#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 1.54 0.00 1.09 0.08 -1.26 -1.90 117.98 117.53 3aek s PHE 8 Ca 0.00 -0.41 0.00 0.00 0.12 0.00 0.00 56.93 56.64 3aek s PHE 8 Cb 0.00 -1.04 0.00 0.00 -0.57 0.00 0.00 43.02 41.41 3aek s PHE 8 CO 0.00 -0.13 0.00 0.41 -0.10 0.00 0.00 175.22 175.40 3aek n GLY 9 N 3.10 2.94 0.18 4.36 0.00 0.39 -4.72 105.19 111.44 3aek n GLY 9 Ca -0.18 -0.82 0.09 0.00 0.00 0.00 0.00 46.02 45.11 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 0.20 0.56 -0.53 0.00 2.02 -1.92 -2.62 112.91 110.62 3aek h THR 11 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.14 3aek h THR 11 Cb 1.02 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 3aek h THR 11 CO 0.01 0.02 0.00 0.47 0.37 0.00 0.00 175.52 176.39 3aek n ASP 12 N -5.25 4.43 -4.73 4.18 8.00 -1.26 -4.96 116.55 116.96 3aek n ASP 12 Ca 0.07 -2.52 -0.41 0.00 0.71 0.00 0.00 54.79 52.64 3aek n ASP 12 Cb 0.31 -0.53 -0.03 0.00 -0.02 0.00 0.00 41.12 40.85 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 -1.10 7.11 0.02 -2.24 0.01 -0.99 -4.98 113.70 111.53 3aek s SER 13 Ca 0.46 2.19 -0.30 0.00 1.31 0.00 0.00 55.95 59.60 3aek s SER 13 Cb 0.31 -2.60 -0.06 0.00 0.21 0.00 0.00 66.02 63.88 3aek s SER 13 CO 0.20 -0.37 1.40 -2.16 0.41 0.00 0.00 173.24 172.73 3aek s PRO 14 N -0.09 4.29 -0.18 12.44 0.04 -1.26 -5.00 135.00 145.24 3aek s PRO 14 Ca 0.53 1.98 -0.12 0.00 0.04 0.00 0.00 61.00 63.43 3aek s PRO 14 Cb -0.32 -3.53 -0.05 0.00 0.04 0.00 0.00 34.50 30.64 3aek s PRO 14 CO 0.35 -0.56 0.23 0.54 0.04 0.00 0.00 177.00 177.61 3aek s VAL 15 N 2.23 5.34 -0.13 -0.36 0.11 -1.26 -4.47 120.40 121.86 3aek s VAL 15 Ca 0.64 0.41 -0.29 0.00 -2.93 0.00 0.00 61.98 59.80 3aek s VAL 15 Cb -0.32 -3.57 -0.04 0.00 -1.53 0.00 0.00 36.38 30.91 3aek s VAL 15 CO 0.27 0.39 1.64 -0.60 -3.33 0.00 0.00 175.10 173.47 3aek s ARG 16 N 0.53 4.00 -0.52 1.54 3.52 -0.27 -4.86 118.95 122.89 3aek s ARG 16 Ca 0.13 1.96 -0.17 0.00 -0.13 0.00 0.00 55.73 57.52 3aek s ARG 16 Cb -0.12 -4.01 0.09 0.00 -1.56 0.00 0.00 34.95 29.35 3aek s ARG 16 CO 0.02 -1.05 0.55 1.03 -0.81 0.00 0.00 175.30 175.04 3aek s ARG 17 N 4.32 3.03 -0.05 5.12 1.81 -1.26 0.28 118.95 132.21 3aek s ARG 17 Ca 0.73 -1.31 0.05 0.00 -1.72 0.00 0.00 55.73 53.48 3aek s ARG 17 Cb -0.29 -4.19 -0.02 0.00 -0.45 0.00 0.00 34.95 29.99 3aek s ARG 17 CO 0.29 -1.26 -0.20 -2.00 -0.68 0.00 0.00 175.30 171.45 3aek s GLU 18 N 2.12 2.44 0.15 3.54 2.12 -0.39 -5.00 118.70 123.68 3aek s GLU 18 Ca 0.08 -0.81 0.01 0.00 0.36 0.00 0.00 54.97 54.61 3aek s GLU 18 Cb -0.24 -2.25 -0.04 0.00 0.26 0.00 0.00 34.13 31.86 3aek s GLU 18 CO 0.07 0.53 0.01 -0.98 -0.54 0.00 0.00 175.26 174.36 3aek s ARG 19 N -0.52 1.02 0.00 4.30 1.70 -1.24 -1.37 118.95 122.85 3aek s ARG 19 Ca 0.07 -1.49 0.00 0.00 -0.47 0.00 0.00 55.73 53.84 3aek s ARG 19 Cb -0.11 -0.09 0.00 0.00 -0.57 0.00 0.00 34.95 34.17 3aek s ARG 19 CO 0.01 -0.17 0.00 0.41 -1.08 0.00 0.00 175.30 174.47 3aek n GLY 20 N -0.18 0.77 3.67 3.88 0.00 -1.16 -4.33 105.19 107.85 3aek n GLY 20 Ca -0.07 -1.79 -0.46 0.00 0.00 0.00 0.00 46.02 43.71 3aek n GLY 20 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3aek n GLN 21 N 0.00 2.21 -4.37 1.61 7.27 -1.26 -4.81 117.38 118.03 3aek n GLN 21 Ca 0.00 0.80 -0.27 0.00 0.07 0.00 0.00 57.00 57.60 3aek n GLN 21 Cb 0.00 -2.58 -0.13 0.00 2.41 0.00 0.00 30.24 29.94 3aek n GLN 21 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 3aek s LYS 22 N 1.21 1.34 -0.65 3.69 1.02 -1.26 -0.69 119.74 124.40 3aek s LYS 22 Ca 0.80 -1.33 0.05 0.00 0.02 0.00 0.00 55.97 55.51 3aek s LYS 22 Cb -0.66 -1.74 0.19 0.00 -0.52 0.00 0.00 37.83 35.09 3aek s LYS 22 CO 0.38 0.41 0.53 0.00 -0.92 0.00 0.00 175.35 175.75 3aek n ALA 23 N 0.85 3.45 -2.17 5.17 0.00 -1.26 -5.01 120.51 121.54 3aek n ALA 23 Ca -0.18 -4.37 -0.10 0.00 0.00 0.00 0.00 53.44 48.79 3aek n ALA 23 Cb 0.54 -0.96 -0.10 0.00 0.00 0.00 0.00 19.45 18.92 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 -1.48 0.46 0.33 0.00 -7.23 -1.26 -4.91 120.40 106.30 3aek s VAL 24 Ca 0.29 -1.92 -0.18 0.00 -1.81 0.00 0.00 61.98 58.37 3aek s VAL 24 Cb 0.01 -1.85 -0.09 0.00 0.56 0.00 0.00 36.38 35.01 3aek s VAL 24 CO -0.14 -0.70 0.80 -0.36 -0.31 0.00 0.00 175.10 174.39 3aek s PHE 25 N -3.79 3.43 0.94 2.82 0.08 -1.26 -4.99 117.98 115.20 3aek s PHE 25 Ca 0.17 1.37 -0.12 0.00 0.12 0.00 0.00 56.93 58.47 3aek s PHE 25 Cb 0.07 -2.65 0.15 0.00 -0.57 0.00 0.00 43.02 40.02 3aek s PHE 25 CO -0.02 0.10 1.12 0.00 -0.10 0.00 0.00 175.22 176.32 3aek n GLY 27 N -1.75 -0.96 0.27 0.00 0.00 -0.77 -2.73 105.19 99.26 3aek n GLY 27 Ca 0.06 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 0.27 -2.60 0.99 4.07 -1.39 -2.83 115.31 113.82 3aek h LEU 28 Ca 0.00 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 57.94 3aek h LEU 28 Cb 0.19 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 41.86 3aek h LEU 28 CO 0.00 0.27 -0.01 0.71 -1.08 0.00 0.00 178.44 178.33 3aek h THR 29 N 0.30 0.08 0.00 0.22 1.35 -1.83 -2.04 112.91 110.99 3aek h THR 29 Ca 0.08 -0.13 -0.04 0.00 -0.55 0.00 0.00 66.41 65.76 3aek h THR 29 Cb 0.10 1.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.63 3aek h THR 29 CO -0.01 0.01 -0.21 0.77 -0.25 0.00 0.00 175.52 175.83 3aek h SER 30 N 0.00 0.00 -0.66 5.36 4.64 -1.69 -2.37 113.55 118.83 3aek h SER 30 Ca -0.00 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.44 3aek h SER 30 Cb 0.12 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.16 3aek h SER 30 CO 0.00 0.21 0.44 0.40 -0.87 0.00 0.00 176.83 177.02 3aek h ILE 31 N 0.00 0.86 -0.75 0.95 2.04 -1.57 -0.67 117.51 118.37 3aek h ILE 31 Ca -0.00 -0.15 0.10 0.00 1.00 0.00 0.00 64.86 65.81 3aek h ILE 31 Cb 0.45 0.40 -0.07 0.00 -0.74 0.00 0.00 36.82 36.86 3aek h ILE 31 CO 0.03 0.08 0.39 0.58 0.00 0.00 0.00 178.15 179.22 3aek h VAL 32 N 0.42 0.85 0.03 1.67 2.07 -1.61 -1.55 116.25 118.13 3aek h VAL 32 Ca 0.31 -0.22 -0.33 0.00 0.82 0.00 0.00 66.70 67.28 3aek h VAL 32 Cb 0.65 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 3aek h VAL 32 CO -0.09 0.12 -1.98 -2.67 0.02 0.00 0.00 177.57 172.96 3aek n TRP 33 N -4.84 0.77 -0.34 1.57 2.14 -1.00 -4.38 117.44 111.36 3aek n TRP 33 Ca 0.12 0.23 0.03 0.00 2.07 0.00 0.00 57.50 59.95 3aek n TRP 33 Cb 0.29 -1.13 0.17 0.00 -0.81 0.00 0.00 31.31 29.83 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 0.02 0.91 -1.26 5.67 4.07 -1.00 -2.61 115.31 121.11 3aek h LEU 34 Ca -0.40 0.02 -0.05 0.00 0.08 0.00 0.00 57.88 57.53 3aek h LEU 34 Cb 2.06 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 43.62 3aek h LEU 34 CO 0.06 0.56 -0.26 1.12 -1.08 0.00 0.00 178.44 178.84 3aek h HIS 35 N 1.03 0.00 -0.07 1.13 2.07 -1.49 -1.10 115.15 116.72 3aek h HIS 35 Ca 0.42 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 57.72 3aek h HIS 35 Cb 0.25 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.24 3aek h HIS 35 CO -0.02 0.26 -0.86 0.00 -3.07 0.00 0.00 177.93 174.24 3aek h ARG 36 N 0.00 0.62 -0.11 5.12 2.47 -1.68 -3.31 114.38 117.50 3aek h ARG 36 Ca -0.00 -0.57 -0.08 0.00 -1.26 0.00 0.00 59.98 58.07 3aek h ARG 36 Cb 0.69 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.15 3aek h ARG 36 CO 0.03 1.19 -0.23 -0.22 0.56 0.00 0.00 179.97 181.30 3aek h LYS 37 N 0.40 0.35 -4.39 0.04 1.63 -1.32 -3.41 116.57 109.86 3aek h LYS 37 Ca -0.07 -0.23 -0.74 0.00 -0.85 0.00 0.00 60.65 58.76 3aek h LYS 37 Cb 1.48 0.03 -0.22 0.00 -0.60 0.00 0.00 32.23 32.92 3aek h LYS 37 CO 0.16 0.83 0.44 -1.64 -3.45 0.00 0.00 179.45 175.79 3aek s MET 38 N -3.96 3.60 0.29 1.90 -1.94 -0.44 -4.52 119.30 114.24 3aek s MET 38 Ca -0.14 -2.14 -0.02 0.00 -1.71 0.00 0.00 55.69 51.68 3aek s MET 38 Cb 0.04 -4.65 0.44 0.00 2.01 0.00 0.00 34.83 32.67 3aek s MET 38 CO 0.76 -1.51 1.95 1.96 -0.01 0.00 0.00 175.02 178.17 3aek h GLN 39 N 8.27 1.10 -0.42 2.03 4.20 -1.56 -2.73 115.11 126.00 3aek h GLN 39 Ca 0.13 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 3aek h GLN 39 Cb 1.03 -0.25 -0.06 0.00 0.30 0.00 0.00 27.48 28.51 3aek h GLN 39 CO 0.92 0.73 0.06 -0.40 -0.67 0.00 0.00 178.83 179.46 3aek n ASP 40 N -4.43 3.89 -4.89 1.46 5.68 -1.26 -4.97 116.55 112.03 3aek n ASP 40 Ca 0.11 -3.24 -0.29 0.00 -0.50 0.00 0.00 54.79 50.87 3aek n ASP 40 Cb 0.07 -0.62 -0.04 0.00 -1.14 0.00 0.00 41.12 39.38 3aek n ASP 40 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3aek s ALA 41 N -2.97 3.89 -0.02 2.12 0.00 -1.03 -0.52 121.76 123.23 3aek s ALA 41 Ca 0.47 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 51.53 3aek s ALA 41 Cb 0.39 -1.72 -0.01 0.00 0.00 0.00 0.00 23.12 21.78 3aek s ALA 41 CO 0.08 0.71 -0.17 0.12 0.00 0.00 0.00 175.76 176.50 3aek s PHE 42 N -1.57 1.61 -0.37 0.00 2.19 0.42 -4.83 117.98 115.43 3aek s PHE 42 Ca 0.34 -0.35 -0.05 0.00 0.33 0.00 0.00 56.93 57.20 3aek s PHE 42 Cb -0.12 -1.05 0.07 0.00 -1.31 0.00 0.00 43.02 40.61 3aek s PHE 42 CO 0.27 -0.06 0.14 -0.06 1.83 0.00 0.00 175.22 177.33 3aek s PHE 43 N -0.29 3.38 -0.45 10.12 0.40 -0.44 -0.93 117.98 129.77 3aek s PHE 43 Ca 0.04 -1.87 -0.11 0.00 -0.60 0.00 0.00 56.93 54.39 3aek s PHE 43 Cb -0.08 -2.67 0.09 0.00 0.51 0.00 0.00 43.02 40.87 3aek s PHE 43 CO 0.00 -0.85 0.33 -1.17 0.70 0.00 0.00 175.22 174.23 3aek s LEU 44 N 1.29 5.44 0.12 -0.37 2.96 0.21 -1.33 118.68 127.00 3aek s LEU 44 Ca 0.01 -1.55 -0.30 0.00 -0.22 0.00 0.00 54.13 52.07 3aek s LEU 44 Cb -0.21 -2.06 -0.06 0.00 0.50 0.00 0.00 46.19 44.36 3aek s LEU 44 CO -0.01 -0.62 1.15 -0.69 -1.32 0.00 0.00 176.35 174.87 3aek s VAL 45 N 1.48 3.97 -0.40 1.68 1.01 -0.26 -0.64 120.40 127.24 3aek s VAL 45 Ca 0.04 1.54 -0.13 0.00 0.00 0.00 0.00 61.98 63.43 3aek s VAL 45 Cb -0.24 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.18 3aek s VAL 45 CO 0.03 0.19 0.27 -0.69 0.00 0.00 0.00 175.10 174.90 3aek s VAL 46 N 0.42 4.92 0.00 2.92 1.01 -0.67 0.12 120.40 129.12 3aek s VAL 46 Ca 0.54 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.69 3aek s VAL 46 Cb -0.29 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.31 3aek s VAL 46 CO 0.32 -0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.71 3aek n GLY 47 N 5.08 2.61 3.53 4.51 0.00 -1.02 -3.70 105.19 116.20 3aek n GLY 47 Ca -0.11 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.15 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 2.52 0.22 1.61 3.41 -1.26 -0.63 113.62 119.50 3aek n SER 48 Ca 0.00 -2.70 0.14 0.00 -0.26 0.00 0.00 58.87 56.05 3aek n SER 48 Cb 0.00 -0.09 0.78 0.00 -0.26 0.00 0.00 64.21 64.64 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 -0.30 4.33 2.43 -1.95 -2.17 114.38 116.72 3aek h ARG 49 Ca -0.31 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 3aek h ARG 49 Cb 1.17 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 3aek h ARG 49 CO 0.48 0.00 0.19 1.15 -1.51 0.00 0.00 179.97 180.28 3aek h THR 50 N 0.00 1.09 -0.42 0.20 2.02 -1.98 0.14 112.91 113.96 3aek h THR 50 Ca 0.06 -0.19 -0.08 0.00 0.77 0.00 0.00 66.41 66.97 3aek h THR 50 Cb 0.27 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 3aek h THR 50 CO -0.00 0.09 -0.08 0.00 0.37 0.00 0.00 175.52 175.90 3aek h ALA 52 N 1.25 0.46 -0.30 0.00 0.00 -1.34 -2.66 119.26 116.66 3aek h ALA 52 Ca 0.12 -0.58 0.01 0.00 0.00 0.00 0.00 54.91 54.46 3aek h ALA 52 Cb 0.53 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3aek h ALA 52 CO 0.03 0.71 0.18 1.25 0.00 0.00 0.00 179.25 181.41 3aek h HIS 53 N 0.47 0.33 -0.22 0.00 2.76 -0.54 -1.38 115.15 116.57 3aek h HIS 53 Ca -0.03 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.19 3aek h HIS 53 Cb 1.31 -0.11 -0.04 0.00 1.55 0.00 0.00 27.41 30.13 3aek h HIS 53 CO 0.07 0.20 -0.03 1.25 -1.30 0.00 0.00 177.93 178.12 3aek h LEU 54 N 0.36 -0.14 -0.68 0.26 5.85 -1.09 -1.66 115.31 118.21 3aek h LEU 54 Ca 0.12 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 3aek h LEU 54 Cb -0.00 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3aek h LEU 54 CO -0.05 -0.04 0.14 -0.07 -0.34 0.00 0.00 178.44 178.08 3aek h LEU 55 N 0.04 1.06 -0.14 2.25 3.38 -1.29 0.59 115.31 121.20 3aek h LEU 55 Ca 0.10 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3aek h LEU 55 Cb 0.14 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3aek h LEU 55 CO -0.20 1.03 0.07 -0.61 0.09 0.00 0.00 178.44 178.83 3aek h GLN 56 N 1.04 0.19 0.01 1.13 4.15 -1.24 0.44 115.11 120.83 3aek h GLN 56 Ca 0.21 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.61 3aek h GLN 56 Cb 0.41 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.06 3aek h GLN 56 CO 0.01 0.22 -0.00 0.00 -1.93 0.00 0.00 178.83 177.12 3aek h ALA 57 N 0.96 -0.01 -0.66 3.38 0.00 -0.98 -2.17 119.26 119.79 3aek h ALA 57 Ca 0.05 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.98 3aek h ALA 57 Cb 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3aek h ALA 57 CO -0.01 -0.47 0.36 0.00 0.00 0.00 0.00 179.25 179.14 3aek h ALA 58 N 0.91 0.87 0.00 0.00 0.00 -0.91 -3.16 119.26 116.98 3aek h ALA 58 Ca -0.00 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 3aek h ALA 58 Cb 0.08 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3aek h ALA 58 CO 0.00 0.04 -0.61 0.00 0.00 0.00 0.00 179.25 178.69 3aek h ALA 59 N 1.34 0.91 -0.43 0.00 0.00 -0.75 -3.47 119.26 116.86 3aek h ALA 59 Ca 0.29 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3aek h ALA 59 Cb 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3aek h ALA 59 CO -0.18 0.76 0.00 0.41 0.00 0.00 0.00 179.25 180.24 3aek n GLY 60 N 0.38 3.08 0.38 0.00 0.00 -0.83 -1.71 105.19 106.49 3aek n GLY 60 Ca -0.01 0.24 0.14 0.00 0.00 0.00 0.00 46.02 46.39 3aek n GLY 60 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3aek h VAL 61 N 0.00 0.77 -0.94 1.61 2.07 -1.91 -2.28 116.25 115.57 3aek h VAL 61 Ca 0.00 -0.21 0.15 0.00 0.82 0.00 0.00 66.70 67.46 3aek h VAL 61 Cb 0.00 0.11 -0.08 0.00 -1.52 0.00 0.00 31.29 29.80 3aek h VAL 61 CO 0.00 0.11 0.60 0.24 0.02 0.00 0.00 177.57 178.54 3aek h MET 62 N 0.61 0.75 -0.26 1.57 2.07 -1.73 -2.24 114.93 115.71 3aek h MET 62 Ca 0.47 -0.05 0.07 0.00 -2.07 0.00 0.00 59.70 58.13 3aek h MET 62 Cb 0.88 -0.17 -0.01 0.00 -1.87 0.00 0.00 31.60 30.43 3aek h MET 62 CO -0.22 0.50 0.28 0.97 1.07 0.00 0.00 176.91 179.51 3aek h ILE 63 N 0.77 0.46 -0.02 -1.22 6.09 -1.57 0.15 117.51 122.17 3aek h ILE 63 Ca 0.48 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.97 3aek h ILE 63 Cb 0.71 0.78 0.00 0.00 0.47 0.00 0.00 36.82 38.78 3aek h ILE 63 CO -0.25 0.00 -0.03 0.49 -3.07 0.00 0.00 178.15 175.29 3aek n PHE 64 N -3.81 0.00 -1.29 2.19 3.72 -0.84 -4.16 117.46 113.28 3aek n PHE 64 Ca 0.03 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.22 3aek n PHE 64 Cb 0.42 -0.01 0.17 0.00 -0.94 0.00 0.00 39.48 39.12 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 0.45 5.45 -3.79 4.37 0.00 0.52 -4.96 120.51 122.56 3aek n ALA 65 Ca 0.17 -3.01 -0.32 0.00 0.00 0.00 0.00 53.44 50.27 3aek n ALA 65 Cb 0.43 -1.34 0.03 0.00 0.00 0.00 0.00 19.45 18.57 3aek n ALA 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3aek n GLU 66 N -1.12 -1.50 -1.19 0.00 -0.58 -1.26 -4.91 120.64 110.08 3aek n GLU 66 Ca 0.55 0.40 -0.30 0.00 -0.42 0.00 0.00 57.16 57.39 3aek n GLU 66 Cb 1.47 -3.99 0.13 0.00 -0.57 0.00 0.00 31.44 28.48 3aek n GLU 66 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3aek s PRO 67 N -6.28 1.46 -0.42 3.49 0.04 -1.26 -4.92 135.00 127.11 3aek s PRO 67 Ca 0.39 0.93 -0.03 0.00 0.04 0.00 0.00 61.00 62.32 3aek s PRO 67 Cb -0.15 -1.82 0.08 0.00 0.04 0.00 0.00 34.50 32.64 3aek s PRO 67 CO 0.88 -2.13 2.68 0.54 0.04 0.00 0.00 177.00 179.01 3aek n ARG 68 N -3.82 2.30 -3.94 4.56 1.74 -1.26 -4.86 116.66 111.37 3aek n ARG 68 Ca 0.08 -2.18 -0.09 0.00 -0.77 0.00 0.00 57.85 54.88 3aek n ARG 68 Cb 0.55 -2.06 -0.08 0.00 -1.02 0.00 0.00 32.46 29.85 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 -1.65 0.34 0.13 -1.55 -0.71 -1.26 -1.33 117.98 111.95 3aek s PHE 69 Ca 0.55 -0.75 -0.25 0.00 -1.04 0.00 0.00 56.93 55.44 3aek s PHE 69 Cb 0.36 -0.13 0.07 0.00 -1.21 0.00 0.00 43.02 42.11 3aek s PHE 69 CO -0.18 -0.58 1.03 0.20 -1.34 0.00 0.00 175.22 174.35 3aek s GLY 70 N -2.92 -0.19 -0.11 1.99 0.00 -0.44 -4.93 107.32 100.72 3aek s GLY 70 Ca 0.11 0.11 0.01 0.00 0.00 0.00 0.00 44.72 44.95 3aek s GLY 70 CO -0.06 0.53 -0.15 -1.59 0.00 0.00 0.00 173.10 171.83 3aek s THR 71 N -2.92 1.49 -0.83 0.90 2.01 -1.26 -1.10 115.64 113.92 3aek s THR 71 Ca 0.15 -0.63 -0.25 0.00 0.31 0.00 0.00 61.69 61.27 3aek s THR 71 Cb -0.01 -1.37 0.04 0.00 0.01 0.00 0.00 72.50 71.18 3aek s THR 71 CO 0.02 0.44 1.31 0.00 -0.69 0.00 0.00 174.62 175.70 3aek s ALA 72 N 1.06 2.79 -0.07 7.40 0.00 0.12 -4.95 121.76 128.10 3aek s ALA 72 Ca -0.05 -1.75 -0.30 0.00 0.00 0.00 0.00 51.96 49.87 3aek s ALA 72 Cb -0.15 -4.31 -0.02 0.00 0.00 0.00 0.00 23.12 18.65 3aek s ALA 72 CO -0.03 -3.35 1.00 0.14 0.00 0.00 0.00 175.76 173.52 3aek s VAL 73 N 5.25 4.81 0.21 0.00 -7.23 -1.26 -2.45 120.40 119.73 3aek s VAL 73 Ca 0.38 2.05 -0.32 0.00 -1.81 0.00 0.00 61.98 62.27 3aek s VAL 73 Cb -0.06 -4.32 -0.12 0.00 0.56 0.00 0.00 36.38 32.44 3aek s VAL 73 CO 0.06 0.06 1.71 0.18 -0.31 0.00 0.00 175.10 176.80 3aek n LEU 74 N 4.65 3.96 -5.00 1.32 4.32 0.20 -4.98 117.00 121.46 3aek n LEU 74 Ca 0.08 1.06 -0.18 0.00 -0.02 0.00 0.00 56.01 56.96 3aek n LEU 74 Cb 0.49 -1.57 0.00 0.00 -1.62 0.00 0.00 43.42 40.73 3aek n LEU 74 CO 0.52 0.16 0.12 -1.61 -1.22 0.00 0.00 177.39 175.36 3aek s GLU 75 N 1.11 2.94 0.34 3.23 2.02 -1.26 -4.86 118.70 122.22 3aek s GLU 75 Ca 0.75 -1.15 0.04 0.00 0.02 0.00 0.00 54.97 54.63 3aek s GLU 75 Cb -0.51 -2.78 0.67 0.00 0.10 0.00 0.00 34.13 31.60 3aek s GLU 75 CO 0.33 -0.14 1.93 1.49 0.02 0.00 0.00 175.26 178.88 3aek h GLU 76 N 0.73 0.83 0.00 1.61 4.81 -2.02 -1.19 114.58 119.35 3aek h GLU 76 Ca -0.42 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 58.74 3aek h GLU 76 Cb 1.27 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 3aek h GLU 76 CO 0.48 0.55 -0.11 -0.56 -0.73 0.00 0.00 179.01 178.63 3aek h GLN 77 N 0.85 0.00 0.00 1.92 3.07 -2.01 -2.60 115.11 116.34 3aek h GLN 77 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.10 3aek h GLN 77 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.87 3aek h GLN 77 CO -0.14 0.11 0.00 -0.25 0.09 0.00 0.00 178.83 178.64 3aek n ASP 78 N -3.87 0.41 0.18 0.06 10.43 -0.45 -3.46 116.55 119.85 3aek n ASP 78 Ca -0.02 0.54 0.11 0.00 2.57 0.00 0.00 54.79 57.99 3aek n ASP 78 Cb 0.21 -0.65 0.11 0.00 1.84 0.00 0.00 41.12 42.62 3aek n ASP 78 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3aek h LEU 79 N 0.00 0.00-10.13 0.64 3.38 -1.50 -3.45 115.31 104.26 3aek h LEU 79 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 3aek h LEU 79 Cb 0.59 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.47 3aek h LEU 79 CO 0.00 0.05 0.45 0.00 0.09 0.00 0.00 178.44 179.03 3aek s ALA 80 N -3.23 2.39 -1.21 1.53 0.00 -1.22 -4.93 121.76 115.08 3aek s ALA 80 Ca 0.05 0.98 0.23 0.00 0.00 0.00 0.00 51.96 53.22 3aek s ALA 80 Cb 0.06 -3.47 1.09 0.00 0.00 0.00 0.00 23.12 20.81 3aek s ALA 80 CO 0.71 -1.46 1.76 0.41 0.00 0.00 0.00 175.76 177.19 3aek n GLY 81 N 0.48 -1.19 0.00 0.00 0.00 -1.26 -2.50 105.19 100.73 3aek n GLY 81 Ca 0.14 -0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.09 3aek n GLY 81 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3aek n LEU 82 N -1.40 0.27 -4.63 0.99 7.99 -1.26 -5.01 117.00 113.95 3aek n LEU 82 Ca 0.08 -0.42 -0.43 0.00 -0.01 0.00 0.00 56.01 55.24 3aek n LEU 82 Cb 0.23 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.51 3aek n LEU 82 CO 0.20 0.07 1.62 0.00 -1.51 0.00 0.00 177.39 177.76 3aek s ALA 83 N -1.78 3.22 -1.24 -1.18 0.00 -1.04 -4.90 121.76 114.84 3aek s ALA 83 Ca 0.02 0.91 -0.19 0.00 0.00 0.00 0.00 51.96 52.70 3aek s ALA 83 Cb 0.05 -3.92 0.06 0.00 0.00 0.00 0.00 23.12 19.31 3aek s ALA 83 CO 0.28 -2.07 1.68 0.34 0.00 0.00 0.00 175.76 176.00 3aek s ASP 84 N 5.62 6.74 0.43 0.00 -1.08 -1.26 -4.75 116.67 122.37 3aek s ASP 84 Ca 0.88 -2.22 0.29 0.00 -0.52 0.00 0.00 52.55 50.97 3aek s ASP 84 Cb -0.35 -2.58 1.16 0.00 -1.46 0.00 0.00 42.92 39.70 3aek s ASP 84 CO 0.36 -1.27 1.86 0.00 0.52 0.00 0.00 175.17 176.64 3aek h ALA 85 N 8.08 1.00 0.03 3.66 0.00 -1.90 -2.59 119.26 127.53 3aek h ALA 85 Ca 0.39 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 55.05 3aek h ALA 85 Cb 0.90 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.70 3aek h ALA 85 CO 1.45 0.00 -1.04 0.45 0.00 0.00 0.00 179.25 180.11 3aek h HIS 86 N 0.00 0.74 0.00 0.00 3.86 -1.98 0.16 115.15 117.92 3aek h HIS 86 Ca 0.00 -0.43 -0.00 0.00 -1.16 0.00 0.00 60.37 58.78 3aek h HIS 86 Cb 0.50 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.89 3aek h HIS 86 CO 0.00 1.26 -0.14 1.57 0.86 0.00 0.00 177.93 181.49 3aek h LYS 87 N 0.25 0.00 -0.21 2.45 2.10 -1.96 -1.19 116.57 118.01 3aek h LYS 87 Ca -0.11 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.47 3aek h LYS 87 Cb 1.69 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 33.02 3aek h LYS 87 CO 0.19 0.02 -0.15 1.49 -2.00 0.00 0.00 179.45 179.00 3aek h GLU 88 N 0.00 0.47 -0.63 0.07 4.57 -1.42 -1.68 114.58 115.96 3aek h GLU 88 Ca -0.00 -0.23 -0.04 0.00 -1.18 0.00 0.00 59.36 57.91 3aek h GLU 88 Cb 1.02 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.58 3aek h GLU 88 CO 0.00 0.78 0.23 1.25 -1.18 0.00 0.00 179.01 180.10 3aek h LEU 89 N 0.16 0.89 -0.83 1.64 5.85 -0.65 -0.64 115.31 121.73 3aek h LEU 89 Ca 0.04 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 3aek h LEU 89 Cb 0.66 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 3aek h LEU 89 CO 0.04 0.83 0.23 0.44 -0.34 0.00 0.00 178.44 179.64 3aek h ASP 90 N 0.89 1.02 -0.27 1.25 3.45 -1.25 -0.29 116.42 121.22 3aek h ASP 90 Ca 0.21 -0.18 -0.00 0.00 0.43 0.00 0.00 57.03 57.48 3aek h ASP 90 Cb 0.24 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.73 3aek h ASP 90 CO -0.01 0.95 0.16 -0.09 -1.57 0.00 0.00 179.24 178.68 3aek h ARG 91 N 1.05 0.37 -0.53 3.56 2.43 -1.10 -0.62 114.38 119.53 3aek h ARG 91 Ca 0.23 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.40 3aek h ARG 91 Cb 0.29 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 3aek h ARG 91 CO -0.01 0.29 0.30 0.93 -1.51 0.00 0.00 179.97 179.97 3aek h GLU 92 N 0.34 0.57 0.03 0.20 4.39 -0.65 -1.50 114.58 117.96 3aek h GLU 92 Ca 0.10 -0.03 -0.22 0.00 0.34 0.00 0.00 59.36 59.54 3aek h GLU 92 Cb 0.01 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.53 3aek h GLU 92 CO -0.02 0.38 -0.98 -0.39 -1.16 0.00 0.00 179.01 176.84 3aek h VAL 93 N 0.59 1.46 -0.46 3.13 -1.51 -0.99 -1.99 116.25 116.48 3aek h VAL 93 Ca 0.22 -2.66 -0.00 0.00 -1.23 0.00 0.00 66.70 63.04 3aek h VAL 93 Cb 0.08 2.55 -0.02 0.00 -2.13 0.00 0.00 31.29 31.76 3aek h VAL 93 CO -0.13 0.78 0.28 0.00 -1.23 0.00 0.00 177.57 177.27 3aek h ALA 94 N 0.80 0.59 -0.56 5.19 0.00 -0.98 0.17 119.26 124.48 3aek h ALA 94 Ca -0.07 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3aek h ALA 94 Cb 1.63 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 3aek h ALA 94 CO 0.16 0.08 0.19 -0.22 0.00 0.00 0.00 179.25 179.47 3aek h LYS 95 N 0.62 0.85 -0.27 0.00 3.64 -1.31 0.36 116.57 120.46 3aek h LYS 95 Ca 0.17 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3aek h LYS 95 Cb -0.00 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 3aek h LYS 95 CO -0.03 0.76 0.10 1.25 -2.27 0.00 0.00 179.45 179.27 3aek h LEU 96 N 0.77 0.38 -0.61 5.20 5.85 -1.01 -3.19 115.31 122.70 3aek h LEU 96 Ca 0.18 -0.17 -0.15 0.00 0.84 0.00 0.00 57.88 58.58 3aek h LEU 96 Cb 0.25 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3aek h LEU 96 CO -0.01 0.45 -0.66 -0.07 -0.34 0.00 0.00 178.44 177.81 3aek h LEU 97 N 0.28 0.17 -0.81 2.25 3.38 -0.60 -2.98 115.31 117.00 3aek h LEU 97 Ca 0.09 -0.11 0.15 0.00 0.09 0.00 0.00 57.88 58.10 3aek h LEU 97 Cb 0.19 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 40.79 3aek h LEU 97 CO -0.01 0.78 0.38 -0.33 0.09 0.00 0.00 178.44 179.35 3aek h GLU 98 N 0.10 0.52 -0.02 1.13 4.39 -0.91 -1.86 114.58 117.92 3aek h GLU 98 Ca -0.01 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.66 3aek h GLU 98 Cb 1.18 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 3aek h GLU 98 CO 0.10 0.34 -0.05 2.89 -1.16 0.00 0.00 179.01 181.13 3aek n ARG 99 N -4.94 2.03 -3.32 2.33 1.85 -1.22 -4.63 116.66 108.77 3aek n ARG 99 Ca 0.16 -1.58 -0.25 0.00 -1.00 0.00 0.00 57.85 55.18 3aek n ARG 99 Cb 0.44 -1.47 -0.08 0.00 -1.05 0.00 0.00 32.46 30.30 3aek n ARG 99 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3aek n ARG 100 N 0.90 1.23 0.00 2.89 5.12 -0.70 -4.91 116.66 121.19 3aek n ARG 100 Ca 0.15 -3.70 0.10 0.00 -1.93 0.00 0.00 57.85 52.46 3aek n ARG 100 Cb 0.52 -1.62 0.49 0.00 -1.16 0.00 0.00 32.46 30.69 3aek n ARG 100 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 3aek n PRO 101 N 1.45 0.25 0.11 5.56 -0.02 -1.24 -2.79 135.00 138.31 3aek n PRO 101 Ca 0.24 0.11 -0.04 0.00 -2.02 0.00 0.00 63.50 61.79 3aek n PRO 101 Cb 0.48 -1.50 0.07 0.00 -0.02 0.00 0.00 33.50 32.53 3aek n PRO 101 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 3aek h ASP 102 N 0.00 0.04 -2.58 2.55 2.03 -1.90 -3.44 116.42 113.12 3aek h ASP 102 Ca 0.00 -0.03 -0.56 0.00 -0.73 0.00 0.00 57.03 55.71 3aek h ASP 102 Cb 0.20 -0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 38.68 3aek h ASP 102 CO 0.00 0.78 1.17 -0.63 -1.03 0.00 0.00 179.24 179.53 3aek s ILE 103 N -3.32 3.50 -0.36 4.15 1.01 -1.12 -4.80 121.20 120.26 3aek s ILE 103 Ca -0.01 0.58 0.16 0.00 0.00 0.00 0.00 60.65 61.38 3aek s ILE 103 Cb 0.12 -3.47 -0.22 0.00 0.01 0.00 0.00 42.46 38.90 3aek s ILE 103 CO 0.79 -0.15 0.51 0.54 0.00 0.00 0.00 174.94 176.62 3aek n ARG 104 N 7.60 1.04 -3.99 2.79 5.12 0.32 -4.66 116.66 124.88 3aek n ARG 104 Ca 0.20 -0.08 -0.25 0.00 -1.93 0.00 0.00 57.85 55.78 3aek n ARG 104 Cb 0.44 -1.33 -0.17 0.00 -1.16 0.00 0.00 32.46 30.24 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 -2.86 1.33 -0.18 5.56 -0.21 -0.87 -1.38 119.66 121.04 3aek s GLN 105 Ca -0.01 -0.20 -0.02 0.00 0.02 0.00 0.00 55.36 55.16 3aek s GLN 105 Cb 0.11 -1.39 -0.00 0.00 1.00 0.00 0.00 33.01 32.73 3aek s GLN 105 CO 0.68 -0.22 -0.10 -1.17 -2.12 0.00 0.00 175.29 172.36 3aek s LEU 106 N 1.55 2.68 -0.28 2.90 2.96 -0.20 -0.44 118.68 127.86 3aek s LEU 106 Ca 0.01 -0.42 -0.09 0.00 -0.22 0.00 0.00 54.13 53.41 3aek s LEU 106 Cb -0.13 -1.65 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 3aek s LEU 106 CO -0.05 0.04 0.12 -0.36 -1.32 0.00 0.00 176.35 174.78 3aek s PHE 107 N 1.08 3.14 -0.49 5.38 0.08 -0.10 0.66 117.98 127.73 3aek s PHE 107 Ca 0.00 -0.38 -0.22 0.00 0.12 0.00 0.00 56.93 56.45 3aek s PHE 107 Cb -0.15 -2.31 0.04 0.00 -0.57 0.00 0.00 43.02 40.03 3aek s PHE 107 CO -0.02 -0.36 0.78 -0.51 -0.10 0.00 0.00 175.22 175.00 3aek s LEU 108 N 1.64 4.40 -0.25 -0.37 1.43 0.59 -0.62 118.68 125.50 3aek s LEU 108 Ca 0.06 -0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 52.66 3aek s LEU 108 Cb -0.16 -2.78 -0.05 0.00 0.03 0.00 0.00 46.19 43.23 3aek s LEU 108 CO 0.06 -0.98 0.22 -0.69 0.23 0.00 0.00 176.35 175.19 3aek s VAL 109 N 3.27 5.30 0.32 -1.59 1.01 0.19 -2.10 120.40 126.80 3aek s VAL 109 Ca 0.26 0.29 -0.25 0.00 0.00 0.00 0.00 61.98 62.27 3aek s VAL 109 Cb -0.14 -3.56 -0.10 0.00 0.00 0.00 0.00 36.38 32.58 3aek s VAL 109 CO 0.19 0.28 0.93 -0.83 0.00 0.00 0.00 175.10 175.67 3aek s GLY 110 N 1.35 2.77 0.34 4.51 0.00 0.73 -1.67 107.32 115.35 3aek s GLY 110 Ca 0.10 0.49 0.04 0.00 0.00 0.00 0.00 44.72 45.34 3aek s GLY 110 CO 0.08 0.92 0.07 -1.35 0.00 0.00 0.00 173.10 172.82 3aek s SER 111 N -1.64 2.45 0.14 1.64 1.04 -1.24 -1.15 113.70 114.94 3aek s SER 111 Ca 0.50 -1.44 -0.21 0.00 0.48 0.00 0.00 55.95 55.28 3aek s SER 111 Cb -0.18 0.06 0.01 0.00 0.10 0.00 0.00 66.02 66.01 3aek s SER 111 CO 0.23 -0.68 1.66 0.00 0.98 0.00 0.00 173.24 175.43 3aek h PRO 113 N -0.16 0.92 -0.43 0.00 0.11 -1.97 -0.35 132.00 130.12 3aek h PRO 113 Ca 0.12 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.11 3aek h PRO 113 Cb 0.35 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 3aek h PRO 113 CO -0.31 0.61 -0.00 0.66 -0.21 0.00 0.00 178.00 178.74 3aek h SER 114 N 0.95 0.67 -0.04 -2.05 4.64 -1.66 -1.46 113.55 114.60 3aek h SER 114 Ca 0.30 -0.15 -0.10 0.00 -0.47 0.00 0.00 61.79 61.37 3aek h SER 114 Cb -0.01 -0.18 0.01 0.00 -0.31 0.00 0.00 62.40 61.91 3aek h SER 114 CO -0.10 0.74 -0.36 -0.33 -0.87 0.00 0.00 176.83 175.91 3aek h GLU 115 N 0.66 0.31 -0.99 4.77 5.08 -1.00 0.17 114.58 123.59 3aek h GLU 115 Ca 0.13 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.22 3aek h GLU 115 Cb 0.42 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.69 3aek h GLU 115 CO 0.02 0.95 0.65 0.28 -1.00 0.00 0.00 179.01 179.91 3aek h VAL 116 N -0.23 1.26 0.00 3.13 2.07 -1.02 0.18 116.25 121.64 3aek h VAL 116 Ca -0.03 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3aek h VAL 116 Cb 1.05 -0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3aek h VAL 116 CO 0.07 0.25 0.00 0.25 0.02 0.00 0.00 177.57 178.16 3aek h LEU 117 N 1.34 0.00 -1.09 2.57 5.85 -1.31 -3.47 115.31 119.20 3aek h LEU 117 Ca 0.36 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.75 3aek h LEU 117 Cb -0.15 0.00 0.13 0.00 0.37 0.00 0.00 40.66 41.01 3aek h LEU 117 CO -0.08 0.00 -0.62 0.29 -0.34 0.00 0.00 178.44 177.69 3aek n LYS 118 N -2.42 -6.73 -2.25 1.25 5.02 0.64 -4.98 118.16 108.71 3aek n LYS 118 Ca 0.01 0.74 -0.43 0.00 -2.02 0.00 0.00 58.31 56.61 3aek n LYS 118 Cb 0.20 -5.48 -0.02 0.00 -0.02 0.00 0.00 35.03 29.70 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 -6.37 4.23 -1.00 -0.35 1.43 0.53 -4.95 118.68 112.20 3aek s LEU 119 Ca 0.38 1.91 -0.23 0.00 -1.03 0.00 0.00 54.13 55.16 3aek s LEU 119 Cb -0.17 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.58 3aek s LEU 119 CO 0.64 -0.84 1.41 -0.62 0.23 0.00 0.00 176.35 177.17 3aek s ASP 120 N 2.59 6.51 0.21 2.29 3.68 -1.26 -4.78 116.67 125.91 3aek s ASP 120 Ca 0.63 -1.49 0.12 0.00 2.13 0.00 0.00 52.55 53.93 3aek s ASP 120 Cb -0.26 -2.55 -0.05 0.00 -1.45 0.00 0.00 42.92 38.61 3aek s ASP 120 CO 0.21 -1.47 1.37 -0.07 0.13 0.00 0.00 175.17 175.34 3aek h LEU 121 N 12.52 0.00 0.02 -1.34 4.07 -1.96 -2.70 115.31 125.92 3aek h LEU 121 Ca 0.18 0.00 0.01 0.00 0.08 0.00 0.00 57.88 58.15 3aek h LEU 121 Cb 1.01 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.74 3aek h LEU 121 CO 1.39 0.70 -0.06 0.44 -1.08 0.00 0.00 178.44 179.83 3aek h ASP 122 N 0.00 -0.16 -0.71 -0.43 3.32 -1.91 0.94 116.42 117.47 3aek h ASP 122 Ca -0.01 0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.12 3aek h ASP 122 Cb 1.54 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 41.10 3aek h ASP 122 CO 0.09 -0.09 0.41 -0.09 -1.72 0.00 0.00 179.24 177.85 3aek h ARG 123 N -0.11 0.74 -0.77 3.56 2.43 -1.97 -2.47 114.38 115.79 3aek h ARG 123 Ca 0.02 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3aek h ARG 123 Cb 0.13 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 3aek h ARG 123 CO -0.04 0.49 0.47 0.00 -1.51 0.00 0.00 179.97 179.37 3aek h ALA 124 N 1.35 0.99 -0.67 2.80 0.00 -1.20 -1.22 119.26 121.32 3aek h ALA 124 Ca 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3aek h ALA 124 Cb 0.16 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3aek h ALA 124 CO -0.17 0.45 0.37 0.00 0.00 0.00 0.00 179.25 179.90 3aek h ALA 125 N 1.25 0.85 -0.25 0.00 0.00 -0.38 0.12 119.26 120.86 3aek h ALA 125 Ca 0.28 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 3aek h ALA 125 Cb -0.04 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 3aek h ALA 125 CO -0.05 0.36 -0.36 0.93 0.00 0.00 0.00 179.25 180.13 3aek h GLU 126 N 0.91 0.69 -0.02 0.00 4.39 -1.33 -0.91 114.58 118.31 3aek h GLU 126 Ca 0.24 -0.40 0.01 0.00 0.34 0.00 0.00 59.36 59.55 3aek h GLU 126 Cb 0.03 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 3aek h GLU 126 CO -0.04 1.02 -0.05 -0.09 -1.16 0.00 0.00 179.01 178.69 3aek h ARG 127 N 0.41 -0.07 -0.08 2.33 2.43 -1.09 -2.49 114.38 115.83 3aek h ARG 127 Ca 0.03 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.07 3aek h ARG 127 Cb 0.94 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 3aek h ARG 127 CO 0.08 -0.05 -0.55 -0.07 -1.51 0.00 0.00 179.97 177.88 3aek h LEU 128 N -0.07 0.25 -0.50 3.80 3.38 -0.75 -1.68 115.31 119.74 3aek h LEU 128 Ca 0.03 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 3aek h LEU 128 Cb 0.11 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3aek h LEU 128 CO -0.07 0.75 -0.30 0.77 0.09 0.00 0.00 178.44 179.68 3aek h SER 129 N 0.17 0.00 -0.38 -0.43 4.64 -1.17 -0.84 113.55 115.55 3aek h SER 129 Ca 0.00 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 3aek h SER 129 Cb 1.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 3aek h SER 129 CO 0.08 0.30 -0.35 1.23 -0.87 0.00 0.00 176.83 177.22 3aek h GLY 130 N 2.95 0.98 2.00 -0.77 0.00 -1.17 -1.81 103.07 105.25 3aek h GLY 130 Ca -0.00 -1.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.27 3aek h GLY 130 CO 0.04 0.90 -0.28 1.41 0.00 0.00 0.00 176.54 178.61 3aek h LEU 131 N 0.71 0.00 -2.97 3.11 4.07 -1.05 -3.30 115.31 115.89 3aek h LEU 131 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 3aek h LEU 131 Cb 0.94 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.68 3aek h LEU 131 CO 0.09 0.28 -0.01 1.41 -1.08 0.00 0.00 178.44 179.13 3aek n HIS 132 N -3.43 0.00 -2.32 1.13 8.25 -0.34 -5.03 115.22 113.48 3aek n HIS 132 Ca 0.00 -0.75 -0.34 0.00 -0.26 0.00 0.00 57.72 56.37 3aek n HIS 132 Cb 0.47 -0.10 -0.01 0.00 1.12 0.00 0.00 29.99 31.46 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 -1.97 2.78 -2.47 -1.41 0.00 -0.68 -1.60 121.76 116.40 3aek s ALA 133 Ca 0.17 0.61 0.23 0.00 0.00 0.00 0.00 51.96 52.96 3aek s ALA 133 Cb 0.15 -3.28 0.59 0.00 0.00 0.00 0.00 23.12 20.58 3aek s ALA 133 CO 0.02 -0.59 1.48 -0.35 0.00 0.00 0.00 175.76 176.31 3aek n PRO 134 N -1.37 2.08 -0.10 0.00 -0.04 -1.26 -4.88 135.00 129.42 3aek n PRO 134 Ca 0.10 -1.61 -0.12 0.00 -0.04 0.00 0.00 63.50 61.83 3aek n PRO 134 Cb 0.52 -1.45 -0.04 0.00 -0.04 0.00 0.00 33.50 32.49 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 3.36 0.70 -3.29 0.54 2.76 -1.91 -3.43 115.15 113.87 3aek h HIS 135 Ca 0.00 -0.17 -0.55 0.00 -2.20 0.00 0.00 60.37 57.46 3aek h HIS 135 Cb 0.73 -0.16 -0.35 0.00 1.55 0.00 0.00 27.41 29.18 3aek h HIS 135 CO 0.13 0.83 -0.82 0.54 -1.30 0.00 0.00 177.93 177.31 3aek s VAL 136 N -4.65 1.25 -0.03 5.26 0.11 -0.63 -4.53 120.40 117.19 3aek s VAL 136 Ca -0.13 -0.50 -0.18 0.00 -2.93 0.00 0.00 61.98 58.24 3aek s VAL 136 Cb 0.08 -1.18 -0.05 0.00 -1.53 0.00 0.00 36.38 33.71 3aek s VAL 136 CO 0.79 0.39 0.51 -0.60 -3.33 0.00 0.00 175.10 172.86 3aek s ARG 137 N 1.07 4.21 -0.08 1.54 3.52 -0.48 -4.13 118.95 124.60 3aek s ARG 137 Ca -0.06 0.57 0.03 0.00 -0.13 0.00 0.00 55.73 56.13 3aek s ARG 137 Cb -0.15 -3.32 -0.02 0.00 -1.56 0.00 0.00 34.95 29.90 3aek s ARG 137 CO -0.02 0.43 -0.17 0.14 -0.81 0.00 0.00 175.30 174.87 3aek s VAL 138 N -0.30 2.78 0.37 7.11 -7.23 -1.26 -1.03 120.40 120.83 3aek s VAL 138 Ca 0.27 -0.80 0.08 0.00 -1.81 0.00 0.00 61.98 59.73 3aek s VAL 138 Cb -0.17 -2.10 -0.06 0.00 0.56 0.00 0.00 36.38 34.60 3aek s VAL 138 CO 0.14 0.56 0.00 -0.31 -0.31 0.00 0.00 175.10 175.19 3aek s TYR 139 N -0.20 2.50 -0.03 2.82 2.02 0.21 -4.60 117.35 120.08 3aek s TYR 139 Ca -0.01 -0.54 0.01 0.00 -0.37 0.00 0.00 57.07 56.17 3aek s TYR 139 Cb -0.13 -1.60 0.02 0.00 -0.40 0.00 0.00 41.96 39.84 3aek s TYR 139 CO 0.03 0.46 -0.04 0.45 -1.57 0.00 0.00 175.55 174.89 3aek s SER 140 N -3.71 0.77 0.11 2.29 0.15 -1.26 -0.30 113.70 111.76 3aek s SER 140 Ca 0.35 -0.10 -0.11 0.00 0.70 0.00 0.00 55.95 56.79 3aek s SER 140 Cb 0.04 -0.33 0.01 0.00 -1.71 0.00 0.00 66.02 64.03 3aek s SER 140 CO 0.19 -0.03 0.27 -0.72 1.20 0.00 0.00 173.24 174.14 3aek s TYR 141 N 0.69 0.09 -0.08 3.44 -0.85 -0.89 -4.84 117.35 114.91 3aek s TYR 141 Ca -0.09 -0.48 -0.17 0.00 -0.52 0.00 0.00 57.07 55.82 3aek s TYR 141 Cb -0.12 0.03 -0.05 0.00 0.38 0.00 0.00 41.96 42.21 3aek s TYR 141 CO -0.00 -0.62 0.44 -0.08 -1.52 0.00 0.00 175.55 173.77 3aek s THR 142 N -3.86 5.13 -0.13 -3.49 -1.32 -1.26 -0.19 115.64 110.51 3aek s THR 142 Ca 0.06 0.89 0.15 0.00 -1.21 0.00 0.00 61.69 61.59 3aek s THR 142 Cb 0.04 -3.77 0.30 0.00 -1.51 0.00 0.00 72.50 67.56 3aek s THR 142 CO -0.09 0.42 1.16 0.61 -2.21 0.00 0.00 174.62 174.50 3aek n GLY 143 N 2.79 4.32 3.80 6.08 0.00 -0.30 -4.80 105.19 117.07 3aek n GLY 143 Ca -0.10 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.74 6.19 0.56 1.61 1.04 -0.99 -1.11 113.70 118.26 3aek s SER 144 Ca 0.30 1.88 0.25 0.00 0.48 0.00 0.00 55.95 58.87 3aek s SER 144 Cb 0.28 -2.55 1.60 0.00 0.10 0.00 0.00 66.02 65.45 3aek s SER 144 CO -0.01 -0.89 2.20 1.23 0.98 0.00 0.00 173.24 176.75 3aek h GLY 145 N 1.21 0.00 1.76 7.32 0.00 -1.92 0.09 103.07 111.54 3aek h GLY 145 Ca -0.49 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 3aek h GLY 145 CO 0.59 0.00 -0.02 1.41 0.00 0.00 0.00 176.54 178.51 3aek h LEU 146 N 0.00 0.28 0.00 3.11 3.38 -1.96 -3.35 115.31 116.77 3aek h LEU 146 Ca -0.00 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 3aek h LEU 146 Cb 0.04 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3aek h LEU 146 CO 0.00 0.36 -1.48 0.47 0.09 0.00 0.00 178.44 177.87 3aek n ASP 147 N -4.34 3.29 -4.00 -0.43 8.00 -0.95 -5.09 116.55 113.03 3aek n ASP 147 Ca 0.00 -0.01 -0.10 0.00 0.71 0.00 0.00 54.79 55.39 3aek n ASP 147 Cb 0.21 0.52 -0.11 0.00 -0.02 0.00 0.00 41.12 41.72 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 -2.17 0.20 -0.19 -3.53 -4.23 -0.02 -5.00 115.64 100.69 3aek s THR 148 Ca -0.05 -0.98 0.01 0.00 -1.18 0.00 0.00 61.69 59.49 3aek s THR 148 Cb 0.02 -0.38 0.03 0.00 1.34 0.00 0.00 72.50 73.51 3aek s THR 148 CO 0.27 -0.50 -0.18 -0.89 -0.54 0.00 0.00 174.62 172.78 3aek s THR 149 N -1.56 2.10 0.00 3.99 2.01 -1.26 -3.32 115.64 117.60 3aek s THR 149 Ca -0.14 -1.05 0.00 0.00 0.31 0.00 0.00 61.69 60.82 3aek s THR 149 Cb -0.09 -1.94 0.00 0.00 0.01 0.00 0.00 72.50 70.48 3aek s THR 149 CO -0.01 0.45 0.00 0.33 -0.69 0.00 0.00 174.62 174.70 3aek n PHE 150 N 4.59 0.00 0.33 4.92 -0.00 0.43 -0.98 117.46 126.75 3aek n PHE 150 Ca -0.20 0.00 0.21 0.00 -0.00 0.00 0.00 57.45 57.46 3aek n PHE 150 Cb 0.49 0.00 1.14 0.00 -0.00 0.00 0.00 39.48 41.11 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 0.14 0.00 -2.13 1.35 -1.84 -2.44 112.91 107.99 3aek h THR 151 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 3aek h THR 151 Cb 0.00 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 3aek h THR 151 CO 0.00 0.00 0.00 1.56 -0.25 0.00 0.00 175.52 176.83 3aek h GLN 152 N 0.00 0.00 0.00 4.72 4.20 -1.33 -1.24 115.11 121.46 3aek h GLN 152 Ca -0.00 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 3aek h GLN 152 Cb 0.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3aek h GLN 152 CO 0.00 0.00 -0.35 0.78 -0.67 0.00 0.00 178.83 178.59 3aek h GLY 153 N 0.23 0.00 0.96 3.46 0.00 -1.59 -1.15 103.07 104.98 3aek h GLY 153 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 3aek h GLY 153 CO 0.00 0.00 -0.20 -2.09 0.00 0.00 0.00 176.54 174.25 3aek h GLU 154 N 0.00 0.71 -0.13 4.80 4.81 -1.44 -2.60 114.58 120.73 3aek h GLU 154 Ca -0.00 -0.33 0.01 0.00 -0.13 0.00 0.00 59.36 58.91 3aek h GLU 154 Cb 0.71 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 3aek h GLU 154 CO 0.05 0.93 0.04 0.22 -0.73 0.00 0.00 179.01 179.52 3aek h ASP 155 N 0.48 0.05 0.40 1.04 3.58 -1.46 -1.61 116.42 118.90 3aek h ASP 155 Ca 0.07 0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.47 3aek h ASP 155 Cb 0.74 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.79 3aek h ASP 155 CO 0.06 0.05 -0.30 0.71 -2.88 0.00 0.00 179.24 176.88 3aek h THR 156 N 0.11 1.07 0.33 2.25 1.35 -1.27 -1.38 112.91 115.36 3aek h THR 156 Ca 0.05 -1.08 -0.02 0.00 -0.55 0.00 0.00 66.41 64.82 3aek h THR 156 Cb 0.03 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 3aek h THR 156 CO -0.06 0.29 -0.16 0.00 -0.25 0.00 0.00 175.52 175.35 3aek h LEU 158 N -0.91 0.52 -1.46 0.00 3.38 -1.27 -2.29 115.31 113.28 3aek h LEU 158 Ca -0.04 -0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.03 3aek h LEU 158 Cb 0.52 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 3aek h LEU 158 CO 0.07 0.37 0.49 0.00 0.09 0.00 0.00 178.44 179.46 3aek h ALA 159 N 1.21 1.89 0.00 1.53 0.00 -1.34 -1.10 119.26 121.45 3aek h ALA 159 Ca 0.20 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 3aek h ALA 159 Cb -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3aek h ALA 159 CO -0.08 -0.05 -0.29 0.00 0.00 0.00 0.00 179.25 178.83 3aek h ALA 160 N 1.63 1.15 0.00 0.00 0.00 -1.08 -2.93 119.26 118.03 3aek h ALA 160 Ca 0.35 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3aek h ALA 160 Cb 0.54 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3aek h ALA 160 CO -0.12 0.36 -0.41 0.52 0.00 0.00 0.00 179.25 179.60 3aek h MET 161 N 0.00 0.00 -0.22 0.00 2.07 -1.07 -3.39 114.93 112.31 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 0.69 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.41 3aek h MET 161 CO 0.04 0.41 0.09 0.28 1.07 0.00 0.00 176.91 178.80 3aek h VAL 162 N 0.00 1.16 0.00 -2.22 2.07 -1.31 -2.43 116.25 113.52 3aek h VAL 162 Ca -0.00 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.04 3aek h VAL 162 Cb 1.29 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 3aek h VAL 162 CO 0.05 0.16 0.00 -0.65 0.02 0.00 0.00 177.57 177.15 3aek h PRO 163 N 0.21 0.00 0.00 1.57 0.11 -1.76 -1.89 132.00 130.24 3aek h PRO 163 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3aek h PRO 163 Cb 0.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.27 3aek h PRO 163 CO -0.01 0.00 -0.75 -2.37 -0.21 0.00 0.00 178.00 174.66 3aek n THR 164 N -2.66 0.13 -2.18 -1.15 5.66 -0.93 -4.94 114.28 108.21 3aek n THR 164 Ca -0.02 -0.14 -0.39 0.00 -3.05 0.00 0.00 64.05 60.45 3aek n THR 164 Cb 0.08 0.21 -0.01 0.00 -1.55 0.00 0.00 70.33 69.06 3aek n THR 164 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3aek s LEU 165 N -3.58 4.23 0.52 1.09 1.43 -0.71 -4.96 118.68 116.69 3aek s LEU 165 Ca 0.07 2.50 -0.20 0.00 -1.03 0.00 0.00 54.13 55.47 3aek s LEU 165 Cb 0.15 -3.93 -0.09 0.00 0.03 0.00 0.00 46.19 42.35 3aek s LEU 165 CO 0.75 -0.73 0.75 0.47 0.23 0.00 0.00 176.35 177.83 3aek n ASP 166 N 0.18 -0.02 -4.87 2.29 8.00 -1.26 -4.70 116.55 116.16 3aek n ASP 166 Ca 0.04 0.85 -0.31 0.00 0.71 0.00 0.00 54.79 56.08 3aek n ASP 166 Cb 0.45 -1.26 -0.05 0.00 -0.02 0.00 0.00 41.12 40.24 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 -1.52 4.83 0.03 -3.53 -1.32 -1.26 -0.60 115.64 112.27 3aek s THR 167 Ca 0.68 0.60 -0.15 0.00 -1.21 0.00 0.00 61.69 61.61 3aek s THR 167 Cb -0.49 -3.66 0.02 0.00 -1.51 0.00 0.00 72.50 66.86 3aek s THR 167 CO 0.54 -0.25 0.33 0.28 -2.21 0.00 0.00 174.62 173.31 3aek s THR 168 N -2.04 0.07 -0.69 5.08 -1.32 -0.71 -4.76 115.64 111.27 3aek s THR 168 Ca 0.50 -0.58 0.23 0.00 -1.21 0.00 0.00 61.69 60.63 3aek s THR 168 Cb -0.11 -0.87 -0.09 0.00 -1.51 0.00 0.00 72.50 69.92 3aek s THR 168 CO 0.24 -0.32 1.10 1.21 -2.21 0.00 0.00 174.62 174.63 3aek n GLU 169 N 0.71 0.23 -1.63 7.08 2.13 -1.26 -3.81 120.64 124.10 3aek n GLU 169 Ca -0.19 0.01 -0.42 0.00 0.66 0.00 0.00 57.16 57.21 3aek n GLU 169 Cb 0.59 -1.58 0.00 0.00 0.27 0.00 0.00 31.44 30.71 3aek n GLU 169 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3aek n ALA 170 N -1.76 0.36 -3.09 4.31 0.00 -1.26 -4.62 120.51 114.44 3aek n ALA 170 Ca 0.03 0.30 -0.44 0.00 0.00 0.00 0.00 53.44 53.33 3aek n ALA 170 Cb 0.42 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 -0.11 4.26 -2.56 0.00 0.00 -1.26 -4.03 120.51 116.82 3aek n ALA 171 Ca 0.08 -4.50 -0.24 0.00 0.00 0.00 0.00 53.44 48.79 3aek n ALA 171 Cb 0.37 -2.71 -0.08 0.00 0.00 0.00 0.00 19.45 17.03 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 -0.23 2.19 -0.15 0.00 2.02 -1.26 -4.82 118.70 116.45 3aek s GLU 172 Ca 0.36 -1.60 -0.12 0.00 0.02 0.00 0.00 54.97 53.63 3aek s GLU 172 Cb -0.05 -2.05 -0.05 0.00 0.10 0.00 0.00 34.13 32.09 3aek s GLU 172 CO -0.03 0.21 0.23 -1.17 0.02 0.00 0.00 175.26 174.52 3aek s LEU 173 N -3.72 4.29 -0.19 1.80 0.20 -1.16 -1.52 118.68 118.38 3aek s LEU 173 Ca 0.34 0.47 -0.04 0.00 0.69 0.00 0.00 54.13 55.59 3aek s LEU 173 Cb -0.03 -2.26 -0.02 0.00 -0.43 0.00 0.00 46.19 43.46 3aek s LEU 173 CO 0.20 0.20 -0.04 -0.63 -0.29 0.00 0.00 176.35 175.80 3aek s ILE 174 N -0.01 3.65 -0.25 6.68 1.01 0.49 -1.21 121.20 131.55 3aek s ILE 174 Ca 0.15 -0.42 -0.15 0.00 0.00 0.00 0.00 60.65 60.22 3aek s ILE 174 Cb -0.13 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 3aek s ILE 174 CO 0.03 0.45 0.39 -0.69 0.00 0.00 0.00 174.94 175.13 3aek s VAL 175 N 0.93 5.17 -0.15 2.92 1.01 0.70 -1.15 120.40 129.83 3aek s VAL 175 Ca -0.00 0.64 -0.05 0.00 0.00 0.00 0.00 61.98 62.57 3aek s VAL 175 Cb -0.15 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 3aek s VAL 175 CO 0.01 0.18 0.02 -0.69 0.00 0.00 0.00 175.10 174.61 3aek s VAL 176 N 1.88 4.39 0.00 2.92 1.01 -0.32 -1.49 120.40 128.78 3aek s VAL 176 Ca 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.96 3aek s VAL 176 Cb -0.15 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.29 3aek s VAL 176 CO 0.09 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.31 3aek n GLY 177 N 3.21 4.05 3.60 4.51 0.00 0.19 -0.54 105.19 120.21 3aek n GLY 177 Ca -0.17 -1.14 -0.43 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.01 3.05 0.14 4.61 0.00 -1.26 -4.59 121.76 123.70 3aek s ALA 178 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 51.96 52.02 3aek s ALA 178 Cb 0.00 -3.94 -0.04 0.00 0.00 0.00 0.00 23.12 19.14 3aek s ALA 178 CO 0.00 -2.36 -0.02 -0.51 0.00 0.00 0.00 175.76 172.87 3aek s LEU 179 N 5.63 3.31 0.43 0.00 1.43 -1.26 -5.08 118.68 123.13 3aek s LEU 179 Ca 0.65 -0.33 -0.24 0.00 -1.03 0.00 0.00 54.13 53.19 3aek s LEU 179 Cb -0.16 -2.01 -0.11 0.00 0.03 0.00 0.00 46.19 43.94 3aek s LEU 179 CO 0.32 0.13 0.90 -2.65 0.23 0.00 0.00 176.35 175.27 3aek n PRO 180 N 0.23 1.13 -0.27 1.29 -0.02 -1.26 -4.71 135.00 131.39 3aek n PRO 180 Ca -0.11 0.41 0.08 0.00 -2.02 0.00 0.00 63.50 61.86 3aek n PRO 180 Cb 0.54 -1.91 0.23 0.00 -0.02 0.00 0.00 33.50 32.33 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 1.31 0.09 -0.60 2.55 5.19 -1.99 -0.66 116.42 122.30 3aek h ASP 181 Ca -0.43 0.16 -0.07 0.00 -0.62 0.00 0.00 57.03 56.06 3aek h ASP 181 Cb 1.35 0.19 -0.03 0.00 0.18 0.00 0.00 39.33 41.03 3aek h ASP 181 CO 0.55 -0.04 0.11 0.58 -3.12 0.00 0.00 179.24 177.32 3aek h VAL 182 N 0.30 1.25 -0.30 -1.35 2.07 -2.00 -0.86 116.25 115.37 3aek h VAL 182 Ca 0.47 -0.98 -0.08 0.00 0.82 0.00 0.00 66.70 66.93 3aek h VAL 182 Cb 0.85 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 3aek h VAL 182 CO -0.54 0.37 -0.14 0.58 0.02 0.00 0.00 177.57 177.86 3aek h VAL 183 N 0.96 1.29 -0.80 2.57 2.07 -1.63 -2.47 116.25 118.24 3aek h VAL 183 Ca 0.19 -1.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 3aek h VAL 183 Cb 0.40 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 3aek h VAL 183 CO 0.01 0.39 0.48 -0.08 0.02 0.00 0.00 177.57 178.39 3aek h GLU 184 N 0.37 1.09 -0.46 1.57 4.81 -0.94 -0.58 114.58 120.43 3aek h GLU 184 Ca 0.07 -0.10 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 3aek h GLU 184 Cb 0.66 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 3aek h GLU 184 CO 0.04 0.77 0.11 -0.44 -0.73 0.00 0.00 179.01 178.76 3aek h ASP 185 N 1.10 0.70 -0.38 1.04 3.32 -1.15 -0.31 116.42 120.75 3aek h ASP 185 Ca 0.29 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3aek h ASP 185 Cb -0.04 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 3aek h ASP 185 CO -0.05 0.75 0.19 1.56 -1.72 0.00 0.00 179.24 179.97 3aek h GLN 186 N 0.62 0.54 -0.02 3.56 4.20 -1.18 0.11 115.11 122.94 3aek h GLN 186 Ca 0.15 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.79 3aek h GLN 186 Cb 0.32 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 3aek h GLN 186 CO 0.00 0.47 -0.03 0.00 -0.67 0.00 0.00 178.83 178.61 3aek h LEU 188 N -0.04 0.83 -0.19 0.00 5.85 -0.91 -1.96 115.31 118.89 3aek h LEU 188 Ca 0.02 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 3aek h LEU 188 Cb 0.06 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3aek h LEU 188 CO -0.04 0.60 -0.08 -1.28 -0.34 0.00 0.00 178.44 177.30 3aek h SER 189 N 0.98 0.41 -0.78 1.25 0.87 -0.54 -2.54 113.55 113.19 3aek h SER 189 Ca 0.28 -0.40 -0.05 0.00 -1.23 0.00 0.00 61.79 60.39 3aek h SER 189 Cb -0.07 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 61.74 3aek h SER 189 CO -0.07 0.71 0.28 -0.07 -0.53 0.00 0.00 176.83 177.16 3aek h LEU 190 N 0.10 1.10 -0.58 2.23 3.38 -0.92 -0.44 115.31 120.18 3aek h LEU 190 Ca 0.05 -0.19 -0.15 0.00 0.09 0.00 0.00 57.88 57.67 3aek h LEU 190 Cb 0.55 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3aek h LEU 190 CO 0.03 0.99 -0.58 -0.07 0.09 0.00 0.00 178.44 178.90 3aek h LEU 191 N 1.15 0.47 -0.67 1.67 3.38 -1.43 -1.77 115.31 118.11 3aek h LEU 191 Ca 0.26 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3aek h LEU 191 Cb 0.26 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3aek h LEU 191 CO -0.02 0.94 0.05 0.74 0.09 0.00 0.00 178.44 180.25 3aek h THR 192 N 0.32 1.26 -0.14 0.22 2.02 -1.27 -1.19 112.91 114.14 3aek h THR 192 Ca 0.00 -1.10 -0.06 0.00 0.77 0.00 0.00 66.41 66.02 3aek h THR 192 Cb 1.10 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 3aek h THR 192 CO 0.10 0.41 -0.18 1.56 0.37 0.00 0.00 175.52 177.77 3aek h GLN 193 N 1.00 0.23 0.00 6.66 4.20 -0.80 -2.36 115.11 124.04 3aek h GLN 193 Ca 0.19 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3aek h GLN 193 Cb 0.50 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.26 3aek h GLN 193 CO 0.02 0.41 0.00 1.28 -0.67 0.00 0.00 178.83 179.87 3aek n LEU 194 N -4.23 0.16 0.00 1.46 4.77 -0.69 -4.91 117.00 113.56 3aek n LEU 194 Ca -0.01 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 3aek n LEU 194 Cb 0.31 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3aek n LEU 194 CO 0.39 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3aek n GLY 195 N 1.28 0.74 3.76 -0.72 0.00 -0.89 -4.90 105.19 104.46 3aek n GLY 195 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 3aek n GLY 195 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3aek s VAL 196 N -2.08 5.03 0.00 1.61 -7.23 -0.47 -5.01 120.40 112.25 3aek s VAL 196 Ca 0.00 1.09 0.00 0.00 -1.81 0.00 0.00 61.98 61.26 3aek s VAL 196 Cb 0.00 -3.86 0.00 0.00 0.56 0.00 0.00 36.38 33.08 3aek s VAL 196 CO 0.00 0.41 0.00 0.61 -0.31 0.00 0.00 175.10 175.81 3aek n GLY 197 N 2.65 0.33 3.82 2.32 0.00 -1.26 -3.86 105.19 109.20 3aek n GLY 197 Ca -0.08 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 3aek n GLY 197 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3aek s PRO 198 N -2.00 3.50 -0.01 1.61 0.04 -1.26 -4.86 135.00 132.02 3aek s PRO 198 Ca 0.00 1.06 0.07 0.00 0.04 0.00 0.00 61.00 62.18 3aek s PRO 198 Cb 0.00 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 3aek s PRO 198 CO 0.00 -0.65 -0.23 0.54 0.04 0.00 0.00 177.00 176.70 3aek s VAL 199 N -2.63 1.84 0.13 -0.36 0.11 -1.26 -2.96 120.40 115.27 3aek s VAL 199 Ca 0.61 -1.03 0.05 0.00 -2.93 0.00 0.00 61.98 58.69 3aek s VAL 199 Cb -0.13 -1.53 -0.04 0.00 -1.53 0.00 0.00 36.38 33.14 3aek s VAL 199 CO 0.38 0.49 -0.12 -0.13 -3.33 0.00 0.00 175.10 172.39 3aek s ARG 200 N -0.62 1.04 -0.08 1.54 1.81 -0.35 -5.01 118.95 117.28 3aek s ARG 200 Ca 0.09 -1.33 -0.00 0.00 -1.72 0.00 0.00 55.73 52.77 3aek s ARG 200 Cb -0.09 -0.79 -0.03 0.00 -0.45 0.00 0.00 34.95 33.59 3aek s ARG 200 CO -0.01 0.13 -0.04 -1.64 -0.68 0.00 0.00 175.30 173.06 3aek s MET 201 N -3.12 2.86 -0.24 3.54 -1.94 -1.26 -0.21 119.30 118.93 3aek s MET 201 Ca 0.12 -0.50 -0.01 0.00 -1.71 0.00 0.00 55.69 53.60 3aek s MET 201 Cb -0.02 -2.67 0.03 0.00 2.01 0.00 0.00 34.83 34.18 3aek s MET 201 CO 0.02 0.66 -0.08 -1.17 -0.01 0.00 0.00 175.02 174.44 3aek s LEU 202 N -0.79 3.15 0.56 -0.03 2.96 -0.56 -2.43 118.68 121.54 3aek s LEU 202 Ca 0.12 -0.94 -0.15 0.00 -0.22 0.00 0.00 54.13 52.95 3aek s LEU 202 Cb -0.11 -1.63 -0.06 0.00 0.50 0.00 0.00 46.19 44.88 3aek s LEU 202 CO 0.02 -0.13 1.00 -2.16 -1.32 0.00 0.00 176.35 173.76 3aek s PRO 203 N 1.29 3.80 0.72 0.98 0.04 -1.26 -0.64 135.00 139.93 3aek s PRO 203 Ca -0.01 0.89 -0.09 0.00 0.04 0.00 0.00 61.00 61.83 3aek s PRO 203 Cb -0.17 -2.11 0.05 0.00 0.04 0.00 0.00 34.50 32.31 3aek s PRO 203 CO -0.05 -0.40 1.07 0.00 0.04 0.00 0.00 177.00 177.65 3aek s ALA 204 N -2.82 2.96 0.32 8.56 0.00 -1.02 -4.91 121.76 124.85 3aek s ALA 204 Ca 0.58 -0.68 0.11 0.00 0.00 0.00 0.00 51.96 51.97 3aek s ALA 204 Cb -0.11 -2.81 0.53 0.00 0.00 0.00 0.00 23.12 20.74 3aek s ALA 204 CO 0.40 -1.31 1.72 0.00 0.00 0.00 0.00 175.76 176.56 3aek h ARG 205 N -0.70 0.00 -5.03 0.00 3.08 -1.90 -3.43 114.38 106.42 3aek h ARG 205 Ca -0.45 -0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.28 3aek h ARG 205 Cb 1.30 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 31.20 3aek h ARG 205 CO 0.63 0.50 -0.72 1.03 -1.07 0.00 0.00 179.97 180.34 3aek s ARG 206 N -3.89 1.00 0.50 0.04 0.52 -1.26 -1.74 118.95 114.12 3aek s ARG 206 Ca -0.02 -1.38 0.29 0.00 -0.52 0.00 0.00 55.73 54.10 3aek s ARG 206 Cb 0.13 -0.58 1.06 0.00 0.52 0.00 0.00 34.95 36.08 3aek s ARG 206 CO 0.75 0.07 1.87 0.66 0.02 0.00 0.00 175.30 178.67 3aek h SER 207 N 2.96 0.00 0.30 0.23 4.64 -1.92 -3.10 113.55 116.67 3aek h SER 207 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 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 0.61 0.07 -0.29 -0.90 -0.87 0.00 0.00 176.83 175.46 3aek n ASP 208 N -3.18 0.87 -0.78 4.97 5.75 -1.26 -3.98 116.55 118.95 3aek n ASP 208 Ca 0.01 -0.73 0.03 0.00 -0.01 0.00 0.00 54.79 54.09 3aek n ASP 208 Cb 0.38 0.13 0.18 0.00 -1.03 0.00 0.00 41.12 40.79 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 -0.84 2.12 -2.05 2.12 -5.35 -1.17 -5.05 119.36 109.13 3aek n ILE 209 Ca 0.11 -3.21 -0.37 0.00 -0.27 0.00 0.00 62.75 59.01 3aek n ILE 209 Cb 0.34 -0.24 0.02 0.00 -1.74 0.00 0.00 39.64 38.02 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 -3.10 3.31 0.58 6.28 0.41 -1.25 -4.78 118.70 120.15 3aek s GLU 210 Ca 0.39 1.91 -0.19 0.00 -0.41 0.00 0.00 54.97 56.67 3aek s GLU 210 Cb 0.37 -2.19 -0.04 0.00 -1.78 0.00 0.00 34.13 30.50 3aek s GLU 210 CO -0.07 -0.95 1.18 -1.25 -0.49 0.00 0.00 175.26 173.68 3aek s PRO 211 N -2.99 3.07 0.54 0.39 0.04 -1.26 -4.95 135.00 129.83 3aek s PRO 211 Ca 0.71 1.74 -0.07 0.00 0.04 0.00 0.00 61.00 63.42 3aek s PRO 211 Cb -0.32 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.24 3aek s PRO 211 CO 0.37 -1.11 0.88 0.00 0.04 0.00 0.00 177.00 177.18 3aek s ALA 212 N -1.69 3.29 0.04 8.56 0.00 -1.26 -4.46 121.76 126.25 3aek s ALA 212 Ca 0.76 -0.39 0.05 0.00 0.00 0.00 0.00 51.96 52.37 3aek s ALA 212 Cb -0.28 -2.75 -0.02 0.00 0.00 0.00 0.00 23.12 20.07 3aek s ALA 212 CO 0.32 -0.51 -0.14 0.08 0.00 0.00 0.00 175.76 175.51 3aek s VAL 213 N -2.91 1.10 0.32 0.00 1.01 0.23 -4.89 120.40 115.27 3aek s VAL 213 Ca 0.50 -1.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.29 3aek s VAL 213 Cb -0.11 -1.01 0.06 0.00 0.00 0.00 0.00 36.38 35.33 3aek s VAL 213 CO 0.48 -0.03 0.82 0.61 0.00 0.00 0.00 175.10 176.98 3aek n GLY 214 N 1.83 0.91 0.00 4.51 0.00 -1.25 -1.73 105.19 109.46 3aek n GLY 214 Ca -0.18 -1.22 0.05 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.56 0.09 -0.03 1.61 -0.04 -1.25 -1.73 135.00 133.09 3aek n PRO 215 Ca -0.07 0.24 0.03 0.00 -0.04 0.00 0.00 63.50 63.67 3aek n PRO 215 Cb 0.56 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.57 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 1.84 -4.73 3.54 5.03 -1.26 -4.70 115.26 113.60 3aek n ASN 216 Ca 0.04 -1.49 -0.41 0.00 0.87 0.00 0.00 54.58 53.59 3aek n ASN 216 Cb 0.10 -0.04 -0.03 0.00 -1.02 0.00 0.00 39.78 38.79 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 -0.68 3.75 0.02 3.41 2.01 -0.70 -4.18 115.64 119.26 3aek s THR 217 Ca 0.09 1.38 0.01 0.00 0.31 0.00 0.00 61.69 63.48 3aek s THR 217 Cb 0.06 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 3aek s THR 217 CO 0.08 0.18 0.05 -0.13 -0.69 0.00 0.00 174.62 174.11 3aek s ARG 218 N 0.27 2.92 0.01 4.92 1.81 -0.58 -0.39 118.95 127.90 3aek s ARG 218 Ca 0.55 -0.58 0.00 0.00 -1.72 0.00 0.00 55.73 53.98 3aek s ARG 218 Cb -0.31 -2.76 -0.01 0.00 -0.45 0.00 0.00 34.95 31.42 3aek s ARG 218 CO 0.34 0.62 -0.02 -0.59 -0.68 0.00 0.00 175.30 174.96 3aek s PHE 219 N -1.20 0.18 -0.03 -0.53 -0.71 -0.78 -0.38 117.98 114.53 3aek s PHE 219 Ca 0.23 -0.23 0.05 0.00 -1.04 0.00 0.00 56.93 55.93 3aek s PHE 219 Cb -0.12 -0.12 -0.01 0.00 -1.21 0.00 0.00 43.02 41.56 3aek s PHE 219 CO 0.14 -0.07 -0.16 -1.50 -1.34 0.00 0.00 175.22 172.29 3aek s ILE 220 N -0.63 1.31 -0.05 -4.49 2.07 -0.30 -1.21 121.20 117.90 3aek s ILE 220 Ca -0.06 -0.68 -0.25 0.00 -1.41 0.00 0.00 60.65 58.24 3aek s ILE 220 Cb -0.04 -1.11 -0.03 0.00 0.13 0.00 0.00 42.46 41.40 3aek s ILE 220 CO -0.00 0.38 0.78 -0.76 -1.91 0.00 0.00 174.94 173.43 3aek s LEU 221 N -0.15 4.33 0.11 8.50 1.43 -1.26 -1.18 118.68 130.46 3aek s LEU 221 Ca 0.01 1.33 0.23 0.00 -1.03 0.00 0.00 54.13 54.67 3aek s LEU 221 Cb -0.09 -3.23 0.02 0.00 0.03 0.00 0.00 46.19 42.92 3aek s LEU 221 CO 0.01 -0.16 1.01 0.00 0.23 0.00 0.00 176.35 177.43 3aek n ALA 222 N 3.82 2.92 -2.73 4.21 0.00 0.30 -4.87 120.51 124.16 3aek n ALA 222 Ca 0.01 -0.33 -0.25 0.00 0.00 0.00 0.00 53.44 52.87 3aek n ALA 222 Cb 0.51 -1.02 -0.16 0.00 0.00 0.00 0.00 19.45 18.78 3aek n ALA 222 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3aek s GLN 223 N -3.30 1.59 0.28 0.00 -1.52 -1.24 -4.66 119.66 110.81 3aek s GLN 223 Ca 0.01 -0.61 0.24 0.00 -1.95 0.00 0.00 55.36 53.06 3aek s GLN 223 Cb 0.12 -1.45 1.02 0.00 -0.22 0.00 0.00 33.01 32.48 3aek s GLN 223 CO 0.80 0.30 1.73 -1.00 -0.25 0.00 0.00 175.29 176.87 3aek h PRO 224 N 6.01 0.00 -0.96 2.91 0.13 -1.91 -3.33 132.00 134.86 3aek h PRO 224 Ca -0.34 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.47 3aek h PRO 224 Cb 1.16 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.11 3aek h PRO 224 CO 0.48 0.00 0.40 1.97 -0.23 0.00 0.00 178.00 180.62 3aek n PHE 225 N -2.30 2.06 -1.95 1.56 -1.74 -1.26 -4.55 117.46 109.27 3aek n PHE 225 Ca 0.02 -1.32 -0.28 0.00 -0.56 0.00 0.00 57.45 55.31 3aek n PHE 225 Cb 0.23 -0.69 0.03 0.00 1.52 0.00 0.00 39.48 40.57 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 -0.51 5.68 -0.17 5.98 4.77 -1.25 -4.46 117.00 127.04 3aek n LEU 226 Ca 0.39 -4.75 -0.09 0.00 -0.03 0.00 0.00 56.01 51.53 3aek n LEU 226 Cb 1.27 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 3aek n LEU 226 CO 0.40 1.97 0.88 1.23 -1.33 0.00 0.00 177.39 180.55 3aek h GLY 227 N 2.28 0.82 1.03 -0.72 0.00 -1.93 -1.44 103.07 103.12 3aek h GLY 227 Ca 0.42 -0.52 -0.13 0.00 0.00 0.00 0.00 47.33 47.10 3aek h GLY 227 CO 1.01 0.48 -0.31 0.83 0.00 0.00 0.00 176.54 178.54 3aek h GLU 228 N 0.65 0.79 -0.74 4.80 4.39 -1.87 -1.91 114.58 120.69 3aek h GLU 228 Ca 0.15 -0.41 -0.05 0.00 0.34 0.00 0.00 59.36 59.38 3aek h GLU 228 Cb 0.33 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 3aek h GLU 228 CO 0.00 1.04 0.25 1.15 -1.16 0.00 0.00 179.01 180.30 3aek h THR 229 N 0.56 1.26 0.06 1.13 2.02 -1.72 -1.20 112.91 115.01 3aek h THR 229 Ca 0.05 -0.87 0.02 0.00 0.77 0.00 0.00 66.41 66.39 3aek h THR 229 Cb 0.89 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 3aek h THR 229 CO 0.08 0.34 -0.16 0.74 0.37 0.00 0.00 175.52 176.89 3aek h THR 230 N 1.09 0.61 -1.00 3.16 2.02 -1.19 -1.43 112.91 116.17 3aek h THR 230 Ca 0.24 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.51 3aek h THR 230 Cb 0.27 0.61 -0.07 0.00 -1.74 0.00 0.00 68.15 67.22 3aek h THR 230 CO -0.01 0.00 0.64 1.23 0.37 0.00 0.00 175.52 177.75 3aek h GLY 231 N -0.30 1.57 1.03 2.16 0.00 -1.06 -1.66 103.07 104.80 3aek h GLY 231 Ca 0.03 -0.45 -0.14 0.00 0.00 0.00 0.00 47.33 46.77 3aek h GLY 231 CO -0.12 0.25 -0.39 0.00 0.00 0.00 0.00 176.54 176.29 3aek h ALA 232 N 1.50 0.43 -0.42 3.60 0.00 -0.95 -2.09 119.26 121.33 3aek h ALA 232 Ca 0.46 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3aek h ALA 232 Cb 0.32 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3aek h ALA 232 CO -0.21 0.52 0.15 -0.07 0.00 0.00 0.00 179.25 179.64 3aek h LEU 233 N 0.51 0.60 -1.89 0.00 3.38 -1.13 -2.76 115.31 114.03 3aek h LEU 233 Ca 0.03 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3aek h LEU 233 Cb 0.98 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 3aek h LEU 233 CO 0.09 0.62 0.01 -0.33 0.09 0.00 0.00 178.44 178.93 3aek h GLU 234 N 0.54 0.08 -0.11 1.13 5.08 -1.23 -1.28 114.58 118.79 3aek h GLU 234 Ca 0.14 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 3aek h GLU 234 Cb 0.23 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3aek h GLU 234 CO -0.01 0.08 -0.23 0.00 -1.00 0.00 0.00 179.01 177.85 3aek h ARG 235 N 0.08 0.20 0.00 2.33 3.08 -1.09 -2.12 114.38 116.86 3aek h ARG 235 Ca 0.02 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3aek h ARG 235 Cb 0.04 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3aek h ARG 235 CO -0.00 0.42 0.00 0.54 -1.07 0.00 0.00 179.97 179.86 3aek n ARG 236 N -4.20 0.71 0.00 0.04 5.12 -0.51 -4.89 116.66 112.93 3aek n ARG 236 Ca -0.01 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3aek n ARG 236 Cb 0.33 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.13 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 0.99 0.62 3.79 -0.13 0.00 -0.80 -3.80 105.19 105.87 3aek n GLY 237 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 3.07 -0.10 4.61 0.00 -1.00 -4.24 121.76 122.10 3aek s ALA 238 Ca 0.00 0.56 -0.00 0.00 0.00 0.00 0.00 51.96 52.52 3aek s ALA 238 Cb 0.00 -3.21 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 3aek s ALA 238 CO 0.00 -0.03 -0.09 0.21 0.00 0.00 0.00 175.76 175.84 3aek s LYS 239 N -2.68 3.11 0.28 0.00 2.20 0.47 -4.01 119.74 119.12 3aek s LYS 239 Ca 0.58 -0.61 -0.23 0.00 -0.36 0.00 0.00 55.97 55.35 3aek s LYS 239 Cb -0.17 -2.64 -0.09 0.00 -1.51 0.00 0.00 37.83 33.42 3aek s LYS 239 CO 0.21 0.42 0.84 0.50 -0.36 0.00 0.00 175.35 176.97 3aek s ARG 240 N -0.17 4.42 -0.40 4.03 3.52 -1.26 -1.87 118.95 127.21 3aek s ARG 240 Ca 0.01 1.11 -0.16 0.00 -0.13 0.00 0.00 55.73 56.57 3aek s ARG 240 Cb -0.13 -2.82 0.01 0.00 -1.56 0.00 0.00 34.95 30.46 3aek s ARG 240 CO 0.03 0.32 0.34 0.42 -0.81 0.00 0.00 175.30 175.60 3aek s ILE 241 N -1.59 5.20 0.29 4.11 1.01 -0.35 -4.90 121.20 124.97 3aek s ILE 241 Ca 0.47 -0.47 -0.29 0.00 0.00 0.00 0.00 60.65 60.36 3aek s ILE 241 Cb -0.17 -3.93 -0.10 0.00 0.01 0.00 0.00 42.46 38.26 3aek s ILE 241 CO 0.22 -0.30 1.29 0.00 0.00 0.00 0.00 174.94 176.15 3aek s ALA 242 N 1.85 3.50 -0.16 9.38 0.00 -1.26 -4.57 121.76 130.50 3aek s ALA 242 Ca 0.08 1.18 -0.29 0.00 0.00 0.00 0.00 51.96 52.93 3aek s ALA 242 Cb -0.18 -3.46 0.12 0.00 0.00 0.00 0.00 23.12 19.59 3aek s ALA 242 CO 0.11 -0.56 0.94 0.00 0.00 0.00 0.00 175.76 176.26 3aek s ALA 243 N -0.84 -1.91 0.76 0.00 0.00 -1.26 -4.88 121.76 113.63 3aek s ALA 243 Ca 0.50 1.60 -0.14 0.00 0.00 0.00 0.00 51.96 53.92 3aek s ALA 243 Cb -0.38 -0.72 0.05 0.00 0.00 0.00 0.00 23.12 22.07 3aek s ALA 243 CO 0.48 -0.31 1.19 -2.14 0.00 0.00 0.00 175.76 174.98 3aek s PRO 244 N -0.87 2.00 0.39 0.00 0.02 -1.26 -4.82 135.00 130.46 3aek s PRO 244 Ca -0.02 1.69 -0.24 0.00 0.02 0.00 0.00 61.00 62.44 3aek s PRO 244 Cb -0.01 -1.82 -0.09 0.00 0.02 0.00 0.00 34.50 32.59 3aek s PRO 244 CO 0.02 -1.93 1.02 -0.06 -0.33 0.00 0.00 177.00 175.72 3aek s PHE 245 N -2.14 3.34 -1.27 6.54 0.08 -1.26 -4.26 117.98 119.01 3aek s PHE 245 Ca 0.72 1.66 -0.14 0.00 0.12 0.00 0.00 56.93 59.30 3aek s PHE 245 Cb -0.27 -3.06 -0.05 0.00 -0.57 0.00 0.00 43.02 39.07 3aek s PHE 245 CO 0.48 -0.43 2.31 -0.35 -0.10 0.00 0.00 175.22 177.12 3aek n PRO 246 N -0.05 2.64 -4.22 0.24 -0.04 -1.26 -4.30 135.00 128.01 3aek n PRO 246 Ca 0.05 -2.18 -0.34 0.00 -0.04 0.00 0.00 63.50 60.99 3aek n PRO 246 Cb 0.50 -2.98 -0.15 0.00 -0.04 0.00 0.00 33.50 30.83 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 3.40 2.85 0.00 0.54 0.40 -1.26 -0.75 117.98 123.15 3aek s PHE 247 Ca 0.53 -1.12 0.00 0.00 -0.60 0.00 0.00 56.93 55.75 3aek s PHE 247 Cb 0.14 -1.97 0.00 0.00 0.51 0.00 0.00 43.02 41.70 3aek s PHE 247 CO -0.03 -0.56 0.00 0.41 0.70 0.00 0.00 175.22 175.74 3aek n GLY 248 N 4.42 -2.31 0.23 4.36 0.00 -1.26 -2.98 105.19 107.64 3aek n GLY 248 Ca -0.19 -1.55 -0.11 0.00 0.00 0.00 0.00 46.02 44.17 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 0.78 0.03 1.61 4.22 -1.90 -2.23 114.58 117.09 3aek h GLU 249 Ca 0.00 -0.31 -0.00 0.00 0.08 0.00 0.00 59.36 59.13 3aek h GLU 249 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3aek h GLU 249 CO 0.00 0.92 -0.01 1.49 -2.18 0.00 0.00 179.01 179.23 3aek h GLU 250 N 0.59 -0.04 -0.53 1.92 4.81 -1.99 -1.75 114.58 117.60 3aek h GLU 250 Ca 0.10 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.44 3aek h GLU 250 Cb 0.65 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 29.93 3aek h GLU 250 CO 0.04 0.63 -0.21 0.78 -0.73 0.00 0.00 179.01 179.53 3aek h GLY 251 N -0.79 0.20 0.99 1.92 0.00 -1.64 -0.45 103.07 103.30 3aek h GLY 251 Ca -0.00 0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.56 3aek h GLY 251 CO 0.01 -0.22 0.22 -0.84 0.00 0.00 0.00 176.54 175.71 3aek h THR 252 N -0.08 1.23 0.24 4.70 2.02 -1.44 -1.61 112.91 117.96 3aek h THR 252 Ca 0.25 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 3aek h THR 252 Cb 0.47 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 3aek h THR 252 CO -0.59 0.27 -0.11 0.74 0.37 0.00 0.00 175.52 176.20 3aek h THR 253 N 0.79 0.77 -0.95 3.16 2.02 -0.75 -0.90 112.91 117.05 3aek h THR 253 Ca 0.19 -0.03 0.09 0.00 0.77 0.00 0.00 66.41 67.44 3aek h THR 253 Cb 0.21 0.79 -0.08 0.00 -1.74 0.00 0.00 68.15 67.33 3aek h THR 253 CO -0.01 0.01 0.60 -0.07 0.37 0.00 0.00 175.52 176.41 3aek h LEU 254 N -0.33 0.90 -0.30 2.58 4.07 -1.04 0.39 115.31 121.59 3aek h LEU 254 Ca -0.03 0.03 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 3aek h LEU 254 Cb 0.26 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 3aek h LEU 254 CO 0.05 0.53 -0.01 -0.25 -1.08 0.00 0.00 178.44 177.68 3aek h TRP 255 N 1.01 0.59 -0.46 1.13 7.01 -1.15 -1.80 115.95 122.28 3aek h TRP 255 Ca 0.45 -0.11 -0.07 0.00 2.11 0.00 0.00 58.89 61.27 3aek h TRP 255 Cb 0.34 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 27.23 3aek h TRP 255 CO -0.02 0.68 0.02 -0.07 -2.79 0.00 0.00 178.44 176.26 3aek h LEU 256 N 0.33 0.78 -0.99 0.65 4.07 -0.66 -2.98 115.31 116.50 3aek h LEU 256 Ca 0.08 -0.29 0.00 0.00 0.08 0.00 0.00 57.88 57.75 3aek h LEU 256 Cb 0.45 -0.21 -0.05 0.00 1.08 0.00 0.00 40.66 41.93 3aek h LEU 256 CO 0.02 0.88 0.62 0.50 -1.08 0.00 0.00 178.44 179.38 3aek h LYS 257 N 0.65 1.31 -0.50 1.13 1.63 -0.19 0.19 116.57 120.78 3aek h LYS 257 Ca 0.13 -0.10 0.01 0.00 -0.85 0.00 0.00 60.65 59.84 3aek h LYS 257 Cb 0.47 -0.29 -0.03 0.00 -0.60 0.00 0.00 32.23 31.79 3aek h LYS 257 CO 0.02 0.89 0.33 0.00 -3.45 0.00 0.00 179.45 177.24 3aek h ALA 258 N 1.35 0.64 -0.37 5.00 0.00 -1.25 0.23 119.26 124.85 3aek h ALA 258 Ca 0.36 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 3aek h ALA 258 Cb -0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3aek h ALA 258 CO -0.07 0.08 0.06 0.28 0.00 0.00 0.00 179.25 179.59 3aek h VAL 259 N 0.68 1.24 -0.08 0.00 2.07 -1.31 -1.74 116.25 117.10 3aek h VAL 259 Ca 0.18 -0.86 0.03 0.00 0.82 0.00 0.00 66.70 66.87 3aek h VAL 259 Cb -0.08 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 3aek h VAL 259 CO -0.04 0.29 -0.11 0.00 0.02 0.00 0.00 177.57 177.73 3aek h ALA 260 N 0.91 -0.05 -0.68 1.67 0.00 -0.23 -1.78 119.26 119.10 3aek h ALA 260 Ca 0.11 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3aek h ALA 260 Cb 0.37 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 3aek h ALA 260 CO 0.01 -0.58 0.45 -0.44 0.00 0.00 0.00 179.25 178.69 3aek h ASP 261 N -0.15 0.74 -0.45 0.00 3.32 -0.57 -0.67 116.42 118.65 3aek h ASP 261 Ca 0.07 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 3aek h ASP 261 Cb 0.25 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3aek h ASP 261 CO -0.17 0.53 -0.04 0.00 -1.72 0.00 0.00 179.24 177.84 3aek h ALA 262 N 1.59 0.98 -0.62 3.45 0.00 -0.63 -3.16 119.26 120.86 3aek h ALA 262 Ca 0.26 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3aek h ALA 262 Cb -0.04 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3aek h ALA 262 CO -0.06 0.62 0.00 0.66 0.00 0.00 0.00 179.25 180.46 3aek n TYR 263 N -4.18 0.83 -1.88 0.00 4.01 -0.73 -4.93 117.16 110.27 3aek n TYR 263 Ca 0.02 -0.42 -0.09 0.00 -0.16 0.00 0.00 57.90 57.26 3aek n TYR 263 Cb 0.34 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.35 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 1.53 0.35 3.72 2.72 0.00 -1.03 -4.99 105.19 107.49 3aek n GLY 264 Ca 0.21 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 3aek n GLY 264 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3aek s VAL 265 N -2.42 3.65 0.77 1.61 1.01 -0.29 -5.01 120.40 119.73 3aek s VAL 265 Ca 0.00 1.21 -0.11 0.00 0.00 0.00 0.00 61.98 63.08 3aek s VAL 265 Cb 0.00 -3.78 0.06 0.00 0.00 0.00 0.00 36.38 32.66 3aek s VAL 265 CO 0.00 0.11 1.10 -0.94 0.00 0.00 0.00 175.10 175.37 3aek s SER 266 N 0.93 4.41 0.24 3.32 1.04 -1.26 -4.60 113.70 117.78 3aek s SER 266 Ca 0.60 1.88 -0.03 0.00 0.48 0.00 0.00 55.95 58.88 3aek s SER 266 Cb -0.33 -2.53 0.27 0.00 0.10 0.00 0.00 66.02 63.53 3aek s SER 266 CO 0.31 -2.10 1.69 0.00 0.98 0.00 0.00 173.24 174.12 3aek h ALA 267 N -1.08 0.99 -0.42 5.32 0.00 -1.99 -2.45 119.26 119.63 3aek h ALA 267 Ca -0.44 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.17 3aek h ALA 267 Cb 1.24 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3aek h ALA 267 CO 0.51 0.60 0.25 0.93 0.00 0.00 0.00 179.25 181.53 3aek h GLU 268 N 0.68 0.48 -0.11 0.00 3.07 -1.99 -1.79 114.58 114.93 3aek h GLU 268 Ca 0.11 -0.03 -0.21 0.00 -0.50 0.00 0.00 59.36 58.73 3aek h GLU 268 Cb 0.60 -0.11 0.01 0.00 -0.84 0.00 0.00 28.75 28.41 3aek h GLU 268 CO 0.04 0.32 -0.79 -0.22 -1.40 0.00 0.00 179.01 176.96 3aek h LYS 269 N 0.50 0.63 0.22 2.33 3.64 -1.93 -2.39 116.57 119.56 3aek h LYS 269 Ca 0.17 -0.54 -0.00 0.00 -1.27 0.00 0.00 60.65 59.01 3aek h LYS 269 Cb 0.01 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3aek h LYS 269 CO -0.08 1.15 -0.15 0.35 -2.27 0.00 0.00 179.45 178.46 3aek h PHE 270 N 0.42 -0.39 -0.09 1.91 3.04 -1.38 -1.89 116.94 118.57 3aek h PHE 270 Ca -0.05 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.85 3aek h PHE 270 Cb 1.41 0.14 -0.01 0.00 2.56 0.00 0.00 35.95 40.05 3aek h PHE 270 CO 0.07 -0.23 -0.16 0.93 -2.02 0.00 0.00 178.31 176.90 3aek h GLU 271 N -0.37 0.14 0.02 1.11 4.39 -1.35 -2.38 114.58 116.14 3aek h GLU 271 Ca -0.02 -0.03 -0.23 0.00 0.34 0.00 0.00 59.36 59.43 3aek h GLU 271 Cb 0.32 -0.02 0.02 0.00 -0.10 0.00 0.00 28.75 28.97 3aek h GLU 271 CO 0.01 0.30 -0.90 0.00 -1.16 0.00 0.00 179.01 177.26 3aek h ALA 272 N 1.72 0.08 0.00 3.43 0.00 -1.29 -1.42 119.26 121.78 3aek h ALA 272 Ca 0.03 -0.66 -0.05 0.00 0.00 0.00 0.00 54.91 54.23 3aek h ALA 272 Cb 0.36 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3aek h ALA 272 CO 0.02 0.55 -0.23 0.28 0.00 0.00 0.00 179.25 179.87 3aek h VAL 273 N 0.16 0.84 0.00 0.00 2.07 -1.28 -3.35 116.25 114.69 3aek h VAL 273 Ca -0.12 -0.90 -0.13 0.00 0.82 0.00 0.00 66.70 66.38 3aek h VAL 273 Cb 1.58 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.86 3aek h VAL 273 CO 0.18 0.23 -1.93 0.41 0.02 0.00 0.00 177.57 176.47 3aek n THR 274 N -3.80 0.47 -0.03 2.57 -1.04 -0.90 -4.62 114.28 106.94 3aek n THR 274 Ca -0.02 -0.52 -0.10 0.00 -2.04 0.00 0.00 64.05 61.38 3aek n THR 274 Cb 0.33 -0.18 -0.03 0.00 -1.82 0.00 0.00 70.33 68.62 3aek n THR 274 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3aek h ALA 275 N 1.27 0.17 0.08 2.41 0.00 -1.40 -1.97 119.26 119.82 3aek h ALA 275 Ca -0.19 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3aek h ALA 275 Cb 1.31 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3aek h ALA 275 CO 0.01 -0.40 -0.04 0.00 0.00 0.00 0.00 179.25 178.82 3aek h ALA 276 N 1.11 -0.11 -0.73 0.00 0.00 -1.82 -2.13 119.26 115.58 3aek h ALA 276 Ca 0.07 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 54.92 3aek h ALA 276 Cb 0.06 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3aek h ALA 276 CO -0.09 -0.38 0.48 -1.35 0.00 0.00 0.00 179.25 177.92 3aek h PRO 277 N -0.49 0.47 -0.06 0.00 0.11 -1.81 -2.12 132.00 128.10 3aek h PRO 277 Ca -0.01 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 3aek h PRO 277 Cb 0.41 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.41 3aek h PRO 277 CO 0.02 0.31 -0.02 0.00 -0.21 0.00 0.00 178.00 178.10 3aek h ARG 278 N 0.49 0.12 -0.31 1.05 3.08 -1.19 -1.31 114.38 116.30 3aek h ARG 278 Ca 0.35 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.29 3aek h ARG 278 Cb 0.69 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 3aek h ARG 278 CO -0.12 0.49 -0.04 0.00 -1.07 0.00 0.00 179.97 179.23 3aek h ALA 279 N 0.63 1.35 -0.45 0.04 0.00 -1.25 -0.86 119.26 118.72 3aek h ALA 279 Ca 0.01 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 3aek h ALA 279 Cb 0.45 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3aek h ALA 279 CO 0.01 0.44 0.05 -0.09 0.00 0.00 0.00 179.25 179.66 3aek h ARG 280 N 0.47 0.76 -0.21 0.00 2.43 -1.32 -1.79 114.38 114.72 3aek h ARG 280 Ca 0.10 -0.22 -0.04 0.00 -0.81 0.00 0.00 59.98 59.01 3aek h ARG 280 Cb 0.37 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3aek h ARG 280 CO 0.02 0.79 -0.03 0.00 -1.51 0.00 0.00 179.97 179.25 3aek h ALA 281 N 0.94 0.28 -0.77 2.80 0.00 -0.91 -2.18 119.26 119.41 3aek h ALA 281 Ca 0.13 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 3aek h ALA 281 Cb 0.42 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3aek h ALA 281 CO 0.01 0.04 0.40 -0.22 0.00 0.00 0.00 179.25 179.48 3aek h LYS 282 N 0.13 1.08 -0.36 0.00 3.64 -1.15 -1.47 116.57 118.43 3aek h LYS 282 Ca 0.06 -0.13 -0.16 0.00 -1.27 0.00 0.00 60.65 59.15 3aek h LYS 282 Cb 0.45 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3aek h LYS 282 CO 0.02 0.80 -0.40 -0.22 -2.27 0.00 0.00 179.45 177.38 3aek h LYS 283 N 1.08 0.88 -0.30 1.90 3.64 -1.33 -2.54 116.57 119.90 3aek h LYS 283 Ca 0.27 -0.46 -0.06 0.00 -1.27 0.00 0.00 60.65 59.13 3aek h LYS 283 Cb 0.05 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 3aek h LYS 283 CO -0.04 1.11 -0.05 0.00 -2.27 0.00 0.00 179.45 178.19 3aek h ALA 284 N 0.83 1.36 -0.34 5.00 0.00 -0.97 -2.85 119.26 122.29 3aek h ALA 284 Ca 0.06 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 3aek h ALA 284 Cb 0.98 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3aek h ALA 284 CO 0.09 0.44 -0.41 0.82 0.00 0.00 0.00 179.25 180.19 3aek h ILE 285 N 0.45 1.28 -0.05 0.00 2.04 -1.22 -3.24 117.51 116.77 3aek h ILE 285 Ca 0.09 -1.59 0.01 0.00 1.00 0.00 0.00 64.86 64.38 3aek h ILE 285 Cb 0.38 1.45 -0.00 0.00 -0.74 0.00 0.00 36.82 37.91 3aek h ILE 285 CO 0.02 0.52 0.06 0.00 0.00 0.00 0.00 178.15 178.75 3aek h ALA 286 N 0.85 1.52 0.00 1.87 0.00 -1.20 -0.50 119.26 121.80 3aek h ALA 286 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3aek h ALA 286 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3aek h ALA 286 CO 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.26 3aek n ALA 287 N -2.28 1.33 0.12 0.00 0.00 -1.22 -2.61 120.51 115.85 3aek n ALA 287 Ca -0.02 0.12 0.02 0.00 0.00 0.00 0.00 53.44 53.56 3aek n ALA 287 Cb 0.15 -1.31 0.02 0.00 0.00 0.00 0.00 19.45 18.31 3aek n ALA 287 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3aek n HIS 288 N -2.12 0.02 -0.07 0.00 8.25 -0.20 -4.76 115.22 116.34 3aek n HIS 288 Ca 0.00 -0.07 -0.14 0.00 -0.26 0.00 0.00 57.72 57.25 3aek n HIS 288 Cb 0.12 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 31.17 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 0.73 0.75 -0.66 2.41 3.38 -1.50 -2.53 115.31 117.88 3aek h LEU 289 Ca 0.00 -0.52 0.05 0.00 0.09 0.00 0.00 57.88 57.50 3aek h LEU 289 Cb 0.22 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 3aek h LEU 289 CO 0.00 1.12 0.38 -0.33 0.09 0.00 0.00 178.44 179.70 3aek h GLU 290 N 0.40 0.69 -0.03 1.13 3.07 -1.86 0.97 114.58 118.95 3aek h GLU 290 Ca 0.02 -0.04 -0.19 0.00 -0.50 0.00 0.00 59.36 58.65 3aek h GLU 290 Cb 0.97 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.71 3aek h GLU 290 CO 0.09 0.46 -0.81 0.00 -1.40 0.00 0.00 179.01 177.35 3aek h THR 291 N 0.71 1.44 0.02 1.13 1.03 -1.90 -3.37 112.91 111.98 3aek h THR 291 Ca 0.29 -2.39 -0.30 0.00 -0.01 0.00 0.00 66.41 64.00 3aek h THR 291 Cb 0.14 2.31 -0.04 0.00 -1.07 0.00 0.00 68.15 69.49 3aek h THR 291 CO -0.16 0.70 -1.72 -0.07 -0.01 0.00 0.00 175.52 174.26 3aek h LEU 292 N 0.17 0.08 -9.71 0.00 4.07 -1.12 -3.46 115.31 105.34 3aek h LEU 292 Ca -0.04 -0.17 -0.53 0.00 0.08 0.00 0.00 57.88 57.23 3aek h LEU 292 Cb 1.40 -0.03 0.06 0.00 1.08 0.00 0.00 40.66 43.18 3aek h LEU 292 CO 0.13 1.15 0.90 -0.89 -1.08 0.00 0.00 178.44 178.65 3aek s THR 293 N -2.60 2.28 0.00 0.22 2.01 0.31 -2.38 115.64 115.47 3aek s THR 293 Ca -0.07 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.14 3aek s THR 293 Cb 0.08 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.45 3aek s THR 293 CO 0.82 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 175.38 3aek n GLY 294 N 2.99 2.20 3.73 4.40 0.00 0.81 -4.95 105.19 114.36 3aek n GLY 294 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.15 4.57 0.37 1.61 3.01 -1.00 -4.64 119.74 123.50 3aek s LYS 295 Ca 0.00 1.64 -0.23 0.00 -1.01 0.00 0.00 55.97 56.37 3aek s LYS 295 Cb 0.00 -3.34 -0.10 0.00 -1.01 0.00 0.00 37.83 33.38 3aek s LYS 295 CO 0.00 -0.00 0.94 -1.54 0.51 0.00 0.00 175.35 175.25 3aek s SER 296 N 0.36 7.14 -0.04 2.83 1.04 -1.26 -0.16 113.70 123.61 3aek s SER 296 Ca 0.52 1.75 0.04 0.00 0.48 0.00 0.00 55.95 58.74 3aek s SER 296 Cb -0.27 -2.55 -0.00 0.00 0.10 0.00 0.00 66.02 63.29 3aek s SER 296 CO 0.32 -0.20 -0.16 -0.22 0.98 0.00 0.00 173.24 173.96 3aek s LEU 297 N -2.57 1.90 -0.06 2.42 2.96 0.18 -1.19 118.68 122.32 3aek s LEU 297 Ca 0.55 -0.34 0.03 0.00 -0.22 0.00 0.00 54.13 54.15 3aek s LEU 297 Cb -0.14 -0.94 0.01 0.00 0.50 0.00 0.00 46.19 45.62 3aek s LEU 297 CO 0.19 0.14 -0.14 0.12 -1.32 0.00 0.00 176.35 175.34 3aek s PHE 298 N 0.07 1.53 -0.17 5.38 5.36 -0.10 -1.03 117.98 129.02 3aek s PHE 298 Ca -0.04 -0.53 0.01 0.00 -0.96 0.00 0.00 56.93 55.41 3aek s PHE 298 Cb -0.11 -1.09 0.03 0.00 -0.34 0.00 0.00 43.02 41.50 3aek s PHE 298 CO 0.02 -0.24 -0.16 -1.64 -1.46 0.00 0.00 175.22 171.74 3aek s MET 299 N 0.46 2.56 0.57 10.12 -1.94 -0.53 -0.24 119.30 130.30 3aek s MET 299 Ca -0.11 -0.75 -0.16 0.00 -1.71 0.00 0.00 55.69 52.95 3aek s MET 299 Cb -0.14 -2.39 -0.05 0.00 2.01 0.00 0.00 34.83 34.26 3aek s MET 299 CO 0.03 -0.27 1.04 -0.06 -0.01 0.00 0.00 175.02 175.76 3aek s PHE 300 N 1.37 3.06 0.06 -0.03 0.08 0.21 -1.09 117.98 121.65 3aek s PHE 300 Ca 0.03 1.51 -0.30 0.00 0.12 0.00 0.00 56.93 58.29 3aek s PHE 300 Cb -0.14 -2.98 -0.05 0.00 -0.57 0.00 0.00 43.02 39.28 3aek s PHE 300 CO -0.11 -0.97 1.00 -1.25 -0.10 0.00 0.00 175.22 173.79 3aek s PRO 301 N -3.98 4.61 0.00 0.24 0.04 -1.24 -4.71 135.00 129.96 3aek s PRO 301 Ca 0.63 1.48 0.00 0.00 0.04 0.00 0.00 61.00 63.16 3aek s PRO 301 Cb -0.15 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 30.99 3aek s PRO 301 CO 0.34 0.05 0.00 -0.25 0.04 0.00 0.00 177.00 177.18 3aek n ASP 302 N 3.32 0.00 0.00 6.66 8.00 -1.26 -4.80 116.55 128.47 3aek n ASP 302 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.54 3aek n ASP 302 Cb 0.49 0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 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 -2.04 0.11 0.00 -2.24 3.41 -1.26 -4.55 113.62 107.05 3aek n SER 303 Ca 0.00 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 3aek n SER 303 Cb 0.00 0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 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 -0.14 -0.00 0.00 4.33 6.02 -1.26 -4.69 117.38 121.64 3aek n GLN 304 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.13 3aek n GLN 304 Cb 0.00 -2.54 0.63 0.00 1.02 0.00 0.00 30.24 29.35 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 0.15 0.04 1.08 4.32 -1.26 -4.36 117.00 116.97 3aek n LEU 305 Ca 0.00 0.27 -0.11 0.00 -0.02 0.00 0.00 56.01 56.15 3aek n LEU 305 Cb 0.00 -0.33 -0.05 0.00 -1.62 0.00 0.00 43.42 41.42 3aek n LEU 305 CO 0.00 0.03 0.78 -0.33 -1.22 0.00 0.00 177.39 176.65 3aek h GLU 306 N 0.12 -0.19 0.39 3.23 3.07 -1.90 -0.89 114.58 118.41 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 0.40 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 3aek h GLU 306 CO 0.00 -0.13 -0.19 0.82 -1.40 0.00 0.00 179.01 178.12 3aek h ILE 307 N -0.20 0.62 -0.49 3.13 2.04 -1.89 0.26 117.51 120.98 3aek h ILE 307 Ca 0.05 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.82 3aek h ILE 307 Cb 0.27 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 3aek h ILE 307 CO -0.14 0.01 0.11 -0.65 0.00 0.00 0.00 178.15 177.48 3aek h PRO 308 N -0.55 0.75 -0.24 2.37 0.11 -1.82 0.09 132.00 132.72 3aek h PRO 308 Ca -0.05 -0.15 -0.17 0.00 0.11 0.00 0.00 66.00 65.74 3aek h PRO 308 Cb 0.42 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.41 3aek h PRO 308 CO 0.09 0.69 -0.50 -0.07 -0.21 0.00 0.00 178.00 178.00 3aek h LEU 309 N 0.73 0.85 -0.66 2.35 3.38 -1.09 -1.71 115.31 119.16 3aek h LEU 309 Ca 0.16 -0.55 0.05 0.00 0.09 0.00 0.00 57.88 57.63 3aek h LEU 309 Cb 0.29 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 3aek h LEU 309 CO -0.00 1.24 0.39 0.00 0.09 0.00 0.00 178.44 180.16 3aek h ALA 310 N 0.63 0.88 -0.68 1.53 0.00 -0.30 -0.21 119.26 121.11 3aek h ALA 310 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3aek h ALA 310 Cb 1.11 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 3aek h ALA 310 CO 0.11 0.10 0.42 -0.09 0.00 0.00 0.00 179.25 179.79 3aek h ARG 311 N 0.74 0.80 -0.51 0.00 1.12 -0.91 -1.37 114.38 114.23 3aek h ARG 311 Ca 0.28 -0.05 -0.12 0.00 -1.11 0.00 0.00 59.98 58.98 3aek h ARG 311 Cb 0.11 -0.18 -0.02 0.00 -0.01 0.00 0.00 29.97 29.88 3aek h ARG 311 CO -0.15 0.53 -0.15 0.35 -3.11 0.00 0.00 179.97 177.43 3aek h PHE 312 N 0.82 1.14 -0.14 2.20 3.57 -0.91 -2.06 116.94 121.55 3aek h PHE 312 Ca 0.28 -0.25 -0.12 0.00 3.53 0.00 0.00 57.97 61.40 3aek h PHE 312 Cb 0.04 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 3aek h PHE 312 CO -0.05 1.07 -0.45 -0.07 -2.23 0.00 0.00 178.31 176.58 3aek h LEU 313 N 0.88 0.37 -0.01 0.59 3.38 -0.81 -0.91 115.31 118.81 3aek h LEU 313 Ca 0.13 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3aek h LEU 313 Cb 0.73 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3aek h LEU 313 CO 0.06 0.78 -0.21 0.00 0.09 0.00 0.00 178.44 179.16 3aek h ALA 314 N 1.24 0.04 0.11 1.53 0.00 -1.26 0.01 119.26 120.92 3aek h ALA 314 Ca 0.02 -0.45 -0.28 0.00 0.00 0.00 0.00 54.91 54.21 3aek h ALA 314 Cb 0.91 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3aek h ALA 314 CO 0.08 0.05 -1.32 0.00 0.00 0.00 0.00 179.25 178.06 3aek h ARG 315 N -0.51 0.24 0.00 0.00 3.08 -1.39 -2.84 114.38 112.96 3aek h ARG 315 Ca -0.02 -0.40 -0.02 0.00 0.07 0.00 0.00 59.98 59.61 3aek h ARG 315 Cb 0.95 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 31.15 3aek h ARG 315 CO 0.04 1.15 -1.67 0.39 -1.07 0.00 0.00 179.97 178.82 3aek n GLU 316 N -3.48 0.52 -0.02 0.04 1.02 -0.35 -4.61 120.64 113.76 3aek n GLU 316 Ca -0.10 -0.12 0.03 0.00 -0.02 0.00 0.00 57.16 56.94 3aek n GLU 316 Cb 1.02 -1.34 0.03 0.00 -0.02 0.00 0.00 31.44 31.14 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 0.25 1.16 3.85 0.00 0.00 -0.94 -3.14 105.19 106.37 3aek n GLY 318 Ca 0.04 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.23 2.93 -0.24 1.61 -1.94 -0.05 -0.13 119.30 118.24 3aek s MET 319 Ca 0.00 0.69 -0.03 0.00 -1.71 0.00 0.00 55.69 54.64 3aek s MET 319 Cb 0.00 -2.01 0.01 0.00 2.01 0.00 0.00 34.83 34.84 3aek s MET 319 CO 0.00 -1.04 -0.05 0.15 -0.01 0.00 0.00 175.02 174.07 3aek s LYS 320 N -5.20 3.03 0.52 2.03 1.02 0.77 -4.32 119.74 117.58 3aek s LYS 320 Ca 0.58 -0.85 -0.21 0.00 0.02 0.00 0.00 55.97 55.50 3aek s LYS 320 Cb -0.12 -3.00 -0.06 0.00 -0.52 0.00 0.00 37.83 34.13 3aek s LYS 320 CO 0.54 -0.33 1.20 0.95 -0.92 0.00 0.00 175.35 176.79 3aek s THR 321 N 1.38 2.85 0.00 2.17 -4.23 -1.26 0.51 115.64 117.06 3aek s THR 321 Ca 0.02 0.59 0.00 0.00 -1.18 0.00 0.00 61.69 61.13 3aek s THR 321 Cb -0.16 -3.28 0.00 0.00 1.34 0.00 0.00 72.50 70.40 3aek s THR 321 CO -0.04 -0.05 0.00 0.35 -0.54 0.00 0.00 174.62 174.34 3aek n THR 322 N -0.94 0.00 -4.29 3.99 -2.24 -0.19 -4.76 114.28 105.84 3aek n THR 322 Ca 0.10 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.54 3aek n THR 322 Cb 0.48 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.60 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 0.49 3.74 -0.23 -0.78 2.12 -1.26 -1.05 118.70 121.73 3aek s GLU 323 Ca 0.00 -0.47 0.01 0.00 0.36 0.00 0.00 54.97 54.87 3aek s GLU 323 Cb 0.00 -2.99 0.04 0.00 0.26 0.00 0.00 34.13 31.43 3aek s GLU 323 CO 0.00 0.27 -0.13 0.42 -0.54 0.00 0.00 175.26 175.28 3aek s ILE 324 N 0.31 2.31 0.04 -3.70 -1.09 -0.10 -1.45 121.20 117.53 3aek s ILE 324 Ca -0.02 -1.21 0.04 0.00 -2.23 0.00 0.00 60.65 57.23 3aek s ILE 324 Cb -0.14 -2.17 -0.04 0.00 -1.58 0.00 0.00 42.46 38.54 3aek s ILE 324 CO 0.02 0.24 -0.06 0.00 -1.23 0.00 0.00 174.94 173.92 3aek s ALA 325 N 1.23 3.07 0.01 9.38 0.00 -0.25 -1.98 121.76 133.23 3aek s ALA 325 Ca -0.01 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 50.88 3aek s ALA 325 Cb -0.16 -1.11 -0.01 0.00 0.00 0.00 0.00 23.12 21.83 3aek s ALA 325 CO -0.08 0.64 -0.03 -0.08 0.00 0.00 0.00 175.76 176.21 3aek s THR 326 N -1.10 0.17 0.33 0.00 -1.32 0.37 -3.71 115.64 110.38 3aek s THR 326 Ca 0.20 -0.47 0.06 0.00 -1.21 0.00 0.00 61.69 60.26 3aek s THR 326 Cb -0.11 -0.22 0.11 0.00 -1.51 0.00 0.00 72.50 70.77 3aek s THR 326 CO 0.11 -0.20 1.82 -0.65 -2.21 0.00 0.00 174.62 173.49 3aek h PRO 327 N 5.42 0.39 -3.06 7.08 0.11 -1.86 0.74 132.00 140.82 3aek h PRO 327 Ca -0.29 -0.12 -0.17 0.00 0.11 0.00 0.00 66.00 65.54 3aek h PRO 327 Cb 1.21 -0.04 -0.27 0.00 0.11 0.00 0.00 31.00 32.01 3aek h PRO 327 CO 0.46 0.55 -0.43 0.12 -0.21 0.00 0.00 178.00 178.50 3aek s PHE 328 N -4.65 -0.31 -0.48 0.65 5.36 -1.26 -3.86 117.98 113.43 3aek s PHE 328 Ca -0.06 0.75 0.03 0.00 -0.96 0.00 0.00 56.93 56.68 3aek s PHE 328 Cb 0.15 0.09 0.13 0.00 -0.34 0.00 0.00 43.02 43.04 3aek s PHE 328 CO 0.76 -0.17 0.23 -1.17 -1.46 0.00 0.00 175.22 173.41 3aek s LEU 329 N 0.52 4.57 -0.39 6.12 2.96 -1.26 -4.84 118.68 126.36 3aek s LEU 329 Ca -0.03 -2.75 -0.29 0.00 -0.22 0.00 0.00 54.13 50.85 3aek s LEU 329 Cb -0.05 -1.67 0.00 0.00 0.50 0.00 0.00 46.19 44.97 3aek s LEU 329 CO -0.03 -0.30 1.54 -2.28 -1.32 0.00 0.00 176.35 173.96 3aek s HIS 330 N 0.09 2.20 0.06 5.38 5.65 -1.26 -4.91 115.29 122.49 3aek s HIS 330 Ca 0.15 0.65 -0.20 0.00 0.25 0.00 0.00 55.06 55.91 3aek s HIS 330 Cb -0.23 -4.26 -0.12 0.00 -1.18 0.00 0.00 32.58 26.79 3aek s HIS 330 CO -0.03 -2.30 1.44 -0.22 -0.65 0.00 0.00 174.74 172.98 3aek h LYS 331 N 11.44 0.35 -0.22 2.88 1.63 -1.97 -0.83 116.57 129.86 3aek h LYS 331 Ca -0.29 -0.14 0.01 0.00 -0.85 0.00 0.00 60.65 59.38 3aek h LYS 331 Cb 1.13 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.72 3aek h LYS 331 CO 1.07 0.63 0.10 0.00 -3.45 0.00 0.00 179.45 177.80 3aek h ALA 332 N 0.71 0.26 -0.20 5.00 0.00 -2.00 -1.01 119.26 122.03 3aek h ALA 332 Ca 0.04 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3aek h ALA 332 Cb 0.50 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3aek h ALA 332 CO 0.02 -0.31 -0.25 0.82 0.00 0.00 0.00 179.25 179.53 3aek h ILE 333 N 0.23 1.25 -0.01 0.00 2.04 -1.95 -3.08 117.51 115.99 3aek h ILE 333 Ca 0.09 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.75 3aek h ILE 333 Cb 0.03 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 3aek h ILE 333 CO -0.07 0.37 -0.26 0.80 0.00 0.00 0.00 178.15 178.99 3aek n MET 334 N -4.14 1.21 -0.11 2.37 1.56 -0.32 -4.47 117.12 113.23 3aek n MET 334 Ca -0.01 -0.85 -0.05 0.00 -0.27 0.00 0.00 57.70 56.52 3aek n MET 334 Cb 0.38 -1.48 0.02 0.00 2.15 0.00 0.00 33.22 34.30 3aek n MET 334 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3aek h ALA 335 N 3.94 0.39 -0.73 -5.12 0.00 -1.09 0.10 119.26 116.75 3aek h ALA 335 Ca 0.00 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3aek h ALA 335 Cb 0.63 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 3aek h ALA 335 CO 0.00 -0.35 0.45 -1.35 0.00 0.00 0.00 179.25 178.00 3aek h PRO 336 N 0.17 0.86 -0.26 0.00 0.11 -1.81 -1.68 132.00 129.38 3aek h PRO 336 Ca 0.18 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 66.10 3aek h PRO 336 Cb 0.23 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 3aek h PRO 336 CO -0.26 0.57 -0.43 -0.44 -0.21 0.00 0.00 178.00 177.23 3aek h ASP 337 N 0.88 0.70 -0.08 -2.05 5.19 -1.75 -3.05 116.42 116.26 3aek h ASP 337 Ca 0.30 -0.33 -0.04 0.00 -0.62 0.00 0.00 57.03 56.34 3aek h ASP 337 Cb 0.04 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.34 3aek h ASP 337 CO -0.12 1.04 -0.06 -0.07 -3.12 0.00 0.00 179.24 176.91 3aek h LEU 338 N 0.53 0.30 -0.71 1.55 3.38 -0.80 -1.78 115.31 117.79 3aek h LEU 338 Ca 0.04 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3aek h LEU 338 Cb 0.96 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3aek h LEU 338 CO 0.09 0.41 0.00 0.00 0.09 0.00 0.00 178.44 179.03 3aek n ALA 339 N -2.49 1.61 0.35 1.53 0.00 -0.65 0.01 120.51 120.88 3aek n ALA 339 Ca 0.00 0.09 0.05 0.00 0.00 0.00 0.00 53.44 53.58 3aek n ALA 339 Cb 0.24 -1.37 -0.07 0.00 0.00 0.00 0.00 19.45 18.25 3aek n ALA 339 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3aek n LEU 340 N -2.19 0.35 -4.77 0.00 4.77 -0.73 -3.47 117.00 110.96 3aek n LEU 340 Ca 0.02 -0.35 -0.40 0.00 -0.03 0.00 0.00 56.01 55.24 3aek n LEU 340 Cb 0.21 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.28 3aek n LEU 340 CO 0.19 0.09 0.93 -0.76 -1.33 0.00 0.00 177.39 176.50 3aek s LEU 341 N -2.88 4.42 0.25 2.23 1.43 -0.85 -4.52 118.68 118.76 3aek s LEU 341 Ca 0.02 2.58 -0.31 0.00 -1.03 0.00 0.00 54.13 55.39 3aek s LEU 341 Cb 0.08 -3.69 -0.13 0.00 0.03 0.00 0.00 46.19 42.47 3aek s LEU 341 CO 0.44 -0.50 1.41 -2.65 0.23 0.00 0.00 176.35 175.29 3aek n PRO 342 N 0.76 2.08 0.00 1.29 -0.02 -1.26 0.15 135.00 138.00 3aek n PRO 342 Ca 0.00 0.74 0.07 0.00 -2.02 0.00 0.00 63.50 62.30 3aek n PRO 342 Cb 0.43 -2.40 0.33 0.00 -0.02 0.00 0.00 33.50 31.84 3aek n PRO 342 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3aek n SER 343 N 2.07 0.00 0.17 2.55 3.41 -0.80 -2.03 113.62 118.99 3aek n SER 343 Ca 0.11 0.49 0.13 0.00 -0.26 0.00 0.00 58.87 59.34 3aek n SER 343 Cb 0.32 -0.50 0.39 0.00 -0.26 0.00 0.00 64.21 64.17 3aek n SER 343 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3aek h ASN 344 N 0.00 0.00 -2.54 4.04 -1.07 -1.89 -3.47 115.58 110.65 3aek h ASN 344 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 56.30 55.84 3aek h ASN 344 Cb 0.26 0.00 0.04 0.00 -2.07 0.00 0.00 38.32 36.55 3aek h ASN 344 CO 0.00 0.00 1.11 -0.89 0.07 0.00 0.00 177.43 177.72 3aek s THR 345 N -3.25 2.60 -0.35 6.14 2.01 -0.86 -4.95 115.64 116.98 3aek s THR 345 Ca 0.07 0.08 -0.26 0.00 0.31 0.00 0.00 61.69 61.89 3aek s THR 345 Cb 0.09 -3.05 0.01 0.00 0.01 0.00 0.00 72.50 69.56 3aek s THR 345 CO 0.57 -0.00 0.94 0.00 -0.69 0.00 0.00 174.62 175.44 3aek s ALA 346 N 2.84 3.43 -0.08 7.40 0.00 -0.22 -4.98 121.76 130.16 3aek s ALA 346 Ca 0.81 -0.37 -0.11 0.00 0.00 0.00 0.00 51.96 52.29 3aek s ALA 346 Cb -0.45 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.08 3aek s ALA 346 CO 0.36 -1.55 0.26 -0.51 0.00 0.00 0.00 175.76 174.33 3aek s LEU 347 N 3.46 4.40 -0.04 0.00 1.43 -1.26 -0.92 118.68 125.75 3aek s LEU 347 Ca 0.39 0.66 0.01 0.00 -1.03 0.00 0.00 54.13 54.17 3aek s LEU 347 Cb -0.12 -2.31 0.02 0.00 0.03 0.00 0.00 46.19 43.81 3aek s LEU 347 CO 0.18 0.33 -0.06 -0.89 0.23 0.00 0.00 176.35 176.14 3aek s THR 348 N -0.82 0.63 -0.20 5.49 2.01 -0.84 -1.12 115.64 120.80 3aek s THR 348 Ca 0.18 -0.19 -0.04 0.00 0.31 0.00 0.00 61.69 61.95 3aek s THR 348 Cb -0.14 -0.62 -0.02 0.00 0.01 0.00 0.00 72.50 71.73 3aek s THR 348 CO 0.07 0.24 -0.02 -0.70 -0.69 0.00 0.00 174.62 173.52 3aek s GLU 349 N 0.78 3.54 1.32 4.92 2.12 0.14 -0.48 118.70 131.04 3aek s GLU 349 Ca -0.11 -0.56 0.00 0.00 0.36 0.00 0.00 54.97 54.65 3aek s GLU 349 Cb -0.14 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.24 3aek s GLU 349 CO 0.01 -0.01 0.00 0.41 -0.54 0.00 0.00 175.26 175.13 3aek n GLY 350 N 4.28 -0.30 3.65 -1.50 0.00 0.25 -1.26 105.19 110.32 3aek n GLY 350 Ca -0.17 -1.52 -0.03 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 0.07 -0.27 1.61 0.74 -0.47 -4.61 119.66 116.72 3aek s GLN 351 Ca 0.00 0.08 0.02 0.00 0.05 0.00 0.00 55.36 55.51 3aek s GLN 351 Cb 0.00 0.03 0.07 0.00 1.10 0.00 0.00 33.01 34.21 3aek s GLN 351 CO 0.00 -0.01 -0.03 0.34 -0.55 0.00 0.00 175.29 175.04 3aek s ASP 352 N 0.03 4.20 0.15 6.67 2.15 -1.26 -2.97 116.67 125.64 3aek s ASP 352 Ca 0.07 -1.47 -0.20 0.00 0.43 0.00 0.00 52.55 51.39 3aek s ASP 352 Cb -0.05 -1.33 0.03 0.00 -0.30 0.00 0.00 42.92 41.27 3aek s ASP 352 CO -0.16 -0.27 1.66 0.25 -0.17 0.00 0.00 175.17 176.49 3aek h LEU 353 N 7.85 -0.46 -0.37 -1.34 5.85 -1.23 0.12 115.31 125.73 3aek h LEU 353 Ca -0.15 0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.58 3aek h LEU 353 Cb 1.05 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 3aek h LEU 353 CO 0.45 -0.17 -0.15 -0.33 -0.34 0.00 0.00 178.44 177.90 3aek h GLU 354 N -0.10 0.76 -0.75 1.25 4.39 -1.98 0.70 114.58 118.84 3aek h GLU 354 Ca 0.14 -0.32 -0.03 0.00 0.34 0.00 0.00 59.36 59.49 3aek h GLU 354 Cb 0.32 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 3aek h GLU 354 CO -0.33 0.93 0.34 0.00 -1.16 0.00 0.00 179.01 178.79 3aek h ALA 355 N 0.80 0.97 -0.33 3.43 0.00 -1.91 -0.74 119.26 121.49 3aek h ALA 355 Ca 0.09 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 3aek h ALA 355 Cb 0.69 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3aek h ALA 355 CO 0.05 0.55 -0.37 0.37 0.00 0.00 0.00 179.25 179.85 3aek h GLN 356 N 1.07 0.77 -0.42 0.00 4.15 -0.55 -1.96 115.11 118.17 3aek h GLN 356 Ca 0.26 -0.39 -0.08 0.00 0.77 0.00 0.00 58.65 59.21 3aek h GLN 356 Cb 0.15 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 3aek h GLN 356 CO -0.03 1.01 -0.07 -0.07 -1.93 0.00 0.00 178.83 177.74 3aek h LEU 357 N 0.63 0.70 -0.28 -2.39 3.38 -0.76 -1.40 115.31 115.20 3aek h LEU 357 Ca 0.06 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.86 3aek h LEU 357 Cb 0.92 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 3aek h LEU 357 CO 0.08 0.82 0.13 0.44 0.09 0.00 0.00 178.44 180.00 3aek h ASP 358 N 0.66 0.18 -0.88 -0.43 3.32 -0.90 -0.43 116.42 117.93 3aek h ASP 358 Ca 0.12 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3aek h ASP 358 Cb 0.52 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 40.01 3aek h ASP 358 CO 0.03 0.14 0.56 0.03 -1.72 0.00 0.00 179.24 178.28 3aek h ARG 359 N 0.27 1.18 -0.51 3.56 3.08 -1.27 -2.48 114.38 118.22 3aek h ARG 359 Ca 0.12 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3aek h ARG 359 Cb 0.05 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 29.81 3aek h ARG 359 CO -0.09 0.81 0.33 1.25 -1.07 0.00 0.00 179.97 181.20 3aek h HIS 360 N 1.21 0.65 -0.55 3.04 2.76 -0.96 -1.56 115.15 119.74 3aek h HIS 360 Ca 0.32 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.50 3aek h HIS 360 Cb -0.09 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 28.62 3aek h HIS 360 CO -0.00 0.43 0.33 1.49 -1.30 0.00 0.00 177.93 178.88 3aek h GLU 361 N 0.69 0.75 -0.04 5.26 4.22 -0.89 -1.40 114.58 123.17 3aek h GLU 361 Ca 0.19 -0.07 -0.12 0.00 0.08 0.00 0.00 59.36 59.44 3aek h GLU 361 Cb -0.05 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 3aek h GLU 361 CO -0.04 0.54 -0.53 0.00 -2.18 0.00 0.00 179.01 176.81 3aek h ALA 362 N 1.16 1.06 -0.25 2.92 0.00 -1.27 -3.10 119.26 119.78 3aek h ALA 362 Ca 0.20 -0.48 -0.14 0.00 0.00 0.00 0.00 54.91 54.48 3aek h ALA 362 Cb -0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3aek h ALA 362 CO -0.04 0.67 -0.40 0.82 0.00 0.00 0.00 179.25 180.30 3aek h ILE 363 N 0.08 1.30 -5.77 0.00 2.04 -1.00 -3.49 117.51 110.68 3aek h ILE 363 Ca -0.00 -1.60 -0.33 0.00 1.00 0.00 0.00 64.86 63.93 3aek h ILE 363 Cb 0.96 1.71 0.15 0.00 -0.74 0.00 0.00 36.82 38.89 3aek h ILE 363 CO 0.07 0.51 -0.88 -3.20 0.00 0.00 0.00 178.15 174.66 3aek n ASN 364 N -4.19 -5.41 -4.81 1.72 5.15 -0.55 -4.96 115.26 102.21 3aek n ASN 364 Ca -0.05 -0.81 -0.33 0.00 -0.60 0.00 0.00 54.58 52.79 3aek n ASN 364 Cb 0.54 -4.51 -0.01 0.00 -0.53 0.00 0.00 39.78 35.27 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 -5.11 3.52 0.15 1.20 0.04 -1.26 -4.97 135.00 128.57 3aek s PRO 365 Ca 0.39 1.20 -0.11 0.00 0.04 0.00 0.00 61.00 62.52 3aek s PRO 365 Cb -0.09 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.40 3aek s PRO 365 CO 0.79 -0.65 1.56 -0.44 0.04 0.00 0.00 177.00 178.30 3aek h ASP 366 N 0.74 0.97 -3.52 6.66 3.32 -1.90 -3.44 116.42 119.25 3aek h ASP 366 Ca -0.47 -0.37 -0.41 0.00 0.02 0.00 0.00 57.03 55.80 3aek h ASP 366 Cb 1.21 -0.26 -0.33 0.00 0.22 0.00 0.00 39.33 40.17 3aek h ASP 366 CO 0.58 1.11 -0.77 -0.22 -1.72 0.00 0.00 179.24 178.22 3aek s LEU 367 N -9.19 1.44 -0.18 1.55 2.96 -0.33 -4.15 118.68 110.77 3aek s LEU 367 Ca -0.12 -0.14 0.00 0.00 -0.22 0.00 0.00 54.13 53.66 3aek s LEU 367 Cb 0.12 -0.45 0.01 0.00 0.50 0.00 0.00 46.19 46.37 3aek s LEU 367 CO 0.85 -0.03 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.79 3aek s THR 368 N 0.75 2.31 -0.19 3.68 2.01 -0.47 -0.93 115.64 122.81 3aek s THR 368 Ca -0.10 -0.86 -0.20 0.00 0.31 0.00 0.00 61.69 60.84 3aek s THR 368 Cb -0.13 -1.99 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 3aek s THR 368 CO 0.00 0.52 0.60 -0.69 -0.69 0.00 0.00 174.62 174.37 3aek s VAL 369 N 1.27 5.05 0.31 3.82 1.01 0.66 0.08 120.40 132.60 3aek s VAL 369 Ca 0.04 1.14 -0.14 0.00 0.00 0.00 0.00 61.98 63.02 3aek s VAL 369 Cb -0.13 -3.92 0.02 0.00 0.00 0.00 0.00 36.38 32.34 3aek s VAL 369 CO -0.10 0.14 0.62 0.00 0.00 0.00 0.00 175.10 175.76 3aek s GLY 371 N -3.04 1.69 0.54 0.00 0.00 -1.26 0.17 107.32 105.42 3aek s GLY 371 Ca 0.19 -0.96 0.34 0.00 0.00 0.00 0.00 44.72 44.29 3aek s GLY 371 CO 0.11 -0.35 2.00 1.41 0.00 0.00 0.00 173.10 176.27 3aek h LEU 372 N -1.27 0.00 -0.69 0.66 4.07 -1.97 -0.81 115.31 115.29 3aek h LEU 372 Ca -0.45 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.43 3aek h LEU 372 Cb 1.28 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.01 3aek h LEU 372 CO 0.52 0.00 -0.37 1.23 -1.08 0.00 0.00 178.44 178.73 3aek h GLY 373 N 1.89 0.00 0.00 0.83 0.00 -1.96 -3.35 103.07 100.47 3aek h GLY 373 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 3aek h GLY 373 CO 0.00 0.00 -2.13 1.04 0.00 0.00 0.00 176.54 175.45 3aek n LEU 374 N -3.40 0.00 0.09 3.11 4.32 -0.94 -4.69 117.00 115.49 3aek n LEU 374 Ca 0.01 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.91 3aek n LEU 374 Cb 0.56 0.34 -0.05 0.00 -1.62 0.00 0.00 43.42 42.65 3aek n LEU 374 CO 0.37 0.34 0.51 0.00 -1.22 0.00 0.00 177.39 177.39 3aek h ALA 375 N 1.04 -0.85 -0.61 -1.18 0.00 -1.30 -0.01 119.26 116.36 3aek h ALA 375 Ca -0.38 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3aek h ALA 375 Cb 1.83 0.61 -0.03 0.00 0.00 0.00 0.00 17.79 20.20 3aek h ALA 375 CO 0.02 -0.89 0.39 -0.91 0.00 0.00 0.00 179.25 177.85 3aek h ASN 376 N -0.43 0.71 -0.87 0.00 2.35 -1.87 0.47 115.58 115.93 3aek h ASN 376 Ca -0.01 -0.04 0.16 0.00 -0.55 0.00 0.00 56.30 55.86 3aek h ASN 376 Cb 0.41 -0.18 -0.10 0.00 0.05 0.00 0.00 38.32 38.50 3aek h ASN 376 CO -0.10 0.54 0.45 -0.65 -1.65 0.00 0.00 177.43 176.02 3aek h PRO 377 N 0.82 0.60 -0.22 0.81 0.11 -1.82 -0.92 132.00 131.38 3aek h PRO 377 Ca 0.22 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 66.11 3aek h PRO 377 Cb -0.06 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 30.92 3aek h PRO 377 CO -0.04 0.39 -0.58 -0.07 -0.21 0.00 0.00 178.00 177.49 3aek h LEU 378 N 0.61 0.89 -0.69 2.35 4.07 -0.44 -3.07 115.31 119.03 3aek h LEU 378 Ca 0.49 -0.57 0.08 0.00 0.08 0.00 0.00 57.88 57.96 3aek h LEU 378 Cb 0.73 -0.26 -0.07 0.00 1.08 0.00 0.00 40.66 42.15 3aek h LEU 378 CO -0.38 1.30 0.35 -0.33 -1.08 0.00 0.00 178.44 178.30 3aek h GLU 379 N 0.52 0.60 0.00 1.13 4.39 -0.69 -1.11 114.58 119.42 3aek h GLU 379 Ca -0.01 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 3aek h GLU 379 Cb 1.19 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 3aek h GLU 379 CO 0.13 0.39 -0.03 0.00 -1.16 0.00 0.00 179.01 178.34 3aek h ALA 380 N 1.40 1.12 -0.58 3.43 0.00 -1.14 -1.22 119.26 122.28 3aek h ALA 380 Ca 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3aek h ALA 380 Cb 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3aek h ALA 380 CO -0.25 0.04 0.00 1.63 0.00 0.00 0.00 179.25 180.67 3aek n LYS 381 N -3.30 2.56 -0.71 0.00 4.76 -0.73 -4.93 118.16 115.81 3aek n LYS 381 Ca -0.02 -2.17 0.00 0.00 -2.87 0.00 0.00 58.31 53.26 3aek n LYS 381 Cb 0.16 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 3aek n LYS 381 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3aek n GLY 382 N 1.33 0.63 3.63 0.72 0.00 -0.46 -5.05 105.19 105.99 3aek n GLY 382 Ca 0.20 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 3.28 0.08 1.61 3.76 -0.50 -4.99 115.29 116.52 3aek s HIS 383 Ca 0.00 0.21 -0.31 0.00 -0.15 0.00 0.00 55.06 54.81 3aek s HIS 383 Cb 0.00 -2.34 -0.07 0.00 1.11 0.00 0.00 32.58 31.28 3aek s HIS 383 CO 0.00 -0.04 1.36 0.00 -0.85 0.00 0.00 174.74 175.21 3aek s ALA 384 N 1.39 3.55 0.20 -1.40 0.00 -1.26 -3.17 121.76 121.07 3aek s ALA 384 Ca 0.08 1.02 0.10 0.00 0.00 0.00 0.00 51.96 53.16 3aek s ALA 384 Cb -0.15 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 3aek s ALA 384 CO 0.07 -0.64 -0.17 0.95 0.00 0.00 0.00 175.76 175.97 3aek s THR 385 N 1.38 2.73 -0.25 0.00 -4.23 -1.26 -1.36 115.64 112.64 3aek s THR 385 Ca 0.63 -1.92 0.01 0.00 -1.18 0.00 0.00 61.69 59.23 3aek s THR 385 Cb -0.34 -2.34 0.07 0.00 1.34 0.00 0.00 72.50 71.22 3aek s THR 385 CO 0.29 -0.15 -0.02 -0.75 -0.54 0.00 0.00 174.62 173.45 3aek s LYS 386 N -2.84 1.42 0.12 3.99 2.36 0.11 -4.77 119.74 120.13 3aek s LYS 386 Ca 0.24 -1.03 -0.31 0.00 -2.55 0.00 0.00 55.97 52.32 3aek s LYS 386 Cb -0.08 -2.53 -0.09 0.00 -1.05 0.00 0.00 37.83 34.07 3aek s LYS 386 CO 0.13 -0.67 1.64 1.67 1.55 0.00 0.00 175.35 179.66 3aek s TRP 387 N 1.42 2.68 0.32 4.03 1.48 -1.26 -2.42 118.94 125.19 3aek s TRP 387 Ca -0.02 0.41 0.11 0.00 -1.06 0.00 0.00 56.10 55.54 3aek s TRP 387 Cb -0.19 -3.98 0.55 0.00 -1.16 0.00 0.00 33.47 28.69 3aek s TRP 387 CO -0.09 -3.81 1.73 0.00 -4.06 0.00 0.00 176.95 170.72 3aek h ALA 388 N 7.65 1.19 -0.88 2.67 0.00 -0.60 -3.18 119.26 126.11 3aek h ALA 388 Ca -0.43 -0.44 0.07 0.00 0.00 0.00 0.00 54.91 54.11 3aek h ALA 388 Cb 1.20 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 3aek h ALA 388 CO 0.93 0.61 0.57 0.82 0.00 0.00 0.00 179.25 182.18 3aek h ILE 389 N 0.01 1.05 -0.39 0.00 2.04 -1.91 -2.19 117.51 116.12 3aek h ILE 389 Ca -0.00 -0.34 0.11 0.00 1.00 0.00 0.00 64.86 65.63 3aek h ILE 389 Cb 0.86 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 3aek h ILE 389 CO 0.06 0.18 0.36 -0.08 0.00 0.00 0.00 178.15 178.67 3aek h GLU 390 N 0.98 0.00 0.00 2.37 4.81 -1.92 -0.82 114.58 120.00 3aek h GLU 390 Ca 0.38 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 3aek h GLU 390 Cb 0.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.61 3aek h GLU 390 CO -0.14 0.00 0.00 -0.07 -0.73 0.00 0.00 179.01 178.07 3aek h LEU 391 N 0.00 0.00 0.00 1.64 3.38 -1.62 -1.75 115.31 116.96 3aek h LEU 391 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3aek h LEU 391 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3aek h LEU 391 CO -0.00 0.00 -1.30 0.52 0.09 0.00 0.00 178.44 177.75 3aek n VAL 392 N -2.92 0.08 -1.38 1.22 0.31 -0.35 -4.53 118.33 110.76 3aek n VAL 392 Ca 0.02 -0.25 0.02 0.00 -0.01 0.00 0.00 64.34 64.12 3aek n VAL 392 Cb 0.37 0.38 0.20 0.00 -0.91 0.00 0.00 33.84 33.88 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 -1.92 0.65 -3.89 3.52 3.72 -0.72 -4.97 117.46 113.86 3aek n PHE 393 Ca 0.01 -1.41 -0.11 0.00 -0.05 0.00 0.00 57.45 55.89 3aek n PHE 393 Cb 0.44 -0.37 -0.13 0.00 -0.94 0.00 0.00 39.48 38.49 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 -3.15 0.02 -0.14 4.37 2.01 -0.85 -4.97 115.64 112.93 3aek s THR 394 Ca 0.41 -0.20 -0.29 0.00 0.31 0.00 0.00 61.69 61.92 3aek s THR 394 Cb 0.37 -0.08 -0.05 0.00 0.01 0.00 0.00 72.50 72.75 3aek s THR 394 CO -0.00 -0.11 1.91 -2.84 -0.69 0.00 0.00 174.62 172.89 3aek s PRO 395 N -0.32 3.69 0.00 4.92 0.02 -1.26 -4.76 135.00 137.30 3aek s PRO 395 Ca -0.04 2.07 0.00 0.00 0.02 0.00 0.00 61.00 63.06 3aek s PRO 395 Cb -0.02 -4.18 0.00 0.00 0.02 0.00 0.00 34.50 30.32 3aek s PRO 395 CO -0.00 -1.44 0.00 1.33 -0.33 0.00 0.00 177.00 176.55 3aek n VAL 396 N 6.56 0.00 -2.95 3.83 0.24 -1.26 -4.74 118.33 120.01 3aek n VAL 396 Ca 0.23 -0.10 -0.33 0.00 -2.04 0.00 0.00 64.34 62.09 3aek n VAL 396 Cb 0.44 0.55 -0.07 0.00 -1.47 0.00 0.00 33.84 33.30 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 -0.84 3.39 0.01 6.34 3.76 -1.26 -4.57 115.29 122.12 3aek s HIS 397 Ca 0.00 1.47 0.00 0.00 -0.15 0.00 0.00 55.06 56.38 3aek s HIS 397 Cb 0.00 -2.73 0.00 0.00 1.11 0.00 0.00 32.58 30.96 3aek s HIS 397 CO 0.00 0.03 0.00 1.19 -0.85 0.00 0.00 174.74 175.11 3aek n PHE 398 N -0.33 -1.57 0.00 1.40 3.01 0.07 -4.33 117.46 115.71 3aek n PHE 398 Ca 0.05 0.05 -0.13 0.00 1.01 0.00 0.00 57.45 58.43 3aek n PHE 398 Cb 0.53 -0.09 -0.09 0.00 -0.01 0.00 0.00 39.48 39.82 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 -0.04 -0.01 0.00 1.38 0.05 -1.89 -3.16 116.97 113.30 3aek h TYR 399 Ca 0.00 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 3aek h TYR 399 Cb 0.04 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.78 3aek h TYR 399 CO 0.00 0.36 -0.05 1.49 -1.05 0.00 0.00 178.16 178.90 3aek h GLU 400 N -0.38 0.00 -0.31 4.88 4.57 -1.90 -2.18 114.58 119.26 3aek h GLU 400 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3aek h GLU 400 Cb 0.37 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 3aek h GLU 400 CO 0.00 0.05 0.00 1.04 -1.18 0.00 0.00 179.01 178.93 3aek n GLN 401 N -3.73 2.21 -0.24 1.92 3.00 -1.23 -4.56 117.38 114.75 3aek n GLN 401 Ca -0.02 -2.04 -0.03 0.00 -0.01 0.00 0.00 57.00 54.89 3aek n GLN 401 Cb 0.15 -1.41 0.14 0.00 0.00 0.00 0.00 30.24 29.12 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 3.60 1.20 -0.30 -1.58 0.00 -1.35 -0.59 119.26 120.24 3aek h ALA 402 Ca 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3aek h ALA 402 Cb 0.84 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3aek h ALA 402 CO 0.00 0.60 -0.01 0.78 0.00 0.00 0.00 179.25 180.62 3aek h GLY 403 N 1.11 0.58 0.97 0.00 0.00 -1.80 -2.53 103.07 101.39 3aek h GLY 403 Ca 0.25 -0.43 0.02 0.00 0.00 0.00 0.00 47.33 47.17 3aek h GLY 403 CO -0.03 0.40 0.59 -0.55 0.00 0.00 0.00 176.54 176.95 3aek h ASP 404 N 0.33 1.01 -0.22 0.19 3.32 -1.78 -0.58 116.42 118.68 3aek h ASP 404 Ca 0.08 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 3aek h ASP 404 Cb 0.45 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3aek h ASP 404 CO 0.02 0.72 0.14 0.25 -1.72 0.00 0.00 179.24 178.64 3aek h LEU 405 N 1.18 0.27 -1.31 1.55 5.85 -1.06 -1.16 115.31 120.62 3aek h LEU 405 Ca 0.34 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 59.00 3aek h LEU 405 Cb -0.09 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 3aek h LEU 405 CO -0.09 0.23 0.27 0.00 -0.34 0.00 0.00 178.44 178.51 3aek h ALA 406 N 1.05 1.47 -0.05 1.25 0.00 -1.02 -2.73 119.26 119.23 3aek h ALA 406 Ca 0.08 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3aek h ALA 406 Cb 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3aek h ALA 406 CO -0.02 0.43 -0.30 0.78 0.00 0.00 0.00 179.25 180.15 3aek h GLY 407 N 0.84 0.09 1.09 0.00 0.00 -0.62 -1.76 103.07 102.70 3aek h GLY 407 Ca 0.19 -0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.52 3aek h GLY 407 CO -0.03 0.06 0.44 1.41 0.00 0.00 0.00 176.54 178.42 3aek h LEU 408 N 0.07 0.57 0.08 3.11 4.07 -0.90 -1.45 115.31 120.87 3aek h LEU 408 Ca 0.01 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 57.63 3aek h LEU 408 Cb 0.57 -0.12 -0.03 0.00 1.08 0.00 0.00 40.66 42.16 3aek h LEU 408 CO 0.04 0.37 -1.92 0.49 -1.08 0.00 0.00 178.44 176.34 3aek n PHE 409 N -4.48 1.11 0.16 1.13 3.72 -0.96 -4.15 117.46 113.99 3aek n PHE 409 Ca 0.10 0.29 0.00 0.00 -0.05 0.00 0.00 57.45 57.79 3aek n PHE 409 Cb 0.25 -1.16 0.26 0.00 -0.94 0.00 0.00 39.48 37.89 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 0.04 0.03 -0.06 4.37 4.64 -1.31 -3.35 113.55 117.91 3aek h SER 410 Ca -0.38 -0.01 0.03 0.00 -0.47 0.00 0.00 61.79 60.95 3aek h SER 410 Cb 2.03 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 64.08 3aek h SER 410 CO 0.08 0.51 -0.14 -0.09 -0.87 0.00 0.00 176.83 176.32 3aek h ARG 411 N 0.02 -0.19 -0.51 4.77 2.43 -1.42 -0.02 114.38 119.46 3aek h ARG 411 Ca -0.00 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 3aek h ARG 411 Cb 0.86 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.43 3aek h ARG 411 CO 0.06 -0.13 0.15 -1.00 -1.51 0.00 0.00 179.97 177.55 3aek h PRO 412 N -0.20 0.76 -0.67 0.20 0.13 -1.77 -0.06 132.00 130.38 3aek h PRO 412 Ca 0.07 -0.13 -0.07 0.00 -0.87 0.00 0.00 66.00 65.00 3aek h PRO 412 Cb 0.29 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 31.27 3aek h PRO 412 CO -0.18 0.66 0.16 -0.07 -0.23 0.00 0.00 178.00 178.34 3aek h LEU 413 N 0.74 1.01 -0.58 1.56 3.38 -1.63 -1.58 115.31 118.21 3aek h LEU 413 Ca 0.17 -0.21 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 3aek h LEU 413 Cb 0.23 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3aek h LEU 413 CO -0.01 0.98 -0.47 0.03 0.09 0.00 0.00 178.44 179.06 3aek h ARG 414 N 1.02 0.58 -0.50 1.13 3.08 -0.61 -2.44 114.38 116.64 3aek h ARG 414 Ca 0.21 -0.33 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 3aek h ARG 414 Cb 0.37 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3aek h ARG 414 CO 0.00 0.93 0.14 -0.09 -1.07 0.00 0.00 179.97 179.88 3aek h ARG 415 N 0.46 0.78 -0.55 0.04 2.43 -0.87 -0.83 114.38 115.85 3aek h ARG 415 Ca 0.03 -0.18 0.01 0.00 -0.81 0.00 0.00 59.98 59.03 3aek h ARG 415 Cb 1.00 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.41 3aek h ARG 415 CO 0.09 0.74 0.35 -0.09 -1.51 0.00 0.00 179.97 179.55 3aek h ARG 416 N 0.68 0.69 -0.11 0.20 2.43 -1.23 -0.57 114.38 116.47 3aek h ARG 416 Ca 0.16 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 3aek h ARG 416 Cb 0.29 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3aek h ARG 416 CO -0.00 0.46 0.04 0.00 -1.51 0.00 0.00 179.97 178.95 3aek h ALA 417 N 1.21 0.14 -0.51 2.80 0.00 -1.33 -1.19 119.26 120.37 3aek h ALA 417 Ca 0.21 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3aek h ALA 417 Cb -0.06 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3aek h ALA 417 CO -0.06 -0.25 0.34 1.25 0.00 0.00 0.00 179.25 180.53 3aek h LEU 418 N -0.00 0.44 0.00 0.00 5.85 -0.92 -1.41 115.31 119.27 3aek h LEU 418 Ca 0.04 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3aek h LEU 418 Cb 0.20 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.13 3aek h LEU 418 CO -0.00 0.29 -1.41 0.18 -0.34 0.00 0.00 178.44 177.16 3aek n LEU 419 N -4.47 0.48 -0.62 2.25 4.77 -0.24 -4.32 117.00 114.84 3aek n LEU 419 Ca 0.07 0.14 0.08 0.00 -0.03 0.00 0.00 56.01 56.27 3aek n LEU 419 Cb 0.21 -0.04 0.06 0.00 -2.33 0.00 0.00 43.42 41.32 3aek n LEU 419 CO 0.34 -0.08 0.49 -0.46 -1.33 0.00 0.00 177.39 176.35 3aek n ASN 420 N -2.40 2.28 0.00 -1.43 2.04 -0.46 -5.08 115.26 110.21 3aek n ASN 420 Ca -0.01 -1.64 0.00 0.00 -0.44 0.00 0.00 54.58 52.48 3aek n ASN 420 Cb 0.54 0.03 0.00 0.00 -2.53 0.00 0.00 39.78 37.82 3aek n ASN 420 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43