.00 -2.76 -0.08 0.00 1.34 0.00 0.00 72.50 71.00 1kee s THR 336 CO 0.00 -0.33 1.51 -0.22 -0.54 0.00 0.00 174.62 175.04 1kee s LEU 337 N -5.66 4.36 0.00 4.79 2.96 -1.26 -0.82 118.68 123.04 1kee s LEU 337 Ca 0.66 2.40 0.00 0.00 -0.22 0.00 0.00 54.13 56.97 1kee s LEU 337 Cb -0.21 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.90 1kee s LEU 337 CO 0.51 -0.78 0.00 0.00 -1.32 0.00 0.00 176.35 174.76 1kee n GLN 338 N 4.72 0.83 -3.58 1.98 1.13 0.93 -4.70 117.38 118.70 1kee n GLN 338 Ca 0.14 0.00 -0.14 0.00 -1.94 0.00 0.00 57.00 55.06 1kee n GLN 338 Cb 0.41 -0.94 -0.05 0.00 0.11 0.00 0.00 30.24 29.77 1kee n GLN 338 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1kee s GLY 339 N -1.87 -0.43 0.00 1.08 0.00 -0.69 0.18 107.32 105.58 1kee s GLY 339 Ca 0.00 0.63 -0.23 0.00 0.00 0.00 0.00 44.72 45.12 1kee s GLY 339 CO 0.00 0.33 0.52 -0.26 0.00 0.00 0.00 173.10 173.69 1kee s ILE 340 N -2.35 0.03 0.03 0.90 -4.36 -0.97 -1.19 121.20 113.29 1kee s ILE 340 Ca -0.06 -0.23 0.02 0.00 -0.26 0.00 0.00 60.65 60.12 1kee s ILE 340 Cb -0.01 -0.90 -0.02 0.00 1.25 0.00 0.00 42.46 42.78 1kee s ILE 340 CO -0.01 -0.13 -0.06 -2.28 0.24 0.00 0.00 174.94 172.70 1kee s HIS 341 N -1.81 0.55 -0.01 1.37 2.46 -0.11 -1.59 115.29 116.16 1kee s HIS 341 Ca -0.09 -0.43 -0.29 0.00 0.47 0.00 0.00 55.06 54.72 1kee s HIS 341 Cb -0.01 -0.34 -0.03 0.00 -0.13 0.00 0.00 32.58 32.06 1kee s HIS 341 CO 0.03 -0.09 0.92 1.03 -2.47 0.00 0.00 174.74 174.17 1kee s ARG 342 N -1.31 4.54 0.40 2.88 1.81 0.20 -1.33 118.95 126.15 1kee s ARG 342 Ca -0.09 1.31 0.17 0.00 -1.72 0.00 0.00 55.73 55.40 1kee s ARG 342 Cb -0.09 -3.45 0.83 0.00 -0.45 0.00 0.00 34.95 31.79 1kee s ARG 342 CO 0.00 -0.01 1.84 1.79 -0.68 0.00 0.00 175.30 178.24 1kee h THR 343 N 4.75 1.03 -0.00 0.02 1.35 -1.03 -3.21 112.91 115.82 1kee h THR 343 Ca -0.41 -1.24 0.00 0.00 -0.55 0.00 0.00 66.41 64.21 1kee h THR 343 Cb 1.22 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 1kee h THR 343 CO 0.75 0.33 -0.42 -0.90 -0.25 0.00 0.00 175.52 175.03 1kee n ASP 344 N -3.84 0.76 -4.25 5.36 3.85 -1.26 -5.03 116.55 112.14 1kee n ASP 344 Ca -0.01 -0.88 -0.14 0.00 -0.71 0.00 0.00 54.79 53.05 1kee n ASP 344 Cb 0.41 0.83 -0.10 0.00 -1.35 0.00 0.00 41.12 40.92 1kee n ASP 344 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1kee s LYS 345 N -1.85 1.12 -1.50 0.11 -0.14 -1.21 -5.03 119.74 111.25 1kee s LYS 345 Ca 0.06 -1.54 -0.10 0.00 -1.36 0.00 0.00 55.97 53.02 1kee s LYS 345 Cb 0.08 -0.29 0.01 0.00 -1.68 0.00 0.00 37.83 35.95 1kee s LYS 345 CO 0.39 -0.13 2.55 -0.35 -0.76 0.00 0.00 175.35 177.06 1kee n PRO 346 N -0.25 3.59 -3.78 -1.68 -0.04 -1.26 -4.18 135.00 127.41 1kee n PRO 346 Ca -0.06 -2.65 -0.13 0.00 -0.04 0.00 0.00 63.50 60.61 1kee n PRO 346 Cb 0.63 -2.93 -0.14 0.00 -0.04 0.00 0.00 33.50 31.03 1kee n PRO 346 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kee s ALA 347 N 1.76 -0.32 0.11 0.55 0.00 -1.26 -1.08 121.76 121.53 1kee s ALA 347 Ca 0.58 0.58 -0.20 0.00 0.00 0.00 0.00 51.96 52.92 1kee s ALA 347 Cb 0.16 -0.38 0.05 0.00 0.00 0.00 0.00 23.12 22.95 1kee s ALA 347 CO -0.07 -0.12 0.49 -0.59 0.00 0.00 0.00 175.76 175.47 1kee s PHE 348 N 0.74 -0.36 0.17 0.00 -0.00 -0.78 0.62 117.98 118.36 1kee s PHE 348 Ca -0.05 0.18 -0.05 0.00 -0.00 0.00 0.00 56.93 57.00 1kee s PHE 348 Cb -0.07 0.37 -0.03 0.00 -0.00 0.00 0.00 43.02 43.29 1kee s PHE 348 CO -0.04 -0.73 0.19 -1.54 -0.00 0.00 0.00 175.22 173.11 1kee s SER 349 N -2.55 0.14 -0.03 1.98 1.04 -0.62 -2.32 113.70 111.35 1kee s SER 349 Ca 0.00 -1.10 0.01 0.00 0.48 0.00 0.00 55.95 55.34 1kee s SER 349 Cb 0.00 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.53 1kee s SER 349 CO -0.09 -0.85 -0.05 0.12 0.98 0.00 0.00 173.24 173.34 1kee s PHE 350 N -4.04 0.66 0.17 5.02 5.36 -0.67 -2.30 117.98 122.17 1kee s PHE 350 Ca 0.25 -0.16 -0.04 0.00 -0.96 0.00 0.00 56.93 56.02 1kee s PHE 350 Cb 0.05 -0.54 0.03 0.00 -0.34 0.00 0.00 43.02 42.22 1kee s PHE 350 CO 0.04 -0.11 1.43 0.37 -1.46 0.00 0.00 175.22 175.48 1kee h GLN 351 N 6.71 0.52 0.00 10.12 5.75 0.15 -3.40 115.11 134.97 1kee h GLN 351 Ca -0.35 -0.40 0.00 0.00 -0.15 0.00 0.00 58.65 57.75 1kee h GLN 351 Cb 1.16 0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.79 1kee h GLN 351 CO 0.49 1.02 0.00 0.41 -2.65 0.00 0.00 178.83 178.10 1kee n GLY 352 N 0.50 -2.17 2.98 2.39 0.00 -1.26 -4.84 105.19 102.79 1kee n GLY 352 Ca -0.05 -1.46 -0.31 0.00 0.00 0.00 0.00 46.02 44.21 1kee n GLY 352 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kee s HIS 353 N -0.67 3.38 0.50 1.61 3.76 -0.06 -4.94 115.29 118.87 1kee s HIS 353 Ca 0.00 -3.09 0.17 0.00 -0.15 0.00 0.00 55.06 51.99 1kee s HIS 353 Cb 0.00 -2.88 1.22 0.00 1.11 0.00 0.00 32.58 32.03 1kee s HIS 353 CO 0.00 -0.81 2.07 -1.35 -0.85 0.00 0.00 174.74 173.80 1kee h PRO 354 N 6.89 0.13 0.00 8.40 0.11 -1.87 0.07 132.00 145.73 1kee h PRO 354 Ca -0.07 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1kee h PRO 354 Cb 0.94 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1kee h PRO 354 CO 0.64 0.08 0.00 -0.85 -0.21 0.00 0.00 178.00 177.66 1kee n GLU 355 N -4.48 0.33 0.00 1.05 0.00 -1.26 -3.24 120.64 113.04 1kee n GLU 355 Ca 0.03 0.04 0.00 0.00 0.00 0.00 0.00 57.16 57.23 1kee n GLU 355 Cb 0.26 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.20 1kee n GLU 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1kee n ALA 356 N -1.31 0.00 -2.82 -1.84 0.00 0.01 -4.81 120.51 109.74 1kee n ALA 356 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.54 1kee n ALA 356 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.68 1kee n ALA 356 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1kee n SER 357 N 1.78 -7.09 -4.95 0.00 2.88 -1.26 -4.80 113.62 100.18 1kee n SER 357 Ca 0.00 0.05 -0.24 0.00 -1.33 0.00 0.00 58.87 57.35 1kee n SER 357 Cb 0.00 -4.78 0.04 0.00 -0.75 0.00 0.00 64.21 58.73 1kee n SER 357 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1kee s PRO 358 N -2.88 2.55 0.00 -1.46 0.04 -1.26 -4.77 135.00 127.22 1kee s PRO 358 Ca 0.04 -0.43 0.00 0.00 0.04 0.00 0.00 61.00 60.65 1kee s PRO 358 Cb -0.01 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.18 1kee s PRO 358 CO 0.66 -0.84 0.00 0.41 0.04 0.00 0.00 177.00 177.27 1kee n GLY 359 N -2.55 2.34 3.75 0.56 0.00 -1.26 -4.82 105.19 103.21 1kee n GLY 359 Ca 0.07 -1.99 -0.37 0.00 0.00 0.00 0.00 46.02 43.72 1kee n GLY 359 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1kee s PRO 360 N -1.72 3.20 0.00 1.61 0.02 -1.26 -4.89 135.00 131.97 1kee s PRO 360 Ca 0.00 2.01 0.18 0.00 0.02 0.00 0.00 61.00 63.20 1kee s PRO 360 Cb 0.00 -2.18 0.59 0.00 0.02 0.00 0.00 34.50 32.93 1kee s PRO 360 CO 0.00 -1.07 1.44 0.72 -0.33 0.00 0.00 177.00 177.77 1kee n HIS 361 N -1.10 0.33 -0.33 6.54 8.25 -1.26 -4.48 115.22 123.17 1kee n HIS 361 Ca 0.11 -0.17 0.19 0.00 -0.26 0.00 0.00 57.72 57.59 1kee n HIS 361 Cb 0.47 0.00 0.44 0.00 1.12 0.00 0.00 29.99 32.02 1kee n HIS 361 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1kee h ASP 362 N 2.34 0.57 0.05 0.41 3.45 -1.92 -2.49 116.42 118.83 1kee h ASP 362 Ca 0.00 0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.55 1kee h ASP 362 Cb 0.52 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.29 1kee h ASP 362 CO 0.00 0.14 -0.04 0.00 -1.57 0.00 0.00 179.24 177.77 1kee n ALA 363 N -2.41 2.67 0.25 3.45 0.00 -1.26 -4.38 120.51 118.83 1kee n ALA 363 Ca 0.25 -0.39 0.18 0.00 0.00 0.00 0.00 53.44 53.47 1kee n ALA 363 Cb 0.76 -1.22 0.88 0.00 0.00 0.00 0.00 19.45 19.88 1kee n ALA 363 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kee h ALA 364 N 4.16 1.60 0.00 0.00 0.00 -1.42 -1.23 119.26 122.37 1kee h ALA 364 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1kee h ALA 364 Cb 0.42 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1kee h ALA 364 CO 0.00 -0.29 0.00 -2.30 0.00 0.00 0.00 179.25 176.66 1kee n PRO 365 N -3.47 0.05 0.25 0.00 -0.01 -1.26 -2.10 135.00 128.47 1kee n PRO 365 Ca 0.01 0.37 0.07 0.00 -0.01 0.00 0.00 63.50 63.94 1kee n PRO 365 Cb 0.33 -1.62 0.61 0.00 -0.01 0.00 0.00 33.50 32.81 1kee n PRO 365 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 175.50 175.42 1kee h LEU 366 N 0.00 0.00 -0.31 2.45 4.07 -1.57 -1.69 115.31 118.26 1kee h LEU 366 Ca 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.89 1kee h LEU 366 Cb 0.21 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 1kee h LEU 366 CO 0.00 0.05 -0.07 -0.26 -1.08 0.00 0.00 178.44 177.08 1kee h PHE 367 N 0.00 0.67 -0.93 1.13 0.04 -1.64 -3.06 116.94 113.15 1kee h PHE 367 Ca -0.00 -0.14 0.16 0.00 2.80 0.00 0.00 57.97 60.79 1kee h PHE 367 Cb 0.09 -0.16 -0.10 0.00 2.20 0.00 0.00 35.95 37.98 1kee h PHE 367 CO 0.00 0.77 0.52 -0.44 -0.60 0.00 0.00 178.31 178.57 1kee h ASP 368 N 0.37 0.67 0.28 2.17 3.45 -1.43 0.22 116.42 122.15 1kee h ASP 368 Ca 0.08 0.09 -0.03 0.00 0.43 0.00 0.00 57.03 57.60 1kee h ASP 368 Cb 0.55 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 39.30 1kee h ASP 368 CO 0.03 0.26 -0.14 -0.74 -1.57 0.00 0.00 179.24 177.08 1kee h HIS 369 N 0.71 0.00 -0.04 4.55 2.76 -1.48 -1.63 115.15 120.02 1kee h HIS 369 Ca 0.52 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.66 1kee h HIS 369 Cb 0.75 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.71 1kee h HIS 369 CO -0.05 0.14 -0.06 0.35 -1.30 0.00 0.00 177.93 177.01 1kee h PHE 370 N 0.00 0.13 -0.98 5.26 3.57 -0.60 -3.07 116.94 121.26 1kee h PHE 370 Ca -0.00 -0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.54 1kee h PHE 370 Cb 0.32 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 38.96 1kee h PHE 370 CO 0.00 0.64 0.63 0.82 -2.23 0.00 0.00 178.31 178.16 1kee h ILE 371 N -0.41 1.00 -0.56 1.41 1.08 -0.50 -1.63 117.51 117.90 1kee h ILE 371 Ca 0.00 -0.36 0.06 0.00 -0.39 0.00 0.00 64.86 64.17 1kee h ILE 371 Cb 0.62 -0.14 -0.05 0.00 -3.07 0.00 0.00 36.82 34.18 1kee h ILE 371 CO 0.01 0.19 0.27 -0.33 -0.69 0.00 0.00 178.15 177.61 1kee h GLU 372 N 1.05 0.49 -0.90 2.37 5.08 -1.34 0.23 114.58 121.57 1kee h GLU 372 Ca 0.45 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 1kee h GLU 372 Cb 0.33 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 1kee h GLU 372 CO -0.21 0.33 0.58 -0.07 -1.00 0.00 0.00 179.01 178.64 1kee h LEU 373 N 0.51 1.04 -0.16 1.33 3.38 -1.24 0.11 115.31 120.30 1kee h LEU 373 Ca 0.26 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 58.06 1kee h LEU 373 Cb 0.21 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1kee h LEU 373 CO -0.20 0.77 -0.41 0.40 0.09 0.00 0.00 178.44 179.09 1kee h ILE 374 N 1.22 1.35 -0.49 1.22 2.04 -0.52 0.74 117.51 123.07 1kee h ILE 374 Ca 0.33 -1.68 -0.05 0.00 1.00 0.00 0.00 64.86 64.46 1kee h ILE 374 Cb -0.11 2.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1kee h ILE 374 CO -0.07 0.51 0.11 -0.33 0.00 0.00 0.00 178.15 178.37 1kee h GLU 375 N 0.19 0.79 -0.07 2.37 5.08 -0.34 -2.21 114.58 120.39 1kee h GLU 375 Ca -0.01 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.10 1kee h GLU 375 Cb 1.02 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1kee h GLU 375 CO 0.09 0.77 -0.24 0.37 -1.00 0.00 0.00 179.01 179.00 1kee h GLN 376 N 0.67 0.11 -0.29 2.33 4.15 -0.93 -0.99 115.11 120.16 1kee h GLN 376 Ca 0.15 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.44 1kee h GLN 376 Cb 0.35 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 1kee h GLN 376 CO 0.00 0.35 -0.23 -0.92 -1.93 0.00 0.00 178.83 176.11 1kee h TYR 377 N 0.10 0.61 0.00 3.99 5.03 -0.56 -2.76 116.97 123.38 1kee h TYR 377 Ca 0.02 -0.13 -0.08 0.00 2.58 0.00 0.00 58.73 61.12 1kee h TYR 377 Cb 0.49 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.61 1kee h TYR 377 CO 0.00 0.73 -0.38 0.00 -1.32 0.00 0.00 178.16 177.19 1kee h ARG 378 N 0.48 0.00 -0.37 1.82 3.08 -0.77 -3.03 114.38 115.59 1kee h ARG 378 Ca 0.07 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.05 1kee h ARG 378 Cb 0.66 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1kee h ARG 378 CO 0.05 0.38 -0.06 -0.22 -1.07 0.00 0.00 179.97 179.05 1kee h LYS 379 N 0.00 0.69 -0.00 0.04 3.64 -0.93 -3.51 116.57 116.50 1kee h LYS 379 Ca -0.00 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1kee h LYS 379 Cb 1.16 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1kee h LYS 379 CO 0.05 0.82 0.00 2.41 -2.27 0.00 0.00 179.45 180.46