#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 1.89 0.50 9.51 1.02 -1.26 -4.98 119.74 126.42 1kee s LYS 3 Ca 0.00 -2.11 -0.15 0.00 0.02 0.00 0.00 55.97 53.73 1kee s LYS 3 Cb 0.00 -3.42 -0.07 0.00 -0.52 0.00 0.00 37.83 33.82 1kee s LYS 3 CO 0.00 -1.05 0.94 -1.12 -0.92 0.00 0.00 175.35 173.20 1kee s SER 4 N 0.89 6.59 -0.03 2.83 0.01 -1.26 -1.45 113.70 121.28 1kee s SER 4 Ca 0.12 1.47 -0.20 0.00 1.31 0.00 0.00 55.95 58.65 1kee s SER 4 Cb -0.22 -2.47 0.04 0.00 0.21 0.00 0.00 66.02 63.59 1kee s SER 4 CO -0.05 -0.56 0.44 0.00 0.41 0.00 0.00 173.24 173.48 1kee s ALA 5 N -2.59 -1.13 -0.03 1.44 0.00 -1.08 -1.53 121.76 116.84 1kee s ALA 5 Ca 0.57 0.68 -0.08 0.00 0.00 0.00 0.00 51.96 53.12 1kee s ALA 5 Cb -0.10 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.08 1kee s ALA 5 CO 0.32 -0.30 0.19 -1.17 0.00 0.00 0.00 175.76 174.80 1kee s LEU 6 N -1.27 1.32 -0.12 0.00 2.96 0.24 -1.95 118.68 119.86 1kee s LEU 6 Ca -0.13 0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 1kee s LEU 6 Cb -0.03 0.78 0.02 0.00 0.50 0.00 0.00 46.19 47.46 1kee s LEU 6 CO 0.06 -0.28 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.45 1kee s LEU 7 N -0.86 1.67 -0.04 -0.68 2.96 -0.43 0.24 118.68 121.54 1kee s LEU 7 Ca -0.09 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.42 1kee s LEU 7 Cb -0.05 -1.09 -0.00 0.00 0.50 0.00 0.00 46.19 45.54 1kee s LEU 7 CO 0.02 -0.02 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.18 1kee s VAL 8 N 1.19 1.31 0.37 1.68 1.01 0.10 0.28 120.40 126.35 1kee s VAL 8 Ca -0.02 -0.65 -0.00 0.00 0.00 0.00 0.00 61.98 61.30 1kee s VAL 8 Cb -0.14 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1kee s VAL 8 CO -0.05 0.38 0.59 -0.76 0.00 0.00 0.00 175.10 175.26 1kee s LEU 9 N 0.05 3.93 0.24 3.92 1.43 0.24 -0.63 118.68 127.87 1kee s LEU 9 Ca -0.03 0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 53.52 1kee s LEU 9 Cb -0.11 -3.39 0.44 0.00 0.03 0.00 0.00 46.19 43.16 1kee s LEU 9 CO 0.02 -0.36 1.69 -0.33 0.23 0.00 0.00 176.35 177.59 1kee h GLU 10 N 0.65 0.26 0.00 1.70 5.08 -1.65 0.24 114.58 120.86 1kee h GLU 10 Ca -0.49 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1kee h GLU 10 Cb 1.22 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1kee h GLU 10 CO 0.61 0.17 0.00 -0.40 -1.00 0.00 0.00 179.01 178.39 1kee n ASP 11 N -5.15 0.00 0.00 1.42 3.85 -1.26 -4.85 116.55 110.56 1kee n ASP 11 Ca 0.13 -0.82 0.00 0.00 -0.71 0.00 0.00 54.79 53.40 1kee n ASP 11 Cb 0.44 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.21 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 0.31 2.33 3.68 6.12 0.00 0.84 -5.03 105.19 113.44 1kee n GLY 12 Ca 0.13 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.70 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 0.54 -4.85 2.61 -1.04 -1.25 -4.67 114.28 103.62 1kee n THR 13 Ca 0.00 -0.14 -0.32 0.00 -2.04 0.00 0.00 64.05 61.55 1kee n THR 13 Cb 0.00 -1.58 -0.13 0.00 -1.82 0.00 0.00 70.33 66.80 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 0.17 2.41 -0.14 -2.82 -0.21 -1.26 -0.59 119.66 117.22 1kee s GLN 14 Ca 0.72 -0.76 -0.01 0.00 0.02 0.00 0.00 55.36 55.34 1kee s GLN 14 Cb -0.64 -2.34 0.04 0.00 1.00 0.00 0.00 33.01 31.07 1kee s GLN 14 CO 0.44 0.61 -0.05 -0.06 -2.12 0.00 0.00 175.29 174.11 1kee s PHE 15 N -0.77 1.47 -0.16 0.91 0.08 0.14 -5.00 117.98 114.66 1kee s PHE 15 Ca 0.12 -0.86 -0.07 0.00 0.12 0.00 0.00 56.93 56.24 1kee s PHE 15 Cb -0.11 -1.21 -0.04 0.00 -0.57 0.00 0.00 43.02 41.09 1kee s PHE 15 CO 0.02 -0.55 0.09 -1.01 -0.10 0.00 0.00 175.22 173.66 1kee s HIS 16 N 1.71 3.36 0.00 0.36 3.76 -1.26 -1.32 115.29 121.90 1kee s HIS 16 Ca 0.02 0.25 0.00 0.00 -0.15 0.00 0.00 55.06 55.19 1kee s HIS 16 Cb -0.14 -2.02 0.00 0.00 1.11 0.00 0.00 32.58 31.53 1kee s HIS 16 CO -0.08 0.37 0.00 0.41 -0.85 0.00 0.00 174.74 174.60 1kee n GLY 17 N 2.94 3.72 3.31 -2.22 0.00 -0.82 -4.62 105.19 107.50 1kee n GLY 17 Ca -0.18 -0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 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 4.32 1.82 -0.01 1.61 3.52 -0.65 -2.64 118.95 126.93 1kee s ARG 18 Ca 0.00 -1.00 -0.28 0.00 -0.13 0.00 0.00 55.73 54.32 1kee s ARG 18 Cb 0.00 -1.90 -0.03 0.00 -1.56 0.00 0.00 34.95 31.45 1kee s ARG 18 CO 0.00 0.50 0.88 0.00 -0.81 0.00 0.00 175.30 175.87 1kee s ALA 19 N -0.72 3.23 0.00 6.12 0.00 -0.53 0.30 121.76 130.17 1kee s ALA 19 Ca 0.10 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.47 1kee s ALA 19 Cb -0.10 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.83 1kee s ALA 19 CO 0.01 -0.16 0.43 0.44 0.00 0.00 0.00 175.76 176.48 1kee n ILE 20 N 3.74 0.13 -1.58 0.00 -5.35 -0.79 -4.90 119.36 110.61 1kee n ILE 20 Ca 0.03 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 1kee n ILE 20 Cb 0.51 1.21 0.00 0.00 -1.74 0.00 0.00 39.64 39.61 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 -0.06 5.35 3.70 3.28 0.00 -1.24 -4.52 105.19 111.69 1kee n GLY 21 Ca 0.00 -1.34 -0.31 0.00 0.00 0.00 0.00 46.02 44.37 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 1.59 0.01 4.61 0.00 0.21 -4.78 121.76 121.40 1kee s ALA 22 Ca 0.00 0.35 -0.23 0.00 0.00 0.00 0.00 51.96 52.08 1kee s ALA 22 Cb 0.00 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.72 1kee s ALA 22 CO 0.00 -2.47 0.69 0.99 0.00 0.00 0.00 175.76 174.98 1kee s THR 23 N -2.75 4.86 -5.00 0.00 2.01 -1.26 -4.48 115.64 109.01 1kee s THR 23 Ca 0.65 1.45 0.00 0.00 0.31 0.00 0.00 61.69 64.10 1kee s THR 23 Cb -0.20 -4.03 0.00 0.00 0.01 0.00 0.00 72.50 68.27 1kee s THR 23 CO 0.58 0.36 0.00 0.61 -0.69 0.00 0.00 174.62 175.48 1kee n GLY 24 N 2.55 0.17 3.07 4.40 0.00 0.62 -4.97 105.19 111.04 1kee n GLY 24 Ca -0.04 -1.34 -0.13 0.00 0.00 0.00 0.00 46.02 44.51 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 0.92 -0.02 1.61 1.04 -1.26 0.88 113.70 112.86 1kee s SER 25 Ca 0.00 -0.58 0.01 0.00 0.48 0.00 0.00 55.95 55.86 1kee s SER 25 Cb 0.00 0.03 0.02 0.00 0.10 0.00 0.00 66.02 66.17 1kee s SER 25 CO 0.00 -0.21 -0.02 0.00 0.98 0.00 0.00 173.24 173.98 1kee s ALA 26 N -1.51 0.42 -0.01 5.32 0.00 -0.02 -4.96 121.76 121.00 1kee s ALA 26 Ca -0.08 0.01 0.06 0.00 0.00 0.00 0.00 51.96 51.95 1kee s ALA 26 Cb -0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 1kee s ALA 26 CO 0.00 -0.00 -0.20 0.08 0.00 0.00 0.00 175.76 175.64 1kee s VAL 27 N 0.64 1.56 -1.29 0.00 1.01 -1.26 0.65 120.40 121.71 1kee s VAL 27 Ca -0.07 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1kee s VAL 27 Cb -0.10 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 34.97 1kee s VAL 27 CO -0.01 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.12 1kee n GLY 28 N 2.52 -1.56 3.75 4.51 0.00 -0.52 -4.76 105.19 109.13 1kee n GLY 28 Ca -0.15 -1.09 -0.40 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.99 4.84 -0.10 1.61 2.12 -0.79 -0.17 118.70 124.22 1kee s GLU 29 Ca 0.00 1.48 -0.13 0.00 0.36 0.00 0.00 54.97 56.67 1kee s GLU 29 Cb 0.00 -3.28 -0.05 0.00 0.26 0.00 0.00 34.13 31.06 1kee s GLU 29 CO 0.00 0.51 0.32 0.08 -0.54 0.00 0.00 175.26 175.63 1kee s VAL 30 N -1.14 5.23 0.07 3.70 1.01 0.37 0.81 120.40 130.46 1kee s VAL 30 Ca 0.41 0.63 0.01 0.00 0.00 0.00 0.00 61.98 63.02 1kee s VAL 30 Cb -0.26 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1kee s VAL 30 CO 0.32 0.48 -0.05 0.68 0.00 0.00 0.00 175.10 176.53 1kee s VAL 31 N -0.27 0.46 -0.04 2.92 -7.23 -0.48 -4.13 120.40 111.63 1kee s VAL 31 Ca 0.19 -1.69 0.06 0.00 -1.81 0.00 0.00 61.98 58.74 1kee s VAL 31 Cb -0.14 -1.36 -0.02 0.00 0.56 0.00 0.00 36.38 35.42 1kee s VAL 31 CO 0.08 -0.82 -0.20 0.72 -0.31 0.00 0.00 175.10 174.56 1kee s PHE 32 N -3.23 2.51 -0.07 2.82 -0.12 -1.26 -0.40 117.98 118.23 1kee s PHE 32 Ca 0.05 -0.34 0.04 0.00 -0.05 0.00 0.00 56.93 56.63 1kee s PHE 32 Cb 0.03 -1.57 0.00 0.00 -0.63 0.00 0.00 43.02 40.85 1kee s PHE 32 CO -0.06 0.04 -0.20 1.21 -0.05 0.00 0.00 175.22 176.17 1kee s ASN 33 N -0.61 2.55 0.00 1.98 3.84 0.68 -4.50 114.94 118.88 1kee s ASN 33 Ca 0.09 -0.44 0.20 0.00 0.21 0.00 0.00 52.86 52.92 1kee s ASN 33 Cb -0.11 -1.00 0.80 0.00 -0.55 0.00 0.00 41.25 40.40 1kee s ASN 33 CO 0.00 0.14 1.57 0.35 -2.79 0.00 0.00 177.10 176.37 1kee n THR 34 N 3.43 0.18 -1.87 -5.21 -2.24 -0.61 -1.27 114.28 106.69 1kee n THR 34 Ca -0.20 -0.29 -0.43 0.00 -2.27 0.00 0.00 64.05 60.87 1kee n THR 34 Cb 0.52 0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.99 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 -1.57 6.21 0.45 3.42 0.01 -1.26 -4.76 113.70 116.20 1kee s SER 35 Ca 0.31 2.03 0.24 0.00 1.31 0.00 0.00 55.95 59.85 1kee s SER 35 Cb 0.17 -2.53 0.95 0.00 0.21 0.00 0.00 66.02 64.82 1kee s SER 35 CO 0.25 -1.33 1.84 0.24 0.41 0.00 0.00 173.24 174.65 1kee h MET 36 N 11.58 0.00 -4.99 12.44 2.86 -1.98 -3.43 114.93 131.41 1kee h MET 36 Ca -0.40 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 56.89 1kee h MET 36 Cb 1.20 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.71 1kee h MET 36 CO 0.97 0.22 -0.66 0.95 1.06 0.00 0.00 176.91 179.46 1kee s THR 37 N -3.69 0.90 0.00 2.22 -4.23 -1.26 -4.94 115.64 104.64 1kee s THR 37 Ca 0.00 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 1kee s THR 37 Cb 0.10 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.65 1kee s THR 37 CO 0.63 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.98 1kee n GLY 38 N -0.37 0.89 0.25 3.99 0.00 -1.26 -4.87 105.19 103.82 1kee n GLY 38 Ca -0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 0.15 -0.33 1.61 -0.00 -1.92 -1.03 116.97 115.44 1kee h TYR 39 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 58.73 58.77 1kee h TYR 39 Cb 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 36.73 36.75 1kee h TYR 39 CO 0.00 -0.09 0.20 0.37 -0.00 0.00 0.00 178.16 178.64 1kee h GLN 40 N 0.21 0.45 -0.67 0.10 4.15 -1.91 -1.37 115.11 116.08 1kee h GLN 40 Ca 0.35 -0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.79 1kee h GLN 40 Cb 0.57 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.11 1kee h GLN 40 CO -0.48 0.34 0.38 0.93 -1.93 0.00 0.00 178.83 178.07 1kee h GLU 41 N 0.43 0.69 -0.30 1.69 3.07 -1.35 -1.19 114.58 117.62 1kee h GLU 41 Ca 0.12 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.91 1kee h GLU 41 Cb 0.00 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 27.75 1kee h GLU 41 CO -0.02 0.46 0.08 0.82 -1.40 0.00 0.00 179.01 178.94 1kee h ILE 42 N 0.71 1.21 -0.16 3.13 2.04 -0.88 -2.72 117.51 120.84 1kee h ILE 42 Ca 0.30 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 65.42 1kee h ILE 42 Cb 0.16 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1kee h ILE 42 CO -0.17 0.23 -0.10 -0.07 0.00 0.00 0.00 178.15 178.04 1kee h LEU 43 N 0.32 0.23 -1.40 1.44 3.38 -0.83 -2.58 115.31 115.87 1kee h LEU 43 Ca 0.09 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1kee h LEU 43 Cb 0.27 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1kee h LEU 43 CO -0.00 0.36 0.00 0.35 0.09 0.00 0.00 178.44 179.24 1kee n THR 44 N -4.30 0.46 -2.88 0.22 -2.24 -0.49 -1.75 114.28 103.30 1kee n THR 44 Ca -0.01 -0.50 -0.41 0.00 -2.27 0.00 0.00 64.05 60.86 1kee n THR 44 Cb 0.25 0.30 -0.04 0.00 -2.10 0.00 0.00 70.33 68.74 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 -1.12 6.95 0.47 3.42 3.68 -0.97 -3.37 116.67 125.72 1kee s ASP 45 Ca 0.28 1.17 0.12 0.00 2.13 0.00 0.00 52.55 56.24 1kee s ASP 45 Cb 0.15 -2.46 1.07 0.00 -1.45 0.00 0.00 42.92 40.23 1kee s ASP 45 CO 0.20 -0.42 2.10 -0.65 0.13 0.00 0.00 175.17 176.53 1kee h PRO 46 N 7.37 0.26 0.00 4.34 0.11 -1.88 -1.82 132.00 140.38 1kee h PRO 46 Ca -0.28 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1kee h PRO 46 Cb 1.13 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1kee h PRO 46 CO 0.84 0.17 0.16 0.77 -0.21 0.00 0.00 178.00 179.74 1kee h SER 47 N 0.27 0.00 -0.38 -2.05 0.02 -1.84 -0.84 113.55 108.74 1kee h SER 47 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1kee h SER 47 Cb -0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1kee h SER 47 CO -0.02 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.45 1kee n TYR 48 N -2.27 0.49 -1.66 3.45 4.01 -0.68 -4.10 117.16 116.40 1kee n TYR 48 Ca -0.01 -0.25 -0.48 0.00 -0.16 0.00 0.00 57.90 57.00 1kee n TYR 48 Cb 0.19 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.18 1kee n TYR 48 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1kee n SER 49 N 1.05 2.85 -0.40 7.72 2.88 -0.32 -1.04 113.62 126.36 1kee n SER 49 Ca 0.18 1.07 -0.05 0.00 -1.33 0.00 0.00 58.87 58.74 1kee n SER 49 Cb 0.49 -1.37 -0.02 0.00 -0.75 0.00 0.00 64.21 62.56 1kee n SER 49 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1kee n ARG 50 N 3.75 -0.51 -4.98 -1.46 1.74 -1.25 -4.72 116.66 109.23 1kee n ARG 50 Ca 0.18 0.61 -0.31 0.00 -0.77 0.00 0.00 57.85 57.56 1kee n ARG 50 Cb 0.27 -4.32 -0.15 0.00 -1.02 0.00 0.00 32.46 27.24 1kee n ARG 50 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1kee s GLN 51 N -2.13 1.97 -0.41 5.56 -0.21 -0.21 -1.89 119.66 122.35 1kee s GLN 51 Ca 0.00 -1.02 -0.15 0.00 0.02 0.00 0.00 55.36 54.21 1kee s GLN 51 Cb 0.00 -2.05 0.02 0.00 1.00 0.00 0.00 33.01 31.98 1kee s GLN 51 CO 0.00 0.54 0.33 0.42 -2.12 0.00 0.00 175.29 174.45 1kee s ILE 52 N -0.77 5.23 -0.34 1.08 1.01 0.24 -0.13 121.20 127.52 1kee s ILE 52 Ca 0.12 -0.57 -0.26 0.00 0.00 0.00 0.00 60.65 59.93 1kee s ILE 52 Cb -0.10 -3.94 0.01 0.00 0.01 0.00 0.00 42.46 38.44 1kee s ILE 52 CO 0.02 -0.32 0.95 -0.69 0.00 0.00 0.00 174.94 174.90 1kee s VAL 53 N 1.78 4.60 -0.17 2.92 1.01 0.31 -1.38 120.40 129.47 1kee s VAL 53 Ca 0.07 1.40 -0.05 0.00 0.00 0.00 0.00 61.98 63.39 1kee s VAL 53 Cb -0.19 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 31.84 1kee s VAL 53 CO 0.11 -0.45 0.01 -0.89 0.00 0.00 0.00 175.10 173.88 1kee s THR 54 N 3.42 4.31 -0.22 3.92 2.01 0.46 0.81 115.64 130.36 1kee s THR 54 Ca 0.40 -0.21 -0.07 0.00 0.31 0.00 0.00 61.69 62.12 1kee s THR 54 Cb -0.13 -2.92 -0.03 0.00 0.01 0.00 0.00 72.50 69.43 1kee s THR 54 CO 0.16 0.48 0.07 -0.76 -0.69 0.00 0.00 174.62 173.88 1kee s LEU 55 N 0.36 3.58 0.33 4.42 1.43 -0.82 -0.23 118.68 127.75 1kee s LEU 55 Ca -0.01 -0.09 0.08 0.00 -1.03 0.00 0.00 54.13 53.08 1kee s LEU 55 Cb -0.13 -1.94 0.59 0.00 0.03 0.00 0.00 46.19 44.74 1kee s LEU 55 CO 0.02 0.05 1.79 0.71 0.23 0.00 0.00 176.35 179.15 1kee h THR 56 N 5.28 1.25 -2.69 5.49 1.35 -1.52 -3.42 112.91 118.66 1kee h THR 56 Ca -0.37 -1.21 -0.55 0.00 -0.55 0.00 0.00 66.41 63.73 1kee h THR 56 Cb 1.18 1.48 -0.02 0.00 -1.73 0.00 0.00 68.15 69.05 1kee h THR 56 CO 0.62 0.37 1.05 -0.47 -0.25 0.00 0.00 175.52 176.83 1kee s TYR 57 N -4.40 2.18 0.18 4.73 5.04 -1.26 -4.91 117.35 118.91 1kee s TYR 57 Ca -0.05 0.40 -0.14 0.00 -2.44 0.00 0.00 57.07 54.84 1kee s TYR 57 Cb 0.14 -3.83 0.18 0.00 0.35 0.00 0.00 41.96 38.80 1kee s TYR 57 CO 0.76 -3.31 1.69 -1.00 -1.34 0.00 0.00 175.55 172.34 1kee h PRO 58 N 9.33 0.11 -4.98 4.97 0.13 -1.93 -3.40 132.00 136.24 1kee h PRO 58 Ca -0.36 -0.01 -0.68 0.00 -0.87 0.00 0.00 66.00 64.09 1kee h PRO 58 Cb 1.16 -0.03 -0.18 0.00 0.13 0.00 0.00 31.00 32.09 1kee h PRO 58 CO 0.96 0.08 -0.18 -1.01 -0.23 0.00 0.00 178.00 177.62 1kee s HIS 59 N -6.17 3.17 -0.19 1.56 3.76 -1.26 -0.46 115.29 115.70 1kee s HIS 59 Ca -0.13 -0.19 0.01 0.00 -0.15 0.00 0.00 55.06 54.59 1kee s HIS 59 Cb 0.16 -2.88 0.03 0.00 1.11 0.00 0.00 32.58 31.00 1kee s HIS 59 CO 0.72 -0.63 -0.15 0.42 -0.85 0.00 0.00 174.74 174.25 1kee s ILE 60 N 2.20 1.92 0.00 0.60 -1.09 -0.94 -4.63 121.20 119.26 1kee s ILE 60 Ca 0.14 -1.03 0.00 0.00 -2.23 0.00 0.00 60.65 57.53 1kee s ILE 60 Cb -0.16 -1.84 0.00 0.00 -1.58 0.00 0.00 42.46 38.87 1kee s ILE 60 CO 0.14 0.35 0.00 0.61 -1.23 0.00 0.00 174.94 174.81 1kee n GLY 61 N 4.62 0.65 0.38 6.18 0.00 -1.26 -4.25 105.19 111.51 1kee n GLY 61 Ca -0.18 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.04 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 0.57 -0.41 1.61 2.35 -1.83 -1.35 115.58 116.51 1kee h ASN 62 Ca 0.00 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1kee h ASN 62 Cb 0.00 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1kee h ASN 62 CO 0.00 0.11 0.00 1.33 -1.65 0.00 0.00 177.43 177.22 1kee n VAL 63 N -4.74 0.79 -4.57 2.81 0.24 -1.26 0.31 118.33 111.92 1kee n VAL 63 Ca 0.26 -0.90 0.00 0.00 -2.04 0.00 0.00 64.34 61.66 1kee n VAL 63 Cb 0.80 0.67 0.00 0.00 -1.47 0.00 0.00 33.84 33.85 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 0.99 1.42 3.32 7.63 0.00 -0.51 -4.18 105.19 113.87 1kee n GLY 64 Ca 0.16 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 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 0.06 -0.05 2.61 -4.23 -0.30 -4.72 115.64 109.03 1kee s THR 65 Ca 0.00 -1.49 -0.29 0.00 -1.18 0.00 0.00 61.69 58.72 1kee s THR 65 Cb 0.00 -1.92 0.09 0.00 1.34 0.00 0.00 72.50 72.01 1kee s THR 65 CO 0.00 -0.29 0.78 0.54 -0.54 0.00 0.00 174.62 175.11 1kee s ASN 66 N -2.99 -0.53 0.25 3.99 2.20 -1.26 0.62 114.94 117.21 1kee s ASN 66 Ca 0.20 0.44 -0.06 0.00 -0.94 0.00 0.00 52.86 52.50 1kee s ASN 66 Cb 0.04 0.46 0.29 0.00 -2.00 0.00 0.00 41.25 40.04 1kee s ASN 66 CO 0.01 -0.59 1.90 0.44 -2.94 0.00 0.00 177.10 175.93 1kee h ASP 67 N 2.61 1.06 -0.15 3.54 3.45 -1.98 -1.55 116.42 123.40 1kee h ASP 67 Ca -0.25 -0.01 0.04 0.00 0.43 0.00 0.00 57.03 57.24 1kee h ASP 67 Cb 1.18 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 39.70 1kee h ASP 67 CO 0.36 0.73 0.18 0.00 -1.57 0.00 0.00 179.24 178.94 1kee h ALA 68 N 1.38 1.75 -0.43 3.45 0.00 -1.97 -0.74 119.26 122.69 1kee h ALA 68 Ca 0.37 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 1kee h ALA 68 Cb -0.04 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1kee h ALA 68 CO -0.11 -0.26 0.06 -0.25 0.00 0.00 0.00 179.25 178.69 1kee n ASP 69 N -3.77 4.16 -4.70 0.00 10.43 -0.58 -4.85 116.55 117.24 1kee n ASP 69 Ca 0.01 -2.70 -0.36 0.00 2.57 0.00 0.00 54.79 54.31 1kee n ASP 69 Cb 0.29 -0.64 -0.08 0.00 1.84 0.00 0.00 41.12 42.53 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 -2.22 4.16 0.00 -1.24 2.02 -0.29 -3.18 118.70 117.95 1kee s GLU 70 Ca 0.38 -0.17 0.17 0.00 0.02 0.00 0.00 54.97 55.36 1kee s GLU 70 Cb 0.29 -3.47 0.52 0.00 0.10 0.00 0.00 34.13 31.57 1kee s GLU 70 CO 0.10 0.19 1.41 0.39 0.02 0.00 0.00 175.26 177.38 1kee n GLU 71 N 3.84 1.97 -3.76 1.61 -0.58 -1.26 -4.86 120.64 117.60 1kee n GLU 71 Ca -0.15 -1.48 0.01 0.00 -0.42 0.00 0.00 57.16 55.13 1kee n GLU 71 Cb 0.52 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 30.01 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 -1.26 -0.04 0.38 1.62 1.04 -1.22 -1.44 113.70 112.79 1kee s SER 72 Ca 0.31 -0.21 0.26 0.00 0.48 0.00 0.00 55.95 56.80 1kee s SER 72 Cb 0.17 0.20 1.38 0.00 0.10 0.00 0.00 66.02 67.86 1kee s SER 72 CO 0.23 -0.38 1.81 0.77 0.98 0.00 0.00 173.24 176.65 1kee h SER 73 N 2.00 0.00 -3.13 7.02 4.64 -1.92 -3.46 113.55 118.71 1kee h SER 73 Ca -0.28 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.95 1kee h SER 73 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1kee h SER 73 CO 0.30 0.00 0.13 0.00 -0.87 0.00 0.00 176.83 176.39 1kee n GLN 74 N -2.43 0.92 -2.96 4.77 10.64 -1.26 -5.11 117.38 121.95 1kee n GLN 74 Ca -0.01 -2.22 -0.41 0.00 -1.83 0.00 0.00 57.00 52.53 1kee n GLN 74 Cb 0.08 2.54 -0.05 0.00 -0.86 0.00 0.00 30.24 31.95 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 4.86 -0.13 -0.39 1.01 -1.26 -4.46 120.40 117.66 1kee s VAL 75 Ca 0.18 1.33 0.19 0.00 0.00 0.00 0.00 61.98 63.68 1kee s VAL 75 Cb -0.03 -4.08 -0.21 0.00 0.00 0.00 0.00 36.38 32.06 1kee s VAL 75 CO 0.14 -0.11 0.56 1.41 0.00 0.00 0.00 175.10 177.10 1kee n HIS 76 N 6.00 0.46 -1.75 5.22 -0.00 -0.72 -4.92 115.22 119.52 1kee n HIS 76 Ca 0.03 0.15 -0.42 0.00 -0.00 0.00 0.00 57.72 57.49 1kee n HIS 76 Cb 0.48 -0.89 -0.01 0.00 -0.00 0.00 0.00 29.99 29.57 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 -2.42 2.38 -0.00 -1.41 0.00 -1.12 -3.44 120.51 114.50 1kee n ALA 77 Ca -0.13 0.37 -0.04 0.00 0.00 0.00 0.00 53.44 53.64 1kee n ALA 77 Cb 0.81 -2.43 0.18 0.00 0.00 0.00 0.00 19.45 18.01 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 4.17 0.53 -2.40 0.00 5.75 -0.66 -3.47 115.11 119.04 1kee h GLN 78 Ca -0.48 -0.20 0.13 0.00 -0.15 0.00 0.00 58.65 57.95 1kee h GLN 78 Cb 1.23 -0.03 -0.11 0.00 1.07 0.00 0.00 27.48 29.65 1kee h GLN 78 CO 0.74 0.74 0.46 0.20 -2.65 0.00 0.00 178.83 178.32 1kee s GLY 79 N -3.98 -0.34 -0.06 2.39 0.00 -1.20 -4.50 107.32 99.64 1kee s GLY 79 Ca -0.07 0.45 0.04 0.00 0.00 0.00 0.00 44.72 45.14 1kee s GLY 79 CO 0.80 0.13 -0.19 -2.27 0.00 0.00 0.00 173.10 171.57 1kee s LEU 80 N -2.76 1.94 -0.17 0.66 2.96 -1.12 -0.53 118.68 119.66 1kee s LEU 80 Ca 0.09 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.59 1kee s LEU 80 Cb -0.01 -1.11 0.02 0.00 0.50 0.00 0.00 46.19 45.59 1kee s LEU 80 CO -0.03 0.16 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.32 1kee s VAL 81 N 0.11 1.75 0.14 1.68 1.01 0.24 -0.93 120.40 124.39 1kee s VAL 81 Ca -0.07 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.14 1kee s VAL 81 Cb -0.13 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 1kee s VAL 81 CO 0.04 0.45 -0.01 0.27 0.00 0.00 0.00 175.10 175.84 1kee s ILE 82 N 1.41 0.59 -0.12 2.22 -4.36 -0.59 -1.95 121.20 118.41 1kee s ILE 82 Ca 0.04 -1.95 -0.26 0.00 -0.26 0.00 0.00 60.65 58.22 1kee s ILE 82 Cb -0.13 -1.96 -0.27 0.00 1.25 0.00 0.00 42.46 41.35 1kee s ILE 82 CO -0.11 -0.61 0.75 -0.09 0.24 0.00 0.00 174.94 175.12 1kee h ARG 83 N 2.81 0.10 -3.04 0.37 9.65 -1.76 -2.50 114.38 120.01 1kee h ARG 83 Ca -0.36 -0.17 -0.21 0.00 -1.10 0.00 0.00 59.98 58.14 1kee h ARG 83 Cb 1.19 0.06 -0.31 0.00 -1.39 0.00 0.00 29.97 29.53 1kee h ARG 83 CO 0.63 1.08 -0.51 0.34 2.80 0.00 0.00 179.97 184.31 1kee s ASP 84 N -6.53 -0.12 -0.36 -3.80 2.15 0.39 -1.03 116.67 107.37 1kee s ASP 84 Ca -0.18 0.49 -0.17 0.00 0.43 0.00 0.00 52.55 53.12 1kee s ASP 84 Cb -0.01 0.40 -0.00 0.00 -0.30 0.00 0.00 42.92 43.01 1kee s ASP 84 CO 0.73 -0.18 0.44 -0.22 -0.17 0.00 0.00 175.17 175.77 1kee s LEU 85 N 1.43 4.46 0.70 -1.34 2.96 -1.26 -2.21 118.68 123.43 1kee s LEU 85 Ca -0.08 -0.21 -0.16 0.00 -0.22 0.00 0.00 54.13 53.46 1kee s LEU 85 Cb -0.11 -2.46 0.02 0.00 0.50 0.00 0.00 46.19 44.14 1kee s LEU 85 CO -0.08 -0.44 1.25 -2.16 -1.32 0.00 0.00 176.35 173.59 1kee s PRO 86 N 2.21 2.28 0.30 0.98 0.04 -1.26 -4.92 135.00 134.63 1kee s PRO 86 Ca 0.15 1.91 0.01 0.00 0.04 0.00 0.00 61.00 63.10 1kee s PRO 86 Cb -0.16 -1.83 0.54 0.00 0.04 0.00 0.00 34.50 33.08 1kee s PRO 86 CO 0.13 -1.76 1.90 -0.07 0.04 0.00 0.00 177.00 177.24 1kee h LEU 87 N 0.05 0.91 -8.06 -3.56 4.07 -1.97 -3.44 115.31 103.31 1kee h LEU 87 Ca -0.49 0.01 -0.11 0.00 0.08 0.00 0.00 57.88 57.38 1kee h LEU 87 Cb 1.32 -0.18 -0.15 0.00 1.08 0.00 0.00 40.66 42.73 1kee h LEU 87 CO 0.51 0.57 -0.55 0.27 -1.08 0.00 0.00 178.44 178.16 1kee s ILE 88 N -5.91 0.19 0.09 1.22 -4.36 -1.26 -5.14 121.20 106.02 1kee s ILE 88 Ca -0.11 -1.54 -0.15 0.00 -0.26 0.00 0.00 60.65 58.58 1kee s ILE 88 Cb 0.20 -1.45 -0.06 0.00 1.25 0.00 0.00 42.46 42.39 1kee s ILE 88 CO 0.80 -0.84 0.50 0.00 0.24 0.00 0.00 174.94 175.64 1kee s ALA 89 N -3.90 3.63 -0.42 2.27 0.00 -1.26 -4.68 121.76 117.40 1kee s ALA 89 Ca 0.06 -0.14 0.05 0.00 0.00 0.00 0.00 51.96 51.93 1kee s ALA 89 Cb 0.07 -2.48 0.18 0.00 0.00 0.00 0.00 23.12 20.88 1kee s ALA 89 CO -0.10 0.46 0.38 0.45 0.00 0.00 0.00 175.76 176.96 1kee n SER 90 N 1.28 -0.68 -3.66 0.00 2.88 0.15 -4.90 113.62 108.68 1kee n SER 90 Ca -0.09 -2.44 -0.09 0.00 -1.33 0.00 0.00 58.87 54.92 1kee n SER 90 Cb 0.52 -0.37 -0.08 0.00 -0.75 0.00 0.00 64.21 63.52 1kee n SER 90 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1kee s ASN 91 N 0.02 -0.79 0.59 -3.46 3.84 -1.26 -4.76 114.94 109.12 1kee s ASN 91 Ca 0.33 1.33 0.29 0.00 0.21 0.00 0.00 52.86 55.02 1kee s ASN 91 Cb 0.05 1.25 1.47 0.00 -0.55 0.00 0.00 41.25 43.46 1kee s ASN 91 CO -0.18 -0.23 1.88 2.19 -2.79 0.00 0.00 177.10 177.97 1kee h PHE 92 N 6.53 0.00 0.00 0.43 -5.15 -1.98 -0.42 116.94 116.34 1kee h PHE 92 Ca -0.31 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.46 1kee h PHE 92 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.37 1kee h PHE 92 CO 0.18 0.00 -0.23 0.54 -2.00 0.00 0.00 178.31 176.80 1kee n ARG 93 N -3.65 0.16 -1.85 6.09 1.74 -1.26 -4.92 116.66 112.97 1kee n ARG 93 Ca 0.08 0.09 -0.41 0.00 -0.77 0.00 0.00 57.85 56.84 1kee n ARG 93 Cb 0.67 -1.65 -0.02 0.00 -1.02 0.00 0.00 32.46 30.45 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 -3.81 6.45 0.00 0.55 2.47 -0.17 -4.57 114.94 115.86 1kee s ASN 94 Ca 0.11 2.87 0.00 0.00 0.42 0.00 0.00 52.86 56.26 1kee s ASN 94 Cb 0.15 -2.63 0.00 0.00 -1.45 0.00 0.00 41.25 37.32 1kee s ASN 94 CO 0.63 -0.85 0.00 0.35 -3.72 0.00 0.00 177.10 173.50 1kee n THR 95 N 2.18 0.00 -3.64 -5.21 -2.24 0.20 -4.94 114.28 100.62 1kee n THR 95 Ca 0.08 -0.24 -0.08 0.00 -2.27 0.00 0.00 64.05 61.54 1kee n THR 95 Cb 0.38 0.76 -0.07 0.00 -2.10 0.00 0.00 70.33 69.30 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 -1.12 0.62 0.66 -0.78 2.12 -1.13 -4.99 118.70 114.07 1kee s GLU 96 Ca 0.00 0.91 -0.16 0.00 0.36 0.00 0.00 54.97 56.08 1kee s GLU 96 Cb 0.00 0.21 -0.00 0.00 0.26 0.00 0.00 34.13 34.60 1kee s GLU 96 CO 0.00 -0.10 1.17 0.16 -0.54 0.00 0.00 175.26 175.94 1kee s ASP 97 N 1.00 4.88 0.16 -1.70 1.47 -1.26 -1.15 116.67 120.08 1kee s ASP 97 Ca -0.05 2.23 -0.23 0.00 1.18 0.00 0.00 52.55 55.68 1kee s ASP 97 Cb -0.05 -2.58 0.06 0.00 -0.34 0.00 0.00 42.92 40.01 1kee s ASP 97 CO -0.11 -1.80 1.59 0.25 0.68 0.00 0.00 175.17 175.78 1kee h LEU 98 N 0.23 -1.13 -0.34 2.11 5.85 -1.84 0.36 115.31 120.54 1kee h LEU 98 Ca -0.48 0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.48 1kee h LEU 98 Cb 1.28 0.53 -0.05 0.00 0.37 0.00 0.00 40.66 42.79 1kee h LEU 98 CO 0.53 -0.33 0.07 -1.28 -0.34 0.00 0.00 178.44 177.09 1kee h SER 99 N -0.26 0.01 -0.70 1.25 0.87 -1.92 0.52 113.55 113.32 1kee h SER 99 Ca 0.17 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 1kee h SER 99 Cb 0.55 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.55 1kee h SER 99 CO -0.55 0.04 0.39 0.28 -0.53 0.00 0.00 176.83 176.46 1kee h SER 100 N 0.19 0.87 -0.33 6.23 0.02 -1.72 -0.69 113.55 118.11 1kee h SER 100 Ca 0.16 -0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1kee h SER 100 Cb 0.18 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1kee h SER 100 CO -0.21 0.71 0.20 0.22 -1.14 0.00 0.00 176.83 176.61 1kee h TYR 101 N 0.96 0.38 -0.29 3.45 3.20 -0.32 0.12 116.97 124.47 1kee h TYR 101 Ca 0.25 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.16 1kee h TYR 101 Cb 0.02 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.14 1kee h TYR 101 CO -0.01 0.23 0.10 -0.07 -1.64 0.00 0.00 178.16 176.78 1kee h LEU 102 N 0.41 0.11 -0.69 2.82 3.38 -0.41 0.26 115.31 121.20 1kee h LEU 102 Ca 0.13 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1kee h LEU 102 Cb -0.02 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1kee h LEU 102 CO -0.05 0.10 0.41 0.11 0.09 0.00 0.00 178.44 179.10 1kee h LYS 103 N 0.23 0.94 -0.81 1.13 1.57 -0.77 0.15 116.57 119.00 1kee h LYS 103 Ca 0.13 -0.09 0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1kee h LYS 103 Cb 0.09 -0.20 -0.05 0.00 0.08 0.00 0.00 32.23 32.16 1kee h LYS 103 CO -0.13 0.67 0.52 -0.09 -0.57 0.00 0.00 179.45 179.85 1kee h ARG 104 N 0.94 0.98 -0.21 3.15 2.43 0.02 -1.29 114.38 120.39 1kee h ARG 104 Ca 0.25 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1kee h ARG 104 Cb -0.02 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.31 1kee h ARG 104 CO -0.05 0.65 0.00 0.72 -1.51 0.00 0.00 179.97 179.78 1kee n HIS 105 N -4.59 0.28 -3.60 2.20 8.25 0.01 -4.90 115.22 112.87 1kee n HIS 105 Ca 0.10 -0.14 -0.23 0.00 -0.26 0.00 0.00 57.72 57.19 1kee n HIS 105 Cb 0.09 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.28 1kee n HIS 105 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1kee n ASN 106 N 0.15 -5.06 -4.77 0.41 3.02 -0.40 -4.92 115.26 103.70 1kee n ASN 106 Ca 0.10 -0.59 -0.36 0.00 -0.03 0.00 0.00 54.58 53.70 1kee n ASN 106 Cb 0.21 -4.90 -0.08 0.00 -0.61 0.00 0.00 39.78 34.41 1kee n ASN 106 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1kee s ILE 107 N -3.34 5.33 -0.29 2.41 -1.09 0.38 -4.80 121.20 119.79 1kee s ILE 107 Ca 0.44 0.15 -0.25 0.00 -2.23 0.00 0.00 60.65 58.76 1kee s ILE 107 Cb -0.20 -3.38 0.00 0.00 -1.58 0.00 0.00 42.46 37.30 1kee s ILE 107 CO 0.74 0.51 0.88 -0.69 -1.23 0.00 0.00 174.94 175.15 1kee s VAL 108 N -0.17 4.73 0.06 2.92 1.01 -1.26 0.66 120.40 128.35 1kee s VAL 108 Ca 0.10 1.45 0.03 0.00 0.00 0.00 0.00 61.98 63.55 1kee s VAL 108 Cb -0.12 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 1kee s VAL 108 CO 0.01 -0.25 -0.09 0.00 0.00 0.00 0.00 175.10 174.77 1kee s ALA 109 N 3.10 0.73 -0.01 5.51 0.00 -1.26 -2.79 121.76 127.03 1kee s ALA 109 Ca 0.36 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.45 1kee s ALA 109 Cb -0.14 0.04 -0.00 0.00 0.00 0.00 0.00 23.12 23.02 1kee s ALA 109 CO 0.11 -0.03 -0.06 -1.50 0.00 0.00 0.00 175.76 174.29 1kee s ILE 110 N -1.72 0.51 0.37 0.00 2.07 -0.11 -1.88 121.20 120.44 1kee s ILE 110 Ca -0.05 -0.26 0.00 0.00 -1.41 0.00 0.00 60.65 58.93 1kee s ILE 110 Cb -0.08 -0.45 -0.00 0.00 0.13 0.00 0.00 42.46 42.07 1kee s ILE 110 CO -0.00 0.15 0.00 0.00 -1.91 0.00 0.00 174.94 173.19 1kee n ALA 111 N 3.06 0.32 -2.12 1.50 0.00 0.15 -1.54 120.51 121.88 1kee n ALA 111 Ca -0.15 -1.67 -0.16 0.00 0.00 0.00 0.00 53.44 51.47 1kee n ALA 111 Cb 0.57 0.91 -0.02 0.00 0.00 0.00 0.00 19.45 20.91 1kee n ALA 111 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1kee n ASP 112 N -1.23 -4.79 -4.68 0.00 10.43 -0.20 -1.64 116.55 114.44 1kee n ASP 112 Ca -0.15 0.08 -0.23 0.00 2.57 0.00 0.00 54.79 57.05 1kee n ASP 112 Cb 0.47 -3.87 -0.07 0.00 1.84 0.00 0.00 41.12 39.49 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 -2.75 3.39 -1.22 0.53 -5.25 -1.22 -4.69 121.20 109.99 1kee s ILE 113 Ca 0.00 -1.83 -0.21 0.00 -0.99 0.00 0.00 60.65 57.62 1kee s ILE 113 Cb 0.00 -2.91 -0.03 0.00 2.95 0.00 0.00 42.46 42.47 1kee s ILE 113 CO 0.00 -0.32 1.85 -0.62 -1.79 0.00 0.00 174.94 174.06 1kee s ASP 114 N -3.73 5.72 0.60 4.36 3.68 -1.26 -4.37 116.67 121.68 1kee s ASP 114 Ca 0.33 -1.93 0.40 0.00 2.13 0.00 0.00 52.55 53.47 1kee s ASP 114 Cb -0.05 -2.59 2.04 0.00 -1.45 0.00 0.00 42.92 40.87 1kee s ASP 114 CO 0.21 -2.35 2.21 0.71 0.13 0.00 0.00 175.17 176.08 1kee h THR 115 N 5.98 0.00 -0.08 1.71 1.35 -1.93 -1.66 112.91 118.29 1kee h THR 115 Ca 0.30 -0.14 -0.19 0.00 -0.55 0.00 0.00 66.41 65.83 1kee h THR 115 Cb 0.92 1.09 -0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1kee h THR 115 CO 1.31 0.00 -0.75 -0.09 -0.25 0.00 0.00 175.52 175.75 1kee h ARG 116 N 0.00 0.42 -0.19 4.72 2.43 -1.91 0.41 114.38 120.26 1kee h ARG 116 Ca 0.00 -0.35 -0.09 0.00 -0.81 0.00 0.00 59.98 58.73 1kee h ARG 116 Cb 0.14 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1kee h ARG 116 CO 0.00 0.99 -0.23 -0.22 -1.51 0.00 0.00 179.97 179.01 1kee h LYS 117 N 0.28 0.48 -0.31 0.20 3.64 -1.72 -0.36 116.57 118.79 1kee h LYS 117 Ca -0.03 -0.27 0.01 0.00 -1.27 0.00 0.00 60.65 59.09 1kee h LYS 117 Cb 1.33 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.15 1kee h LYS 117 CO 0.13 0.85 0.19 1.25 -2.27 0.00 0.00 179.45 179.60 1kee h LEU 118 N 0.14 0.31 0.16 5.20 5.85 -1.40 -1.61 115.31 123.96 1kee h LEU 118 Ca 0.02 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1kee h LEU 118 Cb 0.78 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1kee h LEU 118 CO 0.05 0.23 -0.11 0.74 -0.34 0.00 0.00 178.44 179.01 1kee h THR 119 N 0.39 0.76 -0.00 1.05 2.02 -0.81 -0.99 112.91 115.32 1kee h THR 119 Ca 0.12 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1kee h THR 119 Cb -0.01 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1kee h THR 119 CO -0.05 0.00 0.00 0.03 0.37 0.00 0.00 175.52 175.87 1kee h ARG 120 N -0.27 0.00 -0.10 6.66 3.08 -0.90 -0.32 114.38 122.53 1kee h ARG 120 Ca -0.01 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1kee h ARG 120 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1kee h ARG 120 CO 0.00 0.00 -0.18 1.25 -1.07 0.00 0.00 179.97 179.97 1kee h LEU 121 N 0.00 0.33 -0.78 3.04 5.85 -0.50 -1.32 115.31 121.94 1kee h LEU 121 Ca 0.00 -0.56 -0.08 0.00 0.84 0.00 0.00 57.88 58.09 1kee h LEU 121 Cb 0.01 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1kee h LEU 121 CO -0.00 0.82 0.08 -0.07 -0.34 0.00 0.00 178.44 178.93 1kee h LEU 122 N -0.15 0.96 0.03 2.25 3.38 -0.69 0.20 115.31 121.29 1kee h LEU 122 Ca 0.00 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1kee h LEU 122 Cb 0.77 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1kee h LEU 122 CO 0.04 0.97 -0.02 -0.09 0.09 0.00 0.00 178.44 179.44 1kee h ARG 123 N 0.94 -0.04 -0.46 1.13 2.43 -1.07 0.40 114.38 117.72 1kee h ARG 123 Ca 0.19 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.27 1kee h ARG 123 Cb 0.43 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1kee h ARG 123 CO 0.01 0.14 -0.07 0.93 -1.51 0.00 0.00 179.97 179.47 1kee h GLU 124 N -0.22 0.86 -0.01 0.20 4.39 -1.02 -3.33 114.58 115.45 1kee h GLU 124 Ca -0.00 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.39 1kee h GLU 124 Cb 0.20 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1kee h GLU 124 CO 0.01 0.94 -0.37 1.63 -1.16 0.00 0.00 179.01 180.06 1kee n LYS 125 N -4.29 1.88 0.00 2.33 5.02 0.69 -5.08 118.16 118.70 1kee n LYS 125 Ca -0.00 -0.63 0.00 0.00 -2.02 0.00 0.00 58.31 55.66 1kee n LYS 125 Cb 0.36 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 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 1.13 -0.49 3.30 0.72 0.00 0.14 -4.97 105.19 105.03 1kee n GLY 126 Ca 0.05 -1.72 -0.35 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.50 -3.17 -3.42 4.61 0.00 -0.04 -4.56 120.51 113.44 1kee n ALA 127 Ca 0.00 -0.48 -0.16 0.00 0.00 0.00 0.00 53.44 52.79 1kee n ALA 127 Cb 0.00 -1.60 -0.06 0.00 0.00 0.00 0.00 19.45 17.79 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 -2.72 0.97 0.50 0.00 -0.21 -1.26 -5.02 119.66 111.91 1kee s GLN 128 Ca 0.54 0.07 -0.12 0.00 0.02 0.00 0.00 55.36 55.88 1kee s GLN 128 Cb -0.26 0.45 -0.06 0.00 1.00 0.00 0.00 33.01 34.14 1kee s GLN 128 CO 0.69 -0.30 0.90 -0.80 -2.12 0.00 0.00 175.29 173.65 1kee s ASN 129 N -1.35 6.46 0.28 5.90 0.01 -1.26 -0.48 114.94 124.49 1kee s ASN 129 Ca -0.11 1.30 -0.21 0.00 -0.71 0.00 0.00 52.86 53.14 1kee s ASN 129 Cb -0.01 -2.40 0.02 0.00 0.41 0.00 0.00 41.25 39.26 1kee s ASN 129 CO 0.07 -0.58 0.72 -0.83 -1.51 0.00 0.00 177.10 174.96 1kee s GLY 130 N -3.48 -0.08 0.00 0.66 0.00 0.75 -1.78 107.32 103.40 1kee s GLY 130 Ca 0.54 -0.31 0.01 0.00 0.00 0.00 0.00 44.72 44.95 1kee s GLY 130 CO 0.38 -0.10 -0.02 0.00 0.00 0.00 0.00 173.10 173.36 1kee s ILE 132 N -0.22 3.16 -0.11 0.00 1.01 0.21 -0.72 121.20 124.53 1kee s ILE 132 Ca -0.01 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 60.00 1kee s ILE 132 Cb -0.02 -2.28 0.01 0.00 0.01 0.00 0.00 42.46 40.18 1kee s ILE 132 CO -0.00 0.56 -0.19 -0.63 0.00 0.00 0.00 174.94 174.69 1kee s ILE 133 N -0.30 1.73 -0.14 2.92 1.01 0.65 -0.84 121.20 126.23 1kee s ILE 133 Ca 0.03 -0.80 0.02 0.00 0.00 0.00 0.00 60.65 59.89 1kee s ILE 133 Cb -0.13 -1.54 0.00 0.00 0.01 0.00 0.00 42.46 40.80 1kee s ILE 133 CO 0.03 0.49 -0.19 0.00 0.00 0.00 0.00 174.94 175.26 1kee s ALA 134 N 0.74 2.37 0.00 9.38 0.00 0.25 0.80 121.76 135.29 1kee s ALA 134 Ca -0.11 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 50.82 1kee s ALA 134 Cb -0.16 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 21.89 1kee s ALA 134 CO 0.02 0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.25 1kee n GLY 135 N 3.89 -0.74 0.23 0.00 0.00 -0.58 -0.27 105.19 107.71 1kee n GLY 135 Ca -0.19 -1.29 -0.06 0.00 0.00 0.00 0.00 46.02 44.48 1kee n GLY 135 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kee n ASP 136 N 0.00 -0.58 -3.39 1.61 10.43 -1.26 -3.69 116.55 119.67 1kee n ASP 136 Ca 0.00 1.21 -0.26 0.00 2.57 0.00 0.00 54.79 58.31 1kee n ASP 136 Cb 0.00 -0.24 -0.09 0.00 1.84 0.00 0.00 41.12 42.62 1kee n ASP 136 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1kee n ASN 137 N -4.31 0.53 -4.67 -2.24 4.13 -1.26 -4.64 115.26 102.79 1kee n ASN 137 Ca 0.01 -2.67 -0.53 0.00 1.68 0.00 0.00 54.58 53.07 1kee n ASN 137 Cb 0.14 -0.62 -0.06 0.00 -1.54 0.00 0.00 39.78 37.71 1kee n ASN 137 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1kee n PRO 138 N 2.08 1.51 -2.68 3.52 -0.02 -1.24 -4.90 135.00 133.28 1kee n PRO 138 Ca 0.26 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.87 1kee n PRO 138 Cb 0.47 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 1kee n PRO 138 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1kee s ASP 139 N 2.56 6.22 0.33 2.55 2.15 -1.26 -4.92 116.67 124.29 1kee s ASP 139 Ca 0.91 -0.53 0.01 0.00 0.43 0.00 0.00 52.55 53.37 1kee s ASP 139 Cb -0.91 -2.50 0.56 0.00 -0.30 0.00 0.00 42.92 39.77 1kee s ASP 139 CO 0.54 -1.61 1.97 0.00 -0.17 0.00 0.00 175.17 175.91 1kee h ALA 140 N 9.75 1.51 -0.75 3.66 0.00 -2.00 -1.09 119.26 130.35 1kee h ALA 140 Ca -0.28 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 1kee h ALA 140 Cb 1.06 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1kee h ALA 140 CO 1.22 0.43 0.29 0.00 0.00 0.00 0.00 179.25 181.19 1kee h ALA 141 N 1.54 0.98 -0.34 0.00 0.00 -1.99 -1.47 119.26 117.98 1kee h ALA 141 Ca 0.29 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1kee h ALA 141 Cb -0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1kee h ALA 141 CO -0.08 0.61 0.02 1.25 0.00 0.00 0.00 179.25 181.05 1kee h LEU 142 N 1.09 0.57 -0.61 0.00 5.85 -1.86 -0.64 115.31 119.72 1kee h LEU 142 Ca 0.25 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.71 1kee h LEU 142 Cb 0.22 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1kee h LEU 142 CO -0.02 0.72 0.36 0.00 -0.34 0.00 0.00 178.44 179.16 1kee h ALA 143 N 0.87 0.79 -0.52 1.25 0.00 -1.01 0.70 119.26 121.33 1kee h ALA 143 Ca 0.10 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1kee h ALA 143 Cb 0.42 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1kee h ALA 143 CO 0.01 0.07 0.09 1.25 0.00 0.00 0.00 179.25 180.68 1kee h LEU 144 N 0.69 0.77 0.62 0.00 5.85 -1.12 0.41 115.31 122.53 1kee h LEU 144 Ca 0.25 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1kee h LEU 144 Cb 0.07 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 1kee h LEU 144 CO -0.12 0.78 -0.41 -0.08 -0.34 0.00 0.00 178.44 178.27 1kee h GLU 145 N 0.78 -0.93 -0.58 1.25 4.81 0.39 -1.10 114.58 119.20 1kee h GLU 145 Ca 0.17 0.06 0.12 0.00 -0.13 0.00 0.00 59.36 59.58 1kee h GLU 145 Cb 0.34 0.21 -0.11 0.00 0.63 0.00 0.00 28.75 29.82 1kee h GLU 145 CO 0.00 -0.62 -0.15 0.87 -0.73 0.00 0.00 179.01 178.38 1kee h LYS 146 N -0.97 -0.01 -0.91 1.92 1.57 -0.78 -1.16 116.57 116.24 1kee h LYS 146 Ca -0.08 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1kee h LYS 146 Cb 0.78 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.05 1kee h LYS 146 CO 0.07 -0.00 0.55 0.00 -0.57 0.00 0.00 179.45 179.49 1kee h ALA 147 N 1.57 1.26 0.00 3.86 0.00 -0.78 -2.33 119.26 122.84 1kee h ALA 147 Ca 0.28 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1kee h ALA 147 Cb 0.43 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1kee h ALA 147 CO -0.60 0.64 -0.43 0.00 0.00 0.00 0.00 179.25 178.86 1kee h ARG 148 N 1.25 0.00 0.00 0.00 3.08 -0.18 -3.10 114.38 115.43 1kee h ARG 148 Ca 0.33 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.35 1kee h ARG 148 Cb -0.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1kee h ARG 148 CO -0.06 0.43 -0.25 0.00 -1.07 0.00 0.00 179.97 179.02 1kee h ALA 149 N 1.57 0.87 -1.73 0.04 0.00 -0.86 -3.46 119.26 115.69 1kee h ALA 149 Ca -0.00 -0.12 -0.69 0.00 0.00 0.00 0.00 54.91 54.10 1kee h ALA 149 Cb 1.00 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.80 1kee h ALA 149 CO 0.06 0.15 0.94 0.34 0.00 0.00 0.00 179.25 180.74 1kee n PHE 150 N -3.07 2.12 -0.04 0.00 -0.00 -0.91 -4.82 117.46 110.73 1kee n PHE 150 Ca 0.03 0.36 0.11 0.00 -0.00 0.00 0.00 57.45 57.95 1kee n PHE 150 Cb 0.58 -2.52 0.52 0.00 -0.00 0.00 0.00 39.48 38.06 1kee n PHE 150 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 1kee h PRO 151 N 7.67 0.35 0.00 -7.13 0.11 -1.91 -3.48 132.00 127.61 1kee h PRO 151 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1kee h PRO 151 Cb 1.30 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1kee h PRO 151 CO 0.94 0.23 0.00 0.41 -0.21 0.00 0.00 178.00 179.38 1kee n GLY 152 N -1.52 2.02 0.09 -0.55 0.00 -1.26 -4.85 105.19 99.12 1kee n GLY 152 Ca 0.08 -1.76 -0.07 0.00 0.00 0.00 0.00 46.02 44.27 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 0.10 -9.31 0.99 4.07 -1.95 -3.41 115.31 105.80 1kee h LEU 153 Ca 0.00 -0.10 -0.56 0.00 0.08 0.00 0.00 57.88 57.31 1kee h LEU 153 Cb 0.00 -0.03 0.02 0.00 1.08 0.00 0.00 40.66 41.73 1kee h LEU 153 CO 0.00 0.97 1.21 -3.20 -1.08 0.00 0.00 178.44 176.35 1kee n ASN 154 N -3.52 3.93 0.00 -0.43 4.05 -1.26 -0.83 115.26 117.19 1kee n ASN 154 Ca -0.02 0.89 0.00 0.00 0.45 0.00 0.00 54.58 55.90 1kee n ASN 154 Cb 0.86 -1.48 0.00 0.00 1.23 0.00 0.00 39.78 40.39 1kee n ASN 154 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1kee n GLY 155 N 4.59 0.74 3.64 8.20 0.00 -1.26 -5.03 105.19 116.07 1kee n GLY 155 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.13 4.08 -0.44 1.61 0.00 -0.01 -4.83 119.30 119.58 1kee s MET 156 Ca 0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 55.69 55.46 1kee s MET 156 Cb 0.00 -3.58 0.02 0.00 0.00 0.00 0.00 34.83 31.27 1kee s MET 156 CO 0.00 -0.10 0.72 0.34 0.00 0.00 0.00 175.02 175.98 1kee s ASP 157 N 1.29 6.38 -0.06 1.11 3.68 -1.26 -1.29 116.67 126.52 1kee s ASP 157 Ca 0.14 -0.19 0.19 0.00 2.13 0.00 0.00 52.55 54.82 1kee s ASP 157 Cb -0.15 -2.36 -0.28 0.00 -1.45 0.00 0.00 42.92 38.69 1kee s ASP 157 CO 0.08 -0.84 0.34 0.18 0.13 0.00 0.00 175.17 175.06 1kee n LEU 158 N 6.49 0.00 -0.31 -1.34 4.77 -1.26 -4.39 117.00 120.96 1kee n LEU 158 Ca 0.01 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 1kee n LEU 158 Cb 0.48 0.09 0.26 0.00 -2.33 0.00 0.00 43.42 41.93 1kee n LEU 158 CO 0.56 0.09 1.12 0.00 -1.33 0.00 0.00 177.39 177.84 1kee h ALA 159 N 1.56 1.42 0.00 -1.18 0.00 -1.80 0.55 119.26 119.81 1kee h ALA 159 Ca -0.10 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1kee h ALA 159 Cb 1.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1kee h ALA 159 CO 0.01 -0.10 0.00 1.57 0.00 0.00 0.00 179.25 180.72 1kee h LYS 160 N 0.64 0.00 0.05 0.00 2.10 -1.90 -2.41 116.57 115.06 1kee h LYS 160 Ca 0.51 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.89 1kee h LYS 160 Cb 0.78 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.08 1kee h LYS 160 CO -0.39 0.00 -1.38 0.93 -2.00 0.00 0.00 179.45 176.61 1kee h GLU 161 N 0.00 0.11 0.00 0.07 4.39 -0.15 -3.37 114.58 115.63 1kee h GLU 161 Ca 0.00 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.52 1kee h GLU 161 Cb 0.44 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1kee h GLU 161 CO 0.00 0.93 -1.26 1.33 -1.16 0.00 0.00 179.01 178.85 1kee n VAL 162 N -3.33 0.01 -0.51 3.13 0.24 -0.91 -5.01 118.33 111.95 1kee n VAL 162 Ca -0.11 -0.14 -0.29 0.00 -2.04 0.00 0.00 64.34 61.76 1kee n VAL 162 Cb 1.01 0.69 0.24 0.00 -1.47 0.00 0.00 33.84 34.31 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 -1.72 0.00 -2.68 3.34 5.66 -0.92 -4.66 114.28 113.30 1kee n THR 163 Ca 0.02 -0.39 -0.35 0.00 -3.05 0.00 0.00 64.05 60.27 1kee n THR 163 Cb 0.40 -0.98 -0.05 0.00 -1.55 0.00 0.00 70.33 68.14 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 -2.43 4.03 -0.02 1.09 -1.32 -1.26 -4.98 115.64 110.75 1kee s THR 164 Ca 0.68 1.48 -0.21 0.00 -1.21 0.00 0.00 61.69 62.43 1kee s THR 164 Cb -0.25 -3.73 -0.13 0.00 -1.51 0.00 0.00 72.50 66.89 1kee s THR 164 CO 0.64 -0.06 0.91 0.00 -2.21 0.00 0.00 174.62 173.90 1kee h ALA 165 N 2.44 -0.57 -2.09 11.08 0.00 -1.98 -3.40 119.26 124.73 1kee h ALA 165 Ca -0.48 -0.17 -0.59 0.00 0.00 0.00 0.00 54.91 53.66 1kee h ALA 165 Cb 1.20 0.22 -0.12 0.00 0.00 0.00 0.00 17.79 19.09 1kee h ALA 165 CO 0.62 -0.58 -0.69 -1.83 0.00 0.00 0.00 179.25 176.78 1kee s GLU 166 N -3.95 1.93 0.64 0.00 -1.05 -1.26 -4.82 118.70 110.19 1kee s GLU 166 Ca -0.12 -1.72 -0.11 0.00 -0.15 0.00 0.00 54.97 52.87 1kee s GLU 166 Cb 0.01 -1.88 -0.02 0.00 -0.44 0.00 0.00 34.13 31.80 1kee s GLU 166 CO 0.39 0.26 1.04 0.00 0.95 0.00 0.00 175.26 177.90 1kee s ALA 167 N -2.49 2.90 0.25 -0.84 0.00 -1.26 -4.71 121.76 115.62 1kee s ALA 167 Ca 0.32 0.02 -0.22 0.00 0.00 0.00 0.00 51.96 52.09 1kee s ALA 167 Cb -0.03 -3.13 0.03 0.00 0.00 0.00 0.00 23.12 19.99 1kee s ALA 167 CO 0.17 -0.89 0.70 1.52 0.00 0.00 0.00 175.76 177.26 1kee s TYR 168 N -3.05 -0.26 -0.06 0.00 1.13 -0.29 -4.99 117.35 109.83 1kee s TYR 168 Ca 0.57 -0.14 -0.08 0.00 -1.41 0.00 0.00 57.07 56.01 1kee s TYR 168 Cb -0.12 0.68 -0.04 0.00 -1.10 0.00 0.00 41.96 41.37 1kee s TYR 168 CO 0.52 -1.14 0.22 -1.54 -2.51 0.00 0.00 175.55 171.10 1kee s SER 169 N -2.88 6.49 -0.07 -0.18 1.04 -1.26 0.17 113.70 117.00 1kee s SER 169 Ca 0.09 0.57 -0.01 0.00 0.48 0.00 0.00 55.95 57.08 1kee s SER 169 Cb -0.05 -2.10 0.03 0.00 0.10 0.00 0.00 66.02 64.00 1kee s SER 169 CO 0.03 0.34 -0.02 0.86 0.98 0.00 0.00 173.24 175.43 1kee s TRP 170 N -1.13 0.83 0.00 5.02 -0.11 -0.04 -4.92 118.94 118.58 1kee s TRP 170 Ca 0.21 -0.27 0.21 0.00 1.22 0.00 0.00 56.10 57.46 1kee s TRP 170 Cb -0.13 -0.85 0.35 0.00 -1.50 0.00 0.00 33.47 31.34 1kee s TRP 170 CO 0.10 -0.33 1.13 0.25 -4.62 0.00 0.00 176.95 173.48 1kee n THR 171 N 4.88 0.00 -3.91 5.86 -2.24 -1.26 -0.36 114.28 117.25 1kee n THR 171 Ca -0.12 -0.81 -0.35 0.00 -2.27 0.00 0.00 64.05 60.51 1kee n THR 171 Cb 0.50 0.90 -0.10 0.00 -2.10 0.00 0.00 70.33 69.54 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 0.00 4.01 0.28 -0.78 0.74 -1.26 0.87 119.66 123.52 1kee s GLN 172 Ca 0.27 -0.32 -0.01 0.00 0.05 0.00 0.00 55.36 55.36 1kee s GLN 172 Cb 0.31 -3.29 0.06 0.00 1.10 0.00 0.00 33.01 31.19 1kee s GLN 172 CO -0.14 0.23 0.39 0.41 -0.55 0.00 0.00 175.29 175.63 1kee n GLY 173 N 3.69 0.53 3.66 2.59 0.00 -1.26 -3.98 105.19 110.41 1kee n GLY 173 Ca -0.16 -1.95 -0.30 0.00 0.00 0.00 0.00 46.02 43.60 1kee n GLY 173 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kee s SER 174 N -2.57 2.86 0.47 1.61 0.01 -1.24 -4.47 113.70 110.36 1kee s SER 174 Ca 0.25 1.80 -0.09 0.00 1.31 0.00 0.00 55.95 59.22 1kee s SER 174 Cb -0.01 -2.39 -0.05 0.00 0.21 0.00 0.00 66.02 63.77 1kee s SER 174 CO 0.17 -3.08 0.83 0.86 0.41 0.00 0.00 173.24 172.43 1kee s TRP 175 N -2.72 3.52 0.01 2.43 -0.00 -1.26 -4.05 118.94 116.87 1kee s TRP 175 Ca 0.65 1.03 -0.02 0.00 -0.00 0.00 0.00 56.10 57.76 1kee s TRP 175 Cb -0.21 -2.46 -0.01 0.00 -0.00 0.00 0.00 33.47 30.79 1kee s TRP 175 CO 0.59 -0.27 0.03 0.95 -0.00 0.00 0.00 176.95 178.25 1kee s THR 176 N -2.63 0.08 0.16 5.86 -4.23 0.84 -4.95 115.64 110.77 1kee s THR 176 Ca 0.51 -0.70 -0.16 0.00 -1.18 0.00 0.00 61.69 60.16 1kee s THR 176 Cb -0.10 -0.28 0.03 0.00 1.34 0.00 0.00 72.50 73.49 1kee s THR 176 CO 0.39 -0.38 1.74 0.25 -0.54 0.00 0.00 174.62 176.08 1kee h LEU 177 N 4.79 0.09 0.61 4.79 5.85 -1.99 1.28 115.31 130.71 1kee h LEU 177 Ca -0.30 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.43 1kee h LEU 177 Cb 1.20 0.05 0.01 0.00 0.37 0.00 0.00 40.66 42.29 1kee h LEU 177 CO 0.42 0.09 -0.29 0.74 -0.34 0.00 0.00 178.44 179.05 1kee h THR 178 N 0.24 0.23 -0.27 1.05 2.02 -2.05 -3.32 112.91 110.81 1kee h THR 178 Ca 0.17 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1kee h THR 178 Cb 0.16 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1kee h THR 178 CO -0.19 0.03 0.00 0.61 0.37 0.00 0.00 175.52 176.34 1kee n GLY 179 N -0.69 1.22 7.00 2.16 0.00 -1.18 -5.06 105.19 108.64 1kee n GLY 179 Ca -0.12 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1kee n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kee n GLY 180 N 1.38 0.95 3.64 -0.02 0.00 0.44 -4.56 105.19 107.01 1kee n GLY 180 Ca 0.18 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 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 4.09 0.91 0.99 1.43 -1.26 -0.11 118.68 124.73 1kee s LEU 181 Ca 0.00 0.43 -0.10 0.00 -1.03 0.00 0.00 54.13 53.43 1kee s LEU 181 Cb 0.00 -2.51 0.14 0.00 0.03 0.00 0.00 46.19 43.86 1kee s LEU 181 CO 0.00 -0.15 1.15 -2.16 0.23 0.00 0.00 176.35 175.41 1kee s PRO 182 N 1.76 1.03 0.53 1.29 0.04 -1.26 -5.00 135.00 133.39 1kee s PRO 182 Ca 0.18 1.54 -0.18 0.00 0.04 0.00 0.00 61.00 62.58 1kee s PRO 182 Cb -0.15 -1.73 -0.06 0.00 0.04 0.00 0.00 34.50 32.59 1kee s PRO 182 CO 0.09 -2.62 1.06 -1.21 0.04 0.00 0.00 177.00 174.35 1kee s GLU 183 N -4.66 3.56 0.31 4.56 2.02 -1.26 -4.76 118.70 118.48 1kee s GLU 183 Ca 0.67 1.33 -0.29 0.00 0.02 0.00 0.00 54.97 56.70 1kee s GLU 183 Cb -0.23 -2.06 -0.10 0.00 0.10 0.00 0.00 34.13 31.84 1kee s GLU 183 CO 0.58 -0.63 1.25 0.00 0.02 0.00 0.00 175.26 176.48 1kee s ALA 184 N -2.14 3.48 0.86 5.21 0.00 -1.26 -4.62 121.76 123.28 1kee s ALA 184 Ca 0.66 1.16 -0.11 0.00 0.00 0.00 0.00 51.96 53.67 1kee s ALA 184 Cb -0.17 -3.44 0.11 0.00 0.00 0.00 0.00 23.12 19.62 1kee s ALA 184 CO 0.27 -0.51 1.10 0.15 0.00 0.00 0.00 175.76 176.78 1kee s LYS 185 N -1.61 1.54 0.30 0.00 1.02 0.25 -4.93 119.74 116.31 1kee s LYS 185 Ca 0.48 1.17 -0.16 0.00 0.02 0.00 0.00 55.97 57.48 1kee s LYS 185 Cb -0.37 -1.82 -0.09 0.00 -0.52 0.00 0.00 37.83 35.03 1kee s LYS 185 CO 0.49 -2.14 0.72 0.15 -0.92 0.00 0.00 175.35 173.65 1kee s LYS 186 N -4.82 4.05 0.25 1.68 1.02 -1.26 -4.83 119.74 115.82 1kee s LYS 186 Ca 0.63 0.69 -0.04 0.00 0.02 0.00 0.00 55.97 57.28 1kee s LYS 186 Cb -0.19 -2.54 0.41 0.00 -0.52 0.00 0.00 37.83 34.98 1kee s LYS 186 CO 0.57 0.22 1.83 0.93 -0.92 0.00 0.00 175.35 177.98 1kee h GLU 187 N 2.53 0.88 0.00 1.68 5.08 -1.95 0.11 114.58 122.91 1kee h GLU 187 Ca -0.48 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1kee h GLU 187 Cb 1.18 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1kee h GLU 187 CO 0.65 0.58 0.00 -0.40 -1.00 0.00 0.00 179.01 178.85 1kee n ASP 188 N -4.67 0.00 -0.43 1.42 3.85 -1.26 -2.41 116.55 113.05 1kee n ASP 188 Ca 0.14 -0.25 0.12 0.00 -0.71 0.00 0.00 54.79 54.09 1kee n ASP 188 Cb 0.25 -0.13 0.25 0.00 -1.35 0.00 0.00 41.12 40.15 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 -1.13 1.23 -4.10 0.11 1.02 0.03 -4.81 120.64 112.99 1kee n GLU 189 Ca 0.10 -0.87 -0.33 0.00 -0.02 0.00 0.00 57.16 56.04 1kee n GLU 189 Cb 0.09 -1.48 -0.16 0.00 -0.02 0.00 0.00 31.44 29.87 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 -2.37 2.54 0.38 -4.62 1.43 -1.01 -4.97 118.68 110.06 1kee s LEU 190 Ca 0.25 -0.88 0.12 0.00 -1.03 0.00 0.00 54.13 52.59 1kee s LEU 190 Cb 0.19 -1.50 0.74 0.00 0.03 0.00 0.00 46.19 45.65 1kee s LEU 190 CO 0.49 -0.06 1.85 1.55 0.23 0.00 0.00 176.35 180.41 1kee h PRO 191 N 7.89 0.08 -6.28 1.29 0.13 -1.79 -3.43 132.00 129.88 1kee h PRO 191 Ca -0.38 -0.03 -0.59 0.00 -0.87 0.00 0.00 66.00 64.14 1kee h PRO 191 Cb 1.11 -0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.11 1kee h PRO 191 CO 0.58 0.37 -0.69 -0.06 -0.23 0.00 0.00 178.00 177.97 1kee s PHE 192 N -4.36 2.58 -0.19 1.56 0.40 0.58 -4.99 117.98 113.55 1kee s PHE 192 Ca -0.04 -0.25 0.01 0.00 -0.60 0.00 0.00 56.93 56.06 1kee s PHE 192 Cb 0.15 -1.18 0.03 0.00 0.51 0.00 0.00 43.02 42.53 1kee s PHE 192 CO 0.73 0.61 -0.15 -1.58 0.70 0.00 0.00 175.22 175.52 1kee s HIS 193 N -2.18 2.69 -0.06 0.36 2.46 -1.26 0.88 115.29 118.19 1kee s HIS 193 Ca 0.29 -1.69 0.04 0.00 0.47 0.00 0.00 55.06 54.17 1kee s HIS 193 Cb -0.07 -1.81 -0.02 0.00 -0.13 0.00 0.00 32.58 30.55 1kee s HIS 193 CO 0.17 -0.79 -0.18 0.08 -2.47 0.00 0.00 174.74 171.55 1kee s VAL 194 N 1.31 2.68 -0.22 0.89 1.01 0.08 0.19 120.40 126.35 1kee s VAL 194 Ca 0.01 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.06 1kee s VAL 194 Cb -0.15 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 1kee s VAL 194 CO -0.10 0.58 0.11 -0.69 0.00 0.00 0.00 175.10 174.99 1kee s VAL 195 N -0.43 4.91 -0.10 2.92 1.01 -0.13 -1.42 120.40 127.16 1kee s VAL 195 Ca 0.05 0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.08 1kee s VAL 195 Cb -0.12 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1kee s VAL 195 CO 0.02 0.38 -0.21 0.00 0.00 0.00 0.00 175.10 175.29 1kee s ALA 196 N 0.98 1.97 -0.20 5.51 0.00 -0.30 0.79 121.76 130.51 1kee s ALA 196 Ca 0.05 -0.86 -0.27 0.00 0.00 0.00 0.00 51.96 50.89 1kee s ALA 196 Cb -0.14 -0.78 -0.00 0.00 0.00 0.00 0.00 23.12 22.20 1kee s ALA 196 CO 0.03 0.21 0.91 0.71 0.00 0.00 0.00 175.76 177.62 1kee s TYR 197 N 0.48 3.37 -0.68 0.00 1.51 0.26 -0.69 117.35 121.60 1kee s TYR 197 Ca -0.16 1.32 -0.23 0.00 -1.01 0.00 0.00 57.07 56.99 1kee s TYR 197 Cb -0.17 -3.12 0.07 0.00 -0.11 0.00 0.00 41.96 38.63 1kee s TYR 197 CO 0.06 -0.36 1.00 0.34 -1.11 0.00 0.00 175.55 175.48 1kee s ASP 198 N 1.22 6.20 -0.20 2.29 3.68 0.07 -2.22 116.67 127.71 1kee s ASP 198 Ca 0.40 -1.03 0.15 0.00 2.13 0.00 0.00 52.55 54.20 1kee s ASP 198 Cb -0.16 -2.43 0.77 0.00 -1.45 0.00 0.00 42.92 39.65 1kee s ASP 198 CO 0.10 -1.44 1.69 0.49 0.13 0.00 0.00 175.17 176.13 1kee n PHE 199 N 7.74 1.82 0.00 -5.34 3.72 -1.26 -3.32 117.46 120.82 1kee n PHE 199 Ca -0.01 -0.71 0.00 0.00 -0.05 0.00 0.00 57.45 56.67 1kee n PHE 199 Cb 0.46 -0.42 0.00 0.00 -0.94 0.00 0.00 39.48 38.57 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 0.65 0.62 3.77 1.37 0.00 -1.22 -3.95 105.19 106.43 1kee n GLY 200 Ca 0.27 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.93 3.22 0.12 4.61 0.00 -1.22 -4.15 121.76 123.41 1kee s ALA 201 Ca 0.00 1.10 -0.26 0.00 0.00 0.00 0.00 51.96 52.80 1kee s ALA 201 Cb 0.00 -3.43 -0.07 0.00 0.00 0.00 0.00 23.12 19.62 1kee s ALA 201 CO 0.00 -0.66 0.80 0.15 0.00 0.00 0.00 175.76 176.05 1kee s LYS 202 N -2.22 4.58 0.24 0.00 1.02 -1.26 -4.88 119.74 117.22 1kee s LYS 202 Ca 0.56 1.18 -0.05 0.00 0.02 0.00 0.00 55.97 57.68 1kee s LYS 202 Cb -0.35 -3.31 0.45 0.00 -0.52 0.00 0.00 37.83 34.10 1kee s LYS 202 CO 0.44 0.42 1.71 0.00 -0.92 0.00 0.00 175.35 177.00 1kee h ARG 203 N 4.97 0.36 -0.46 1.68 3.08 -1.58 -1.98 114.38 120.45 1kee h ARG 203 Ca -0.45 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 59.67 1kee h ARG 203 Cb 1.21 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 31.15 1kee h ARG 203 CO 0.69 0.24 0.32 -0.97 -1.07 0.00 0.00 179.97 179.17 1kee h ASN 204 N 0.38 0.18 -0.21 7.04 -1.24 -1.92 0.98 115.58 120.79 1kee h ASN 204 Ca 0.41 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.40 1kee h ASN 204 Cb 0.65 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.65 1kee h ASN 204 CO -0.43 0.11 0.05 0.40 -1.29 0.00 0.00 177.43 176.27 1kee h ILE 205 N 0.20 1.21 -0.73 2.57 2.04 -1.68 -1.05 117.51 120.07 1kee h ILE 205 Ca 0.21 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1kee h ILE 205 Cb 0.58 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 1kee h ILE 205 CO -0.04 0.21 0.45 -0.07 0.00 0.00 0.00 178.15 178.71 1kee h LEU 206 N 0.15 0.86 -0.28 1.44 3.38 -1.27 -1.65 115.31 117.93 1kee h LEU 206 Ca 0.07 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1kee h LEU 206 Cb 0.27 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1kee h LEU 206 CO 0.00 0.65 0.15 0.03 0.09 0.00 0.00 178.44 179.36 1kee h ARG 207 N 0.99 0.40 -0.33 1.13 3.08 -0.71 -1.69 114.38 117.25 1kee h ARG 207 Ca 0.26 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.21 1kee h ARG 207 Cb -0.06 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 1kee h ARG 207 CO -0.05 0.36 -0.01 0.52 -1.07 0.00 0.00 179.97 179.72 1kee h MET 208 N 0.34 0.52 -0.43 0.04 2.86 -0.93 -0.69 114.93 116.62 1kee h MET 208 Ca 0.10 -0.11 -0.14 0.00 -2.06 0.00 0.00 59.70 57.48 1kee h MET 208 Cb 0.08 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 1kee h MET 208 CO -0.01 0.55 -0.29 -0.07 1.06 0.00 0.00 176.91 178.15 1kee h LEU 209 N 0.49 0.99 -1.21 1.22 3.38 -1.10 -2.43 115.31 116.66 1kee h LEU 209 Ca 0.11 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.62 1kee h LEU 209 Cb 0.34 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1kee h LEU 209 CO 0.01 1.20 0.02 0.58 0.09 0.00 0.00 178.44 180.35 1kee h VAL 210 N 0.80 1.20 0.00 1.22 2.07 -0.79 -1.60 116.25 119.15 1kee h VAL 210 Ca 0.09 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 1kee h VAL 210 Cb 0.87 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 1kee h VAL 210 CO 0.08 0.27 -0.08 0.44 0.02 0.00 0.00 177.57 178.30 1kee h ASP 211 N 0.55 0.00 -0.51 0.57 3.32 -0.68 -0.41 116.42 119.25 1kee h ASP 211 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1kee h ASP 211 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1kee h ASP 211 CO 0.01 0.08 0.00 0.54 -1.72 0.00 0.00 179.24 178.14 1kee n ARG 212 N -3.76 2.37 0.00 3.56 1.74 -0.67 -4.94 116.66 114.95 1kee n ARG 212 Ca -0.02 -2.11 0.00 0.00 -0.77 0.00 0.00 57.85 54.95 1kee n ARG 212 Cb 0.18 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 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 1.45 0.94 3.71 -0.13 0.00 -0.16 -4.96 105.19 106.04 1kee n GLY 213 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 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 0.60 4.12 0.11 0.00 1.70 0.25 -3.83 118.95 121.91 1kee s ARG 215 Ca 0.10 0.47 0.08 0.00 -0.47 0.00 0.00 55.73 55.91 1kee s ARG 215 Cb -0.12 -3.30 -0.04 0.00 -0.57 0.00 0.00 34.95 30.91 1kee s ARG 215 CO 0.01 0.49 -0.15 -0.51 -1.08 0.00 0.00 175.30 174.06 1kee s LEU 216 N -0.45 2.83 -0.30 -1.89 1.43 0.51 -0.74 118.68 120.08 1kee s LEU 216 Ca 0.25 -0.50 0.03 0.00 -1.03 0.00 0.00 54.13 52.88 1kee s LEU 216 Cb -0.16 -1.65 0.08 0.00 0.03 0.00 0.00 46.19 44.49 1kee s LEU 216 CO 0.13 0.18 -0.00 -0.89 0.23 0.00 0.00 176.35 176.00 1kee s THR 217 N -1.17 1.93 -0.23 5.49 2.01 -0.51 -0.86 115.64 122.31 1kee s THR 217 Ca 0.19 -1.85 -0.25 0.00 0.31 0.00 0.00 61.69 60.10 1kee s THR 217 Cb -0.11 -2.29 -0.01 0.00 0.01 0.00 0.00 72.50 70.10 1kee s THR 217 CO 0.11 -0.38 0.84 -0.63 -0.69 0.00 0.00 174.62 173.88 1kee s ILE 218 N 1.13 4.83 -0.00 1.82 -1.09 0.45 -1.15 121.20 127.19 1kee s ILE 218 Ca 0.03 1.61 0.03 0.00 -2.23 0.00 0.00 60.65 60.09 1kee s ILE 218 Cb -0.19 -4.13 -0.03 0.00 -1.58 0.00 0.00 42.46 36.52 1kee s ILE 218 CO -0.09 -0.06 -0.05 0.68 -1.23 0.00 0.00 174.94 174.18 1kee s VAL 219 N 2.75 3.76 0.54 2.92 -7.23 0.13 -1.14 120.40 122.12 1kee s VAL 219 Ca 0.36 -0.72 -0.21 0.00 -1.81 0.00 0.00 61.98 59.61 1kee s VAL 219 Cb -0.15 -2.64 -0.06 0.00 0.56 0.00 0.00 36.38 34.08 1kee s VAL 219 CO 0.08 0.40 1.04 -2.65 -0.31 0.00 0.00 175.10 173.67 1kee n PRO 220 N 1.57 1.18 0.09 4.82 -0.02 -1.26 -0.75 135.00 140.62 1kee n PRO 220 Ca -0.15 0.44 0.17 0.00 -2.02 0.00 0.00 63.50 61.94 1kee n PRO 220 Cb 0.53 -2.21 0.71 0.00 -0.02 0.00 0.00 33.50 32.51 1kee n PRO 220 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kee h ALA 221 N 0.96 2.26 -0.01 3.55 0.00 -1.81 -2.16 119.26 122.05 1kee h ALA 221 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1kee h ALA 221 Cb 1.35 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1kee h ALA 221 CO 0.54 -0.47 -0.10 1.04 0.00 0.00 0.00 179.25 180.25 1kee n GLN 222 N -4.26 1.37 -1.60 0.00 3.00 -1.26 -4.50 117.38 110.13 1kee n GLN 222 Ca 0.06 -0.82 -0.47 0.00 -0.01 0.00 0.00 57.00 55.75 1kee n GLN 222 Cb 0.46 -1.48 -0.03 0.00 0.00 0.00 0.00 30.24 29.19 1kee n GLN 222 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1kee n THR 223 N -0.10 1.06 -2.34 5.09 -1.04 -0.81 -4.95 114.28 111.19 1kee n THR 223 Ca 0.16 -0.26 -0.33 0.00 -2.04 0.00 0.00 64.05 61.58 1kee n THR 223 Cb 0.36 -1.00 -0.02 0.00 -1.82 0.00 0.00 70.33 67.85 1kee n THR 223 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1kee s SER 224 N -0.02 6.28 0.24 8.00 1.04 -1.26 -4.93 113.70 123.05 1kee s SER 224 Ca 0.70 1.75 -0.07 0.00 0.48 0.00 0.00 55.95 58.82 1kee s SER 224 Cb -0.79 -2.53 0.26 0.00 0.10 0.00 0.00 66.02 63.06 1kee s SER 224 CO 0.53 -0.82 1.90 0.00 0.98 0.00 0.00 173.24 175.83 1kee h ALA 225 N 0.98 1.19 0.09 5.32 0.00 -1.92 -2.49 119.26 122.42 1kee h ALA 225 Ca -0.48 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.39 1kee h ALA 225 Cb 1.21 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1kee h ALA 225 CO 0.59 0.51 -0.10 0.93 0.00 0.00 0.00 179.25 181.18 1kee h GLU 226 N 1.20 -0.21 -0.23 0.00 3.07 -1.94 0.11 114.58 116.58 1kee h GLU 226 Ca 0.35 0.01 0.06 0.00 -0.50 0.00 0.00 59.36 59.28 1kee h GLU 226 Cb -0.07 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 1kee h GLU 226 CO -0.10 -0.14 0.16 -0.44 -1.40 0.00 0.00 179.01 177.10 1kee h ASP 227 N -0.21 0.03 0.27 1.42 3.32 -1.86 -2.50 116.42 116.89 1kee h ASP 227 Ca 0.01 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1kee h ASP 227 Cb 0.21 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1kee h ASP 227 CO -0.04 0.02 -0.13 0.58 -1.72 0.00 0.00 179.24 177.95 1kee h VAL 228 N 0.04 0.01 -1.15 -1.35 2.07 -0.94 -3.31 116.25 111.61 1kee h VAL 228 Ca 0.11 -0.74 0.38 0.00 0.82 0.00 0.00 66.70 67.27 1kee h VAL 228 Cb 0.38 0.01 -0.13 0.00 -1.52 0.00 0.00 31.29 30.02 1kee h VAL 228 CO -0.01 0.00 0.71 -0.07 0.02 0.00 0.00 177.57 178.23 1kee h LEU 229 N -1.10 0.36 -2.21 2.57 3.38 -0.63 4.21 115.31 121.89 1kee h LEU 229 Ca -0.04 0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.13 1kee h LEU 229 Cb 0.28 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1kee h LEU 229 CO 0.06 -0.16 0.14 0.11 0.09 0.00 0.00 178.44 178.68 1kee h LYS 230 N 0.19 0.00 0.00 1.13 1.57 -1.54 -1.81 116.57 116.12 1kee h LYS 230 Ca 0.77 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.55 1kee h LYS 230 Cb 2.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.44 1kee h LYS 230 CO -0.49 0.00 0.00 0.52 -0.57 0.00 0.00 179.45 178.91 1kee h MET 231 N 0.00 0.00 -4.67 3.15 2.86 0.81 -3.47 114.93 113.61 1kee h MET 231 Ca 0.07 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.49 1kee h MET 231 Cb 0.35 0.00 0.13 0.00 0.06 0.00 0.00 31.60 32.14 1kee h MET 231 CO -0.00 0.00 -0.57 0.09 1.06 0.00 0.00 176.91 177.49 1kee n ASN 232 N -2.99 -2.82 -4.75 1.22 4.13 -0.68 -5.00 115.26 104.36 1kee n ASN 232 Ca 0.02 -0.46 -0.39 0.00 1.68 0.00 0.00 54.58 55.43 1kee n ASN 232 Cb 0.36 -3.86 0.03 0.00 -1.54 0.00 0.00 39.78 34.78 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 -4.75 3.30 0.21 3.52 0.04 -1.26 -4.94 135.00 131.12 1kee s PRO 233 Ca 0.08 2.31 0.19 0.00 0.04 0.00 0.00 61.00 63.61 1kee s PRO 233 Cb -0.01 -2.38 0.02 0.00 0.04 0.00 0.00 34.50 32.16 1kee s PRO 233 CO 0.53 -1.09 1.15 -0.44 0.04 0.00 0.00 177.00 177.20 1kee h ASP 234 N 1.72 0.00 -4.62 6.66 3.32 0.17 -3.47 116.42 120.20 1kee h ASP 234 Ca -0.51 0.00 0.10 0.00 0.02 0.00 0.00 57.03 56.64 1kee h ASP 234 Cb 1.29 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.68 1kee h ASP 234 CO 0.58 0.33 0.48 -0.83 -1.72 0.00 0.00 179.24 178.08 1kee s GLY 235 N -4.51 -0.46 -0.13 2.75 0.00 -1.15 -4.49 107.32 99.32 1kee s GLY 235 Ca 0.01 1.09 0.02 0.00 0.00 0.00 0.00 44.72 45.84 1kee s GLY 235 CO 0.77 0.41 -0.20 -0.42 0.00 0.00 0.00 173.10 173.66 1kee s ILE 236 N -2.92 2.32 -0.06 0.90 1.01 0.45 -0.95 121.20 121.95 1kee s ILE 236 Ca 0.04 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 59.83 1kee s ILE 236 Cb -0.01 -1.94 -0.02 0.00 0.01 0.00 0.00 42.46 40.50 1kee s ILE 236 CO -0.08 0.54 -0.19 0.12 0.00 0.00 0.00 174.94 175.34 1kee s PHE 237 N 0.63 2.59 -0.37 3.97 5.36 0.24 -1.58 117.98 128.82 1kee s PHE 237 Ca -0.10 -0.42 -0.05 0.00 -0.96 0.00 0.00 56.93 55.39 1kee s PHE 237 Cb -0.16 -1.64 0.07 0.00 -0.34 0.00 0.00 43.02 40.95 1kee s PHE 237 CO 0.03 -0.01 0.14 -0.51 -1.46 0.00 0.00 175.22 173.41 1kee s LEU 238 N -0.40 4.65 1.13 6.12 1.43 -0.59 0.90 118.68 131.93 1kee s LEU 238 Ca 0.04 -1.45 -0.15 0.00 -1.03 0.00 0.00 54.13 51.54 1kee s LEU 238 Cb -0.12 -1.86 0.26 0.00 0.03 0.00 0.00 46.19 44.50 1kee s LEU 238 CO 0.02 -0.41 1.06 -0.94 0.23 0.00 0.00 176.35 176.30 1kee s SER 239 N 1.65 1.43 0.77 2.29 1.04 -0.94 -1.90 113.70 118.03 1kee s SER 239 Ca 0.01 1.15 -0.09 0.00 0.48 0.00 0.00 55.95 57.49 1kee s SER 239 Cb -0.21 -1.76 0.08 0.00 0.10 0.00 0.00 66.02 64.22 1kee s SER 239 CO 0.00 -3.87 1.11 0.54 0.98 0.00 0.00 173.24 172.00 1kee s ASN 240 N -3.21 4.59 0.00 7.02 4.22 -1.16 -1.40 114.94 125.00 1kee s ASN 240 Ca 0.68 0.59 0.00 0.00 -2.14 0.00 0.00 52.86 51.98 1kee s ASN 240 Cb -0.19 -1.13 0.00 0.00 1.28 0.00 0.00 41.25 41.21 1kee s ASN 240 CO 0.60 -1.80 0.00 0.61 -2.04 0.00 0.00 177.10 174.47 1kee n GLY 241 N -3.14 0.82 3.89 0.45 0.00 -1.25 -3.37 105.19 102.58 1kee n GLY 241 Ca 0.08 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.98 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 2.12 1.75 1.61 0.04 -1.26 -4.68 135.00 132.58 1kee s PRO 242 Ca 0.00 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.23 1kee s PRO 242 Cb 0.00 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1kee s PRO 242 CO 0.00 -1.50 0.00 0.41 0.04 0.00 0.00 177.00 175.95 1kee n GLY 243 N -3.20 -1.26 3.73 0.56 0.00 -1.26 -3.74 105.19 100.01 1kee n GLY 243 Ca 0.08 -1.22 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 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 -4.00 7.39 0.12 1.61 3.68 -0.41 -4.93 116.67 120.13 1kee s ASP 244 Ca 0.00 1.67 -0.12 0.00 2.13 0.00 0.00 52.55 56.22 1kee s ASP 244 Cb 0.00 -2.55 -0.08 0.00 -1.45 0.00 0.00 42.92 38.84 1kee s ASP 244 CO 0.00 -0.08 1.43 1.55 0.13 0.00 0.00 175.17 178.20 1kee h PRO 245 N 5.83 0.85 -0.95 4.34 0.13 -1.88 -3.38 132.00 136.94 1kee h PRO 245 Ca -0.43 -0.49 0.13 0.00 -0.87 0.00 0.00 66.00 64.35 1kee h PRO 245 Cb 1.21 0.04 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 1kee h PRO 245 CO 0.72 1.13 -0.44 0.00 -0.23 0.00 0.00 178.00 179.17 1kee h ALA 246 N 0.71 -0.07 0.00 -0.56 0.00 -1.95 -0.81 119.26 116.58 1kee h ALA 246 Ca 0.04 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1kee h ALA 246 Cb 1.02 1.10 0.00 0.00 0.00 0.00 0.00 17.79 19.91 1kee h ALA 246 CO 0.10 -0.73 0.00 -0.35 0.00 0.00 0.00 179.25 178.27 1kee n PRO 247 N -5.41 0.35 -2.05 0.00 -0.04 -1.26 -4.17 135.00 122.41 1kee n PRO 247 Ca 0.07 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.13 1kee n PRO 247 Cb 0.36 -1.22 -0.00 0.00 -0.04 0.00 0.00 33.50 32.59 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 4.69 -1.35 -0.49 0.00 -0.00 -1.86 -1.59 116.42 115.83 1kee h ASP 249 Ca 0.67 0.26 0.10 0.00 -0.00 0.00 0.00 57.03 58.06 1kee h ASP 249 Cb 0.33 0.67 -0.10 0.00 -0.00 0.00 0.00 39.33 40.23 1kee h ASP 249 CO 1.48 -0.30 -0.19 0.10 -0.00 0.00 0.00 179.24 180.33 1kee h TYR 250 N -0.11 -0.47 0.26 4.15 -0.00 -1.94 0.11 116.97 118.97 1kee h TYR 250 Ca 0.26 0.05 -0.01 0.00 0.00 0.00 0.00 58.73 59.03 1kee h TYR 250 Cb 0.56 0.28 0.00 0.00 0.00 0.00 0.00 36.73 37.58 1kee h TYR 250 CO -0.75 -0.28 -0.12 0.00 -0.00 0.00 0.00 178.16 177.01 1kee h ALA 251 N 1.30 -0.35 -0.64 0.10 0.00 -1.62 0.69 119.26 118.75 1kee h ALA 251 Ca 0.23 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.10 1kee h ALA 251 Cb 0.44 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1kee h ALA 251 CO -0.55 -0.63 0.42 0.82 0.00 0.00 0.00 179.25 179.32 1kee h ILE 252 N -0.48 0.97 0.32 0.00 2.04 -0.80 0.23 117.51 119.78 1kee h ILE 252 Ca -0.04 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 1kee h ILE 252 Cb 0.36 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1kee h ILE 252 CO 0.06 0.11 -0.15 0.74 0.00 0.00 0.00 178.15 178.90 1kee h THR 253 N 0.58 0.67 -0.98 -0.27 2.02 -0.40 -2.60 112.91 111.94 1kee h THR 253 Ca 0.28 -0.56 0.10 0.00 0.77 0.00 0.00 66.41 67.01 1kee h THR 253 Cb 0.36 0.95 -0.08 0.00 -1.74 0.00 0.00 68.15 67.64 1kee h THR 253 CO -0.09 0.11 0.62 0.00 0.37 0.00 0.00 175.52 176.52 1kee h ALA 254 N -0.22 1.44 -0.62 6.16 0.00 -0.13 -2.21 119.26 123.68 1kee h ALA 254 Ca -0.04 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1kee h ALA 254 Cb 0.50 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1kee h ALA 254 CO 0.07 0.27 0.14 0.82 0.00 0.00 0.00 179.25 180.55 1kee h ILE 255 N 1.02 1.25 -0.65 0.00 2.04 -0.93 -1.09 117.51 119.14 1kee h ILE 255 Ca 0.47 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 1kee h ILE 255 Cb 0.39 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1kee h ILE 255 CO -0.24 0.34 0.35 1.56 0.00 0.00 0.00 178.15 180.16 1kee h GLN 256 N 0.93 0.90 0.42 2.37 4.20 -1.00 0.28 115.11 123.22 1kee h GLN 256 Ca 0.20 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 1kee h GLN 256 Cb 0.34 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1kee h GLN 256 CO 0.00 0.67 -0.20 0.87 -0.67 0.00 0.00 178.83 179.50 1kee h LYS 257 N 0.91 -0.54 -0.65 1.46 6.56 -1.09 -1.95 116.57 121.26 1kee h LYS 257 Ca 0.23 0.04 0.17 0.00 -1.06 0.00 0.00 60.65 60.03 1kee h LYS 257 Cb 0.04 0.12 -0.03 0.00 -0.57 0.00 0.00 32.23 31.79 1kee h LYS 257 CO -0.04 -0.31 0.46 0.74 -2.06 0.00 0.00 179.45 178.24 1kee h PHE 258 N -0.67 0.12 0.00 -1.35 0.04 -0.32 0.22 116.94 114.99 1kee h PHE 258 Ca -0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.72 1kee h PHE 258 Cb 0.49 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.60 1kee h PHE 258 CO -0.02 0.04 0.00 1.28 -0.60 0.00 0.00 178.31 179.01 1kee n LEU 259 N -4.39 0.00 0.03 1.54 4.77 0.88 -2.22 117.00 117.62 1kee n LEU 259 Ca 0.12 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.15 1kee n LEU 259 Cb 0.65 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.65 1kee n LEU 259 CO 0.36 0.00 -0.40 -0.62 -1.33 0.00 0.00 177.39 175.40 1kee n GLU 260 N -0.94 0.63 -1.93 3.23 1.02 0.78 -4.92 120.64 118.51 1kee n GLU 260 Ca 0.17 0.07 -0.22 0.00 -0.02 0.00 0.00 57.16 57.16 1kee n GLU 260 Cb 0.08 -1.72 0.13 0.00 -0.02 0.00 0.00 31.44 29.91 1kee n GLU 260 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1kee n THR 261 N -2.66 0.00 0.06 2.62 -2.24 -0.94 -5.02 114.28 106.09 1kee n THR 261 Ca -0.08 -1.08 0.08 0.00 -2.27 0.00 0.00 64.05 60.70 1kee n THR 261 Cb 0.72 -1.27 0.17 0.00 -2.10 0.00 0.00 70.33 67.85 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 -3.30 3.00 -4.73 3.42 8.00 -1.26 -4.92 116.55 116.75 1kee n ASP 262 Ca 0.14 -1.89 -0.41 0.00 0.71 0.00 0.00 54.79 53.34 1kee n ASP 262 Cb 0.49 -0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 41.34 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 -1.11 3.19 0.18 0.53 1.01 -1.26 -4.82 121.20 118.90 1kee s ILE 263 Ca 0.28 0.96 -0.30 0.00 0.00 0.00 0.00 60.65 61.59 1kee s ILE 263 Cb 0.16 -3.61 -0.08 0.00 0.01 0.00 0.00 42.46 38.94 1kee s ILE 263 CO 0.22 0.13 1.32 -2.84 0.00 0.00 0.00 174.94 173.77 1kee s PRO 264 N 0.05 4.38 -0.08 2.79 0.02 -1.26 -4.80 135.00 136.10 1kee s PRO 264 Ca 0.58 2.04 0.04 0.00 0.02 0.00 0.00 61.00 63.67 1kee s PRO 264 Cb -0.37 -3.21 0.00 0.00 0.02 0.00 0.00 34.50 30.94 1kee s PRO 264 CO 0.37 -0.28 -0.20 0.08 -0.33 0.00 0.00 177.00 176.64 1kee s VAL 265 N 0.34 1.72 -0.04 3.83 1.01 -0.26 -0.41 120.40 126.59 1kee s VAL 265 Ca 0.58 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.74 1kee s VAL 265 Cb -0.36 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.54 1kee s VAL 265 CO 0.36 0.48 -0.03 0.12 0.00 0.00 0.00 175.10 176.04 1kee s PHE 266 N 0.40 0.55 0.06 5.22 5.36 -0.62 -0.52 117.98 128.43 1kee s PHE 266 Ca -0.16 -0.11 0.07 0.00 -0.96 0.00 0.00 56.93 55.77 1kee s PHE 266 Cb -0.17 -0.54 -0.03 0.00 -0.34 0.00 0.00 43.02 41.95 1kee s PHE 266 CO 0.07 -0.16 -0.18 0.20 -1.46 0.00 0.00 175.22 173.69 1kee s GLY 267 N 0.91 1.04 -0.09 13.12 0.00 -0.32 -1.54 107.32 120.44 1kee s GLY 267 Ca -0.11 -1.03 0.13 0.00 0.00 0.00 0.00 44.72 43.71 1kee s GLY 267 CO -0.01 -0.99 1.09 1.39 0.00 0.00 0.00 173.10 174.58 1kee n ILE 268 N 1.67 1.45 0.00 0.90 5.41 -0.80 -0.51 119.36 127.48 1kee n ILE 268 Ca -0.18 -1.71 0.00 0.00 1.00 0.00 0.00 62.75 61.86 1kee n ILE 268 Cb 0.54 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.47 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 -1.07 0.00 0.28 1.39 7.94 -1.26 -3.00 117.00 121.29 1kee n LEU 270 Ca 0.11 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 55.14 1kee n LEU 270 Cb 0.59 0.00 0.83 0.00 0.53 0.00 0.00 43.42 45.37 1kee n LEU 270 CO 0.01 0.00 1.09 1.23 -1.11 0.00 0.00 177.39 178.61 1kee h GLY 271 N 0.00 0.00 1.39 -3.96 0.00 -1.37 0.24 103.07 99.37 1kee h GLY 271 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 1kee h GLY 271 CO 0.00 0.00 -1.41 0.84 0.00 0.00 0.00 176.54 175.97 1kee h HIS 272 N 0.00 0.80 -0.14 5.60 -0.00 -1.73 -1.76 115.15 117.92 1kee h HIS 272 Ca -0.00 -0.59 -0.02 0.00 -0.00 0.00 0.00 60.37 59.76 1kee h HIS 272 Cb 0.04 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 27.42 1kee h HIS 272 CO 0.00 1.46 -0.00 1.96 -0.00 0.00 0.00 177.93 181.35 1kee h GLN 273 N 0.12 0.24 -0.64 5.26 4.20 -1.64 -1.98 115.11 120.66 1kee h GLN 273 Ca -0.22 -0.08 0.03 0.00 0.06 0.00 0.00 58.65 58.45 1kee h GLN 273 Cb 2.10 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 29.82 1kee h GLN 273 CO 0.25 0.47 0.40 -0.07 -0.67 0.00 0.00 178.83 179.21 1kee h LEU 274 N -0.02 0.64 -1.10 1.46 3.38 -0.64 0.38 115.31 119.41 1kee h LEU 274 Ca 0.04 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1kee h LEU 274 Cb 0.37 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1kee h LEU 274 CO 0.01 0.45 0.22 0.25 0.09 0.00 0.00 178.44 179.46 1kee h LEU 275 N 0.77 0.79 -0.34 1.67 5.85 -1.21 -1.53 115.31 121.31 1kee h LEU 275 Ca 0.26 -0.11 -0.18 0.00 0.84 0.00 0.00 57.88 58.69 1kee h LEU 275 Cb 0.03 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 1kee h LEU 275 CO -0.11 0.72 -0.54 0.00 -0.34 0.00 0.00 178.44 178.17 1kee h ALA 276 N 1.40 0.51 -0.03 1.25 0.00 -0.55 -2.28 119.26 119.56 1kee h ALA 276 Ca 0.20 -0.51 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1kee h ALA 276 Cb 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1kee h ALA 276 CO -0.02 0.68 -0.03 -0.07 0.00 0.00 0.00 179.25 179.81 1kee h LEU 277 N 0.64 -0.10 -2.77 0.00 3.38 -0.58 0.16 115.31 116.04 1kee h LEU 277 Ca 0.02 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1kee h LEU 277 Cb 1.14 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 1kee h LEU 277 CO 0.12 -0.05 -0.00 0.00 0.09 0.00 0.00 178.44 178.60 1kee h ALA 278 N 0.98 1.01 -0.19 1.53 0.00 -1.27 0.56 119.26 121.89 1kee h ALA 278 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1kee h ALA 278 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1kee h ALA 278 CO -0.06 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.62 1kee n SER 279 N -3.10 2.48 0.00 0.00 7.64 -0.72 -4.79 113.62 115.14 1kee n SER 279 Ca -0.02 -1.83 0.00 0.00 1.01 0.00 0.00 58.87 58.03 1kee n SER 279 Cb 0.10 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 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 1.30 0.92 3.97 0.23 0.00 0.19 -4.68 105.19 107.13 1kee n GLY 280 Ca 0.17 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 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 3.88 -0.01 4.61 0.00 0.49 -4.65 121.76 124.07 1kee s ALA 281 Ca 0.00 -1.28 0.05 0.00 0.00 0.00 0.00 51.96 50.73 1kee s ALA 281 Cb 0.00 -2.09 -0.03 0.00 0.00 0.00 0.00 23.12 21.01 1kee s ALA 281 CO 0.00 -0.69 -0.17 0.15 0.00 0.00 0.00 175.76 175.06 1kee s LYS 282 N -4.73 2.29 0.08 0.00 1.02 -1.26 -4.18 119.74 112.96 1kee s LYS 282 Ca 0.56 -0.83 0.02 0.00 0.02 0.00 0.00 55.97 55.74 1kee s LYS 282 Cb -0.10 -2.27 -0.04 0.00 -0.52 0.00 0.00 37.83 34.90 1kee s LYS 282 CO 0.38 0.58 0.13 0.95 -0.92 0.00 0.00 175.35 176.48 1kee s THR 283 N -0.80 4.85 0.15 2.17 -4.23 -1.26 -0.44 115.64 116.08 1kee s THR 283 Ca 0.13 -0.65 0.05 0.00 -1.18 0.00 0.00 61.69 60.04 1kee s THR 283 Cb -0.10 -3.36 -0.04 0.00 1.34 0.00 0.00 72.50 70.34 1kee s THR 283 CO 0.02 0.12 -0.12 0.68 -0.54 0.00 0.00 174.62 174.78 1kee s VAL 284 N -1.45 1.30 -0.18 2.29 -7.23 0.10 -4.89 120.40 110.35 1kee s VAL 284 Ca 0.31 -1.99 -0.17 0.00 -1.81 0.00 0.00 61.98 58.33 1kee s VAL 284 Cb -0.12 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.99 1kee s VAL 284 CO 0.24 -0.63 0.42 -0.75 -0.31 0.00 0.00 175.10 174.07 1kee s LYS 285 N -3.43 4.22 0.72 4.82 2.20 -1.26 0.21 119.74 127.22 1kee s LYS 285 Ca 0.15 0.28 -0.11 0.00 -0.36 0.00 0.00 55.97 55.93 1kee s LYS 285 Cb -0.00 -3.50 0.02 0.00 -1.51 0.00 0.00 37.83 32.84 1kee s LYS 285 CO 0.02 0.02 1.07 -1.64 -0.36 0.00 0.00 175.35 174.46 1kee s MET 286 N 1.10 2.76 0.13 4.03 -1.94 0.34 -4.92 119.30 120.79 1kee s MET 286 Ca 0.21 0.91 -0.25 0.00 -1.71 0.00 0.00 55.69 54.86 1kee s MET 286 Cb -0.15 -1.97 -0.02 0.00 2.01 0.00 0.00 34.83 34.70 1kee s MET 286 CO 0.08 -1.22 1.63 -0.22 -0.01 0.00 0.00 175.02 175.29 1kee h LYS 287 N -0.80 -0.34 0.00 2.03 3.64 -1.97 -3.38 116.57 115.74 1kee h LYS 287 Ca -0.44 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1kee h LYS 287 Cb 1.22 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1kee h LYS 287 CO 0.57 -0.22 -0.00 1.97 -2.27 0.00 0.00 179.45 179.49 1kee n PHE 288 N -5.38 0.00 -2.94 1.91 1.16 -1.26 -0.86 117.46 110.09 1kee n PHE 288 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.55 1kee n PHE 288 Cb 0.29 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.16 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 0.11 -1.89 2.88 4.97 0.00 -1.26 -4.83 105.19 105.18 1kee n GLY 289 Ca 0.00 -1.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.16 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 2.06 -0.32 1.61 0.09 -0.10 -4.99 115.29 113.64 1kee s HIS 290 Ca 0.00 -1.57 -0.01 0.00 -0.00 0.00 0.00 55.06 53.48 1kee s HIS 290 Cb 0.00 -1.48 0.11 0.00 -0.00 0.00 0.00 32.58 31.20 1kee s HIS 290 CO 0.00 -0.74 0.12 -1.01 -0.00 0.00 0.00 174.74 173.11 1kee s HIS 291 N 1.51 1.42 -1.59 1.40 3.76 -1.26 -0.62 115.29 119.91 1kee s HIS 291 Ca -0.04 -1.63 0.00 0.00 -0.15 0.00 0.00 55.06 53.24 1kee s HIS 291 Cb -0.18 -1.53 0.00 0.00 1.11 0.00 0.00 32.58 31.97 1kee s HIS 291 CO -0.07 -0.86 0.00 0.41 -0.85 0.00 0.00 174.74 173.37 1kee n GLY 292 N 4.76 -1.42 2.03 -2.22 0.00 -1.00 -1.58 105.19 105.77 1kee n GLY 292 Ca -0.01 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.10 2.11 0.54 -0.02 0.00 -1.26 -0.84 105.19 105.62 1kee n GLY 293 Ca 0.00 -1.12 0.01 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.19 0.24 -4.65 1.61 6.94 -1.17 -4.52 115.26 113.51 1kee n ASN 294 Ca 0.11 -2.08 -0.43 0.00 -0.02 0.00 0.00 54.58 52.16 1kee n ASN 294 Cb 0.95 -0.22 -0.02 0.00 -2.36 0.00 0.00 39.78 38.12 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 -0.21 3.31 -0.05 -2.53 2.46 -0.97 -4.74 115.29 112.57 1kee s HIS 295 Ca 0.05 1.37 -0.30 0.00 0.47 0.00 0.00 55.06 56.65 1kee s HIS 295 Cb 0.05 -3.26 -0.03 0.00 -0.13 0.00 0.00 32.58 29.21 1kee s HIS 295 CO -0.01 -0.49 1.07 -1.25 -2.47 0.00 0.00 174.74 171.58 1kee s PRO 296 N 3.17 4.44 -0.10 2.88 0.04 -1.26 -0.01 135.00 144.16 1kee s PRO 296 Ca 0.42 1.51 0.02 0.00 0.04 0.00 0.00 61.00 62.99 1kee s PRO 296 Cb -0.15 -3.50 0.01 0.00 0.04 0.00 0.00 34.50 30.91 1kee s PRO 296 CO 0.07 -0.27 -0.15 0.08 0.04 0.00 0.00 177.00 176.78 1kee s VAL 297 N 1.67 1.45 -0.09 -0.36 1.01 0.05 -0.09 120.40 124.04 1kee s VAL 297 Ca 0.52 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.74 1kee s VAL 297 Cb -0.22 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 1kee s VAL 297 CO 0.23 0.43 0.35 -0.75 0.00 0.00 0.00 175.10 175.36 1kee s LYS 298 N 0.98 4.06 -0.74 2.72 2.20 0.78 -1.43 119.74 128.30 1kee s LYS 298 Ca -0.07 0.25 -0.23 0.00 -0.36 0.00 0.00 55.97 55.55 1kee s LYS 298 Cb -0.15 -3.33 0.06 0.00 -1.51 0.00 0.00 37.83 32.91 1kee s LYS 298 CO -0.01 0.44 1.10 0.34 -0.36 0.00 0.00 175.35 176.87 1kee s ASP 299 N -0.22 6.24 0.61 1.43 3.68 0.36 -1.47 116.67 127.30 1kee s ASP 299 Ca 0.21 -0.99 0.37 0.00 2.13 0.00 0.00 52.55 54.26 1kee s ASP 299 Cb -0.15 -2.47 1.97 0.00 -1.45 0.00 0.00 42.92 40.83 1kee s ASP 299 CO 0.08 -1.52 2.23 -0.37 0.13 0.00 0.00 175.17 175.73 1kee h VAL 300 N 6.04 0.20 -0.05 1.11 -1.51 -1.65 0.97 116.25 121.36 1kee h VAL 300 Ca -0.20 -0.19 -0.06 0.00 -1.23 0.00 0.00 66.70 65.01 1kee h VAL 300 Cb 1.06 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 1kee h VAL 300 CO 1.22 0.02 -0.21 -0.33 -1.23 0.00 0.00 177.57 177.04 1kee h GLU 301 N 0.00 0.24 0.00 5.19 5.08 -1.90 -3.32 114.58 119.87 1kee h GLU 301 Ca -0.00 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1kee h GLU 301 Cb 0.15 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1kee h GLU 301 CO 0.00 0.82 -1.10 1.63 -1.00 0.00 0.00 179.01 179.37 1kee n LYS 302 N -4.54 0.09 -3.31 2.33 5.02 -1.09 -4.99 118.16 111.67 1kee n LYS 302 Ca -0.08 -0.02 -0.16 0.00 -2.02 0.00 0.00 58.31 56.02 1kee n LYS 302 Cb 0.44 -1.51 0.08 0.00 -0.02 0.00 0.00 35.03 34.02 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 -1.61 -3.49 -4.26 4.39 5.15 0.33 -5.02 115.26 110.75 1kee n ASN 303 Ca 0.03 -0.62 -0.20 0.00 -0.60 0.00 0.00 54.58 53.19 1kee n ASN 303 Cb 0.36 -4.98 -0.11 0.00 -0.53 0.00 0.00 39.78 34.52 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 -3.36 1.49 -0.07 3.44 -7.23 -1.06 -4.96 120.40 108.66 1kee s VAL 304 Ca 0.14 -1.69 -0.00 0.00 -1.81 0.00 0.00 61.98 58.62 1kee s VAL 304 Cb -0.02 -1.56 -0.03 0.00 0.56 0.00 0.00 36.38 35.33 1kee s VAL 304 CO 0.70 -0.31 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.46 1kee s VAL 305 N -1.85 3.96 -0.00 1.32 1.01 -1.26 -0.49 120.40 123.08 1kee s VAL 305 Ca 0.09 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 61.72 1kee s VAL 305 Cb -0.07 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 1kee s VAL 305 CO 0.04 0.58 -0.17 0.00 0.00 0.00 0.00 175.10 175.55 1kee s MET 306 N -0.90 1.36 -0.19 2.72 0.23 -0.52 -4.96 119.30 117.05 1kee s MET 306 Ca 0.13 -0.65 -0.22 0.00 -1.03 0.00 0.00 55.69 53.92 1kee s MET 306 Cb -0.11 -1.34 -0.02 0.00 -1.53 0.00 0.00 34.83 31.83 1kee s MET 306 CO 0.02 0.36 0.68 0.42 -2.03 0.00 0.00 175.02 174.47 1kee s ILE 307 N -0.47 4.99 0.27 3.16 -1.09 -1.26 -0.77 121.20 126.03 1kee s ILE 307 Ca 0.06 1.29 0.08 0.00 -2.23 0.00 0.00 60.65 59.86 1kee s ILE 307 Cb -0.07 -3.99 -0.05 0.00 -1.58 0.00 0.00 42.46 36.77 1kee s ILE 307 CO -0.00 0.10 -0.11 0.42 -1.23 0.00 0.00 174.94 174.11 1kee s THR 308 N 1.93 1.90 -0.19 2.92 -4.23 0.98 -4.26 115.64 114.69 1kee s THR 308 Ca 0.31 -2.21 -0.18 0.00 -1.18 0.00 0.00 61.69 58.43 1kee s THR 308 Cb -0.16 -2.34 -0.04 0.00 1.34 0.00 0.00 72.50 71.31 1kee s THR 308 CO 0.11 -0.39 0.48 0.00 -0.54 0.00 0.00 174.62 174.28 1kee s ALA 309 N -2.86 3.54 0.07 3.99 0.00 -1.26 -2.30 121.76 122.94 1kee s ALA 309 Ca 0.28 -0.42 0.09 0.00 0.00 0.00 0.00 51.96 51.91 1kee s ALA 309 Cb 0.01 -2.74 -0.03 0.00 0.00 0.00 0.00 23.12 20.35 1kee s ALA 309 CO 0.12 -0.36 -0.26 -0.65 0.00 0.00 0.00 175.76 174.61 1kee s GLN 310 N 1.45 1.64 -0.48 0.00 -1.52 -0.02 -1.50 119.66 119.24 1kee s GLN 310 Ca 0.23 -1.15 0.06 0.00 -1.95 0.00 0.00 55.36 52.54 1kee s GLN 310 Cb -0.15 -1.89 0.26 0.00 -0.22 0.00 0.00 33.01 31.01 1kee s GLN 310 CO 0.09 0.48 0.96 -1.71 -0.25 0.00 0.00 175.29 174.86 1kee n ASN 311 N 1.55 -2.74 -3.73 5.90 5.15 -0.79 -2.38 115.26 118.23 1kee n ASN 311 Ca -0.17 -3.39 -0.13 0.00 -0.60 0.00 0.00 54.58 50.28 1kee n ASN 311 Cb 0.52 1.85 -0.09 0.00 -0.53 0.00 0.00 39.78 41.53 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 0.58 -0.39 -0.55 1.20 -3.43 0.21 -4.99 115.29 107.91 1kee s HIS 312 Ca 0.29 0.89 0.13 0.00 -0.80 0.00 0.00 55.06 55.58 1kee s HIS 312 Cb 0.25 0.15 -0.16 0.00 -1.43 0.00 0.00 32.58 31.39 1kee s HIS 312 CO -0.19 -0.28 0.54 0.41 -2.00 0.00 0.00 174.74 173.21 1kee n GLY 313 N 2.35 -0.33 3.50 -1.38 0.00 -1.26 -0.92 105.19 107.15 1kee n GLY 313 Ca -0.16 -0.38 -0.25 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 -2.37 2.40 0.05 1.61 0.08 -1.26 0.13 117.98 118.61 1kee s PHE 314 Ca 0.04 -0.31 -0.04 0.00 0.12 0.00 0.00 56.93 56.73 1kee s PHE 314 Cb 0.10 -1.10 -0.02 0.00 -0.57 0.00 0.00 43.02 41.43 1kee s PHE 314 CO 0.56 0.61 0.07 0.00 -0.10 0.00 0.00 175.22 176.36 1kee s ALA 315 N -2.13 0.08 -0.12 5.36 0.00 0.13 -4.84 121.76 120.24 1kee s ALA 315 Ca 0.27 -0.75 -0.28 0.00 0.00 0.00 0.00 51.96 51.19 1kee s ALA 315 Cb -0.07 0.29 -0.01 0.00 0.00 0.00 0.00 23.12 23.33 1kee s ALA 315 CO 0.14 -0.36 0.95 0.08 0.00 0.00 0.00 175.76 176.57 1kee s VAL 316 N -3.16 4.82 -0.34 0.00 1.01 -1.26 0.00 120.40 121.48 1kee s VAL 316 Ca -0.00 1.92 -0.29 0.00 0.00 0.00 0.00 61.98 63.61 1kee s VAL 316 Cb 0.02 -4.26 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 1kee s VAL 316 CO -0.07 0.02 1.62 -0.62 0.00 0.00 0.00 175.10 176.05 1kee s ASP 317 N 1.09 6.14 0.37 3.32 3.68 0.42 -4.48 116.67 127.21 1kee s ASP 317 Ca 0.45 1.19 0.04 0.00 2.13 0.00 0.00 52.55 56.37 1kee s ASP 317 Cb -0.18 -2.53 0.72 0.00 -1.45 0.00 0.00 42.92 39.48 1kee s ASP 317 CO 0.17 -1.52 2.01 -0.08 0.13 0.00 0.00 175.17 175.87 1kee h GLU 318 N 11.68 0.66 -0.33 4.34 4.81 -1.94 -2.28 114.58 131.53 1kee h GLU 318 Ca -0.31 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1kee h GLU 318 Cb 1.14 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.38 1kee h GLU 318 CO 1.04 0.47 0.00 0.00 -0.73 0.00 0.00 179.01 179.80 1kee n ALA 319 N -2.46 2.33 -0.39 2.92 0.00 -1.26 -2.34 120.51 119.31 1kee n ALA 319 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1kee n ALA 319 Cb 0.08 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1kee n ALA 319 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1kee n THR 320 N -0.28 0.43 -2.01 0.00 -2.24 -0.86 -5.05 114.28 104.27 1kee n THR 320 Ca 0.00 -0.52 -0.43 0.00 -2.27 0.00 0.00 64.05 60.83 1kee n THR 320 Cb 0.08 0.90 -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 -0.43 4.10 0.91 3.22 2.96 -0.99 -4.44 118.68 124.01 1kee s LEU 321 Ca 0.00 1.99 -0.12 0.00 -0.22 0.00 0.00 54.13 55.78 1kee s LEU 321 Cb 0.00 -3.53 0.07 0.00 0.50 0.00 0.00 46.19 43.23 1kee s LEU 321 CO 0.00 -1.13 0.75 -0.81 -1.32 0.00 0.00 176.35 173.84 1kee n PRO 322 N 7.47 -0.26 0.28 0.98 -0.04 -1.26 -4.85 135.00 137.32 1kee n PRO 322 Ca 0.19 -0.02 0.18 0.00 -0.04 0.00 0.00 63.50 63.81 1kee n PRO 322 Cb 0.44 -2.10 0.76 0.00 -0.04 0.00 0.00 33.50 32.56 1kee n PRO 322 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kee h ALA 323 N -1.52 1.01 0.00 0.55 0.00 -1.94 -1.68 119.26 115.67 1kee h ALA 323 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1kee h ALA 323 Cb 1.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1kee h ALA 323 CO 0.38 0.02 0.00 0.27 0.00 0.00 0.00 179.25 179.92 1kee n ASN 324 N -3.12 0.00 -4.12 0.00 2.04 -1.26 -4.51 115.26 104.29 1kee n ASN 324 Ca -0.00 -1.15 -0.34 0.00 -0.44 0.00 0.00 54.58 52.65 1kee n ASN 324 Cb 0.27 0.00 -0.14 0.00 -2.53 0.00 0.00 39.78 37.39 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 -1.80 4.17 0.01 -4.53 1.43 -0.63 -0.47 118.68 116.86 1kee s LEU 325 Ca 0.36 -1.56 -0.09 0.00 -1.03 0.00 0.00 54.13 51.81 1kee s LEU 325 Cb 0.17 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.65 1kee s LEU 325 CO 0.28 -0.31 0.32 0.00 0.23 0.00 0.00 176.35 176.87 1kee s ARG 326 N 1.15 3.68 -0.02 1.70 1.70 0.76 -4.74 118.95 123.18 1kee s ARG 326 Ca -0.01 0.08 -0.30 0.00 -0.47 0.00 0.00 55.73 55.03 1kee s ARG 326 Cb -0.20 -3.09 -0.03 0.00 -0.57 0.00 0.00 34.95 31.05 1kee s ARG 326 CO -0.03 0.64 1.11 0.08 -1.08 0.00 0.00 175.30 176.02 1kee s VAL 327 N -1.26 4.44 -0.14 4.99 1.01 -1.26 -0.83 120.40 127.35 1kee s VAL 327 Ca 0.27 1.75 0.05 0.00 0.00 0.00 0.00 61.98 64.05 1kee s VAL 327 Cb -0.14 -4.12 -0.12 0.00 0.00 0.00 0.00 36.38 32.00 1kee s VAL 327 CO 0.15 0.07 -0.06 0.35 0.00 0.00 0.00 175.10 175.61 1kee n THR 328 N 4.25 0.85 -3.96 3.92 -2.24 0.07 -4.87 114.28 112.30 1kee n THR 328 Ca 0.09 -0.41 -0.09 0.00 -2.27 0.00 0.00 64.05 61.36 1kee n THR 328 Cb 0.48 -0.88 -0.11 0.00 -2.10 0.00 0.00 70.33 67.72 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 -2.30 0.23 0.02 4.78 3.76 -1.19 -1.83 115.29 118.76 1kee s HIS 329 Ca -0.14 -0.47 -0.01 0.00 -0.15 0.00 0.00 55.06 54.29 1kee s HIS 329 Cb 0.05 -0.17 -0.02 0.00 1.11 0.00 0.00 32.58 33.55 1kee s HIS 329 CO 0.41 -0.20 -0.02 0.15 -0.85 0.00 0.00 174.74 174.24 1kee s LYS 330 N -1.41 0.36 0.21 1.40 1.02 -0.54 -0.44 119.74 120.33 1kee s LYS 330 Ca -0.15 -0.66 -0.30 0.00 0.02 0.00 0.00 55.97 54.88 1kee s LYS 330 Cb -0.09 0.13 -0.08 0.00 -0.52 0.00 0.00 37.83 37.26 1kee s LYS 330 CO -0.01 -0.06 1.17 0.45 -0.92 0.00 0.00 175.35 175.98 1kee s SER 331 N -1.62 7.13 0.00 2.83 0.15 0.32 -0.16 113.70 122.35 1kee s SER 331 Ca -0.13 2.24 0.26 0.00 0.70 0.00 0.00 55.95 59.01 1kee s SER 331 Cb -0.08 -2.61 0.65 0.00 -1.71 0.00 0.00 66.02 62.27 1kee s SER 331 CO -0.02 -0.31 1.51 0.18 1.20 0.00 0.00 173.24 175.80 1kee n LEU 332 N 2.17 0.49 -0.06 3.45 4.32 0.87 -1.21 117.00 127.03 1kee n LEU 332 Ca 0.03 0.03 -0.07 0.00 -0.02 0.00 0.00 56.01 55.98 1kee n LEU 332 Cb 0.45 -0.26 -0.06 0.00 -1.62 0.00 0.00 43.42 41.93 1kee n LEU 332 CO 0.55 0.12 0.06 -0.26 -1.22 0.00 0.00 177.39 176.64 1kee h PHE 333 N 0.15 0.00 -0.00 -1.77 0.04 -1.91 -3.43 116.94 110.02 1kee h PHE 333 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1kee h PHE 333 Cb 0.49 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.64 1kee h PHE 333 CO 0.00 0.47 -0.02 -0.40 -0.60 0.00 0.00 178.31 177.76 1kee n ASP 334 N -4.68 0.65 0.00 2.17 3.85 -1.26 -5.01 116.55 112.27 1kee n ASP 334 Ca -0.07 -0.82 0.00 0.00 -0.71 0.00 0.00 54.79 53.19 1kee n ASP 334 Cb 0.25 0.43 0.00 0.00 -1.35 0.00 0.00 41.12 40.46 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 0.48 0.70 3.78 6.12 0.00 -0.35 -5.00 105.19 110.92 1kee n GLY 335 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.63 3.41 0.12 2.61 -4.23 -1.26 -4.55 115.64 109.13 1kee s THR 336 Ca 0.00 0.56 -0.31 0.00 -1.18 0.00 0.00 61.69 60.75 1kee s THR 336 Cb 0.00 -3.08 -0.09 0.00 1.34 0.00 0.00 72.50 70.66 1kee s THR 336 CO 0.00 -0.50 1.58 -0.22 -0.54 0.00 0.00 174.62 174.94 1kee s LEU 337 N -5.32 4.37 0.00 4.79 2.96 -1.26 -0.52 118.68 123.69 1kee s LEU 337 Ca 0.63 2.54 0.00 0.00 -0.22 0.00 0.00 54.13 57.08 1kee s LEU 337 Cb -0.18 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.93 1kee s LEU 337 CO 0.48 -0.83 0.00 0.00 -1.32 0.00 0.00 176.35 174.68 1kee n GLN 338 N 4.58 1.24 -3.66 1.98 1.13 0.42 -4.74 117.38 118.32 1kee n GLN 338 Ca 0.14 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 55.07 1kee n GLN 338 Cb 0.40 -0.96 -0.07 0.00 0.11 0.00 0.00 30.24 29.72 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 -2.10 -0.29 0.03 1.08 0.00 -0.67 -0.36 107.32 105.01 1kee s GLY 339 Ca 0.00 0.40 -0.15 0.00 0.00 0.00 0.00 44.72 44.98 1kee s GLY 339 CO 0.00 0.14 0.32 -0.26 0.00 0.00 0.00 173.10 173.31 1kee s ILE 340 N -2.20 0.07 -0.02 0.90 -4.36 -0.91 -0.75 121.20 113.93 1kee s ILE 340 Ca -0.07 -0.61 0.00 0.00 -0.26 0.00 0.00 60.65 59.72 1kee s ILE 340 Cb -0.01 -0.89 0.02 0.00 1.25 0.00 0.00 42.46 42.83 1kee s ILE 340 CO -0.00 -0.33 0.02 -2.28 0.24 0.00 0.00 174.94 172.58 1kee s HIS 341 N -2.32 0.11 -0.00 1.37 2.46 -0.01 -1.32 115.29 115.57 1kee s HIS 341 Ca -0.07 0.07 -0.30 0.00 0.47 0.00 0.00 55.06 55.23 1kee s HIS 341 Cb -0.02 -0.25 -0.06 0.00 -0.13 0.00 0.00 32.58 32.13 1kee s HIS 341 CO -0.02 -0.08 1.43 1.03 -2.47 0.00 0.00 174.74 174.63 1kee s ARG 342 N 0.86 4.27 0.50 2.88 1.81 -0.33 -0.17 118.95 128.77 1kee s ARG 342 Ca -0.08 1.99 0.29 0.00 -1.72 0.00 0.00 55.73 56.22 1kee s ARG 342 Cb -0.11 -3.60 1.08 0.00 -0.45 0.00 0.00 34.95 31.87 1kee s ARG 342 CO -0.02 -0.60 1.88 1.79 -0.68 0.00 0.00 175.30 177.66 1kee h THR 343 N 4.96 0.18 -0.01 0.02 1.35 -1.09 -3.17 112.91 115.15 1kee h THR 343 Ca -0.38 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 1kee h THR 343 Cb 1.18 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.27 1kee h THR 343 CO 0.91 0.08 -0.24 -0.90 -0.25 0.00 0.00 175.52 175.12 1kee n ASP 344 N -3.19 1.25 -4.04 5.36 3.85 -1.26 -5.03 116.55 113.49 1kee n ASP 344 Ca 0.01 -1.12 -0.08 0.00 -0.71 0.00 0.00 54.79 52.89 1kee n ASP 344 Cb 0.38 0.49 -0.10 0.00 -1.35 0.00 0.00 41.12 40.54 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 -1.46 0.53 -0.57 0.11 -0.14 -1.20 -5.03 119.74 111.97 1kee s LYS 345 Ca 0.09 -1.00 -0.06 0.00 -1.36 0.00 0.00 55.97 53.64 1kee s LYS 345 Cb 0.09 0.19 -0.13 0.00 -1.68 0.00 0.00 37.83 36.29 1kee s LYS 345 CO 0.28 -0.10 2.62 -0.35 -0.76 0.00 0.00 175.35 177.04 1kee n PRO 346 N 0.58 2.06 -4.52 -1.68 -0.04 -1.26 -4.30 135.00 125.85 1kee n PRO 346 Ca -0.17 -1.22 -0.24 0.00 -0.04 0.00 0.00 63.50 61.83 1kee n PRO 346 Cb 0.59 -2.21 -0.16 0.00 -0.04 0.00 0.00 33.50 31.68 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 2.21 1.16 0.10 0.55 0.00 -1.26 -1.11 121.76 123.41 1kee s ALA 347 Ca 0.50 -0.36 -0.12 0.00 0.00 0.00 0.00 51.96 51.98 1kee s ALA 347 Cb 0.18 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.79 1kee s ALA 347 CO -0.02 0.10 0.28 -0.59 0.00 0.00 0.00 175.76 175.53 1kee s PHE 348 N 0.66 -0.01 0.04 0.00 -0.00 0.32 -1.19 117.98 117.81 1kee s PHE 348 Ca -0.14 -0.35 -0.15 0.00 -0.00 0.00 0.00 56.93 56.30 1kee s PHE 348 Cb -0.15 0.08 0.02 0.00 -0.00 0.00 0.00 43.02 42.97 1kee s PHE 348 CO 0.03 -0.60 0.33 -1.54 -0.00 0.00 0.00 175.22 173.44 1kee s SER 349 N -2.75 -0.16 -0.05 1.98 1.04 -0.44 -1.17 113.70 112.14 1kee s SER 349 Ca 0.03 -0.14 0.03 0.00 0.48 0.00 0.00 55.95 56.36 1kee s SER 349 Cb 0.03 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1kee s SER 349 CO -0.11 -0.62 -0.16 0.12 0.98 0.00 0.00 173.24 173.46 1kee s PHE 350 N -2.50 1.65 0.25 5.02 5.36 0.33 -2.14 117.98 125.95 1kee s PHE 350 Ca -0.05 -0.54 0.03 0.00 -0.96 0.00 0.00 56.93 55.41 1kee s PHE 350 Cb -0.01 -1.14 0.29 0.00 -0.34 0.00 0.00 43.02 41.82 1kee s PHE 350 CO -0.03 -0.22 1.61 0.37 -1.46 0.00 0.00 175.22 175.49 1kee h GLN 351 N 6.55 0.35 0.00 10.12 5.75 -1.01 -3.38 115.11 133.49 1kee h GLN 351 Ca -0.31 -0.20 0.00 0.00 -0.15 0.00 0.00 58.65 58.00 1kee h GLN 351 Cb 1.18 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.75 1kee h GLN 351 CO 0.48 0.76 0.00 0.41 -2.65 0.00 0.00 178.83 177.83 1kee n GLY 352 N 0.05 -0.92 2.94 2.39 0.00 -1.26 -4.80 105.19 103.59 1kee n GLY 352 Ca -0.02 -1.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.55 3.46 0.51 1.61 3.76 -0.56 -4.92 115.29 118.59 1kee s HIS 353 Ca 0.00 -3.25 0.24 0.00 -0.15 0.00 0.00 55.06 51.90 1kee s HIS 353 Cb 0.00 -2.80 1.33 0.00 1.11 0.00 0.00 32.58 32.22 1kee s HIS 353 CO 0.00 -0.63 1.96 -1.35 -0.85 0.00 0.00 174.74 173.87 1kee h PRO 354 N 5.85 0.10 0.00 8.40 0.11 -1.87 0.58 132.00 145.18 1kee h PRO 354 Ca 0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1kee h PRO 354 Cb 0.81 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1kee h PRO 354 CO 0.72 0.06 0.00 -0.85 -0.21 0.00 0.00 178.00 177.72 1kee n GLU 355 N -4.39 0.17 0.00 1.05 0.00 -1.26 -3.29 120.64 112.93 1kee n GLU 355 Ca 0.12 0.04 0.00 0.00 0.00 0.00 0.00 57.16 57.32 1kee n GLU 355 Cb 0.64 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.58 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 -1.41 0.00 -3.08 -1.84 0.00 0.20 -4.85 120.51 109.54 1kee n ALA 356 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.43 1kee n ALA 356 Cb 0.27 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.72 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 2.90 -7.36 -4.97 0.00 2.88 -1.26 -4.80 113.62 101.00 1kee n SER 357 Ca 0.00 0.12 -0.21 0.00 -1.33 0.00 0.00 58.87 57.45 1kee n SER 357 Cb 0.00 -4.63 -0.00 0.00 -0.75 0.00 0.00 64.21 58.83 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 -2.93 3.20 0.00 -1.46 0.04 -1.26 -4.79 135.00 127.80 1kee s PRO 358 Ca 0.16 -0.76 0.00 0.00 0.04 0.00 0.00 61.00 60.43 1kee s PRO 358 Cb -0.04 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.75 1kee s PRO 358 CO 0.79 0.06 0.00 0.41 0.04 0.00 0.00 177.00 178.30 1kee n GLY 359 N -1.72 0.85 3.74 0.56 0.00 -1.26 -4.82 105.19 102.53 1kee n GLY 359 Ca -0.02 -2.21 -0.37 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.94 2.69 0.00 1.61 0.02 -1.26 -4.87 135.00 132.25 1kee s PRO 360 Ca 0.00 2.11 0.27 0.00 0.02 0.00 0.00 61.00 63.41 1kee s PRO 360 Cb 0.00 -1.94 0.94 0.00 0.02 0.00 0.00 34.50 33.51 1kee s PRO 360 CO 0.00 -1.51 1.68 0.72 -0.33 0.00 0.00 177.00 177.56 1kee n HIS 361 N -1.70 0.00 -0.37 6.54 8.25 -1.26 -4.42 115.22 122.27 1kee n HIS 361 Ca 0.15 0.00 0.31 0.00 -0.26 0.00 0.00 57.72 57.92 1kee n HIS 361 Cb 0.47 -0.13 0.63 0.00 1.12 0.00 0.00 29.99 32.08 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 1.06 0.25 0.17 0.41 3.45 -1.92 -2.00 116.42 117.84 1kee h ASP 362 Ca 0.00 0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.52 1kee h ASP 362 Cb 0.45 0.03 0.00 0.00 -0.56 0.00 0.00 39.33 39.26 1kee h ASP 362 CO 0.00 0.00 -0.32 0.00 -1.57 0.00 0.00 179.24 177.35 1kee n ALA 363 N -2.60 3.21 -0.33 3.45 0.00 -1.26 -4.48 120.51 118.50 1kee n ALA 363 Ca 0.29 -0.46 0.27 0.00 0.00 0.00 0.00 53.44 53.54 1kee n ALA 363 Cb 1.16 -1.05 0.59 0.00 0.00 0.00 0.00 19.45 20.15 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 3.72 2.53 0.00 0.00 0.00 -1.34 -1.46 119.26 122.71 1kee h ALA 364 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1kee h ALA 364 Cb 0.57 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1kee h ALA 364 CO 0.00 -0.93 0.19 -1.35 0.00 0.00 0.00 179.25 177.16 1kee h PRO 365 N 0.25 0.00 -0.95 0.00 0.11 -1.82 -0.31 132.00 129.28 1kee h PRO 365 Ca 0.60 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.78 1kee h PRO 365 Cb 1.80 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.85 1kee h PRO 365 CO -0.22 0.00 0.61 -0.07 -0.21 0.00 0.00 178.00 178.11 1kee h LEU 366 N 0.00 0.95 -0.66 2.35 4.07 -1.62 -0.09 115.31 120.32 1kee h LEU 366 Ca 0.00 0.01 0.05 0.00 0.08 0.00 0.00 57.88 58.02 1kee h LEU 366 Cb 0.39 -0.19 -0.05 0.00 1.08 0.00 0.00 40.66 41.89 1kee h LEU 366 CO 0.00 0.60 0.38 -0.26 -1.08 0.00 0.00 178.44 178.08 1kee h PHE 367 N 1.07 0.69 -1.00 1.13 0.04 -1.28 -2.54 116.94 115.06 1kee h PHE 367 Ca 0.41 0.02 0.23 0.00 2.80 0.00 0.00 57.97 61.43 1kee h PHE 367 Cb 0.21 -0.22 -0.10 0.00 2.20 0.00 0.00 35.95 38.05 1kee h PHE 367 CO -0.00 0.35 0.63 -0.44 -0.60 0.00 0.00 178.31 178.25 1kee h ASP 368 N 0.71 0.60 -0.51 2.17 3.45 -1.13 -0.74 116.42 120.97 1kee h ASP 368 Ca 0.28 0.09 -0.12 0.00 0.43 0.00 0.00 57.03 57.72 1kee h ASP 368 Cb 0.14 -0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 38.88 1kee h ASP 368 CO -0.16 0.17 -0.12 -0.74 -1.57 0.00 0.00 179.24 176.81 1kee h HIS 369 N 0.56 1.13 0.00 4.55 2.76 -1.43 -2.01 115.15 120.70 1kee h HIS 369 Ca 0.58 -0.24 -0.03 0.00 -2.20 0.00 0.00 60.37 58.48 1kee h HIS 369 Cb 1.20 -0.28 -0.00 0.00 1.55 0.00 0.00 27.41 29.88 1kee h HIS 369 CO -0.00 1.05 -0.14 0.35 -1.30 0.00 0.00 177.93 177.89 1kee h PHE 370 N 0.89 0.00 0.05 5.26 3.57 -1.18 -1.85 116.94 123.69 1kee h PHE 370 Ca 0.14 0.00 -0.26 0.00 3.53 0.00 0.00 57.97 61.38 1kee h PHE 370 Cb 0.69 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.44 1kee h PHE 370 CO 0.05 0.14 -1.08 0.82 -2.23 0.00 0.00 178.31 176.01 1kee h ILE 371 N 0.00 1.38 0.15 1.41 1.08 -0.84 -2.78 117.51 117.92 1kee h ILE 371 Ca -0.00 -2.54 0.01 0.00 -0.39 0.00 0.00 64.86 61.94 1kee h ILE 371 Cb 0.33 2.57 -0.04 0.00 -3.07 0.00 0.00 36.82 36.61 1kee h ILE 371 CO 0.02 0.76 -0.52 -0.33 -0.69 0.00 0.00 178.15 177.39 1kee h GLU 372 N 0.23 -0.74 -0.81 2.37 5.08 -0.78 0.35 114.58 120.29 1kee h GLU 372 Ca -0.12 0.05 0.19 0.00 -1.00 0.00 0.00 59.36 58.48 1kee h GLU 372 Cb 1.74 0.17 -0.14 0.00 0.50 0.00 0.00 28.75 31.02 1kee h GLU 372 CO 0.19 -0.49 0.04 -0.07 -1.00 0.00 0.00 179.01 177.68 1kee h LEU 373 N -0.77 -0.33 -0.07 1.33 3.38 -1.42 0.22 115.31 117.66 1kee h LEU 373 Ca -0.01 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1kee h LEU 373 Cb 0.76 0.36 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1kee h LEU 373 CO -0.26 -0.20 0.02 0.40 0.09 0.00 0.00 178.44 178.49 1kee h ILE 374 N 0.11 1.18 -0.06 1.22 2.04 -1.03 0.09 117.51 121.06 1kee h ILE 374 Ca 0.46 -0.56 0.02 0.00 1.00 0.00 0.00 64.86 65.77 1kee h ILE 374 Cb 0.84 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 1kee h ILE 374 CO -0.70 0.16 -0.06 -0.33 0.00 0.00 0.00 178.15 177.22 1kee h GLU 375 N -0.09 -0.07 -0.38 2.37 5.08 0.19 -1.21 114.58 120.46 1kee h GLU 375 Ca 0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1kee h GLU 375 Cb 0.23 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1kee h GLU 375 CO -0.00 -0.05 0.13 0.37 -1.00 0.00 0.00 179.01 178.47 1kee h GLN 376 N -0.08 0.53 -0.19 2.33 4.15 -0.61 -1.28 115.11 119.97 1kee h GLN 376 Ca 0.04 -0.07 -0.09 0.00 0.77 0.00 0.00 58.65 59.31 1kee h GLN 376 Cb 0.14 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 1kee h GLN 376 CO -0.10 0.46 -0.26 -0.92 -1.93 0.00 0.00 178.83 176.07 1kee h TYR 377 N 0.53 0.40 0.00 3.99 5.03 -0.30 -1.70 116.97 124.92 1kee h TYR 377 Ca 0.13 -0.08 -0.05 0.00 2.58 0.00 0.00 58.73 61.31 1kee h TYR 377 Cb 0.14 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.31 1kee h TYR 377 CO 0.01 0.60 -0.22 0.00 -1.32 0.00 0.00 178.16 177.22 1kee h ARG 378 N 0.32 0.00 0.39 1.82 3.08 -0.42 -3.07 114.38 116.50 1kee h ARG 378 Ca 0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 1kee h ARG 378 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1kee h ARG 378 CO 0.05 0.22 -0.19 -0.22 -1.07 0.00 0.00 179.97 178.76 1kee h LYS 379 N 0.00 -0.51 0.00 0.04 3.64 -0.33 -3.51 116.57 115.90 1kee h LYS 379 Ca -0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1kee h LYS 379 Cb 1.06 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1kee h LYS 379 CO 0.03 -0.29 0.00 2.41 -2.27 0.00 0.00 179.45 179.33