#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dey s THR 5 N 0.00 0.38 -0.30 2.61 2.01 0.02 -5.00 115.64 115.36 2dey s THR 5 Ca 0.00 -0.12 -0.09 0.00 0.31 0.00 0.00 61.69 61.79 2dey s THR 5 Cb 0.00 -0.38 -0.01 0.00 0.01 0.00 0.00 72.50 72.12 2dey s THR 5 CO 0.00 0.15 0.14 -0.22 -0.69 0.00 0.00 174.62 174.00 2dey s LEU 6 N 0.42 3.98 -0.20 4.42 2.96 -1.26 0.10 118.68 129.10 2dey s LEU 6 Ca -0.05 -0.43 -0.10 0.00 -0.22 0.00 0.00 54.13 53.33 2dey s LEU 6 Cb -0.08 -1.99 -0.05 0.00 0.50 0.00 0.00 46.19 44.56 2dey s LEU 6 CO -0.00 -0.15 0.14 -0.63 -1.32 0.00 0.00 176.35 174.38 2dey s ILE 7 N 1.62 5.40 -0.25 6.68 1.01 0.82 -4.92 121.20 131.56 2dey s ILE 7 Ca 0.05 0.22 -0.10 0.00 0.00 0.00 0.00 60.65 60.82 2dey s ILE 7 Cb -0.17 -3.48 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 2dey s ILE 7 CO 0.06 0.44 0.16 -0.13 0.00 0.00 0.00 174.94 175.47 2dey s ARG 8 N 0.37 4.01 0.14 2.79 0.52 -1.26 0.37 118.95 125.88 2dey s ARG 8 Ca 0.09 -0.30 0.04 0.00 -0.52 0.00 0.00 55.73 55.03 2dey s ARG 8 Cb -0.11 -3.55 -0.04 0.00 0.52 0.00 0.00 34.95 31.77 2dey s ARG 8 CO -0.02 -0.01 0.17 0.14 0.02 0.00 0.00 175.30 175.60 2dey s VAL 9 N 1.26 4.76 -0.12 3.52 -7.23 -0.96 -4.93 120.40 116.70 2dey s VAL 9 Ca 0.07 -0.89 -0.05 0.00 -1.81 0.00 0.00 61.98 59.30 2dey s VAL 9 Cb -0.14 -3.40 0.05 0.00 0.56 0.00 0.00 36.38 33.45 2dey s VAL 9 CO 0.06 -0.05 0.27 0.42 -0.31 0.00 0.00 175.10 175.49 2dey s THR 10 N -1.67 -0.17 0.41 5.32 -4.23 -1.26 -4.47 115.64 109.57 2dey s THR 10 Ca 0.32 0.19 0.12 0.00 -1.18 0.00 0.00 61.69 61.14 2dey s THR 10 Cb -0.11 -0.42 0.15 0.00 1.34 0.00 0.00 72.50 73.46 2dey s THR 10 CO 0.25 0.08 1.92 1.55 -0.54 0.00 0.00 174.62 177.88 2dey h PRO 11 N 7.55 0.07 -0.57 3.99 0.13 -1.83 -2.91 132.00 138.44 2dey h PRO 11 Ca -0.32 -0.02 0.10 0.00 -0.87 0.00 0.00 66.00 64.90 2dey h PRO 11 Cb 1.14 -0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.19 2dey h PRO 11 CO 0.29 0.29 0.14 1.05 -0.23 0.00 0.00 178.00 179.54 2dey h GLU 12 N 0.07 0.27 -4.58 0.86 4.11 -1.90 -3.45 114.58 109.95 2dey h GLU 12 Ca 0.01 -0.02 -0.35 0.00 0.07 0.00 0.00 59.36 59.08 2dey h GLU 12 Cb 0.43 -0.06 -0.27 0.00 0.50 0.00 0.00 28.75 29.35 2dey h GLU 12 CO 0.03 0.18 -0.76 -0.65 0.07 0.00 0.00 179.01 177.88 2dey s GLN 13 N -6.12 0.59 0.49 1.06 -1.52 -1.10 -5.14 119.66 107.93 2dey s GLN 13 Ca -0.13 -0.38 -0.23 0.00 -1.95 0.00 0.00 55.36 52.67 2dey s GLN 13 Cb 0.17 -0.54 -0.06 0.00 -0.22 0.00 0.00 33.01 32.36 2dey s GLN 13 CO 0.74 0.14 1.28 -1.25 -0.25 0.00 0.00 175.29 175.95 2dey s PRO 14 N -0.49 3.50 -0.07 2.91 0.04 -1.26 -4.10 135.00 135.53 2dey s PRO 14 Ca 0.00 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.11 2dey s PRO 14 Cb -0.04 -2.39 -0.03 0.00 0.04 0.00 0.00 34.50 32.07 2dey s PRO 14 CO -0.00 -0.85 -0.05 0.99 0.04 0.00 0.00 177.00 177.13 2dey s THR 15 N -1.38 3.86 -0.05 1.26 2.01 -0.33 -5.00 115.64 116.01 2dey s THR 15 Ca 0.66 -0.42 0.04 0.00 0.31 0.00 0.00 61.69 62.28 2dey s THR 15 Cb -0.36 -2.59 -0.02 0.00 0.01 0.00 0.00 72.50 69.53 2dey s THR 15 CO 0.44 0.60 -0.16 -1.00 -0.69 0.00 0.00 174.62 173.81 2dey s HIS 16 N -0.82 2.66 -0.12 4.92 3.76 -1.26 0.84 115.29 125.27 2dey s HIS 16 Ca 0.12 -0.23 -0.28 0.00 -0.15 0.00 0.00 55.06 54.52 2dey s HIS 16 Cb -0.11 -1.63 0.07 0.00 1.11 0.00 0.00 32.58 32.02 2dey s HIS 16 CO 0.02 0.13 0.67 0.00 -0.85 0.00 0.00 174.74 174.70 2dey s ALA 17 N -0.63 -1.71 0.04 -1.40 0.00 -0.53 -4.95 121.76 112.58 2dey s ALA 17 Ca 0.09 1.51 -0.10 0.00 0.00 0.00 0.00 51.96 53.46 2dey s ALA 17 Cb -0.11 -0.40 -0.05 0.00 0.00 0.00 0.00 23.12 22.55 2dey s ALA 17 CO 0.01 -0.35 0.36 0.08 0.00 0.00 0.00 175.76 175.86 2dey s VAL 18 N -0.64 5.14 -0.21 0.00 1.01 -1.26 -1.49 120.40 122.95 2dey s VAL 18 Ca -0.07 0.44 -0.01 0.00 0.00 0.00 0.00 61.98 62.34 2dey s VAL 18 Cb -0.02 -3.63 0.06 0.00 0.00 0.00 0.00 36.38 32.79 2dey s VAL 18 CO 0.07 0.36 -0.02 0.00 0.00 0.00 0.00 175.10 175.50 2dey s VAL 20 N 1.58 4.88 0.33 0.00 1.01 -1.26 -1.93 120.40 125.00 2dey s VAL 20 Ca -0.04 1.98 -0.29 0.00 0.00 0.00 0.00 61.98 63.63 2dey s VAL 20 Cb -0.18 -4.28 -0.10 0.00 0.00 0.00 0.00 36.38 31.82 2dey s VAL 20 CO -0.07 0.14 1.35 -0.76 0.00 0.00 0.00 175.10 175.77 2dey s LEU 21 N 1.16 4.41 0.00 3.92 1.43 -0.36 -2.87 118.68 126.37 2dey s LEU 21 Ca 0.49 2.74 0.00 0.00 -1.03 0.00 0.00 54.13 56.33 2dey s LEU 21 Cb -0.20 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.37 2dey s LEU 21 CO 0.25 -0.61 0.00 0.61 0.23 0.00 0.00 176.35 176.83 2dey n GLY 22 N 0.95 0.74 3.33 -3.19 0.00 -1.26 -4.80 105.19 100.96 2dey n GLY 22 Ca 0.01 -0.63 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 2dey n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dey s THR 23 N -2.00 1.82 -0.32 2.61 2.01 -1.14 -5.05 115.64 113.57 2dey s THR 23 Ca 0.00 -1.87 -0.17 0.00 0.31 0.00 0.00 61.69 59.96 2dey s THR 23 Cb 0.00 -1.81 -0.02 0.00 0.01 0.00 0.00 72.50 70.68 2dey s THR 23 CO 0.00 -0.28 0.46 -0.22 -0.69 0.00 0.00 174.62 173.89 2dey s LEU 24 N -2.57 4.25 -0.09 4.42 1.98 -1.26 -4.97 118.68 120.45 2dey s LEU 24 Ca 0.15 0.08 0.02 0.00 -2.89 0.00 0.00 54.13 51.49 2dey s LEU 24 Cb -0.06 -2.52 -0.02 0.00 0.66 0.00 0.00 46.19 44.25 2dey s LEU 24 CO 0.06 -0.36 -0.16 -0.89 -1.89 0.00 0.00 176.35 173.11 2dey s THR 25 N 2.24 2.86 0.21 3.68 2.01 -1.25 -0.80 115.64 124.59 2dey s THR 25 Ca 0.17 -0.76 0.05 0.00 0.31 0.00 0.00 61.69 61.46 2dey s THR 25 Cb -0.16 -2.15 -0.05 0.00 0.01 0.00 0.00 72.50 70.16 2dey s THR 25 CO 0.12 0.56 -0.07 -1.10 -0.69 0.00 0.00 174.62 173.44 2dey s GLN 26 N -0.11 1.29 -0.13 4.92 -0.21 0.12 -1.19 119.66 124.34 2dey s GLN 26 Ca -0.02 -1.61 -0.02 0.00 0.02 0.00 0.00 55.36 53.72 2dey s GLN 26 Cb -0.14 -0.79 -0.03 0.00 1.00 0.00 0.00 33.01 33.05 2dey s GLN 26 CO 0.04 0.03 -0.06 -0.51 -2.12 0.00 0.00 175.29 172.67 2dey s LEU 27 N -3.29 3.17 -0.44 2.90 1.02 -0.33 -0.13 118.68 121.58 2dey s LEU 27 Ca 0.24 -0.13 -0.20 0.00 0.02 0.00 0.00 54.13 54.06 2dey s LEU 27 Cb 0.03 -1.74 0.03 0.00 0.02 0.00 0.00 46.19 44.53 2dey s LEU 27 CO 0.06 0.21 0.59 -0.62 0.02 0.00 0.00 176.35 176.62 2dey s ASP 28 N 0.10 6.28 -0.02 2.29 -1.08 0.16 -4.53 116.67 119.87 2dey s ASP 28 Ca -0.02 -0.46 0.17 0.00 -0.52 0.00 0.00 52.55 51.72 2dey s ASP 28 Cb -0.14 -2.29 -0.25 0.00 -1.46 0.00 0.00 42.92 38.78 2dey s ASP 28 CO 0.03 -0.74 0.42 -0.38 0.52 0.00 0.00 175.17 175.02 2dey n ILE 29 N 5.74 0.00 -0.01 4.11 5.41 -1.26 -2.27 119.36 131.08 2dey n ILE 29 Ca -0.03 -0.34 -0.21 0.00 1.00 0.00 0.00 62.75 63.16 2dey n ILE 29 Cb 0.48 0.25 -0.13 0.00 -0.71 0.00 0.00 39.64 39.52 2dey n ILE 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2dey h SER 31 N -0.37 0.02 0.00 0.00 0.02 -1.91 -1.06 113.55 110.25 2dey h SER 31 Ca -0.32 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.62 2dey h SER 31 Cb 1.71 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 64.22 2dey h SER 31 CO 0.02 0.01 -0.30 -1.20 -1.14 0.00 0.00 176.83 174.22 2dey n SER 32 N -4.25 1.60 -4.77 3.07 7.64 -1.26 -5.08 113.62 110.57 2dey n SER 32 Ca 0.21 -2.93 -0.36 0.00 1.01 0.00 0.00 58.87 56.81 2dey n SER 32 Cb 1.06 -0.39 -0.00 0.00 -1.01 0.00 0.00 64.21 63.87 2dey n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dey s ALA 33 N -2.09 2.78 0.00 -0.43 0.00 -0.40 -4.34 121.76 117.28 2dey s ALA 33 Ca 0.27 0.87 0.00 0.00 0.00 0.00 0.00 51.96 53.09 2dey s ALA 33 Cb 0.25 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 20.00 2dey s ALA 33 CO -0.01 -0.74 0.00 -0.35 0.00 0.00 0.00 175.76 174.65 2dey n PRO 34 N -1.05 0.00 -0.02 0.00 -0.04 -1.26 -5.08 135.00 127.56 2dey n PRO 34 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2dey n PRO 34 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 2dey n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2dey n THR 38 N 2.91 0.00 -4.15 0.00 -2.24 -1.20 -4.97 114.28 104.63 2dey n THR 38 Ca 0.00 -0.14 -0.10 0.00 -2.27 0.00 0.00 64.05 61.55 2dey n THR 38 Cb 0.00 0.62 -0.10 0.00 -2.10 0.00 0.00 70.33 68.75 2dey n THR 38 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2dey s SER 39 N -1.54 0.71 0.07 3.42 0.01 -0.63 -0.76 113.70 114.99 2dey s SER 39 Ca 0.00 -1.08 -0.06 0.00 1.31 0.00 0.00 55.95 56.12 2dey s SER 39 Cb 0.00 0.19 -0.01 0.00 0.21 0.00 0.00 66.02 66.40 2dey s SER 39 CO 0.00 -0.60 0.11 0.72 0.41 0.00 0.00 173.24 173.89 2dey s PHE 40 N -3.84 0.26 0.07 2.43 -0.12 0.50 -0.33 117.98 116.95 2dey s PHE 40 Ca 0.15 -0.70 0.06 0.00 -0.05 0.00 0.00 56.93 56.40 2dey s PHE 40 Cb 0.07 -0.16 -0.03 0.00 -0.63 0.00 0.00 43.02 42.27 2dey s PHE 40 CO -0.04 -0.47 -0.17 -1.12 -0.05 0.00 0.00 175.22 173.38 2dey s SER 41 N -2.73 2.00 -0.07 1.98 0.01 0.12 -1.84 113.70 113.16 2dey s SER 41 Ca 0.04 -0.60 0.03 0.00 1.31 0.00 0.00 55.95 56.73 2dey s SER 41 Cb 0.05 -0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 2dey s SER 41 CO -0.09 0.00 -0.17 -0.63 0.41 0.00 0.00 173.24 172.76 2dey s ILE 42 N -1.12 2.81 -0.05 1.44 1.01 -1.26 -0.32 121.20 123.71 2dey s ILE 42 Ca 0.02 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.88 2dey s ILE 42 Cb -0.09 -2.11 0.02 0.00 0.01 0.00 0.00 42.46 40.29 2dey s ILE 42 CO 0.03 0.57 -0.02 0.21 0.00 0.00 0.00 174.94 175.72 2dey s ASN 43 N -0.31 1.02 0.12 3.58 2.47 0.10 -5.02 114.94 116.90 2dey s ASN 43 Ca 0.02 -0.09 0.03 0.00 0.42 0.00 0.00 52.86 53.24 2dey s ASN 43 Cb -0.13 -0.39 -0.04 0.00 -1.45 0.00 0.00 41.25 39.24 2dey s ASN 43 CO 0.03 -0.11 -0.08 0.00 -3.72 0.00 0.00 177.10 173.22 2dey s ALA 44 N 1.27 1.18 0.73 1.71 0.00 -1.26 0.02 121.76 125.41 2dey s ALA 44 Ca -0.06 -1.40 -0.12 0.00 0.00 0.00 0.00 51.96 50.38 2dey s ALA 44 Cb -0.13 0.11 0.04 0.00 0.00 0.00 0.00 23.12 23.13 2dey s ALA 44 CO -0.02 -0.17 1.10 -1.54 0.00 0.00 0.00 175.76 175.13 2dey s SER 45 N -3.07 4.73 0.67 0.00 1.04 -0.59 -4.93 113.70 111.54 2dey s SER 45 Ca 0.14 1.87 0.41 0.00 0.48 0.00 0.00 55.95 58.84 2dey s SER 45 Cb 0.04 -2.53 2.23 0.00 0.10 0.00 0.00 66.02 65.86 2dey s SER 45 CO -0.02 -1.88 2.27 -0.65 0.98 0.00 0.00 173.24 173.93 2dey h PRO 46 N -0.74 0.00 0.00 4.02 0.11 -1.98 -1.55 132.00 131.85 2dey h PRO 46 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2dey h PRO 46 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2dey h PRO 46 CO 0.52 0.00 -0.34 0.41 -0.21 0.00 0.00 178.00 178.38 2dey n GLY 47 N -1.13 -1.41 3.71 -0.55 0.00 -1.26 -4.77 105.19 99.78 2dey n GLY 47 Ca -0.03 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 2dey n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dey s VAL 48 N -3.06 5.30 -0.41 1.61 1.01 -0.59 -1.68 120.40 122.59 2dey s VAL 48 Ca 0.10 0.53 -0.09 0.00 0.00 0.00 0.00 61.98 62.52 2dey s VAL 48 Cb 0.16 -3.63 0.07 0.00 0.00 0.00 0.00 36.38 32.98 2dey s VAL 48 CO 0.65 0.37 0.25 -0.69 0.00 0.00 0.00 175.10 175.68 2dey s VAL 49 N 0.64 4.28 -0.32 2.92 1.01 0.23 -4.78 120.40 124.38 2dey s VAL 49 Ca 0.16 -1.33 -0.26 0.00 0.00 0.00 0.00 61.98 60.55 2dey s VAL 49 Cb -0.13 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.67 2dey s VAL 49 CO 0.04 -0.48 0.91 -0.69 0.00 0.00 0.00 175.10 174.88 2dey s VAL 50 N 1.44 4.67 -0.06 2.92 1.01 -1.26 -1.18 120.40 127.94 2dey s VAL 50 Ca 0.03 1.36 0.03 0.00 0.00 0.00 0.00 61.98 63.40 2dey s VAL 50 Cb -0.23 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 31.86 2dey s VAL 50 CO 0.03 -0.37 -0.14 -0.62 0.00 0.00 0.00 175.10 173.99 2dey s ASP 51 N 1.67 4.02 0.00 3.32 3.68 0.15 -4.99 116.67 124.52 2dey s ASP 51 Ca 0.38 -0.22 0.00 0.00 2.13 0.00 0.00 52.55 54.84 2dey s ASP 51 Cb -0.13 -0.98 0.00 0.00 -1.45 0.00 0.00 42.92 40.36 2dey s ASP 51 CO 0.14 0.31 0.00 0.00 0.13 0.00 0.00 175.17 175.76 2dey n ILE 52 N 2.52 0.00 -2.18 4.11 3.06 -1.26 -1.11 119.36 124.50 2dey n ILE 52 Ca -0.17 0.00 -0.01 0.00 -2.50 0.00 0.00 62.75 60.06 2dey n ILE 52 Cb 0.52 0.00 -0.00 0.00 0.54 0.00 0.00 39.64 40.70 2dey n ILE 52 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 2dey n THR 67 N 0.00 -0.05 -3.87 9.51 -2.24 -1.16 -4.73 114.28 111.73 2dey n THR 67 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 2dey n THR 67 Cb 0.00 -0.19 -0.12 0.00 -2.10 0.00 0.00 70.33 67.92 2dey n THR 67 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2dey s TRP 68 N -1.87 -0.01 0.49 4.78 0.51 -0.77 -5.03 118.94 117.05 2dey s TRP 68 Ca 0.00 0.03 -0.21 0.00 -2.12 0.00 0.00 56.10 53.80 2dey s TRP 68 Cb 0.00 -0.02 -0.08 0.00 -0.81 0.00 0.00 33.47 32.56 2dey s TRP 68 CO 0.00 -0.10 1.06 -1.25 -0.51 0.00 0.00 176.95 176.15 2dey s PRO 69 N -0.42 3.76 -0.19 4.98 0.04 -1.26 -0.37 135.00 141.54 2dey s PRO 69 Ca -0.05 1.43 -0.03 0.00 0.04 0.00 0.00 61.00 62.39 2dey s PRO 69 Cb -0.03 -2.13 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 2dey s PRO 69 CO 0.00 -0.48 2.71 -0.11 0.04 0.00 0.00 177.00 179.17 2dey n LEU 70 N -0.93 5.85 -4.76 -3.56 7.94 0.06 -4.73 117.00 116.87 2dey n LEU 70 Ca 0.09 -3.27 -0.36 0.00 -1.11 0.00 0.00 56.01 51.36 2dey n LEU 70 Cb 0.52 -1.23 -0.07 0.00 0.53 0.00 0.00 43.42 43.17 2dey n LEU 70 CO 0.41 1.46 -0.10 -0.62 -1.11 0.00 0.00 177.39 177.43 2dey s ASP 71 N 1.18 6.36 0.62 1.96 2.15 -1.26 -4.93 116.67 122.75 2dey s ASP 71 Ca 0.43 0.42 0.32 0.00 0.43 0.00 0.00 52.55 54.15 2dey s ASP 71 Cb 0.25 -2.13 1.76 0.00 -0.30 0.00 0.00 42.92 42.50 2dey s ASP 71 CO -0.06 0.19 2.08 -0.65 -0.17 0.00 0.00 175.17 176.57 2dey h PRO 72 N 6.28 0.00 0.00 4.34 0.11 -2.00 -1.84 132.00 138.90 2dey h PRO 72 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2dey h PRO 72 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2dey h PRO 72 CO 0.72 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.92 2dey n GLY 73 N -1.32 -0.59 3.59 -0.55 0.00 -1.26 -4.69 105.19 100.37 2dey n GLY 73 Ca 0.01 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 2dey n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dey s VAL 74 N -2.42 3.97 -0.24 1.61 0.11 -0.69 -5.00 120.40 117.73 2dey s VAL 74 Ca 0.13 0.92 -0.29 0.00 -2.93 0.00 0.00 61.98 59.80 2dey s VAL 74 Cb 0.08 -4.49 -0.00 0.00 -1.53 0.00 0.00 36.38 30.44 2dey s VAL 74 CO 0.17 -1.07 1.22 -1.61 -3.33 0.00 0.00 175.10 170.48 2dey s GLU 75 N 4.99 4.10 -0.19 1.54 0.41 -1.26 -4.99 118.70 123.30 2dey s GLU 75 Ca 0.51 1.39 0.01 0.00 -0.41 0.00 0.00 54.97 56.48 2dey s GLU 75 Cb -0.10 -3.79 0.02 0.00 -1.78 0.00 0.00 34.13 28.49 2dey s GLU 75 CO 0.29 -0.87 -0.19 0.08 -0.49 0.00 0.00 175.26 174.08 2dey s VAL 76 N 3.80 2.05 -0.04 2.63 1.01 -1.26 -4.35 120.40 124.24 2dey s VAL 76 Ca 0.53 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 61.55 2dey s VAL 76 Cb -0.18 -1.89 -0.00 0.00 0.00 0.00 0.00 36.38 34.31 2dey s VAL 76 CO 0.17 0.48 -0.16 0.28 0.00 0.00 0.00 175.10 175.86 2dey s THR 77 N 1.28 1.36 -0.07 3.92 -1.32 -0.26 -1.18 115.64 119.37 2dey s THR 77 Ca 0.04 -0.69 0.01 0.00 -1.21 0.00 0.00 61.69 59.83 2dey s THR 77 Cb -0.14 -1.17 -0.03 0.00 -1.51 0.00 0.00 72.50 69.66 2dey s THR 77 CO -0.12 0.39 -0.08 -0.76 -2.21 0.00 0.00 174.62 171.85 2dey s LEU 78 N -0.03 3.11 -0.04 9.08 1.43 -0.33 -0.68 118.68 131.22 2dey s LEU 78 Ca -0.02 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.05 2dey s LEU 78 Cb -0.10 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.45 2dey s LEU 78 CO 0.01 0.35 -0.11 -0.89 0.23 0.00 0.00 176.35 175.94 2dey s THR 79 N -0.71 0.96 -0.09 5.49 2.01 -0.32 -3.97 115.64 119.01 2dey s THR 79 Ca 0.11 -0.43 -0.10 0.00 0.31 0.00 0.00 61.69 61.57 2dey s THR 79 Cb -0.11 -0.86 -0.05 0.00 0.01 0.00 0.00 72.50 71.49 2dey s THR 79 CO 0.01 0.30 0.24 -0.04 -0.69 0.00 0.00 174.62 174.45 2dey s MET 80 N 0.33 3.71 0.06 4.92 1.00 -1.26 0.76 119.30 128.82 2dey s MET 80 Ca -0.06 0.07 -0.15 0.00 0.00 0.00 0.00 55.69 55.54 2dey s MET 80 Cb -0.11 -3.23 -0.26 0.00 0.00 0.00 0.00 34.83 31.23 2dey s MET 80 CO 0.01 0.67 1.15 0.87 0.00 0.00 0.00 175.02 177.73 2dey h LYS 81 N 5.14 0.65 -3.40 2.03 1.57 -1.70 -3.47 116.57 117.40 2dey h LYS 81 Ca -0.52 -0.76 -0.02 0.00 -1.87 0.00 0.00 60.65 57.47 2dey h LYS 81 Cb 1.22 0.23 -0.09 0.00 0.08 0.00 0.00 32.23 33.66 2dey h LYS 81 CO 0.62 1.33 -0.01 0.00 -0.57 0.00 0.00 179.45 180.82 2dey s ALA 82 N -3.18 -0.72 0.44 3.86 0.00 -1.26 -5.11 121.76 115.78 2dey s ALA 82 Ca -0.10 -0.45 -0.24 0.00 0.00 0.00 0.00 51.96 51.16 2dey s ALA 82 Cb 0.06 0.91 -0.09 0.00 0.00 0.00 0.00 23.12 23.99 2dey s ALA 82 CO 0.92 -0.84 1.14 0.00 0.00 0.00 0.00 175.76 176.99 2dey n ALA 83 N -0.36 0.76 -1.77 0.00 0.00 -1.26 -4.72 120.51 113.16 2dey n ALA 83 Ca -0.07 0.22 -0.39 0.00 0.00 0.00 0.00 53.44 53.21 2dey n ALA 83 Cb 0.62 -2.18 -0.01 0.00 0.00 0.00 0.00 19.45 17.87 2dey n ALA 83 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2dey s SER 84 N -0.69 6.46 0.05 0.00 0.01 0.42 -4.90 113.70 115.05 2dey s SER 84 Ca 0.64 2.44 0.14 0.00 1.31 0.00 0.00 55.95 60.48 2dey s SER 84 Cb -0.52 -2.62 -0.16 0.00 0.21 0.00 0.00 66.02 62.93 2dey s SER 84 CO 0.56 -0.73 0.86 1.23 0.41 0.00 0.00 173.24 175.57 2dey h GLY 85 N 2.67 0.00 -4.49 3.44 0.00 -1.91 -3.20 103.07 99.58 2dey h GLY 85 Ca -0.49 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.69 2dey h GLY 85 CO 0.63 0.00 -0.65 -1.35 0.00 0.00 0.00 176.54 175.16 2dey s SER 86 N -6.03 0.26 0.09 0.19 1.04 -1.26 -4.36 113.70 103.63 2dey s SER 86 Ca -0.03 -0.58 -0.36 0.00 0.48 0.00 0.00 55.95 55.47 2dey s SER 86 Cb 0.08 0.15 -0.17 0.00 0.10 0.00 0.00 66.02 66.18 2dey s SER 86 CO 0.81 -0.39 1.17 0.41 0.98 0.00 0.00 173.24 176.22 2dey n THR 87 N 1.18 0.34 -1.17 2.02 -1.04 -1.26 -1.96 114.28 112.39 2dey n THR 87 Ca -0.21 -0.09 -0.06 0.00 -2.04 0.00 0.00 64.05 61.65 2dey n THR 87 Cb 0.57 -0.56 -0.03 0.00 -1.82 0.00 0.00 70.33 68.50 2dey n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2dey n GLY 88 N 2.08 0.70 0.00 3.41 0.00 -1.15 -4.86 105.19 105.37 2dey n GLY 88 Ca 0.18 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.13 2dey n GLY 88 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2dey n ASP 89 N -0.57 0.00 -4.64 1.61 3.85 -0.83 -4.38 116.55 111.59 2dey n ASP 89 Ca -0.06 0.46 -0.23 0.00 -0.71 0.00 0.00 54.79 54.25 2dey n ASP 89 Cb 0.40 -0.48 -0.07 0.00 -1.35 0.00 0.00 41.12 39.62 2dey n ASP 89 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 2dey s GLN 90 N -2.95 2.28 -0.08 0.11 -1.52 -1.11 -5.03 119.66 111.36 2dey s GLN 90 Ca 0.07 -1.41 -0.27 0.00 -1.95 0.00 0.00 55.36 51.79 2dey s GLN 90 Cb 0.09 -2.16 0.06 0.00 -0.22 0.00 0.00 33.01 30.78 2dey s GLN 90 CO 0.24 0.37 0.63 0.21 -0.25 0.00 0.00 175.29 176.48 2dey s LYS 91 N -3.64 0.95 -0.05 2.91 2.20 -1.26 -1.02 119.74 119.83 2dey s LYS 91 Ca 0.31 0.31 0.01 0.00 -0.36 0.00 0.00 55.97 56.25 2dey s LYS 91 Cb -0.06 0.45 0.02 0.00 -1.51 0.00 0.00 37.83 36.72 2dey s LYS 91 CO 0.20 -0.27 -0.06 0.08 -0.36 0.00 0.00 175.35 174.94 2dey s VAL 92 N -0.94 0.67 -0.18 4.02 1.01 -0.09 -1.54 120.40 123.35 2dey s VAL 92 Ca -0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 2dey s VAL 92 Cb -0.02 -0.66 -0.00 0.00 0.00 0.00 0.00 36.38 35.71 2dey s VAL 92 CO 0.08 0.25 -0.12 -1.58 0.00 0.00 0.00 175.10 173.73 2dey s GLN 93 N 0.77 3.24 -0.32 2.72 0.74 0.10 -0.97 119.66 125.94 2dey s GLN 93 Ca -0.12 -0.71 -0.08 0.00 0.05 0.00 0.00 55.36 54.50 2dey s GLN 93 Cb -0.14 -2.77 0.01 0.00 1.10 0.00 0.00 33.01 31.21 2dey s GLN 93 CO 0.01 -0.11 0.12 0.42 -0.55 0.00 0.00 175.29 175.19 2dey s ILE 94 N 1.15 4.20 -0.40 -2.34 1.09 0.04 -0.72 121.20 124.22 2dey s ILE 94 Ca 0.01 -0.70 -0.17 0.00 -1.10 0.00 0.00 60.65 58.69 2dey s ILE 94 Cb -0.14 -3.21 0.01 0.00 -1.06 0.00 0.00 42.46 38.06 2dey s ILE 94 CO -0.04 0.00 0.45 -0.44 -0.10 0.00 0.00 174.94 174.81 2dey s SER 95 N 1.53 6.21 -0.17 3.58 0.01 0.56 0.84 113.70 126.27 2dey s SER 95 Ca 0.03 -0.50 -0.23 0.00 1.31 0.00 0.00 55.95 56.55 2dey s SER 95 Cb -0.18 -2.23 -0.02 0.00 0.21 0.00 0.00 66.02 63.80 2dey s SER 95 CO 0.04 -0.54 0.74 -0.31 0.41 0.00 0.00 173.24 173.58 2dey s TYR 96 N 2.20 3.43 0.06 2.43 2.02 0.72 0.14 117.35 128.34 2dey s TYR 96 Ca 0.13 1.14 0.01 0.00 -0.37 0.00 0.00 57.07 57.99 2dey s TYR 96 Cb -0.17 -2.91 -0.03 0.00 -0.40 0.00 0.00 41.96 38.45 2dey s TYR 96 CO 0.14 -0.17 -0.06 1.52 -1.57 0.00 0.00 175.55 175.41 2dey s TYR 97 N 1.88 0.64 0.37 2.71 1.13 0.56 -0.24 117.35 124.40 2dey s TYR 97 Ca 0.35 -0.73 0.06 0.00 -1.41 0.00 0.00 57.07 55.34 2dey s TYR 97 Cb -0.16 -0.40 -0.03 0.00 -1.10 0.00 0.00 41.96 40.27 2dey s TYR 97 CO 0.12 -0.17 0.23 0.20 -2.51 0.00 0.00 175.55 173.42 2dey s GLY 98 N -2.24 2.50 0.58 5.49 0.00 -1.23 -1.60 107.32 110.82 2dey s GLY 98 Ca -0.01 -1.74 0.28 0.00 0.00 0.00 0.00 44.72 43.24 2dey s GLY 98 CO -0.03 -1.61 2.19 -2.55 0.00 0.00 0.00 173.10 171.10 2dey h PRO 99 N 1.98 0.00 0.00 2.90 0.11 -2.00 -3.18 132.00 131.81 2dey h PRO 99 Ca -0.28 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.77 2dey h PRO 99 Cb 1.25 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.25 2dey h PRO 99 CO 0.42 0.00 -0.50 0.36 -0.21 0.00 0.00 178.00 178.08 2dey n LYS 100 N -3.94 0.00 -4.33 1.05 2.85 -1.26 -5.09 118.16 107.44 2dey n LYS 100 Ca -0.01 -1.02 -0.34 0.00 -1.05 0.00 0.00 58.31 55.89 2dey n LYS 100 Cb 0.18 -0.16 -0.15 0.00 -0.65 0.00 0.00 35.03 34.25 2dey n LYS 100 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2dey s THR 101 N 0.00 2.78 0.55 0.58 -4.23 -1.20 -5.11 115.64 109.01 2dey s THR 101 Ca 0.08 -0.72 -0.20 0.00 -1.18 0.00 0.00 61.69 59.67 2dey s THR 101 Cb 0.09 -2.20 -0.06 0.00 1.34 0.00 0.00 72.50 71.67 2dey s THR 101 CO -0.04 0.50 1.03 -2.65 -0.54 0.00 0.00 174.62 172.92 2dey n PRO 102 N 4.27 1.14 -2.09 3.99 -0.02 -1.26 -3.56 135.00 137.48 2dey n PRO 102 Ca -0.19 0.43 -0.42 0.00 -2.02 0.00 0.00 63.50 61.30 2dey n PRO 102 Cb 0.51 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 2dey n PRO 102 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2dey s PRO 103 N -2.59 4.30 -0.34 0.52 0.02 -1.26 -4.86 135.00 130.79 2dey s PRO 103 Ca 0.72 2.20 -0.11 0.00 0.02 0.00 0.00 61.00 63.83 2dey s PRO 103 Cb -0.45 -3.17 0.01 0.00 0.02 0.00 0.00 34.50 30.90 2dey s PRO 103 CO 0.50 -0.42 0.18 0.08 -0.33 0.00 0.00 177.00 177.01 2dey s VAL 104 N 0.51 4.66 0.07 3.83 1.01 0.66 -4.91 120.40 126.24 2dey s VAL 104 Ca 0.62 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.96 2dey s VAL 104 Cb -0.40 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 2dey s VAL 104 CO 0.36 -0.06 0.33 -1.59 0.00 0.00 0.00 175.10 174.15 2dey s LYS 105 N 1.60 3.63 -0.04 2.72 0.00 -1.26 -0.20 119.74 126.20 2dey s LYS 105 Ca 0.04 -0.03 0.06 0.00 0.00 0.00 0.00 55.97 56.03 2dey s LYS 105 Cb -0.18 -2.98 -0.02 0.00 0.00 0.00 0.00 37.83 34.64 2dey s LYS 105 CO 0.07 0.57 -0.20 0.00 0.00 0.00 0.00 175.35 175.79 2dey s ALA 106 N -1.45 2.42 -0.01 0.59 0.00 0.25 -4.65 121.76 118.91 2dey s ALA 106 Ca 0.33 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 51.25 2dey s ALA 106 Cb -0.13 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 2dey s ALA 106 CO 0.20 0.54 0.03 -0.51 0.00 0.00 0.00 175.76 176.02 2dey s LEU 107 N -0.67 3.64 -0.07 0.00 1.02 -1.26 -0.78 118.68 120.57 2dey s LEU 107 Ca 0.11 0.06 -0.01 0.00 0.02 0.00 0.00 54.13 54.31 2dey s LEU 107 Cb -0.10 -2.06 0.03 0.00 0.02 0.00 0.00 46.19 44.07 2dey s LEU 107 CO -0.00 0.29 0.00 -0.22 0.02 0.00 0.00 176.35 176.44 2dey s LEU 108 N -1.52 0.64 -0.23 1.79 2.96 -0.15 -1.18 118.68 120.99 2dey s LEU 108 Ca 0.20 -0.07 -0.09 0.00 -0.22 0.00 0.00 54.13 53.94 2dey s LEU 108 Cb -0.12 -0.41 -0.04 0.00 0.50 0.00 0.00 46.19 46.12 2dey s LEU 108 CO 0.10 -0.18 0.12 -0.31 -1.32 0.00 0.00 176.35 174.76 2dey s TYR 109 N 1.86 3.23 0.04 5.38 1.51 0.25 -0.91 117.35 128.71 2dey s TYR 109 Ca 0.03 0.02 0.05 0.00 -1.01 0.00 0.00 57.07 56.16 2dey s TYR 109 Cb -0.12 -2.23 -0.04 0.00 -0.11 0.00 0.00 41.96 39.46 2dey s TYR 109 CO -0.05 -0.05 -0.10 -0.51 -1.11 0.00 0.00 175.55 173.73 2dey s LEU 110 N 1.14 3.00 -0.12 -1.29 1.02 -0.19 -1.46 118.68 120.78 2dey s LEU 110 Ca 0.06 -0.29 -0.00 0.00 0.02 0.00 0.00 54.13 53.92 2dey s LEU 110 Cb -0.14 -1.76 0.03 0.00 0.02 0.00 0.00 46.19 44.34 2dey s LEU 110 CO 0.04 0.24 -0.08 -0.89 0.02 0.00 0.00 176.35 175.69 2dey s THR 111 N -1.05 1.08 0.04 5.49 2.01 -0.55 -2.74 115.64 119.91 2dey s THR 111 Ca 0.18 -0.37 -0.13 0.00 0.31 0.00 0.00 61.69 61.68 2dey s THR 111 Cb -0.11 -1.12 -0.06 0.00 0.01 0.00 0.00 72.50 71.23 2dey s THR 111 CO 0.09 0.34 0.42 0.00 -0.69 0.00 0.00 174.62 174.78 2dey s ALA 112 N 1.68 3.70 0.03 7.40 0.00 -1.26 -0.12 121.76 133.18 2dey s ALA 112 Ca 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 51.96 51.72 2dey s ALA 112 Cb -0.13 -2.36 -0.02 0.00 0.00 0.00 0.00 23.12 20.61 2dey s ALA 112 CO -0.08 0.51 -0.00 0.14 0.00 0.00 0.00 175.76 176.32 2dey s VAL 113 N -1.22 0.13 -0.23 0.00 -7.23 -0.81 -0.44 120.40 110.59 2dey s VAL 113 Ca 0.28 -1.05 -0.12 0.00 -1.81 0.00 0.00 61.98 59.28 2dey s VAL 113 Cb -0.16 -0.55 -0.05 0.00 0.56 0.00 0.00 36.38 36.19 2dey s VAL 113 CO 0.15 -0.58 0.24 -0.70 -0.31 0.00 0.00 175.10 173.90 2dey s GLU 114 N -1.97 4.10 -0.32 4.82 2.12 -0.31 -1.22 118.70 125.91 2dey s GLU 114 Ca -0.11 -0.13 -0.01 0.00 0.36 0.00 0.00 54.97 55.08 2dey s GLU 114 Cb -0.06 -3.55 0.10 0.00 0.26 0.00 0.00 34.13 30.89 2dey s GLU 114 CO -0.03 0.02 0.12 0.42 -0.54 0.00 0.00 175.26 175.25 2dey s ILE 115 N 1.18 0.68 -0.15 -3.70 -1.09 -1.26 -1.49 121.20 115.38 2dey s ILE 115 Ca 0.11 -1.37 0.00 0.00 -2.23 0.00 0.00 60.65 57.16 2dey s ILE 115 Cb -0.14 -1.52 0.03 0.00 -1.58 0.00 0.00 42.46 39.24 2dey s ILE 115 CO 0.06 -0.72 -0.12 -0.94 -1.23 0.00 0.00 174.94 171.99 2dey s SER 116 N 1.59 2.64 -0.29 3.58 1.04 0.05 -5.00 113.70 117.31 2dey s SER 116 Ca 0.11 -0.49 -0.20 0.00 0.48 0.00 0.00 55.95 55.85 2dey s SER 116 Cb -0.18 -1.10 -0.01 0.00 0.10 0.00 0.00 66.02 64.83 2dey s SER 116 CO -0.24 -0.08 0.62 -0.22 0.98 0.00 0.00 173.24 174.29 2dey s LEU 117 N 1.53 4.12 0.16 2.42 0.20 -1.26 -1.08 118.68 124.78 2dey s LEU 117 Ca 0.04 0.49 0.11 0.00 0.69 0.00 0.00 54.13 55.46 2dey s LEU 117 Cb -0.13 -2.81 -0.04 0.00 -0.43 0.00 0.00 46.19 42.78 2dey s LEU 117 CO -0.10 -0.44 -0.24 0.00 -0.29 0.00 0.00 176.35 175.28 2dey s ALA 119 N -1.34 -0.15 -1.24 0.00 0.00 -1.26 -0.64 121.76 117.12 2dey s ALA 119 Ca 0.17 -0.99 -0.14 0.00 0.00 0.00 0.00 51.96 51.01 2dey s ALA 119 Cb -0.09 0.96 0.15 0.00 0.00 0.00 0.00 23.12 24.15 2dey s ALA 119 CO 0.08 -0.89 1.57 -3.47 0.00 0.00 0.00 175.76 173.06 2dey n ASP 120 N -1.01 5.13 0.06 0.00 4.64 -1.26 -4.76 116.55 119.33 2dey n ASP 120 Ca -0.03 -2.99 0.12 0.00 -1.38 0.00 0.00 54.79 50.51 2dey n ASP 120 Cb 0.61 -1.58 0.18 0.00 -1.04 0.00 0.00 41.12 39.28 2dey n ASP 120 CO 0.00 0.00 0.00 2.30 -0.82 0.00 0.00 177.20 178.68 2dey n ILE 121 N 4.66 0.34 1.27 5.18 -5.35 -1.26 -2.73 119.36 121.46 2dey n ILE 121 Ca 0.39 -0.26 0.13 0.00 -0.27 0.00 0.00 62.75 62.74 2dey n ILE 121 Cb 0.42 -0.11 0.34 0.00 -1.74 0.00 0.00 39.64 38.55 2dey n ILE 121 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2dey n THR 122 N -2.08 0.00 -3.20 7.28 -2.24 -1.26 -0.62 114.28 112.16 2dey n THR 122 Ca 0.03 -0.23 -0.15 0.00 -2.27 0.00 0.00 64.05 61.43 2dey n THR 122 Cb 0.43 0.69 0.07 0.00 -2.10 0.00 0.00 70.33 69.42 2dey n THR 122 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2dey n ARG 123 N -0.04 -5.52 0.00 -0.78 1.74 -1.11 -4.93 116.66 106.03 2dey n ARG 123 Ca 0.14 0.65 0.00 0.00 -0.77 0.00 0.00 57.85 57.87 2dey n ARG 123 Cb 0.40 -5.10 0.00 0.00 -1.02 0.00 0.00 32.46 26.73 2dey n ARG 123 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2dey n THR 124 N -3.80 0.00 -3.15 0.55 -2.24 -1.26 -4.81 114.28 99.57 2dey n THR 124 Ca -0.14 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.69 2dey n THR 124 Cb 0.60 -0.26 -0.00 0.00 -2.10 0.00 0.00 70.33 68.56 2dey n THR 124 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2dey s GLY 125 N -2.46 -1.00 0.97 3.38 0.00 -1.26 -4.73 107.32 102.23 2dey s GLY 125 Ca 0.00 1.85 -0.13 0.00 0.00 0.00 0.00 44.72 46.44 2dey s GLY 125 CO 0.00 3.97 0.35 0.58 0.00 0.00 0.00 173.10 177.99 2dey n LYS 126 N 5.22 -0.44 -0.07 2.90 0.00 -1.26 -5.05 118.16 119.45 2dey n LYS 126 Ca 0.07 -0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 2dey n LYS 126 Cb 0.56 -1.83 0.00 0.00 -0.00 0.00 0.00 35.03 33.77 2dey n LYS 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2dey n GLN 136 N -1.70 -0.02 -0.10 -1.58 10.64 -1.26 -5.07 117.38 118.28 2dey n GLN 136 Ca 0.06 0.02 -0.03 0.00 -1.83 0.00 0.00 57.00 55.22 2dey n GLN 136 Cb 0.55 -0.02 -0.00 0.00 -0.86 0.00 0.00 30.24 29.91 2dey n GLN 136 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12 2dey n ARG 137 N 1.15 0.29 -3.77 2.61 1.85 -1.26 -4.71 116.66 112.82 2dey n ARG 137 Ca 0.00 -0.63 -0.13 0.00 -1.00 0.00 0.00 57.85 56.09 2dey n ARG 137 Cb 0.00 -2.06 -0.12 0.00 -1.05 0.00 0.00 32.46 29.23 2dey n ARG 137 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2dey s THR 138 N 4.78 -0.01 -0.30 8.89 2.01 -1.26 -4.91 115.64 124.85 2dey s THR 138 Ca 0.06 0.03 -0.17 0.00 0.31 0.00 0.00 61.69 61.92 2dey s THR 138 Cb 0.01 -0.38 -0.02 0.00 0.01 0.00 0.00 72.50 72.12 2dey s THR 138 CO -0.00 0.01 0.47 0.86 -0.69 0.00 0.00 174.62 175.27 2dey s TRP 139 N 0.42 3.22 -0.05 4.92 -0.00 -1.26 -4.63 118.94 121.56 2dey s TRP 139 Ca -0.02 0.36 0.04 0.00 -0.00 0.00 0.00 56.10 56.48 2dey s TRP 139 Cb -0.04 -2.77 -0.02 0.00 -0.00 0.00 0.00 33.47 30.64 2dey s TRP 139 CO -0.02 -0.38 -0.18 0.95 -0.00 0.00 0.00 176.95 177.32 2dey s THR 140 N 2.27 2.75 0.60 5.86 -4.23 -0.10 -4.98 115.64 117.81 2dey s THR 140 Ca 0.18 -0.83 -0.16 0.00 -1.18 0.00 0.00 61.69 59.70 2dey s THR 140 Cb -0.16 -2.06 -0.03 0.00 1.34 0.00 0.00 72.50 71.60 2dey s THR 140 CO 0.11 0.58 1.08 0.26 -0.54 0.00 0.00 174.62 176.11 2dey s TRP 141 N -0.53 2.83 0.00 3.99 0.52 -1.26 -2.70 118.94 121.79 2dey s TRP 141 Ca 0.07 1.53 0.00 0.00 0.02 0.00 0.00 56.10 57.72 2dey s TRP 141 Cb -0.11 -3.09 0.00 0.00 -1.15 0.00 0.00 33.47 29.11 2dey s TRP 141 CO 0.01 -1.33 0.00 0.41 0.02 0.00 0.00 176.95 176.06 2dey n GLY 142 N -0.65 2.20 0.31 0.98 0.00 -0.28 -4.29 105.19 103.46 2dey n GLY 142 Ca 0.10 -2.00 0.16 0.00 0.00 0.00 0.00 46.02 44.28 2dey n GLY 142 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2dey h PRO 143 N 0.00 0.00 -0.52 1.61 0.11 -1.83 0.02 132.00 131.38 2dey h PRO 143 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2dey h PRO 143 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2dey h PRO 143 CO 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.79 2dey n GLY 145 N 0.64 0.76 3.26 0.00 0.00 -0.01 -5.09 105.19 104.74 2dey n GLY 145 Ca 0.24 -1.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.14 2dey n GLY 145 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dey s GLN 146 N -3.15 0.53 0.00 1.61 0.74 -1.10 -4.91 119.66 113.40 2dey s GLN 146 Ca 0.19 0.25 0.00 0.00 0.05 0.00 0.00 55.36 55.84 2dey s GLN 146 Cb -0.01 0.25 0.00 0.00 1.10 0.00 0.00 33.01 34.35 2dey s GLN 146 CO 0.12 -0.11 0.00 0.41 -0.55 0.00 0.00 175.29 175.17 2dey n GLY 147 N 2.24 4.44 3.86 2.59 0.00 0.20 -0.92 105.19 117.60 2dey n GLY 147 Ca -0.16 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 2dey n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dey s ALA 148 N -0.32 3.08 0.02 4.61 0.00 -1.23 -4.69 121.76 123.23 2dey s ALA 148 Ca 0.00 -0.03 0.03 0.00 0.00 0.00 0.00 51.96 51.96 2dey s ALA 148 Cb 0.00 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 2dey s ALA 148 CO 0.00 -0.62 -0.04 0.42 0.00 0.00 0.00 175.76 175.52 2dey s ILE 149 N -3.07 3.84 -0.05 0.00 1.09 -1.26 -1.61 121.20 120.13 2dey s ILE 149 Ca 0.56 -0.79 0.04 0.00 -1.10 0.00 0.00 60.65 59.36 2dey s ILE 149 Cb -0.11 -2.72 -0.00 0.00 -1.06 0.00 0.00 42.46 38.57 2dey s ILE 149 CO 0.50 0.33 -0.17 -0.22 -0.10 0.00 0.00 174.94 175.27 2dey s LEU 150 N -1.65 1.90 0.09 2.97 0.20 -0.36 -4.82 118.68 117.00 2dey s LEU 150 Ca 0.19 -0.37 -0.12 0.00 0.69 0.00 0.00 54.13 54.53 2dey s LEU 150 Cb -0.11 -1.00 -0.06 0.00 -0.43 0.00 0.00 46.19 44.59 2dey s LEU 150 CO 0.10 0.14 0.45 -0.76 -0.29 0.00 0.00 176.35 176.00 2dey s LEU 151 N 0.15 4.37 0.01 -0.68 1.43 -1.26 -0.01 118.68 122.69 2dey s LEU 151 Ca -0.07 0.92 -0.30 0.00 -1.03 0.00 0.00 54.13 53.65 2dey s LEU 151 Cb -0.13 -3.02 -0.05 0.00 0.03 0.00 0.00 46.19 43.03 2dey s LEU 151 CO 0.03 0.17 1.18 -0.69 0.23 0.00 0.00 176.35 177.27 2dey s VAL 152 N -1.37 4.20 -1.34 -1.59 1.01 -1.26 -1.97 120.40 118.07 2dey s VAL 152 Ca 0.33 1.56 -0.09 0.00 0.00 0.00 0.00 61.98 63.78 2dey s VAL 152 Cb -0.15 -4.00 0.12 0.00 0.00 0.00 0.00 36.38 32.35 2dey s VAL 152 CO 0.18 0.08 2.13 -3.20 0.00 0.00 0.00 175.10 174.28 2dey n ASN 153 N 4.39 5.90 -1.23 3.32 5.15 -0.83 -4.65 115.26 127.30 2dey n ASN 153 Ca 0.09 -3.04 0.11 0.00 -0.60 0.00 0.00 54.58 51.15 2dey n ASN 153 Cb 0.47 -1.48 0.27 0.00 -0.53 0.00 0.00 39.78 38.51 2dey n ASN 153 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2dey n ASP 155 N 1.52 0.00 -3.25 0.00 5.75 -1.26 -0.03 116.55 119.28 2dey n ASP 155 Ca 0.22 -0.72 -0.18 0.00 -0.01 0.00 0.00 54.79 54.10 2dey n ASP 155 Cb 0.60 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.63 2dey n ASP 155 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 2dey s ARG 156 N -0.86 0.81 0.37 0.11 3.52 -0.80 -0.93 118.95 121.17 2dey s ARG 156 Ca 0.00 -1.31 0.19 0.00 -0.13 0.00 0.00 55.73 54.48 2dey s ARG 156 Cb 0.00 -0.81 0.62 0.00 -1.56 0.00 0.00 34.95 33.20 2dey s ARG 156 CO 0.00 -1.29 1.70 -0.44 -0.81 0.00 0.00 175.30 174.46 2dey h ASP 157 N 6.18 0.00 -2.42 -2.12 3.32 -1.93 -2.04 116.42 117.41 2dey h ASP 157 Ca 0.12 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.62 2dey h ASP 157 Cb 1.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.57 2dey h ASP 157 CO 0.21 0.37 1.24 0.21 -1.72 0.00 0.00 179.24 179.56 2dey s ASN 158 N -6.39 6.25 0.27 6.45 3.84 -1.26 -4.87 114.94 119.23 2dey s ASN 158 Ca 0.01 2.20 -0.30 0.00 0.21 0.00 0.00 52.86 54.98 2dey s ASN 158 Cb 0.10 -2.53 -0.10 0.00 -0.55 0.00 0.00 41.25 38.17 2dey s ASN 158 CO 0.69 -1.28 1.41 -0.76 -2.79 0.00 0.00 177.10 174.37 2dey s LEU 159 N 5.39 4.39 -0.60 3.21 1.43 -1.26 -3.22 118.68 128.03 2dey s LEU 159 Ca 0.85 2.68 0.00 0.00 -1.03 0.00 0.00 54.13 56.63 2dey s LEU 159 Cb -0.35 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.24 2dey s LEU 159 CO 0.35 -0.67 0.00 -0.62 0.23 0.00 0.00 176.35 175.65 2dey n GLU 160 N 1.93 -0.88 -3.87 1.70 1.02 -1.26 -5.00 120.64 114.28 2dey n GLU 160 Ca 0.05 0.58 -0.21 0.00 -0.02 0.00 0.00 57.16 57.56 2dey n GLU 160 Cb 0.41 -4.45 -0.03 0.00 -0.02 0.00 0.00 31.44 27.35 2dey n GLU 160 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2dey s SER 161 N -2.46 5.66 -0.22 1.62 0.15 -1.20 -5.05 113.70 112.20 2dey s SER 161 Ca 0.00 -0.27 0.10 0.00 0.70 0.00 0.00 55.95 56.48 2dey s SER 161 Cb 0.00 -1.30 -0.20 0.00 -1.71 0.00 0.00 66.02 62.80 2dey s SER 161 CO 0.00 -0.22 -0.07 -1.54 1.20 0.00 0.00 173.24 172.60 2dey n SER 162 N -1.37 1.06 -4.83 5.45 3.41 -1.26 -5.02 113.62 111.06 2dey n SER 162 Ca -0.05 -0.06 -0.33 0.00 -0.26 0.00 0.00 58.87 58.17 2dey n SER 162 Cb 0.58 0.32 -0.07 0.00 -0.26 0.00 0.00 64.21 64.79 2dey n SER 162 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dey s ALA 163 N -2.49 3.15 0.70 7.33 0.00 -1.26 -5.06 121.76 124.13 2dey s ALA 163 Ca -0.21 0.26 -0.16 0.00 0.00 0.00 0.00 51.96 51.84 2dey s ALA 163 Cb 0.07 -3.00 0.01 0.00 0.00 0.00 0.00 23.12 20.20 2dey s ALA 163 CO 0.70 0.20 1.21 -1.33 0.00 0.00 0.00 175.76 176.54 2dey n MET 164 N -0.55 0.78 -0.11 0.00 0.00 -1.26 -4.80 117.12 111.17 2dey n MET 164 Ca 0.06 0.33 0.02 0.00 0.00 0.00 0.00 57.70 58.10 2dey n MET 164 Cb 0.54 -2.45 0.32 0.00 0.00 0.00 0.00 33.22 31.62 2dey n MET 164 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 2dey h ASP 165 N 0.04 0.67 0.00 7.83 3.32 -1.11 -2.68 116.42 124.49 2dey h ASP 165 Ca -0.49 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.53 2dey h ASP 165 Cb 1.33 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2dey h ASP 165 CO 0.50 0.52 0.00 0.00 -1.72 0.00 0.00 179.24 178.54 2dey h GLU 167 N 0.00 0.00 -6.57 0.00 5.08 -1.79 -3.46 114.58 107.84 2dey h GLU 167 Ca 0.00 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.89 2dey h GLU 167 Cb 0.00 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.27 2dey h GLU 167 CO 0.00 0.60 -0.15 0.16 -1.00 0.00 0.00 179.01 178.63 2dey s ASP 168 N -6.53 5.24 -0.50 1.42 1.47 -1.25 -5.03 116.67 111.49 2dey s ASP 168 Ca 0.02 -0.74 0.02 0.00 1.18 0.00 0.00 52.55 53.04 2dey s ASP 168 Cb 0.09 0.04 0.58 0.00 -0.34 0.00 0.00 42.92 43.29 2dey s ASP 168 CO 0.75 -1.18 1.90 -0.90 0.68 0.00 0.00 175.17 176.42 2dey n ASP 169 N -2.13 5.01 -4.08 2.11 5.75 -1.26 -4.98 116.55 116.96 2dey n ASP 169 Ca 0.13 -3.69 -0.13 0.00 -0.01 0.00 0.00 54.79 51.09 2dey n ASP 169 Cb 0.61 -0.85 -0.11 0.00 -1.03 0.00 0.00 41.12 39.73 2dey n ASP 169 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2dey s GLU 170 N -3.48 0.59 -0.43 0.11 2.02 -1.26 -4.49 118.70 111.75 2dey s GLU 170 Ca 0.58 -0.83 -0.16 0.00 0.02 0.00 0.00 54.97 54.59 2dey s GLU 170 Cb 0.48 -0.35 0.03 0.00 0.10 0.00 0.00 34.13 34.40 2dey s GLU 170 CO 0.06 0.06 0.38 0.08 0.02 0.00 0.00 175.26 175.85 2dey s VAL 171 N -1.54 5.19 -0.67 2.63 1.01 -1.26 -4.94 120.40 120.81 2dey s VAL 171 Ca -0.07 -0.65 0.22 0.00 0.00 0.00 0.00 61.98 61.47 2dey s VAL 171 Cb -0.09 -4.02 -0.23 0.00 0.00 0.00 0.00 36.38 32.04 2dey s VAL 171 CO 0.00 -0.43 0.84 0.18 0.00 0.00 0.00 175.10 175.69 2dey n LEU 172 N 5.35 0.65 -3.85 3.92 4.77 -1.26 -4.88 117.00 121.69 2dey n LEU 172 Ca -0.10 -0.26 -0.14 0.00 -0.03 0.00 0.00 56.01 55.48 2dey n LEU 172 Cb 0.46 -0.03 -0.15 0.00 -2.33 0.00 0.00 43.42 41.38 2dey n LEU 172 CO 0.44 0.14 -0.36 -1.81 -1.33 0.00 0.00 177.39 174.47 2dey s ASP 173 N -3.57 0.15 0.34 -1.43 1.01 -1.26 -5.03 116.67 106.88 2dey s ASP 173 Ca 0.03 -0.01 0.04 0.00 0.71 0.00 0.00 52.55 53.32 2dey s ASP 173 Cb 0.15 -0.06 0.60 0.00 1.01 0.00 0.00 42.92 44.63 2dey s ASP 173 CO 0.86 -0.04 1.89 0.77 0.21 0.00 0.00 175.17 178.86 2dey h SER 174 N 6.59 0.54 0.97 0.27 4.64 -2.00 -1.93 113.55 122.61 2dey h SER 174 Ca -0.33 -0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 60.88 2dey h SER 174 Cb 1.17 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2dey h SER 174 CO 0.50 0.56 -0.14 1.05 -0.87 0.00 0.00 176.83 177.93 2dey h GLU 175 N 0.56 0.00 -0.85 4.77 9.09 -1.99 -2.93 114.58 123.23 2dey h GLU 175 Ca 0.13 0.00 0.10 0.00 0.05 0.00 0.00 59.36 59.64 2dey h GLU 175 Cb 0.27 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.31 2dey h GLU 175 CO 0.00 0.14 0.55 0.22 0.05 0.00 0.00 179.01 179.97 2dey h ASP 176 N 0.00 0.73 -0.19 3.06 3.58 -1.75 -2.10 116.42 119.74 2dey h ASP 176 Ca -0.00 0.02 0.06 0.00 0.42 0.00 0.00 57.03 57.53 2dey h ASP 176 Cb 0.66 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.57 2dey h ASP 176 CO 0.02 0.43 0.25 -0.07 -2.88 0.00 0.00 179.24 176.99 2dey h LEU 177 N 0.81 0.00 -1.89 2.28 3.38 -1.61 0.59 115.31 118.87 2dey h LEU 177 Ca 0.39 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.35 2dey h LEU 177 Cb 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 2dey h LEU 177 CO -0.16 0.00 -0.08 1.56 0.09 0.00 0.00 178.44 179.85 2dey h GLN 178 N 0.00 0.00 0.00 1.13 4.20 -1.55 -2.12 115.11 116.77 2dey h GLN 178 Ca 0.09 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 2dey h GLN 178 Cb 0.60 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 2dey h GLN 178 CO -0.00 0.08 -0.23 -0.44 -0.67 0.00 0.00 178.83 177.56 2dey h ASP 179 N 0.00 0.00 -3.48 1.46 3.32 -1.03 -3.44 116.42 113.25 2dey h ASP 179 Ca -0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 2dey h ASP 179 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 2dey h ASP 179 CO 0.01 0.23 0.02 -0.04 -1.72 0.00 0.00 179.24 177.74 2dey s MET 180 N -3.23 3.70 -0.12 3.56 -1.94 -0.80 -4.57 119.30 115.90 2dey s MET 180 Ca 0.04 0.26 -0.15 0.00 -1.71 0.00 0.00 55.69 54.12 2dey s MET 180 Cb 0.07 -2.49 -0.05 0.00 2.01 0.00 0.00 34.83 34.38 2dey s MET 180 CO 0.68 0.04 0.37 -1.12 -0.01 0.00 0.00 175.02 174.99 2dey s SER 181 N -3.27 6.58 0.09 3.03 0.01 -0.41 -4.83 113.70 114.90 2dey s SER 181 Ca 0.48 0.68 -0.29 0.00 1.31 0.00 0.00 55.95 58.14 2dey s SER 181 Cb -0.10 -2.23 -0.06 0.00 0.21 0.00 0.00 66.02 63.84 2dey s SER 181 CO 0.32 0.11 0.91 -0.22 0.41 0.00 0.00 173.24 174.77 2dey s LEU 182 N 0.25 4.48 -0.02 2.44 2.96 -1.26 -1.31 118.68 126.22 2dey s LEU 182 Ca 0.21 1.70 0.04 0.00 -0.22 0.00 0.00 54.13 55.86 2dey s LEU 182 Cb -0.14 -3.49 -0.00 0.00 0.50 0.00 0.00 46.19 43.05 2dey s LEU 182 CO 0.08 -0.05 -0.13 -0.32 -1.32 0.00 0.00 176.35 174.61 2dey s MET 183 N 0.00 1.19 0.01 1.98 -2.45 0.15 -4.40 119.30 115.78 2dey s MET 183 Ca 0.45 -0.45 0.05 0.00 -1.25 0.00 0.00 55.69 54.49 2dey s MET 183 Cb -0.23 -1.10 -0.02 0.00 1.25 0.00 0.00 34.83 34.74 2dey s MET 183 CO 0.28 0.22 -0.15 0.95 1.05 0.00 0.00 175.02 177.37 2dey s THR 184 N -0.07 1.19 -0.28 10.11 -4.23 0.18 0.10 115.64 122.64 2dey s THR 184 Ca 0.01 -0.79 -0.06 0.00 -1.18 0.00 0.00 61.69 59.67 2dey s THR 184 Cb -0.08 -1.02 0.01 0.00 1.34 0.00 0.00 72.50 72.75 2dey s THR 184 CO 0.00 0.22 0.05 -0.22 -0.54 0.00 0.00 174.62 174.13 2dey s LEU 185 N -0.66 3.64 -0.20 4.79 0.20 -0.18 0.27 118.68 126.55 2dey s LEU 185 Ca 0.05 -0.67 -0.07 0.00 0.69 0.00 0.00 54.13 54.13 2dey s LEU 185 Cb -0.07 -1.84 -0.03 0.00 -0.43 0.00 0.00 46.19 43.82 2dey s LEU 185 CO 0.00 -0.16 0.04 -0.44 -0.29 0.00 0.00 176.35 175.51 2dey s SER 186 N 1.48 5.27 0.03 3.68 0.01 -0.24 -1.19 113.70 122.75 2dey s SER 186 Ca 0.03 -0.06 0.07 0.00 1.31 0.00 0.00 55.95 57.29 2dey s SER 186 Cb -0.17 -1.91 -0.02 0.00 0.21 0.00 0.00 66.02 64.13 2dey s SER 186 CO 0.01 0.10 -0.20 0.42 0.41 0.00 0.00 173.24 173.98 2dey s THR 187 N 0.80 1.60 -0.17 1.44 -4.23 -0.74 -0.77 115.64 113.56 2dey s THR 187 Ca 0.02 -1.09 -0.03 0.00 -1.18 0.00 0.00 61.69 59.41 2dey s THR 187 Cb -0.14 -1.38 0.05 0.00 1.34 0.00 0.00 72.50 72.38 2dey s THR 187 CO 0.02 0.25 0.03 -0.75 -0.54 0.00 0.00 174.62 173.64 2dey s LYS 188 N -0.99 0.58 0.16 3.99 2.20 -0.56 -1.10 119.74 124.02 2dey s LYS 188 Ca 0.07 -0.28 -0.04 0.00 -0.36 0.00 0.00 55.97 55.36 2dey s LYS 188 Cb -0.08 -1.86 -0.03 0.00 -1.51 0.00 0.00 37.83 34.34 2dey s LYS 188 CO 0.01 -0.58 0.15 0.95 -0.36 0.00 0.00 175.35 175.52 2dey s THR 189 N 1.91 0.07 0.71 3.43 -4.23 0.25 -1.17 115.64 116.61 2dey s THR 189 Ca 0.01 -1.76 -0.16 0.00 -1.18 0.00 0.00 61.69 58.59 2dey s THR 189 Cb -0.16 -2.07 0.00 0.00 1.34 0.00 0.00 72.50 71.61 2dey s THR 189 CO -0.08 -0.32 0.98 -2.65 -0.54 0.00 0.00 174.62 172.02 2dey n PRO 190 N -0.17 0.57 -0.09 3.99 -0.02 -1.21 0.16 135.00 138.23 2dey n PRO 190 Ca -0.04 0.25 0.18 0.00 -2.02 0.00 0.00 63.50 61.86 2dey n PRO 190 Cb 0.64 -2.23 0.60 0.00 -0.02 0.00 0.00 33.50 32.48 2dey n PRO 190 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2dey h LYS 191 N -0.16 0.21 -0.66 -0.52 1.57 -1.85 -2.21 116.57 112.95 2dey h LYS 191 Ca -0.48 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2dey h LYS 191 Cb 1.34 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2dey h LYS 191 CO 0.47 0.14 0.00 -0.40 -0.57 0.00 0.00 179.45 179.09 2dey n ASP 192 N -4.43 3.72 -0.24 0.86 3.85 -1.26 -4.08 116.55 114.98 2dey n ASP 192 Ca 0.12 -2.00 -0.04 0.00 -0.71 0.00 0.00 54.79 52.17 2dey n ASP 192 Cb 0.57 -0.44 0.13 0.00 -1.35 0.00 0.00 41.12 40.04 2dey n ASP 192 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 2dey h PHE 193 N 4.18 1.07 -0.36 2.11 3.04 -1.76 -2.52 116.94 122.71 2dey h PHE 193 Ca 0.00 -0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.89 2dey h PHE 193 Cb 0.95 -0.33 0.00 0.00 2.56 0.00 0.00 35.95 39.13 2dey h PHE 193 CO 0.44 0.80 0.00 1.19 -2.02 0.00 0.00 178.31 178.72 2dey n PHE 194 N -4.30 0.48 -0.16 0.41 3.01 -1.26 -2.69 117.46 112.94 2dey n PHE 194 Ca 0.07 -0.24 -0.05 0.00 1.01 0.00 0.00 57.45 58.24 2dey n PHE 194 Cb 0.16 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.68 2dey n PHE 194 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 2dey h THR 195 N 2.18 0.96 -0.08 4.37 2.02 -1.80 -3.35 112.91 117.20 2dey h THR 195 Ca 0.00 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.01 2dey h THR 195 Cb 0.50 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 2dey h THR 195 CO 0.00 0.09 0.00 0.59 0.37 0.00 0.00 175.52 176.57 2dey n ASN 196 N -4.89 2.22 -4.04 4.18 5.03 -1.11 -4.91 115.26 111.75 2dey n ASN 196 Ca 0.04 -2.01 -0.08 0.00 0.87 0.00 0.00 54.58 53.40 2dey n ASN 196 Cb 0.13 -0.06 -0.10 0.00 -1.02 0.00 0.00 39.78 38.73 2dey n ASN 196 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 2dey s HIS 197 N -1.02 0.42 0.03 3.10 3.76 -1.09 -1.25 115.29 119.22 2dey s HIS 197 Ca 0.06 -0.88 0.01 0.00 -0.15 0.00 0.00 55.06 54.10 2dey s HIS 197 Cb 0.03 -0.31 -0.02 0.00 1.11 0.00 0.00 32.58 33.40 2dey s HIS 197 CO 0.04 -0.35 -0.05 0.99 -0.85 0.00 0.00 174.74 174.51 2dey s THR 198 N -3.33 0.30 -0.10 1.30 2.01 0.16 -4.42 115.64 111.55 2dey s THR 198 Ca 0.01 -0.87 -0.01 0.00 0.31 0.00 0.00 61.69 61.14 2dey s THR 198 Cb 0.04 -0.39 -0.03 0.00 0.01 0.00 0.00 72.50 72.13 2dey s THR 198 CO -0.08 -0.37 -0.05 -0.76 -0.69 0.00 0.00 174.62 172.67 2dey s LEU 199 N -1.31 3.27 -0.05 4.42 1.43 -1.26 0.35 118.68 125.53 2dey s LEU 199 Ca -0.11 -0.02 0.04 0.00 -1.03 0.00 0.00 54.13 53.00 2dey s LEU 199 Cb -0.09 -1.74 -0.00 0.00 0.03 0.00 0.00 46.19 44.39 2dey s LEU 199 CO -0.00 0.30 -0.16 0.54 0.23 0.00 0.00 176.35 177.26 2dey s VAL 200 N -0.45 1.34 -0.15 -1.59 0.11 -0.11 -0.77 120.40 118.78 2dey s VAL 200 Ca 0.07 -0.65 -0.07 0.00 -2.93 0.00 0.00 61.98 58.39 2dey s VAL 200 Cb -0.12 -1.16 -0.04 0.00 -1.53 0.00 0.00 36.38 33.53 2dey s VAL 200 CO 0.02 0.39 0.11 -0.22 -3.33 0.00 0.00 175.10 172.07 2dey s LEU 201 N 0.15 4.18 0.12 2.54 0.20 -0.52 -0.52 118.68 124.83 2dey s LEU 201 Ca -0.06 0.31 -0.09 0.00 0.69 0.00 0.00 54.13 54.98 2dey s LEU 201 Cb -0.12 -2.04 -0.00 0.00 -0.43 0.00 0.00 46.19 43.60 2dey s LEU 201 CO 0.02 0.30 0.24 -1.38 -0.29 0.00 0.00 176.35 175.25 2dey s HIS 202 N -0.39 0.25 0.03 5.38 -3.43 0.33 -1.07 115.29 116.39 2dey s HIS 202 Ca 0.11 -0.65 0.03 0.00 -0.80 0.00 0.00 55.06 53.75 2dey s HIS 202 Cb -0.12 -0.05 -0.02 0.00 -1.43 0.00 0.00 32.58 30.97 2dey s HIS 202 CO 0.01 -0.63 -0.09 0.08 -2.00 0.00 0.00 174.74 172.12 2dey s VAL 203 N -3.91 0.68 0.63 -5.38 1.01 -0.20 -0.51 120.40 112.71 2dey s VAL 203 Ca 0.10 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 2dey s VAL 203 Cb 0.04 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 2dey s VAL 203 CO -0.06 -0.15 1.18 0.00 0.00 0.00 0.00 175.10 176.06 2dey n ALA 204 N 1.94 0.82 0.27 5.51 0.00 -1.26 -4.73 120.51 123.06 2dey n ALA 204 Ca -0.19 0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.39 2dey n ALA 204 Cb 0.56 -2.25 0.75 0.00 0.00 0.00 0.00 19.45 18.50 2dey n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dey h ARG 205 N 0.56 0.00 0.00 0.00 3.08 -2.00 -0.95 114.38 115.07 2dey h ARG 205 Ca -0.50 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.54 2dey h ARG 205 Cb 1.35 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.40 2dey h ARG 205 CO 0.52 0.11 -0.05 0.66 -1.07 0.00 0.00 179.97 180.14 2dey h SER 206 N 0.00 0.00 0.00 7.04 4.64 -2.03 -3.21 113.55 119.98 2dey h SER 206 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2dey h SER 206 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2dey h SER 206 CO 0.01 0.05 -0.44 -0.62 -0.87 0.00 0.00 176.83 174.96 2dey n GLU 207 N -3.16 4.27 0.22 4.77 1.02 -0.67 -4.70 120.64 122.39 2dey n GLU 207 Ca 0.01 -0.01 0.18 0.00 -0.02 0.00 0.00 57.16 57.31 2dey n GLU 207 Cb 0.34 -0.78 0.85 0.00 -0.02 0.00 0.00 31.44 31.83 2dey n GLU 207 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dey h MET 208 N 0.00 0.00 -0.00 3.49 -0.00 -1.21 -1.03 114.93 116.17 2dey h MET 208 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2dey h MET 208 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.70 2dey h MET 208 CO 0.00 0.00 -0.08 -0.40 -0.00 0.00 0.00 176.91 176.43 2dey n ASP 209 N -3.65 0.33 -0.47 -0.10 5.75 -1.26 -1.77 116.55 115.37 2dey n ASP 209 Ca 0.01 -0.49 0.05 0.00 -0.01 0.00 0.00 54.79 54.36 2dey n ASP 209 Cb 0.34 -0.12 0.08 0.00 -1.03 0.00 0.00 41.12 40.39 2dey n ASP 209 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2dey n LYS 210 N -1.04 1.35 -3.82 0.11 5.02 -0.39 -4.79 118.16 114.60 2dey n LYS 210 Ca 0.15 -1.45 -0.12 0.00 -2.02 0.00 0.00 58.31 54.87 2dey n LYS 210 Cb 0.26 -1.21 -0.09 0.00 -0.02 0.00 0.00 35.03 33.97 2dey n LYS 210 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2dey s VAL 211 N -0.90 0.08 -0.01 -0.18 0.11 -1.22 -1.00 120.40 117.27 2dey s VAL 211 Ca 0.15 -0.67 0.02 0.00 -2.93 0.00 0.00 61.98 58.56 2dey s VAL 211 Cb 0.09 -0.63 -0.00 0.00 -1.53 0.00 0.00 36.38 34.32 2dey s VAL 211 CO 0.13 -0.37 -0.07 -0.60 -3.33 0.00 0.00 175.10 170.87 2dey s ARG 212 N -1.69 0.60 -0.06 1.54 3.52 -0.44 -4.01 118.95 118.40 2dey s ARG 212 Ca -0.12 -0.23 0.05 0.00 -0.13 0.00 0.00 55.73 55.30 2dey s ARG 212 Cb -0.05 -0.59 -0.01 0.00 -1.56 0.00 0.00 34.95 32.75 2dey s ARG 212 CO 0.01 0.12 -0.23 0.08 -0.81 0.00 0.00 175.30 174.48 2dey s VAL 213 N -0.04 1.88 -0.03 7.11 1.01 0.51 -0.98 120.40 129.85 2dey s VAL 213 Ca 0.01 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.10 2dey s VAL 213 Cb -0.04 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 2dey s VAL 213 CO -0.00 0.52 -0.22 -0.36 0.00 0.00 0.00 175.10 175.04 2dey s PHE 214 N 0.01 2.46 -0.25 5.22 0.40 0.90 -0.65 117.98 126.06 2dey s PHE 214 Ca -0.07 -0.36 -0.14 0.00 -0.60 0.00 0.00 56.93 55.75 2dey s PHE 214 Cb -0.14 -1.55 -0.04 0.00 0.51 0.00 0.00 43.02 41.80 2dey s PHE 214 CO 0.04 0.02 0.35 -1.14 0.70 0.00 0.00 175.22 175.19 2dey s GLN 215 N -0.62 4.05 -0.15 0.44 0.74 0.40 -0.64 119.66 123.89 2dey s GLN 215 Ca 0.10 0.02 -0.22 0.00 0.05 0.00 0.00 55.36 55.31 2dey s GLN 215 Cb -0.10 -3.62 -0.03 0.00 1.10 0.00 0.00 33.01 30.36 2dey s GLN 215 CO -0.00 -0.18 0.68 0.00 -0.55 0.00 0.00 175.29 175.23 2dey s ALA 216 N 1.78 3.47 -0.19 1.58 0.00 -0.39 -2.57 121.76 125.45 2dey s ALA 216 Ca 0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 51.96 52.00 2dey s ALA 216 Cb -0.15 -2.99 -0.11 0.00 0.00 0.00 0.00 23.12 19.87 2dey s ALA 216 CO 0.09 -0.39 -0.19 2.41 0.00 0.00 0.00 175.76 177.68 2dey n THR 217 N 4.34 1.04 -4.71 0.00 -1.04 -1.26 -4.27 114.28 108.38 2dey n THR 217 Ca -0.01 -0.35 -0.24 0.00 -2.04 0.00 0.00 64.05 61.41 2dey n THR 217 Cb 0.50 -1.35 -0.15 0.00 -1.82 0.00 0.00 70.33 67.51 2dey n THR 217 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dey s SER 226 N -0.70 0.11 0.23 0.00 1.04 -1.06 -4.71 113.70 108.61 2dey s SER 226 Ca 0.06 -0.16 -0.30 0.00 0.48 0.00 0.00 55.95 56.03 2dey s SER 226 Cb -0.07 0.03 -0.10 0.00 0.10 0.00 0.00 66.02 65.98 2dey s SER 226 CO 0.00 -0.09 1.44 0.54 0.98 0.00 0.00 173.24 176.12 2dey s VAL 227 N -0.46 2.73 -0.08 5.02 0.11 -1.26 -0.45 120.40 126.01 2dey s VAL 227 Ca -0.05 0.60 0.03 0.00 -2.93 0.00 0.00 61.98 59.63 2dey s VAL 227 Cb -0.03 -3.38 -0.07 0.00 -1.53 0.00 0.00 36.38 31.37 2dey s VAL 227 CO -0.00 0.08 -0.03 1.33 -3.33 0.00 0.00 175.10 173.15 2dey n VAL 228 N 2.68 0.49 -4.18 2.04 0.24 0.17 -4.84 118.33 114.93 2dey n VAL 228 Ca 0.08 -0.24 -0.17 0.00 -2.04 0.00 0.00 64.34 61.98 2dey n VAL 228 Cb 0.40 -0.81 -0.12 0.00 -1.47 0.00 0.00 33.84 31.83 2dey n VAL 228 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2dey s LEU 229 N -5.08 2.22 0.00 1.34 1.43 -1.02 -4.47 118.68 113.09 2dey s LEU 229 Ca -0.08 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 2dey s LEU 229 Cb 0.03 -0.40 0.00 0.00 0.03 0.00 0.00 46.19 45.85 2dey s LEU 229 CO 0.24 -0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.35 2dey n GLY 230 N 1.67 -0.92 3.62 -3.19 0.00 -0.07 -0.36 105.19 105.94 2dey n GLY 230 Ca -0.20 -0.98 -0.55 0.00 0.00 0.00 0.00 46.02 44.30 2dey n GLY 230 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2dey n PRO 231 N 0.00 1.03 -2.98 1.61 -0.02 -0.73 -0.68 135.00 133.23 2dey n PRO 231 Ca 0.00 0.37 -0.18 0.00 -2.02 0.00 0.00 63.50 61.67 2dey n PRO 231 Cb 0.00 -2.01 -0.00 0.00 -0.02 0.00 0.00 33.50 31.46 2dey n PRO 231 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2dey n LYS 232 N 3.28 -2.97 -3.00 -0.52 4.01 -1.26 -4.86 118.16 112.83 2dey n LYS 232 Ca 0.21 0.49 -0.15 0.00 -0.51 0.00 0.00 58.31 58.35 2dey n LYS 232 Cb 0.16 -5.15 -0.02 0.00 -0.51 0.00 0.00 35.03 29.51 2dey n LYS 232 CO 0.00 0.00 0.00 0.91 -1.11 0.00 0.00 177.40 177.20 2dey n TRP 233 N -3.66 -2.27 0.75 2.13 7.02 0.14 -5.03 117.44 116.53 2dey n TRP 233 Ca -0.06 -2.41 0.12 0.00 -1.02 0.00 0.00 57.50 54.14 2dey n TRP 233 Cb 0.56 0.82 0.30 0.00 -2.42 0.00 0.00 31.31 30.57 2dey n TRP 233 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 2dey n PRO 234 N 2.26 0.17 -3.88 -0.99 -0.04 -1.25 -0.89 135.00 130.37 2dey n PRO 234 Ca 0.19 0.08 -0.10 0.00 -0.04 0.00 0.00 63.50 63.63 2dey n PRO 234 Cb 0.55 -1.64 -0.09 0.00 -0.04 0.00 0.00 33.50 32.28 2dey n PRO 234 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dey s SER 235 N -3.81 0.08 -0.12 3.54 1.04 -1.26 -1.03 113.70 112.14 2dey s SER 235 Ca 0.09 -0.37 -0.06 0.00 0.48 0.00 0.00 55.95 56.09 2dey s SER 235 Cb 0.15 0.24 0.05 0.00 0.10 0.00 0.00 66.02 66.56 2dey s SER 235 CO 0.66 -0.47 0.29 -2.28 0.98 0.00 0.00 173.24 172.42 2dey s HIS 236 N -2.15 -0.40 -0.00 5.02 2.46 -0.23 -4.96 115.29 115.02 2dey s HIS 236 Ca -0.09 0.91 -0.30 0.00 0.47 0.00 0.00 55.06 56.06 2dey s HIS 236 Cb -0.03 0.10 -0.03 0.00 -0.13 0.00 0.00 32.58 32.49 2dey s HIS 236 CO -0.02 -0.26 1.00 0.71 -2.47 0.00 0.00 174.74 173.70 2dey s TYR 237 N 1.26 3.63 0.07 3.88 4.12 -1.26 -1.44 117.35 127.61 2dey s TYR 237 Ca -0.09 1.65 -0.08 0.00 0.02 0.00 0.00 57.07 58.57 2dey s TYR 237 Cb -0.10 -3.15 -0.06 0.00 -1.52 0.00 0.00 41.96 37.13 2dey s TYR 237 CO -0.09 -0.15 0.37 -0.51 0.02 0.00 0.00 175.55 175.19 2dey s LEU 238 N 1.08 4.34 -0.43 -1.29 1.43 0.05 -4.98 118.68 118.88 2dey s LEU 238 Ca 0.52 0.72 -0.12 0.00 -1.03 0.00 0.00 54.13 54.22 2dey s LEU 238 Cb -0.22 -2.97 0.06 0.00 0.03 0.00 0.00 46.19 43.10 2dey s LEU 238 CO 0.27 0.17 0.31 -0.04 0.23 0.00 0.00 176.35 177.29 2dey s MET 239 N -1.99 2.81 -0.09 1.70 -1.94 -1.26 -4.51 119.30 114.03 2dey s MET 239 Ca 0.33 -1.33 0.01 0.00 -1.71 0.00 0.00 55.69 52.99 2dey s MET 239 Cb -0.14 -3.92 0.02 0.00 2.01 0.00 0.00 34.83 32.80 2dey s MET 239 CO 0.19 -0.93 -0.11 0.08 -0.01 0.00 0.00 175.02 174.23 2dey s VAL 240 N 1.54 1.13 0.40 -6.03 1.01 -1.26 -5.13 120.40 112.07 2dey s VAL 240 Ca 0.03 -0.43 -0.13 0.00 0.00 0.00 0.00 61.98 61.45 2dey s VAL 240 Cb -0.23 -1.07 -0.08 0.00 0.00 0.00 0.00 36.38 35.01 2dey s VAL 240 CO 0.05 0.37 0.81 -2.16 0.00 0.00 0.00 175.10 174.16 2dey s PRO 241 N 1.03 3.89 1.26 2.72 0.04 -1.26 -4.84 135.00 137.84 2dey s PRO 241 Ca -0.07 0.64 -0.19 0.00 0.04 0.00 0.00 61.00 61.41 2dey s PRO 241 Cb -0.15 -2.35 0.31 0.00 0.04 0.00 0.00 34.50 32.35 2dey s PRO 241 CO -0.01 -0.03 1.04 0.20 0.04 0.00 0.00 177.00 178.25 2dey s GLY 242 N -2.86 1.52 0.00 0.56 0.00 -1.26 -4.71 107.32 100.58 2dey s GLY 242 Ca 0.54 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 44.45 2dey s GLY 242 CO 0.27 0.09 0.00 0.61 0.00 0.00 0.00 173.10 174.07 2dey n GLY 243 N -0.07 -0.34 3.78 0.20 0.00 0.12 -4.75 105.19 104.15 2dey n GLY 243 Ca 0.12 -1.13 -0.36 0.00 0.00 0.00 0.00 46.02 44.64 2dey n GLY 243 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dey s LYS 244 N 0.00 3.95 0.03 1.61 0.00 -1.26 -0.58 119.74 123.50 2dey s LYS 244 Ca 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 55.97 55.83 2dey s LYS 244 Cb 0.00 -3.34 -0.00 0.00 0.00 0.00 0.00 37.83 34.49 2dey s LYS 244 CO 0.00 0.46 0.15 -1.58 0.00 0.00 0.00 175.35 174.38 2dey s HIS 245 N -0.16 0.11 -0.05 1.78 2.46 -0.26 -5.01 115.29 114.17 2dey s HIS 245 Ca 0.13 -0.35 -0.02 0.00 0.47 0.00 0.00 55.06 55.29 2dey s HIS 245 Cb -0.12 -0.08 0.04 0.00 -0.13 0.00 0.00 32.58 32.28 2dey s HIS 245 CO 0.02 -0.38 0.09 -0.80 -2.47 0.00 0.00 174.74 171.20 2dey s ASN 246 N -2.01 0.79 -0.19 9.88 -0.87 -1.26 -1.80 114.94 119.49 2dey s ASN 246 Ca -0.06 0.16 0.00 0.00 -1.57 0.00 0.00 52.86 51.39 2dey s ASN 246 Cb -0.02 0.01 0.01 0.00 -0.02 0.00 0.00 41.25 41.23 2dey s ASN 246 CO -0.03 -0.22 -0.17 -0.32 -2.57 0.00 0.00 177.10 173.79 2dey s MET 247 N 1.98 3.08 -0.05 -0.60 1.75 -0.33 -4.97 119.30 120.16 2dey s MET 247 Ca 0.01 -0.78 -0.13 0.00 -1.25 0.00 0.00 55.69 53.54 2dey s MET 247 Cb -0.12 -2.66 -0.05 0.00 2.84 0.00 0.00 34.83 34.84 2dey s MET 247 CO -0.04 -0.19 0.33 -0.51 -0.65 0.00 0.00 175.02 173.97 2dey s ASP 248 N 1.28 6.66 0.17 1.11 -0.00 -1.26 -1.01 116.67 123.62 2dey s ASP 248 Ca 0.04 0.78 0.10 0.00 -0.00 0.00 0.00 52.55 53.47 2dey s ASP 248 Cb -0.13 -2.20 -0.04 0.00 -0.00 0.00 0.00 42.92 40.54 2dey s ASP 248 CO -0.10 0.30 -0.21 -0.36 -0.00 0.00 0.00 175.17 174.81 2dey s PHE 249 N -0.80 2.01 -0.08 4.23 0.40 0.29 -1.26 117.98 122.77 2dey s PHE 249 Ca 0.21 -0.42 0.03 0.00 -0.60 0.00 0.00 56.93 56.15 2dey s PHE 249 Cb -0.15 -1.01 0.01 0.00 0.51 0.00 0.00 43.02 42.38 2dey s PHE 249 CO 0.10 0.38 -0.17 0.71 0.70 0.00 0.00 175.22 176.94 2dey s TYR 250 N -1.77 1.90 -0.10 0.36 1.51 0.19 -0.67 117.35 118.77 2dey s TYR 250 Ca 0.16 -0.74 0.04 0.00 -1.01 0.00 0.00 57.07 55.53 2dey s TYR 250 Cb -0.07 -1.32 0.00 0.00 -0.11 0.00 0.00 41.96 40.45 2dey s TYR 250 CO 0.07 -0.33 -0.24 0.08 -1.11 0.00 0.00 175.55 174.03 2dey s VAL 251 N 0.52 2.04 -0.01 0.71 1.01 -0.43 -0.07 120.40 124.18 2dey s VAL 251 Ca -0.16 -1.01 0.07 0.00 0.00 0.00 0.00 61.98 60.88 2dey s VAL 251 Cb -0.17 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 2dey s VAL 251 CO 0.06 0.56 -0.22 -1.83 0.00 0.00 0.00 175.10 173.66 2dey s GLU 252 N 0.36 2.15 0.33 2.72 -1.05 -0.15 -1.28 118.70 121.76 2dey s GLU 252 Ca -0.19 -0.91 -0.12 0.00 -0.15 0.00 0.00 54.97 53.60 2dey s GLU 252 Cb -0.18 -2.13 -0.08 0.00 -0.44 0.00 0.00 34.13 31.30 2dey s GLU 252 CO 0.09 0.56 0.71 0.00 0.95 0.00 0.00 175.26 177.57 2dey s ALA 253 N -0.72 3.38 -0.56 -0.84 0.00 -0.83 -1.33 121.76 120.86 2dey s ALA 253 Ca 0.11 -0.10 0.05 0.00 0.00 0.00 0.00 51.96 52.02 2dey s ALA 253 Cb -0.10 -2.68 0.04 0.00 0.00 0.00 0.00 23.12 20.38 2dey s ALA 253 CO 0.01 0.27 0.67 1.28 0.00 0.00 0.00 175.76 177.99 2dey n LEU 254 N -0.61 1.45 -3.70 0.00 4.77 -0.17 -1.97 117.00 116.76 2dey n LEU 254 Ca 0.02 -1.07 -0.12 0.00 -0.03 0.00 0.00 56.01 54.82 2dey n LEU 254 Cb 0.53 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.52 2dey n LEU 254 CO 0.44 0.32 0.18 0.00 -1.33 0.00 0.00 177.39 176.99 2dey s ALA 255 N -0.42 -1.26 0.58 -1.18 0.00 -1.26 -4.97 121.76 113.24 2dey s ALA 255 Ca 0.06 1.53 -0.16 0.00 0.00 0.00 0.00 51.96 53.39 2dey s ALA 255 Cb 0.04 -0.90 -0.05 0.00 0.00 0.00 0.00 23.12 22.22 2dey s ALA 255 CO 0.06 -0.26 1.04 -0.06 0.00 0.00 0.00 175.76 176.55 2dey s PHE 256 N 0.60 3.08 0.55 0.00 0.40 -1.26 -4.89 117.98 116.45 2dey s PHE 256 Ca -0.03 1.50 -0.20 0.00 -0.60 0.00 0.00 56.93 57.61 2dey s PHE 256 Cb -0.05 -2.97 -0.07 0.00 0.51 0.00 0.00 43.02 40.45 2dey s PHE 256 CO -0.04 -0.97 0.86 -2.30 0.70 0.00 0.00 175.22 173.47 2dey n PRO 257 N -1.93 0.90 -3.82 0.24 -0.02 -1.26 -4.89 135.00 124.21 2dey n PRO 257 Ca 0.08 0.34 -0.06 0.00 -2.02 0.00 0.00 63.50 61.85 2dey n PRO 257 Cb 0.53 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 2dey n PRO 257 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2dey s ASP 258 N -1.10 -0.10 0.51 2.55 -1.08 0.30 -4.68 116.67 113.07 2dey s ASP 258 Ca 0.71 -0.73 0.31 0.00 -0.52 0.00 0.00 52.55 52.32 2dey s ASP 258 Cb -0.46 0.65 1.44 0.00 -1.46 0.00 0.00 42.92 43.09 2dey s ASP 258 CO 0.51 -1.26 1.83 0.00 0.52 0.00 0.00 175.17 176.78 2dey h THR 259 N 2.00 0.49 -0.01 1.71 1.03 -1.93 0.33 112.91 116.53 2dey h THR 259 Ca -0.26 -0.03 0.00 0.00 -0.01 0.00 0.00 66.41 66.11 2dey h THR 259 Cb 1.24 0.41 0.00 0.00 -1.07 0.00 0.00 68.15 68.72 2dey h THR 259 CO 0.32 0.01 -0.23 -0.90 -0.01 0.00 0.00 175.52 174.71 2dey n ASP 260 N -4.30 1.01 -3.34 0.00 5.75 -1.26 -4.82 116.55 109.59 2dey n ASP 260 Ca 0.23 -0.90 -0.12 0.00 -0.01 0.00 0.00 54.79 53.99 2dey n ASP 260 Cb 1.06 0.11 -0.07 0.00 -1.03 0.00 0.00 41.12 41.18 2dey n ASP 260 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2dey s PHE 261 N -2.47 -0.80 0.61 2.11 5.36 0.12 -5.02 117.98 117.89 2dey s PHE 261 Ca 0.25 0.09 0.32 0.00 -0.96 0.00 0.00 56.93 56.63 2dey s PHE 261 Cb 0.19 -0.27 1.79 0.00 -0.34 0.00 0.00 43.02 44.40 2dey s PHE 261 CO 0.50 -0.97 2.13 -1.35 -1.46 0.00 0.00 175.22 174.08 2dey h PRO 262 N 8.12 0.00 0.00 10.12 0.11 -1.88 0.86 132.00 149.33 2dey h PRO 262 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2dey h PRO 262 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2dey h PRO 262 CO 0.28 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.48 2dey n GLY 263 N -1.32 1.40 3.51 -0.55 0.00 -1.26 -4.82 105.19 102.15 2dey n GLY 263 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2dey n GLY 263 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dey s LEU 264 N 0.00 3.13 -0.09 0.99 1.43 -1.26 0.36 118.68 123.24 2dey s LEU 264 Ca 0.00 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 2dey s LEU 264 Cb 0.00 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.52 2dey s LEU 264 CO 0.00 0.25 -0.14 -0.63 0.23 0.00 0.00 176.35 176.06 2dey s ILE 265 N -0.14 1.36 -0.14 -0.59 -1.09 -0.02 -4.98 121.20 115.59 2dey s ILE 265 Ca 0.02 -0.58 -0.02 0.00 -2.23 0.00 0.00 60.65 57.84 2dey s ILE 265 Cb -0.13 -1.24 -0.02 0.00 -1.58 0.00 0.00 42.46 39.49 2dey s ILE 265 CO 0.03 0.41 -0.09 -0.89 -1.23 0.00 0.00 174.94 173.16 2dey s THR 266 N 0.83 3.39 -0.07 2.92 2.01 -1.26 -0.05 115.64 123.40 2dey s THR 266 Ca -0.11 -0.54 0.05 0.00 0.31 0.00 0.00 61.69 61.40 2dey s THR 266 Cb -0.15 -2.45 -0.01 0.00 0.01 0.00 0.00 72.50 69.89 2dey s THR 266 CO 0.01 0.51 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.48 2dey s LEU 267 N 0.33 2.25 -0.02 4.42 1.43 -0.55 -4.30 118.68 122.24 2dey s LEU 267 Ca -0.08 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 52.62 2dey s LEU 267 Cb -0.15 -1.43 -0.01 0.00 0.03 0.00 0.00 46.19 44.63 2dey s LEU 267 CO 0.05 0.24 -0.16 -0.89 0.23 0.00 0.00 176.35 175.82 2dey s THR 268 N -0.14 1.31 -0.23 5.49 2.01 0.33 -0.74 115.64 123.67 2dey s THR 268 Ca -0.03 -0.69 -0.08 0.00 0.31 0.00 0.00 61.69 61.19 2dey s THR 268 Cb -0.14 -1.10 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 2dey s THR 268 CO 0.04 0.37 0.09 -0.51 -0.69 0.00 0.00 174.62 173.93 2dey s ILE 269 N -0.24 4.75 -0.11 1.82 1.10 0.48 -0.51 121.20 128.48 2dey s ILE 269 Ca 0.03 -0.03 -0.01 0.00 -0.51 0.00 0.00 60.65 60.13 2dey s ILE 269 Cb -0.08 -3.20 -0.03 0.00 0.15 0.00 0.00 42.46 39.31 2dey s ILE 269 CO 0.00 0.37 -0.08 -0.44 -2.11 0.00 0.00 174.94 172.69 2dey s SER 270 N 1.10 4.51 -0.20 4.50 0.01 0.32 -1.40 113.70 122.55 2dey s SER 270 Ca 0.05 -0.14 -0.15 0.00 1.31 0.00 0.00 55.95 57.02 2dey s SER 270 Cb -0.14 -1.47 -0.04 0.00 0.21 0.00 0.00 66.02 64.58 2dey s SER 270 CO 0.04 0.25 0.35 -0.22 0.41 0.00 0.00 173.24 174.06 2dey s LEU 271 N -0.12 4.16 -0.04 2.44 2.96 -0.04 -0.93 118.68 127.11 2dey s LEU 271 Ca 0.01 0.45 0.06 0.00 -0.22 0.00 0.00 54.13 54.43 2dey s LEU 271 Cb -0.13 -2.43 -0.02 0.00 0.50 0.00 0.00 46.19 44.11 2dey s LEU 271 CO 0.03 -0.03 -0.23 -0.76 -1.32 0.00 0.00 176.35 174.04 2dey s LEU 272 N 1.16 2.20 -0.38 -0.68 1.43 0.16 -0.69 118.68 121.88 2dey s LEU 272 Ca 0.17 -0.43 -0.21 0.00 -1.03 0.00 0.00 54.13 52.63 2dey s LEU 272 Cb -0.14 -1.40 0.01 0.00 0.03 0.00 0.00 46.19 44.69 2dey s LEU 272 CO 0.07 0.30 0.68 -0.62 0.23 0.00 0.00 176.35 177.00 2dey s ASP 273 N -0.48 6.43 -0.29 2.29 3.68 0.03 -0.66 116.67 127.67 2dey s ASP 273 Ca 0.06 0.08 0.08 0.00 2.13 0.00 0.00 52.55 54.90 2dey s ASP 273 Cb -0.11 -2.34 0.49 0.00 -1.45 0.00 0.00 42.92 39.50 2dey s ASP 273 CO 0.01 -0.68 1.42 0.35 0.13 0.00 0.00 175.17 176.40 2dey n THR 274 N 5.72 2.54 0.06 1.71 -2.24 -0.38 -2.30 114.28 119.39 2dey n THR 274 Ca -0.00 -3.01 -0.03 0.00 -2.27 0.00 0.00 64.05 58.73 2dey n THR 274 Cb 0.48 -0.42 0.19 0.00 -2.10 0.00 0.00 70.33 68.48 2dey n THR 274 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2dey h SER 275 N 1.16 0.36 -3.68 3.42 0.02 -1.90 -3.43 113.55 109.50 2dey h SER 275 Ca 0.22 -0.15 -0.65 0.00 -0.84 0.00 0.00 61.79 60.36 2dey h SER 275 Cb 1.50 -0.10 -0.22 0.00 0.14 0.00 0.00 62.40 63.72 2dey h SER 275 CO 0.41 0.72 -0.60 0.20 -1.14 0.00 0.00 176.83 176.43 2dey s ASN 276 N -6.86 5.33 0.34 3.07 -0.87 -1.26 -4.95 114.94 109.73 2dey s ASN 276 Ca -0.05 -0.27 0.14 0.00 -1.57 0.00 0.00 52.86 51.11 2dey s ASN 276 Cb 0.13 -1.96 0.58 0.00 -0.02 0.00 0.00 41.25 39.98 2dey s ASN 276 CO 0.79 -0.08 1.71 -0.07 -2.57 0.00 0.00 177.10 176.89 2dey h LEU 277 N 8.28 0.00 -2.70 0.60 -0.00 -1.98 -3.04 115.31 116.47 2dey h LEU 277 Ca -0.36 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.45 2dey h LEU 277 Cb 1.17 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.79 2dey h LEU 277 CO 0.58 0.47 0.08 -0.62 -0.00 0.00 0.00 178.44 178.95 2dey n GLU 278 N -3.76 3.07 -3.72 1.13 -0.58 -1.26 -4.91 120.64 110.61 2dey n GLU 278 Ca -0.01 -1.91 -0.14 0.00 -0.42 0.00 0.00 57.16 54.68 2dey n GLU 278 Cb 0.52 -1.92 -0.08 0.00 -0.57 0.00 0.00 31.44 29.39 2dey n GLU 278 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2dey s LEU 279 N -1.75 0.58 0.95 -4.62 1.43 -1.15 -5.15 118.68 108.97 2dey s LEU 279 Ca 0.34 0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 53.61 2dey s LEU 279 Cb 0.26 1.46 0.14 0.00 0.03 0.00 0.00 46.19 48.08 2dey s LEU 279 CO 0.09 -0.42 0.96 -2.65 0.23 0.00 0.00 176.35 174.56 2dey n PRO 280 N 1.47 -0.61 -1.95 1.29 -0.02 -1.26 -4.76 135.00 129.15 2dey n PRO 280 Ca -0.20 -0.12 -0.35 0.00 -2.02 0.00 0.00 63.50 60.81 2dey n PRO 280 Cb 0.56 -2.24 0.04 0.00 -0.02 0.00 0.00 33.50 31.84 2dey n PRO 280 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2dey s GLU 281 N -4.38 2.90 -0.10 -0.52 -1.05 -1.26 -4.93 118.70 109.36 2dey s GLU 281 Ca 0.65 1.75 0.01 0.00 -0.15 0.00 0.00 54.97 57.22 2dey s GLU 281 Cb -0.23 -1.93 0.02 0.00 -0.44 0.00 0.00 34.13 31.56 2dey s GLU 281 CO 0.61 -1.24 -0.10 0.00 0.95 0.00 0.00 175.26 175.47 2dey s ALA 282 N -1.74 1.39 0.04 -0.84 0.00 -0.97 -4.95 121.76 114.70 2dey s ALA 282 Ca 0.75 -0.56 -0.31 0.00 0.00 0.00 0.00 51.96 51.85 2dey s ALA 282 Cb -0.28 -0.81 -0.06 0.00 0.00 0.00 0.00 23.12 21.97 2dey s ALA 282 CO 0.35 -0.22 1.24 0.08 0.00 0.00 0.00 175.76 177.21 2dey s VAL 283 N 1.30 3.95 -0.11 0.00 1.01 -1.26 -0.79 120.40 124.49 2dey s VAL 283 Ca -0.02 1.38 0.14 0.00 0.00 0.00 0.00 61.98 63.48 2dey s VAL 283 Cb -0.14 -3.88 -0.21 0.00 0.00 0.00 0.00 36.38 32.15 2dey s VAL 283 CO -0.04 0.08 0.14 0.52 0.00 0.00 0.00 175.10 175.80 2dey n VAL 284 N 4.10 0.74 -3.64 2.92 0.31 0.14 -4.93 118.33 117.97 2dey n VAL 284 Ca 0.10 -0.57 -0.09 0.00 -0.01 0.00 0.00 64.34 63.78 2dey n VAL 284 Cb 0.46 -0.38 -0.07 0.00 -0.91 0.00 0.00 33.84 32.93 2dey n VAL 284 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 2dey s PHE 285 N -2.60 -0.55 0.00 3.52 2.19 -1.20 -5.00 117.98 114.35 2dey s PHE 285 Ca -0.07 1.28 0.04 0.00 0.33 0.00 0.00 56.93 58.51 2dey s PHE 285 Cb 0.06 0.36 -0.01 0.00 -1.31 0.00 0.00 43.02 42.12 2dey s PHE 285 CO 0.64 -0.27 -0.13 -0.65 1.83 0.00 0.00 175.22 176.65 2dey s GLN 286 N 0.47 0.98 0.05 10.12 -0.21 -1.26 -0.86 119.66 128.95 2dey s GLN 286 Ca 0.00 -0.53 -0.03 0.00 0.02 0.00 0.00 55.36 54.83 2dey s GLN 286 Cb -0.05 -0.96 -0.03 0.00 1.00 0.00 0.00 33.01 32.98 2dey s GLN 286 CO -0.07 0.26 0.03 0.34 -2.12 0.00 0.00 175.29 173.72 2dey s ASP 287 N -0.52 0.34 0.18 5.90 2.15 -0.49 -5.01 116.67 119.21 2dey s ASP 287 Ca 0.04 -0.79 -0.12 0.00 0.43 0.00 0.00 52.55 52.11 2dey s ASP 287 Cb -0.06 0.22 0.00 0.00 -0.30 0.00 0.00 42.92 42.78 2dey s ASP 287 CO -0.00 -0.56 0.38 -0.94 -0.17 0.00 0.00 175.17 173.87 2dey s SER 288 N -2.56 -0.06 -0.04 -0.34 1.04 -1.26 -0.39 113.70 110.08 2dey s SER 288 Ca 0.01 -0.76 0.04 0.00 0.48 0.00 0.00 55.95 55.72 2dey s SER 288 Cb 0.03 0.49 -0.00 0.00 0.10 0.00 0.00 66.02 66.65 2dey s SER 288 CO -0.08 -0.97 -0.16 0.68 0.98 0.00 0.00 173.24 173.69 2dey s VAL 289 N -3.95 1.38 -0.24 5.02 -7.23 0.08 -4.84 120.40 110.62 2dey s VAL 289 Ca 0.15 -0.69 -0.08 0.00 -1.81 0.00 0.00 61.98 59.56 2dey s VAL 289 Cb 0.02 -1.19 -0.03 0.00 0.56 0.00 0.00 36.38 35.73 2dey s VAL 289 CO 0.00 0.40 0.09 -0.69 -0.31 0.00 0.00 175.10 174.59 2dey s VAL 290 N 0.06 4.54 0.10 1.32 1.01 -1.26 -1.48 120.40 124.70 2dey s VAL 290 Ca -0.04 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.86 2dey s VAL 290 Cb -0.11 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 2dey s VAL 290 CO 0.02 0.35 0.20 -0.36 0.00 0.00 0.00 175.10 175.30 2dey s PHE 291 N 1.41 3.40 -0.11 5.22 0.40 0.92 -3.54 117.98 125.68 2dey s PHE 291 Ca 0.06 0.15 0.02 0.00 -0.60 0.00 0.00 56.93 56.55 2dey s PHE 291 Cb -0.15 -1.68 -0.01 0.00 0.51 0.00 0.00 43.02 41.70 2dey s PHE 291 CO 0.04 0.55 -0.17 0.50 0.70 0.00 0.00 175.22 176.84 2dey s ARG 292 N -2.77 3.21 0.06 0.44 3.52 -0.64 -0.84 118.95 121.94 2dey s ARG 292 Ca 0.33 -0.76 -0.31 0.00 -0.13 0.00 0.00 55.73 54.87 2dey s ARG 292 Cb -0.12 -2.50 -0.06 0.00 -1.56 0.00 0.00 34.95 30.71 2dey s ARG 292 CO 0.26 0.23 1.33 0.08 -0.81 0.00 0.00 175.30 176.39 2dey s VAL 293 N 0.28 3.68 0.20 7.11 1.01 0.16 -1.23 120.40 131.62 2dey s VAL 293 Ca -0.12 1.16 -0.32 0.00 0.00 0.00 0.00 61.98 62.70 2dey s VAL 293 Cb -0.16 -3.75 -0.11 0.00 0.00 0.00 0.00 36.38 32.36 2dey s VAL 293 CO 0.07 0.06 1.64 0.00 0.00 0.00 0.00 175.10 176.87 2dey s ALA 294 N 1.54 3.85 0.59 5.51 0.00 0.99 -4.78 121.76 129.46 2dey s ALA 294 Ca 0.62 1.50 -0.16 0.00 0.00 0.00 0.00 51.96 53.92 2dey s ALA 294 Cb -0.32 -3.66 -0.04 0.00 0.00 0.00 0.00 23.12 19.10 2dey s ALA 294 CO 0.28 -0.87 1.07 -1.25 0.00 0.00 0.00 175.76 174.99 2dey s PRO 295 N 0.95 3.29 -0.08 0.00 0.04 -1.26 -4.69 135.00 133.25 2dey s PRO 295 Ca 0.71 1.28 -0.30 0.00 0.04 0.00 0.00 61.00 62.73 2dey s PRO 295 Cb -0.47 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.03 2dey s PRO 295 CO 0.34 -0.84 1.01 -0.46 0.04 0.00 0.00 177.00 177.09 2dey s TRP 296 N -2.34 3.52 -0.05 0.56 -0.00 -1.26 -4.56 118.94 114.81 2dey s TRP 296 Ca 0.65 1.59 0.05 0.00 -0.00 0.00 0.00 56.10 58.40 2dey s TRP 296 Cb -0.17 -3.19 -0.01 0.00 -0.00 0.00 0.00 33.47 30.10 2dey s TRP 296 CO 0.35 -0.25 -0.22 0.42 -0.00 0.00 0.00 176.95 177.25 2dey s ILE 297 N 1.82 1.84 0.45 5.86 1.01 -0.41 -4.90 121.20 126.86 2dey s ILE 297 Ca 0.49 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 60.21 2dey s ILE 297 Cb -0.19 -1.56 -0.00 0.00 0.01 0.00 0.00 42.46 40.72 2dey s ILE 297 CO 0.20 0.51 0.66 -0.04 0.00 0.00 0.00 174.94 176.28 2dey s MET 298 N -0.08 3.03 -0.14 2.79 -1.94 -1.26 -0.73 119.30 120.97 2dey s MET 298 Ca -0.04 -0.57 0.01 0.00 -1.71 0.00 0.00 55.69 53.38 2dey s MET 298 Cb -0.13 -2.58 0.02 0.00 2.01 0.00 0.00 34.83 34.15 2dey s MET 298 CO 0.03 -0.28 -0.15 0.95 -0.01 0.00 0.00 175.02 175.56 2dey s THR 299 N -2.54 1.61 0.94 2.05 -4.23 -1.26 -4.94 115.64 107.27 2dey s THR 299 Ca 0.49 -0.68 -0.11 0.00 -1.18 0.00 0.00 61.69 60.21 2dey s THR 299 Cb -0.10 -1.49 0.16 0.00 1.34 0.00 0.00 72.50 72.41 2dey s THR 299 CO 0.37 0.46 1.10 -2.16 -0.54 0.00 0.00 174.62 173.86 2dey s PRO 300 N 1.27 0.84 0.06 3.99 0.04 -1.26 -4.87 135.00 135.07 2dey s PRO 300 Ca 0.01 1.22 0.03 0.00 0.04 0.00 0.00 61.00 62.30 2dey s PRO 300 Cb -0.14 -1.73 0.19 0.00 0.04 0.00 0.00 34.50 32.86 2dey s PRO 300 CO -0.07 -2.65 1.02 0.09 0.04 0.00 0.00 177.00 175.43 2dey n ASN 301 N -4.21 0.09 0.01 6.66 3.02 -1.26 -1.11 115.26 118.45 2dey n ASN 301 Ca 0.09 0.46 0.12 0.00 -0.03 0.00 0.00 54.58 55.22 2dey n ASN 301 Cb 0.53 -0.46 0.23 0.00 -0.61 0.00 0.00 39.78 39.47 2dey n ASN 301 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2dey n THR 302 N -1.55 0.05 -2.80 3.41 -2.24 -1.26 -4.66 114.28 105.23 2dey n THR 302 Ca -0.00 -0.05 -0.41 0.00 -2.27 0.00 0.00 64.05 61.32 2dey n THR 302 Cb 0.10 0.20 -0.05 0.00 -2.10 0.00 0.00 70.33 68.49 2dey n THR 302 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2dey s GLN 303 N -3.03 4.65 0.14 -0.78 -1.52 -0.27 -4.96 119.66 113.89 2dey s GLN 303 Ca 0.10 1.35 -0.34 0.00 -1.95 0.00 0.00 55.36 54.52 2dey s GLN 303 Cb 0.17 -3.37 -0.13 0.00 -0.22 0.00 0.00 33.01 29.45 2dey s GLN 303 CO 0.71 0.24 1.63 -2.30 -0.25 0.00 0.00 175.29 175.31 2dey n PRO 304 N 2.76 2.24 -2.61 2.91 -0.02 -1.26 -4.64 135.00 134.37 2dey n PRO 304 Ca 0.01 0.81 -0.40 0.00 -2.02 0.00 0.00 63.50 61.90 2dey n PRO 304 Cb 0.49 -2.60 -0.05 0.00 -0.02 0.00 0.00 33.50 31.33 2dey n PRO 304 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2dey s PRO 305 N 1.27 4.75 -0.08 0.52 0.04 -1.26 -1.05 135.00 139.19 2dey s PRO 305 Ca 0.80 1.64 0.10 0.00 0.04 0.00 0.00 61.00 63.58 2dey s PRO 305 Cb -0.66 -3.24 -0.14 0.00 0.04 0.00 0.00 34.50 30.51 2dey s PRO 305 CO 0.38 0.36 0.09 1.04 0.04 0.00 0.00 177.00 178.92 2dey n GLN 306 N 1.39 1.77 -3.64 4.56 6.02 0.92 -4.77 117.38 123.63 2dey n GLN 306 Ca -0.01 -0.03 -0.09 0.00 -0.01 0.00 0.00 57.00 56.86 2dey n GLN 306 Cb 0.46 -1.26 -0.07 0.00 1.02 0.00 0.00 30.24 30.39 2dey n GLN 306 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2dey s GLU 307 N -2.39 0.74 -0.00 -1.09 2.12 -1.11 -2.26 118.70 114.71 2dey s GLU 307 Ca -0.05 1.17 0.02 0.00 0.36 0.00 0.00 54.97 56.47 2dey s GLU 307 Cb 0.04 0.20 -0.04 0.00 0.26 0.00 0.00 34.13 34.60 2dey s GLU 307 CO 0.43 -0.14 -0.02 0.08 -0.54 0.00 0.00 175.26 175.07 2dey s VAL 308 N 1.34 4.00 -0.06 3.70 1.01 -0.22 -0.94 120.40 129.23 2dey s VAL 308 Ca -0.08 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.33 2dey s VAL 308 Cb -0.05 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.55 2dey s VAL 308 CO -0.15 0.39 -0.25 -0.31 0.00 0.00 0.00 175.10 174.79 2dey s TYR 309 N -1.05 2.43 0.07 5.22 1.51 0.46 -0.10 117.35 125.90 2dey s TYR 309 Ca 0.18 -0.74 -0.03 0.00 -1.01 0.00 0.00 57.07 55.48 2dey s TYR 309 Cb -0.11 -1.60 -0.03 0.00 -0.11 0.00 0.00 41.96 40.11 2dey s TYR 309 CO 0.09 -0.23 0.03 0.00 -1.11 0.00 0.00 175.55 174.33 2dey s ALA 310 N -0.13 0.38 -0.44 3.71 0.00 -0.62 -1.63 121.76 123.03 2dey s ALA 310 Ca -0.04 -1.11 0.05 0.00 0.00 0.00 0.00 51.96 50.86 2dey s ALA 310 Cb -0.14 0.39 0.19 0.00 0.00 0.00 0.00 23.12 23.56 2dey s ALA 310 CO 0.04 -0.42 0.40 0.00 0.00 0.00 0.00 175.76 175.78 2dey n SER 312 N 2.41 1.88 -4.56 0.00 3.41 -1.26 -4.54 113.62 110.96 2dey n SER 312 Ca 0.27 -1.71 -0.30 0.00 -0.26 0.00 0.00 58.87 56.86 2dey n SER 312 Cb 0.48 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.35 2dey n SER 312 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2dey s ILE 313 N -0.74 3.38 0.00 -1.33 -1.09 -1.24 -4.51 121.20 115.66 2dey s ILE 313 Ca 0.04 -0.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.32 2dey s ILE 313 Cb 0.02 -3.89 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 2dey s ILE 313 CO 0.03 -0.85 0.00 2.22 -1.23 0.00 0.00 174.94 175.11 2dey n PHE 314 N 13.88 0.00 0.29 3.97 -0.00 -1.26 -2.84 117.46 131.50 2dey n PHE 314 Ca 0.33 0.00 0.17 0.00 -0.00 0.00 0.00 57.45 57.96 2dey n PHE 314 Cb 0.49 0.00 0.87 0.00 -0.00 0.00 0.00 39.48 40.84 2dey n PHE 314 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 2dey h GLU 315 N 0.00 0.00 -7.14 3.97 4.81 -2.00 -3.44 114.58 110.78 2dey h GLU 315 Ca 0.00 0.00 -0.44 0.00 -0.13 0.00 0.00 59.36 58.79 2dey h GLU 315 Cb 0.00 0.00 0.21 0.00 0.63 0.00 0.00 28.75 29.59 2dey h GLU 315 CO 0.00 0.04 0.00 0.54 -0.73 0.00 0.00 179.01 178.87 2dey s ASN 316 N -5.69 0.86 0.00 1.04 2.20 -1.26 -4.98 114.94 107.10 2dey s ASN 316 Ca -0.02 1.51 0.00 0.00 -0.94 0.00 0.00 52.86 53.41 2dey s ASN 316 Cb 0.12 -2.30 0.00 0.00 -2.00 0.00 0.00 41.25 37.07 2dey s ASN 316 CO 0.52 -4.28 0.00 -0.62 -2.94 0.00 0.00 177.10 169.78 2dey n GLU 317 N -4.97 0.00 0.05 3.55 4.71 -1.26 -4.88 120.64 117.85 2dey n GLU 317 Ca 0.03 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.09 2dey n GLU 317 Cb 0.54 0.00 0.04 0.00 -1.01 0.00 0.00 31.44 31.01 2dey n GLU 317 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 2dey h ASP 318 N 0.00 0.45 -0.14 1.62 3.45 -1.95 0.54 116.42 120.39 2dey h ASP 318 Ca 0.00 -0.29 0.04 0.00 0.43 0.00 0.00 57.03 57.21 2dey h ASP 318 Cb 0.00 -0.13 -0.07 0.00 -0.56 0.00 0.00 39.33 38.57 2dey h ASP 318 CO 0.00 1.02 -0.41 0.15 -1.57 0.00 0.00 179.24 178.43 2dey h PHE 319 N 0.26 -1.17 -0.47 4.55 3.57 -1.92 0.09 116.94 121.85 2dey h PHE 319 Ca -0.03 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 2dey h PHE 319 Cb 1.28 0.53 -0.02 0.00 2.79 0.00 0.00 35.95 40.53 2dey h PHE 319 CO 0.04 -0.47 0.25 1.25 -2.23 0.00 0.00 178.31 177.15 2dey h LEU 320 N -0.48 0.57 -0.21 0.59 6.46 -1.86 -1.64 115.31 118.75 2dey h LEU 320 Ca 0.08 -0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.78 2dey h LEU 320 Cb 0.62 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.39 2dey h LEU 320 CO -0.40 0.47 0.07 0.50 -0.62 0.00 0.00 178.44 178.46 2dey h LYS 321 N 0.65 0.33 -0.29 1.25 3.64 -0.50 -1.71 116.57 119.95 2dey h LYS 321 Ca 0.17 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2dey h LYS 321 Cb 0.03 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 2dey h LYS 321 CO -0.03 0.42 0.18 0.77 -2.27 0.00 0.00 179.45 178.52 2dey h SER 322 N 0.18 0.29 0.05 4.20 0.02 -0.11 -1.56 113.55 116.63 2dey h SER 322 Ca 0.07 -0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 2dey h SER 322 Cb 0.22 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 2dey h SER 322 CO -0.00 0.21 -0.18 -0.37 -1.14 0.00 0.00 176.83 175.35 2dey h VAL 323 N 0.36 1.21 -0.69 2.27 -1.51 -1.33 -2.41 116.25 114.14 2dey h VAL 323 Ca 0.11 -0.94 -0.02 0.00 -1.23 0.00 0.00 66.70 64.62 2dey h VAL 323 Cb -0.02 1.30 -0.03 0.00 -2.13 0.00 0.00 31.29 30.41 2dey h VAL 323 CO -0.04 0.29 0.36 0.74 -1.23 0.00 0.00 177.57 177.69 2dey h THR 324 N 0.24 1.22 -0.44 7.19 2.02 -0.71 -0.22 112.91 122.21 2dey h THR 324 Ca 0.04 -0.57 -0.05 0.00 0.77 0.00 0.00 66.41 66.61 2dey h THR 324 Cb 0.47 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 2dey h THR 324 CO 0.03 0.25 0.09 0.74 0.37 0.00 0.00 175.52 177.00 2dey h THR 325 N 0.95 1.24 -0.23 3.16 2.02 -0.89 -2.10 112.91 117.06 2dey h THR 325 Ca 0.24 -0.84 0.01 0.00 0.77 0.00 0.00 66.41 66.59 2dey h THR 325 Cb 0.06 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 2dey h THR 325 CO -0.04 0.29 0.14 -0.07 0.37 0.00 0.00 175.52 176.21 2dey h LEU 326 N 0.57 0.22 -0.71 2.58 3.38 -1.20 0.52 115.31 120.68 2dey h LEU 326 Ca 0.13 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.22 2dey h LEU 326 Cb 0.34 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.96 2dey h LEU 326 CO 0.00 0.16 0.31 0.00 0.09 0.00 0.00 178.44 179.00 2dey h ALA 327 N 1.10 0.97 -0.14 1.53 0.00 -0.90 0.23 119.26 122.05 2dey h ALA 327 Ca 0.09 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2dey h ALA 327 Cb -0.01 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2dey h ALA 327 CO -0.04 -0.14 -0.02 1.98 0.00 0.00 0.00 179.25 181.03 2dey h MET 328 N 0.50 0.27 -0.93 0.00 1.85 -0.89 0.22 114.93 115.94 2dey h MET 328 Ca 0.37 -0.09 0.13 0.00 -0.61 0.00 0.00 59.70 59.49 2dey h MET 328 Cb 0.48 -0.02 -0.08 0.00 0.43 0.00 0.00 31.60 32.41 2dey h MET 328 CO -0.33 0.52 0.60 0.87 -0.40 0.00 0.00 176.91 178.17 2dey h LYS 329 N -0.02 0.81 -0.00 0.39 1.57 -0.53 -0.82 116.57 117.96 2dey h LYS 329 Ca 0.04 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2dey h LYS 329 Cb 0.41 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2dey h LYS 329 CO 0.01 0.53 -0.06 0.00 -0.57 0.00 0.00 179.45 179.37 2dey n ALA 330 N -2.39 2.70 -3.14 3.86 0.00 0.77 -4.95 120.51 117.35 2dey n ALA 330 Ca 0.18 -0.28 -0.14 0.00 0.00 0.00 0.00 53.44 53.19 2dey n ALA 330 Cb 0.41 -1.35 0.06 0.00 0.00 0.00 0.00 19.45 18.57 2dey n ALA 330 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2dey n LYS 331 N -0.76 -5.21 -4.91 0.00 4.01 -0.31 -4.91 118.16 106.06 2dey n LYS 331 Ca 0.18 0.61 -0.33 0.00 -0.51 0.00 0.00 58.31 58.26 2dey n LYS 331 Cb 0.25 -4.96 -0.14 0.00 -0.51 0.00 0.00 35.03 29.67 2dey n LYS 331 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2dey n LYS 333 N 2.93 0.85 -3.94 0.00 4.81 -0.96 -4.54 118.16 117.32 2dey n LYS 333 Ca -0.18 0.31 -0.28 0.00 -0.87 0.00 0.00 58.31 57.30 2dey n LYS 333 Cb 0.52 -1.78 -0.17 0.00 0.02 0.00 0.00 35.03 33.63 2dey n LYS 333 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 2dey s LEU 334 N 0.47 1.38 -0.12 3.14 1.98 -1.26 -1.06 118.68 123.22 2dey s LEU 334 Ca 0.65 -0.40 0.01 0.00 -2.89 0.00 0.00 54.13 51.50 2dey s LEU 334 Cb -0.55 -0.95 -0.02 0.00 0.66 0.00 0.00 46.19 45.34 2dey s LEU 334 CO 0.56 -0.11 -0.14 -0.89 -1.89 0.00 0.00 176.35 173.88 2dey s THR 335 N 1.64 3.01 -0.02 3.68 2.01 0.86 -4.97 115.64 121.84 2dey s THR 335 Ca 0.04 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.38 2dey s THR 335 Cb -0.13 -2.25 0.01 0.00 0.01 0.00 0.00 72.50 70.14 2dey s THR 335 CO -0.09 0.54 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.68 2dey s ILE 336 N 0.19 0.60 -0.27 1.82 1.01 -1.25 -1.59 121.20 121.71 2dey s ILE 336 Ca -0.08 -0.26 -0.09 0.00 0.00 0.00 0.00 60.65 60.23 2dey s ILE 336 Cb -0.15 -0.55 -0.03 0.00 0.01 0.00 0.00 42.46 41.73 2dey s ILE 336 CO 0.05 0.20 0.12 0.00 0.00 0.00 0.00 174.94 175.31 2dey s PRO 338 N 1.66 3.24 0.58 0.00 0.02 -1.26 -3.68 135.00 135.55 2dey s PRO 338 Ca 0.06 1.90 0.28 0.00 0.02 0.00 0.00 61.00 63.26 2dey s PRO 338 Cb -0.16 -2.14 1.51 0.00 0.02 0.00 0.00 34.50 33.73 2dey s PRO 338 CO 0.06 -1.01 1.95 1.05 -0.33 0.00 0.00 177.00 178.73 2dey h GLU 339 N 1.35 0.00 0.00 5.54 4.11 -1.93 0.49 114.58 124.14 2dey h GLU 339 Ca -0.50 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.92 2dey h GLU 339 Cb 1.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 2dey h GLU 339 CO 0.57 0.00 -0.03 0.93 0.07 0.00 0.00 179.01 180.55 2dey h GLU 340 N 0.00 0.00 0.00 1.06 3.07 -1.91 -2.30 114.58 114.50 2dey h GLU 340 Ca 0.20 0.00 -0.36 0.00 -0.50 0.00 0.00 59.36 58.70 2dey h GLU 340 Cb 1.02 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.88 2dey h GLU 340 CO -0.00 0.03 -2.22 0.39 -1.40 0.00 0.00 179.01 175.81 2dey n GLU 341 N -3.13 0.48 -0.34 2.33 1.02 0.11 -4.60 120.64 116.52 2dey n GLU 341 Ca 0.01 0.18 0.21 0.00 -0.02 0.00 0.00 57.16 57.54 2dey n GLU 341 Cb 0.35 -1.32 0.40 0.00 -0.02 0.00 0.00 31.44 30.85 2dey n GLU 341 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2dey n ASN 342 N -3.75 0.05 -3.17 1.62 3.02 0.13 -4.67 115.26 108.49 2dey n ASN 342 Ca -0.42 1.68 -0.23 0.00 -0.03 0.00 0.00 54.58 55.58 2dey n ASN 342 Cb 0.83 -0.69 0.04 0.00 -0.61 0.00 0.00 39.78 39.35 2dey n ASN 342 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2dey n MET 343 N -5.41 -5.22 -1.06 3.52 2.81 -0.86 -1.77 117.12 109.13 2dey n MET 343 Ca 0.29 0.84 -0.02 0.00 -1.81 0.00 0.00 57.70 57.00 2dey n MET 343 Cb 0.95 -5.72 -0.01 0.00 -0.71 0.00 0.00 33.22 27.73 2dey n MET 343 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2dey n ASP 344 N -2.58 -3.99 -4.42 7.83 10.43 -1.26 -4.79 116.55 117.78 2dey n ASP 344 Ca -0.08 0.05 -0.44 0.00 2.57 0.00 0.00 54.79 56.89 2dey n ASP 344 Cb 0.60 -1.66 -0.04 0.00 1.84 0.00 0.00 41.12 41.86 2dey n ASP 344 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2dey s ASP 345 N -2.25 6.21 0.00 -2.24 -1.08 -0.73 -4.91 116.67 111.68 2dey s ASP 345 Ca 0.00 -1.25 0.28 0.00 -0.52 0.00 0.00 52.55 51.06 2dey s ASP 345 Cb 0.00 -2.37 1.11 0.00 -1.46 0.00 0.00 42.92 40.21 2dey s ASP 345 CO 0.00 -1.28 1.78 0.00 0.52 0.00 0.00 175.17 176.19 2dey n GLN 346 N 7.04 0.96 -2.53 4.34 10.64 -1.26 -4.65 117.38 131.92 2dey n GLN 346 Ca -0.04 -0.44 -0.43 0.00 -1.83 0.00 0.00 57.00 54.26 2dey n GLN 346 Cb 0.44 -1.49 0.01 0.00 -0.86 0.00 0.00 30.24 28.34 2dey n GLN 346 CO 0.00 0.00 0.00 0.91 -1.83 0.00 0.00 177.06 176.14 2dey n TRP 347 N -0.63 2.68 0.33 2.61 7.02 -1.26 -4.56 117.44 123.62 2dey n TRP 347 Ca 0.16 -2.71 0.20 0.00 -1.02 0.00 0.00 57.50 54.13 2dey n TRP 347 Cb 0.30 -1.71 1.13 0.00 -2.42 0.00 0.00 31.31 28.61 2dey n TRP 347 CO 0.00 0.00 0.00 1.98 -2.02 0.00 0.00 177.69 177.65 2dey h MET 348 N 5.56 0.00 0.00 -0.99 4.05 -1.69 -0.64 114.93 121.23 2dey h MET 348 Ca 0.35 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.72 2dey h MET 348 Cb 0.60 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.40 2dey h MET 348 CO 1.53 0.00 -0.25 0.37 0.23 0.00 0.00 176.91 178.79 2dey h GLN 349 N 0.00 0.00 0.02 0.39 5.75 -1.16 -3.39 115.11 116.72 2dey h GLN 349 Ca -0.00 0.00 -0.34 0.00 -0.15 0.00 0.00 58.65 58.16 2dey h GLN 349 Cb 0.01 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.50 2dey h GLN 349 CO 0.00 0.25 -2.07 -0.25 -2.65 0.00 0.00 178.83 174.11 2dey n ASP 350 N -3.92 1.04 0.18 -0.69 8.00 -0.25 -3.63 116.55 117.29 2dey n ASP 350 Ca -0.02 0.18 0.13 0.00 0.71 0.00 0.00 54.79 55.79 2dey n ASP 350 Cb 0.33 0.03 0.32 0.00 -0.02 0.00 0.00 41.12 41.78 2dey n ASP 350 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2dey h GLU 351 N 0.01 0.00 -3.90 -1.24 4.39 -1.76 0.41 114.58 112.49 2dey h GLU 351 Ca -0.43 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.17 2dey h GLU 351 Cb 2.07 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 30.59 2dey h GLU 351 CO 0.04 0.00 -0.36 0.00 -1.16 0.00 0.00 179.01 177.53 2dey s MET 352 N -3.23 1.04 -0.07 2.33 0.23 -1.26 0.57 119.30 118.91 2dey s MET 352 Ca 0.07 -1.13 -0.03 0.00 -1.03 0.00 0.00 55.69 53.58 2dey s MET 352 Cb 0.08 0.36 0.04 0.00 -1.53 0.00 0.00 34.83 33.78 2dey s MET 352 CO 0.62 -0.36 0.14 -2.00 -2.03 0.00 0.00 175.02 171.38 2dey s GLU 353 N -3.94 0.01 -0.37 3.16 2.56 -0.28 -4.81 118.70 115.04 2dey s GLU 353 Ca 0.14 0.51 -0.21 0.00 0.00 0.00 0.00 54.97 55.41 2dey s GLU 353 Cb 0.04 -0.31 0.01 0.00 2.00 0.00 0.00 34.13 35.86 2dey s GLU 353 CO -0.03 -0.30 0.66 0.42 -0.56 0.00 0.00 175.26 175.44 2dey s ILE 354 N 2.16 4.86 0.00 -3.70 -1.09 -1.26 -0.26 121.20 121.90 2dey s ILE 354 Ca 0.02 0.55 0.00 0.00 -2.23 0.00 0.00 60.65 59.00 2dey s ILE 354 Cb -0.12 -4.11 0.00 0.00 -1.58 0.00 0.00 42.46 36.65 2dey s ILE 354 CO -0.05 -0.37 0.00 0.61 -1.23 0.00 0.00 174.94 173.90 2dey n GLY 355 N 4.71 5.21 3.51 6.18 0.00 0.26 -4.48 105.19 120.58 2dey n GLY 355 Ca -0.01 -1.93 -0.10 0.00 0.00 0.00 0.00 46.02 43.99 2dey n GLY 355 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2dey s TYR 356 N 1.79 -0.21 0.15 1.61 -0.85 0.09 -0.69 117.35 119.25 2dey s TYR 356 Ca 0.00 -0.11 0.11 0.00 -0.52 0.00 0.00 57.07 56.54 2dey s TYR 356 Cb 0.00 0.43 -0.04 0.00 0.38 0.00 0.00 41.96 42.73 2dey s TYR 356 CO 0.00 -0.91 -0.25 0.96 -1.52 0.00 0.00 175.55 173.84 2dey s ILE 357 N -3.85 2.19 -0.10 -3.49 -4.36 -0.43 -1.29 121.20 109.87 2dey s ILE 357 Ca 0.07 -1.82 -0.04 0.00 -0.26 0.00 0.00 60.65 58.60 2dey s ILE 357 Cb -0.01 -1.97 0.05 0.00 1.25 0.00 0.00 42.46 41.79 2dey s ILE 357 CO -0.05 -0.01 0.21 -1.58 0.24 0.00 0.00 174.94 173.75 2dey s GLN 358 N -2.26 0.10 0.23 0.37 0.74 -1.26 -1.02 119.66 116.57 2dey s GLN 358 Ca 0.15 0.62 0.05 0.00 0.05 0.00 0.00 55.36 56.23 2dey s GLN 358 Cb -0.09 -0.15 -0.05 0.00 1.10 0.00 0.00 33.01 33.82 2dey s GLN 358 CO 0.07 -0.27 -0.05 0.00 -0.55 0.00 0.00 175.29 174.49 2dey s ALA 359 N 2.16 1.96 0.58 1.58 0.00 0.22 -4.89 121.76 123.37 2dey s ALA 359 Ca 0.00 -1.76 0.28 0.00 0.00 0.00 0.00 51.96 50.47 2dey s ALA 359 Cb -0.12 0.28 1.68 0.00 0.00 0.00 0.00 23.12 24.96 2dey s ALA 359 CO -0.07 -0.14 2.17 -1.35 0.00 0.00 0.00 175.76 176.37 2dey h PRO 360 N 2.46 0.00 0.00 0.00 0.11 -1.91 -1.32 132.00 131.34 2dey h PRO 360 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2dey h PRO 360 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2dey h PRO 360 CO 0.65 0.00 -0.96 -2.39 -0.21 0.00 0.00 178.00 175.09 2dey n HIS 361 N -3.92 0.10 -3.64 0.65 1.44 -1.26 -4.98 115.22 103.61 2dey n HIS 361 Ca -0.01 0.03 -0.03 0.00 -2.01 0.00 0.00 57.72 55.70 2dey n HIS 361 Cb 0.20 -0.25 -0.07 0.00 0.12 0.00 0.00 29.99 29.99 2dey n HIS 361 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 2dey s LYS 362 N -3.11 0.31 -0.05 -1.40 2.47 -0.50 -4.99 119.74 112.47 2dey s LYS 362 Ca 0.06 0.48 0.02 0.00 -1.56 0.00 0.00 55.97 54.97 2dey s LYS 362 Cb 0.16 0.09 0.02 0.00 -1.46 0.00 0.00 37.83 36.63 2dey s LYS 362 CO 0.81 -0.06 -0.09 0.99 0.16 0.00 0.00 175.35 177.17 2dey s THR 363 N 0.92 0.86 -0.02 3.43 2.01 -1.26 0.71 115.64 122.30 2dey s THR 363 Ca -0.05 -0.33 -0.08 0.00 0.31 0.00 0.00 61.69 61.54 2dey s THR 363 Cb -0.04 -0.81 0.01 0.00 0.01 0.00 0.00 72.50 71.67 2dey s THR 363 CO -0.12 0.29 0.18 -1.48 -0.69 0.00 0.00 174.62 172.79 2dey s LEU 364 N 0.68 1.38 0.52 4.42 2.34 -0.19 -4.99 118.68 122.84 2dey s LEU 364 Ca -0.12 -0.03 -0.21 0.00 0.06 0.00 0.00 54.13 53.83 2dey s LEU 364 Cb -0.14 0.77 -0.06 0.00 -0.56 0.00 0.00 46.19 46.20 2dey s LEU 364 CO 0.02 -0.32 1.18 -2.16 -1.06 0.00 0.00 176.35 174.01 2dey s PRO 365 N -1.07 3.41 -0.03 1.48 0.04 -1.25 -1.31 135.00 136.27 2dey s PRO 365 Ca -0.12 1.78 -0.01 0.00 0.04 0.00 0.00 61.00 62.70 2dey s PRO 365 Cb -0.06 -2.17 0.03 0.00 0.04 0.00 0.00 34.50 32.34 2dey s PRO 365 CO 0.02 -0.84 0.03 0.08 0.04 0.00 0.00 177.00 176.33 2dey s VAL 366 N -1.60 -0.03 -0.20 -0.36 1.01 0.14 0.58 120.40 119.94 2dey s VAL 366 Ca 0.70 0.26 -0.24 0.00 0.00 0.00 0.00 61.98 62.70 2dey s VAL 366 Cb -0.29 -0.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 2dey s VAL 366 CO 0.33 0.13 0.77 -0.69 0.00 0.00 0.00 175.10 175.64 2dey s VAL 367 N 1.42 4.91 -0.35 2.92 1.01 -0.58 -0.57 120.40 129.15 2dey s VAL 367 Ca -0.05 1.48 -0.19 0.00 0.00 0.00 0.00 61.98 63.22 2dey s VAL 367 Cb -0.13 -4.08 -0.00 0.00 0.00 0.00 0.00 36.38 32.18 2dey s VAL 367 CO -0.03 0.03 0.59 0.12 0.00 0.00 0.00 175.10 175.80 2dey s PHE 368 N 2.26 3.17 -0.45 5.22 5.36 0.64 -1.16 117.98 133.01 2dey s PHE 368 Ca 0.35 0.29 -0.21 0.00 -0.96 0.00 0.00 56.93 56.40 2dey s PHE 368 Cb -0.16 -3.05 0.03 0.00 -0.34 0.00 0.00 43.02 39.50 2dey s PHE 368 CO 0.11 -0.58 0.64 0.34 -1.46 0.00 0.00 175.22 174.27 2dey s ASP 369 N 1.77 6.31 0.55 6.13 2.15 -0.14 -1.13 116.67 132.32 2dey s ASP 369 Ca 0.22 -0.43 -0.22 0.00 0.43 0.00 0.00 52.55 52.56 2dey s ASP 369 Cb -0.15 -2.32 -0.05 0.00 -0.30 0.00 0.00 42.92 40.11 2dey s ASP 369 CO 0.14 -0.80 1.37 -0.55 -0.17 0.00 0.00 175.17 175.16 2dey s SER 370 N 2.11 5.21 0.00 -0.34 0.15 0.19 -4.18 113.70 116.84 2dey s SER 370 Ca 0.22 2.80 0.14 0.00 0.70 0.00 0.00 55.95 59.81 2dey s SER 370 Cb -0.15 -2.64 0.72 0.00 -1.71 0.00 0.00 66.02 62.25 2dey s SER 370 CO 0.18 -1.62 1.38 -0.81 1.20 0.00 0.00 173.24 173.58 2dey n PRO 371 N -1.06 0.21 -0.19 5.44 -0.04 -1.26 -4.07 135.00 134.03 2dey n PRO 371 Ca 0.11 0.15 0.02 0.00 -0.04 0.00 0.00 63.50 63.73 2dey n PRO 371 Cb 0.45 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.46 2dey n PRO 371 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2dey n ARG 372 N -1.28 -0.08 -3.57 0.54 0.63 -1.26 -4.81 116.66 106.83 2dey n ARG 372 Ca 0.07 0.80 -0.24 0.00 -0.92 0.00 0.00 57.85 57.56 2dey n ARG 372 Cb 0.11 -1.19 0.05 0.00 0.45 0.00 0.00 32.46 31.88 2dey n ARG 372 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2dey n ASN 373 N -4.81 -4.37 0.00 6.15 3.02 -1.26 -5.02 115.26 108.97 2dey n ASN 373 Ca 0.07 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.74 2dey n ASN 373 Cb 0.24 -4.07 0.00 0.00 -0.61 0.00 0.00 39.78 35.33 2dey n ASN 373 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2dey n ARG 374 N -3.96 3.99 0.12 3.52 1.74 -1.26 -4.85 116.66 115.95 2dey n ARG 374 Ca -0.15 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.05 2dey n ARG 374 Cb 0.63 0.00 0.62 0.00 -1.02 0.00 0.00 32.46 32.69 2dey n ARG 374 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2dey h GLY 375 N 0.00 0.12 0.14 -0.13 0.00 -1.87 -0.58 103.07 100.75 2dey h GLY 375 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2dey h GLY 375 CO 0.00 0.03 0.00 1.04 0.00 0.00 0.00 176.54 177.61 2dey n LEU 376 N -4.48 0.39 -0.34 3.11 4.32 -1.23 -4.22 117.00 114.56 2dey n LEU 376 Ca 0.03 -0.17 0.19 0.00 -0.02 0.00 0.00 56.01 56.04 2dey n LEU 376 Cb 0.28 -0.03 0.42 0.00 -1.62 0.00 0.00 43.42 42.48 2dey n LEU 376 CO 0.35 0.09 1.19 0.07 -1.22 0.00 0.00 177.39 177.87 2dey h LYS 377 N 0.50 0.52 0.00 3.23 2.10 -1.43 0.11 116.57 121.62 2dey h LYS 377 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2dey h LYS 377 Cb 0.11 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.32 2dey h LYS 377 CO 0.00 0.35 -0.18 0.93 -2.00 0.00 0.00 179.45 178.54 2dey h GLU 378 N 0.54 0.00 -0.18 0.07 4.39 -1.84 -3.39 114.58 114.17 2dey h GLU 378 Ca 0.61 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.30 2dey h GLU 378 Cb 1.27 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 2dey h GLU 378 CO -0.38 0.00 0.08 0.35 -1.16 0.00 0.00 179.01 177.89 2dey h PHE 379 N 0.00 0.27 -0.49 4.33 3.57 -1.30 0.30 116.94 123.62 2dey h PHE 379 Ca 0.00 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.39 2dey h PHE 379 Cb 0.83 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.47 2dey h PHE 379 CO 0.00 0.32 -0.07 -1.35 -2.23 0.00 0.00 178.31 174.98 2dey h PRO 380 N 0.14 0.87 0.09 6.41 0.11 -1.75 0.18 132.00 138.04 2dey h PRO 380 Ca 0.06 -0.28 -0.26 0.00 0.11 0.00 0.00 66.00 65.63 2dey h PRO 380 Cb 0.16 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 31.20 2dey h PRO 380 CO -0.01 0.91 -1.15 0.97 -0.21 0.00 0.00 178.00 178.51 2dey h ILE 381 N 0.79 1.44 0.02 4.15 6.09 -1.74 0.99 117.51 129.25 2dey h ILE 381 Ca 0.14 -2.78 -0.33 0.00 -1.37 0.00 0.00 64.86 60.52 2dey h ILE 381 Cb 0.57 2.75 -0.05 0.00 0.47 0.00 0.00 36.82 40.56 2dey h ILE 381 CO 0.03 0.82 -1.94 1.17 -3.07 0.00 0.00 178.15 175.17 2dey n LYS 382 N -3.64 0.67 -0.02 2.19 4.81 0.10 -4.48 118.16 117.79 2dey n LYS 382 Ca -0.09 0.22 -0.01 0.00 -0.87 0.00 0.00 58.31 57.57 2dey n LYS 382 Cb 0.96 -1.71 -0.04 0.00 0.02 0.00 0.00 35.03 34.26 2dey n LYS 382 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2dey n ARG 383 N -3.07 2.10 -0.12 1.64 5.12 0.57 -4.82 116.66 118.08 2dey n ARG 383 Ca -0.24 -0.02 -0.25 0.00 -1.93 0.00 0.00 57.85 55.41 2dey n ARG 383 Cb 1.07 -1.12 -0.09 0.00 -1.16 0.00 0.00 32.46 31.16 2dey n ARG 383 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2dey n VAL 384 N -2.00 1.52 -2.11 1.55 0.31 -0.91 -4.92 118.33 111.78 2dey n VAL 384 Ca -0.05 -0.22 -0.39 0.00 -0.01 0.00 0.00 64.34 63.67 2dey n VAL 384 Cb 0.47 -2.00 -0.00 0.00 -0.91 0.00 0.00 33.84 31.40 2dey n VAL 384 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2dey s MET 385 N -2.52 3.84 0.00 5.55 0.23 0.33 -4.77 119.30 121.96 2dey s MET 385 Ca -0.35 2.03 0.00 0.00 -1.03 0.00 0.00 55.69 56.34 2dey s MET 385 Cb 0.11 -2.61 0.00 0.00 -1.53 0.00 0.00 34.83 30.80 2dey s MET 385 CO 0.49 -0.56 0.00 0.41 -2.03 0.00 0.00 175.02 173.33 2dey n GLY 386 N 0.62 -0.54 3.63 3.16 0.00 -0.68 -4.83 105.19 106.56 2dey n GLY 386 Ca 0.05 -0.84 -0.44 0.00 0.00 0.00 0.00 46.02 44.80 2dey n GLY 386 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2dey n PRO 387 N 0.00 2.40 -1.78 1.61 -0.02 -0.77 -1.21 135.00 135.23 2dey n PRO 387 Ca 0.00 0.81 -0.21 0.00 -2.02 0.00 0.00 63.50 62.08 2dey n PRO 387 Cb 0.00 -3.03 -0.07 0.00 -0.02 0.00 0.00 33.50 30.38 2dey n PRO 387 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2dey n ASP 388 N 9.01 -5.59 -3.90 2.55 8.00 -1.26 -4.96 116.55 120.40 2dey n ASP 388 Ca 0.25 0.40 -0.30 0.00 0.71 0.00 0.00 54.79 55.84 2dey n ASP 388 Cb 0.40 -4.85 -0.15 0.00 -0.02 0.00 0.00 41.12 36.50 2dey n ASP 388 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2dey s PHE 389 N -2.83 2.65 0.99 1.24 5.99 -0.35 -3.81 117.98 121.85 2dey s PHE 389 Ca 0.00 -2.17 -0.13 0.00 0.00 0.00 0.00 56.93 54.63 2dey s PHE 389 Cb 0.00 -2.07 0.18 0.00 0.00 0.00 0.00 43.02 41.13 2dey s PHE 389 CO 0.00 -0.87 1.11 0.20 -0.00 0.00 0.00 175.22 175.66 2dey s GLY 390 N 1.30 1.57 -0.00 13.12 0.00 0.20 -1.69 107.32 121.81 2dey s GLY 390 Ca 0.05 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.32 2dey s GLY 390 CO -0.13 0.16 -0.00 -0.47 0.00 0.00 0.00 173.10 172.66 2dey s TYR 391 N -3.07 0.07 0.06 1.90 5.04 0.96 -1.53 117.35 120.77 2dey s TYR 391 Ca 0.65 0.01 0.01 0.00 -2.44 0.00 0.00 57.07 55.30 2dey s TYR 391 Cb -0.17 -0.08 -0.03 0.00 0.35 0.00 0.00 41.96 42.03 2dey s TYR 391 CO 0.56 -0.02 -0.06 0.08 -1.34 0.00 0.00 175.55 174.78 2dey s VAL 392 N 0.16 0.46 0.06 3.14 1.01 -0.31 -4.79 120.40 120.13 2dey s VAL 392 Ca -0.01 -1.43 0.00 0.00 0.00 0.00 0.00 61.98 60.54 2dey s VAL 392 Cb -0.02 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.30 2dey s VAL 392 CO -0.00 -0.65 -0.05 0.28 0.00 0.00 0.00 175.10 174.67 2dey s THR 393 N -2.49 0.38 0.22 3.92 -1.32 -1.26 -0.96 115.64 114.12 2dey s THR 393 Ca -0.02 -1.61 0.01 0.00 -1.21 0.00 0.00 61.69 58.86 2dey s THR 393 Cb -0.02 -1.26 -0.05 0.00 -1.51 0.00 0.00 72.50 69.66 2dey s THR 393 CO -0.03 -0.81 0.08 -0.13 -2.21 0.00 0.00 174.62 171.52 2dey s ARG 394 N -3.21 1.27 0.00 7.08 1.81 -1.26 -5.01 118.95 119.63 2dey s ARG 394 Ca 0.03 -1.66 0.00 0.00 -1.72 0.00 0.00 55.73 52.37 2dey s ARG 394 Cb 0.02 -0.11 0.00 0.00 -0.45 0.00 0.00 34.95 34.41 2dey s ARG 394 CO -0.06 -0.28 0.00 0.41 -0.68 0.00 0.00 175.30 174.70 2dey n GLY 395 N -0.35 -0.81 3.76 -3.53 0.00 -1.26 -4.18 105.19 98.82 2dey n GLY 395 Ca -0.01 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 2dey n GLY 395 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dey s PRO 396 N -2.16 4.47 0.00 1.61 0.04 -1.26 -4.95 135.00 132.75 2dey s PRO 396 Ca 0.00 2.05 0.22 0.00 0.04 0.00 0.00 61.00 63.31 2dey s PRO 396 Cb 0.00 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.38 2dey s PRO 396 CO 0.00 -0.03 1.04 1.04 0.04 0.00 0.00 177.00 179.09 2dey n GLN 397 N 1.06 0.38 -0.65 4.56 1.13 -1.26 -4.35 117.38 118.26 2dey n GLN 397 Ca -0.00 -0.31 0.00 0.00 -1.94 0.00 0.00 57.00 54.76 2dey n GLN 397 Cb 0.43 -1.49 0.21 0.00 0.11 0.00 0.00 30.24 29.50 2dey n GLN 397 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2dey n THR 398 N -1.04 2.43 0.00 5.09 -2.24 -1.26 -4.97 114.28 112.28 2dey n THR 398 Ca 0.06 -2.49 0.00 0.00 -2.27 0.00 0.00 64.05 59.35 2dey n THR 398 Cb 0.37 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 2dey n THR 398 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dey n GLY 399 N -0.98 -0.59 1.25 3.38 0.00 -1.26 -5.04 105.19 101.95 2dey n GLY 399 Ca 0.28 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 44.05 2dey n GLY 399 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dey n GLY 400 N -0.40 0.89 3.48 -0.02 0.00 -1.26 -4.71 105.19 103.17 2dey n GLY 400 Ca 0.00 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 45.20 2dey n GLY 400 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2dey s ILE 401 N -2.00 1.91 0.32 -0.61 1.10 -1.26 -4.91 121.20 115.75 2dey s ILE 401 Ca 0.00 -2.16 0.03 0.00 -0.51 0.00 0.00 60.65 58.01 2dey s ILE 401 Cb 0.00 -2.54 -0.04 0.00 0.15 0.00 0.00 42.46 40.03 2dey s ILE 401 CO 0.00 -0.26 0.13 -0.94 -2.11 0.00 0.00 174.94 171.77 2dey s SER 402 N -3.52 1.78 0.62 4.50 1.04 -1.26 -5.01 113.70 111.85 2dey s SER 402 Ca 0.31 -1.53 0.40 0.00 0.48 0.00 0.00 55.95 55.61 2dey s SER 402 Cb 0.03 0.32 2.19 0.00 0.10 0.00 0.00 66.02 68.66 2dey s SER 402 CO 0.14 -0.84 2.23 1.23 0.98 0.00 0.00 173.24 176.98 2dey h GLY 403 N 2.16 0.00 0.16 7.32 0.00 -1.91 -1.50 103.07 109.29 2dey h GLY 403 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2dey h GLY 403 CO 0.56 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.14 2dey n LEU 404 N -2.94 0.76 -0.06 3.11 4.77 -1.26 -2.69 117.00 118.68 2dey n LEU 404 Ca -0.03 -0.28 0.11 0.00 -0.03 0.00 0.00 56.01 55.79 2dey n LEU 404 Cb 0.09 -0.02 0.13 0.00 -2.33 0.00 0.00 43.42 41.29 2dey n LEU 404 CO 0.18 0.14 0.31 0.47 -1.33 0.00 0.00 177.39 177.15 2dey n ASP 405 N -0.37 0.83 -4.76 -1.43 10.43 -0.57 -4.34 116.55 116.35 2dey n ASP 405 Ca 0.19 -0.65 -0.40 0.00 2.57 0.00 0.00 54.79 56.50 2dey n ASP 405 Cb 0.22 0.49 -0.04 0.00 1.84 0.00 0.00 41.12 43.63 2dey n ASP 405 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 2dey s SER 406 N -2.90 7.15 -0.06 -2.24 0.01 -1.10 -4.52 113.70 110.05 2dey s SER 406 Ca 0.12 2.35 0.12 0.00 1.31 0.00 0.00 55.95 59.85 2dey s SER 406 Cb 0.17 -2.63 0.45 0.00 0.21 0.00 0.00 66.02 64.22 2dey s SER 406 CO 0.72 -0.23 1.32 0.49 0.41 0.00 0.00 173.24 175.96 2dey n PHE 407 N 1.08 0.88 0.44 2.43 0.99 0.14 -1.52 117.46 121.90 2dey n PHE 407 Ca -0.01 -0.37 0.13 0.00 -0.00 0.00 0.00 57.45 57.21 2dey n PHE 407 Cb 0.44 -0.14 0.47 0.00 -1.00 0.00 0.00 39.48 39.26 2dey n PHE 407 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 2dey h GLY 408 N 4.76 0.00 -0.20 1.37 0.00 -1.80 -2.77 103.07 104.43 2dey h GLY 408 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2dey h GLY 408 CO 0.12 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.65 2dey n ASN 409 N -2.41 0.65 -3.85 0.19 5.15 -0.58 -2.28 115.26 112.13 2dey n ASN 409 Ca 0.03 -1.76 -0.29 0.00 -0.60 0.00 0.00 54.58 51.96 2dey n ASN 409 Cb 0.32 -0.06 -0.16 0.00 -0.53 0.00 0.00 39.78 39.35 2dey n ASN 409 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2dey s LEU 410 N -1.29 1.77 0.26 1.20 2.96 -1.05 -3.35 118.68 119.18 2dey s LEU 410 Ca 0.19 -0.87 0.02 0.00 -0.22 0.00 0.00 54.13 53.25 2dey s LEU 410 Cb 0.10 -0.89 -0.04 0.00 0.50 0.00 0.00 46.19 45.86 2dey s LEU 410 CO 0.15 -0.24 0.16 -1.61 -1.32 0.00 0.00 176.35 173.49 2dey s GLU 411 N 1.63 1.45 0.02 1.98 0.41 -0.84 -4.97 118.70 118.38 2dey s GLU 411 Ca -0.02 -1.80 0.01 0.00 -0.41 0.00 0.00 54.97 52.75 2dey s GLU 411 Cb -0.17 0.09 -0.02 0.00 -1.78 0.00 0.00 34.13 32.26 2dey s GLU 411 CO -0.07 -0.44 -0.06 0.14 -0.49 0.00 0.00 175.26 174.34 2dey s VAL 412 N -3.81 0.38 0.65 2.63 -7.23 -1.26 -0.36 120.40 111.40 2dey s VAL 412 Ca 0.38 -0.71 -0.11 0.00 -1.81 0.00 0.00 61.98 59.73 2dey s VAL 412 Cb 0.06 -0.42 -0.02 0.00 0.56 0.00 0.00 36.38 36.55 2dey s VAL 412 CO 0.17 -0.23 1.04 -0.94 -0.31 0.00 0.00 175.10 174.83 2dey s SER 413 N -1.01 5.92 1.08 4.85 1.04 -0.11 -4.46 113.70 121.02 2dey s SER 413 Ca -0.07 1.49 -0.13 0.00 0.48 0.00 0.00 55.95 57.73 2dey s SER 413 Cb -0.07 -2.48 0.21 0.00 0.10 0.00 0.00 66.02 63.79 2dey s SER 413 CO -0.00 -1.08 0.91 -2.65 0.98 0.00 0.00 173.24 171.41 2dey n PRO 414 N -2.88 -1.65 -1.34 4.02 -0.02 -1.26 -4.01 135.00 127.86 2dey n PRO 414 Ca 0.07 -0.44 -0.38 0.00 -2.02 0.00 0.00 63.50 60.73 2dey n PRO 414 Cb 0.54 -2.16 0.04 0.00 -0.02 0.00 0.00 33.50 31.90 2dey n PRO 414 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2dey n PRO 415 N -4.25 0.33 -3.63 0.52 -0.02 -1.26 -4.10 135.00 122.59 2dey n PRO 415 Ca 0.06 0.14 -0.12 0.00 -2.02 0.00 0.00 63.50 61.55 2dey n PRO 415 Cb 0.54 -1.57 -0.07 0.00 -0.02 0.00 0.00 33.50 32.38 2dey n PRO 415 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2dey s VAL 416 N -1.84 0.00 -0.04 -1.45 0.11 -0.82 -4.86 120.40 111.51 2dey s VAL 416 Ca 0.64 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.76 2dey s VAL 416 Cb -0.41 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.42 2dey s VAL 416 CO 0.59 0.00 -0.24 -0.89 -3.33 0.00 0.00 175.10 171.23 2dey s THR 417 N 0.22 1.92 -0.10 5.04 2.01 -1.26 0.10 115.64 123.57 2dey s THR 417 Ca 0.01 -1.02 -0.02 0.00 0.31 0.00 0.00 61.69 60.97 2dey s THR 417 Cb -0.05 -1.61 0.04 0.00 0.01 0.00 0.00 72.50 70.89 2dey s THR 417 CO -0.02 0.54 0.03 -0.69 -0.69 0.00 0.00 174.62 173.79 2dey s VAL 418 N -0.36 0.25 -1.21 3.82 1.01 0.90 -4.60 120.40 120.21 2dey s VAL 418 Ca 0.03 0.03 -0.14 0.00 0.00 0.00 0.00 61.98 61.90 2dey s VAL 418 Cb -0.11 -0.55 0.14 0.00 0.00 0.00 0.00 36.38 35.86 2dey s VAL 418 CO 0.01 0.10 0.35 0.54 0.00 0.00 0.00 175.10 176.10 2dey n ARG 419 N 5.18 -0.83 0.00 2.72 1.74 -1.26 0.41 116.66 124.62 2dey n ARG 419 Ca -0.07 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2dey n ARG 419 Cb 0.49 -2.99 0.00 0.00 -1.02 0.00 0.00 32.46 28.94 2dey n ARG 419 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2dey n GLY 420 N -0.99 2.65 3.70 -0.13 0.00 -1.26 -5.03 105.19 104.12 2dey n GLY 420 Ca 0.05 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 2dey n GLY 420 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2dey s LYS 421 N 0.00 4.48 -0.07 1.61 2.20 0.17 -5.02 119.74 123.11 2dey s LYS 421 Ca 0.00 1.41 -0.14 0.00 -0.36 0.00 0.00 55.97 56.88 2dey s LYS 421 Cb 0.00 -3.51 -0.05 0.00 -1.51 0.00 0.00 37.83 32.76 2dey s LYS 421 CO 0.00 -0.20 0.37 -2.00 -0.36 0.00 0.00 175.35 173.16 2dey s GLU 422 N 1.58 4.02 -0.59 4.03 2.12 -1.26 -0.07 118.70 128.54 2dey s GLU 422 Ca 0.50 0.30 0.04 0.00 0.36 0.00 0.00 54.97 56.17 2dey s GLU 422 Cb -0.20 -3.30 0.16 0.00 0.26 0.00 0.00 34.13 31.05 2dey s GLU 422 CO 0.22 0.50 0.39 0.71 -0.54 0.00 0.00 175.26 176.54 2dey s TYR 423 N -0.43 2.95 -1.26 5.30 1.51 0.11 -4.95 117.35 120.59 2dey s TYR 423 Ca 0.22 -3.05 0.30 0.00 -1.01 0.00 0.00 57.07 53.52 2dey s TYR 423 Cb -0.15 -2.40 1.40 0.00 -0.11 0.00 0.00 41.96 40.70 2dey s TYR 423 CO 0.10 -0.66 2.00 -0.35 -1.11 0.00 0.00 175.55 175.53 2dey n PRO 424 N 2.56 0.26 -0.26 -1.71 -0.04 -1.26 -1.40 135.00 133.15 2dey n PRO 424 Ca 0.16 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.69 2dey n PRO 424 Cb 0.36 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.50 2dey n PRO 424 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2dey n LEU 425 N -1.37 3.20 0.00 1.53 4.77 -1.26 -4.62 117.00 119.25 2dey n LEU 425 Ca 0.11 -2.36 0.07 0.00 -0.03 0.00 0.00 56.01 53.80 2dey n LEU 425 Cb 0.28 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 2dey n LEU 425 CO 0.24 0.70 -0.09 0.61 -1.33 0.00 0.00 177.39 177.52 2dey n GLY 426 N 0.09 -1.86 3.07 -0.72 0.00 -0.49 -4.68 105.19 100.60 2dey n GLY 426 Ca 0.14 -1.28 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 2dey n GLY 426 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dey s ARG 427 N -1.08 2.34 0.34 1.61 3.52 -1.26 -4.26 118.95 120.16 2dey s ARG 427 Ca 0.00 -0.60 -0.29 0.00 -0.13 0.00 0.00 55.73 54.71 2dey s ARG 427 Cb 0.00 -1.97 -0.11 0.00 -1.56 0.00 0.00 34.95 31.30 2dey s ARG 427 CO 0.00 -0.06 1.51 0.42 -0.81 0.00 0.00 175.30 176.36 2dey s ILE 428 N 0.98 2.11 -0.10 4.11 1.01 0.88 -0.93 121.20 129.25 2dey s ILE 428 Ca -0.06 0.10 0.03 0.00 0.00 0.00 0.00 60.65 60.72 2dey s ILE 428 Cb -0.15 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.26 2dey s ILE 428 CO -0.02 0.02 -0.22 -0.76 0.00 0.00 0.00 174.94 173.97 2dey s LEU 429 N -1.45 2.01 0.05 2.97 1.02 0.52 0.80 118.68 124.61 2dey s LEU 429 Ca 0.57 -0.52 -0.10 0.00 0.02 0.00 0.00 54.13 54.10 2dey s LEU 429 Cb -0.46 -1.32 0.00 0.00 0.02 0.00 0.00 46.19 44.43 2dey s LEU 429 CO 0.56 0.12 0.20 0.72 0.02 0.00 0.00 176.35 177.98 2dey s PHE 430 N 0.48 0.06 0.08 0.29 -0.12 -0.51 -1.99 117.98 116.27 2dey s PHE 430 Ca -0.16 -0.32 -0.13 0.00 -0.05 0.00 0.00 56.93 56.26 2dey s PHE 430 Cb -0.17 -0.02 -0.06 0.00 -0.63 0.00 0.00 43.02 42.13 2dey s PHE 430 CO 0.06 -0.46 0.47 0.20 -0.05 0.00 0.00 175.22 175.44 2dey s GLY 431 N -2.26 2.45 0.04 1.99 0.00 -1.21 0.55 107.32 108.87 2dey s GLY 431 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.48 2dey s GLY 431 CO -0.06 0.08 0.04 1.34 0.00 0.00 0.00 173.10 174.50 2dey n ASP 432 N 1.18 -0.11 -4.99 1.64 2.03 0.17 -4.34 116.55 112.13 2dey n ASP 432 Ca -0.09 -1.25 -0.19 0.00 0.52 0.00 0.00 54.79 53.79 2dey n ASP 432 Cb 0.52 0.24 0.04 0.00 -0.72 0.00 0.00 41.12 41.20 2dey n ASP 432 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2dey s SER 433 N -1.27 5.30 0.21 1.67 1.04 -1.20 -0.96 113.70 118.49 2dey s SER 433 Ca 0.04 -0.52 0.16 0.00 0.48 0.00 0.00 55.95 56.11 2dey s SER 433 Cb 0.00 -0.28 0.01 0.00 0.10 0.00 0.00 66.02 65.84 2dey s SER 433 CO 0.03 -1.11 1.25 0.00 0.98 0.00 0.00 173.24 174.39 2dey s TYR 435 N -2.97 -0.42 -0.11 0.00 -0.85 -1.26 -5.13 117.35 106.61 2dey s TYR 435 Ca 0.02 0.46 -0.29 0.00 -0.52 0.00 0.00 57.07 56.73 2dey s TYR 435 Cb 0.08 0.34 -0.03 0.00 0.38 0.00 0.00 41.96 42.72 2dey s TYR 435 CO 0.77 -0.64 1.43 -1.25 -1.52 0.00 0.00 175.55 174.33 2dey s PRO 436 N -2.47 4.22 0.50 -3.49 0.04 -1.26 -4.87 135.00 127.67 2dey s PRO 436 Ca -0.05 1.89 0.01 0.00 0.04 0.00 0.00 61.00 62.90 2dey s PRO 436 Cb -0.01 -3.84 -0.01 0.00 0.04 0.00 0.00 34.50 30.68 2dey s PRO 436 CO -0.02 -0.75 0.03 -1.54 0.04 0.00 0.00 177.00 174.76 2dey s SER 437 N 2.51 3.91 0.55 6.66 1.04 -1.26 -4.99 113.70 122.11 2dey s SER 437 Ca 0.63 -1.67 0.36 0.00 0.48 0.00 0.00 55.95 55.75 2dey s SER 437 Cb -0.27 0.55 1.64 0.00 0.10 0.00 0.00 66.02 68.04 2dey s SER 437 CO 0.21 -0.88 2.07 0.78 0.98 0.00 0.00 173.24 176.40 2dey h ASN 438 N 1.41 0.00 0.00 7.02 -0.26 -2.06 -2.94 115.58 118.75 2dey h ASN 438 Ca -0.42 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.32 2dey h ASN 438 Cb 1.31 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.57 2dey h ASN 438 CO 0.71 0.00 -1.24 0.47 -1.06 0.00 0.00 177.43 176.31 2dey n ASP 439 N -2.99 0.75 -4.88 5.81 9.92 -1.26 -5.02 116.55 118.89 2dey n ASP 439 Ca -0.00 -0.65 -0.30 0.00 -0.53 0.00 0.00 54.79 53.30 2dey n ASP 439 Cb 0.22 1.30 0.01 0.00 -0.64 0.00 0.00 41.12 42.01 2dey n ASP 439 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2dey s SER 440 N -3.31 6.17 0.16 -2.24 1.04 -1.11 -5.09 113.70 109.31 2dey s SER 440 Ca 0.03 1.33 0.09 0.00 0.48 0.00 0.00 55.95 57.87 2dey s SER 440 Cb 0.14 -2.39 -0.04 0.00 0.10 0.00 0.00 66.02 63.83 2dey s SER 440 CO 0.81 -0.87 -0.19 -0.13 0.98 0.00 0.00 173.24 173.84 2dey s ARG 441 N -5.14 1.28 0.08 4.02 0.52 -1.26 -4.80 118.95 113.66 2dey s ARG 441 Ca 0.54 -1.38 -0.08 0.00 -0.52 0.00 0.00 55.73 54.29 2dey s ARG 441 Cb -0.11 -1.40 -0.01 0.00 0.52 0.00 0.00 34.95 33.95 2dey s ARG 441 CO 0.53 0.29 0.17 1.14 0.02 0.00 0.00 175.30 177.45 2dey s GLN 442 N -2.64 0.82 0.43 3.54 -2.07 -1.26 -3.27 119.66 115.21 2dey s GLN 442 Ca 0.15 -0.98 -0.24 0.00 -1.82 0.00 0.00 55.36 52.47 2dey s GLN 442 Cb -0.07 0.33 -0.08 0.00 -1.09 0.00 0.00 33.01 32.10 2dey s GLN 442 CO 0.07 -0.25 1.14 1.41 -1.32 0.00 0.00 175.29 176.33 2dey s MET 443 N -3.86 3.92 0.42 9.60 -2.45 -1.26 -4.64 119.30 121.03 2dey s MET 443 Ca 0.05 1.73 -0.25 0.00 -1.25 0.00 0.00 55.69 55.96 2dey s MET 443 Cb 0.05 -2.49 -0.10 0.00 1.25 0.00 0.00 34.83 33.54 2dey s MET 443 CO -0.11 -0.41 1.26 1.58 1.05 0.00 0.00 175.02 178.40 2dey n HIS 444 N -0.27 2.10 0.08 4.11 -0.00 -1.26 -4.78 115.22 115.20 2dey n HIS 444 Ca 0.06 0.50 0.04 0.00 0.46 0.00 0.00 57.72 58.78 2dey n HIS 444 Cb 0.48 -2.37 0.43 0.00 -0.12 0.00 0.00 29.99 28.41 2dey n HIS 444 CO 0.00 0.00 0.00 0.37 0.46 0.00 0.00 176.34 177.17 2dey h GLN 445 N 2.06 0.35 -0.80 1.57 5.75 -1.99 -1.86 115.11 120.20 2dey h GLN 445 Ca -0.48 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 57.96 2dey h GLN 445 Cb 1.30 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 29.74 2dey h GLN 445 CO 0.60 0.33 0.42 0.00 -2.65 0.00 0.00 178.83 177.53 2dey h ALA 446 N 1.72 1.25 -0.13 3.38 0.00 -1.99 0.24 119.26 123.72 2dey h ALA 446 Ca 0.08 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2dey h ALA 446 Cb 0.15 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2dey h ALA 446 CO -0.00 0.60 -0.23 -0.07 0.00 0.00 0.00 179.25 179.55 2dey h LEU 447 N 1.12 0.43 -0.31 0.00 3.38 -1.72 -1.92 115.31 116.29 2dey h LEU 447 Ca 0.28 -0.55 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 2dey h LEU 447 Cb 0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2dey h LEU 447 CO -0.04 0.90 0.18 1.56 0.09 0.00 0.00 178.44 181.12 2dey h GLN 448 N -0.02 0.43 -0.30 1.13 4.20 -0.94 -1.47 115.11 118.15 2dey h GLN 448 Ca 0.01 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 2dey h GLN 448 Cb 0.82 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 2dey h GLN 448 CO 0.05 0.34 0.15 -0.44 -0.67 0.00 0.00 178.83 178.26 2dey h ASP 449 N 0.39 0.38 -0.51 1.46 3.32 -0.61 -1.71 116.42 119.15 2dey h ASP 449 Ca 0.11 -0.11 0.09 0.00 0.02 0.00 0.00 57.03 57.14 2dey h ASP 449 Cb 0.03 -0.10 -0.07 0.00 0.22 0.00 0.00 39.33 39.41 2dey h ASP 449 CO -0.02 0.38 0.10 0.15 -1.72 0.00 0.00 179.24 178.13 2dey h PHE 450 N 0.35 0.16 -0.42 4.55 3.57 -1.19 -0.98 116.94 122.99 2dey h PHE 450 Ca 0.10 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.59 2dey h PHE 450 Cb 0.09 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 2dey h PHE 450 CO -0.02 -0.01 0.10 -0.07 -2.23 0.00 0.00 178.31 176.07 2dey h LEU 451 N 0.24 0.64 -1.11 0.59 3.38 -0.86 -2.37 115.31 115.82 2dey h LEU 451 Ca 0.26 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 2dey h LEU 451 Cb 0.34 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2dey h LEU 451 CO -0.33 0.71 -0.15 0.28 0.09 0.00 0.00 178.44 179.04 2dey h SER 452 N 0.53 0.44 0.92 -0.43 0.02 -1.29 -2.74 113.55 111.01 2dey h SER 452 Ca 0.13 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 2dey h SER 452 Cb 0.32 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.75 2dey h SER 452 CO 0.00 0.62 0.00 0.00 -1.14 0.00 0.00 176.83 176.31 2dey h ALA 453 N 1.43 1.00 0.00 3.77 0.00 -0.75 -2.31 119.26 122.39 2dey h ALA 453 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2dey h ALA 453 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2dey h ALA 453 CO 0.03 0.00 0.00 1.96 0.00 0.00 0.00 179.25 181.24 2dey h GLN 454 N 0.00 0.00 -3.55 0.00 1.08 -1.11 -3.42 115.11 108.10 2dey h GLN 454 Ca 0.00 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.14 2dey h GLN 454 Cb 0.46 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 2dey h GLN 454 CO 0.00 0.00 -0.07 1.04 -0.95 0.00 0.00 178.83 178.85 2dey n GLN 455 N -2.98 -2.10 0.00 1.46 6.02 -0.87 -4.63 117.38 114.27 2dey n GLN 455 Ca 0.01 0.17 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 2dey n GLN 455 Cb 0.29 -4.50 0.00 0.00 1.02 0.00 0.00 30.24 27.04 2dey n GLN 455 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2dey n VAL 456 N -2.11 0.00 -2.16 5.09 0.24 -1.26 -4.70 118.33 113.43 2dey n VAL 456 Ca -0.03 -0.32 -0.06 0.00 -2.04 0.00 0.00 64.34 61.88 2dey n VAL 456 Cb 0.36 1.09 0.08 0.00 -1.47 0.00 0.00 33.84 33.89 2dey n VAL 456 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2dey n GLN 457 N -0.49 2.08 0.00 7.34 6.02 -1.26 -4.60 117.38 126.47 2dey n GLN 457 Ca 0.00 -3.44 0.00 0.00 -0.01 0.00 0.00 57.00 53.55 2dey n GLN 457 Cb 0.02 -1.59 0.00 0.00 1.02 0.00 0.00 30.24 29.69 2dey n GLN 457 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2dey n ALA 458 N -0.60 0.00 -1.61 -1.58 0.00 -1.26 -0.09 120.51 115.37 2dey n ALA 458 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.29 2dey n ALA 458 Cb 0.89 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.39 2dey n ALA 458 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2dey n PRO 459 N 0.00 0.89 -4.03 0.00 -0.02 -1.26 -4.25 135.00 126.33 2dey n PRO 459 Ca 0.00 0.35 -0.34 0.00 -2.02 0.00 0.00 63.50 61.49 2dey n PRO 459 Cb 0.00 -2.15 -0.15 0.00 -0.02 0.00 0.00 33.50 31.18 2dey n PRO 459 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2dey s VAL 460 N -1.52 2.55 -0.07 -1.45 1.01 0.24 -4.92 120.40 116.24 2dey s VAL 460 Ca 0.75 -0.91 -0.29 0.00 0.00 0.00 0.00 61.98 61.52 2dey s VAL 460 Cb -0.42 -2.18 -0.06 0.00 0.00 0.00 0.00 36.38 33.71 2dey s VAL 460 CO 0.47 0.39 1.83 -0.54 0.00 0.00 0.00 175.10 177.25 2dey s LYS 461 N 1.33 3.98 0.48 2.72 1.02 -1.26 -1.42 119.74 126.58 2dey s LYS 461 Ca 0.03 2.24 0.08 0.00 0.02 0.00 0.00 55.97 58.34 2dey s LYS 461 Cb -0.15 -4.11 0.03 0.00 -0.52 0.00 0.00 37.83 33.09 2dey s LYS 461 CO -0.08 -1.11 0.61 -0.51 -0.92 0.00 0.00 175.35 173.34 2dey s LEU 462 N 4.90 3.40 -0.40 3.17 1.43 0.19 -4.92 118.68 126.45 2dey s LEU 462 Ca 0.82 -0.64 -0.09 0.00 -1.03 0.00 0.00 54.13 53.19 2dey s LEU 462 Cb -0.35 -2.18 0.06 0.00 0.03 0.00 0.00 46.19 43.75 2dey s LEU 462 CO 0.35 -0.95 0.22 -0.47 0.23 0.00 0.00 176.35 175.72 2dey s TYR 463 N -2.49 3.31 0.00 0.29 6.04 -1.26 0.43 117.35 123.67 2dey s TYR 463 Ca 0.55 -1.43 0.00 0.00 0.04 0.00 0.00 57.07 56.24 2dey s TYR 463 Cb -0.07 -2.74 0.00 0.00 -1.04 0.00 0.00 41.96 38.11 2dey s TYR 463 CO 0.34 -0.79 0.30 -1.13 -1.54 0.00 0.00 175.55 172.72 2dey n SER 464 N 4.91 0.60 0.26 4.32 3.41 -0.14 -4.81 113.62 122.17 2dey n SER 464 Ca -0.11 -0.89 0.15 0.00 -0.26 0.00 0.00 58.87 57.76 2dey n SER 464 Cb 0.44 0.12 0.55 0.00 -0.26 0.00 0.00 64.21 65.06 2dey n SER 464 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2dey h ASP 465 N 0.00 0.00 0.32 4.04 -0.00 -1.65 -2.36 116.42 116.76 2dey h ASP 465 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 2dey h ASP 465 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.45 2dey h ASP 465 CO 0.00 0.04 0.00 4.11 -0.00 0.00 0.00 179.24 183.39 2dey h TRP 466 N 0.00 0.00 -3.51 0.28 5.08 -1.87 -3.42 115.95 112.50 2dey h TRP 466 Ca -0.00 0.00 -0.53 0.00 1.08 0.00 0.00 58.89 59.44 2dey h TRP 466 Cb 0.64 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.77 2dey h TRP 466 CO 0.00 0.00 0.13 -0.51 -1.28 0.00 0.00 178.44 176.78 2dey s LEU 467 N -5.30 4.49 0.15 0.11 1.43 -0.89 -1.67 118.68 117.00 2dey s LEU 467 Ca -0.01 1.52 -0.19 0.00 -1.03 0.00 0.00 54.13 54.42 2dey s LEU 467 Cb 0.09 -3.37 0.04 0.00 0.03 0.00 0.00 46.19 42.99 2dey s LEU 467 CO 0.36 0.15 1.68 -1.28 0.23 0.00 0.00 176.35 177.49 2dey h SER 468 N 4.00 -0.31 -0.01 2.29 0.87 -1.54 -2.99 113.55 115.86 2dey h SER 468 Ca -0.48 0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.14 2dey h SER 468 Cb 1.20 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.37 2dey h SER 468 CO 0.65 -0.11 -0.13 0.58 -0.53 0.00 0.00 176.83 177.29 2dey h VAL 469 N -0.02 1.57 0.00 2.23 2.07 -1.92 -3.49 116.25 116.69 2dey h VAL 469 Ca 0.15 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 65.82 2dey h VAL 469 Cb 0.24 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 2dey h VAL 469 CO -0.32 0.49 0.00 0.61 0.02 0.00 0.00 177.57 178.37 2dey n GLY 470 N 0.97 1.75 3.34 2.17 0.00 -1.13 -4.62 105.19 107.67 2dey n GLY 470 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 2dey n GLY 470 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2dey s HIS 471 N -2.00 2.31 0.60 1.61 3.76 -1.26 -4.64 115.29 115.66 2dey s HIS 471 Ca 0.00 -0.41 0.39 0.00 -0.15 0.00 0.00 55.06 54.88 2dey s HIS 471 Cb 0.00 -1.39 2.15 0.00 1.11 0.00 0.00 32.58 34.45 2dey s HIS 471 CO 0.00 0.11 2.30 -0.39 -0.85 0.00 0.00 174.74 175.92 2dey h VAL 472 N 4.25 0.19 0.00 -0.90 -1.51 -1.82 -2.31 116.25 114.14 2dey h VAL 472 Ca -0.46 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 64.95 2dey h VAL 472 Cb 1.14 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 31.35 2dey h VAL 472 CO 0.44 0.01 0.00 -0.90 -1.23 0.00 0.00 177.57 175.89 2dey n ASP 473 N -3.34 0.53 0.10 4.19 3.85 -0.97 -1.93 116.55 118.98 2dey n ASP 473 Ca -0.03 0.59 0.12 0.00 -0.71 0.00 0.00 54.79 54.77 2dey n ASP 473 Cb 0.10 -0.72 0.45 0.00 -1.35 0.00 0.00 41.12 39.60 2dey n ASP 473 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2dey n GLU 474 N -2.04 0.21 0.00 0.11 1.02 -0.87 -4.05 120.64 115.01 2dey n GLU 474 Ca 0.04 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.46 2dey n GLU 474 Cb 0.30 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 2dey n GLU 474 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 2dey n PHE 475 N -2.17 0.00 -4.14 -0.32 1.16 -1.02 -4.83 117.46 106.14 2dey n PHE 475 Ca 0.04 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.49 2dey n PHE 475 Cb 0.34 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.10 2dey n PHE 475 CO 0.00 0.00 0.00 -0.48 -1.87 0.00 0.00 176.76 174.41 2dey s LEU 476 N -0.57 2.38 0.05 5.98 0.05 -0.81 -1.68 118.68 124.08 2dey s LEU 476 Ca 0.00 -0.78 -0.17 0.00 0.05 0.00 0.00 54.13 53.23 2dey s LEU 476 Cb 0.00 -0.22 0.03 0.00 -2.05 0.00 0.00 46.19 43.96 2dey s LEU 476 CO 0.00 -0.29 0.40 -0.55 -0.55 0.00 0.00 176.35 175.36 2dey s SER 477 N -2.31 -0.26 -0.00 1.48 0.15 -0.40 -4.56 113.70 107.78 2dey s SER 477 Ca 0.02 -0.05 0.03 0.00 0.70 0.00 0.00 55.95 56.66 2dey s SER 477 Cb -0.03 0.42 -0.03 0.00 -1.71 0.00 0.00 66.02 64.67 2dey s SER 477 CO -0.01 -0.68 -0.08 -0.36 1.20 0.00 0.00 173.24 173.32 2dey s PHE 478 N -2.60 2.86 0.06 3.44 0.40 -1.26 0.22 117.98 121.10 2dey s PHE 478 Ca -0.05 -0.05 0.02 0.00 -0.60 0.00 0.00 56.93 56.25 2dey s PHE 478 Cb -0.01 -1.61 -0.03 0.00 0.51 0.00 0.00 43.02 41.88 2dey s PHE 478 CO -0.03 0.35 -0.07 0.14 0.70 0.00 0.00 175.22 176.31 2dey s VAL 479 N -0.96 0.53 0.71 -0.44 -7.23 -0.61 -4.72 120.40 107.67 2dey s VAL 479 Ca 0.16 -1.43 -0.11 0.00 -1.81 0.00 0.00 61.98 58.79 2dey s VAL 479 Cb -0.11 -1.03 0.02 0.00 0.56 0.00 0.00 36.38 35.81 2dey s VAL 479 CO 0.06 -0.62 1.07 -2.16 -0.31 0.00 0.00 175.10 173.14 2dey s PRO 480 N -2.57 2.82 -0.06 4.82 0.04 -1.26 -0.27 135.00 138.52 2dey s PRO 480 Ca -0.01 0.98 -0.13 0.00 0.04 0.00 0.00 61.00 61.87 2dey s PRO 480 Cb -0.03 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.56 2dey s PRO 480 CO -0.02 -1.19 0.32 0.00 0.04 0.00 0.00 177.00 176.15 2dey s ALA 481 N -3.03 -0.80 -0.88 8.56 0.00 -0.89 -4.54 121.76 120.18 2dey s ALA 481 Ca 0.59 0.60 0.21 0.00 0.00 0.00 0.00 51.96 53.36 2dey s ALA 481 Cb -0.14 -0.21 0.87 0.00 0.00 0.00 0.00 23.12 23.64 2dey s ALA 481 CO 0.55 -0.21 1.67 -0.35 0.00 0.00 0.00 175.76 177.41 2dey n PRO 482 N 2.01 0.06 -0.21 0.00 -0.04 -1.26 -4.15 135.00 131.41 2dey n PRO 482 Ca -0.18 0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 2dey n PRO 482 Cb 0.57 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 2dey n PRO 482 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2dey n ASP 483 N -1.70 1.37 0.00 3.54 5.75 -1.26 -4.88 116.55 119.36 2dey n ASP 483 Ca 0.04 -0.10 0.00 0.00 -0.01 0.00 0.00 54.79 54.72 2dey n ASP 483 Cb 0.25 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 2dey n ASP 483 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2dey n ARG 484 N 0.00 0.00 0.00 0.11 1.85 -1.26 -0.11 116.66 117.25 2dey n ARG 484 Ca 0.00 0.00 0.12 0.00 -1.00 0.00 0.00 57.85 56.97 2dey n ARG 484 Cb 0.00 0.00 0.10 0.00 -1.05 0.00 0.00 32.46 31.51 2dey n ARG 484 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2dey n LYS 485 N 0.00 1.61 -0.31 2.89 5.02 -1.26 -4.97 118.16 121.14 2dey n LYS 485 Ca 0.00 -1.29 0.00 0.00 -2.02 0.00 0.00 58.31 55.00 2dey n LYS 485 Cb 0.00 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 2dey n LYS 485 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dey n GLY 486 N 1.37 0.71 3.43 0.72 0.00 0.84 -5.03 105.19 107.24 2dey n GLY 486 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 2dey n GLY 486 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2dey s PHE 487 N -2.44 0.25 0.00 1.61 -0.12 -1.26 -2.09 117.98 113.93 2dey s PHE 487 Ca 0.00 -0.60 0.08 0.00 -0.05 0.00 0.00 56.93 56.35 2dey s PHE 487 Cb 0.00 0.11 -0.03 0.00 -0.63 0.00 0.00 43.02 42.47 2dey s PHE 487 CO 0.00 -0.82 -0.23 1.03 -0.05 0.00 0.00 175.22 175.15 2dey s ARG 488 N -3.95 2.07 -0.16 1.99 1.81 0.62 -4.68 118.95 116.66 2dey s ARG 488 Ca 0.16 -0.96 -0.26 0.00 -1.72 0.00 0.00 55.73 52.95 2dey s ARG 488 Cb 0.01 -2.09 -0.01 0.00 -0.45 0.00 0.00 34.95 32.41 2dey s ARG 488 CO 0.01 0.55 0.85 -1.17 -0.68 0.00 0.00 175.30 174.86 2dey s LEU 489 N -0.95 4.19 -0.16 2.53 0.20 0.09 -1.58 118.68 123.00 2dey s LEU 489 Ca 0.11 1.22 -0.10 0.00 0.69 0.00 0.00 54.13 56.05 2dey s LEU 489 Cb -0.10 -3.28 -0.05 0.00 -0.43 0.00 0.00 46.19 42.33 2dey s LEU 489 CO 0.01 -0.40 0.19 -0.76 -0.29 0.00 0.00 176.35 175.10 2dey s LEU 490 N 2.11 4.28 -0.05 -0.68 1.43 0.13 -0.35 118.68 125.55 2dey s LEU 490 Ca 0.40 0.39 0.02 0.00 -1.03 0.00 0.00 54.13 53.91 2dey s LEU 490 Cb -0.17 -2.18 0.01 0.00 0.03 0.00 0.00 46.19 43.89 2dey s LEU 490 CO 0.13 0.23 -0.10 -0.76 0.23 0.00 0.00 176.35 176.08 2dey s LEU 491 N -0.04 1.59 0.38 1.79 1.43 -0.69 -1.28 118.68 121.86 2dey s LEU 491 Ca 0.13 -0.24 -0.24 0.00 -1.03 0.00 0.00 54.13 52.75 2dey s LEU 491 Cb -0.12 -0.69 -0.13 0.00 0.03 0.00 0.00 46.19 45.27 2dey s LEU 491 CO 0.02 0.02 0.57 0.00 0.23 0.00 0.00 176.35 177.19 2dey n ALA 492 N 3.77 -1.60 -3.29 4.21 0.00 -0.68 -1.37 120.51 121.56 2dey n ALA 492 Ca -0.23 0.22 -0.08 0.00 0.00 0.00 0.00 53.44 53.35 2dey n ALA 492 Cb 0.52 -1.77 -0.05 0.00 0.00 0.00 0.00 19.45 18.15 2dey n ALA 492 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dey s SER 493 N -0.91 0.09 0.26 0.00 0.15 0.57 -4.73 113.70 109.14 2dey s SER 493 Ca 0.62 -0.64 -0.03 0.00 0.70 0.00 0.00 55.95 56.60 2dey s SER 493 Cb -0.66 1.20 0.37 0.00 -1.71 0.00 0.00 66.02 65.23 2dey s SER 493 CO 0.58 -0.30 1.90 -0.65 1.20 0.00 0.00 173.24 175.97 2dey h PRO 494 N 7.75 1.19 -0.73 5.44 0.11 -1.67 -2.04 132.00 142.06 2dey h PRO 494 Ca -0.03 -0.07 0.16 0.00 0.11 0.00 0.00 66.00 66.17 2dey h PRO 494 Cb 1.12 -0.27 -0.12 0.00 0.11 0.00 0.00 31.00 31.84 2dey h PRO 494 CO 0.22 0.79 0.02 -0.09 -0.21 0.00 0.00 178.00 178.73 2dey h ARG 495 N 1.23 0.12 -0.37 1.05 2.43 -1.90 -0.59 114.38 116.34 2dey h ARG 495 Ca 0.42 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.47 2dey h ARG 495 Cb 0.08 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 2dey h ARG 495 CO -0.15 0.08 -0.20 1.03 -1.51 0.00 0.00 179.97 179.22 2dey h SER 496 N 0.12 0.72 -0.01 -3.80 0.87 -1.79 -1.34 113.55 108.32 2dey h SER 496 Ca 0.40 -0.25 -0.21 0.00 -1.23 0.00 0.00 61.79 60.50 2dey h SER 496 Cb 0.69 -0.20 0.01 0.00 -0.44 0.00 0.00 62.40 62.46 2dey h SER 496 CO -0.62 0.91 -0.76 0.00 -0.53 0.00 0.00 176.83 175.83 2dey h TYR 498 N 0.46 1.06 -0.10 0.00 -1.99 -0.99 -1.28 116.97 114.14 2dey h TYR 498 Ca -0.04 -0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.65 2dey h TYR 498 Cb 1.37 -0.34 -0.00 0.00 2.00 0.00 0.00 36.73 39.76 2dey h TYR 498 CO 0.07 0.75 0.06 -0.22 -0.00 0.00 0.00 178.16 178.83 2dey h LYS 499 N 1.07 0.14 -0.24 4.88 3.64 -1.12 -0.19 116.57 124.74 2dey h LYS 499 Ca 0.27 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.67 2dey h LYS 499 Cb 0.05 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 2dey h LYS 499 CO -0.04 0.13 0.05 1.25 -2.27 0.00 0.00 179.45 178.56 2dey h LEU 500 N 0.10 0.01 -0.37 5.20 6.46 -1.17 -0.31 115.31 125.23 2dey h LEU 500 Ca 0.04 0.04 -0.07 0.00 -0.12 0.00 0.00 57.88 57.76 2dey h LEU 500 Cb 0.03 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 39.99 2dey h LEU 500 CO -0.01 0.04 -0.06 -0.26 -0.62 0.00 0.00 178.44 177.53 2dey h PHE 501 N 0.14 0.77 -0.57 1.25 -1.00 -1.18 -0.82 116.94 115.53 2dey h PHE 501 Ca 0.11 -0.15 0.06 0.00 2.81 0.00 0.00 57.97 60.80 2dey h PHE 501 Cb 0.11 -0.19 -0.05 0.00 3.61 0.00 0.00 35.95 39.43 2dey h PHE 501 CO -0.16 0.82 0.27 0.37 -1.61 0.00 0.00 178.31 178.01 2dey h GLN 502 N 0.49 0.50 -0.12 1.51 5.75 -0.90 -0.19 115.11 122.15 2dey h GLN 502 Ca 0.10 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.56 2dey h GLN 502 Cb 0.55 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.99 2dey h GLN 502 CO 0.03 0.33 0.05 0.93 -2.65 0.00 0.00 178.83 177.52 2dey h GLU 503 N 0.52 0.18 -0.60 1.69 5.08 -0.79 0.21 114.58 120.87 2dey h GLU 503 Ca 0.26 -0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.71 2dey h GLU 503 Cb 0.21 -0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.33 2dey h GLU 503 CO -0.20 0.29 -0.03 1.96 -1.00 0.00 0.00 179.01 180.02 2dey h GLN 504 N 0.04 0.08 -0.50 2.33 7.50 -0.95 -1.97 115.11 121.64 2dey h GLN 504 Ca 0.04 -0.01 -0.09 0.00 0.50 0.00 0.00 58.65 59.09 2dey h GLN 504 Cb 0.18 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.67 2dey h GLN 504 CO -0.00 0.06 -0.06 0.37 -1.50 0.00 0.00 178.83 177.69 2dey h GLN 505 N 0.09 0.88 -0.08 1.46 4.15 -0.51 -1.67 115.11 119.43 2dey h GLN 505 Ca 0.31 -0.28 0.02 0.00 0.77 0.00 0.00 58.65 59.47 2dey h GLN 505 Cb 0.50 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.10 2dey h GLN 505 CO -0.54 0.92 0.06 -0.91 -1.93 0.00 0.00 178.83 176.43 2dey h ASN 506 N 0.80 0.00 -0.58 -0.69 2.35 -0.08 -2.13 115.58 115.25 2dey h ASN 506 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2dey h ASN 506 Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.94 2dey h ASN 506 CO 0.03 0.00 0.00 -0.62 -1.65 0.00 0.00 177.43 175.19 2dey n GLU 507 N -4.24 3.32 0.00 0.81 1.02 -0.79 -4.96 120.64 115.81 2dey n GLU 507 Ca -0.01 -2.70 0.00 0.00 -0.02 0.00 0.00 57.16 54.42 2dey n GLU 507 Cb 0.17 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 29.87 2dey n GLU 507 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dey n GLY 508 N 0.99 1.15 1.14 0.62 0.00 -0.80 -5.00 105.19 103.29 2dey n GLY 508 Ca 0.23 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.27 2dey n GLY 508 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dey n HIS 509 N -1.46 1.23 0.27 1.61 8.25 -0.68 -4.65 115.22 119.78 2dey n HIS 509 Ca 0.00 -1.17 0.05 0.00 -0.26 0.00 0.00 57.72 56.34 2dey n HIS 509 Cb 0.00 -0.43 0.22 0.00 1.12 0.00 0.00 29.99 30.89 2dey n HIS 509 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dey n GLY 510 N -0.69 -0.81 0.02 -1.41 0.00 -1.26 -0.53 105.19 100.52 2dey n GLY 510 Ca 0.28 -0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.42 2dey n GLY 510 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2dey n GLU 511 N -1.60 0.11 -1.88 1.61 4.07 -1.26 -1.34 120.64 120.35 2dey n GLU 511 Ca 0.02 0.03 -0.41 0.00 -0.06 0.00 0.00 57.16 56.73 2dey n GLU 511 Cb 0.10 -1.56 -0.01 0.00 -0.06 0.00 0.00 31.44 29.90 2dey n GLU 511 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2dey s ALA 512 N -3.07 3.61 -0.24 4.31 0.00 0.32 -4.70 121.76 122.00 2dey s ALA 512 Ca 0.09 1.48 -0.10 0.00 0.00 0.00 0.00 51.96 53.44 2dey s ALA 512 Cb 0.16 -3.59 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 2dey s ALA 512 CO 0.71 -0.92 0.14 -0.51 0.00 0.00 0.00 175.76 175.18 2dey s LEU 513 N -1.37 3.97 0.30 0.00 1.43 -1.26 -1.14 118.68 120.61 2dey s LEU 513 Ca 0.56 0.05 -0.27 0.00 -1.03 0.00 0.00 54.13 53.43 2dey s LEU 513 Cb -0.45 -2.06 -0.10 0.00 0.03 0.00 0.00 46.19 43.61 2dey s LEU 513 CO 0.54 0.06 0.96 -0.22 0.23 0.00 0.00 176.35 177.92 2dey s LEU 514 N 1.10 4.44 -0.34 1.79 0.20 0.33 -3.55 118.68 122.65 2dey s LEU 514 Ca 0.07 1.92 -0.01 0.00 0.69 0.00 0.00 54.13 56.80 2dey s LEU 514 Cb -0.14 -3.87 0.00 0.00 -0.43 0.00 0.00 46.19 41.76 2dey s LEU 514 CO 0.05 -0.02 0.08 0.49 -0.29 0.00 0.00 176.35 176.65 2dey n PHE 515 N 0.87 -0.33 -2.70 5.38 3.72 -0.25 -2.17 117.46 121.99 2dey n PHE 515 Ca 0.01 0.07 -0.40 0.00 -0.05 0.00 0.00 57.45 57.07 2dey n PHE 515 Cb 0.49 -1.69 -0.05 0.00 -0.94 0.00 0.00 39.48 37.28 2dey n PHE 515 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2dey s GLU 516 N -4.55 4.79 0.00 -1.08 0.41 -1.24 -3.68 118.70 113.35 2dey s GLU 516 Ca 0.04 1.54 0.00 0.00 -0.41 0.00 0.00 54.97 56.14 2dey s GLU 516 Cb -0.02 -3.28 0.00 0.00 -1.78 0.00 0.00 34.13 29.05 2dey s GLU 516 CO 0.05 0.40 0.00 0.41 -0.49 0.00 0.00 175.26 175.63 2dey n GLY 517 N 1.61 2.23 3.74 -1.39 0.00 -1.26 -4.78 105.19 105.34 2dey n GLY 517 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 2dey n GLY 517 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dey s ILE 518 N -2.46 5.26 0.00 -0.61 -1.09 -1.24 -5.03 121.20 116.03 2dey s ILE 518 Ca 0.00 0.67 0.00 0.00 -2.23 0.00 0.00 60.65 59.09 2dey s ILE 518 Cb 0.00 -3.68 0.00 0.00 -1.58 0.00 0.00 42.46 37.20 2dey s ILE 518 CO 0.00 0.39 0.86 0.29 -1.23 0.00 0.00 174.94 175.24 2dey n LYS 519 N 3.47 0.00 -3.86 2.79 5.02 -1.26 -4.30 118.16 120.01 2dey n LYS 519 Ca -0.11 0.76 -0.31 0.00 -2.02 0.00 0.00 58.31 56.63 2dey n LYS 519 Cb 0.52 -1.36 -0.12 0.00 -0.02 0.00 0.00 35.03 34.05 2dey n LYS 519 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2dey s LYS 520 N -2.43 2.36 -0.14 1.97 2.47 -1.26 -5.05 119.74 117.66 2dey s LYS 520 Ca 0.00 -2.89 -0.22 0.00 -1.56 0.00 0.00 55.97 51.30 2dey s LYS 520 Cb 0.00 -3.49 0.05 0.00 -1.46 0.00 0.00 37.83 32.93 2dey s LYS 520 CO 0.00 -1.19 0.56 0.21 0.16 0.00 0.00 175.35 175.09 2dey s LYS 521 N -0.70 0.77 -0.52 4.03 2.36 -1.26 -5.11 119.74 119.30 2dey s LYS 521 Ca 0.20 0.51 -0.28 0.00 -2.55 0.00 0.00 55.97 53.86 2dey s LYS 521 Cb -0.17 0.36 0.01 0.00 -1.05 0.00 0.00 37.83 36.98 2dey s LYS 521 CO -0.07 -0.16 1.50 0.21 1.55 0.00 0.00 175.35 178.39 2dey s LYS 522 N -0.31 3.26 0.52 4.03 2.20 -1.26 -5.00 119.74 123.18 2dey s LYS 522 Ca -0.05 0.63 -0.22 0.00 -0.36 0.00 0.00 55.97 55.98 2dey s LYS 522 Cb -0.03 -4.15 -0.07 0.00 -1.51 0.00 0.00 37.83 32.07 2dey s LYS 522 CO 0.04 -1.97 1.15 1.04 -0.36 0.00 0.00 175.35 175.24 2dey n GLN 523 N 8.62 1.41 -3.82 4.03 3.00 -1.26 -4.92 117.38 124.43 2dey n GLN 523 Ca 0.15 0.52 -0.15 0.00 -0.01 0.00 0.00 57.00 57.51 2dey n GLN 523 Cb 0.49 -2.31 -0.16 0.00 0.00 0.00 0.00 30.24 28.27 2dey n GLN 523 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2dey s GLN 524 N -2.55 0.03 0.12 -1.09 -0.21 -0.92 -4.96 119.66 110.08 2dey s GLN 524 Ca 0.69 0.12 -0.19 0.00 0.02 0.00 0.00 55.36 56.00 2dey s GLN 524 Cb -0.46 -0.24 -0.07 0.00 1.00 0.00 0.00 33.01 33.24 2dey s GLN 524 CO 0.52 -0.12 0.62 0.15 -2.12 0.00 0.00 175.29 174.33 2dey s LYS 525 N 0.81 4.22 0.30 2.91 1.02 -1.26 0.12 119.74 127.86 2dey s LYS 525 Ca -0.07 0.77 0.03 0.00 0.02 0.00 0.00 55.97 56.73 2dey s LYS 525 Cb -0.10 -3.13 0.76 0.00 -0.52 0.00 0.00 37.83 34.84 2dey s LYS 525 CO -0.02 0.56 1.64 0.82 -0.92 0.00 0.00 175.35 177.43 2dey h ILE 526 N 3.25 0.28 -0.59 2.17 2.04 -1.08 0.22 117.51 123.80 2dey h ILE 526 Ca -0.49 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 2dey h ILE 526 Cb 1.21 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 2dey h ILE 526 CO 0.64 0.04 0.22 0.07 0.00 0.00 0.00 178.15 179.12 2dey h LYS 527 N 0.19 0.86 0.00 2.37 2.10 -1.51 -0.66 116.57 119.93 2dey h LYS 527 Ca 0.58 -0.14 -0.18 0.00 -2.00 0.00 0.00 60.65 58.91 2dey h LYS 527 Cb 1.19 -0.15 -0.03 0.00 -0.90 0.00 0.00 32.23 32.35 2dey h LYS 527 CO -0.67 0.71 -0.95 -0.91 -2.00 0.00 0.00 179.45 175.63 2dey h ASN 528 N 0.84 0.00 0.20 7.07 2.35 -1.26 -0.86 115.58 123.92 2dey h ASN 528 Ca 0.20 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 2dey h ASN 528 Cb 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 2dey h ASN 528 CO -0.02 0.80 -0.10 0.40 -1.65 0.00 0.00 177.43 176.87 2dey h ILE 529 N 0.00 0.88 -0.38 2.81 2.04 -1.08 -2.18 117.51 119.60 2dey h ILE 529 Ca -0.05 -0.47 0.03 0.00 1.00 0.00 0.00 64.86 65.37 2dey h ILE 529 Cb 1.66 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 38.87 2dey h ILE 529 CO 0.10 0.11 0.19 -0.07 0.00 0.00 0.00 178.15 178.48 2dey h LEU 530 N -0.50 0.28 -0.41 1.44 4.07 -1.14 -2.64 115.31 116.41 2dey h LEU 530 Ca -0.03 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.95 2dey h LEU 530 Cb 0.38 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.08 2dey h LEU 530 CO 0.05 0.21 0.00 -1.54 -1.08 0.00 0.00 178.44 176.07 2dey n SER 531 N -4.92 0.30 -4.61 -0.43 3.41 -0.33 -4.67 113.62 102.37 2dey n SER 531 Ca 0.01 0.59 -0.43 0.00 -0.26 0.00 0.00 58.87 58.78 2dey n SER 531 Cb 0.09 -0.65 -0.02 0.00 -0.26 0.00 0.00 64.21 63.37 2dey n SER 531 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2dey s ASN 532 N -3.56 6.41 0.09 4.04 3.84 -0.82 -4.88 114.94 120.06 2dey s ASN 532 Ca 0.04 1.02 -0.00 0.00 0.21 0.00 0.00 52.86 54.12 2dey s ASN 532 Cb 0.08 -2.54 -0.26 0.00 -0.55 0.00 0.00 41.25 37.98 2dey s ASN 532 CO 0.27 -1.33 1.18 0.11 -2.79 0.00 0.00 177.10 174.54 2dey h LYS 533 N 10.40 0.17 -0.20 0.43 1.57 -1.88 -2.66 116.57 124.40 2dey h LYS 533 Ca -0.28 -0.30 -0.14 0.00 -1.87 0.00 0.00 60.65 58.07 2dey h LYS 533 Cb 1.11 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.53 2dey h LYS 533 CO 1.06 1.14 -0.41 1.15 -0.57 0.00 0.00 179.45 181.82 2dey h THR 534 N 0.05 1.33 -0.64 -0.16 2.02 -1.98 -1.67 112.91 111.85 2dey h THR 534 Ca -0.09 -1.64 0.04 0.00 0.77 0.00 0.00 66.41 65.49 2dey h THR 534 Cb 1.90 1.87 -0.04 0.00 -1.74 0.00 0.00 68.15 70.13 2dey h THR 534 CO 0.18 0.51 0.39 0.25 0.37 0.00 0.00 175.52 177.21 2dey h LEU 535 N 0.31 0.62 -1.27 2.58 6.46 -1.93 -0.77 115.31 121.30 2dey h LEU 535 Ca 0.01 0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.72 2dey h LEU 535 Cb 1.01 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.81 2dey h LEU 535 CO 0.09 0.42 -0.11 -0.09 -0.62 0.00 0.00 178.44 178.13 2dey h ARG 536 N 0.75 0.36 0.17 1.25 2.43 -1.34 -1.24 114.38 116.76 2dey h ARG 536 Ca 0.27 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 2dey h ARG 536 Cb 0.07 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2dey h ARG 536 CO -0.12 0.48 -0.08 0.93 -1.51 0.00 0.00 179.97 179.66 2dey h GLU 537 N 0.34 -0.23 -0.39 0.20 5.08 -0.54 -0.46 114.58 118.58 2dey h GLU 537 Ca 0.07 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.52 2dey h GLU 537 Cb 0.41 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.63 2dey h GLU 537 CO 0.02 0.06 -0.16 0.45 -1.00 0.00 0.00 179.01 178.38 2dey h HIS 538 N -0.51 -0.39 0.00 4.33 3.86 -1.01 -1.31 115.15 120.11 2dey h HIS 538 Ca -0.02 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 2dey h HIS 538 Cb 0.39 0.23 -0.00 0.00 1.06 0.00 0.00 27.41 29.09 2dey h HIS 538 CO 0.02 -0.24 -0.11 -0.91 0.86 0.00 0.00 177.93 177.55 2dey h ASN 539 N -0.09 0.00 -0.12 2.45 2.35 -1.20 -1.08 115.58 117.90 2dey h ASN 539 Ca 0.19 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.76 2dey h ASN 539 Cb 0.38 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 2dey h ASN 539 CO -0.45 0.11 -0.60 0.28 -1.65 0.00 0.00 177.43 175.12 2dey h SER 540 N 0.00 0.82 -0.45 5.81 0.02 -0.44 -0.75 113.55 118.56 2dey h SER 540 Ca -0.00 -0.46 -0.04 0.00 -0.84 0.00 0.00 61.79 60.45 2dey h SER 540 Cb 0.62 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 2dey h SER 540 CO 0.01 1.23 0.12 0.15 -1.14 0.00 0.00 176.83 177.20 2dey h PHE 541 N 0.54 0.74 -0.07 3.45 3.04 -0.66 -2.17 116.94 121.82 2dey h PHE 541 Ca -0.00 -0.08 -0.00 0.00 3.98 0.00 0.00 57.97 61.86 2dey h PHE 541 Cb 1.19 -0.21 -0.00 0.00 2.56 0.00 0.00 35.95 39.49 2dey h PHE 541 CO 0.06 0.68 0.02 0.28 -2.02 0.00 0.00 178.31 177.33 2dey h VAL 542 N 0.59 1.15 -0.91 1.41 2.07 -1.23 -1.82 116.25 117.51 2dey h VAL 542 Ca 0.14 -0.46 0.25 0.00 0.82 0.00 0.00 66.70 67.45 2dey h VAL 542 Cb 0.30 1.34 -0.14 0.00 -1.52 0.00 0.00 31.29 31.27 2dey h VAL 542 CO -0.00 0.13 0.33 -0.08 0.02 0.00 0.00 177.57 177.97 2dey h GLU 543 N -0.07 0.26 -0.54 1.57 4.81 -1.07 0.27 114.58 119.81 2dey h GLU 543 Ca 0.02 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 2dey h GLU 543 Cb 0.19 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 2dey h GLU 543 CO -0.00 0.17 -0.05 -0.09 -0.73 0.00 0.00 179.01 178.31 2dey h ARG 544 N 0.27 1.00 -0.54 1.92 2.43 -0.90 0.22 114.38 118.77 2dey h ARG 544 Ca 0.59 -0.35 -0.04 0.00 -0.81 0.00 0.00 59.98 59.37 2dey h ARG 544 Cb 1.20 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.66 2dey h ARG 544 CO -0.62 1.02 0.17 0.00 -1.51 0.00 0.00 179.97 179.03 2dey h ILE 546 N 0.75 1.28 -0.58 0.00 2.04 -0.21 -2.91 117.51 117.89 2dey h ILE 546 Ca 0.18 -1.09 0.06 0.00 1.00 0.00 0.00 64.86 65.01 2dey h ILE 546 Cb 0.28 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 2dey h ILE 546 CO -0.01 0.35 0.38 0.44 0.00 0.00 0.00 178.15 179.31 2dey h ASP 547 N 0.31 0.49 -0.10 1.72 3.32 -0.51 -0.50 116.42 121.14 2dey h ASP 547 Ca 0.07 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.14 2dey h ASP 547 Cb 0.54 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 2dey h ASP 547 CO 0.03 0.32 -0.01 -0.25 -1.72 0.00 0.00 179.24 177.61 2dey h TRP 548 N 0.56 -0.03 -0.53 4.55 2.91 -1.16 -2.46 115.95 119.79 2dey h TRP 548 Ca 0.25 0.01 -0.07 0.00 1.13 0.00 0.00 58.89 60.21 2dey h TRP 548 Cb 0.27 0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 28.93 2dey h TRP 548 CO -0.00 -0.03 0.06 -0.91 -1.03 0.00 0.00 178.44 176.53 2dey h ASN 549 N 0.02 0.82 -0.62 2.65 2.35 -1.27 -2.25 115.58 117.28 2dey h ASN 549 Ca 0.05 -0.18 0.12 0.00 -0.55 0.00 0.00 56.30 55.74 2dey h ASN 549 Cb 0.07 -0.22 -0.12 0.00 0.05 0.00 0.00 38.32 38.10 2dey h ASN 549 CO -0.09 0.85 -0.18 -0.09 -1.65 0.00 0.00 177.43 176.26 2dey h ARG 550 N 0.81 -0.03 0.00 0.81 2.43 -0.79 0.18 114.38 117.80 2dey h ARG 550 Ca 0.17 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.12 2dey h ARG 550 Cb 0.40 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2dey h ARG 550 CO 0.01 -0.02 -0.93 0.93 -1.51 0.00 0.00 179.97 178.46 2dey h GLU 551 N -0.03 0.33 -0.53 0.20 4.39 -1.24 0.16 114.58 117.86 2dey h GLU 551 Ca 0.29 -0.37 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 2dey h GLU 551 Cb 0.48 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.21 2dey h GLU 551 CO -0.65 1.06 0.31 1.25 -1.16 0.00 0.00 179.01 179.82 2dey h LEU 552 N 0.18 0.64 -0.33 1.33 5.85 -1.00 0.40 115.31 122.39 2dey h LEU 552 Ca -0.07 -0.07 -0.16 0.00 0.84 0.00 0.00 57.88 58.42 2dey h LEU 552 Cb 1.56 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 42.43 2dey h LEU 552 CO 0.15 0.52 -0.43 -0.07 -0.34 0.00 0.00 178.44 178.27 2dey h LEU 553 N 0.71 0.95 -0.27 2.25 3.38 -0.51 -0.66 115.31 121.16 2dey h LEU 553 Ca 0.19 -0.50 0.07 0.00 0.09 0.00 0.00 57.88 57.73 2dey h LEU 553 Cb 0.00 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.41 2dey h LEU 553 CO -0.03 1.26 -0.25 0.11 0.09 0.00 0.00 178.44 179.62 2dey h LYS 554 N 0.67 -0.23 0.42 1.13 1.57 -0.79 0.13 116.57 119.46 2dey h LYS 554 Ca 0.04 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 2dey h LYS 554 Cb 1.03 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2dey h LYS 554 CO 0.10 -0.15 -0.20 -0.09 -0.57 0.00 0.00 179.45 178.54 2dey h ARG 555 N -0.24 -0.54 0.00 3.15 2.43 -0.83 0.11 114.38 118.46 2dey h ARG 555 Ca 0.15 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2dey h ARG 555 Cb 0.47 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2dey h ARG 555 CO -0.41 -0.25 0.00 0.39 -1.51 0.00 0.00 179.97 178.18 2dey n GLU 556 N -5.24 0.02 0.00 0.20 -0.58 -0.26 -3.28 120.64 111.50 2dey n GLU 556 Ca -0.11 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 2dey n GLU 556 Cb 0.28 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.65 2dey n GLU 556 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2dey n LEU 557 N -1.49 0.38 -2.72 -4.62 4.32 0.03 -5.02 117.00 107.88 2dey n LEU 557 Ca 0.06 -0.65 -0.16 0.00 -0.02 0.00 0.00 56.01 55.24 2dey n LEU 557 Cb 0.27 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 42.13 2dey n LEU 557 CO 0.22 0.09 0.15 0.61 -1.22 0.00 0.00 177.39 177.24 2dey n GLY 558 N 0.55 -0.12 3.87 -0.72 0.00 0.35 -4.53 105.19 104.59 2dey n GLY 558 Ca 0.00 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 2dey n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dey s LEU 559 N -5.42 4.25 0.36 0.99 1.43 -0.97 -4.97 118.68 114.36 2dey s LEU 559 Ca 0.31 0.92 0.08 0.00 -1.03 0.00 0.00 54.13 54.41 2dey s LEU 559 Cb -0.14 -3.44 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 2dey s LEU 559 CO 0.52 0.02 0.25 0.00 0.23 0.00 0.00 176.35 177.38 2dey s ALA 560 N -1.65 3.76 0.44 4.21 0.00 -1.26 -4.70 121.76 122.56 2dey s ALA 560 Ca 0.42 -1.81 0.16 0.00 0.00 0.00 0.00 51.96 50.73 2dey s ALA 560 Cb -0.13 -0.91 1.08 0.00 0.00 0.00 0.00 23.12 23.15 2dey s ALA 560 CO 0.20 -0.06 1.96 0.93 0.00 0.00 0.00 175.76 178.80 2dey h GLU 561 N 1.31 0.36 0.00 0.00 4.39 -1.99 0.46 114.58 119.11 2dey h GLU 561 Ca -0.43 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.24 2dey h GLU 561 Cb 1.26 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 2dey h GLU 561 CO 0.61 0.24 0.00 -1.13 -1.16 0.00 0.00 179.01 177.56 2dey n SER 562 N -4.46 0.00 -0.52 1.42 3.41 -1.26 -0.91 113.62 111.29 2dey n SER 562 Ca 0.11 -0.07 0.13 0.00 -0.26 0.00 0.00 58.87 58.78 2dey n SER 562 Cb 0.44 -0.23 0.37 0.00 -0.26 0.00 0.00 64.21 64.53 2dey n SER 562 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2dey n ASP 563 N -1.23 1.73 -4.18 4.04 8.00 0.15 -4.97 116.55 120.10 2dey n ASP 563 Ca 0.09 -1.47 -0.28 0.00 0.71 0.00 0.00 54.79 53.84 2dey n ASP 563 Cb 0.12 0.07 -0.16 0.00 -0.02 0.00 0.00 41.12 41.13 2dey n ASP 563 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2dey s ILE 564 N -2.15 1.65 -0.14 0.53 1.01 -0.09 -0.73 121.20 121.28 2dey s ILE 564 Ca 0.31 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 60.15 2dey s ILE 564 Cb 0.20 -1.41 0.01 0.00 0.01 0.00 0.00 42.46 41.27 2dey s ILE 564 CO 0.39 0.47 -0.20 -0.63 0.00 0.00 0.00 174.94 174.96 2dey s ILE 565 N -0.01 2.20 0.04 2.92 1.01 0.53 -4.97 121.20 122.92 2dey s ILE 565 Ca -0.04 -0.93 -0.27 0.00 0.00 0.00 0.00 60.65 59.41 2dey s ILE 565 Cb -0.13 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 40.40 2dey s ILE 565 CO 0.03 0.54 0.83 -1.81 0.00 0.00 0.00 174.94 174.53 2dey s ASP 566 N 0.82 7.28 -0.22 3.58 -0.00 -1.26 -1.70 116.67 125.17 2dey s ASP 566 Ca -0.06 1.53 -0.07 0.00 -0.00 0.00 0.00 52.55 53.95 2dey s ASP 566 Cb -0.15 -2.50 -0.03 0.00 -0.00 0.00 0.00 42.92 40.23 2dey s ASP 566 CO -0.02 -0.06 0.05 -0.63 -0.00 0.00 0.00 175.17 174.52 2dey s ILE 567 N 0.19 4.34 0.17 0.77 -1.09 -0.47 -4.93 121.20 120.18 2dey s ILE 567 Ca 0.42 -0.17 -0.32 0.00 -2.23 0.00 0.00 60.65 58.35 2dey s ILE 567 Cb -0.21 -2.99 -0.11 0.00 -1.58 0.00 0.00 42.46 37.57 2dey s ILE 567 CO 0.25 0.39 1.74 -2.16 -1.23 0.00 0.00 174.94 173.92 2dey s PRO 568 N 1.15 4.14 -0.29 2.79 0.04 -1.26 -0.31 135.00 141.26 2dey s PRO 568 Ca 0.04 2.56 -0.15 0.00 0.04 0.00 0.00 61.00 63.49 2dey s PRO 568 Cb -0.14 -3.28 0.10 0.00 0.04 0.00 0.00 34.50 31.21 2dey s PRO 568 CO 0.03 -0.76 0.73 -1.14 0.04 0.00 0.00 177.00 175.90 2dey s GLN 569 N 1.77 0.62 0.04 4.56 2.00 -0.80 -4.78 119.66 123.07 2dey s GLN 569 Ca 0.76 1.18 0.02 0.00 -2.00 0.00 0.00 55.36 55.32 2dey s GLN 569 Cb -0.47 0.28 -0.04 0.00 0.80 0.00 0.00 33.01 33.58 2dey s GLN 569 CO 0.33 -0.15 0.06 -0.51 -0.50 0.00 0.00 175.29 174.52 2dey s LEU 570 N 1.87 3.74 0.32 3.68 1.02 -1.26 -2.00 118.68 126.05 2dey s LEU 570 Ca -0.09 0.02 0.06 0.00 0.02 0.00 0.00 54.13 54.14 2dey s LEU 570 Cb -0.06 -2.32 -0.06 0.00 0.02 0.00 0.00 46.19 43.77 2dey s LEU 570 CO -0.19 0.22 -0.01 -0.36 0.02 0.00 0.00 176.35 176.03 2dey s PHE 571 N -1.27 2.06 0.03 0.29 0.40 -1.26 -0.80 117.98 117.42 2dey s PHE 571 Ca 0.25 -0.77 0.02 0.00 -0.60 0.00 0.00 56.93 55.83 2dey s PHE 571 Cb -0.12 -1.28 -0.02 0.00 0.51 0.00 0.00 43.02 42.11 2dey s PHE 571 CO 0.17 0.22 -0.06 -1.59 0.70 0.00 0.00 175.22 174.66 2dey s LYS 572 N -3.78 0.46 0.06 0.44 -2.85 -0.10 -4.62 119.74 109.35 2dey s LYS 572 Ca 0.33 -0.58 -0.12 0.00 -1.00 0.00 0.00 55.97 54.59 2dey s LYS 572 Cb 0.06 -0.27 -0.06 0.00 -2.06 0.00 0.00 37.83 35.50 2dey s LYS 572 CO 0.14 0.05 0.42 -0.51 0.10 0.00 0.00 175.35 175.56 2dey s LEU 573 N -1.17 4.40 0.00 2.77 1.43 -1.26 -0.90 118.68 123.94 2dey s LEU 573 Ca -0.07 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 53.93 2dey s LEU 573 Cb -0.08 -2.87 0.00 0.00 0.03 0.00 0.00 46.19 43.27 2dey s LEU 573 CO 0.00 0.22 0.00 0.29 0.23 0.00 0.00 176.35 177.09 2dey n LYS 574 N 1.24 0.00 -2.09 1.70 4.76 -0.25 -4.88 118.16 118.64 2dey n LYS 574 Ca -0.10 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 54.93 2dey n LYS 574 Cb 0.52 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.69 2dey n LYS 574 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2dey s GLU 575 N 3.61 4.33 -2.13 1.97 2.02 -1.26 -1.60 118.70 125.63 2dey s GLU 575 Ca 0.00 2.24 0.00 0.00 0.02 0.00 0.00 54.97 57.23 2dey s GLU 575 Cb 0.00 -3.08 0.00 0.00 0.10 0.00 0.00 34.13 31.15 2dey s GLU 575 CO 0.00 -0.24 0.00 1.19 0.02 0.00 0.00 175.26 176.23 2dey n PHE 576 N 1.13 -0.19 -2.60 1.61 3.72 -1.26 -2.16 117.46 117.71 2dey n PHE 576 Ca 0.01 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.20 2dey n PHE 576 Cb 0.41 -3.57 0.00 0.00 -0.94 0.00 0.00 39.48 35.39 2dey n PHE 576 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2dey n SER 577 N -1.49 -6.03 -4.89 4.37 7.64 -0.63 -4.99 113.62 107.60 2dey n SER 577 Ca -0.22 -0.11 -0.34 0.00 1.01 0.00 0.00 58.87 59.22 2dey n SER 577 Cb 0.69 -4.97 -0.05 0.00 -1.01 0.00 0.00 64.21 58.86 2dey n SER 577 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2dey s LYS 578 N -5.26 3.60 -0.13 1.43 -0.14 -0.92 -4.69 119.74 113.63 2dey s LYS 578 Ca 0.10 -0.08 -0.16 0.00 -1.36 0.00 0.00 55.97 54.46 2dey s LYS 578 Cb -0.04 -3.02 -0.04 0.00 -1.68 0.00 0.00 37.83 33.05 2dey s LYS 578 CO 0.12 0.60 0.39 0.00 -0.76 0.00 0.00 175.35 175.70 2dey s ALA 579 N -1.41 3.54 0.21 5.17 0.00 -0.67 -1.09 121.76 127.51 2dey s ALA 579 Ca 0.32 -0.30 0.08 0.00 0.00 0.00 0.00 51.96 52.06 2dey s ALA 579 Cb -0.13 -2.52 -0.05 0.00 0.00 0.00 0.00 23.12 20.42 2dey s ALA 579 CO 0.19 0.07 -0.16 -1.21 0.00 0.00 0.00 175.76 174.66 2dey s GLU 580 N 0.44 1.37 0.18 0.00 2.02 -0.07 -1.63 118.70 121.01 2dey s GLU 580 Ca 0.22 -1.60 -0.30 0.00 0.02 0.00 0.00 54.97 53.31 2dey s GLU 580 Cb -0.14 -1.23 -0.08 0.00 0.10 0.00 0.00 34.13 32.78 2dey s GLU 580 CO 0.08 0.21 1.17 0.00 0.02 0.00 0.00 175.26 176.74 2dey s ALA 581 N -2.82 3.42 0.07 5.21 0.00 -1.26 -0.93 121.76 125.45 2dey s ALA 581 Ca 0.23 0.92 -0.14 0.00 0.00 0.00 0.00 51.96 52.96 2dey s ALA 581 Cb -0.02 -3.40 -0.24 0.00 0.00 0.00 0.00 23.12 19.46 2dey s ALA 581 CO 0.08 -0.33 1.17 0.35 0.00 0.00 0.00 175.76 177.03 2dey h PHE 582 N 5.22 1.02 -3.50 0.00 3.04 -1.22 -3.44 116.94 118.06 2dey h PHE 582 Ca -0.44 -0.57 -0.33 0.00 3.98 0.00 0.00 57.97 60.60 2dey h PHE 582 Cb 1.21 -0.11 -0.14 0.00 2.56 0.00 0.00 35.95 39.47 2dey h PHE 582 CO 0.62 1.41 -0.67 -0.59 -2.02 0.00 0.00 178.31 177.06 2dey s PHE 583 N -3.26 1.35 -0.40 0.41 -0.12 -1.26 -5.03 117.98 109.68 2dey s PHE 583 Ca -0.10 -0.92 -0.45 0.00 -0.05 0.00 0.00 56.93 55.41 2dey s PHE 583 Cb 0.06 -0.76 -0.20 0.00 -0.63 0.00 0.00 43.02 41.50 2dey s PHE 583 CO 0.92 -0.07 1.50 -2.30 -0.05 0.00 0.00 175.22 175.22 2dey n PRO 584 N -0.30 0.03 -1.96 1.99 -0.02 -1.26 -4.72 135.00 128.76 2dey n PRO 584 Ca -0.07 0.01 -0.31 0.00 -2.02 0.00 0.00 63.50 61.11 2dey n PRO 584 Cb 0.63 -1.51 -0.04 0.00 -0.02 0.00 0.00 33.50 32.55 2dey n PRO 584 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2dey s ASN 585 N 2.42 5.02 0.49 2.55 3.84 -1.26 -4.65 114.94 123.36 2dey s ASN 585 Ca 1.02 -0.04 0.28 0.00 0.21 0.00 0.00 52.86 54.34 2dey s ASN 585 Cb -1.44 -2.54 1.16 0.00 -0.55 0.00 0.00 41.25 37.87 2dey s ASN 585 CO 0.77 -2.70 1.92 0.24 -2.79 0.00 0.00 177.10 174.53 2dey h MET 586 N 13.68 0.00 0.00 0.43 2.86 -1.84 -2.10 114.93 127.96 2dey h MET 586 Ca -0.09 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 2dey h MET 586 Cb 1.09 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.75 2dey h MET 586 CO 1.19 0.12 -0.04 -0.24 1.06 0.00 0.00 176.91 179.01 2dey h VAL 587 N 0.00 0.09 -0.27 -2.22 3.04 -1.91 -3.30 116.25 111.68 2dey h VAL 587 Ca -0.00 -0.66 -0.70 0.00 -1.01 0.00 0.00 66.70 64.33 2dey h VAL 587 Cb 0.61 1.60 -0.02 0.00 -2.01 0.00 0.00 31.29 31.47 2dey h VAL 587 CO 0.02 0.03 3.33 -3.20 -1.01 0.00 0.00 177.57 176.74 2dey n ASN 588 N -3.14 7.11 -4.87 3.17 2.85 -0.79 -4.49 115.26 115.11 2dey n ASN 588 Ca 0.01 -2.76 -0.21 0.00 -0.11 0.00 0.00 54.58 51.51 2dey n ASN 588 Cb 0.35 -1.55 -0.03 0.00 1.24 0.00 0.00 39.78 39.78 2dey n ASN 588 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2dey s MET 589 N 1.83 2.70 -0.23 1.20 0.23 -1.24 -1.59 119.30 122.19 2dey s MET 589 Ca 0.59 -1.34 -0.08 0.00 -1.03 0.00 0.00 55.69 53.83 2dey s MET 589 Cb 0.16 -2.47 -0.04 0.00 -1.53 0.00 0.00 34.83 30.96 2dey s MET 589 CO -0.07 0.02 0.09 -1.17 -2.03 0.00 0.00 175.02 171.87 2dey s LEU 590 N -4.04 3.68 -0.37 0.18 2.96 -0.27 -4.09 118.68 116.72 2dey s LEU 590 Ca 0.43 -0.07 -0.06 0.00 -0.22 0.00 0.00 54.13 54.21 2dey s LEU 590 Cb -0.05 -1.98 0.07 0.00 0.50 0.00 0.00 46.19 44.73 2dey s LEU 590 CO 0.27 0.03 0.16 -0.69 -1.32 0.00 0.00 176.35 174.80 2dey s VAL 591 N 1.22 3.68 -0.68 1.68 1.01 -1.26 -0.25 120.40 125.80 2dey s VAL 591 Ca 0.05 -1.47 0.05 0.00 0.00 0.00 0.00 61.98 60.61 2dey s VAL 591 Cb -0.14 -3.24 0.28 0.00 0.00 0.00 0.00 36.38 33.28 2dey s VAL 591 CO 0.04 -0.39 0.92 0.18 0.00 0.00 0.00 175.10 175.85 2dey n LEU 592 N 4.76 4.36 0.00 3.92 4.32 0.18 -4.90 117.00 129.65 2dey n LEU 592 Ca -0.09 -5.49 0.00 0.00 -0.02 0.00 0.00 56.01 50.40 2dey n LEU 592 Cb 0.43 -0.71 0.00 0.00 -1.62 0.00 0.00 43.42 41.52 2dey n LEU 592 CO 0.33 2.11 0.00 0.61 -1.22 0.00 0.00 177.39 179.23 2dey n GLY 593 N 0.54 1.12 0.00 -0.72 0.00 -1.26 -2.60 105.19 102.27 2dey n GLY 593 Ca 0.31 -0.68 0.06 0.00 0.00 0.00 0.00 46.02 45.71 2dey n GLY 593 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dey n LYS 594 N 12.55 0.25 -3.62 1.61 4.01 -1.26 -4.66 118.16 127.03 2dey n LYS 594 Ca 0.00 0.12 -0.39 0.00 -0.51 0.00 0.00 58.31 57.53 2dey n LYS 594 Cb 0.00 -1.50 -0.11 0.00 -0.51 0.00 0.00 35.03 32.91 2dey n LYS 594 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 2dey s HIS 595 N -2.40 3.19 -0.15 2.13 3.76 -1.07 0.94 115.29 121.70 2dey s HIS 595 Ca 0.14 -0.45 -0.06 0.00 -0.15 0.00 0.00 55.06 54.54 2dey s HIS 595 Cb 0.09 -2.39 -0.04 0.00 1.11 0.00 0.00 32.58 31.35 2dey s HIS 595 CO 0.18 -0.42 0.05 -0.51 -0.85 0.00 0.00 174.74 173.19 2dey s LEU 596 N 1.65 3.79 -0.50 0.89 1.43 0.08 -0.64 118.68 125.38 2dey s LEU 596 Ca 0.05 0.14 -0.13 0.00 -1.03 0.00 0.00 54.13 53.16 2dey s LEU 596 Cb -0.17 -1.93 0.11 0.00 0.03 0.00 0.00 46.19 44.24 2dey s LEU 596 CO 0.07 0.26 0.41 -0.83 0.23 0.00 0.00 176.35 176.50 2dey s GLY 597 N -0.17 2.06 -0.14 -3.19 0.00 0.65 -1.66 107.32 104.87 2dey s GLY 597 Ca 0.07 -2.44 -0.02 0.00 0.00 0.00 0.00 44.72 42.32 2dey s GLY 597 CO 0.01 1.13 -0.06 -0.42 0.00 0.00 0.00 173.10 173.77 2dey s ILE 598 N 1.51 3.75 0.22 0.90 1.01 0.81 -1.11 121.20 128.28 2dey s ILE 598 Ca 0.04 -0.42 -0.32 0.00 0.00 0.00 0.00 60.65 59.95 2dey s ILE 598 Cb -0.27 -2.62 -0.13 0.00 0.01 0.00 0.00 42.46 39.46 2dey s ILE 598 CO 0.02 0.52 1.63 -0.81 0.00 0.00 0.00 174.94 176.30 2dey n PRO 599 N 3.31 2.54 -2.03 2.79 -0.04 -1.26 -0.07 135.00 140.25 2dey n PRO 599 Ca -0.18 0.91 -0.43 0.00 -0.04 0.00 0.00 63.50 63.77 2dey n PRO 599 Cb 0.53 -2.71 -0.03 0.00 -0.04 0.00 0.00 33.50 31.25 2dey n PRO 599 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2dey s LYS 600 N 0.59 3.82 0.45 0.54 2.20 -0.12 -4.71 119.74 122.50 2dey s LYS 600 Ca 0.73 1.83 0.28 0.00 -0.36 0.00 0.00 55.97 58.45 2dey s LYS 600 Cb -0.56 -4.07 0.96 0.00 -1.51 0.00 0.00 37.83 32.66 2dey s LYS 600 CO 0.39 -1.28 1.82 -1.00 -0.36 0.00 0.00 175.35 174.92 2dey h PRO 601 N 10.92 0.00 -6.12 4.03 0.13 -1.90 -3.42 132.00 135.63 2dey h PRO 601 Ca -0.36 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.35 2dey h PRO 601 Cb 1.17 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.37 2dey h PRO 601 CO 0.99 0.00 -0.88 1.19 -0.23 0.00 0.00 178.00 179.06 2dey n PHE 602 N -2.90 -1.94 -2.28 1.56 3.01 -1.26 -4.39 117.46 109.26 2dey n PHE 602 Ca 0.02 0.68 -0.26 0.00 1.01 0.00 0.00 57.45 58.90 2dey n PHE 602 Cb 0.37 -3.91 0.12 0.00 -0.01 0.00 0.00 39.48 36.06 2dey n PHE 602 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2dey s GLY 603 N -3.91 1.75 -0.02 1.37 0.00 -1.26 -1.09 107.32 104.16 2dey s GLY 603 Ca 0.24 -1.36 -0.34 0.00 0.00 0.00 0.00 44.72 43.26 2dey s GLY 603 CO 0.83 -0.77 1.82 -1.05 0.00 0.00 0.00 173.10 173.94 2dey n PRO 604 N -3.15 2.25 -2.87 2.90 -0.02 -1.23 -4.64 135.00 128.24 2dey n PRO 604 Ca 0.13 0.82 -0.42 0.00 -2.02 0.00 0.00 63.50 62.02 2dey n PRO 604 Cb 0.60 -2.66 -0.04 0.00 -0.02 0.00 0.00 33.50 31.38 2dey n PRO 604 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2dey s VAL 605 N 3.35 4.76 -0.04 -1.45 1.01 -1.26 -1.76 120.40 125.01 2dey s VAL 605 Ca 0.89 1.41 -0.02 0.00 0.00 0.00 0.00 61.98 64.27 2dey s VAL 605 Cb -0.66 -4.18 0.03 0.00 0.00 0.00 0.00 36.38 31.57 2dey s VAL 605 CO 0.47 -0.23 0.04 -0.63 0.00 0.00 0.00 175.10 174.76 2dey s ILE 606 N 3.03 -0.02 -1.40 2.22 1.01 0.30 -4.75 121.20 121.58 2dey s ILE 606 Ca 0.35 0.34 -0.08 0.00 0.00 0.00 0.00 60.65 61.26 2dey s ILE 606 Cb -0.14 -0.20 0.04 0.00 0.01 0.00 0.00 42.46 42.17 2dey s ILE 606 CO 0.11 0.18 1.01 0.59 0.00 0.00 0.00 174.94 176.82 2dey n ASN 607 N 5.06 -4.39 -0.85 3.58 4.13 -1.26 -2.78 115.26 118.76 2dey n ASN 607 Ca -0.08 -0.69 -0.10 0.00 1.68 0.00 0.00 54.58 55.39 2dey n ASN 607 Cb 0.50 -4.44 -0.03 0.00 -1.54 0.00 0.00 39.78 34.27 2dey n ASN 607 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2dey n GLY 608 N -1.71 0.82 3.35 7.41 0.00 -1.26 -4.98 105.19 108.81 2dey n GLY 608 Ca -0.07 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 2dey n GLY 608 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dey s ARG 609 N -3.28 0.45 -0.10 1.61 1.81 -1.12 -5.11 118.95 113.21 2dey s ARG 609 Ca 0.00 0.91 -0.37 0.00 -1.72 0.00 0.00 55.73 54.55 2dey s ARG 609 Cb 0.00 0.06 -0.14 0.00 -0.45 0.00 0.00 34.95 34.42 2dey s ARG 609 CO 0.00 -0.17 1.70 0.00 -0.68 0.00 0.00 175.30 176.15 2dey h LEU 612 N 0.00 -0.40 -0.31 0.00 3.38 -1.90 0.96 115.31 117.04 2dey h LEU 612 Ca -0.00 -0.13 0.07 0.00 0.09 0.00 0.00 57.88 57.90 2dey h LEU 612 Cb 0.91 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.68 2dey h LEU 612 CO 0.03 -0.07 -0.36 -0.33 0.09 0.00 0.00 178.44 177.79 2dey h GLU 613 N -0.74 -0.32 -0.53 1.13 5.08 -1.95 0.21 114.58 117.46 2dey h GLU 613 Ca -0.05 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.39 2dey h GLU 613 Cb 0.50 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.74 2dey h GLU 613 CO 0.08 -0.21 -0.56 0.93 -1.00 0.00 0.00 179.01 178.24 2dey h GLU 614 N -0.33 -0.31 -0.38 2.33 4.39 -1.27 0.07 114.58 119.09 2dey h GLU 614 Ca 0.14 0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.93 2dey h GLU 614 Cb 0.56 0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.21 2dey h GLU 614 CO -0.49 -0.20 -0.07 -0.22 -1.16 0.00 0.00 179.01 176.86 2dey h LYS 615 N -0.32 0.02 -0.29 2.33 1.63 -0.40 -0.76 116.57 118.78 2dey h LYS 615 Ca 0.09 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 2dey h LYS 615 Cb 0.56 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.17 2dey h LYS 615 CO -0.67 0.02 0.19 0.28 -3.45 0.00 0.00 179.45 175.82 2dey h VAL 616 N 0.02 1.07 -0.51 2.00 2.07 -0.62 -1.44 116.25 118.85 2dey h VAL 616 Ca 0.18 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.61 2dey h VAL 616 Cb 0.28 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 2dey h VAL 616 CO -0.37 0.07 0.26 0.00 0.02 0.00 0.00 177.57 177.55 2dey h SER 618 N 0.50 0.00 0.72 0.00 4.64 -0.61 0.11 113.55 118.91 2dey h SER 618 Ca 0.22 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.29 2dey h SER 618 Cb 0.13 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.19 2dey h SER 618 CO -0.16 0.01 -1.34 -0.07 -0.87 0.00 0.00 176.83 174.41 2dey h LEU 619 N 0.00 0.09 0.00 5.97 3.38 -0.49 -3.41 115.31 120.85 2dey h LEU 619 Ca -0.00 -0.13 -0.23 0.00 0.09 0.00 0.00 57.88 57.62 2dey h LEU 619 Cb 0.03 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 2dey h LEU 619 CO 0.00 1.10 -1.85 0.18 0.09 0.00 0.00 178.44 177.96 2dey n LEU 620 N -3.28 0.41 -0.07 1.67 4.77 -0.38 -4.61 117.00 115.50 2dey n LEU 620 Ca -0.09 -0.01 -0.00 0.00 -0.03 0.00 0.00 56.01 55.88 2dey n LEU 620 Cb 1.00 0.19 0.28 0.00 -2.33 0.00 0.00 43.42 42.55 2dey n LEU 620 CO 0.47 0.37 1.04 -0.33 -1.33 0.00 0.00 177.39 177.61 2dey h GLU 621 N 0.00 0.70 0.00 3.23 5.08 -0.94 -0.35 114.58 122.30 2dey h GLU 621 Ca -0.34 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2dey h GLU 621 Cb 1.73 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.86 2dey h GLU 621 CO 0.01 0.59 0.02 -2.30 -1.00 0.00 0.00 179.01 176.33 2dey n PRO 622 N -4.34 0.00 -0.21 2.33 -0.02 -1.26 0.39 135.00 131.89 2dey n PRO 622 Ca 0.04 0.47 0.12 0.00 -2.02 0.00 0.00 63.50 62.11 2dey n PRO 622 Cb 0.17 -1.52 0.24 0.00 -0.02 0.00 0.00 33.50 32.37 2dey n PRO 622 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2dey n LEU 623 N -1.47 3.43 -1.16 2.45 4.77 -0.15 -4.97 117.00 119.90 2dey n LEU 623 Ca 0.00 -1.52 -0.11 0.00 -0.03 0.00 0.00 56.01 54.36 2dey n LEU 623 Cb 0.02 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 40.82 2dey n LEU 623 CO 0.00 0.76 -0.13 0.61 -1.33 0.00 0.00 177.39 177.30 2dey n GLY 624 N 1.51 0.10 3.85 -0.72 0.00 0.16 -4.46 105.19 105.63 2dey n GLY 624 Ca 0.20 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 2dey n GLY 624 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dey s LEU 625 N -2.98 4.36 -0.27 0.99 1.02 -1.18 -4.81 118.68 115.80 2dey s LEU 625 Ca 0.00 0.97 -0.05 0.00 0.02 0.00 0.00 54.13 55.08 2dey s LEU 625 Cb 0.00 -3.11 0.01 0.00 0.02 0.00 0.00 46.19 43.11 2dey s LEU 625 CO 0.00 0.15 0.01 -1.58 0.02 0.00 0.00 176.35 174.95 2dey s GLN 626 N -1.86 3.06 -0.34 1.70 0.74 0.27 -4.12 119.66 119.11 2dey s GLN 626 Ca 0.35 -0.85 -0.16 0.00 0.05 0.00 0.00 55.36 54.74 2dey s GLN 626 Cb -0.15 -3.18 -0.01 0.00 1.10 0.00 0.00 33.01 30.77 2dey s GLN 626 CO 0.18 -0.38 0.42 0.00 -0.55 0.00 0.00 175.29 174.96 2dey s THR 628 N 2.17 4.57 -0.42 0.00 2.01 -0.67 -5.00 115.64 118.31 2dey s THR 628 Ca 0.15 -0.11 -0.14 0.00 0.31 0.00 0.00 61.69 61.89 2dey s THR 628 Cb -0.16 -3.05 0.04 0.00 0.01 0.00 0.00 72.50 69.34 2dey s THR 628 CO 0.12 0.47 0.30 -0.36 -0.69 0.00 0.00 174.62 174.46 2dey s PHE 629 N 0.37 3.25 -0.22 4.92 0.40 -1.26 -0.13 117.98 125.31 2dey s PHE 629 Ca 0.01 -0.77 -0.14 0.00 -0.60 0.00 0.00 56.93 55.43 2dey s PHE 629 Cb -0.13 -2.71 -0.04 0.00 0.51 0.00 0.00 43.02 40.65 2dey s PHE 629 CO 0.01 -0.66 0.33 0.42 0.70 0.00 0.00 175.22 176.02 2dey s ILE 630 N 1.64 5.24 -0.42 0.64 1.01 0.90 -4.61 121.20 125.60 2dey s ILE 630 Ca 0.04 0.54 -0.28 0.00 0.00 0.00 0.00 60.65 60.96 2dey s ILE 630 Cb -0.20 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 2dey s ILE 630 CO 0.08 0.26 1.87 0.21 0.00 0.00 0.00 174.94 177.36 2dey s ASN 631 N 1.15 5.60 -0.11 3.58 2.47 -1.26 -0.94 114.94 125.42 2dey s ASN 631 Ca 0.15 1.03 0.15 0.00 0.42 0.00 0.00 52.86 54.61 2dey s ASN 631 Cb -0.15 -2.52 0.31 0.00 -1.45 0.00 0.00 41.25 37.44 2dey s ASN 631 CO 0.07 -1.99 1.21 -0.90 -3.72 0.00 0.00 177.10 171.77 2dey n ASP 632 N 11.43 2.76 0.23 -4.21 3.85 -1.26 -4.51 116.55 124.84 2dey n ASP 632 Ca 0.23 -2.83 -0.14 0.00 -0.71 0.00 0.00 54.79 51.35 2dey n ASP 632 Cb 0.49 -0.38 -0.08 0.00 -1.35 0.00 0.00 41.12 39.80 2dey n ASP 632 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 2dey h PHE 633 N 0.64 -0.57 0.00 2.11 3.04 -1.91 0.29 116.94 120.55 2dey h PHE 633 Ca 0.00 -0.01 -0.21 0.00 3.98 0.00 0.00 57.97 61.72 2dey h PHE 633 Cb 1.03 0.19 -0.03 0.00 2.56 0.00 0.00 35.95 39.69 2dey h PHE 633 CO 0.15 -0.24 -1.25 0.74 -2.02 0.00 0.00 178.31 175.69 2dey h PHE 634 N -0.93 0.00 -0.01 0.41 -1.00 -1.97 -1.77 116.94 111.67 2dey h PHE 634 Ca -0.06 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.57 2dey h PHE 634 Cb 0.58 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.15 2dey h PHE 634 CO 0.01 0.83 -0.57 0.00 -1.61 0.00 0.00 178.31 176.97 2dey h THR 635 N 0.00 1.43 0.00 -1.55 1.03 -1.93 -3.42 112.91 108.47 2dey h THR 635 Ca -0.13 -2.05 -0.01 0.00 -0.01 0.00 0.00 66.41 64.20 2dey h THR 635 Cb 1.75 2.57 -0.00 0.00 -1.07 0.00 0.00 68.15 71.40 2dey h THR 635 CO 0.09 0.60 -0.41 -1.22 -0.01 0.00 0.00 175.52 174.56 2dey n TYR 636 N -4.24 0.00 0.02 0.00 4.02 0.76 -4.70 117.16 113.03 2dey n TYR 636 Ca -0.10 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.68 2dey n TYR 636 Cb 0.66 -0.06 -0.04 0.00 -0.02 0.00 0.00 39.34 39.87 2dey n TYR 636 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 2dey h HIS 637 N -0.10 -0.84 0.00 -0.72 2.76 -0.52 0.01 115.15 115.74 2dey h HIS 637 Ca -0.02 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2dey h HIS 637 Cb 0.39 0.38 0.00 0.00 1.55 0.00 0.00 27.41 29.73 2dey h HIS 637 CO -0.03 -0.39 0.00 0.44 -1.30 0.00 0.00 177.93 176.65 2dey n ILE 638 N -5.40 0.84 -0.81 6.26 -5.35 -0.67 -0.17 119.36 114.05 2dey n ILE 638 Ca -0.04 0.21 0.07 0.00 -0.27 0.00 0.00 62.75 62.72 2dey n ILE 638 Cb 0.32 -0.94 0.39 0.00 -1.74 0.00 0.00 39.64 37.67 2dey n ILE 638 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2dey n ARG 639 N -1.45 4.67 -2.03 6.28 3.00 -0.04 -4.99 116.66 122.11 2dey n ARG 639 Ca 0.05 -3.05 -0.03 0.00 -0.01 0.00 0.00 57.85 54.81 2dey n ARG 639 Cb 0.17 -2.21 -0.00 0.00 0.00 0.00 0.00 32.46 30.42 2dey n ARG 639 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2dey n HIS 640 N 0.68 -0.14 -3.96 -1.55 8.25 0.76 -5.04 115.22 114.23 2dey n HIS 640 Ca 0.27 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.63 2dey n HIS 640 Cb 1.14 -1.42 -0.03 0.00 1.12 0.00 0.00 29.99 30.80 2dey n HIS 640 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2dey s GLY 641 N -2.87 0.56 0.00 -1.41 0.00 -1.18 -4.95 107.32 97.47 2dey s GLY 641 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.85 2dey s GLY 641 CO 0.00 -0.55 0.00 1.18 0.00 0.00 0.00 173.10 173.73 2dey n GLU 642 N -0.45 1.58 -0.05 2.90 -0.58 -1.26 -2.57 120.64 120.21 2dey n GLU 642 Ca -0.03 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.58 2dey n GLU 642 Cb 0.61 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.40 2dey n GLU 642 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2dey h VAL 643 N 0.00 1.37 0.02 2.62 2.07 -1.84 -1.73 116.25 118.76 2dey h VAL 643 Ca 0.00 -1.40 0.02 0.00 0.82 0.00 0.00 66.70 66.14 2dey h VAL 643 Cb 0.00 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 2dey h VAL 643 CO 0.00 0.41 -0.12 -0.74 0.02 0.00 0.00 177.57 177.14 2dey h HIS 644 N -0.06 -0.31 -0.80 1.57 6.17 -1.44 -2.88 115.15 117.39 2dey h HIS 644 Ca 0.01 0.01 0.17 0.00 0.71 0.00 0.00 60.37 61.27 2dey h HIS 644 Cb 0.74 0.14 -0.05 0.00 2.52 0.00 0.00 27.41 30.75 2dey h HIS 644 CO 0.09 -0.18 0.54 0.00 0.71 0.00 0.00 177.93 179.09 2dey h ALA 645 N 0.73 2.15 -0.01 5.26 0.00 -1.79 -1.88 119.26 123.72 2dey h ALA 645 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2dey h ALA 645 Cb 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2dey h ALA 645 CO -0.11 -0.38 -0.00 0.41 0.00 0.00 0.00 179.25 179.17 2dey n GLY 646 N -1.52 -0.21 3.28 0.00 0.00 -0.66 -2.48 105.19 103.60 2dey n GLY 646 Ca 0.16 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 2dey n GLY 646 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dey s THR 647 N -2.01 0.30 0.02 2.61 -4.23 -0.71 -4.05 115.64 107.58 2dey s THR 647 Ca 0.40 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.74 2dey s THR 647 Cb 0.21 -2.56 0.03 0.00 1.34 0.00 0.00 72.50 71.52 2dey s THR 647 CO 0.34 0.00 0.38 0.21 -0.54 0.00 0.00 174.62 175.01 2dey s ASN 648 N -3.28 -0.25 -0.03 3.99 3.84 -0.64 -2.45 114.94 116.11 2dey s ASN 648 Ca 0.38 0.02 0.02 0.00 0.21 0.00 0.00 52.86 53.49 2dey s ASN 648 Cb 0.07 0.39 0.01 0.00 -0.55 0.00 0.00 41.25 41.16 2dey s ASN 648 CO 0.15 -0.59 -0.07 -0.69 -2.79 0.00 0.00 177.10 173.10 2dey s VAL 649 N -2.12 0.70 -0.10 -5.21 1.01 -1.26 -0.40 120.40 113.02 2dey s VAL 649 Ca -0.08 -0.28 -0.19 0.00 0.00 0.00 0.00 61.98 61.43 2dey s VAL 649 Cb -0.02 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 2dey s VAL 649 CO -0.00 0.24 0.52 -0.60 0.00 0.00 0.00 175.10 175.26 2dey s ARG 650 N 0.46 4.35 0.22 2.72 3.52 -0.11 -4.68 118.95 125.42 2dey s ARG 650 Ca -0.07 0.54 0.08 0.00 -0.13 0.00 0.00 55.73 56.15 2dey s ARG 650 Cb -0.11 -3.43 -0.05 0.00 -1.56 0.00 0.00 34.95 29.80 2dey s ARG 650 CO 0.01 0.16 -0.13 1.03 -0.81 0.00 0.00 175.30 175.55 2dey s ARG 651 N 0.60 1.39 0.07 5.12 0.52 -1.26 -0.06 118.95 125.33 2dey s ARG 651 Ca 0.28 -1.64 -0.31 0.00 -0.52 0.00 0.00 55.73 53.55 2dey s ARG 651 Cb -0.16 -1.15 -0.08 0.00 0.52 0.00 0.00 34.95 34.09 2dey s ARG 651 CO 0.12 0.16 1.56 0.21 0.02 0.00 0.00 175.30 177.37 2dey s LYS 652 N -3.66 4.23 0.50 3.54 2.20 -0.21 -4.85 119.74 121.49 2dey s LYS 652 Ca 0.24 2.23 -0.20 0.00 -0.36 0.00 0.00 55.97 57.89 2dey s LYS 652 Cb 0.00 -3.49 -0.11 0.00 -1.51 0.00 0.00 37.83 32.72 2dey s LYS 652 CO 0.08 -0.65 0.39 -2.30 -0.36 0.00 0.00 175.35 172.51 2dey n PRO 653 N 5.12 0.41 -1.80 4.03 -0.02 -1.26 -4.66 135.00 136.83 2dey n PRO 653 Ca 0.14 0.16 -0.40 0.00 -2.02 0.00 0.00 63.50 61.38 2dey n PRO 653 Cb 0.41 -1.47 0.01 0.00 -0.02 0.00 0.00 33.50 32.43 2dey n PRO 653 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2dey s PHE 654 N -1.69 2.50 0.25 6.00 0.40 -1.26 -4.91 117.98 119.27 2dey s PHE 654 Ca 0.64 1.24 -0.04 0.00 -0.60 0.00 0.00 56.93 58.17 2dey s PHE 654 Cb -0.51 -3.95 0.29 0.00 0.51 0.00 0.00 43.02 39.36 2dey s PHE 654 CO 0.58 -2.94 1.83 0.77 0.70 0.00 0.00 175.22 176.16 2dey h SER 655 N 2.51 0.96 -2.93 1.36 0.02 -1.97 -3.44 113.55 110.07 2dey h SER 655 Ca -0.51 -0.14 -0.52 0.00 -0.84 0.00 0.00 61.79 59.78 2dey h SER 655 Cb 1.26 -0.25 0.04 0.00 0.14 0.00 0.00 62.40 63.59 2dey h SER 655 CO 0.62 0.85 0.85 0.12 -1.14 0.00 0.00 176.83 178.13 2dey s PHE 656 N -5.49 3.06 -0.12 3.45 5.36 -1.26 -4.95 117.98 118.03 2dey s PHE 656 Ca -0.11 0.71 -0.26 0.00 -0.96 0.00 0.00 56.93 56.31 2dey s PHE 656 Cb 0.16 -3.90 -0.02 0.00 -0.34 0.00 0.00 43.02 38.92 2dey s PHE 656 CO 0.82 -3.25 0.84 0.15 -1.46 0.00 0.00 175.22 172.32 2dey s LYS 657 N 0.87 4.38 0.41 10.12 -0.14 -1.26 -4.94 119.74 129.17 2dey s LYS 657 Ca 0.68 1.08 0.14 0.00 -1.36 0.00 0.00 55.97 56.51 2dey s LYS 657 Cb -0.43 -3.53 0.99 0.00 -1.68 0.00 0.00 37.83 33.18 2dey s LYS 657 CO 0.33 -0.20 1.91 0.11 -0.76 0.00 0.00 175.35 176.74 2dey h TRP 658 N 7.10 0.57 0.00 3.18 5.08 -1.92 -0.16 115.95 129.80 2dey h TRP 658 Ca -0.34 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.65 2dey h TRP 658 Cb 1.16 -0.18 0.00 0.00 -3.00 0.00 0.00 29.16 27.14 2dey h TRP 658 CO 0.70 0.22 0.00 0.11 -1.28 0.00 0.00 178.44 178.18 2dey h TRP 659 N 0.49 0.00 -0.06 0.12 0.09 -1.95 -1.32 115.95 113.32 2dey h TRP 659 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.37 2dey h TRP 659 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.05 2dey h TRP 659 CO -0.00 0.00 0.00 0.09 0.09 0.00 0.00 178.44 178.62 2dey n ASN 660 N -2.75 0.48 -4.90 0.11 3.02 -0.07 -1.13 115.26 110.01 2dey n ASN 660 Ca 0.00 -1.60 -0.28 0.00 -0.03 0.00 0.00 54.58 52.68 2dey n ASN 660 Cb 0.22 -0.04 -0.00 0.00 -0.61 0.00 0.00 39.78 39.36 2dey n ASN 660 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2dey s MET 661 N -1.93 3.57 -0.67 3.52 1.75 -0.50 -3.98 119.30 121.07 2dey s MET 661 Ca 0.25 0.29 0.05 0.00 -1.25 0.00 0.00 55.69 55.03 2dey s MET 661 Cb 0.12 -2.35 0.19 0.00 2.84 0.00 0.00 34.83 35.63 2dey s MET 661 CO 0.19 -0.23 0.53 1.33 -0.65 0.00 0.00 175.02 176.20 2dey n VAL 662 N -2.21 1.48 0.34 10.11 0.24 -1.26 -2.94 118.33 124.09 2dey n VAL 662 Ca 0.01 -4.80 0.03 0.00 -2.04 0.00 0.00 64.34 57.54 2dey n VAL 662 Cb 0.55 -2.12 0.16 0.00 -1.47 0.00 0.00 33.84 30.95 2dey n VAL 662 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88