#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3aek s PHE 8 N 0.00 1.26 0.00 1.09 0.08 -1.26 -2.19 117.98 116.95 3aek s PHE 8 Ca 0.00 -0.25 0.00 0.00 0.12 0.00 0.00 56.93 56.80 3aek s PHE 8 Cb 0.00 -0.80 0.00 0.00 -0.57 0.00 0.00 43.02 41.65 3aek s PHE 8 CO 0.00 -0.01 0.00 0.41 -0.10 0.00 0.00 175.22 175.52 3aek n GLY 9 N 2.62 2.61 0.52 4.36 0.00 0.70 -4.73 105.19 111.29 3aek n GLY 9 Ca -0.15 -0.87 0.07 0.00 0.00 0.00 0.00 46.02 45.07 3aek n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aek h THR 11 N 1.17 0.23 -0.41 0.00 2.02 -1.91 -1.75 112.91 112.27 3aek h THR 11 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.17 3aek h THR 11 Cb 1.07 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3aek h THR 11 CO 0.09 0.01 0.00 0.47 0.37 0.00 0.00 175.52 176.46 3aek n ASP 12 N -5.45 4.03 -4.70 4.18 8.00 -1.26 -4.99 116.55 116.36 3aek n ASP 12 Ca 0.14 -2.60 -0.42 0.00 0.71 0.00 0.00 54.79 52.61 3aek n ASP 12 Cb 0.48 -0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 3aek n ASP 12 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3aek s SER 13 N -1.34 6.79 -0.17 -2.24 0.01 -0.66 -4.95 113.70 111.15 3aek s SER 13 Ca 0.41 2.28 -0.29 0.00 1.31 0.00 0.00 55.95 59.66 3aek s SER 13 Cb 0.29 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 3aek s SER 13 CO 0.15 -0.72 1.67 -2.16 0.41 0.00 0.00 173.24 172.59 3aek s PRO 14 N 1.82 3.87 -0.11 12.44 0.04 -1.26 -4.98 135.00 146.82 3aek s PRO 14 Ca 0.66 1.85 -0.24 0.00 0.04 0.00 0.00 61.00 63.31 3aek s PRO 14 Cb -0.35 -4.04 -0.03 0.00 0.04 0.00 0.00 34.50 30.11 3aek s PRO 14 CO 0.29 -1.21 0.72 0.54 0.04 0.00 0.00 177.00 177.39 3aek s VAL 15 N 5.04 5.00 -0.25 -0.36 0.11 -1.26 -4.59 120.40 124.09 3aek s VAL 15 Ca 0.74 1.46 -0.29 0.00 -2.93 0.00 0.00 61.98 60.96 3aek s VAL 15 Cb -0.28 -4.05 -0.03 0.00 -1.53 0.00 0.00 36.38 30.49 3aek s VAL 15 CO 0.30 0.18 1.74 -0.60 -3.33 0.00 0.00 175.10 173.39 3aek s ARG 16 N 1.26 3.60 -0.20 1.54 3.52 0.34 -4.82 118.95 124.19 3aek s ARG 16 Ca 0.37 1.65 -0.14 0.00 -0.13 0.00 0.00 55.73 57.48 3aek s ARG 16 Cb -0.17 -4.12 -0.04 0.00 -1.56 0.00 0.00 34.95 29.05 3aek s ARG 16 CO 0.16 -1.53 0.29 1.03 -0.81 0.00 0.00 175.30 174.44 3aek s ARG 17 N 5.13 4.18 -0.02 5.12 0.52 -1.26 0.29 118.95 132.91 3aek s ARG 17 Ca 0.77 0.03 0.00 0.00 -0.52 0.00 0.00 55.73 56.02 3aek s ARG 17 Cb -0.25 -3.50 0.02 0.00 0.52 0.00 0.00 34.95 31.74 3aek s ARG 17 CO 0.32 0.09 -0.00 -2.00 0.02 0.00 0.00 175.30 173.73 3aek s GLU 18 N 0.94 0.23 0.28 3.54 2.12 0.42 -4.96 118.70 121.28 3aek s GLU 18 Ca 0.15 0.05 0.08 0.00 0.36 0.00 0.00 54.97 55.60 3aek s GLU 18 Cb -0.14 -0.38 -0.06 0.00 0.26 0.00 0.00 34.13 33.82 3aek s GLU 18 CO 0.05 -0.09 -0.09 -0.98 -0.54 0.00 0.00 175.26 173.61 3aek s ARG 19 N 0.74 1.58 0.00 4.30 1.70 -1.25 -0.70 118.95 125.32 3aek s ARG 19 Ca -0.07 -1.79 0.00 0.00 -0.47 0.00 0.00 55.73 53.40 3aek s ARG 19 Cb -0.10 -1.32 0.00 0.00 -0.57 0.00 0.00 34.95 32.96 3aek s ARG 19 CO -0.01 0.11 0.00 0.41 -1.08 0.00 0.00 175.30 174.72 3aek n GLY 20 N -0.60 0.43 3.71 3.88 0.00 -1.11 -4.32 105.19 107.17 3aek n GLY 20 Ca -0.06 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 3aek n GLY 20 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3aek s GLN 21 N -2.00 4.21 0.13 1.61 0.74 -1.26 -4.84 119.66 118.25 3aek s GLN 21 Ca 0.00 2.35 0.11 0.00 0.05 0.00 0.00 55.36 57.87 3aek s GLN 21 Cb 0.00 -3.23 -0.04 0.00 1.10 0.00 0.00 33.01 30.84 3aek s GLN 21 CO 0.00 -0.62 -0.27 0.15 -0.55 0.00 0.00 175.29 174.00 3aek s LYS 22 N 1.37 1.42 -0.61 1.67 1.02 -1.26 0.02 119.74 123.37 3aek s LYS 22 Ca 0.71 -1.34 0.05 0.00 0.02 0.00 0.00 55.97 55.40 3aek s LYS 22 Cb -0.43 -1.91 0.17 0.00 -0.52 0.00 0.00 37.83 35.14 3aek s LYS 22 CO 0.31 0.45 0.45 0.00 -0.92 0.00 0.00 175.35 175.65 3aek n ALA 23 N 0.92 3.26 -2.22 5.17 0.00 -1.26 -5.01 120.51 121.36 3aek n ALA 23 Ca -0.18 -4.09 -0.13 0.00 0.00 0.00 0.00 53.44 49.05 3aek n ALA 23 Cb 0.53 -0.94 -0.10 0.00 0.00 0.00 0.00 19.45 18.94 3aek n ALA 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3aek s VAL 24 N -1.02 0.56 0.38 0.00 -7.23 -1.26 -4.87 120.40 106.95 3aek s VAL 24 Ca 0.28 -1.96 -0.13 0.00 -1.81 0.00 0.00 61.98 58.35 3aek s VAL 24 Cb -0.01 -2.10 -0.08 0.00 0.56 0.00 0.00 36.38 34.75 3aek s VAL 24 CO -0.18 -0.47 0.78 -0.36 -0.31 0.00 0.00 175.10 174.56 3aek s PHE 25 N -3.74 3.42 0.85 2.82 0.08 -1.26 -4.99 117.98 115.16 3aek s PHE 25 Ca 0.24 1.17 -0.12 0.00 0.12 0.00 0.00 56.93 58.34 3aek s PHE 25 Cb 0.06 -2.52 0.10 0.00 -0.57 0.00 0.00 43.02 40.09 3aek s PHE 25 CO 0.03 -0.04 1.16 0.00 -0.10 0.00 0.00 175.22 176.28 3aek n GLY 27 N -2.88 -1.37 0.40 0.00 0.00 -0.53 -2.73 105.19 98.07 3aek n GLY 27 Ca 0.07 0.01 0.18 0.00 0.00 0.00 0.00 46.02 46.29 3aek n GLY 27 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3aek h LEU 28 N 0.00 0.46 -2.57 0.99 4.07 -1.32 -1.77 115.31 115.18 3aek h LEU 28 Ca 0.00 0.05 0.01 0.00 0.08 0.00 0.00 57.88 58.02 3aek h LEU 28 Cb 0.46 -0.03 -0.00 0.00 1.08 0.00 0.00 40.66 42.16 3aek h LEU 28 CO 0.00 0.18 0.04 0.71 -1.08 0.00 0.00 178.44 178.29 3aek h THR 29 N 0.46 0.35 -0.27 0.22 1.35 -1.82 -2.08 112.91 111.12 3aek h THR 29 Ca 0.49 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 66.38 3aek h THR 29 Cb 1.15 0.96 -0.01 0.00 -1.73 0.00 0.00 68.15 68.52 3aek h THR 29 CO -0.21 0.00 0.18 0.77 -0.25 0.00 0.00 175.52 176.01 3aek h SER 30 N 0.00 0.20 -0.84 5.36 4.64 -1.51 -1.74 113.55 119.65 3aek h SER 30 Ca 0.01 -0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.53 3aek h SER 30 Cb 0.10 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 62.09 3aek h SER 30 CO -0.00 0.14 0.57 0.40 -0.87 0.00 0.00 176.83 177.07 3aek h ILE 31 N 0.23 0.67 -0.94 0.95 2.04 -1.57 -0.48 117.51 118.41 3aek h ILE 31 Ca 0.11 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 65.92 3aek h ILE 31 Cb 0.17 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 36.55 3aek h ILE 31 CO -0.02 0.05 0.61 0.58 0.00 0.00 0.00 178.15 179.37 3aek h VAL 32 N 0.29 1.14 0.00 1.67 2.07 -1.51 -1.43 116.25 118.48 3aek h VAL 32 Ca 0.43 -0.40 -0.34 0.00 0.82 0.00 0.00 66.70 67.20 3aek h VAL 32 Cb 1.22 -0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 3aek h VAL 32 CO -0.12 0.21 -2.14 -2.67 0.02 0.00 0.00 177.57 172.87 3aek n TRP 33 N -4.50 0.38 -0.24 1.57 2.14 -0.90 -4.42 117.44 111.47 3aek n TRP 33 Ca 0.13 0.13 -0.05 0.00 2.07 0.00 0.00 57.50 59.78 3aek n TRP 33 Cb 0.11 -1.07 0.05 0.00 -0.81 0.00 0.00 31.31 29.59 3aek n TRP 33 CO 0.00 0.00 0.00 -0.07 2.07 0.00 0.00 177.69 179.69 3aek h LEU 34 N 0.00 0.77 -1.68 5.67 4.07 -0.97 -2.90 115.31 120.28 3aek h LEU 34 Ca -0.45 -0.02 -0.04 0.00 0.08 0.00 0.00 57.88 57.45 3aek h LEU 34 Cb 2.15 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 43.70 3aek h LEU 34 CO 0.05 0.56 -0.19 1.12 -1.08 0.00 0.00 178.44 178.90 3aek h HIS 35 N 0.91 0.00 -0.22 1.13 2.07 -1.47 -0.39 115.15 117.18 3aek h HIS 35 Ca 0.25 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.63 3aek h HIS 35 Cb -0.11 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.87 3aek h HIS 35 CO -0.03 0.19 -0.40 0.00 -3.07 0.00 0.00 177.93 174.62 3aek h ARG 36 N 0.00 0.65 -0.15 5.12 2.47 -1.72 -3.31 114.38 117.43 3aek h ARG 36 Ca -0.00 -0.41 -0.21 0.00 -1.26 0.00 0.00 59.98 58.09 3aek h ARG 36 Cb 0.43 0.05 0.01 0.00 -1.65 0.00 0.00 29.97 28.80 3aek h ARG 36 CO 0.02 1.03 -0.75 -0.22 0.56 0.00 0.00 179.97 180.61 3aek h LYS 37 N 0.35 0.74 -3.82 0.04 1.63 -1.31 -3.42 116.57 110.78 3aek h LYS 37 Ca 0.01 -0.59 -0.78 0.00 -0.85 0.00 0.00 60.65 58.43 3aek h LYS 37 Cb 0.99 0.12 -0.26 0.00 -0.60 0.00 0.00 32.23 32.48 3aek h LYS 37 CO 0.09 1.21 0.07 -1.64 -3.45 0.00 0.00 179.45 175.72 3aek s MET 38 N -3.76 3.54 0.31 1.90 -1.94 -0.19 -4.44 119.30 114.71 3aek s MET 38 Ca -0.10 -2.45 0.02 0.00 -1.71 0.00 0.00 55.69 51.45 3aek s MET 38 Cb 0.09 -4.39 0.50 0.00 2.01 0.00 0.00 34.83 33.04 3aek s MET 38 CO 0.89 -1.29 1.85 1.96 -0.01 0.00 0.00 175.02 178.43 3aek h GLN 39 N 7.76 0.68 -0.01 2.03 4.20 -1.65 -2.68 115.11 125.44 3aek h GLN 39 Ca 0.09 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3aek h GLN 39 Cb 1.04 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.72 3aek h GLN 39 CO 0.76 0.65 -0.02 -0.25 -0.67 0.00 0.00 178.83 179.29 3aek n ASP 40 N -4.28 1.04 -4.91 1.46 10.43 -1.26 -4.96 116.55 114.07 3aek n ASP 40 Ca 0.03 -1.28 -0.32 0.00 2.57 0.00 0.00 54.79 55.79 3aek n ASP 40 Cb 0.23 0.00 -0.04 0.00 1.84 0.00 0.00 41.12 43.15 3aek n ASP 40 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3aek s ALA 41 N -2.06 3.98 -0.03 2.24 0.00 -1.01 -1.46 121.76 123.42 3aek s ALA 41 Ca 0.39 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.61 3aek s ALA 41 Cb 0.21 -1.87 -0.01 0.00 0.00 0.00 0.00 23.12 21.45 3aek s ALA 41 CO 0.36 0.79 -0.18 0.12 0.00 0.00 0.00 175.76 176.85 3aek s PHE 42 N -1.45 1.68 -0.31 0.00 2.19 0.11 -4.80 117.98 115.40 3aek s PHE 42 Ca 0.33 -0.40 -0.04 0.00 0.33 0.00 0.00 56.93 57.15 3aek s PHE 42 Cb -0.13 -1.11 0.04 0.00 -1.31 0.00 0.00 43.02 40.51 3aek s PHE 42 CO 0.25 -0.09 0.05 -0.06 1.83 0.00 0.00 175.22 177.19 3aek s PHE 43 N -0.22 3.23 -0.38 10.12 0.40 -0.74 -0.59 117.98 129.81 3aek s PHE 43 Ca 0.02 -1.56 -0.07 0.00 -0.60 0.00 0.00 56.93 54.72 3aek s PHE 43 Cb -0.09 -2.20 0.06 0.00 0.51 0.00 0.00 43.02 41.31 3aek s PHE 43 CO 0.01 -0.74 0.17 -1.17 0.70 0.00 0.00 175.22 174.19 3aek s LEU 44 N 1.35 4.73 0.23 -0.37 2.96 0.53 -1.40 118.68 126.71 3aek s LEU 44 Ca -0.03 -1.38 -0.30 0.00 -0.22 0.00 0.00 54.13 52.21 3aek s LEU 44 Cb -0.19 -1.91 -0.09 0.00 0.50 0.00 0.00 46.19 44.51 3aek s LEU 44 CO 0.01 -0.43 1.10 -0.69 -1.32 0.00 0.00 176.35 175.02 3aek s VAL 45 N 1.38 3.65 -0.40 1.68 1.01 0.28 -0.64 120.40 127.36 3aek s VAL 45 Ca 0.01 1.54 -0.09 0.00 0.00 0.00 0.00 61.98 63.44 3aek s VAL 45 Cb -0.21 -3.98 0.06 0.00 0.00 0.00 0.00 36.38 32.25 3aek s VAL 45 CO 0.02 0.32 0.23 -0.69 0.00 0.00 0.00 175.10 174.98 3aek s VAL 46 N -0.70 4.29 0.00 2.92 1.01 -0.46 -0.41 120.40 127.04 3aek s VAL 46 Ca 0.47 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 61.23 3aek s VAL 46 Cb -0.31 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.53 3aek s VAL 46 CO 0.38 -0.40 0.00 0.61 0.00 0.00 0.00 175.10 175.69 3aek n GLY 47 N 4.93 2.72 2.35 4.51 0.00 -1.10 -3.76 105.19 114.84 3aek n GLY 47 Ca -0.11 -0.57 -0.16 0.00 0.00 0.00 0.00 46.02 45.18 3aek n GLY 47 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3aek n SER 48 N 0.00 2.00 0.26 1.61 3.41 -1.26 -0.02 113.62 119.62 3aek n SER 48 Ca 0.00 -2.14 0.09 0.00 -0.26 0.00 0.00 58.87 56.56 3aek n SER 48 Cb 0.00 -0.05 0.68 0.00 -0.26 0.00 0.00 64.21 64.58 3aek n SER 48 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3aek h ARG 49 N 0.00 0.00 -0.17 4.33 2.43 -1.95 -2.35 114.38 116.67 3aek h ARG 49 Ca -0.21 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 58.99 3aek h ARG 49 Cb 0.78 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 3aek h ARG 49 CO 0.33 0.01 -0.03 1.15 -1.51 0.00 0.00 179.97 179.91 3aek h THR 50 N 0.00 0.84 -0.72 0.20 2.02 -1.98 0.87 112.91 114.14 3aek h THR 50 Ca -0.00 -0.01 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 3aek h THR 50 Cb 0.01 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 3aek h THR 50 CO 0.00 0.00 0.25 0.00 0.37 0.00 0.00 175.52 176.15 3aek h ALA 52 N 1.12 0.69 -0.59 0.00 0.00 -1.34 -1.78 119.26 117.36 3aek h ALA 52 Ca 0.24 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3aek h ALA 52 Cb 0.26 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3aek h ALA 52 CO -0.01 0.35 0.26 1.25 0.00 0.00 0.00 179.25 181.10 3aek h HIS 53 N 0.72 0.88 -0.00 0.00 6.17 -0.57 -1.63 115.15 120.72 3aek h HIS 53 Ca 0.17 -0.06 0.01 0.00 0.71 0.00 0.00 60.37 61.20 3aek h HIS 53 Cb 0.28 -0.27 -0.01 0.00 2.52 0.00 0.00 27.41 29.93 3aek h HIS 53 CO 0.02 0.69 -0.06 1.25 0.71 0.00 0.00 177.93 180.54 3aek h LEU 54 N 0.81 -0.17 -1.11 0.26 5.85 -0.89 -2.07 115.31 117.98 3aek h LEU 54 Ca 0.20 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 3aek h LEU 54 Cb 0.17 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 3aek h LEU 54 CO -0.02 -0.09 0.31 -0.07 -0.34 0.00 0.00 178.44 178.23 3aek h LEU 55 N -0.11 0.85 -0.31 2.25 3.38 -1.07 0.53 115.31 120.83 3aek h LEU 55 Ca 0.03 -0.09 -0.20 0.00 0.09 0.00 0.00 57.88 57.71 3aek h LEU 55 Cb 0.14 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3aek h LEU 55 CO -0.06 0.72 -0.85 0.06 0.09 0.00 0.00 178.44 178.40 3aek h GLN 56 N 0.93 0.25 -0.15 1.13 3.07 -1.23 0.10 115.11 119.20 3aek h GLN 56 Ca 0.23 -0.25 -0.18 0.00 0.09 0.00 0.00 58.65 58.54 3aek h GLN 56 Cb 0.10 0.07 0.01 0.00 0.08 0.00 0.00 27.48 27.74 3aek h GLN 56 CO -0.03 0.96 -0.59 0.00 0.09 0.00 0.00 178.83 179.26 3aek h ALA 57 N 0.96 0.28 -0.31 0.06 0.00 -1.09 -2.61 119.26 116.55 3aek h ALA 57 Ca -0.04 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 3aek h ALA 57 Cb 1.46 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 3aek h ALA 57 CO 0.13 0.52 0.17 0.00 0.00 0.00 0.00 179.25 180.07 3aek h ALA 58 N 0.54 0.39 -0.25 0.00 0.00 -0.91 -3.22 119.26 115.82 3aek h ALA 58 Ca -0.03 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3aek h ALA 58 Cb 1.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3aek h ALA 58 CO 0.12 -0.08 -0.20 0.00 0.00 0.00 0.00 179.25 179.10 3aek h ALA 59 N 1.04 1.20 -0.88 0.00 0.00 -0.79 -3.48 119.26 116.34 3aek h ALA 59 Ca 0.11 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3aek h ALA 59 Cb 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3aek h ALA 59 CO -0.02 0.52 0.00 0.41 0.00 0.00 0.00 179.25 180.16 3aek n GLY 60 N -0.51 3.87 0.32 0.00 0.00 -0.99 -1.70 105.19 106.18 3aek n GLY 60 Ca -0.00 0.01 0.21 0.00 0.00 0.00 0.00 46.02 46.23 3aek n GLY 60 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3aek h VAL 61 N 0.00 0.01 -0.47 1.61 -1.51 -1.91 -2.85 116.25 111.12 3aek h VAL 61 Ca 0.00 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 3aek h VAL 61 Cb 0.00 1.19 -0.02 0.00 -2.13 0.00 0.00 31.29 30.32 3aek h VAL 61 CO 0.00 0.00 0.31 0.24 -1.23 0.00 0.00 177.57 176.89 3aek h MET 62 N 0.00 0.62 0.00 5.19 2.07 -1.72 -2.82 114.93 118.28 3aek h MET 62 Ca -0.00 -0.04 -0.00 0.00 -2.07 0.00 0.00 59.70 57.59 3aek h MET 62 Cb 0.19 -0.14 -0.00 0.00 -1.87 0.00 0.00 31.60 29.78 3aek h MET 62 CO 0.00 0.42 -0.02 0.97 1.07 0.00 0.00 176.91 179.35 3aek h ILE 63 N 0.64 0.18 -0.01 -1.22 6.09 -1.68 -1.27 117.51 120.25 3aek h ILE 63 Ca 0.17 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 63.52 3aek h ILE 63 Cb -0.06 1.12 0.00 0.00 0.47 0.00 0.00 36.82 38.34 3aek h ILE 63 CO -0.04 0.02 -0.70 0.49 -3.07 0.00 0.00 178.15 174.86 3aek n PHE 64 N -3.31 0.00 -0.25 2.19 3.72 -1.07 -4.32 117.46 114.42 3aek n PHE 64 Ca -0.02 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.28 3aek n PHE 64 Cb 0.13 -0.02 0.13 0.00 -0.94 0.00 0.00 39.48 38.78 3aek n PHE 64 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3aek n ALA 65 N -0.80 4.09 -3.60 4.37 0.00 -0.48 -4.91 120.51 119.18 3aek n ALA 65 Ca 0.07 -1.56 -0.25 0.00 0.00 0.00 0.00 53.44 51.70 3aek n ALA 65 Cb 0.39 -1.22 0.04 0.00 0.00 0.00 0.00 19.45 18.67 3aek n ALA 65 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3aek n GLU 66 N -0.28 -2.33 -1.73 0.00 2.13 -1.26 -4.93 120.64 112.24 3aek n GLU 66 Ca 0.31 0.58 -0.31 0.00 0.66 0.00 0.00 57.16 58.40 3aek n GLU 66 Cb 1.10 -4.74 0.03 0.00 0.27 0.00 0.00 31.44 28.10 3aek n GLU 66 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 3aek s PRO 67 N -5.66 3.24 -0.88 5.31 0.04 -1.26 -4.94 135.00 130.85 3aek s PRO 67 Ca 0.35 0.83 -0.04 0.00 0.04 0.00 0.00 61.00 62.18 3aek s PRO 67 Cb -0.10 -2.03 0.10 0.00 0.04 0.00 0.00 34.50 32.50 3aek s PRO 67 CO 0.83 -0.85 2.56 0.54 0.04 0.00 0.00 177.00 180.12 3aek n ARG 68 N -2.95 3.53 -3.79 4.56 1.74 -1.26 -4.87 116.66 113.62 3aek n ARG 68 Ca 0.07 -2.95 -0.09 0.00 -0.77 0.00 0.00 57.85 54.11 3aek n ARG 68 Cb 0.54 -2.38 -0.04 0.00 -1.02 0.00 0.00 32.46 29.56 3aek n ARG 68 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 3aek s PHE 69 N -1.55 -0.03 -0.03 -1.55 -0.71 -1.26 -1.79 117.98 111.06 3aek s PHE 69 Ca 0.56 -0.33 -0.30 0.00 -1.04 0.00 0.00 56.93 55.82 3aek s PHE 69 Cb 0.29 0.35 0.12 0.00 -1.21 0.00 0.00 43.02 42.57 3aek s PHE 69 CO -0.16 -0.93 1.31 0.20 -1.34 0.00 0.00 175.22 174.30 3aek s GLY 70 N -2.90 -0.34 -0.13 1.99 0.00 -0.49 -4.94 107.32 100.51 3aek s GLY 70 Ca 0.11 0.53 0.01 0.00 0.00 0.00 0.00 44.72 45.37 3aek s GLY 70 CO -0.01 1.83 -0.14 -1.59 0.00 0.00 0.00 173.10 173.19 3aek s THR 71 N -2.24 1.48 -0.80 0.90 2.01 -1.26 -0.56 115.64 115.17 3aek s THR 71 Ca 0.19 -0.60 -0.26 0.00 0.31 0.00 0.00 61.69 61.34 3aek s THR 71 Cb 0.04 -1.38 0.02 0.00 0.01 0.00 0.00 72.50 71.19 3aek s THR 71 CO -0.03 0.44 1.45 0.00 -0.69 0.00 0.00 174.62 175.78 3aek s ALA 72 N 1.31 2.59 -0.13 7.40 0.00 0.45 -4.95 121.76 128.43 3aek s ALA 72 Ca 0.00 -1.49 -0.28 0.00 0.00 0.00 0.00 51.96 50.19 3aek s ALA 72 Cb -0.14 -4.35 -0.01 0.00 0.00 0.00 0.00 23.12 18.62 3aek s ALA 72 CO -0.07 -3.55 0.97 0.14 0.00 0.00 0.00 175.76 173.25 3aek s VAL 73 N 6.31 4.80 0.18 0.00 -7.23 -1.26 -2.72 120.40 120.49 3aek s VAL 73 Ca 0.44 1.95 -0.33 0.00 -1.81 0.00 0.00 61.98 62.23 3aek s VAL 73 Cb -0.07 -4.27 -0.14 0.00 0.56 0.00 0.00 36.38 32.47 3aek s VAL 73 CO 0.09 -0.00 1.55 0.18 -0.31 0.00 0.00 175.10 176.61 3aek n LEU 74 N 5.16 3.19 -4.91 1.32 7.99 0.97 -4.98 117.00 125.74 3aek n LEU 74 Ca 0.08 1.10 -0.20 0.00 -0.01 0.00 0.00 56.01 56.98 3aek n LEU 74 Cb 0.48 -1.44 -0.02 0.00 -0.11 0.00 0.00 43.42 42.33 3aek n LEU 74 CO 0.51 -0.29 -0.00 -1.61 -1.51 0.00 0.00 177.39 174.49 3aek s GLU 75 N 0.60 2.80 0.27 3.23 2.02 -1.26 -4.88 118.70 121.47 3aek s GLU 75 Ca 0.76 -1.27 0.01 0.00 0.02 0.00 0.00 54.97 54.49 3aek s GLU 75 Cb -0.66 -2.58 0.61 0.00 0.10 0.00 0.00 34.13 31.61 3aek s GLU 75 CO 0.40 -0.02 1.74 0.93 0.02 0.00 0.00 175.26 178.33 3aek h GLU 76 N 1.04 0.52 0.00 1.61 5.08 -2.02 -0.33 114.58 120.49 3aek h GLU 76 Ca -0.44 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 57.87 3aek h GLU 76 Cb 1.26 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 3aek h GLU 76 CO 0.55 0.35 -0.11 -0.56 -1.00 0.00 0.00 179.01 178.24 3aek h GLN 77 N 0.54 0.00 0.00 2.33 -0.00 -1.95 -1.87 115.11 114.16 3aek h GLN 77 Ca 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.15 3aek h GLN 77 Cb 0.81 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.29 3aek h GLN 77 CO -0.42 0.11 0.00 -0.25 -0.00 0.00 0.00 178.83 178.27 3aek n ASP 78 N -3.74 0.00 -0.11 0.06 10.43 -0.14 -3.79 116.55 119.26 3aek n ASP 78 Ca -0.02 0.47 0.14 0.00 2.57 0.00 0.00 54.79 57.95 3aek n ASP 78 Cb 0.22 -0.49 0.59 0.00 1.84 0.00 0.00 41.12 43.28 3aek n ASP 78 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3aek n LEU 79 N -1.49 0.47 -3.74 0.64 4.77 -0.70 -4.78 117.00 112.17 3aek n LEU 79 Ca 0.06 0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 3aek n LEU 79 Cb 0.29 -0.20 -0.13 0.00 -2.33 0.00 0.00 43.42 41.05 3aek n LEU 79 CO 0.23 0.09 -0.15 0.00 -1.33 0.00 0.00 177.39 176.23 3aek s ALA 80 N -2.51 -0.48 0.00 -1.18 0.00 -1.25 -5.03 121.76 111.31 3aek s ALA 80 Ca 0.28 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.09 3aek s ALA 80 Cb 0.20 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.78 3aek s ALA 80 CO 0.49 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.48 3aek n GLY 81 N 4.02 -0.82 0.20 0.00 0.00 -1.26 -4.85 105.19 102.49 3aek n GLY 81 Ca -0.24 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 3aek n GLY 81 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3aek h LEU 82 N 0.00 0.61 -1.29 0.99 4.07 -1.93 -2.34 115.31 115.42 3aek h LEU 82 Ca 0.00 -0.26 0.00 0.00 0.08 0.00 0.00 57.88 57.70 3aek h LEU 82 Cb 0.00 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.54 3aek h LEU 82 CO 0.00 0.72 0.43 0.00 -1.08 0.00 0.00 178.44 178.50 3aek h ALA 83 N 0.92 1.48 -0.09 1.53 0.00 -2.00 -1.78 119.26 119.31 3aek h ALA 83 Ca 0.12 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 3aek h ALA 83 Cb 0.36 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3aek h ALA 83 CO 0.01 0.47 -0.70 -0.44 0.00 0.00 0.00 179.25 178.59 3aek h ASP 84 N 0.92 0.50 -0.62 0.00 3.32 -1.89 -2.79 116.42 115.87 3aek h ASP 84 Ca 0.25 -0.32 -0.09 0.00 0.02 0.00 0.00 57.03 56.88 3aek h ASP 84 Cb -0.07 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 3aek h ASP 84 CO -0.05 1.05 0.02 0.00 -1.72 0.00 0.00 179.24 178.54 3aek h ALA 85 N 0.95 0.85 -0.75 3.45 0.00 -0.94 -1.39 119.26 121.43 3aek h ALA 85 Ca -0.02 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 3aek h ALA 85 Cb 1.26 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 3aek h ALA 85 CO 0.12 0.67 0.31 0.45 0.00 0.00 0.00 179.25 180.80 3aek h HIS 86 N 0.99 1.12 -0.45 0.00 3.86 -1.34 -1.14 115.15 118.20 3aek h HIS 86 Ca 0.18 -0.07 -0.09 0.00 -1.16 0.00 0.00 60.37 59.23 3aek h HIS 86 Cb 0.54 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 3aek h HIS 86 CO 0.04 0.84 -0.07 0.87 0.86 0.00 0.00 177.93 180.47 3aek h LYS 87 N 1.08 0.78 -0.38 2.45 1.57 -1.23 -2.38 116.57 118.46 3aek h LYS 87 Ca 0.25 -0.24 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 3aek h LYS 87 Cb 0.19 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3aek h LYS 87 CO -0.02 0.83 -0.16 1.49 -0.57 0.00 0.00 179.45 181.02 3aek h GLU 88 N 0.71 0.78 -0.18 3.15 4.57 -0.93 -2.19 114.58 120.50 3aek h GLU 88 Ca 0.13 -0.33 0.02 0.00 -1.18 0.00 0.00 59.36 58.00 3aek h GLU 88 Cb 0.54 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.08 3aek h GLU 88 CO 0.03 0.95 0.04 1.25 -1.18 0.00 0.00 179.01 180.10 3aek h LEU 89 N 0.58 0.02 -0.79 1.64 6.46 -1.16 -0.51 115.31 121.55 3aek h LEU 89 Ca 0.09 0.03 0.05 0.00 -0.12 0.00 0.00 57.88 57.92 3aek h LEU 89 Cb 0.71 0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 40.61 3aek h LEU 89 CO 0.05 0.04 0.48 0.44 -0.62 0.00 0.00 178.44 178.83 3aek h ASP 90 N 0.11 0.77 -0.71 1.25 5.19 -1.38 0.17 116.42 121.82 3aek h ASP 90 Ca 0.08 0.01 -0.03 0.00 -0.62 0.00 0.00 57.03 56.47 3aek h ASP 90 Cb 0.07 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 39.40 3aek h ASP 90 CO -0.10 0.50 0.32 0.03 -3.12 0.00 0.00 179.24 176.87 3aek h ARG 91 N 0.90 1.03 -0.38 3.56 3.08 -1.06 0.13 114.38 121.64 3aek h ARG 91 Ca 0.34 -0.16 -0.15 0.00 0.07 0.00 0.00 59.98 60.08 3aek h ARG 91 Cb 0.12 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 3aek h ARG 91 CO -0.15 0.82 -0.34 0.93 -1.07 0.00 0.00 179.97 180.15 3aek h GLU 92 N 0.99 0.88 -0.25 0.04 4.39 -0.36 -2.04 114.58 118.23 3aek h GLU 92 Ca 0.24 -0.43 -0.08 0.00 0.34 0.00 0.00 59.36 59.43 3aek h GLU 92 Cb 0.14 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 3aek h GLU 92 CO -0.03 1.08 -0.14 0.28 -1.16 0.00 0.00 179.01 179.05 3aek h VAL 93 N 0.73 1.30 -0.73 3.13 2.07 -0.58 -2.13 116.25 120.05 3aek h VAL 93 Ca 0.07 -1.23 0.06 0.00 0.82 0.00 0.00 66.70 66.42 3aek h VAL 93 Cb 0.91 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 3aek h VAL 93 CO 0.08 0.39 0.48 0.00 0.02 0.00 0.00 177.57 178.54 3aek h ALA 94 N 0.72 1.68 -0.12 1.67 0.00 -0.70 0.20 119.26 122.72 3aek h ALA 94 Ca 0.05 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 3aek h ALA 94 Cb 0.65 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.25 3aek h ALA 94 CO 0.04 0.21 -0.78 -0.22 0.00 0.00 0.00 179.25 178.50 3aek h LYS 95 N 0.78 0.65 -0.08 0.00 3.64 -1.31 -0.98 116.57 119.27 3aek h LYS 95 Ca 0.31 -0.54 -0.03 0.00 -1.27 0.00 0.00 60.65 59.12 3aek h LYS 95 Cb 0.23 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3aek h LYS 95 CO -0.10 1.16 -0.07 1.25 -2.27 0.00 0.00 179.45 179.42 3aek h LEU 96 N 0.44 0.19 -0.45 5.20 7.12 -0.94 -3.07 115.31 123.79 3aek h LEU 96 Ca -0.05 -0.47 -0.06 0.00 0.13 0.00 0.00 57.88 57.43 3aek h LEU 96 Cb 1.40 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 41.46 3aek h LEU 96 CO 0.15 0.62 0.04 -0.07 -0.13 0.00 0.00 178.44 179.05 3aek h LEU 97 N -0.23 0.74 -1.15 2.25 4.07 -1.01 -1.52 115.31 118.46 3aek h LEU 97 Ca 0.01 -0.28 0.14 0.00 0.08 0.00 0.00 57.88 57.84 3aek h LEU 97 Cb 0.56 -0.20 -0.08 0.00 1.08 0.00 0.00 40.66 42.02 3aek h LEU 97 CO 0.02 0.84 0.60 -0.08 -1.08 0.00 0.00 178.44 178.74 3aek h GLU 98 N 0.63 0.79 0.00 1.13 4.22 -1.27 -1.00 114.58 119.07 3aek h GLU 98 Ca 0.13 -0.05 -0.11 0.00 0.08 0.00 0.00 59.36 59.42 3aek h GLU 98 Cb 0.43 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3aek h GLU 98 CO 0.01 0.52 -0.50 0.00 -2.18 0.00 0.00 179.01 176.86 3aek h ARG 99 N 0.81 0.00 -2.88 1.92 3.08 -1.40 -3.42 114.38 112.50 3aek h ARG 99 Ca 0.48 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.92 3aek h ARG 99 Cb 0.67 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.31 3aek h ARG 99 CO -0.25 0.50 -0.66 0.54 -1.07 0.00 0.00 179.97 179.03 3aek n ARG 100 N -3.28 1.54 0.22 0.04 5.12 -0.38 -4.93 116.66 114.97 3aek n ARG 100 Ca 0.01 -4.23 0.15 0.00 -1.93 0.00 0.00 57.85 51.86 3aek n ARG 100 Cb 0.70 -2.15 0.75 0.00 -1.16 0.00 0.00 32.46 30.61 3aek n ARG 100 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3aek h PRO 101 N 5.34 0.00 0.00 5.56 0.13 -1.82 -2.94 132.00 138.27 3aek h PRO 101 Ca 0.18 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.30 3aek h PRO 101 Cb 0.78 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.91 3aek h PRO 101 CO 0.65 0.00 -0.03 0.38 -0.23 0.00 0.00 178.00 178.78 3aek h ASP 102 N 0.00 0.00 -3.00 1.44 2.03 -1.91 -3.43 116.42 111.55 3aek h ASP 102 Ca 0.00 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.74 3aek h ASP 102 Cb 0.10 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.57 3aek h ASP 102 CO 0.00 0.03 0.82 -0.63 -1.03 0.00 0.00 179.24 178.42 3aek s ILE 103 N -3.46 4.34 -0.06 4.15 1.01 -1.11 -4.85 121.20 121.21 3aek s ILE 103 Ca 0.04 1.64 0.09 0.00 0.00 0.00 0.00 60.65 62.41 3aek s ILE 103 Cb 0.07 -4.06 -0.13 0.00 0.01 0.00 0.00 42.46 38.36 3aek s ILE 103 CO 0.61 -0.10 0.09 0.54 0.00 0.00 0.00 174.94 176.08 3aek n ARG 104 N 6.09 1.76 -4.45 2.79 5.12 -0.53 -4.67 116.66 122.78 3aek n ARG 104 Ca 0.13 -0.03 -0.32 0.00 -1.93 0.00 0.00 57.85 55.69 3aek n ARG 104 Cb 0.46 -1.23 -0.16 0.00 -1.16 0.00 0.00 32.46 30.36 3aek n ARG 104 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3aek s GLN 105 N -2.38 2.86 -0.19 5.56 -0.21 -1.02 -1.06 119.66 123.23 3aek s GLN 105 Ca -0.04 -0.79 -0.01 0.00 0.02 0.00 0.00 55.36 54.54 3aek s GLN 105 Cb 0.04 -2.38 0.01 0.00 1.00 0.00 0.00 33.01 31.67 3aek s GLN 105 CO 0.38 -0.09 -0.14 -1.17 -2.12 0.00 0.00 175.29 172.16 3aek s LEU 106 N 1.01 2.46 -0.27 2.90 2.96 -0.30 0.07 118.68 127.52 3aek s LEU 106 Ca -0.03 -0.53 -0.10 0.00 -0.22 0.00 0.00 54.13 53.26 3aek s LEU 106 Cb -0.15 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 3aek s LEU 106 CO -0.06 0.01 0.15 -0.36 -1.32 0.00 0.00 176.35 174.77 3aek s PHE 107 N 1.28 3.18 -0.34 5.38 0.08 0.24 -0.22 117.98 127.57 3aek s PHE 107 Ca 0.04 -0.07 -0.23 0.00 0.12 0.00 0.00 56.93 56.79 3aek s PHE 107 Cb -0.14 -2.32 0.01 0.00 -0.57 0.00 0.00 43.02 39.99 3aek s PHE 107 CO -0.07 -0.22 0.77 -0.51 -0.10 0.00 0.00 175.22 175.09 3aek s LEU 108 N 1.67 4.13 -0.23 -0.37 1.43 -0.10 -0.35 118.68 124.86 3aek s LEU 108 Ca 0.07 0.43 -0.08 0.00 -1.03 0.00 0.00 54.13 53.52 3aek s LEU 108 Cb -0.16 -3.01 -0.03 0.00 0.03 0.00 0.00 46.19 43.02 3aek s LEU 108 CO 0.08 -0.68 0.08 -0.69 0.23 0.00 0.00 176.35 175.37 3aek s VAL 109 N 3.01 4.52 0.37 -1.59 1.01 0.18 -1.95 120.40 125.95 3aek s VAL 109 Ca 0.31 -0.11 -0.26 0.00 0.00 0.00 0.00 61.98 61.92 3aek s VAL 109 Cb -0.14 -3.10 -0.09 0.00 0.00 0.00 0.00 36.38 33.06 3aek s VAL 109 CO 0.15 0.36 1.08 -0.83 0.00 0.00 0.00 175.10 175.87 3aek s GLY 110 N 1.28 2.84 0.41 4.51 0.00 0.75 -1.36 107.32 115.76 3aek s GLY 110 Ca 0.05 0.80 0.04 0.00 0.00 0.00 0.00 44.72 45.61 3aek s GLY 110 CO 0.04 1.29 0.13 -1.35 0.00 0.00 0.00 173.10 173.21 3aek s SER 111 N -1.32 2.83 0.09 1.64 1.04 -1.25 -1.13 113.70 115.61 3aek s SER 111 Ca 0.54 -1.69 -0.24 0.00 0.48 0.00 0.00 55.95 55.05 3aek s SER 111 Cb -0.26 0.53 -0.14 0.00 0.10 0.00 0.00 66.02 66.25 3aek s SER 111 CO 0.33 -0.95 1.72 0.00 0.98 0.00 0.00 173.24 175.32 3aek h PRO 113 N -0.09 0.50 -0.46 0.00 0.11 -1.97 -0.92 132.00 129.18 3aek h PRO 113 Ca 0.00 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 3aek h PRO 113 Cb 0.08 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 3aek h PRO 113 CO -0.01 0.33 0.18 0.66 -0.21 0.00 0.00 178.00 178.95 3aek h SER 114 N 0.52 0.59 -0.07 -2.05 4.64 -1.72 -1.19 113.55 114.27 3aek h SER 114 Ca 0.16 -0.06 -0.23 0.00 -0.47 0.00 0.00 61.79 61.19 3aek h SER 114 Cb -0.02 -0.15 0.02 0.00 -0.31 0.00 0.00 62.40 61.93 3aek h SER 114 CO -0.06 0.54 -0.84 -0.33 -0.87 0.00 0.00 176.83 175.26 3aek h GLU 115 N 0.65 0.69 -0.25 4.77 5.08 -1.12 -1.01 114.58 123.39 3aek h GLU 115 Ca 0.16 -0.65 -0.06 0.00 -1.00 0.00 0.00 59.36 57.81 3aek h GLU 115 Cb 0.14 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3aek h GLU 115 CO -0.02 1.25 -0.10 0.28 -1.00 0.00 0.00 179.01 179.43 3aek h VAL 116 N 0.36 1.20 0.00 3.13 2.07 -1.09 -1.35 116.25 120.58 3aek h VAL 116 Ca -0.09 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.55 3aek h VAL 116 Cb 1.50 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 3aek h VAL 116 CO 0.17 0.29 0.00 0.18 0.02 0.00 0.00 177.57 178.23 3aek n LEU 117 N -4.24 0.42 -3.47 2.57 4.77 -0.46 -4.91 117.00 111.68 3aek n LEU 117 Ca 0.00 0.59 -0.25 0.00 -0.03 0.00 0.00 56.01 56.33 3aek n LEU 117 Cb 0.29 -0.53 0.05 0.00 -2.33 0.00 0.00 43.42 40.90 3aek n LEU 117 CO 0.39 -0.40 0.13 0.29 -1.33 0.00 0.00 177.39 176.48 3aek n LYS 118 N -1.96 -6.40 -2.06 3.23 5.02 -0.51 -4.95 118.16 110.54 3aek n LYS 118 Ca 0.03 0.79 -0.43 0.00 -2.02 0.00 0.00 58.31 56.69 3aek n LYS 118 Cb 0.23 -5.75 -0.03 0.00 -0.02 0.00 0.00 35.03 29.47 3aek n LYS 118 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3aek s LEU 119 N -7.08 3.82 -1.03 -0.35 1.43 -0.45 -4.93 118.68 110.09 3aek s LEU 119 Ca 0.51 1.60 -0.23 0.00 -1.03 0.00 0.00 54.13 54.98 3aek s LEU 119 Cb -0.23 -3.53 0.05 0.00 0.03 0.00 0.00 46.19 42.50 3aek s LEU 119 CO 0.63 -1.37 1.50 -0.62 0.23 0.00 0.00 176.35 176.72 3aek s ASP 120 N 4.75 6.44 0.28 2.29 3.68 -1.26 -4.77 116.67 128.07 3aek s ASP 120 Ca 0.75 -1.48 0.15 0.00 2.13 0.00 0.00 52.55 54.10 3aek s ASP 120 Cb -0.25 -2.57 0.16 0.00 -1.45 0.00 0.00 42.92 38.81 3aek s ASP 120 CO 0.31 -1.56 1.49 -0.07 0.13 0.00 0.00 175.17 175.46 3aek h LEU 121 N 13.08 0.00 -0.73 -1.34 4.07 -1.96 -2.44 115.31 125.99 3aek h LEU 121 Ca 0.21 0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.24 3aek h LEU 121 Cb 1.00 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.68 3aek h LEU 121 CO 1.42 0.54 0.41 0.44 -1.08 0.00 0.00 178.44 180.17 3aek h ASP 122 N 0.00 0.59 0.24 -0.43 3.32 -1.91 0.13 116.42 118.36 3aek h ASP 122 Ca -0.01 0.04 -0.23 0.00 0.02 0.00 0.00 57.03 56.85 3aek h ASP 122 Cb 1.33 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 40.81 3aek h ASP 122 CO 0.07 0.37 -0.94 -0.09 -1.72 0.00 0.00 179.24 176.93 3aek h ARG 123 N 0.72 0.49 -0.51 3.56 2.43 -1.94 -2.60 114.38 116.53 3aek h ARG 123 Ca 0.34 -0.51 0.01 0.00 -0.81 0.00 0.00 59.98 59.00 3aek h ARG 123 Cb 0.25 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 3aek h ARG 123 CO -0.21 1.15 0.33 0.00 -1.51 0.00 0.00 179.97 179.73 3aek h ALA 124 N 0.67 0.65 -0.44 2.80 0.00 -1.13 -0.56 119.26 121.26 3aek h ALA 124 Ca -0.09 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3aek h ALA 124 Cb 1.58 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 3aek h ALA 124 CO 0.17 0.07 0.27 0.00 0.00 0.00 0.00 179.25 179.77 3aek h ALA 125 N 1.20 0.56 -0.23 0.00 0.00 -0.73 0.22 119.26 120.28 3aek h ALA 125 Ca 0.19 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.13 3aek h ALA 125 Cb -0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3aek h ALA 125 CO -0.05 -0.03 -0.03 1.49 0.00 0.00 0.00 179.25 180.62 3aek h GLU 126 N 0.56 0.03 -0.04 0.00 4.57 -1.26 0.77 114.58 119.20 3aek h GLU 126 Ca 0.17 -0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.19 3aek h GLU 126 Cb -0.02 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 3aek h GLU 126 CO -0.06 0.02 -0.67 0.07 -1.18 0.00 0.00 179.01 177.19 3aek h ARG 127 N 0.03 0.19 -0.07 1.92 0.11 -0.78 -2.74 114.38 113.04 3aek h ARG 127 Ca 0.11 -0.15 -0.22 0.00 0.10 0.00 0.00 59.98 59.82 3aek h ARG 127 Cb 0.16 0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.27 3aek h ARG 127 CO -0.21 0.79 -0.84 -0.07 0.10 0.00 0.00 179.97 179.74 3aek h LEU 128 N 0.14 0.68 -0.77 0.08 -0.00 -0.42 -1.83 115.31 113.18 3aek h LEU 128 Ca -0.01 -0.48 0.04 0.00 -0.00 0.00 0.00 57.88 57.42 3aek h LEU 128 Cb 1.20 -0.20 -0.05 0.00 -0.00 0.00 0.00 40.66 41.61 3aek h LEU 128 CO 0.10 1.26 0.49 0.28 -0.00 0.00 0.00 178.44 180.57 3aek h SER 129 N 0.36 0.79 -0.43 -0.43 0.02 -0.86 0.91 113.55 113.91 3aek h SER 129 Ca -0.06 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.80 3aek h SER 129 Cb 1.45 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.80 3aek h SER 129 CO 0.15 0.54 -0.05 1.23 -1.14 0.00 0.00 176.83 177.56 3aek h GLY 130 N 0.93 0.93 0.83 -3.77 0.00 -1.40 -0.96 103.07 99.63 3aek h GLY 130 Ca 0.32 -0.67 -0.13 0.00 0.00 0.00 0.00 47.33 46.84 3aek h GLY 130 CO -0.13 0.62 -0.43 1.41 0.00 0.00 0.00 176.54 178.01 3aek h LEU 131 N 0.79 0.56 -2.48 3.11 4.07 -1.02 -3.35 115.31 116.99 3aek h LEU 131 Ca 0.14 -0.63 0.00 0.00 0.08 0.00 0.00 57.88 57.47 3aek h LEU 131 Cb 0.54 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.12 3aek h LEU 131 CO 0.03 1.10 0.00 1.41 -1.08 0.00 0.00 178.44 179.90 3aek n HIS 132 N -4.29 0.62 -1.88 1.13 8.25 0.29 -4.95 115.22 114.38 3aek n HIS 132 Ca -0.08 -0.34 -0.37 0.00 -0.26 0.00 0.00 57.72 56.67 3aek n HIS 132 Cb 0.56 -0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.71 3aek n HIS 132 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3aek s ALA 133 N -1.25 2.57 -2.62 -1.41 0.00 -0.37 -2.01 121.76 116.67 3aek s ALA 133 Ca 0.39 1.15 0.25 0.00 0.00 0.00 0.00 51.96 53.75 3aek s ALA 133 Cb 0.22 -3.51 0.69 0.00 0.00 0.00 0.00 23.12 20.52 3aek s ALA 133 CO 0.30 -1.33 1.54 -0.35 0.00 0.00 0.00 175.76 175.91 3aek n PRO 134 N -1.52 1.95 -0.11 0.00 -0.04 -1.26 -4.87 135.00 129.15 3aek n PRO 134 Ca 0.13 -1.39 -0.13 0.00 -0.04 0.00 0.00 63.50 62.07 3aek n PRO 134 Cb 0.48 -1.46 -0.03 0.00 -0.04 0.00 0.00 33.50 32.44 3aek n PRO 134 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3aek h HIS 135 N 3.22 1.03 -3.14 0.54 2.76 -1.92 -3.42 115.15 114.22 3aek h HIS 135 Ca 0.00 -0.32 -0.61 0.00 -2.20 0.00 0.00 60.37 57.25 3aek h HIS 135 Cb 0.69 -0.21 -0.36 0.00 1.55 0.00 0.00 27.41 29.08 3aek h HIS 135 CO 0.04 1.12 -0.84 0.08 -1.30 0.00 0.00 177.93 177.03 3aek s VAL 136 N -4.36 1.60 -0.12 5.26 1.01 -0.85 -4.55 120.40 118.39 3aek s VAL 136 Ca -0.11 -0.66 -0.16 0.00 0.00 0.00 0.00 61.98 61.05 3aek s VAL 136 Cb 0.10 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 3aek s VAL 136 CO 0.87 0.46 0.40 -0.60 0.00 0.00 0.00 175.10 176.22 3aek s ARG 137 N 1.38 4.24 -0.07 2.72 3.52 -0.23 -3.91 118.95 126.60 3aek s ARG 137 Ca 0.03 0.31 0.03 0.00 -0.13 0.00 0.00 55.73 55.97 3aek s ARG 137 Cb -0.13 -3.40 -0.02 0.00 -1.56 0.00 0.00 34.95 29.84 3aek s ARG 137 CO -0.09 0.27 -0.16 0.54 -0.81 0.00 0.00 175.30 175.05 3aek s VAL 138 N 0.29 2.84 0.41 7.11 0.11 -1.26 -1.16 120.40 128.75 3aek s VAL 138 Ca 0.22 -0.78 0.07 0.00 -2.93 0.00 0.00 61.98 58.56 3aek s VAL 138 Cb -0.15 -2.12 -0.07 0.00 -1.53 0.00 0.00 36.38 32.52 3aek s VAL 138 CO 0.08 0.57 0.07 -0.31 -3.33 0.00 0.00 175.10 172.18 3aek s TYR 139 N -0.33 2.55 -0.01 1.54 2.02 0.70 -4.59 117.35 119.22 3aek s TYR 139 Ca 0.03 -0.62 0.01 0.00 -0.37 0.00 0.00 57.07 56.12 3aek s TYR 139 Cb -0.13 -1.82 0.01 0.00 -0.40 0.00 0.00 41.96 39.62 3aek s TYR 139 CO 0.02 0.35 -0.04 0.45 -1.57 0.00 0.00 175.55 174.77 3aek s SER 140 N -3.78 0.55 0.07 2.29 0.15 -1.26 -0.92 113.70 110.80 3aek s SER 140 Ca 0.37 -0.08 -0.18 0.00 0.70 0.00 0.00 55.95 56.77 3aek s SER 140 Cb 0.07 -0.13 0.04 0.00 -1.71 0.00 0.00 66.02 64.28 3aek s SER 140 CO 0.20 0.01 0.41 -0.72 1.20 0.00 0.00 173.24 174.35 3aek s TYR 141 N 0.21 -0.25 -0.03 3.44 -0.85 -0.82 -4.80 117.35 114.24 3aek s TYR 141 Ca -0.02 0.12 -0.19 0.00 -0.52 0.00 0.00 57.07 56.46 3aek s TYR 141 Cb -0.05 0.24 -0.05 0.00 0.38 0.00 0.00 41.96 42.48 3aek s TYR 141 CO -0.00 -0.62 0.54 -0.08 -1.52 0.00 0.00 175.55 173.86 3aek s THR 142 N -2.95 5.00 -0.07 -3.49 -1.32 -1.26 -0.18 115.64 111.37 3aek s THR 142 Ca -0.02 1.11 0.11 0.00 -1.21 0.00 0.00 61.69 61.68 3aek s THR 142 Cb 0.00 -3.87 0.16 0.00 -1.51 0.00 0.00 72.50 67.28 3aek s THR 142 CO -0.06 0.42 1.05 0.61 -2.21 0.00 0.00 174.62 174.43 3aek n GLY 143 N 2.57 3.23 3.77 6.08 0.00 -0.28 -4.78 105.19 115.78 3aek n GLY 143 Ca -0.08 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 3aek n GLY 143 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3aek s SER 144 N -2.00 5.58 0.56 1.61 1.04 -0.89 -0.96 113.70 118.65 3aek s SER 144 Ca 0.18 2.15 0.31 0.00 0.48 0.00 0.00 55.95 59.06 3aek s SER 144 Cb 0.16 -2.58 1.66 0.00 0.10 0.00 0.00 66.02 65.36 3aek s SER 144 CO 0.02 -1.31 2.15 1.23 0.98 0.00 0.00 173.24 176.30 3aek h GLY 145 N 0.95 0.00 2.00 7.32 0.00 -1.91 0.57 103.07 112.00 3aek h GLY 145 Ca -0.49 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 3aek h GLY 145 CO 0.56 0.00 -0.19 1.41 0.00 0.00 0.00 176.54 178.32 3aek h LEU 146 N 0.00 0.00 0.00 3.11 3.38 -1.94 -3.37 115.31 116.49 3aek h LEU 146 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3aek h LEU 146 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3aek h LEU 146 CO 0.01 0.19 -1.11 0.47 0.09 0.00 0.00 178.44 178.10 3aek n ASP 147 N -3.61 4.53 -4.14 -0.43 8.00 -0.93 -5.09 116.55 114.88 3aek n ASP 147 Ca -0.01 -0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.36 3aek n ASP 147 Cb 0.33 0.47 -0.11 0.00 -0.02 0.00 0.00 41.12 41.79 3aek n ASP 147 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3aek s THR 148 N -2.04 0.76 -0.17 -3.53 -4.23 0.15 -5.00 115.64 101.58 3aek s THR 148 Ca -0.01 -1.55 0.01 0.00 -1.18 0.00 0.00 61.69 58.96 3aek s THR 148 Cb 0.00 -1.22 0.03 0.00 1.34 0.00 0.00 72.50 72.65 3aek s THR 148 CO 0.06 -0.58 -0.14 -0.89 -0.54 0.00 0.00 174.62 172.52 3aek s THR 149 N -2.42 1.69 0.00 3.99 2.01 -1.26 -3.74 115.64 115.91 3aek s THR 149 Ca 0.02 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.22 3aek s THR 149 Cb -0.03 -1.63 0.00 0.00 0.01 0.00 0.00 72.50 70.85 3aek s THR 149 CO -0.01 0.39 0.00 0.33 -0.69 0.00 0.00 174.62 174.64 3aek n PHE 150 N 4.71 0.00 0.30 4.92 -0.00 0.46 -1.32 117.46 126.54 3aek n PHE 150 Ca -0.17 0.00 0.19 0.00 -0.00 0.00 0.00 57.45 57.47 3aek n PHE 150 Cb 0.49 0.00 1.03 0.00 -0.00 0.00 0.00 39.48 41.00 3aek n PHE 150 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.76 178.55 3aek h THR 151 N 0.00 0.27 0.00 -2.13 1.35 -1.83 -2.01 112.91 108.55 3aek h THR 151 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3aek h THR 151 Cb 0.00 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 67.37 3aek h THR 151 CO 0.00 0.00 0.01 1.56 -0.25 0.00 0.00 175.52 176.84 3aek h GLN 152 N 0.00 0.00 -0.38 4.72 4.20 -1.48 -1.41 115.11 120.75 3aek h GLN 152 Ca 0.01 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 3aek h GLN 152 Cb 0.11 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 3aek h GLN 152 CO -0.00 0.00 0.01 0.78 -0.67 0.00 0.00 178.83 178.95 3aek h GLY 153 N 0.00 0.65 1.01 3.46 0.00 -1.51 -1.00 103.07 105.68 3aek h GLY 153 Ca 0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 46.88 3aek h GLY 153 CO 0.00 0.37 0.16 -2.09 0.00 0.00 0.00 176.54 174.98 3aek h GLU 154 N 0.57 0.93 -0.08 4.80 4.81 -1.47 -2.18 114.58 121.97 3aek h GLU 154 Ca 0.12 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3aek h GLU 154 Cb 0.36 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 3aek h GLU 154 CO 0.01 0.85 0.03 0.22 -0.73 0.00 0.00 179.01 179.39 3aek h ASP 155 N 0.84 0.10 -0.45 1.04 3.58 -1.43 -0.14 116.42 119.96 3aek h ASP 155 Ca 0.19 -0.15 -0.06 0.00 0.42 0.00 0.00 57.03 57.43 3aek h ASP 155 Cb 0.32 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 3aek h ASP 155 CO -0.00 0.22 0.09 0.71 -2.88 0.00 0.00 179.24 177.37 3aek h THR 156 N -0.02 1.23 0.85 2.25 1.35 -1.26 -1.45 112.91 115.85 3aek h THR 156 Ca 0.03 -0.86 -0.04 0.00 -0.55 0.00 0.00 66.41 64.98 3aek h THR 156 Cb 0.15 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 67.31 3aek h THR 156 CO -0.00 0.32 -0.45 0.00 -0.25 0.00 0.00 175.52 175.14 3aek h LEU 158 N -1.19 1.04 -1.63 0.00 3.38 -1.00 -1.94 115.31 113.97 3aek h LEU 158 Ca -0.11 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3aek h LEU 158 Cb 0.93 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3aek h LEU 158 CO 0.16 0.77 -0.10 0.00 0.09 0.00 0.00 178.44 179.36 3aek h ALA 159 N 1.41 1.70 0.00 1.53 0.00 -1.25 -2.17 119.26 120.48 3aek h ALA 159 Ca 0.33 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3aek h ALA 159 Cb -0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3aek h ALA 159 CO -0.07 0.23 -0.38 0.00 0.00 0.00 0.00 179.25 179.03 3aek h ALA 160 N 1.79 1.20 0.00 0.00 0.00 -0.82 -2.97 119.26 118.46 3aek h ALA 160 Ca 0.02 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 3aek h ALA 160 Cb 0.25 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3aek h ALA 160 CO 0.02 0.48 -0.52 0.52 0.00 0.00 0.00 179.25 179.75 3aek h MET 161 N 0.00 0.00 -0.20 0.00 2.07 -1.32 -3.40 114.93 112.08 3aek h MET 161 Ca -0.00 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.62 3aek h MET 161 Cb 0.76 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.48 3aek h MET 161 CO 0.05 0.52 0.10 0.28 1.07 0.00 0.00 176.91 178.93 3aek h VAL 162 N 0.00 1.13 -0.08 -2.22 2.07 -1.37 -2.51 116.25 113.26 3aek h VAL 162 Ca -0.01 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.18 3aek h VAL 162 Cb 1.35 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 3aek h VAL 162 CO 0.07 0.12 0.14 -0.65 0.02 0.00 0.00 177.57 177.27 3aek h PRO 163 N 0.20 0.00 0.00 1.57 0.11 -1.77 -2.30 132.00 129.82 3aek h PRO 163 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 3aek h PRO 163 Cb 0.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.22 3aek h PRO 163 CO -0.01 0.00 -0.94 0.25 -0.21 0.00 0.00 178.00 177.09 3aek n THR 164 N -3.51 0.01 -1.73 -1.15 -2.24 -0.97 -4.96 114.28 99.73 3aek n THR 164 Ca -0.01 -0.03 -0.38 0.00 -2.27 0.00 0.00 64.05 61.36 3aek n THR 164 Cb 0.23 0.77 0.06 0.00 -2.10 0.00 0.00 70.33 69.29 3aek n THR 164 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3aek n LEU 165 N -1.55 5.69 -4.68 3.22 4.77 -0.87 -4.97 117.00 118.61 3aek n LEU 165 Ca 0.04 0.89 -0.36 0.00 -0.03 0.00 0.00 56.01 56.55 3aek n LEU 165 Cb 0.35 -1.55 0.09 0.00 -2.33 0.00 0.00 43.42 39.97 3aek n LEU 165 CO 0.41 -0.88 0.73 0.47 -1.33 0.00 0.00 177.39 176.79 3aek n ASP 166 N -1.45 1.24 -4.87 -1.43 8.00 -1.26 -4.78 116.55 112.00 3aek n ASP 166 Ca 0.14 0.72 -0.32 0.00 0.71 0.00 0.00 54.79 56.03 3aek n ASP 166 Cb 0.46 -1.49 -0.05 0.00 -0.02 0.00 0.00 41.12 40.02 3aek n ASP 166 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3aek s THR 167 N -1.70 4.89 0.04 -3.53 -1.32 -1.26 -0.93 115.64 111.83 3aek s THR 167 Ca 0.77 0.55 -0.21 0.00 -1.21 0.00 0.00 61.69 61.59 3aek s THR 167 Cb -0.35 -3.62 0.05 0.00 -1.51 0.00 0.00 72.50 67.07 3aek s THR 167 CO 0.46 -0.08 0.48 0.28 -2.21 0.00 0.00 174.62 173.55 3aek s THR 168 N -1.83 0.04 -1.67 5.08 -1.32 -1.05 -4.77 115.64 110.12 3aek s THR 168 Ca 0.48 -0.31 0.17 0.00 -1.21 0.00 0.00 61.69 60.82 3aek s THR 168 Cb -0.11 -0.95 0.02 0.00 -1.51 0.00 0.00 72.50 69.95 3aek s THR 168 CO 0.21 -0.17 0.92 -1.84 -2.21 0.00 0.00 174.62 171.52 3aek n GLU 169 N 0.51 1.59 -1.74 7.08 0.28 -1.26 -3.58 120.64 123.52 3aek n GLU 169 Ca -0.19 -0.96 -0.39 0.00 -0.16 0.00 0.00 57.16 55.47 3aek n GLU 169 Cb 0.60 -1.31 0.04 0.00 1.43 0.00 0.00 31.44 32.20 3aek n GLU 169 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3aek n ALA 170 N 0.07 1.56 -2.67 -1.84 0.00 -1.26 -4.65 120.51 111.72 3aek n ALA 170 Ca 0.08 0.13 -0.42 0.00 0.00 0.00 0.00 53.44 53.22 3aek n ALA 170 Cb 0.37 -2.35 0.01 0.00 0.00 0.00 0.00 19.45 17.48 3aek n ALA 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3aek n ALA 171 N -1.05 5.83 -2.46 0.00 0.00 -1.26 -4.06 120.51 117.51 3aek n ALA 171 Ca 0.11 -4.61 -0.24 0.00 0.00 0.00 0.00 53.44 48.70 3aek n ALA 171 Cb 0.45 -2.35 -0.00 0.00 0.00 0.00 0.00 19.45 17.55 3aek n ALA 171 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3aek s GLU 172 N -3.25 3.35 -0.14 0.00 2.02 -1.26 -4.84 118.70 114.58 3aek s GLU 172 Ca 0.38 -0.26 -0.12 0.00 0.02 0.00 0.00 54.97 54.99 3aek s GLU 172 Cb 0.14 -2.56 -0.05 0.00 0.10 0.00 0.00 34.13 31.76 3aek s GLU 172 CO -0.04 -0.08 0.26 -1.17 0.02 0.00 0.00 175.26 174.24 3aek s LEU 173 N -4.50 4.29 -0.20 1.80 0.20 -0.89 -1.58 118.68 117.80 3aek s LEU 173 Ca 0.45 0.51 -0.04 0.00 0.69 0.00 0.00 54.13 55.74 3aek s LEU 173 Cb -0.10 -2.31 -0.02 0.00 -0.43 0.00 0.00 46.19 43.34 3aek s LEU 173 CO 0.39 0.19 -0.04 -0.63 -0.29 0.00 0.00 176.35 175.96 3aek s ILE 174 N 0.03 3.55 -0.22 6.68 1.01 0.11 -0.78 121.20 131.57 3aek s ILE 174 Ca 0.16 -0.45 -0.16 0.00 0.00 0.00 0.00 60.65 60.19 3aek s ILE 174 Cb -0.13 -2.59 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 3aek s ILE 174 CO 0.04 0.44 0.43 -0.69 0.00 0.00 0.00 174.94 175.16 3aek s VAL 175 N 1.08 5.16 -0.15 2.92 1.01 0.13 -0.90 120.40 129.65 3aek s VAL 175 Ca 0.01 0.74 -0.04 0.00 0.00 0.00 0.00 61.98 62.69 3aek s VAL 175 Cb -0.15 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 3aek s VAL 175 CO 0.00 0.20 -0.01 -0.69 0.00 0.00 0.00 175.10 174.60 3aek s VAL 176 N 1.66 4.13 0.00 2.92 1.01 -0.29 -0.86 120.40 128.98 3aek s VAL 176 Ca 0.19 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.89 3aek s VAL 176 Cb -0.15 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.42 3aek s VAL 176 CO 0.09 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.30 3aek n GLY 177 N 3.29 4.17 3.59 4.51 0.00 0.63 -0.56 105.19 120.83 3aek n GLY 177 Ca -0.17 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.13 3aek n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aek s ALA 178 N -1.09 3.33 0.08 4.61 0.00 -1.26 -4.34 121.76 123.08 3aek s ALA 178 Ca 0.00 -0.56 0.07 0.00 0.00 0.00 0.00 51.96 51.46 3aek s ALA 178 Cb 0.00 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 3aek s ALA 178 CO 0.00 -1.81 -0.12 -0.51 0.00 0.00 0.00 175.76 173.31 3aek s LEU 179 N 3.65 2.93 0.42 0.00 1.43 -1.26 -5.09 118.68 120.76 3aek s LEU 179 Ca 0.39 -0.38 -0.23 0.00 -1.03 0.00 0.00 54.13 52.87 3aek s LEU 179 Cb -0.11 -1.73 -0.11 0.00 0.03 0.00 0.00 46.19 44.27 3aek s LEU 179 CO 0.22 0.21 0.80 -2.65 0.23 0.00 0.00 176.35 175.16 3aek n PRO 180 N 1.02 0.95 -0.30 1.29 -0.02 -1.26 -4.67 135.00 132.01 3aek n PRO 180 Ca -0.15 0.35 0.08 0.00 -2.02 0.00 0.00 63.50 61.75 3aek n PRO 180 Cb 0.52 -1.79 0.29 0.00 -0.02 0.00 0.00 33.50 32.50 3aek n PRO 180 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3aek h ASP 181 N 1.15 0.82 -0.55 2.55 3.45 -1.98 -0.43 116.42 121.42 3aek h ASP 181 Ca -0.42 0.03 -0.04 0.00 0.43 0.00 0.00 57.03 57.03 3aek h ASP 181 Cb 1.37 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 39.97 3aek h ASP 181 CO 0.54 0.47 0.20 -0.37 -1.57 0.00 0.00 179.24 178.51 3aek h VAL 182 N 0.90 1.23 -0.18 -1.35 -1.51 -1.99 -1.00 116.25 112.35 3aek h VAL 182 Ca 0.43 -0.74 -0.02 0.00 -1.23 0.00 0.00 66.70 65.15 3aek h VAL 182 Cb 0.45 0.68 -0.01 0.00 -2.13 0.00 0.00 31.29 30.28 3aek h VAL 182 CO -0.20 0.28 0.04 0.58 -1.23 0.00 0.00 177.57 177.04 3aek h VAL 183 N 0.76 1.21 -0.72 7.19 2.07 -1.66 -2.09 116.25 123.01 3aek h VAL 183 Ca 0.18 -0.68 0.05 0.00 0.82 0.00 0.00 66.70 67.07 3aek h VAL 183 Cb 0.24 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 3aek h VAL 183 CO -0.01 0.21 0.43 -0.08 0.02 0.00 0.00 177.57 178.13 3aek h GLU 184 N 0.10 0.78 -0.69 1.57 4.81 -1.04 -0.78 114.58 119.32 3aek h GLU 184 Ca 0.06 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 3aek h GLU 184 Cb 0.28 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 3aek h GLU 184 CO 0.00 0.51 0.28 -0.44 -0.73 0.00 0.00 179.01 178.63 3aek h ASP 185 N 0.80 0.96 -0.58 1.04 3.32 -1.08 -1.41 116.42 119.46 3aek h ASP 185 Ca 0.31 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 3aek h ASP 185 Cb 0.13 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3aek h ASP 185 CO -0.16 0.87 0.06 1.56 -1.72 0.00 0.00 179.24 179.85 3aek h GLN 186 N 0.99 0.98 0.05 3.56 4.20 -0.94 -2.00 115.11 121.94 3aek h GLN 186 Ca 0.23 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3aek h GLN 186 Cb 0.21 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3aek h GLN 186 CO -0.02 0.95 -0.06 0.00 -0.67 0.00 0.00 178.83 179.03 3aek h LEU 188 N -0.14 0.77 0.29 0.00 -0.00 -1.23 -2.33 115.31 112.67 3aek h LEU 188 Ca 0.01 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.89 3aek h LEU 188 Cb 0.14 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 40.67 3aek h LEU 188 CO -0.03 0.49 -0.14 -1.28 -0.00 0.00 0.00 178.44 177.48 3aek h SER 189 N 0.90 -0.33 -0.54 -0.43 0.87 -1.07 -0.89 113.55 112.06 3aek h SER 189 Ca 0.36 -0.09 0.05 0.00 -1.23 0.00 0.00 61.79 60.88 3aek h SER 189 Cb 0.18 0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 62.18 3aek h SER 189 CO -0.18 -0.11 0.27 -0.07 -0.53 0.00 0.00 176.83 176.21 3aek h LEU 190 N -0.54 0.39 -0.62 2.23 3.38 -1.10 0.03 115.31 119.08 3aek h LEU 190 Ca -0.04 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 3aek h LEU 190 Cb 0.40 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3aek h LEU 190 CO 0.07 0.26 0.03 -0.07 0.09 0.00 0.00 178.44 178.82 3aek h LEU 191 N 0.52 1.05 -0.78 1.67 3.38 -1.41 -1.15 115.31 118.59 3aek h LEU 191 Ca 0.24 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3aek h LEU 191 Cb 0.16 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3aek h LEU 191 CO -0.17 1.09 0.20 0.74 0.09 0.00 0.00 178.44 180.39 3aek h THR 192 N 0.99 1.26 -0.34 0.22 2.02 -0.74 -0.22 112.91 116.10 3aek h THR 192 Ca 0.18 -0.93 -0.05 0.00 0.77 0.00 0.00 66.41 66.38 3aek h THR 192 Cb 0.53 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 3aek h THR 192 CO 0.03 0.36 -0.00 1.56 0.37 0.00 0.00 175.52 177.83 3aek h GLN 193 N 1.06 0.53 0.00 6.66 4.20 -0.74 -1.85 115.11 124.98 3aek h GLN 193 Ca 0.23 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3aek h GLN 193 Cb 0.33 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3aek h GLN 193 CO -0.00 0.56 0.00 1.28 -0.67 0.00 0.00 178.83 180.00 3aek n LEU 194 N -4.28 0.00 0.00 1.46 4.77 -0.46 -4.89 117.00 113.61 3aek n LEU 194 Ca 0.01 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 3aek n LEU 194 Cb 0.25 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3aek n LEU 194 CO 0.39 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3aek n GLY 195 N 0.84 0.48 3.59 -0.72 0.00 -0.69 -4.88 105.19 103.81 3aek n GLY 195 Ca 0.13 -0.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 3aek n GLY 195 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3aek s VAL 196 N -2.00 4.52 0.00 1.61 0.11 -0.13 -5.01 120.40 119.50 3aek s VAL 196 Ca 0.00 -0.13 0.00 0.00 -2.93 0.00 0.00 61.98 58.92 3aek s VAL 196 Cb 0.00 -3.03 0.00 0.00 -1.53 0.00 0.00 36.38 31.82 3aek s VAL 196 CO 0.00 0.46 0.00 0.61 -3.33 0.00 0.00 175.10 172.84 3aek n GLY 197 N 3.60 0.92 3.76 6.54 0.00 -1.26 -3.82 105.19 114.93 3aek n GLY 197 Ca -0.17 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 44.72 3aek n GLY 197 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3aek s PRO 198 N -2.00 4.51 -0.12 1.61 0.02 -1.26 -4.91 135.00 132.84 3aek s PRO 198 Ca 0.00 1.78 -0.00 0.00 0.02 0.00 0.00 61.00 62.80 3aek s PRO 198 Cb 0.00 -3.05 -0.02 0.00 0.02 0.00 0.00 34.50 31.46 3aek s PRO 198 CO 0.00 0.10 -0.13 0.54 -0.33 0.00 0.00 177.00 177.18 3aek s VAL 199 N -1.26 3.09 0.30 3.83 0.11 -1.26 -2.09 120.40 123.12 3aek s VAL 199 Ca 0.48 -0.65 0.11 0.00 -2.93 0.00 0.00 61.98 58.98 3aek s VAL 199 Cb -0.31 -2.29 -0.05 0.00 -1.53 0.00 0.00 36.38 32.20 3aek s VAL 199 CO 0.39 0.53 -0.13 -0.13 -3.33 0.00 0.00 175.10 172.44 3aek s ARG 200 N 0.26 1.84 -0.02 1.54 1.81 0.04 -4.99 118.95 119.43 3aek s ARG 200 Ca -0.09 -1.76 0.04 0.00 -1.72 0.00 0.00 55.73 52.21 3aek s ARG 200 Cb -0.15 -1.83 -0.03 0.00 -0.45 0.00 0.00 34.95 32.49 3aek s ARG 200 CO 0.05 0.27 -0.15 -1.64 -0.68 0.00 0.00 175.30 173.16 3aek s MET 201 N -3.58 2.40 -0.20 3.54 -1.94 -1.26 -0.69 119.30 117.57 3aek s MET 201 Ca 0.31 -0.77 0.01 0.00 -1.71 0.00 0.00 55.69 53.54 3aek s MET 201 Cb -0.03 -2.34 0.04 0.00 2.01 0.00 0.00 34.83 34.51 3aek s MET 201 CO 0.16 0.60 -0.13 -1.17 -0.01 0.00 0.00 175.02 174.47 3aek s LEU 202 N -0.96 2.37 0.57 -0.03 2.96 -0.04 -2.53 118.68 121.01 3aek s LEU 202 Ca 0.13 -0.87 -0.14 0.00 -0.22 0.00 0.00 54.13 53.03 3aek s LEU 202 Cb -0.11 -1.34 -0.05 0.00 0.50 0.00 0.00 46.19 45.19 3aek s LEU 202 CO 0.02 -0.11 1.02 -2.16 -1.32 0.00 0.00 176.35 173.80 3aek s PRO 203 N 1.33 3.66 0.90 0.98 0.04 -1.26 -0.26 135.00 140.39 3aek s PRO 203 Ca -0.00 0.94 -0.13 0.00 0.04 0.00 0.00 61.00 61.85 3aek s PRO 203 Cb -0.16 -2.09 0.13 0.00 0.04 0.00 0.00 34.50 32.43 3aek s PRO 203 CO -0.09 -0.51 1.17 0.00 0.04 0.00 0.00 177.00 177.60 3aek s ALA 204 N -2.78 2.03 -0.31 8.56 0.00 -1.05 -4.91 121.76 123.29 3aek s ALA 204 Ca 0.59 -0.65 0.19 0.00 0.00 0.00 0.00 51.96 52.09 3aek s ALA 204 Cb -0.12 -2.98 0.22 0.00 0.00 0.00 0.00 23.12 20.25 3aek s ALA 204 CO 0.40 -2.18 1.54 0.00 0.00 0.00 0.00 175.76 175.52 3aek h ARG 205 N -1.43 0.00 -4.58 0.00 3.08 -1.90 -3.43 114.38 106.12 3aek h ARG 205 Ca -0.48 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.32 3aek h ARG 205 Cb 1.32 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 31.18 3aek h ARG 205 CO 0.59 0.22 -0.72 1.03 -1.07 0.00 0.00 179.97 180.03 3aek s ARG 206 N -3.10 0.64 0.50 0.04 0.52 -1.26 -2.09 118.95 114.20 3aek s ARG 206 Ca 0.06 -0.98 0.28 0.00 -0.52 0.00 0.00 55.73 54.57 3aek s ARG 206 Cb 0.06 -0.24 1.28 0.00 0.52 0.00 0.00 34.95 36.58 3aek s ARG 206 CO 0.70 0.02 1.98 0.66 0.02 0.00 0.00 175.30 178.68 3aek h SER 207 N 3.91 0.00 -0.06 0.23 4.64 -1.94 -2.61 113.55 117.73 3aek h SER 207 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3aek h SER 207 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3aek h SER 207 CO 0.50 0.14 0.00 -0.90 -0.87 0.00 0.00 176.83 175.70 3aek n ASP 208 N -3.44 1.43 -0.69 4.97 5.75 -1.26 -4.01 116.55 119.30 3aek n ASP 208 Ca -0.01 -1.53 0.05 0.00 -0.01 0.00 0.00 54.79 53.30 3aek n ASP 208 Cb 0.31 -0.03 0.11 0.00 -1.03 0.00 0.00 41.12 40.48 3aek n ASP 208 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 3aek n ILE 209 N 0.13 1.20 -1.93 2.12 -5.35 -0.98 -5.08 119.36 109.46 3aek n ILE 209 Ca 0.18 -1.89 -0.37 0.00 -0.27 0.00 0.00 62.75 60.40 3aek n ILE 209 Cb 0.33 0.20 0.04 0.00 -1.74 0.00 0.00 39.64 38.47 3aek n ILE 209 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 3aek s GLU 210 N -1.78 2.94 0.52 6.28 0.41 -1.24 -4.79 118.70 121.05 3aek s GLU 210 Ca 0.29 1.94 -0.21 0.00 -0.41 0.00 0.00 54.97 56.58 3aek s GLU 210 Cb 0.29 -1.98 -0.06 0.00 -1.78 0.00 0.00 34.13 30.60 3aek s GLU 210 CO -0.06 -1.26 1.19 -1.25 -0.49 0.00 0.00 175.26 173.39 3aek s PRO 211 N -3.24 3.43 0.46 0.39 0.04 -1.26 -4.96 135.00 129.86 3aek s PRO 211 Ca 0.77 1.79 -0.09 0.00 0.04 0.00 0.00 61.00 63.51 3aek s PRO 211 Cb -0.33 -2.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.96 3aek s PRO 211 CO 0.37 -0.83 0.81 0.00 0.04 0.00 0.00 177.00 177.39 3aek s ALA 212 N -1.59 3.33 0.02 8.56 0.00 -1.26 -4.45 121.76 126.36 3aek s ALA 212 Ca 0.70 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.40 3aek s ALA 212 Cb -0.29 -2.73 -0.01 0.00 0.00 0.00 0.00 23.12 20.09 3aek s ALA 212 CO 0.34 -0.21 -0.07 0.14 0.00 0.00 0.00 175.76 175.96 3aek s VAL 213 N -2.59 0.53 0.00 0.00 -7.23 -0.11 -4.88 120.40 106.11 3aek s VAL 213 Ca 0.51 -0.59 0.00 0.00 -1.81 0.00 0.00 61.98 60.08 3aek s VAL 213 Cb -0.10 -0.51 0.00 0.00 0.56 0.00 0.00 36.38 36.33 3aek s VAL 213 CO 0.38 -0.06 0.00 0.61 -0.31 0.00 0.00 175.10 175.72 3aek n GLY 214 N 2.34 2.18 0.00 2.32 0.00 -1.23 -2.53 105.19 108.27 3aek n GLY 214 Ca -0.17 -0.94 0.07 0.00 0.00 0.00 0.00 46.02 44.99 3aek n GLY 214 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3aek n PRO 215 N 0.00 0.13 -0.03 1.61 -0.04 -1.26 -2.59 135.00 132.81 3aek n PRO 215 Ca 0.00 0.18 0.04 0.00 -0.04 0.00 0.00 63.50 63.68 3aek n PRO 215 Cb 0.00 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.01 3aek n PRO 215 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3aek n ASN 216 N -1.38 1.89 -4.75 3.54 5.03 -1.26 -4.78 115.26 113.55 3aek n ASN 216 Ca 0.06 -1.50 -0.41 0.00 0.87 0.00 0.00 54.58 53.60 3aek n ASN 216 Cb 0.15 -0.04 -0.04 0.00 -1.02 0.00 0.00 39.78 38.83 3aek n ASN 216 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3aek s THR 217 N -0.72 3.36 -0.06 3.41 2.01 -1.07 -4.33 115.64 118.24 3aek s THR 217 Ca 0.10 1.28 0.02 0.00 0.31 0.00 0.00 61.69 63.40 3aek s THR 217 Cb 0.07 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 3aek s THR 217 CO 0.09 0.27 -0.10 -0.13 -0.69 0.00 0.00 174.62 174.06 3aek s ARG 218 N -1.04 2.68 0.10 4.92 1.81 -0.61 -0.67 118.95 126.14 3aek s ARG 218 Ca 0.49 -0.61 0.06 0.00 -1.72 0.00 0.00 55.73 53.95 3aek s ARG 218 Cb -0.34 -2.51 -0.03 0.00 -0.45 0.00 0.00 34.95 31.62 3aek s ARG 218 CO 0.42 0.64 -0.15 -0.59 -0.68 0.00 0.00 175.30 174.93 3aek s PHE 219 N -0.74 1.42 -0.02 -0.53 -0.71 -0.53 0.06 117.98 116.93 3aek s PHE 219 Ca 0.11 -0.49 0.01 0.00 -1.04 0.00 0.00 56.93 55.52 3aek s PHE 219 Cb -0.11 -0.77 0.01 0.00 -1.21 0.00 0.00 43.02 40.94 3aek s PHE 219 CO 0.01 0.13 -0.04 -1.50 -1.34 0.00 0.00 175.22 172.48 3aek s ILE 220 N -1.65 0.39 -0.14 -4.49 2.07 -0.08 -0.10 121.20 117.20 3aek s ILE 220 Ca 0.05 -0.15 -0.23 0.00 -1.41 0.00 0.00 60.65 58.90 3aek s ILE 220 Cb -0.08 -0.37 -0.03 0.00 0.13 0.00 0.00 42.46 42.12 3aek s ILE 220 CO 0.03 0.14 0.73 -0.76 -1.91 0.00 0.00 174.94 173.17 3aek s LEU 221 N 0.25 4.22 0.17 8.50 1.43 -1.26 -1.13 118.68 130.86 3aek s LEU 221 Ca -0.03 1.09 0.24 0.00 -1.03 0.00 0.00 54.13 54.41 3aek s LEU 221 Cb -0.06 -3.09 0.34 0.00 0.03 0.00 0.00 46.19 43.41 3aek s LEU 221 CO -0.00 -0.26 1.36 0.00 0.23 0.00 0.00 176.35 177.68 3aek h ALA 222 N 7.15 0.66 -3.94 4.21 0.00 -1.20 -3.46 119.26 122.67 3aek h ALA 222 Ca -0.34 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.10 3aek h ALA 222 Cb 1.16 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.65 3aek h ALA 222 CO 0.79 0.00 -0.80 -0.65 0.00 0.00 0.00 179.25 178.58 3aek s GLN 223 N -3.20 1.15 0.55 0.00 -1.52 -1.25 -4.61 119.66 110.79 3aek s GLN 223 Ca 0.06 -0.42 0.34 0.00 -1.95 0.00 0.00 55.36 53.39 3aek s GLN 223 Cb 0.12 -1.07 1.36 0.00 -0.22 0.00 0.00 33.01 33.20 3aek s GLN 223 CO 0.71 0.19 1.98 -1.00 -0.25 0.00 0.00 175.29 176.93 3aek h PRO 224 N 6.18 0.00 -0.86 2.91 0.13 -1.90 -3.31 132.00 135.15 3aek h PRO 224 Ca -0.33 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.76 3aek h PRO 224 Cb 1.17 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 3aek h PRO 224 CO 0.49 0.00 0.05 1.97 -0.23 0.00 0.00 178.00 180.28 3aek n PHE 225 N -3.09 0.94 -1.57 1.56 -1.74 -1.26 -4.53 117.46 107.76 3aek n PHE 225 Ca 0.01 -0.45 -0.33 0.00 -0.56 0.00 0.00 57.45 56.12 3aek n PHE 225 Cb 0.31 -0.32 0.06 0.00 1.52 0.00 0.00 39.48 41.05 3aek n PHE 225 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 3aek n LEU 226 N 0.17 6.97 -0.10 5.98 4.77 -1.25 -4.57 117.00 128.97 3aek n LEU 226 Ca 0.14 -4.46 -0.09 0.00 -0.03 0.00 0.00 56.01 51.57 3aek n LEU 226 Cb 0.71 -0.82 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 3aek n LEU 226 CO 0.16 1.66 1.00 1.23 -1.33 0.00 0.00 177.39 180.11 3aek h GLY 227 N 2.13 0.49 2.00 -0.72 0.00 -1.93 -1.77 103.07 103.28 3aek h GLY 227 Ca 0.54 -0.19 -0.13 0.00 0.00 0.00 0.00 47.33 47.54 3aek h GLY 227 CO 1.37 0.19 -0.64 0.83 0.00 0.00 0.00 176.54 178.29 3aek h GLU 228 N 0.45 0.00 -0.15 4.80 4.39 -1.86 -2.55 114.58 119.66 3aek h GLU 228 Ca 0.12 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.73 3aek h GLU 228 Cb -0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 3aek h GLU 228 CO -0.02 0.64 -0.27 1.15 -1.16 0.00 0.00 179.01 179.34 3aek h THR 229 N 0.00 1.36 -0.29 1.13 2.02 -1.71 -2.48 112.91 112.93 3aek h THR 229 Ca -0.01 -1.51 0.06 0.00 0.77 0.00 0.00 66.41 65.72 3aek h THR 229 Cb 1.24 1.97 -0.08 0.00 -1.74 0.00 0.00 68.15 69.54 3aek h THR 229 CO 0.08 0.45 -0.45 0.74 0.37 0.00 0.00 175.52 176.72 3aek h THR 230 N 0.07 0.10 -0.59 3.16 2.02 -1.31 -0.71 112.91 115.65 3aek h THR 230 Ca 0.01 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.30 3aek h THR 230 Cb 0.85 0.10 -0.09 0.00 -1.74 0.00 0.00 68.15 67.28 3aek h THR 230 CO 0.06 0.00 0.11 1.23 0.37 0.00 0.00 175.52 177.29 3aek h GLY 231 N -0.41 0.73 1.13 2.16 0.00 -1.46 -0.21 103.07 105.01 3aek h GLY 231 Ca 0.10 -0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.36 3aek h GLY 231 CO -0.51 -0.12 0.16 0.00 0.00 0.00 0.00 176.54 176.07 3aek h ALA 232 N 1.48 1.00 -0.43 3.60 0.00 -1.09 -0.52 119.26 123.31 3aek h ALA 232 Ca 0.31 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3aek h ALA 232 Cb 0.46 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3aek h ALA 232 CO -0.41 0.65 -0.07 -0.07 0.00 0.00 0.00 179.25 179.35 3aek h LEU 233 N 1.03 0.80 -1.00 0.00 3.38 -0.67 -2.83 115.31 116.01 3aek h LEU 233 Ca 0.21 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3aek h LEU 233 Cb 0.36 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3aek h LEU 233 CO 0.00 0.95 0.32 -0.33 0.09 0.00 0.00 178.44 179.47 3aek h GLU 234 N 0.62 1.03 -0.02 1.13 5.08 -0.78 -1.32 114.58 120.33 3aek h GLU 234 Ca 0.11 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3aek h GLU 234 Cb 0.59 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 3aek h GLU 234 CO 0.04 0.81 0.02 0.00 -1.00 0.00 0.00 179.01 178.88 3aek h ARG 235 N 1.02 0.00 -0.01 2.33 3.08 -0.94 -0.97 114.38 118.90 3aek h ARG 235 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 3aek h ARG 235 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3aek h ARG 235 CO -0.03 0.00 -0.02 0.54 -1.07 0.00 0.00 179.97 179.39 3aek n ARG 236 N -4.13 1.51 -0.02 0.04 5.12 -0.77 -4.93 116.66 113.49 3aek n ARG 236 Ca -0.03 -0.80 0.00 0.00 -1.93 0.00 0.00 57.85 55.09 3aek n ARG 236 Cb 0.11 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 29.92 3aek n ARG 236 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3aek n GLY 237 N 1.17 0.39 3.77 -0.13 0.00 -0.37 -3.99 105.19 106.03 3aek n GLY 237 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 3aek n GLY 237 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3aek s ALA 238 N -2.04 3.00 -0.13 4.61 0.00 -0.57 -4.41 121.76 122.22 3aek s ALA 238 Ca 0.00 0.94 0.01 0.00 0.00 0.00 0.00 51.96 52.91 3aek s ALA 238 Cb 0.00 -3.38 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 3aek s ALA 238 CO 0.00 -0.64 -0.16 0.15 0.00 0.00 0.00 175.76 175.10 3aek s LYS 239 N -2.64 3.24 0.25 0.00 1.02 0.16 -4.00 119.74 117.77 3aek s LYS 239 Ca 0.63 -0.76 -0.30 0.00 0.02 0.00 0.00 55.97 55.56 3aek s LYS 239 Cb -0.29 -2.55 -0.09 0.00 -0.52 0.00 0.00 37.83 34.38 3aek s LYS 239 CO 0.35 0.13 0.98 0.50 -0.92 0.00 0.00 175.35 176.39 3aek s ARG 240 N 0.52 4.81 -0.38 1.68 3.52 -1.26 -1.45 118.95 126.39 3aek s ARG 240 Ca -0.11 1.56 -0.15 0.00 -0.13 0.00 0.00 55.73 56.90 3aek s ARG 240 Cb -0.16 -3.26 0.00 0.00 -1.56 0.00 0.00 34.95 29.97 3aek s ARG 240 CO 0.04 0.45 0.35 0.42 -0.81 0.00 0.00 175.30 175.75 3aek s ILE 241 N -1.16 5.19 0.27 4.11 1.01 0.85 -4.90 121.20 126.57 3aek s ILE 241 Ca 0.42 -0.26 -0.29 0.00 0.00 0.00 0.00 60.65 60.51 3aek s ILE 241 Cb -0.27 -3.89 -0.09 0.00 0.01 0.00 0.00 42.46 38.22 3aek s ILE 241 CO 0.34 -0.22 1.21 0.00 0.00 0.00 0.00 174.94 176.27 3aek s ALA 242 N 1.92 3.46 -0.19 9.38 0.00 -1.26 -4.55 121.76 130.53 3aek s ALA 242 Ca 0.09 1.05 -0.29 0.00 0.00 0.00 0.00 51.96 52.81 3aek s ALA 242 Cb -0.17 -3.41 0.13 0.00 0.00 0.00 0.00 23.12 19.66 3aek s ALA 242 CO 0.12 -0.40 1.01 0.00 0.00 0.00 0.00 175.76 176.48 3aek s ALA 243 N -0.78 -1.94 0.87 0.00 0.00 -1.26 -4.86 121.76 113.79 3aek s ALA 243 Ca 0.49 1.65 -0.11 0.00 0.00 0.00 0.00 51.96 53.99 3aek s ALA 243 Cb -0.35 -0.88 0.12 0.00 0.00 0.00 0.00 23.12 22.01 3aek s ALA 243 CO 0.43 -0.29 1.17 -2.14 0.00 0.00 0.00 175.76 174.93 3aek s PRO 244 N -0.80 1.25 0.30 0.00 0.02 -1.26 -4.81 135.00 129.70 3aek s PRO 244 Ca -0.01 1.63 -0.28 0.00 0.02 0.00 0.00 61.00 62.37 3aek s PRO 244 Cb -0.02 -1.75 -0.09 0.00 0.02 0.00 0.00 34.50 32.67 3aek s PRO 244 CO -0.00 -2.48 0.98 -0.06 -0.33 0.00 0.00 177.00 175.11 3aek s PHE 245 N -2.46 3.72 -1.15 6.54 0.08 -1.26 -4.40 117.98 119.04 3aek s PHE 245 Ca 0.69 1.80 -0.17 0.00 0.12 0.00 0.00 56.93 59.37 3aek s PHE 245 Cb -0.25 -3.02 -0.05 0.00 -0.57 0.00 0.00 43.02 39.13 3aek s PHE 245 CO 0.55 0.08 2.10 -0.35 -0.10 0.00 0.00 175.22 177.50 3aek n PRO 246 N 0.87 2.25 -4.48 0.24 -0.04 -1.26 -4.34 135.00 128.25 3aek n PRO 246 Ca 0.01 -2.26 -0.33 0.00 -0.04 0.00 0.00 63.50 60.88 3aek n PRO 246 Cb 0.48 -3.12 -0.15 0.00 -0.04 0.00 0.00 33.50 30.67 3aek n PRO 246 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3aek s PHE 247 N 3.99 2.80 0.07 0.54 0.40 -1.26 -1.10 117.98 123.42 3aek s PHE 247 Ca 0.52 -1.02 0.00 0.00 -0.60 0.00 0.00 56.93 55.83 3aek s PHE 247 Cb 0.14 -1.90 0.00 0.00 0.51 0.00 0.00 43.02 41.77 3aek s PHE 247 CO 0.00 -0.47 0.00 0.41 0.70 0.00 0.00 175.22 175.87 3aek n GLY 248 N 4.09 -2.14 0.18 4.36 0.00 -1.26 -2.91 105.19 107.51 3aek n GLY 248 Ca -0.19 -1.43 -0.10 0.00 0.00 0.00 0.00 46.02 44.30 3aek n GLY 248 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3aek h GLU 249 N 0.00 0.55 -0.09 1.61 4.22 -1.90 -2.29 114.58 116.67 3aek h GLU 249 Ca 0.01 -0.12 -0.06 0.00 0.08 0.00 0.00 59.36 59.27 3aek h GLU 249 Cb 0.27 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3aek h GLU 249 CO 0.00 0.58 -0.17 1.49 -2.18 0.00 0.00 179.01 178.73 3aek h GLU 250 N 0.41 0.27 -0.67 1.92 4.81 -1.98 -2.24 114.58 117.11 3aek h GLU 250 Ca 0.11 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3aek h GLU 250 Cb 0.27 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 3aek h GLU 250 CO -0.00 0.77 0.44 0.78 -0.73 0.00 0.00 179.01 180.26 3aek h GLY 251 N -0.19 0.94 0.86 1.92 0.00 -1.59 -0.97 103.07 104.03 3aek h GLY 251 Ca 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 3aek h GLY 251 CO 0.04 0.33 0.05 -0.84 0.00 0.00 0.00 176.54 176.12 3aek h THR 252 N 0.89 1.17 -0.34 4.70 2.02 -1.46 -1.75 112.91 118.14 3aek h THR 252 Ca 0.25 -0.53 0.03 0.00 0.77 0.00 0.00 66.41 66.93 3aek h THR 252 Cb -0.09 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 3aek h THR 252 CO -0.06 0.16 0.15 0.74 0.37 0.00 0.00 175.52 176.88 3aek h THR 253 N 0.08 0.95 0.00 3.16 2.02 -1.15 0.06 112.91 118.02 3aek h THR 253 Ca 0.05 -0.11 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 3aek h THR 253 Cb 0.20 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 3aek h THR 253 CO -0.00 0.06 -0.26 -0.07 0.37 0.00 0.00 175.52 175.61 3aek h LEU 254 N 0.31 0.00 0.03 2.58 4.07 -1.14 0.14 115.31 121.30 3aek h LEU 254 Ca 0.15 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.11 3aek h LEU 254 Cb 0.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.83 3aek h LEU 254 CO -0.12 0.26 -0.02 -0.25 -1.08 0.00 0.00 178.44 177.23 3aek h TRP 255 N 0.00 -0.04 -0.58 1.13 7.01 -0.78 -2.83 115.95 119.86 3aek h TRP 255 Ca -0.00 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 60.96 3aek h TRP 255 Cb 0.51 0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 27.56 3aek h TRP 255 CO 0.00 0.65 0.23 -0.07 -2.79 0.00 0.00 178.44 176.46 3aek h LEU 256 N -0.84 0.76 -0.99 0.65 3.38 -0.92 -2.78 115.31 114.58 3aek h LEU 256 Ca -0.00 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 3aek h LEU 256 Cb 0.71 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 3aek h LEU 256 CO 0.01 0.69 0.41 0.50 0.09 0.00 0.00 178.44 180.13 3aek h LYS 257 N 0.82 1.12 -0.64 1.13 1.63 -0.80 0.24 116.57 120.08 3aek h LYS 257 Ca 0.20 -0.14 -0.08 0.00 -0.85 0.00 0.00 60.65 59.77 3aek h LYS 257 Cb 0.17 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.56 3aek h LYS 257 CO -0.02 0.84 0.09 0.00 -3.45 0.00 0.00 179.45 176.92 3aek h ALA 258 N 1.33 0.85 -0.07 5.00 0.00 -1.23 0.54 119.26 125.67 3aek h ALA 258 Ca 0.28 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3aek h ALA 258 Cb 0.07 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3aek h ALA 258 CO -0.04 0.63 0.01 0.28 0.00 0.00 0.00 179.25 180.13 3aek h VAL 259 N 0.99 1.21 -0.34 0.00 2.07 -1.32 -2.06 116.25 116.80 3aek h VAL 259 Ca 0.19 -0.63 0.06 0.00 0.82 0.00 0.00 66.70 67.14 3aek h VAL 259 Cb 0.45 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 3aek h VAL 259 CO 0.02 0.18 0.03 0.00 0.02 0.00 0.00 177.57 177.81 3aek h ALA 260 N 0.79 0.32 -0.68 1.67 0.00 -0.77 -0.62 119.26 119.96 3aek h ALA 260 Ca 0.02 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3aek h ALA 260 Cb 0.27 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3aek h ALA 260 CO 0.00 -0.38 0.30 -0.44 0.00 0.00 0.00 179.25 178.73 3aek h ASP 261 N 0.13 0.90 0.14 0.00 3.32 -0.92 0.47 116.42 120.47 3aek h ASP 261 Ca 0.16 -0.11 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 3aek h ASP 261 Cb 0.21 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3aek h ASP 261 CO -0.25 0.79 -0.28 0.00 -1.72 0.00 0.00 179.24 177.78 3aek h ALA 262 N 1.35 1.30 -0.73 3.45 0.00 -0.64 -2.96 119.26 121.02 3aek h ALA 262 Ca 0.23 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3aek h ALA 262 Cb 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3aek h ALA 262 CO -0.02 0.48 0.00 0.66 0.00 0.00 0.00 179.25 180.36 3aek n TYR 263 N -4.14 1.05 -1.37 0.00 4.01 -0.31 -4.95 117.16 111.45 3aek n TYR 263 Ca -0.01 -0.50 -0.13 0.00 -0.16 0.00 0.00 57.90 57.10 3aek n TYR 263 Cb 0.38 -0.03 -0.05 0.00 -0.31 0.00 0.00 39.34 39.32 3aek n TYR 263 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3aek n GLY 264 N 1.60 1.35 3.73 2.72 0.00 -0.51 -4.97 105.19 109.11 3aek n GLY 264 Ca 0.25 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 3aek n GLY 264 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3aek n VAL 265 N -2.62 1.14 -1.58 1.61 0.31 0.04 -4.97 118.33 112.26 3aek n VAL 265 Ca -0.13 -0.28 -0.34 0.00 -0.01 0.00 0.00 64.34 63.58 3aek n VAL 265 Cb 0.42 -1.87 0.07 0.00 -0.91 0.00 0.00 33.84 31.56 3aek n VAL 265 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3aek s SER 266 N 0.37 4.56 0.28 4.52 1.04 -1.26 -4.67 113.70 118.54 3aek s SER 266 Ca 0.63 2.23 -0.01 0.00 0.48 0.00 0.00 55.95 59.29 3aek s SER 266 Cb -0.52 -2.58 0.39 0.00 0.10 0.00 0.00 66.02 63.41 3aek s SER 266 CO 0.51 -2.01 1.81 0.00 0.98 0.00 0.00 173.24 174.53 3aek h ALA 267 N -0.11 1.20 -0.46 5.32 0.00 -1.99 -1.77 119.26 121.44 3aek h ALA 267 Ca -0.47 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.16 3aek h ALA 267 Cb 1.28 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3aek h ALA 267 CO 0.51 0.54 0.07 0.93 0.00 0.00 0.00 179.25 181.31 3aek h GLU 268 N 0.78 0.77 -0.62 0.00 3.07 -1.99 -1.25 114.58 115.33 3aek h GLU 268 Ca 0.17 -0.21 -0.08 0.00 -0.50 0.00 0.00 59.36 58.75 3aek h GLU 268 Cb 0.33 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 3aek h GLU 268 CO 0.00 0.78 0.09 0.87 -1.40 0.00 0.00 179.01 179.36 3aek h LYS 269 N 0.63 1.03 -0.36 2.33 1.79 -1.90 -1.88 116.57 118.21 3aek h LYS 269 Ca 0.14 -0.28 -0.02 0.00 -2.18 0.00 0.00 60.65 58.31 3aek h LYS 269 Cb 0.39 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.91 3aek h LYS 269 CO 0.01 0.97 0.15 0.35 -1.08 0.00 0.00 179.45 179.84 3aek h PHE 270 N 0.94 0.54 -0.66 -1.35 3.04 -1.23 -2.52 116.94 115.70 3aek h PHE 270 Ca 0.19 -0.04 -0.05 0.00 3.98 0.00 0.00 57.97 62.04 3aek h PHE 270 Cb 0.44 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 38.76 3aek h PHE 270 CO 0.03 0.49 0.19 1.49 -2.02 0.00 0.00 178.31 178.49 3aek h GLU 271 N 0.43 1.01 -0.02 1.11 4.57 -1.12 -1.99 114.58 118.57 3aek h GLU 271 Ca 0.12 -0.21 -0.21 0.00 -1.18 0.00 0.00 59.36 57.88 3aek h GLU 271 Cb 0.17 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.61 3aek h GLU 271 CO -0.01 0.88 -0.87 0.00 -1.18 0.00 0.00 179.01 177.83 3aek h ALA 272 N 1.23 0.46 0.01 2.92 0.00 -1.28 -1.52 119.26 121.09 3aek h ALA 272 Ca 0.21 -0.68 -0.22 0.00 0.00 0.00 0.00 54.91 54.23 3aek h ALA 272 Cb 0.30 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3aek h ALA 272 CO -0.01 0.81 -0.94 0.28 0.00 0.00 0.00 179.25 179.40 3aek h VAL 273 N 0.23 1.45 0.00 0.00 2.07 -1.41 -3.37 116.25 115.22 3aek h VAL 273 Ca -0.06 -2.56 -0.02 0.00 0.82 0.00 0.00 66.70 64.88 3aek h VAL 273 Cb 1.48 2.48 -0.00 0.00 -1.52 0.00 0.00 31.29 33.72 3aek h VAL 273 CO 0.15 0.76 -1.42 1.07 0.02 0.00 0.00 177.57 178.14 3aek n THR 274 N -3.69 0.44 0.05 2.57 5.66 -0.75 -4.55 114.28 114.01 3aek n THR 274 Ca -0.06 -0.55 -0.11 0.00 -3.05 0.00 0.00 64.05 60.29 3aek n THR 274 Cb 0.84 -0.24 -0.04 0.00 -1.55 0.00 0.00 70.33 69.34 3aek n THR 274 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3aek h ALA 275 N 1.95 -0.22 0.04 1.79 0.00 -1.43 -1.69 119.26 119.69 3aek h ALA 275 Ca -0.02 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3aek h ALA 275 Cb 1.06 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3aek h ALA 275 CO 0.00 -0.68 -0.02 0.00 0.00 0.00 0.00 179.25 178.56 3aek h ALA 276 N 0.62 -0.06 0.00 0.00 0.00 -1.84 -2.54 119.26 115.45 3aek h ALA 276 Ca 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3aek h ALA 276 Cb 0.38 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3aek h ALA 276 CO -0.18 -0.31 -0.06 -1.35 0.00 0.00 0.00 179.25 177.34 3aek h PRO 277 N -0.50 0.00 -0.24 0.00 0.11 -1.81 -1.22 132.00 128.33 3aek h PRO 277 Ca -0.01 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 3aek h PRO 277 Cb 0.46 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 3aek h PRO 277 CO 0.01 0.06 0.01 0.00 -0.21 0.00 0.00 178.00 177.87 3aek h ARG 278 N 0.00 0.42 -0.69 1.05 3.08 -1.25 -1.65 114.38 115.34 3aek h ARG 278 Ca -0.00 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 59.85 3aek h ARG 278 Cb 0.11 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 3aek h ARG 278 CO 0.01 0.58 0.16 0.00 -1.07 0.00 0.00 179.97 179.64 3aek h ALA 279 N 0.82 0.92 -0.45 0.04 0.00 -1.00 -1.95 119.26 117.63 3aek h ALA 279 Ca 0.07 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 3aek h ALA 279 Cb 0.38 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3aek h ALA 279 CO 0.01 0.65 -0.05 -0.09 0.00 0.00 0.00 179.25 179.77 3aek h ARG 280 N 1.05 0.77 0.05 0.00 2.43 -1.20 -1.89 114.38 115.59 3aek h ARG 280 Ca 0.22 -0.22 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3aek h ARG 280 Cb 0.39 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 3aek h ARG 280 CO 0.01 0.81 -0.03 0.00 -1.51 0.00 0.00 179.97 179.25 3aek h ALA 281 N 1.24 -0.07 -0.69 2.80 0.00 -1.11 -1.44 119.26 119.98 3aek h ALA 281 Ca 0.13 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.94 3aek h ALA 281 Cb 0.50 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 3aek h ALA 281 CO 0.03 -0.37 0.45 -0.22 0.00 0.00 0.00 179.25 179.14 3aek h LYS 282 N -0.41 0.66 -0.12 0.00 3.64 -1.30 -0.70 116.57 118.34 3aek h LYS 282 Ca -0.01 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 3aek h LYS 282 Cb 0.37 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3aek h LYS 282 CO 0.01 0.44 -0.11 -0.22 -2.27 0.00 0.00 179.45 177.30 3aek h LYS 283 N 0.68 0.29 -0.91 1.90 3.64 -1.29 -1.88 116.57 119.00 3aek h LYS 283 Ca 0.30 -0.15 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 3aek h LYS 283 Cb 0.30 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.07 3aek h LYS 283 CO -0.10 0.69 0.59 0.00 -2.27 0.00 0.00 179.45 178.36 3aek h ALA 284 N 0.60 1.20 -0.56 5.00 0.00 -0.71 -2.66 119.26 122.13 3aek h ALA 284 Ca 0.02 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3aek h ALA 284 Cb 0.63 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3aek h ALA 284 CO 0.03 0.46 0.02 0.82 0.00 0.00 0.00 179.25 180.58 3aek h ILE 285 N 1.15 1.26 -0.74 0.00 2.04 -1.13 -3.20 117.51 116.89 3aek h ILE 285 Ca 0.36 -1.09 0.20 0.00 1.00 0.00 0.00 64.86 65.34 3aek h ILE 285 Cb -0.00 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 3aek h ILE 285 CO -0.12 0.39 0.52 0.00 0.00 0.00 0.00 178.15 178.95 3aek h ALA 286 N 0.97 2.58 0.00 1.87 0.00 -0.96 0.48 119.26 124.21 3aek h ALA 286 Ca 0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3aek h ALA 286 Cb 0.51 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3aek h ALA 286 CO 0.02 -0.79 -0.02 0.00 0.00 0.00 0.00 179.25 178.46 3aek h ALA 287 N 1.64 1.08 -0.04 0.00 0.00 -1.57 -2.68 119.26 117.70 3aek h ALA 287 Ca 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3aek h ALA 287 Cb 1.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3aek h ALA 287 CO -0.03 0.02 0.00 0.72 0.00 0.00 0.00 179.25 179.96 3aek n HIS 288 N -3.22 0.02 -0.02 0.00 8.25 0.16 -4.66 115.22 115.75 3aek n HIS 288 Ca -0.02 -0.01 -0.06 0.00 -0.26 0.00 0.00 57.72 57.37 3aek n HIS 288 Cb 0.16 -0.00 0.13 0.00 1.12 0.00 0.00 29.99 31.40 3aek n HIS 288 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3aek h LEU 289 N 3.32 0.61 -0.55 2.41 3.38 -1.46 -2.97 115.31 120.04 3aek h LEU 289 Ca 0.00 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 3aek h LEU 289 Cb 0.71 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 3aek h LEU 289 CO 0.00 0.88 0.33 -0.08 0.09 0.00 0.00 178.44 179.66 3aek h GLU 290 N 0.50 0.75 0.02 1.13 4.81 -1.83 -0.29 114.58 119.68 3aek h GLU 290 Ca 0.06 -0.07 -0.21 0.00 -0.13 0.00 0.00 59.36 59.01 3aek h GLU 290 Cb 0.79 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 3aek h GLU 290 CO 0.06 0.55 -0.95 1.79 -0.73 0.00 0.00 179.01 179.73 3aek h THR 291 N 0.74 1.56 0.06 0.32 1.35 -1.91 -3.37 112.91 111.67 3aek h THR 291 Ca 0.20 -2.90 -0.29 0.00 -0.55 0.00 0.00 66.41 62.87 3aek h THR 291 Cb -0.01 2.64 -0.02 0.00 -1.73 0.00 0.00 68.15 69.02 3aek h THR 291 CO -0.04 0.84 -1.54 -0.07 -0.25 0.00 0.00 175.52 174.46 3aek h LEU 292 N 0.06 0.21 -9.55 3.87 4.07 -1.37 -3.45 115.31 109.15 3aek h LEU 292 Ca -0.05 -0.33 -0.53 0.00 0.08 0.00 0.00 57.88 57.06 3aek h LEU 292 Cb 1.63 -0.07 0.04 0.00 1.08 0.00 0.00 40.66 43.34 3aek h LEU 292 CO 0.14 1.28 0.92 -0.89 -1.08 0.00 0.00 178.44 178.81 3aek s THR 293 N -2.62 2.76 0.00 0.22 2.01 -0.13 -2.44 115.64 115.43 3aek s THR 293 Ca -0.07 0.45 0.00 0.00 0.31 0.00 0.00 61.69 62.38 3aek s THR 293 Cb 0.08 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 69.30 3aek s THR 293 CO 0.83 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 175.39 3aek n GLY 294 N 3.84 0.84 3.77 4.40 0.00 0.05 -4.95 105.19 113.13 3aek n GLY 294 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 3aek n GLY 294 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3aek s LYS 295 N -0.32 4.40 0.23 1.61 -0.14 -1.02 -4.68 119.74 119.81 3aek s LYS 295 Ca 0.00 0.92 -0.30 0.00 -1.36 0.00 0.00 55.97 55.23 3aek s LYS 295 Cb 0.00 -3.32 -0.09 0.00 -1.68 0.00 0.00 37.83 32.75 3aek s LYS 295 CO 0.00 0.42 1.02 -1.54 -0.76 0.00 0.00 175.35 174.49 3aek s SER 296 N -0.46 7.44 -0.06 2.83 1.04 -1.26 -0.42 113.70 122.81 3aek s SER 296 Ca 0.34 2.06 0.06 0.00 0.48 0.00 0.00 55.95 58.89 3aek s SER 296 Cb -0.20 -2.61 -0.01 0.00 0.10 0.00 0.00 66.02 63.30 3aek s SER 296 CO 0.21 -0.03 -0.25 -0.22 0.98 0.00 0.00 173.24 173.93 3aek s LEU 297 N -0.98 2.07 -0.04 2.42 2.96 0.29 -1.27 118.68 124.13 3aek s LEU 297 Ca 0.44 -0.51 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 3aek s LEU 297 Cb -0.28 -1.37 0.01 0.00 0.50 0.00 0.00 46.19 45.05 3aek s LEU 297 CO 0.35 0.24 -0.08 0.12 -1.32 0.00 0.00 176.35 175.66 3aek s PHE 298 N -0.15 1.00 -0.13 5.38 5.36 -0.46 -0.46 117.98 128.52 3aek s PHE 298 Ca -0.04 -0.29 0.01 0.00 -0.96 0.00 0.00 56.93 55.65 3aek s PHE 298 Cb -0.14 -0.75 0.02 0.00 -0.34 0.00 0.00 43.02 41.81 3aek s PHE 298 CO 0.04 -0.16 -0.14 -1.64 -1.46 0.00 0.00 175.22 171.86 3aek s MET 299 N 0.49 2.20 0.53 10.12 -1.94 -0.42 -0.38 119.30 129.89 3aek s MET 299 Ca -0.08 -0.53 -0.17 0.00 -1.71 0.00 0.00 55.69 53.20 3aek s MET 299 Cb -0.12 -1.99 -0.07 0.00 2.01 0.00 0.00 34.83 34.67 3aek s MET 299 CO 0.01 -0.18 1.01 -0.06 -0.01 0.00 0.00 175.02 175.79 3aek s PHE 300 N 1.34 3.23 0.09 -0.03 0.08 0.45 -1.38 117.98 121.75 3aek s PHE 300 Ca 0.01 1.51 -0.30 0.00 0.12 0.00 0.00 56.93 58.27 3aek s PHE 300 Cb -0.13 -2.90 -0.06 0.00 -0.57 0.00 0.00 43.02 39.36 3aek s PHE 300 CO -0.07 -0.66 1.07 -1.25 -0.10 0.00 0.00 175.22 174.20 3aek s PRO 301 N -3.90 4.57 0.00 0.24 0.04 -1.23 -4.71 135.00 130.01 3aek s PRO 301 Ca 0.62 1.60 0.00 0.00 0.04 0.00 0.00 61.00 63.26 3aek s PRO 301 Cb -0.13 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.05 3aek s PRO 301 CO 0.30 -0.01 0.00 -0.25 0.04 0.00 0.00 177.00 177.08 3aek n ASP 302 N 3.24 0.00 0.00 6.66 8.00 -1.26 -4.80 116.55 128.38 3aek n ASP 302 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.55 3aek n ASP 302 Cb 0.48 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 3aek n ASP 302 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3aek n SER 303 N -2.37 0.05 0.00 -2.24 3.41 -1.26 -4.57 113.62 106.63 3aek n SER 303 Ca 0.00 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 3aek n SER 303 Cb 0.00 0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 3aek n SER 303 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3aek n GLN 304 N -0.26 -0.07 0.00 4.33 6.02 -1.26 -4.67 117.38 121.47 3aek n GLN 304 Ca 0.00 0.02 0.14 0.00 -0.01 0.00 0.00 57.00 57.15 3aek n GLN 304 Cb 0.00 -2.91 0.68 0.00 1.02 0.00 0.00 30.24 29.04 3aek n GLN 304 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3aek n LEU 305 N 0.00 0.06 0.12 1.08 4.77 -1.26 -4.42 117.00 117.35 3aek n LEU 305 Ca 0.00 0.31 -0.13 0.00 -0.03 0.00 0.00 56.01 56.16 3aek n LEU 305 Cb 0.02 -0.34 -0.07 0.00 -2.33 0.00 0.00 43.42 40.69 3aek n LEU 305 CO 0.00 0.01 0.82 -0.33 -1.33 0.00 0.00 177.39 176.56 3aek h GLU 306 N 0.06 -0.21 0.45 3.23 3.07 -1.90 -1.08 114.58 118.19 3aek h GLU 306 Ca 0.00 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.85 3aek h GLU 306 Cb 0.37 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 3aek h GLU 306 CO 0.00 -0.14 -0.22 0.82 -1.40 0.00 0.00 179.01 178.07 3aek h ILE 307 N -0.22 0.56 -0.93 3.13 2.04 -1.90 0.23 117.51 120.42 3aek h ILE 307 Ca -0.02 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 65.82 3aek h ILE 307 Cb 0.17 0.60 -0.06 0.00 -0.74 0.00 0.00 36.82 36.79 3aek h ILE 307 CO 0.03 0.01 0.61 -0.65 0.00 0.00 0.00 178.15 178.15 3aek h PRO 308 N -0.64 1.06 -0.24 2.37 0.11 -1.83 -0.34 132.00 132.49 3aek h PRO 308 Ca -0.06 -0.06 -0.19 0.00 0.11 0.00 0.00 66.00 65.80 3aek h PRO 308 Cb 0.48 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.36 3aek h PRO 308 CO 0.10 0.70 -0.59 -0.07 -0.21 0.00 0.00 178.00 177.93 3aek h LEU 309 N 1.09 0.87 -0.64 2.35 3.38 -1.05 -1.55 115.31 119.76 3aek h LEU 309 Ca 0.39 -0.49 0.03 0.00 0.09 0.00 0.00 57.88 57.91 3aek h LEU 309 Cb 0.15 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3aek h LEU 309 CO -0.14 1.26 0.39 0.00 0.09 0.00 0.00 178.44 180.04 3aek h ALA 310 N 0.75 0.84 -0.26 1.53 0.00 -0.24 -0.88 119.26 120.99 3aek h ALA 310 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3aek h ALA 310 Cb 1.19 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3aek h ALA 310 CO 0.12 0.12 0.16 -0.09 0.00 0.00 0.00 179.25 179.56 3aek h ARG 311 N 0.75 0.32 -0.29 0.00 1.12 -0.95 -1.10 114.38 114.23 3aek h ARG 311 Ca 0.26 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 59.12 3aek h ARG 311 Cb 0.05 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 29.93 3aek h ARG 311 CO -0.12 0.21 0.19 0.35 -3.11 0.00 0.00 179.97 177.49 3aek h PHE 312 N 0.33 0.37 -0.24 2.20 3.57 -1.08 -2.00 116.94 120.09 3aek h PHE 312 Ca 0.10 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.51 3aek h PHE 312 Cb -0.01 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 3aek h PHE 312 CO -0.07 0.24 -0.27 -0.07 -2.23 0.00 0.00 178.31 175.91 3aek h LEU 313 N 0.39 0.47 0.01 0.59 3.38 -0.94 -0.18 115.31 119.02 3aek h LEU 313 Ca 0.11 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3aek h LEU 313 Cb -0.03 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3aek h LEU 313 CO -0.02 0.73 -0.00 0.00 0.09 0.00 0.00 178.44 179.23 3aek h ALA 314 N 1.31 -0.01 0.08 1.53 0.00 -1.17 -0.57 119.26 120.43 3aek h ALA 314 Ca 0.06 -0.35 -0.26 0.00 0.00 0.00 0.00 54.91 54.35 3aek h ALA 314 Cb 0.68 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.49 3aek h ALA 314 CO 0.05 -0.15 -1.13 0.00 0.00 0.00 0.00 179.25 178.02 3aek h ARG 315 N -0.73 0.40 0.00 0.00 3.08 -1.36 -2.67 114.38 113.10 3aek h ARG 315 Ca -0.00 -0.54 -0.14 0.00 0.07 0.00 0.00 59.98 59.37 3aek h ARG 315 Cb 0.71 0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.91 3aek h ARG 315 CO 0.00 1.21 -1.90 0.39 -1.07 0.00 0.00 179.97 178.61 3aek n GLU 316 N -3.67 1.02 -0.10 0.04 1.02 -0.08 -4.58 120.64 114.28 3aek n GLU 316 Ca -0.09 -0.08 0.04 0.00 -0.02 0.00 0.00 57.16 57.01 3aek n GLU 316 Cb 0.94 -1.39 0.09 0.00 -0.02 0.00 0.00 31.44 31.07 3aek n GLU 316 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3aek n GLY 318 N 0.27 0.89 3.80 0.00 0.00 -0.95 -3.01 105.19 106.18 3aek n GLY 318 Ca 0.07 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 3aek n GLY 318 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3aek s MET 319 N -2.38 3.78 -0.22 1.61 -1.94 -0.26 -0.77 119.30 119.12 3aek s MET 319 Ca 0.00 1.36 -0.13 0.00 -1.71 0.00 0.00 55.69 55.20 3aek s MET 319 Cb 0.00 -2.09 -0.04 0.00 2.01 0.00 0.00 34.83 34.70 3aek s MET 319 CO 0.00 -0.45 0.29 0.15 -0.01 0.00 0.00 175.02 175.00 3aek s LYS 320 N -3.26 4.14 0.34 2.03 1.02 0.44 -4.15 119.74 120.30 3aek s LYS 320 Ca 0.67 -0.00 -0.23 0.00 0.02 0.00 0.00 55.97 56.43 3aek s LYS 320 Cb -0.16 -3.53 -0.10 0.00 -0.52 0.00 0.00 37.83 33.52 3aek s LYS 320 CO 0.20 0.02 0.91 0.95 -0.92 0.00 0.00 175.35 176.51 3aek s THR 321 N 1.15 4.33 0.00 2.17 -4.23 -1.26 0.11 115.64 117.91 3aek s THR 321 Ca 0.14 1.61 0.00 0.00 -1.18 0.00 0.00 61.69 62.26 3aek s THR 321 Cb -0.14 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 69.85 3aek s THR 321 CO 0.06 -0.00 0.00 0.35 -0.54 0.00 0.00 174.62 174.49 3aek n THR 322 N 0.18 0.00 -3.92 3.99 -2.24 0.39 -4.71 114.28 107.97 3aek n THR 322 Ca 0.03 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.46 3aek n THR 322 Cb 0.51 -0.02 -0.10 0.00 -2.10 0.00 0.00 70.33 68.63 3aek n THR 322 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3aek s GLU 323 N 0.69 3.97 -0.29 -0.78 2.12 -1.26 -1.23 118.70 121.93 3aek s GLU 323 Ca 0.00 -0.34 0.00 0.00 0.36 0.00 0.00 54.97 54.99 3aek s GLU 323 Cb 0.00 -3.28 0.06 0.00 0.26 0.00 0.00 34.13 31.16 3aek s GLU 323 CO 0.00 0.20 -0.03 0.42 -0.54 0.00 0.00 175.26 175.30 3aek s ILE 324 N 0.59 2.67 -0.05 -3.70 -1.09 -0.47 -1.30 121.20 117.85 3aek s ILE 324 Ca 0.04 -1.52 -0.01 0.00 -2.23 0.00 0.00 60.65 56.93 3aek s ILE 324 Cb -0.13 -2.57 -0.03 0.00 -1.58 0.00 0.00 42.46 38.15 3aek s ILE 324 CO 0.01 -0.11 0.02 0.00 -1.23 0.00 0.00 174.94 173.63 3aek s ALA 325 N 1.18 3.34 0.03 9.38 0.00 -0.48 -2.59 121.76 132.63 3aek s ALA 325 Ca -0.06 -0.85 0.05 0.00 0.00 0.00 0.00 51.96 51.10 3aek s ALA 325 Cb -0.20 -1.47 -0.02 0.00 0.00 0.00 0.00 23.12 21.43 3aek s ALA 325 CO -0.03 0.62 -0.14 -0.08 0.00 0.00 0.00 175.76 176.13 3aek s THR 326 N -0.98 1.07 0.39 0.00 -1.32 -0.34 -3.56 115.64 110.89 3aek s THR 326 Ca 0.16 -0.95 0.09 0.00 -1.21 0.00 0.00 61.69 59.78 3aek s THR 326 Cb -0.11 -0.97 0.18 0.00 -1.51 0.00 0.00 72.50 70.09 3aek s THR 326 CO 0.06 0.01 1.94 -0.65 -2.21 0.00 0.00 174.62 173.78 3aek h PRO 327 N 5.00 0.31 -2.38 7.08 0.11 -1.87 0.11 132.00 140.37 3aek h PRO 327 Ca -0.37 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.60 3aek h PRO 327 Cb 1.18 -0.05 -0.23 0.00 0.11 0.00 0.00 31.00 32.01 3aek h PRO 327 CO 0.44 0.38 -0.09 0.12 -0.21 0.00 0.00 178.00 178.64 3aek s PHE 328 N -4.90 -0.68 -0.32 0.65 5.36 -1.26 -3.86 117.98 112.97 3aek s PHE 328 Ca -0.06 1.55 0.03 0.00 -0.96 0.00 0.00 56.93 57.49 3aek s PHE 328 Cb 0.16 0.28 0.09 0.00 -0.34 0.00 0.00 43.02 43.21 3aek s PHE 328 CO 0.73 -0.34 0.04 -1.17 -1.46 0.00 0.00 175.22 173.02 3aek s LEU 329 N 0.67 4.19 -0.52 6.12 0.20 -1.26 -4.81 118.68 123.27 3aek s LEU 329 Ca -0.03 -1.97 -0.28 0.00 0.69 0.00 0.00 54.13 52.54 3aek s LEU 329 Cb -0.05 -1.50 0.02 0.00 -0.43 0.00 0.00 46.19 44.23 3aek s LEU 329 CO -0.04 -0.36 1.34 -2.28 -0.29 0.00 0.00 176.35 174.72 3aek s HIS 330 N 1.04 2.44 0.12 5.38 5.65 -1.26 -4.94 115.29 123.72 3aek s HIS 330 Ca 0.08 0.54 -0.25 0.00 0.25 0.00 0.00 55.06 55.68 3aek s HIS 330 Cb -0.19 -4.40 -0.05 0.00 -1.18 0.00 0.00 32.58 26.76 3aek s HIS 330 CO -0.10 -1.82 1.64 0.87 -0.65 0.00 0.00 174.74 174.69 3aek h LYS 331 N 10.48 -0.34 -0.53 2.88 1.79 -1.97 -0.74 116.57 128.13 3aek h LYS 331 Ca -0.26 0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 58.16 3aek h LYS 331 Cb 1.08 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.79 3aek h LYS 331 CO 1.15 -0.23 0.05 0.00 -1.08 0.00 0.00 179.45 179.35 3aek h ALA 332 N 0.52 0.70 -0.28 3.86 0.00 -2.01 -1.79 119.26 120.27 3aek h ALA 332 Ca 0.07 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 3aek h ALA 332 Cb 0.44 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3aek h ALA 332 CO -0.22 0.47 -0.30 0.82 0.00 0.00 0.00 179.25 180.03 3aek h ILE 333 N 0.77 1.28 -0.00 0.00 2.04 -1.94 -3.11 117.51 116.55 3aek h ILE 333 Ca 0.16 -1.38 0.00 0.00 1.00 0.00 0.00 64.86 64.63 3aek h ILE 333 Cb 0.45 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.92 3aek h ILE 333 CO 0.02 0.44 -0.22 0.23 0.00 0.00 0.00 178.15 178.62 3aek n MET 334 N -4.09 0.63 -0.06 2.37 2.81 -0.30 -4.46 117.12 114.02 3aek n MET 334 Ca -0.01 -0.30 -0.09 0.00 -1.81 0.00 0.00 57.70 55.49 3aek n MET 334 Cb 0.45 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.43 3aek n MET 334 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3aek h ALA 335 N 3.53 -0.32 -0.79 3.04 0.00 -1.25 -0.44 119.26 123.03 3aek h ALA 335 Ca 0.00 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.04 3aek h ALA 335 Cb 0.45 0.70 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 3aek h ALA 335 CO 0.00 -0.79 0.52 -1.35 0.00 0.00 0.00 179.25 177.63 3aek h PRO 336 N -0.34 0.79 -0.03 0.00 0.11 -1.82 -1.25 132.00 129.46 3aek h PRO 336 Ca 0.13 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 66.02 3aek h PRO 336 Cb 0.55 -0.18 0.01 0.00 0.11 0.00 0.00 31.00 31.50 3aek h PRO 336 CO -0.46 0.52 -0.68 -0.44 -0.21 0.00 0.00 178.00 176.73 3aek h ASP 337 N 0.81 0.64 -0.89 -2.05 3.45 -1.77 -3.24 116.42 113.36 3aek h ASP 337 Ca 0.35 -0.73 0.09 0.00 0.43 0.00 0.00 57.03 57.17 3aek h ASP 337 Cb 0.31 -0.19 -0.06 0.00 -0.56 0.00 0.00 39.33 38.82 3aek h ASP 337 CO -0.13 1.28 0.58 -0.07 -1.57 0.00 0.00 179.24 179.33 3aek h LEU 338 N 0.07 0.82 -2.13 1.55 3.38 -0.68 -0.90 115.31 117.42 3aek h LEU 338 Ca -0.08 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3aek h LEU 338 Cb 1.36 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 3aek h LEU 338 CO 0.13 0.49 -0.05 0.00 0.09 0.00 0.00 178.44 179.10 3aek h ALA 339 N 1.55 1.15 0.00 1.53 0.00 -1.28 0.52 119.26 122.73 3aek h ALA 339 Ca 0.41 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 3aek h ALA 339 Cb 0.37 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3aek h ALA 339 CO -0.17 0.07 -1.93 1.28 0.00 0.00 0.00 179.25 178.50 3aek n LEU 340 N -3.36 0.10 -4.74 0.00 4.77 -0.46 -3.14 117.00 110.16 3aek n LEU 340 Ca -0.02 0.04 -0.41 0.00 -0.03 0.00 0.00 56.01 55.59 3aek n LEU 340 Cb 0.20 0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 3aek n LEU 340 CO 0.26 0.03 1.16 -0.22 -1.33 0.00 0.00 177.39 177.30 3aek s LEU 341 N -4.71 4.37 0.35 2.23 0.20 -0.49 -4.44 118.68 116.20 3aek s LEU 341 Ca -0.07 2.77 -0.28 0.00 0.69 0.00 0.00 54.13 57.23 3aek s LEU 341 Cb 0.13 -3.63 -0.12 0.00 -0.43 0.00 0.00 46.19 42.14 3aek s LEU 341 CO 0.89 -0.79 1.39 -2.65 -0.29 0.00 0.00 176.35 174.90 3aek n PRO 342 N 2.38 2.39 0.12 0.98 -0.02 -1.26 -0.21 135.00 139.38 3aek n PRO 342 Ca 0.08 0.84 0.18 0.00 -2.02 0.00 0.00 63.50 62.58 3aek n PRO 342 Cb 0.39 -2.49 0.76 0.00 -0.02 0.00 0.00 33.50 32.14 3aek n PRO 342 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3aek h SER 343 N 2.87 0.00 0.98 2.55 0.02 -1.63 -2.39 113.55 115.95 3aek h SER 343 Ca -0.48 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.42 3aek h SER 343 Cb 1.26 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 3aek h SER 343 CO 0.64 0.00 -0.23 -0.55 -1.14 0.00 0.00 176.83 175.56 3aek h ASN 344 N 0.00 0.00 -1.92 3.07 -1.07 -1.90 -3.47 115.58 110.29 3aek h ASN 344 Ca 0.15 0.00 -0.65 0.00 0.07 0.00 0.00 56.30 55.88 3aek h ASN 344 Cb 0.75 0.00 0.04 0.00 -2.07 0.00 0.00 38.32 37.04 3aek h ASN 344 CO -0.00 0.23 0.79 0.41 0.07 0.00 0.00 177.43 178.93 3aek n THR 345 N -3.37 0.19 -2.96 6.14 -1.04 -0.90 -4.94 114.28 107.40 3aek n THR 345 Ca 0.00 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.05 61.56 3aek n THR 345 Cb 0.44 -1.36 -0.05 0.00 -1.82 0.00 0.00 70.33 67.55 3aek n THR 345 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3aek s ALA 346 N 2.01 3.47 -0.10 2.41 0.00 -0.37 -4.99 121.76 124.19 3aek s ALA 346 Ca 0.87 -0.58 -0.11 0.00 0.00 0.00 0.00 51.96 52.14 3aek s ALA 346 Cb -0.83 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 18.92 3aek s ALA 346 CO 0.49 -1.36 0.25 -0.51 0.00 0.00 0.00 175.76 174.63 3aek s LEU 347 N 3.02 4.37 -0.05 0.00 1.43 -1.26 -1.37 118.68 124.82 3aek s LEU 347 Ca 0.31 0.61 0.03 0.00 -1.03 0.00 0.00 54.13 54.04 3aek s LEU 347 Cb -0.14 -2.29 0.01 0.00 0.03 0.00 0.00 46.19 43.80 3aek s LEU 347 CO 0.15 0.30 -0.12 -0.89 0.23 0.00 0.00 176.35 176.02 3aek s THR 348 N -0.62 1.06 -0.18 5.49 2.01 -1.07 -0.50 115.64 121.83 3aek s THR 348 Ca 0.17 -0.47 -0.03 0.00 0.31 0.00 0.00 61.69 61.67 3aek s THR 348 Cb -0.14 -0.96 -0.02 0.00 0.01 0.00 0.00 72.50 71.40 3aek s THR 348 CO 0.06 0.33 -0.06 -0.70 -0.69 0.00 0.00 174.62 173.57 3aek s GLU 349 N 0.46 3.49 1.04 4.92 2.12 0.15 -1.20 118.70 129.67 3aek s GLU 349 Ca -0.10 -0.60 0.00 0.00 0.36 0.00 0.00 54.97 54.64 3aek s GLU 349 Cb -0.13 -2.90 0.00 0.00 0.26 0.00 0.00 34.13 31.35 3aek s GLU 349 CO 0.02 0.05 0.00 0.41 -0.54 0.00 0.00 175.26 175.20 3aek n GLY 350 N 4.07 0.04 3.65 -1.50 0.00 0.03 -0.43 105.19 111.04 3aek n GLY 350 Ca -0.18 -1.56 0.01 0.00 0.00 0.00 0.00 46.02 44.30 3aek n GLY 350 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3aek s GLN 351 N 0.00 0.10 -0.38 1.61 0.74 0.13 -4.65 119.66 117.21 3aek s GLN 351 Ca 0.00 0.17 0.02 0.00 0.05 0.00 0.00 55.36 55.60 3aek s GLN 351 Cb 0.00 0.02 0.11 0.00 1.10 0.00 0.00 33.01 34.24 3aek s GLN 351 CO 0.00 -0.02 0.12 0.34 -0.55 0.00 0.00 175.29 175.18 3aek s ASP 352 N 1.00 4.91 0.13 6.67 2.15 -1.26 -2.77 116.67 127.50 3aek s ASP 352 Ca -0.07 -2.19 -0.30 0.00 0.43 0.00 0.00 52.55 50.42 3aek s ASP 352 Cb -0.03 -1.70 -0.07 0.00 -0.30 0.00 0.00 42.92 40.82 3aek s ASP 352 CO -0.11 -0.42 1.58 0.25 -0.17 0.00 0.00 175.17 176.30 3aek h LEU 353 N 7.67 -1.36 -1.00 -1.34 5.85 -0.73 0.18 115.31 124.58 3aek h LEU 353 Ca -0.07 0.17 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 3aek h LEU 353 Cb 1.02 0.54 -0.02 0.00 0.37 0.00 0.00 40.66 42.57 3aek h LEU 353 CO 0.59 -0.45 0.00 -0.33 -0.34 0.00 0.00 178.44 177.91 3aek h GLU 354 N -0.54 0.72 -0.22 1.25 4.39 -1.97 0.25 114.58 118.46 3aek h GLU 354 Ca 0.06 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.54 3aek h GLU 354 Cb 0.65 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 3aek h GLU 354 CO -0.37 0.73 0.02 0.00 -1.16 0.00 0.00 179.01 178.23 3aek h ALA 355 N 1.32 0.29 -0.80 3.43 0.00 -1.79 -1.33 119.26 120.39 3aek h ALA 355 Ca 0.14 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3aek h ALA 355 Cb 0.42 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3aek h ALA 355 CO 0.02 -0.00 0.35 0.37 0.00 0.00 0.00 179.25 179.99 3aek h GLN 356 N 0.16 1.17 -0.31 0.00 4.15 -0.31 -1.23 115.11 118.73 3aek h GLN 356 Ca 0.06 -0.19 -0.06 0.00 0.77 0.00 0.00 58.65 59.24 3aek h GLN 356 Cb 0.37 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 3aek h GLN 356 CO 0.01 0.92 -0.05 -0.07 -1.93 0.00 0.00 178.83 177.71 3aek h LEU 357 N 1.14 0.47 -0.27 -2.39 3.38 -0.46 0.78 115.31 117.96 3aek h LEU 357 Ca 0.27 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 3aek h LEU 357 Cb 0.17 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3aek h LEU 357 CO -0.03 0.58 -0.04 0.44 0.09 0.00 0.00 178.44 179.48 3aek h ASP 358 N 0.47 0.50 -0.90 -0.43 3.32 -0.83 -1.90 116.42 116.66 3aek h ASP 358 Ca 0.10 -0.34 0.02 0.00 0.02 0.00 0.00 57.03 56.83 3aek h ASP 358 Cb 0.39 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.75 3aek h ASP 358 CO 0.02 0.72 0.59 0.03 -1.72 0.00 0.00 179.24 178.88 3aek h ARG 359 N 0.26 1.14 -0.08 3.56 3.08 -1.01 -2.15 114.38 119.19 3aek h ARG 359 Ca 0.07 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.08 3aek h ARG 359 Cb 0.49 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 3aek h ARG 359 CO 0.02 0.75 -0.10 1.25 -1.07 0.00 0.00 179.97 180.83 3aek h HIS 360 N 1.17 -0.24 -0.72 3.04 2.76 -0.66 -1.37 115.15 119.13 3aek h HIS 360 Ca 0.34 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.51 3aek h HIS 360 Cb -0.07 0.12 -0.03 0.00 1.55 0.00 0.00 27.41 28.97 3aek h HIS 360 CO -0.01 -0.15 0.39 1.49 -1.30 0.00 0.00 177.93 178.35 3aek h GLU 361 N -0.13 1.00 -0.49 5.26 4.81 -1.18 -0.97 114.58 122.88 3aek h GLU 361 Ca 0.06 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 59.09 3aek h GLU 361 Cb 0.22 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3aek h GLU 361 CO -0.16 0.74 -0.09 0.00 -0.73 0.00 0.00 179.01 178.77 3aek h ALA 362 N 1.42 0.92 -0.38 2.92 0.00 -1.10 -3.06 119.26 119.98 3aek h ALA 362 Ca 0.26 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 3aek h ALA 362 Cb 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3aek h ALA 362 CO -0.04 0.63 -0.34 0.82 0.00 0.00 0.00 179.25 180.32 3aek h ILE 363 N 0.80 1.28 -5.81 0.00 2.04 -0.86 -3.48 117.51 111.47 3aek h ILE 363 Ca 0.13 -1.51 -0.34 0.00 1.00 0.00 0.00 64.86 64.14 3aek h ILE 363 Cb 0.60 1.39 0.14 0.00 -0.74 0.00 0.00 36.82 38.22 3aek h ILE 363 CO 0.04 0.50 -0.88 -3.20 0.00 0.00 0.00 178.15 174.61 3aek n ASN 364 N -4.12 -5.29 -4.79 1.72 5.15 -0.40 -4.96 115.26 102.58 3aek n ASN 364 Ca -0.02 -0.83 -0.33 0.00 -0.60 0.00 0.00 54.58 52.80 3aek n ASN 364 Cb 0.52 -4.43 0.01 0.00 -0.53 0.00 0.00 39.78 35.35 3aek n ASN 364 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3aek s PRO 365 N -5.19 3.26 0.05 1.20 0.04 -1.26 -4.98 135.00 128.12 3aek s PRO 365 Ca 0.39 1.35 -0.21 0.00 0.04 0.00 0.00 61.00 62.57 3aek s PRO 365 Cb -0.09 -2.02 -0.13 0.00 0.04 0.00 0.00 34.50 32.30 3aek s PRO 365 CO 0.79 -0.88 1.40 -0.44 0.04 0.00 0.00 177.00 177.92 3aek h ASP 366 N 0.63 0.33 -3.57 6.66 3.32 -1.83 -3.44 116.42 118.53 3aek h ASP 366 Ca -0.48 -0.41 -0.58 0.00 0.02 0.00 0.00 57.03 55.57 3aek h ASP 366 Cb 1.23 -0.09 -0.33 0.00 0.22 0.00 0.00 39.33 40.37 3aek h ASP 366 CO 0.57 0.67 -0.84 -0.22 -1.72 0.00 0.00 179.24 177.69 3aek s LEU 367 N -9.27 1.87 -0.20 1.55 2.96 -0.40 -4.15 118.68 111.04 3aek s LEU 367 Ca -0.14 -0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 53.36 3aek s LEU 367 Cb 0.05 -1.06 0.01 0.00 0.50 0.00 0.00 46.19 45.69 3aek s LEU 367 CO 0.74 0.12 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.85 3aek s THR 368 N 0.35 2.55 -0.16 3.68 2.01 -0.62 -1.35 115.64 122.09 3aek s THR 368 Ca -0.12 -0.80 -0.21 0.00 0.31 0.00 0.00 61.69 60.87 3aek s THR 368 Cb -0.15 -2.12 -0.03 0.00 0.01 0.00 0.00 72.50 70.21 3aek s THR 368 CO 0.05 0.47 0.63 -0.69 -0.69 0.00 0.00 174.62 174.39 3aek s VAL 369 N 1.35 5.04 0.24 3.82 1.01 0.48 -0.12 120.40 132.23 3aek s VAL 369 Ca 0.05 1.21 -0.20 0.00 0.00 0.00 0.00 61.98 63.04 3aek s VAL 369 Cb -0.14 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.32 3aek s VAL 369 CO -0.09 0.16 0.65 0.00 0.00 0.00 0.00 175.10 175.82 3aek s GLY 371 N -2.89 1.62 0.32 0.00 0.00 -1.26 -0.26 107.32 104.85 3aek s GLY 371 Ca 0.10 -0.81 0.26 0.00 0.00 0.00 0.00 44.72 44.27 3aek s GLY 371 CO 0.02 -0.07 1.77 1.41 0.00 0.00 0.00 173.10 176.24 3aek h LEU 372 N -2.03 0.00 -0.40 0.66 4.07 -1.97 -0.66 115.31 114.98 3aek h LEU 372 Ca -0.48 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.40 3aek h LEU 372 Cb 1.30 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.03 3aek h LEU 372 CO 0.45 0.00 -0.40 1.23 -1.08 0.00 0.00 178.44 178.65 3aek h GLY 373 N 2.72 0.00 0.00 0.83 0.00 -1.96 -3.33 103.07 101.33 3aek h GLY 373 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 3aek h GLY 373 CO 0.00 0.00 -2.21 1.04 0.00 0.00 0.00 176.54 175.37 3aek n LEU 374 N -3.30 0.00 0.37 3.11 4.32 -0.95 -4.70 117.00 115.84 3aek n LEU 374 Ca 0.01 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.81 3aek n LEU 374 Cb 0.62 0.32 -0.10 0.00 -1.62 0.00 0.00 43.42 42.65 3aek n LEU 374 CO 0.38 0.32 0.53 0.00 -1.22 0.00 0.00 177.39 177.40 3aek h ALA 375 N 1.27 -1.22 -0.22 -1.18 0.00 -1.24 -1.66 119.26 115.01 3aek h ALA 375 Ca -0.35 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 3aek h ALA 375 Cb 1.79 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 20.24 3aek h ALA 375 CO 0.02 -1.21 0.11 -0.91 0.00 0.00 0.00 179.25 177.26 3aek h ASN 376 N -1.11 0.28 -0.93 0.00 -0.26 -1.86 -0.97 115.58 110.73 3aek h ASN 376 Ca -0.09 -0.11 0.15 0.00 -0.56 0.00 0.00 56.30 55.70 3aek h ASN 376 Cb 0.92 -0.07 -0.08 0.00 -1.06 0.00 0.00 38.32 38.03 3aek h ASN 376 CO 0.03 0.31 0.59 -0.65 -1.06 0.00 0.00 177.43 176.65 3aek h PRO 377 N 0.23 0.71 -0.31 0.81 0.11 -1.83 -0.91 132.00 130.81 3aek h PRO 377 Ca 0.08 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 66.00 3aek h PRO 377 Cb 0.10 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.04 3aek h PRO 377 CO -0.01 0.47 -0.38 -0.07 -0.21 0.00 0.00 178.00 177.80 3aek h LEU 378 N 0.73 0.88 -0.38 2.35 4.07 -1.03 -3.00 115.31 118.92 3aek h LEU 378 Ca 0.48 -0.49 0.04 0.00 0.08 0.00 0.00 57.88 57.99 3aek h LEU 378 Cb 0.74 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 42.20 3aek h LEU 378 CO -0.24 1.19 0.15 -0.33 -1.08 0.00 0.00 178.44 178.13 3aek h GLU 379 N 0.58 0.31 0.00 1.13 4.39 -0.63 -1.35 114.58 119.01 3aek h GLU 379 Ca 0.04 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 3aek h GLU 379 Cb 0.97 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 3aek h GLU 379 CO 0.09 0.21 0.00 0.00 -1.16 0.00 0.00 179.01 178.15 3aek h ALA 380 N 1.23 1.00 -0.24 3.43 0.00 -1.18 0.11 119.26 123.60 3aek h ALA 380 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3aek h ALA 380 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3aek h ALA 380 CO -0.15 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.73 3aek n LYS 381 N -3.08 1.92 -0.60 0.00 5.02 -0.75 -4.93 118.16 115.74 3aek n LYS 381 Ca -0.02 -1.39 0.00 0.00 -2.02 0.00 0.00 58.31 54.88 3aek n LYS 381 Cb 0.12 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 3aek n LYS 381 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3aek n GLY 382 N 1.21 0.67 3.52 0.72 0.00 0.39 -5.05 105.19 106.66 3aek n GLY 382 Ca 0.16 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 3aek n GLY 382 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3aek s HIS 383 N -2.00 3.22 0.17 1.61 3.76 -0.59 -5.00 115.29 116.46 3aek s HIS 383 Ca 0.00 -0.22 -0.31 0.00 -0.15 0.00 0.00 55.06 54.37 3aek s HIS 383 Cb 0.00 -2.45 -0.10 0.00 1.11 0.00 0.00 32.58 31.14 3aek s HIS 383 CO 0.00 -0.35 1.54 0.00 -0.85 0.00 0.00 174.74 175.08 3aek s ALA 384 N 1.71 3.75 0.31 -1.40 0.00 -1.26 -3.16 121.76 121.70 3aek s ALA 384 Ca 0.06 1.35 0.11 0.00 0.00 0.00 0.00 51.96 53.48 3aek s ALA 384 Cb -0.17 -3.61 -0.06 0.00 0.00 0.00 0.00 23.12 19.28 3aek s ALA 384 CO 0.10 -0.76 -0.14 0.95 0.00 0.00 0.00 175.76 175.91 3aek s THR 385 N 1.00 2.45 -0.23 0.00 -4.23 -1.26 -1.58 115.64 111.79 3aek s THR 385 Ca 0.68 -2.28 -0.02 0.00 -1.18 0.00 0.00 61.69 58.89 3aek s THR 385 Cb -0.43 -2.49 0.07 0.00 1.34 0.00 0.00 72.50 70.99 3aek s THR 385 CO 0.33 -0.31 0.04 -0.75 -0.54 0.00 0.00 174.62 173.39 3aek s LYS 386 N -3.57 0.74 0.21 3.99 2.36 0.82 -4.77 119.74 119.52 3aek s LYS 386 Ca 0.31 -0.62 -0.32 0.00 -2.55 0.00 0.00 55.97 52.79 3aek s LYS 386 Cb -0.02 -2.10 -0.11 0.00 -1.05 0.00 0.00 37.83 34.55 3aek s LYS 386 CO 0.16 -0.73 1.67 1.67 1.55 0.00 0.00 175.35 179.67 3aek s TRP 387 N 1.77 2.93 0.28 4.03 1.48 -1.26 -2.72 118.94 125.45 3aek s TRP 387 Ca 0.01 0.46 0.05 0.00 -1.06 0.00 0.00 56.10 55.56 3aek s TRP 387 Cb -0.17 -4.08 0.41 0.00 -1.16 0.00 0.00 33.47 28.47 3aek s TRP 387 CO -0.13 -4.02 1.68 0.00 -4.06 0.00 0.00 176.95 170.42 3aek h ALA 388 N 6.61 1.06 -0.58 2.67 0.00 -0.94 -3.22 119.26 124.86 3aek h ALA 388 Ca -0.43 -0.42 0.06 0.00 0.00 0.00 0.00 54.91 54.12 3aek h ALA 388 Cb 1.20 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 3aek h ALA 388 CO 0.93 0.60 0.39 0.82 0.00 0.00 0.00 179.25 181.99 3aek h ILE 389 N 0.26 1.00 -0.51 0.00 2.04 -1.91 -2.48 117.51 115.91 3aek h ILE 389 Ca 0.02 -0.20 0.14 0.00 1.00 0.00 0.00 64.86 65.83 3aek h ILE 389 Cb 0.83 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 3aek h ILE 389 CO 0.07 0.10 0.36 -0.08 0.00 0.00 0.00 178.15 178.60 3aek h GLU 390 N 0.57 0.01 0.00 2.37 4.81 -1.94 -0.63 114.58 119.79 3aek h GLU 390 Ca 0.25 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 3aek h GLU 390 Cb 0.26 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3aek h GLU 390 CO -0.07 0.01 0.00 -0.07 -0.73 0.00 0.00 179.01 178.15 3aek h LEU 391 N 0.01 0.00 0.00 1.64 3.38 -1.67 -1.24 115.31 117.43 3aek h LEU 391 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3aek h LEU 391 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3aek h LEU 391 CO -0.01 0.00 -1.22 0.52 0.09 0.00 0.00 178.44 177.82 3aek n VAL 392 N -2.54 0.00 -1.21 1.22 0.31 -0.28 -4.53 118.33 111.30 3aek n VAL 392 Ca 0.02 -0.16 0.08 0.00 -0.01 0.00 0.00 64.34 64.26 3aek n VAL 392 Cb 0.28 0.72 0.18 0.00 -0.91 0.00 0.00 33.84 34.10 3aek n VAL 392 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3aek n PHE 393 N -1.68 0.26 -4.35 3.52 3.72 -0.62 -4.97 117.46 113.35 3aek n PHE 393 Ca 0.02 -1.15 -0.19 0.00 -0.05 0.00 0.00 57.45 56.08 3aek n PHE 393 Cb 0.37 -0.23 -0.14 0.00 -0.94 0.00 0.00 39.48 38.54 3aek n PHE 393 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3aek s THR 394 N -2.99 0.86 -0.09 4.37 2.01 -0.57 -4.98 115.64 114.26 3aek s THR 394 Ca 0.36 -0.70 -0.29 0.00 0.31 0.00 0.00 61.69 61.37 3aek s THR 394 Cb 0.32 -0.77 -0.06 0.00 0.01 0.00 0.00 72.50 72.00 3aek s THR 394 CO 0.01 0.07 1.94 -2.84 -0.69 0.00 0.00 174.62 173.11 3aek s PRO 395 N -0.72 3.80 0.00 4.92 0.02 -1.26 -4.80 135.00 136.97 3aek s PRO 395 Ca 0.01 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.26 3aek s PRO 395 Cb -0.06 -4.18 0.00 0.00 0.02 0.00 0.00 34.50 30.28 3aek s PRO 395 CO 0.00 -1.33 0.00 1.33 -0.33 0.00 0.00 177.00 176.68 3aek n VAL 396 N 6.31 0.00 -2.15 3.83 0.24 -1.26 -4.74 118.33 120.56 3aek n VAL 396 Ca 0.22 -0.08 -0.31 0.00 -2.04 0.00 0.00 64.34 62.13 3aek n VAL 396 Cb 0.43 0.54 -0.00 0.00 -1.47 0.00 0.00 33.84 33.34 3aek n VAL 396 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3aek s HIS 397 N -0.60 3.57 0.21 6.34 3.76 -1.26 -4.53 115.29 122.78 3aek s HIS 397 Ca 0.00 1.26 0.00 0.00 -0.15 0.00 0.00 55.06 56.17 3aek s HIS 397 Cb 0.00 -2.67 0.00 0.00 1.11 0.00 0.00 32.58 31.02 3aek s HIS 397 CO 0.00 -0.53 0.00 1.19 -0.85 0.00 0.00 174.74 174.55 3aek n PHE 398 N -2.31 -3.04 -0.05 1.40 3.01 -0.26 -4.27 117.46 111.94 3aek n PHE 398 Ca 0.05 1.15 -0.13 0.00 1.01 0.00 0.00 57.45 59.53 3aek n PHE 398 Cb 0.54 -2.12 -0.07 0.00 -0.01 0.00 0.00 39.48 37.82 3aek n PHE 398 CO 0.00 0.00 0.00 1.88 1.01 0.00 0.00 176.76 179.65 3aek h TYR 399 N -0.85 0.32 0.00 1.38 0.05 -1.91 -3.16 116.97 112.80 3aek h TYR 399 Ca 0.02 -0.08 -0.00 0.00 0.05 0.00 0.00 58.73 58.71 3aek h TYR 399 Cb 0.84 -0.07 -0.00 0.00 1.01 0.00 0.00 36.73 38.51 3aek h TYR 399 CO 0.00 0.62 -0.01 1.49 -1.05 0.00 0.00 178.16 179.22 3aek h GLU 400 N -0.08 0.00 -0.24 4.88 4.57 -1.89 -1.76 114.58 120.06 3aek h GLU 400 Ca 0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3aek h GLU 400 Cb 0.55 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 3aek h GLU 400 CO 0.02 0.01 0.00 1.04 -1.18 0.00 0.00 179.01 178.90 3aek n GLN 401 N -3.29 1.96 -0.20 1.92 3.00 -1.20 -4.66 117.38 114.91 3aek n GLN 401 Ca -0.03 -1.84 -0.08 0.00 -0.01 0.00 0.00 57.00 55.05 3aek n GLN 401 Cb 0.10 -1.34 0.02 0.00 0.00 0.00 0.00 30.24 29.02 3aek n GLN 401 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3aek h ALA 402 N 2.97 0.73 -0.13 -1.58 0.00 -1.28 -0.91 119.26 119.06 3aek h ALA 402 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3aek h ALA 402 Cb 0.74 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3aek h ALA 402 CO 0.00 0.33 0.01 0.78 0.00 0.00 0.00 179.25 180.37 3aek h GLY 403 N 0.77 0.24 0.04 0.00 0.00 -1.80 -2.63 103.07 99.69 3aek h GLY 403 Ca 0.19 -0.17 0.17 0.00 0.00 0.00 0.00 47.33 47.51 3aek h GLY 403 CO -0.02 0.16 0.33 -0.55 0.00 0.00 0.00 176.54 176.46 3aek h ASP 404 N -0.02 0.30 0.15 0.19 3.32 -1.81 0.26 116.42 118.80 3aek h ASP 404 Ca 0.04 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 3aek h ASP 404 Cb 0.33 0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3aek h ASP 404 CO 0.00 0.08 -0.07 0.25 -1.72 0.00 0.00 179.24 177.78 3aek h LEU 405 N 0.44 -0.17 -0.61 1.55 5.85 -1.11 -1.31 115.31 119.94 3aek h LEU 405 Ca 0.46 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 59.25 3aek h LEU 405 Cb 0.75 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.77 3aek h LEU 405 CO -0.44 -0.11 0.28 0.00 -0.34 0.00 0.00 178.44 177.83 3aek h ALA 406 N 0.62 0.81 -0.85 1.25 0.00 -1.05 -2.51 119.26 117.53 3aek h ALA 406 Ca -0.02 0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.08 3aek h ALA 406 Cb 0.17 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 3aek h ALA 406 CO 0.03 -0.11 0.55 0.78 0.00 0.00 0.00 179.25 180.51 3aek h GLY 407 N 0.50 1.08 0.81 0.00 0.00 -0.17 -0.94 103.07 104.35 3aek h GLY 407 Ca 0.30 -0.27 0.13 0.00 0.00 0.00 0.00 47.33 47.48 3aek h GLY 407 CO -0.25 0.09 0.47 1.41 0.00 0.00 0.00 176.54 178.27 3aek h LEU 408 N 0.64 0.41 0.02 3.11 4.07 -0.77 -0.88 115.31 121.91 3aek h LEU 408 Ca 0.42 0.02 -0.33 0.00 0.08 0.00 0.00 57.88 58.07 3aek h LEU 408 Cb 0.72 -0.07 -0.05 0.00 1.08 0.00 0.00 40.66 42.34 3aek h LEU 408 CO -0.18 0.23 -1.96 0.49 -1.08 0.00 0.00 178.44 175.94 3aek n PHE 409 N -4.48 0.75 0.04 1.13 3.72 -0.46 -4.23 117.46 113.93 3aek n PHE 409 Ca 0.13 0.24 -0.07 0.00 -0.05 0.00 0.00 57.45 57.70 3aek n PHE 409 Cb 0.46 -1.13 0.11 0.00 -0.94 0.00 0.00 39.48 37.98 3aek n PHE 409 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3aek h SER 410 N 0.01 0.45 -0.14 4.37 4.64 -1.16 -3.35 113.55 118.37 3aek h SER 410 Ca -0.39 -0.23 0.05 0.00 -0.47 0.00 0.00 61.79 60.75 3aek h SER 410 Cb 2.06 -0.13 -0.06 0.00 -0.31 0.00 0.00 62.40 63.97 3aek h SER 410 CO 0.06 0.89 -0.24 -0.09 -0.87 0.00 0.00 176.83 176.57 3aek h ARG 411 N 0.32 -0.29 0.00 4.77 2.43 -1.33 0.24 114.38 120.51 3aek h ARG 411 Ca 0.01 0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 3aek h ARG 411 Cb 1.02 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 3aek h ARG 411 CO 0.09 -0.20 -0.18 -1.00 -1.51 0.00 0.00 179.97 177.18 3aek h PRO 412 N -0.30 0.00 -0.03 0.20 0.13 -1.78 0.81 132.00 131.03 3aek h PRO 412 Ca 0.10 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 65.00 3aek h PRO 412 Cb 0.46 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.60 3aek h PRO 412 CO -0.31 0.18 -0.93 -0.07 -0.23 0.00 0.00 178.00 176.63 3aek h LEU 413 N 0.00 0.74 -0.76 1.56 3.38 -1.59 -2.47 115.31 116.18 3aek h LEU 413 Ca -0.00 -0.56 -0.10 0.00 0.09 0.00 0.00 57.88 57.31 3aek h LEU 413 Cb 0.36 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3aek h LEU 413 CO 0.02 1.36 -0.08 0.03 0.09 0.00 0.00 178.44 179.86 3aek h ARG 414 N 0.35 0.86 -0.26 1.13 3.08 -0.47 -2.28 114.38 116.79 3aek h ARG 414 Ca -0.09 -0.28 -0.03 0.00 0.07 0.00 0.00 59.98 59.65 3aek h ARG 414 Cb 1.57 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.54 3aek h ARG 414 CO 0.17 0.91 0.04 -0.09 -1.07 0.00 0.00 179.97 179.94 3aek h ARG 415 N 0.78 0.44 -0.40 0.04 2.43 -0.89 -1.13 114.38 115.65 3aek h ARG 415 Ca 0.13 -0.12 0.07 0.00 -0.81 0.00 0.00 59.98 59.26 3aek h ARG 415 Cb 0.59 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.02 3aek h ARG 415 CO 0.04 0.56 0.01 -0.09 -1.51 0.00 0.00 179.97 178.97 3aek h ARG 416 N 0.25 0.11 -0.61 0.20 2.43 -1.34 -0.32 114.38 115.10 3aek h ARG 416 Ca 0.08 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 3aek h ARG 416 Cb 0.33 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 3aek h ARG 416 CO 0.01 0.07 0.22 0.00 -1.51 0.00 0.00 179.97 178.76 3aek h ALA 417 N 1.34 0.80 -0.78 2.80 0.00 -1.36 -2.89 119.26 119.17 3aek h ALA 417 Ca 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3aek h ALA 417 Cb 0.27 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3aek h ALA 417 CO -0.32 0.44 0.47 1.25 0.00 0.00 0.00 179.25 181.09 3aek h LEU 418 N 0.86 0.94 -0.89 0.00 5.85 -0.70 -2.98 115.31 118.39 3aek h LEU 418 Ca 0.20 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3aek h LEU 418 Cb 0.25 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.04 3aek h LEU 418 CO -0.01 0.72 -0.04 0.18 -0.34 0.00 0.00 178.44 178.96 3aek n LEU 419 N -4.38 1.42 0.00 2.25 4.77 -0.17 -5.09 117.00 115.80 3aek n LEU 419 Ca 0.08 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 3aek n LEU 419 Cb 0.07 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3aek n LEU 419 CO 0.37 0.24 0.00 -0.46 -1.33 0.00 0.00 177.39 176.21