#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i6m n HIS 3 N 0.00 -0.09 -4.09 1.24 8.25 -1.26 -5.17 115.22 114.10 3i6m n HIS 3 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 3i6m n HIS 3 Cb 0.00 0.02 -0.11 0.00 1.12 0.00 0.00 29.99 31.03 3i6m n HIS 3 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3i6m s SER 4 N -1.55 0.80 0.38 0.41 0.15 -1.26 -5.04 113.70 107.60 3i6m s SER 4 Ca 0.00 -0.78 0.12 0.00 0.70 0.00 0.00 55.95 55.99 3i6m s SER 4 Cb 0.00 0.09 0.77 0.00 -1.71 0.00 0.00 66.02 65.17 3i6m s SER 4 CO 0.00 -0.38 1.87 -0.08 1.20 0.00 0.00 173.24 175.85 3i6m h GLU 5 N 3.76 0.08 -0.14 5.44 4.81 -2.02 -2.59 114.58 123.91 3i6m h GLU 5 Ca -0.35 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 3i6m h GLU 5 Cb 1.18 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3i6m h GLU 5 CO 0.53 0.36 0.00 1.28 -0.73 0.00 0.00 179.01 180.45 3i6m n LEU 6 N -4.18 1.75 -4.31 1.64 4.77 -1.26 -4.81 117.00 110.61 3i6m n LEU 6 Ca -0.02 -0.70 -0.34 0.00 -0.03 0.00 0.00 56.01 54.92 3i6m n LEU 6 Cb 0.35 -0.09 -0.14 0.00 -2.33 0.00 0.00 43.42 41.21 3i6m n LEU 6 CO 0.38 0.35 -0.43 -0.22 -1.33 0.00 0.00 177.39 176.14 3i6m s LEU 7 N -1.67 2.71 -0.04 2.23 2.96 -0.98 0.13 118.68 124.02 3i6m s LEU 7 Ca 0.34 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 3i6m s LEU 7 Cb 0.19 -1.65 0.01 0.00 0.50 0.00 0.00 46.19 45.24 3i6m s LEU 7 CO 0.28 0.06 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.58 3i6m s VAL 8 N 0.96 0.93 -0.30 1.68 1.01 -0.47 -4.66 120.40 119.55 3i6m s VAL 8 Ca -0.01 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.44 3i6m s VAL 8 Cb -0.15 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 3i6m s VAL 8 CO -0.01 0.30 0.23 0.21 0.00 0.00 0.00 175.10 175.83 3i6m s ASN 9 N 0.43 6.06 0.44 3.32 2.47 -1.26 -0.46 114.94 125.94 3i6m s ASN 9 Ca -0.08 -0.14 0.07 0.00 0.42 0.00 0.00 52.86 53.12 3i6m s ASN 9 Cb -0.12 -2.14 -0.02 0.00 -1.45 0.00 0.00 41.25 37.52 3i6m s ASN 9 CO 0.02 -0.14 0.26 0.42 -3.72 0.00 0.00 177.10 173.94 3i6m s THR 10 N 1.79 2.21 -0.94 -5.21 -4.23 0.11 -4.90 115.64 104.47 3i6m s THR 10 Ca 0.08 -1.58 0.10 0.00 -1.18 0.00 0.00 61.69 59.10 3i6m s THR 10 Cb -0.16 -2.79 0.09 0.00 1.34 0.00 0.00 72.50 70.97 3i6m s THR 10 CO 0.11 0.00 1.31 0.29 -0.54 0.00 0.00 174.62 175.79 3i6m n LYS 11 N -1.42 0.02 -0.00 3.99 5.02 -1.26 -1.66 118.16 122.85 3i6m n LYS 11 Ca -0.01 0.37 0.09 0.00 -2.02 0.00 0.00 58.31 56.74 3i6m n LYS 11 Cb 0.64 -1.54 -0.12 0.00 -0.02 0.00 0.00 35.03 33.99 3i6m n LYS 11 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3i6m n SER 12 N -1.57 0.76 0.00 4.39 7.64 -1.26 -4.89 113.62 118.69 3i6m n SER 12 Ca 0.02 -0.61 0.00 0.00 1.01 0.00 0.00 58.87 59.29 3i6m n SER 12 Cb 0.11 1.32 0.00 0.00 -1.01 0.00 0.00 64.21 64.62 3i6m n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i6m n GLY 13 N 1.43 0.72 3.83 0.23 0.00 -0.66 -0.70 105.19 110.04 3i6m n GLY 13 Ca 0.01 -1.89 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 3i6m n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i6m s LYS 14 N -1.25 4.13 -0.01 1.61 1.02 -1.25 -0.72 119.74 123.27 3i6m s LYS 14 Ca 0.00 0.79 0.02 0.00 0.02 0.00 0.00 55.97 56.80 3i6m s LYS 14 Cb 0.00 -2.61 -0.00 0.00 -0.52 0.00 0.00 37.83 34.70 3i6m s LYS 14 CO 0.00 0.24 -0.08 0.08 -0.92 0.00 0.00 175.35 174.67 3i6m s VAL 15 N -1.80 0.65 -0.22 3.17 1.01 0.39 -0.24 120.40 123.35 3i6m s VAL 15 Ca 0.50 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 3i6m s VAL 15 Cb -0.13 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.71 3i6m s VAL 15 CO 0.19 0.19 -0.09 -0.32 0.00 0.00 0.00 175.10 175.06 3i6m s MET 16 N -0.14 3.04 0.00 2.72 1.75 0.14 -1.37 119.30 125.43 3i6m s MET 16 Ca 0.02 -0.83 0.00 0.00 -1.25 0.00 0.00 55.69 53.63 3i6m s MET 16 Cb -0.04 -2.88 0.00 0.00 2.84 0.00 0.00 34.83 34.76 3i6m s MET 16 CO -0.00 -0.29 0.00 0.41 -0.65 0.00 0.00 175.02 174.49 3i6m n GLY 17 N 4.69 0.59 2.97 2.11 0.00 0.12 0.26 105.19 115.94 3i6m n GLY 17 Ca -0.18 -1.85 -0.10 0.00 0.00 0.00 0.00 46.02 43.89 3i6m n GLY 17 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i6m s THR 18 N 0.87 0.08 0.00 2.61 -1.32 -0.14 -4.67 115.64 113.08 3i6m s THR 18 Ca 0.00 -0.67 -0.23 0.00 -1.21 0.00 0.00 61.69 59.58 3i6m s THR 18 Cb 0.00 -0.23 -0.05 0.00 -1.51 0.00 0.00 72.50 70.71 3i6m s THR 18 CO 0.00 -0.37 0.70 -0.60 -2.21 0.00 0.00 174.62 172.14 3i6m s ARG 19 N -1.10 4.43 -0.04 7.08 3.52 -1.26 -0.64 118.95 130.93 3i6m s ARG 19 Ca -0.12 0.92 0.04 0.00 -0.13 0.00 0.00 55.73 56.44 3i6m s ARG 19 Cb -0.07 -3.38 -0.00 0.00 -1.56 0.00 0.00 34.95 29.94 3i6m s ARG 19 CO -0.00 0.26 -0.17 0.08 -0.81 0.00 0.00 175.30 174.65 3i6m s VAL 20 N 0.09 1.44 0.35 7.11 1.01 0.83 -4.95 120.40 126.29 3i6m s VAL 20 Ca 0.36 -0.73 -0.27 0.00 0.00 0.00 0.00 61.98 61.34 3i6m s VAL 20 Cb -0.19 -1.23 -0.09 0.00 0.00 0.00 0.00 36.38 34.86 3i6m s VAL 20 CO 0.20 0.41 1.16 -2.84 0.00 0.00 0.00 175.10 174.03 3i6m s PRO 21 N -0.00 4.29 -0.23 2.72 0.02 -1.26 -1.32 135.00 139.22 3i6m s PRO 21 Ca -0.03 1.85 -0.05 0.00 0.02 0.00 0.00 61.00 62.79 3i6m s PRO 21 Cb -0.11 -2.87 0.11 0.00 0.02 0.00 0.00 34.50 31.65 3i6m s PRO 21 CO 0.02 -0.12 0.43 0.08 -0.33 0.00 0.00 177.00 177.08 3i6m s VAL 22 N -1.32 -0.68 -1.35 3.83 1.01 0.24 -4.91 120.40 117.22 3i6m s VAL 22 Ca 0.52 0.07 -0.10 0.00 0.00 0.00 0.00 61.98 62.47 3i6m s VAL 22 Cb -0.31 -0.76 0.01 0.00 0.00 0.00 0.00 36.38 35.32 3i6m s VAL 22 CO 0.40 -0.00 0.19 0.18 0.00 0.00 0.00 175.10 175.88 3i6m n LEU 23 N 5.39 -0.65 0.00 3.92 4.77 -1.26 -0.06 117.00 129.11 3i6m n LEU 23 Ca -0.07 -1.21 0.00 0.00 -0.03 0.00 0.00 56.01 54.71 3i6m n LEU 23 Cb 0.50 -1.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.11 3i6m n LEU 23 CO 0.02 0.54 0.00 -1.20 -1.33 0.00 0.00 177.39 175.42 3i6m n SER 24 N -2.44 -1.52 -0.02 -1.43 7.64 -1.26 -4.97 113.62 109.62 3i6m n SER 24 Ca -0.24 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.64 3i6m n SER 24 Cb 0.61 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 3i6m n SER 24 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 3i6m n SER 25 N -0.05 0.88 -3.70 6.43 2.88 0.92 -5.18 113.62 115.80 3i6m n SER 25 Ca 0.00 -0.01 -0.10 0.00 -1.33 0.00 0.00 58.87 57.43 3i6m n SER 25 Cb 0.03 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.43 3i6m n SER 25 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 3i6m s HIS 26 N -0.14 -0.10 0.28 0.66 3.76 -1.26 -0.59 115.29 117.91 3i6m s HIS 26 Ca 0.00 -0.25 -0.11 0.00 -0.15 0.00 0.00 55.06 54.55 3i6m s HIS 26 Cb 0.00 0.16 0.00 0.00 1.11 0.00 0.00 32.58 33.86 3i6m s HIS 26 CO 0.00 -0.65 0.51 0.96 -0.85 0.00 0.00 174.74 174.71 3i6m s ILE 27 N -3.80 0.00 0.02 0.60 -4.36 -0.43 -4.43 121.20 108.80 3i6m s ILE 27 Ca 0.03 -1.41 -0.04 0.00 -0.26 0.00 0.00 60.65 58.97 3i6m s ILE 27 Cb 0.03 -2.38 -0.05 0.00 1.25 0.00 0.00 42.46 41.31 3i6m s ILE 27 CO -0.12 0.00 0.25 -0.44 0.24 0.00 0.00 174.94 174.87 3i6m s SER 28 N -3.07 6.44 -0.05 4.36 0.01 -0.39 -0.12 113.70 120.87 3i6m s SER 28 Ca 0.24 0.46 0.02 0.00 1.31 0.00 0.00 55.95 57.97 3i6m s SER 28 Cb -0.01 -2.05 0.02 0.00 0.21 0.00 0.00 66.02 64.19 3i6m s SER 28 CO 0.12 0.23 -0.07 0.00 0.41 0.00 0.00 173.24 173.93 3i6m s ALA 29 N -1.37 0.84 -0.34 1.44 0.00 0.19 -0.50 121.76 122.02 3i6m s ALA 29 Ca 0.30 -0.16 0.03 0.00 0.00 0.00 0.00 51.96 52.12 3i6m s ALA 29 Cb -0.13 -0.45 0.09 0.00 0.00 0.00 0.00 23.12 22.64 3i6m s ALA 29 CO 0.19 0.04 0.05 -0.06 0.00 0.00 0.00 175.76 175.98 3i6m s PHE 30 N 0.78 3.65 -0.01 0.00 0.40 0.41 -0.96 117.98 122.26 3i6m s PHE 30 Ca -0.12 -2.78 0.00 0.00 -0.60 0.00 0.00 56.93 53.43 3i6m s PHE 30 Cb -0.14 -2.80 -0.04 0.00 0.51 0.00 0.00 43.02 40.54 3i6m s PHE 30 CO 0.01 -0.94 0.04 -0.51 0.70 0.00 0.00 175.22 174.52 3i6m s LEU 31 N 0.98 3.70 -0.74 -0.37 1.43 0.15 -0.68 118.68 123.14 3i6m s LEU 31 Ca 0.07 0.07 -0.04 0.00 -1.03 0.00 0.00 54.13 53.21 3i6m s LEU 31 Cb -0.20 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 43.90 3i6m s LEU 31 CO -0.07 0.28 0.64 0.61 0.23 0.00 0.00 176.35 178.05 3i6m n GLY 32 N 1.33 0.08 3.70 -3.19 0.00 -1.07 -4.05 105.19 101.99 3i6m n GLY 32 Ca -0.14 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 3i6m n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i6m s ILE 33 N -3.18 4.96 0.22 -0.61 1.01 -0.11 -4.81 121.20 118.68 3i6m s ILE 33 Ca 0.25 1.64 -0.30 0.00 0.00 0.00 0.00 60.65 62.24 3i6m s ILE 33 Cb -0.11 -4.13 -0.08 0.00 0.01 0.00 0.00 42.46 38.14 3i6m s ILE 33 CO 0.41 0.16 1.09 -2.16 0.00 0.00 0.00 174.94 174.44 3i6m s PRO 34 N 1.26 4.63 0.00 2.79 0.04 -1.26 -0.75 135.00 141.70 3i6m s PRO 34 Ca 0.41 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.18 3i6m s PRO 34 Cb -0.18 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.11 3i6m s PRO 34 CO 0.19 0.16 0.24 1.97 0.04 0.00 0.00 177.00 179.60 3i6m n PHE 35 N 1.88 0.00 -3.90 0.56 1.16 -1.15 -4.90 117.46 111.11 3i6m n PHE 35 Ca 0.01 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.50 3i6m n PHE 35 Cb 0.46 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.26 3i6m n PHE 35 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3i6m s ALA 36 N -0.32 -0.13 0.33 1.98 0.00 -1.26 -3.32 121.76 119.05 3i6m s ALA 36 Ca 0.00 -0.73 -0.27 0.00 0.00 0.00 0.00 51.96 50.95 3i6m s ALA 36 Cb 0.00 0.67 -0.09 0.00 0.00 0.00 0.00 23.12 23.70 3i6m s ALA 36 CO 0.00 -0.58 1.10 -1.21 0.00 0.00 0.00 175.76 175.07 3i6m s GLU 37 N -3.91 4.41 -0.11 0.00 0.41 0.63 -4.45 118.70 115.68 3i6m s GLU 37 Ca 0.11 1.73 -0.37 0.00 -0.41 0.00 0.00 54.97 56.03 3i6m s GLU 37 Cb 0.04 -2.92 -0.15 0.00 -1.78 0.00 0.00 34.13 29.32 3i6m s GLU 37 CO -0.06 0.02 1.67 -2.30 -0.49 0.00 0.00 175.26 174.11 3i6m n PRO 38 N 0.65 1.49 -1.45 0.39 -0.02 -1.26 -4.66 135.00 130.14 3i6m n PRO 38 Ca 0.01 0.54 -0.39 0.00 -2.02 0.00 0.00 63.50 61.65 3i6m n PRO 38 Cb 0.46 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 3i6m n PRO 38 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3i6m n PRO 39 N 4.87 3.88 -4.09 0.52 -0.04 -1.26 -4.91 135.00 133.97 3i6m n PRO 39 Ca 0.23 -2.45 -0.23 0.00 -0.04 0.00 0.00 63.50 61.01 3i6m n PRO 39 Cb 0.20 -2.75 -0.06 0.00 -0.04 0.00 0.00 33.50 30.84 3i6m n PRO 39 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3i6m s VAL 40 N 1.45 3.12 0.00 0.52 -7.23 -1.26 -3.65 120.40 113.35 3i6m s VAL 40 Ca 0.67 -1.67 0.00 0.00 -1.81 0.00 0.00 61.98 59.16 3i6m s VAL 40 Cb 0.18 -3.00 0.00 0.00 0.56 0.00 0.00 36.38 34.13 3i6m s VAL 40 CO -0.07 -0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.14 3i6m n GLY 41 N -1.15 3.30 0.00 2.32 0.00 -1.26 -1.57 105.19 106.82 3i6m n GLY 41 Ca -0.03 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 45.92 3i6m n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i6m n ASN 42 N 6.95 0.00 -0.14 1.61 4.13 -1.26 -1.87 115.26 124.69 3i6m n ASN 42 Ca 0.00 0.40 0.13 0.00 1.68 0.00 0.00 54.58 56.79 3i6m n ASN 42 Cb 0.00 -0.45 0.39 0.00 -1.54 0.00 0.00 39.78 38.18 3i6m n ASN 42 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 3i6m n MET 43 N -1.45 0.52 -1.73 3.52 2.81 -0.61 -4.80 117.12 115.38 3i6m n MET 43 Ca 0.04 -0.28 -0.42 0.00 -1.81 0.00 0.00 57.70 55.23 3i6m n MET 43 Cb 0.15 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.15 3i6m n MET 43 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 3i6m n ARG 44 N -1.00 2.71 0.00 0.03 0.63 -0.78 -0.97 116.66 117.28 3i6m n ARG 44 Ca 0.10 0.97 0.00 0.00 -0.92 0.00 0.00 57.85 58.01 3i6m n ARG 44 Cb 0.33 -2.78 0.00 0.00 0.45 0.00 0.00 32.46 30.46 3i6m n ARG 44 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3i6m n PHE 45 N 3.00 0.00 -2.01 -0.14 3.72 -1.26 -4.90 117.46 115.87 3i6m n PHE 45 Ca 0.12 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.22 3i6m n PHE 45 Cb 0.36 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.90 3i6m n PHE 45 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3i6m s ARG 46 N -0.06 3.56 0.68 -1.08 0.52 -0.15 -4.25 118.95 118.17 3i6m s ARG 46 Ca 0.00 0.64 -0.17 0.00 -0.52 0.00 0.00 55.73 55.68 3i6m s ARG 46 Cb 0.00 -2.13 0.01 0.00 0.52 0.00 0.00 34.95 33.35 3i6m s ARG 46 CO 0.00 -0.52 1.27 0.54 0.02 0.00 0.00 175.30 176.61 3i6m n ARG 47 N -2.67 0.93 -2.00 3.54 1.74 -1.26 -4.91 116.66 112.03 3i6m n ARG 47 Ca 0.05 0.38 -0.33 0.00 -0.77 0.00 0.00 57.85 57.18 3i6m n ARG 47 Cb 0.54 -2.51 0.02 0.00 -1.02 0.00 0.00 32.46 29.49 3i6m n ARG 47 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3i6m s PRO 48 N -3.51 3.25 0.01 5.56 0.04 -1.26 -5.06 135.00 134.03 3i6m s PRO 48 Ca 0.81 1.21 0.06 0.00 0.04 0.00 0.00 61.00 63.11 3i6m s PRO 48 Cb -0.36 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.12 3i6m s PRO 48 CO 0.42 -0.86 -0.16 -1.21 0.04 0.00 0.00 177.00 175.23 3i6m s GLU 49 N -4.13 2.25 0.66 4.56 0.41 -1.26 -5.02 118.70 116.17 3i6m s GLU 49 Ca 0.64 -0.87 -0.17 0.00 -0.41 0.00 0.00 54.97 54.15 3i6m s GLU 49 Cb -0.16 -2.27 -0.01 0.00 -1.78 0.00 0.00 34.13 29.91 3i6m s GLU 49 CO 0.38 0.57 1.17 -2.30 -0.49 0.00 0.00 175.26 174.59 3i6m n PRO 50 N 1.83 0.93 -2.46 0.39 -0.02 -1.26 -0.27 135.00 134.13 3i6m n PRO 50 Ca -0.16 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.26 3i6m n PRO 50 Cb 0.52 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 3i6m n PRO 50 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3i6m s LYS 51 N -3.27 4.37 0.27 -0.52 2.47 -1.21 -3.92 119.74 117.92 3i6m s LYS 51 Ca 0.80 1.67 -0.31 0.00 -1.56 0.00 0.00 55.97 56.57 3i6m s LYS 51 Cb -0.38 -3.53 -0.12 0.00 -1.46 0.00 0.00 37.83 32.34 3i6m s LYS 51 CO 0.43 -0.42 1.65 1.63 0.16 0.00 0.00 175.35 178.80 3i6m n LYS 52 N 5.04 2.75 -1.31 4.03 5.02 -1.26 -4.92 118.16 127.51 3i6m n LYS 52 Ca 0.11 0.98 -0.35 0.00 -2.02 0.00 0.00 58.31 57.03 3i6m n LYS 52 Cb 0.46 -2.79 0.10 0.00 -0.02 0.00 0.00 35.03 32.78 3i6m n LYS 52 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3i6m n PRO 53 N 2.77 0.47 -4.41 1.97 -0.02 -1.26 -5.00 135.00 129.51 3i6m n PRO 53 Ca 0.11 0.23 -0.26 0.00 -2.02 0.00 0.00 63.50 61.55 3i6m n PRO 53 Cb 0.36 -2.37 -0.12 0.00 -0.02 0.00 0.00 33.50 31.36 3i6m n PRO 53 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 3i6m s TRP 54 N -1.87 2.25 0.47 6.00 -2.14 0.13 -5.01 118.94 118.76 3i6m s TRP 54 Ca 0.75 -0.37 -0.04 0.00 2.66 0.00 0.00 56.10 59.10 3i6m s TRP 54 Cb -0.33 -1.11 -0.03 0.00 -3.10 0.00 0.00 33.47 28.91 3i6m s TRP 54 CO 0.49 0.49 0.76 -1.12 -2.66 0.00 0.00 176.95 174.91 3i6m s SER 55 N -2.69 6.15 0.16 -2.66 0.01 -1.26 -4.52 113.70 108.88 3i6m s SER 55 Ca 0.20 0.78 0.00 0.00 1.31 0.00 0.00 55.95 58.25 3i6m s SER 55 Cb -0.08 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 64.06 3i6m s SER 55 CO 0.10 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.74 3i6m n GLY 56 N -2.22 -1.95 3.57 3.44 0.00 -1.26 -4.83 105.19 101.93 3i6m n GLY 56 Ca 0.00 -1.37 -0.36 0.00 0.00 0.00 0.00 46.02 44.29 3i6m n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i6m s VAL 57 N -0.21 4.81 -0.11 1.61 1.01 -1.26 -3.84 120.40 122.40 3i6m s VAL 57 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.67 3i6m s VAL 57 Cb 0.00 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 3i6m s VAL 57 CO 0.00 0.37 1.01 0.86 0.00 0.00 0.00 175.10 177.34 3i6m s TRP 58 N 1.13 3.50 -0.64 5.22 -0.11 0.66 -4.87 118.94 123.83 3i6m s TRP 58 Ca 0.05 1.58 -0.27 0.00 1.22 0.00 0.00 56.10 58.68 3i6m s TRP 58 Cb -0.14 -3.20 0.02 0.00 -1.50 0.00 0.00 33.47 28.65 3i6m s TRP 58 CO 0.04 -0.27 1.39 1.21 -4.62 0.00 0.00 176.95 174.70 3i6m s ASN 59 N 1.11 6.07 -0.68 5.86 3.84 -1.26 0.23 114.94 130.12 3i6m s ASN 59 Ca 0.48 -0.02 0.01 0.00 0.21 0.00 0.00 52.86 53.54 3i6m s ASN 59 Cb -0.18 -2.55 0.38 0.00 -0.55 0.00 0.00 41.25 38.34 3i6m s ASN 59 CO 0.18 -1.82 1.63 0.00 -2.79 0.00 0.00 177.10 174.30 3i6m n ALA 60 N 9.75 5.90 0.67 1.71 0.00 0.14 -4.63 120.51 134.04 3i6m n ALA 60 Ca 0.09 -4.22 0.09 0.00 0.00 0.00 0.00 53.44 49.40 3i6m n ALA 60 Cb 0.49 -1.38 -0.12 0.00 0.00 0.00 0.00 19.45 18.45 3i6m n ALA 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i6m n SER 61 N -0.51 0.82 -4.10 0.00 3.41 -1.24 -0.68 113.62 111.32 3i6m n SER 61 Ca 0.47 -0.72 -0.13 0.00 -0.26 0.00 0.00 58.87 58.24 3i6m n SER 61 Cb 0.41 1.20 -0.11 0.00 -0.26 0.00 0.00 64.21 65.46 3i6m n SER 61 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3i6m s THR 62 N -2.89 0.63 0.61 6.66 -4.23 -1.26 -4.85 115.64 110.31 3i6m s THR 62 Ca 0.04 -1.37 -0.18 0.00 -1.18 0.00 0.00 61.69 59.00 3i6m s THR 62 Cb 0.14 -0.98 -0.04 0.00 1.34 0.00 0.00 72.50 72.96 3i6m s THR 62 CO 0.77 -0.53 1.06 -1.22 -0.54 0.00 0.00 174.62 174.16 3i6m n TYR 63 N 0.97 1.14 -2.21 3.99 4.01 -1.26 -3.92 117.16 119.89 3i6m n TYR 63 Ca -0.19 0.43 -0.27 0.00 -0.16 0.00 0.00 57.90 57.70 3i6m n TYR 63 Cb 0.57 -2.18 0.17 0.00 -0.31 0.00 0.00 39.34 37.59 3i6m n TYR 63 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3i6m s PRO 64 N -2.92 0.87 0.86 -0.72 0.04 -1.26 -4.87 135.00 127.00 3i6m s PRO 64 Ca 0.78 -0.79 -0.11 0.00 0.04 0.00 0.00 61.00 60.91 3i6m s PRO 64 Cb -0.41 -2.03 0.11 0.00 0.04 0.00 0.00 34.50 32.21 3i6m s PRO 64 CO 0.45 -2.15 1.09 -0.80 0.04 0.00 0.00 177.00 175.63 3i6m s ASN 65 N -4.88 3.80 0.13 6.66 0.01 -1.26 -4.82 114.94 114.57 3i6m s ASN 65 Ca 0.73 1.52 0.03 0.00 -0.71 0.00 0.00 52.86 54.43 3i6m s ASN 65 Cb -0.03 -2.21 -0.04 0.00 0.41 0.00 0.00 41.25 39.38 3i6m s ASN 65 CO 0.50 -2.44 0.17 0.20 -1.51 0.00 0.00 177.10 174.02 3i6m s ASN 66 N -3.49 5.81 0.74 -1.22 0.02 -0.59 -4.82 114.94 111.40 3i6m s ASN 66 Ca 0.63 0.02 -0.13 0.00 -1.02 0.00 0.00 52.86 52.35 3i6m s ASN 66 Cb -0.17 -1.62 0.05 0.00 0.02 0.00 0.00 41.25 39.52 3i6m s ASN 66 CO 0.56 0.10 1.14 0.00 0.02 0.00 0.00 177.10 178.93 3i6m s GLN 68 N -4.30 4.17 0.15 0.00 -1.52 -1.21 -4.59 119.66 112.37 3i6m s GLN 68 Ca 0.68 2.47 -0.22 0.00 -1.95 0.00 0.00 55.36 56.34 3i6m s GLN 68 Cb -0.23 -3.11 0.07 0.00 -0.22 0.00 0.00 33.01 29.52 3i6m s GLN 68 CO 0.48 -0.66 0.58 1.14 -0.25 0.00 0.00 175.29 176.58 3i6m s GLN 69 N 0.95 1.24 0.29 2.91 -2.07 -1.26 -4.68 119.66 117.04 3i6m s GLN 69 Ca 0.71 -0.46 -0.30 0.00 -1.82 0.00 0.00 55.36 53.49 3i6m s GLN 69 Cb -0.46 0.57 -0.11 0.00 -1.09 0.00 0.00 33.01 31.92 3i6m s GLN 69 CO 0.33 -0.53 1.52 -0.47 -1.32 0.00 0.00 175.29 174.82 3i6m s TYR 70 N -3.63 2.83 -0.14 9.60 5.04 -1.25 -5.00 117.35 124.80 3i6m s TYR 70 Ca 0.01 0.94 -0.03 0.00 -2.44 0.00 0.00 57.07 55.55 3i6m s TYR 70 Cb -0.01 -3.96 -0.03 0.00 0.35 0.00 0.00 41.96 38.31 3i6m s TYR 70 CO -0.12 -3.13 -0.06 0.08 -1.34 0.00 0.00 175.55 170.98 3i6m s VAL 71 N -0.21 3.72 -0.10 3.14 1.01 -1.26 -4.89 120.40 121.81 3i6m s VAL 71 Ca 0.60 -0.43 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 3i6m s VAL 71 Cb -0.45 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 3i6m s VAL 71 CO 0.49 0.51 1.35 -0.62 0.00 0.00 0.00 175.10 176.82 3i6m s ASP 72 N 0.24 6.90 -0.08 3.32 2.15 -1.26 -4.89 116.67 123.04 3i6m s ASP 72 Ca -0.04 1.88 0.12 0.00 0.43 0.00 0.00 52.55 54.94 3i6m s ASP 72 Cb -0.14 -2.54 0.19 0.00 -0.30 0.00 0.00 42.92 40.12 3i6m s ASP 72 CO 0.03 -0.76 1.08 -0.62 -0.17 0.00 0.00 175.17 174.74 3i6m n GLU 73 N 6.27 1.11 -0.22 4.34 1.02 -1.26 -4.80 120.64 127.10 3i6m n GLU 73 Ca 0.14 -2.06 -0.00 0.00 -0.02 0.00 0.00 57.16 55.22 3i6m n GLU 73 Cb 0.44 -1.20 0.22 0.00 -0.02 0.00 0.00 31.44 30.89 3i6m n GLU 73 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3i6m h GLN 74 N 0.00 1.01 -2.07 3.49 1.08 -2.01 -3.32 115.11 113.29 3i6m h GLN 74 Ca 0.00 -0.08 -0.57 0.00 -1.45 0.00 0.00 58.65 56.55 3i6m h GLN 74 Cb 1.04 -0.22 -0.40 0.00 -0.05 0.00 0.00 27.48 27.85 3i6m h GLN 74 CO 0.00 0.69 -0.92 1.19 -0.95 0.00 0.00 178.83 178.84 3i6m n PHE 75 N -4.40 1.12 -1.62 2.96 3.72 -1.26 -5.11 117.46 112.88 3i6m n PHE 75 Ca 0.08 -3.78 -0.62 0.00 -0.05 0.00 0.00 57.45 53.08 3i6m n PHE 75 Cb 0.06 -0.43 -0.09 0.00 -0.94 0.00 0.00 39.48 38.08 3i6m n PHE 75 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3i6m n PRO 76 N 1.19 0.13 0.00 -1.08 -0.02 -1.25 -0.89 135.00 133.08 3i6m n PRO 76 Ca 0.24 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 3i6m n PRO 76 Cb 0.49 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 3i6m n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i6m n GLY 77 N 2.71 2.80 3.69 -1.23 0.00 -1.26 -4.99 105.19 106.91 3i6m n GLY 77 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 3i6m n GLY 77 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3i6m s PHE 78 N -2.02 2.69 0.41 1.61 5.36 -0.07 -4.90 117.98 121.05 3i6m s PHE 78 Ca 0.00 0.67 0.10 0.00 -0.96 0.00 0.00 56.93 56.74 3i6m s PHE 78 Cb 0.00 -3.74 0.86 0.00 -0.34 0.00 0.00 43.02 39.80 3i6m s PHE 78 CO 0.00 -2.83 1.97 0.66 -1.46 0.00 0.00 175.22 173.56 3i6m h SER 79 N 8.09 0.24 -0.92 6.13 4.64 -1.94 -1.56 113.55 128.23 3i6m h SER 79 Ca -0.39 -0.04 0.15 0.00 -0.47 0.00 0.00 61.79 61.05 3i6m h SER 79 Cb 1.18 -0.06 -0.09 0.00 -0.31 0.00 0.00 62.40 63.11 3i6m h SER 79 CO 0.91 0.33 0.52 1.23 -0.87 0.00 0.00 176.83 178.96 3i6m h GLY 80 N 0.61 1.54 0.17 -0.77 0.00 -1.94 -0.89 103.07 101.79 3i6m h GLY 80 Ca 0.06 -0.32 -0.36 0.00 0.00 0.00 0.00 47.33 46.71 3i6m h GLY 80 CO 0.01 0.00 -2.28 -1.14 0.00 0.00 0.00 176.54 173.14 3i6m n SER 81 N -4.79 0.29 -0.02 0.19 3.41 -1.12 -4.39 113.62 107.18 3i6m n SER 81 Ca 0.19 0.07 -0.00 0.00 -0.26 0.00 0.00 58.87 58.86 3i6m n SER 81 Cb 0.45 0.72 0.29 0.00 -0.26 0.00 0.00 64.21 65.40 3i6m n SER 81 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3i6m h GLU 82 N 0.00 0.58 0.00 4.33 4.57 -1.09 -2.70 114.58 120.28 3i6m h GLU 82 Ca -0.51 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 57.56 3i6m h GLU 82 Cb 2.19 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 30.69 3i6m h GLU 82 CO 0.03 0.58 0.01 0.00 -1.18 0.00 0.00 179.01 178.45 3i6m n MET 83 N -4.29 0.11 -0.01 1.92 0.00 -0.36 -1.44 117.12 113.06 3i6m n MET 83 Ca 0.02 0.61 0.11 0.00 0.00 0.00 0.00 57.70 58.44 3i6m n MET 83 Cb 0.23 -1.88 -0.16 0.00 0.00 0.00 0.00 33.22 31.41 3i6m n MET 83 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 3i6m n TRP 84 N -2.11 0.00 -1.77 3.17 7.02 -1.02 -4.73 117.44 118.00 3i6m n TRP 84 Ca -0.01 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.15 3i6m n TRP 84 Cb 0.04 -0.40 0.03 0.00 -2.42 0.00 0.00 31.31 28.56 3i6m n TRP 84 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 3i6m s ASN 85 N -4.20 5.55 0.20 -0.99 0.01 -0.52 -4.72 114.94 110.27 3i6m s ASN 85 Ca -0.05 1.70 -0.33 0.00 -0.71 0.00 0.00 52.86 53.47 3i6m s ASN 85 Cb 0.14 -2.51 -0.14 0.00 0.41 0.00 0.00 41.25 39.15 3i6m s ASN 85 CO 0.88 -1.33 1.51 -2.65 -1.51 0.00 0.00 177.10 174.00 3i6m n PRO 86 N -2.67 2.10 -0.21 -0.60 -0.02 -1.26 -4.86 135.00 127.48 3i6m n PRO 86 Ca 0.08 0.75 0.06 0.00 -2.02 0.00 0.00 63.50 62.38 3i6m n PRO 86 Cb 0.53 -2.48 0.17 0.00 -0.02 0.00 0.00 33.50 31.71 3i6m n PRO 86 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3i6m n ASN 87 N 2.85 3.07 -4.34 2.55 6.94 -1.26 -4.96 115.26 120.11 3i6m n ASN 87 Ca 0.15 -2.09 -0.18 0.00 -0.02 0.00 0.00 54.58 52.44 3i6m n ASN 87 Cb 0.30 -0.27 -0.10 0.00 -2.36 0.00 0.00 39.78 37.34 3i6m n ASN 87 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 3i6m s ARG 88 N -1.17 1.41 0.48 -3.83 1.81 -1.26 -5.11 118.95 111.28 3i6m s ARG 88 Ca 0.26 -1.74 -0.23 0.00 -1.72 0.00 0.00 55.73 52.29 3i6m s ARG 88 Cb 0.15 -0.52 -0.07 0.00 -0.45 0.00 0.00 34.95 34.06 3i6m s ARG 88 CO 0.16 -0.19 1.29 -2.00 -0.68 0.00 0.00 175.30 173.88 3i6m s GLU 89 N -3.93 3.58 0.25 3.54 2.12 -1.26 -4.58 118.70 118.43 3i6m s GLU 89 Ca 0.33 2.08 -0.10 0.00 0.36 0.00 0.00 54.97 57.65 3i6m s GLU 89 Cb 0.07 -2.46 -0.07 0.00 0.26 0.00 0.00 34.13 31.93 3i6m s GLU 89 CO 0.11 -0.78 0.57 -1.64 -0.54 0.00 0.00 175.26 172.98 3i6m s MET 90 N -2.64 3.80 -0.10 4.30 -1.94 -1.26 -1.55 119.30 119.91 3i6m s MET 90 Ca 0.65 0.28 -0.30 0.00 -1.71 0.00 0.00 55.69 54.61 3i6m s MET 90 Cb -0.36 -2.62 0.10 0.00 2.01 0.00 0.00 34.83 33.96 3i6m s MET 90 CO 0.44 0.28 0.87 0.45 -0.01 0.00 0.00 175.02 177.05 3i6m s SER 91 N -2.48 -0.47 0.46 3.03 0.15 -0.32 -4.88 113.70 109.18 3i6m s SER 91 Ca 0.48 0.46 0.29 0.00 0.70 0.00 0.00 55.95 57.88 3i6m s SER 91 Cb -0.11 0.40 1.04 0.00 -1.71 0.00 0.00 66.02 65.63 3i6m s SER 91 CO 0.22 -0.47 1.84 -0.33 1.20 0.00 0.00 173.24 175.70 3i6m h GLU 92 N 2.64 0.00 -5.18 5.44 5.08 -1.94 -3.21 114.58 117.40 3i6m h GLU 92 Ca -0.22 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.45 3i6m h GLU 92 Cb 1.17 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.26 3i6m h GLU 92 CO 0.34 0.00 1.22 0.34 -1.00 0.00 0.00 179.01 179.91 3i6m s ASP 93 N -5.50 6.76 -0.00 1.42 -1.08 -1.26 -4.26 116.67 112.75 3i6m s ASP 93 Ca 0.04 -2.28 0.00 0.00 -0.52 0.00 0.00 52.55 49.79 3i6m s ASP 93 Cb 0.08 -2.44 0.00 0.00 -1.46 0.00 0.00 42.92 39.11 3i6m s ASP 93 CO 0.55 -1.04 0.63 0.00 0.52 0.00 0.00 175.17 175.83 3i6m s LEU 95 N -0.10 4.63 0.13 0.00 1.43 -1.26 -4.70 118.68 118.81 3i6m s LEU 95 Ca 0.00 -2.25 0.02 0.00 -1.03 0.00 0.00 54.13 50.87 3i6m s LEU 95 Cb 0.00 -2.45 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 3i6m s LEU 95 CO 0.00 -1.07 -0.04 -0.31 0.23 0.00 0.00 176.35 175.16 3i6m s TYR 96 N 2.97 1.03 0.15 0.29 1.51 -1.26 -2.95 117.35 119.10 3i6m s TYR 96 Ca 0.40 -0.94 0.05 0.00 -1.01 0.00 0.00 57.07 55.57 3i6m s TYR 96 Cb -0.02 -0.59 -0.04 0.00 -0.11 0.00 0.00 41.96 41.20 3i6m s TYR 96 CO -0.05 -0.16 -0.11 -0.48 -1.11 0.00 0.00 175.55 173.65 3i6m s LEU 97 N -3.10 2.53 -0.01 -1.29 0.05 0.07 -2.85 118.68 114.08 3i6m s LEU 97 Ca 0.17 -1.01 0.06 0.00 0.05 0.00 0.00 54.13 53.40 3i6m s LEU 97 Cb 0.05 -0.40 -0.02 0.00 -2.05 0.00 0.00 46.19 43.78 3i6m s LEU 97 CO -0.01 -0.30 -0.18 0.20 -0.55 0.00 0.00 176.35 175.51 3i6m s ASN 98 N -3.16 2.11 -0.07 1.48 0.01 -0.38 -0.93 114.94 114.00 3i6m s ASN 98 Ca 0.17 -0.35 0.01 0.00 -0.71 0.00 0.00 52.86 51.99 3i6m s ASN 98 Cb 0.02 -0.22 0.02 0.00 0.41 0.00 0.00 41.25 41.47 3i6m s ASN 98 CO 0.02 0.21 -0.09 -0.63 -1.51 0.00 0.00 177.10 175.09 3i6m s ILE 99 N -0.47 0.94 -0.23 0.60 1.01 0.14 -1.32 121.20 121.88 3i6m s ILE 99 Ca 0.07 -0.33 -0.07 0.00 0.00 0.00 0.00 60.65 60.32 3i6m s ILE 99 Cb -0.07 -0.91 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 3i6m s ILE 99 CO -0.00 0.32 0.04 0.26 0.00 0.00 0.00 174.94 175.57 3i6m s TRP 100 N 1.01 3.08 -0.14 3.97 0.51 -0.08 -0.44 118.94 126.85 3i6m s TRP 100 Ca -0.08 -0.42 0.02 0.00 -2.12 0.00 0.00 56.10 53.49 3i6m s TRP 100 Cb -0.15 -2.18 0.00 0.00 -0.81 0.00 0.00 33.47 30.34 3i6m s TRP 100 CO -0.00 -0.30 -0.20 0.08 -0.51 0.00 0.00 176.95 176.02 3i6m s VAL 101 N 1.34 2.28 0.93 4.03 1.01 0.34 -2.02 120.40 128.31 3i6m s VAL 101 Ca 0.05 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 61.01 3i6m s VAL 101 Cb -0.15 -1.92 0.12 0.00 0.00 0.00 0.00 36.38 34.43 3i6m s VAL 101 CO 0.03 0.54 0.96 -0.81 0.00 0.00 0.00 175.10 175.82 3i6m n PRO 102 N 3.94 -0.41 -4.34 2.72 -0.04 -1.26 -1.27 135.00 134.34 3i6m n PRO 102 Ca -0.19 -0.06 -0.26 0.00 -0.04 0.00 0.00 63.50 62.95 3i6m n PRO 102 Cb 0.52 -2.25 -0.17 0.00 -0.04 0.00 0.00 33.50 31.56 3i6m n PRO 102 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3i6m s SER 103 N -2.47 2.00 0.61 3.54 0.15 -1.26 -3.09 113.70 113.18 3i6m s SER 103 Ca 0.65 -0.32 -0.19 0.00 0.70 0.00 0.00 55.95 56.78 3i6m s SER 103 Cb -0.23 -0.87 -0.03 0.00 -1.71 0.00 0.00 66.02 63.19 3i6m s SER 103 CO 0.60 -0.02 1.30 -2.65 1.20 0.00 0.00 173.24 173.67 3i6m n PRO 104 N 4.24 1.31 -1.68 5.44 -0.02 -1.26 -4.96 135.00 138.07 3i6m n PRO 104 Ca -0.19 0.50 -0.48 0.00 -2.02 0.00 0.00 63.50 61.31 3i6m n PRO 104 Cb 0.51 -2.53 -0.05 0.00 -0.02 0.00 0.00 33.50 31.42 3i6m n PRO 104 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3i6m n ARG 105 N -1.54 2.14 -0.97 -0.52 0.63 -1.18 -4.95 116.66 110.27 3i6m n ARG 105 Ca 0.14 0.78 -0.29 0.00 -0.92 0.00 0.00 57.85 57.56 3i6m n ARG 105 Cb 0.47 -2.59 0.22 0.00 0.45 0.00 0.00 32.46 31.01 3i6m n ARG 105 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3i6m s PRO 106 N 2.88 -0.76 -0.25 -0.14 0.04 -1.26 -5.00 135.00 130.51 3i6m s PRO 106 Ca 0.88 0.29 -0.03 0.00 0.04 0.00 0.00 61.00 62.17 3i6m s PRO 106 Cb -0.70 -1.62 -0.17 0.00 0.04 0.00 0.00 34.50 32.06 3i6m s PRO 106 CO 0.47 -3.48 -0.20 1.63 0.04 0.00 0.00 177.00 175.47 3i6m n LYS 107 N -4.66 0.64 -2.74 4.56 4.76 -1.26 -4.08 118.16 115.38 3i6m n LYS 107 Ca 0.08 0.20 -0.06 0.00 -2.87 0.00 0.00 58.31 55.66 3i6m n LYS 107 Cb 0.58 -1.54 0.03 0.00 -1.84 0.00 0.00 35.03 32.27 3i6m n LYS 107 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3i6m n SER 108 N -3.55 -2.93 -4.75 4.39 2.88 -0.98 -4.49 113.62 104.19 3i6m n SER 108 Ca -0.46 -2.90 -0.22 0.00 -1.33 0.00 0.00 58.87 53.96 3i6m n SER 108 Cb 0.96 1.66 -0.06 0.00 -0.75 0.00 0.00 64.21 66.02 3i6m n SER 108 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3i6m s THR 109 N 0.74 3.67 0.20 2.46 -1.32 0.12 -4.53 115.64 116.99 3i6m s THR 109 Ca 0.30 -1.64 -0.31 0.00 -1.21 0.00 0.00 61.69 58.83 3i6m s THR 109 Cb 0.13 -3.09 -0.15 0.00 -1.51 0.00 0.00 72.50 67.88 3i6m s THR 109 CO -0.15 -0.30 1.10 0.41 -2.21 0.00 0.00 174.62 173.48 3i6m n THR 110 N -1.10 1.20 -4.93 5.08 -1.04 -1.26 -0.65 114.28 111.57 3i6m n THR 110 Ca -0.05 -0.30 -0.33 0.00 -2.04 0.00 0.00 64.05 61.33 3i6m n THR 110 Cb 0.59 -0.85 -0.14 0.00 -1.82 0.00 0.00 70.33 68.11 3i6m n THR 110 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3i6m s VAL 111 N -0.43 2.88 -0.12 12.58 1.01 -0.80 -1.48 120.40 134.04 3i6m s VAL 111 Ca 0.69 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.92 3i6m s VAL 111 Cb -0.82 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 33.44 3i6m s VAL 111 CO 0.54 0.57 -0.15 -0.04 0.00 0.00 0.00 175.10 176.02 3i6m s MET 112 N -0.34 2.23 -0.26 2.72 -1.94 -0.55 -0.34 119.30 120.83 3i6m s MET 112 Ca 0.03 -0.56 -0.04 0.00 -1.71 0.00 0.00 55.69 53.41 3i6m s MET 112 Cb -0.13 -1.93 0.01 0.00 2.01 0.00 0.00 34.83 34.80 3i6m s MET 112 CO 0.02 -0.09 -0.01 0.08 -0.01 0.00 0.00 175.02 175.01 3i6m s VAL 113 N 1.08 3.41 -0.10 -6.03 1.01 0.65 0.51 120.40 120.92 3i6m s VAL 113 Ca -0.04 -0.75 -0.19 0.00 0.00 0.00 0.00 61.98 60.99 3i6m s VAL 113 Cb -0.15 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 3i6m s VAL 113 CO -0.03 0.22 0.52 0.86 0.00 0.00 0.00 175.10 176.67 3i6m s TRP 114 N 1.43 3.54 -0.32 5.22 -0.11 0.27 -1.09 118.94 127.88 3i6m s TRP 114 Ca 0.03 0.98 -0.02 0.00 1.22 0.00 0.00 56.10 58.30 3i6m s TRP 114 Cb -0.16 -2.59 0.06 0.00 -1.50 0.00 0.00 33.47 29.28 3i6m s TRP 114 CO -0.02 0.18 0.04 0.42 -4.62 0.00 0.00 176.95 172.96 3i6m s ILE 115 N 0.54 3.06 0.74 5.86 1.01 0.43 -2.23 121.20 130.61 3i6m s ILE 115 Ca 0.28 -1.50 -0.14 0.00 0.00 0.00 0.00 60.65 59.29 3i6m s ILE 115 Cb -0.16 -2.83 0.04 0.00 0.01 0.00 0.00 42.46 39.53 3i6m s ILE 115 CO 0.12 -0.22 1.16 -0.72 0.00 0.00 0.00 174.94 175.29 3i6m s TYR 116 N 1.23 2.21 0.00 3.97 -0.85 -1.26 -3.51 117.35 119.14 3i6m s TYR 116 Ca -0.02 1.61 0.00 0.00 -0.52 0.00 0.00 57.07 58.13 3i6m s TYR 116 Cb -0.20 -3.33 0.00 0.00 0.38 0.00 0.00 41.96 38.81 3i6m s TYR 116 CO -0.01 -2.29 0.00 0.41 -1.52 0.00 0.00 175.55 172.13 3i6m n GLY 117 N -0.05 2.24 0.00 5.49 0.00 -1.22 -3.54 105.19 108.11 3i6m n GLY 117 Ca 0.12 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 44.04 3i6m n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i6m n GLY 118 N 5.00 0.25 2.29 -0.02 0.00 -1.26 -4.15 105.19 107.30 3i6m n GLY 118 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 3i6m n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i6m n GLY 119 N 0.00 1.31 3.18 -0.02 0.00 -1.26 -1.87 105.19 106.53 3i6m n GLY 119 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i6m n GLY 119 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i6m n PHE 120 N -2.31 0.00 0.12 1.61 3.72 -1.26 -4.78 117.46 114.56 3i6m n PHE 120 Ca -0.17 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.24 3i6m n PHE 120 Cb 0.56 -1.02 0.01 0.00 -0.94 0.00 0.00 39.48 38.09 3i6m n PHE 120 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 3i6m n TYR 121 N -2.17 0.00 -3.67 1.38 0.18 -0.78 -0.26 117.16 111.84 3i6m n TYR 121 Ca 0.00 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.70 3i6m n TYR 121 Cb 0.13 0.00 0.02 0.00 -0.38 0.00 0.00 39.34 39.11 3i6m n TYR 121 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 3i6m n SER 122 N 0.02 -1.95 0.00 9.48 3.41 -0.82 -3.95 113.62 119.81 3i6m n SER 122 Ca 0.02 -2.35 0.00 0.00 -0.26 0.00 0.00 58.87 56.27 3i6m n SER 122 Cb 0.07 3.25 0.00 0.00 -0.26 0.00 0.00 64.21 67.27 3i6m n SER 122 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i6m n GLY 123 N -0.45 3.66 3.26 5.00 0.00 -1.26 -4.07 105.19 111.33 3i6m n GLY 123 Ca -0.08 -1.70 -0.14 0.00 0.00 0.00 0.00 46.02 44.11 3i6m n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i6m s SER 124 N 0.00 -0.25 0.12 1.61 0.01 -1.26 -4.63 113.70 109.30 3i6m s SER 124 Ca 0.00 0.23 0.26 0.00 1.31 0.00 0.00 55.95 57.75 3i6m s SER 124 Cb 0.00 0.40 0.65 0.00 0.21 0.00 0.00 66.02 67.28 3i6m s SER 124 CO 0.00 -0.40 1.58 -1.54 0.41 0.00 0.00 173.24 173.28 3i6m n SER 125 N 1.52 0.61 -0.81 2.44 3.41 -1.26 -4.02 113.62 115.50 3i6m n SER 125 Ca -0.20 0.28 0.11 0.00 -0.26 0.00 0.00 58.87 58.80 3i6m n SER 125 Cb 0.56 -0.25 0.30 0.00 -0.26 0.00 0.00 64.21 64.56 3i6m n SER 125 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3i6m n THR 126 N -1.99 0.31 -1.91 6.66 -2.24 -1.26 -4.82 114.28 109.02 3i6m n THR 126 Ca 0.05 -0.51 -0.38 0.00 -2.27 0.00 0.00 64.05 60.94 3i6m n THR 126 Cb 0.41 0.68 0.02 0.00 -2.10 0.00 0.00 70.33 69.35 3i6m n THR 126 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3i6m s LEU 127 N -1.57 3.94 0.30 3.22 1.43 -1.26 -4.92 118.68 119.82 3i6m s LEU 127 Ca 0.35 2.67 0.03 0.00 -1.03 0.00 0.00 54.13 56.15 3i6m s LEU 127 Cb 0.20 -4.20 0.63 0.00 0.03 0.00 0.00 46.19 42.84 3i6m s LEU 127 CO 0.29 -1.33 1.84 0.44 0.23 0.00 0.00 176.35 177.81 3i6m h ASP 128 N 1.77 0.86 0.53 2.29 3.32 -1.94 -0.04 116.42 123.21 3i6m h ASP 128 Ca -0.50 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3i6m h ASP 128 Cb 1.28 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.71 3i6m h ASP 128 CO 0.59 0.44 0.00 1.33 -1.72 0.00 0.00 179.24 179.88 3i6m n VAL 129 N -4.61 0.97 -0.15 -1.35 0.24 -1.26 -2.08 118.33 110.09 3i6m n VAL 129 Ca 0.19 0.32 0.11 0.00 -2.04 0.00 0.00 64.34 62.92 3i6m n VAL 129 Cb 0.39 -1.22 0.26 0.00 -1.47 0.00 0.00 33.84 31.80 3i6m n VAL 129 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3i6m n TYR 130 N -2.02 0.76 -1.57 6.34 4.01 -0.04 -4.66 117.16 119.97 3i6m n TYR 130 Ca 0.02 -0.42 -0.44 0.00 -0.16 0.00 0.00 57.90 56.90 3i6m n TYR 130 Cb 0.17 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.16 3i6m n TYR 130 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3i6m n ASN 131 N 1.42 3.01 0.00 7.72 2.85 -0.88 -4.84 115.26 124.54 3i6m n ASN 131 Ca 0.21 0.19 0.13 0.00 -0.11 0.00 0.00 54.58 55.00 3i6m n ASN 131 Cb 0.58 -1.51 0.78 0.00 1.24 0.00 0.00 39.78 40.87 3i6m n ASN 131 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3i6m n GLY 132 N 5.93 -0.97 0.27 8.20 0.00 -1.26 -4.11 105.19 113.25 3i6m n GLY 132 Ca 0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 3i6m n GLY 132 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3i6m h LYS 133 N 0.00 0.59 -0.36 1.61 2.10 -1.92 -1.26 116.57 117.34 3i6m h LYS 133 Ca 0.00 -0.14 -0.05 0.00 -2.00 0.00 0.00 60.65 58.46 3i6m h LYS 133 Cb 0.00 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.24 3i6m h LYS 133 CO 0.00 0.62 0.01 1.88 -2.00 0.00 0.00 179.45 179.96 3i6m h TYR 134 N 0.56 0.67 -0.13 0.07 0.05 -1.81 0.78 116.97 117.16 3i6m h TYR 134 Ca 0.11 -0.11 -0.10 0.00 0.05 0.00 0.00 58.73 58.68 3i6m h TYR 134 Cb 0.39 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 37.95 3i6m h TYR 134 CO 0.02 0.72 -0.31 1.25 -1.05 0.00 0.00 178.16 178.78 3i6m h LEU 135 N 0.44 0.50 -0.20 3.88 5.85 -1.73 0.23 115.31 124.28 3i6m h LEU 135 Ca 0.10 -0.58 0.02 0.00 0.84 0.00 0.00 57.88 58.26 3i6m h LEU 135 Cb 0.44 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3i6m h LEU 135 CO 0.02 0.99 0.08 0.00 -0.34 0.00 0.00 178.44 179.18 3i6m h ALA 136 N 0.53 0.23 0.23 1.25 0.00 -1.21 -0.44 119.26 119.85 3i6m h ALA 136 Ca -0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3i6m h ALA 136 Cb 0.92 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3i6m h ALA 136 CO 0.07 -0.34 -0.11 -0.92 0.00 0.00 0.00 179.25 177.95 3i6m h TYR 137 N 0.18 -0.28 -0.58 0.00 3.20 -0.82 0.50 116.97 119.16 3i6m h TYR 137 Ca 0.09 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.86 3i6m h TYR 137 Cb 0.04 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 3i6m h TYR 137 CO -0.11 0.00 0.03 1.15 -1.64 0.00 0.00 178.16 177.60 3i6m h THR 138 N -0.56 1.26 -0.23 1.81 2.02 -0.47 -3.19 112.91 113.56 3i6m h THR 138 Ca -0.03 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.06 3i6m h THR 138 Cb 0.41 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 3i6m h THR 138 CO 0.05 0.40 0.00 -0.62 0.37 0.00 0.00 175.52 175.72 3i6m n GLU 139 N -4.25 2.05 -3.59 6.66 -0.58 -0.18 -4.99 120.64 115.77 3i6m n GLU 139 Ca 0.03 -1.93 -0.20 0.00 -0.42 0.00 0.00 57.16 54.64 3i6m n GLU 139 Cb 0.32 -1.40 0.05 0.00 -0.57 0.00 0.00 31.44 29.84 3i6m n GLU 139 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3i6m n GLU 140 N 1.13 -5.09 -4.45 3.49 4.07 0.14 -5.00 120.64 114.93 3i6m n GLU 140 Ca 0.14 0.70 -0.24 0.00 -0.06 0.00 0.00 57.16 57.70 3i6m n GLU 140 Cb 0.50 -5.39 -0.10 0.00 -0.06 0.00 0.00 31.44 26.39 3i6m n GLU 140 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 3i6m s VAL 141 N -3.55 2.38 -0.33 6.31 -7.23 -1.06 -4.72 120.40 112.21 3i6m s VAL 141 Ca 0.05 -2.30 -0.22 0.00 -1.81 0.00 0.00 61.98 57.70 3i6m s VAL 141 Cb -0.01 -2.23 -0.00 0.00 0.56 0.00 0.00 36.38 34.70 3i6m s VAL 141 CO 0.78 -0.35 0.70 -0.69 -0.31 0.00 0.00 175.10 175.23 3i6m s VAL 142 N -2.35 4.85 -0.24 1.32 1.01 -0.55 -4.44 120.40 119.99 3i6m s VAL 142 Ca 0.27 0.88 -0.09 0.00 0.00 0.00 0.00 61.98 63.04 3i6m s VAL 142 Cb -0.05 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 3i6m s VAL 142 CO 0.13 -0.27 0.11 -0.22 0.00 0.00 0.00 175.10 174.85 3i6m s LEU 143 N 2.82 3.76 -0.05 3.92 1.98 -0.86 -1.48 118.68 128.78 3i6m s LEU 143 Ca 0.28 -0.05 0.04 0.00 -2.89 0.00 0.00 54.13 51.51 3i6m s LEU 143 Cb -0.14 -2.01 -0.02 0.00 0.66 0.00 0.00 46.19 44.68 3i6m s LEU 143 CO 0.14 0.02 -0.16 -0.69 -1.89 0.00 0.00 176.35 173.77 3i6m s VAL 144 N 1.29 2.91 -0.12 1.68 1.01 0.18 -0.90 120.40 126.44 3i6m s VAL 144 Ca 0.06 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.28 3i6m s VAL 144 Cb -0.15 -2.13 0.01 0.00 0.00 0.00 0.00 36.38 34.12 3i6m s VAL 144 CO 0.05 0.58 -0.17 -0.94 0.00 0.00 0.00 175.10 174.62 3i6m s SER 145 N -0.58 2.68 0.52 3.32 1.04 -0.43 0.96 113.70 121.20 3i6m s SER 145 Ca 0.08 -0.49 0.08 0.00 0.48 0.00 0.00 55.95 56.11 3i6m s SER 145 Cb -0.11 -1.21 0.08 0.00 0.10 0.00 0.00 66.02 64.88 3i6m s SER 145 CO 0.01 0.03 0.70 0.00 0.98 0.00 0.00 173.24 174.97 3i6m n LEU 146 N 4.18 0.00 -4.20 2.42 -0.00 -0.95 -1.24 117.00 117.20 3i6m n LEU 146 Ca -0.19 -2.29 -0.12 0.00 -0.00 0.00 0.00 56.01 53.41 3i6m n LEU 146 Cb 0.51 -0.36 -0.10 0.00 -0.00 0.00 0.00 43.42 43.47 3i6m n LEU 146 CO 0.25 -0.68 -0.32 -0.94 -0.00 0.00 0.00 177.39 175.69 3i6m s SER 147 N -4.23 0.88 -0.04 1.45 1.04 -1.13 -4.56 113.70 107.11 3i6m s SER 147 Ca 0.53 -1.17 -0.30 0.00 0.48 0.00 0.00 55.95 55.49 3i6m s SER 147 Cb -0.04 0.18 0.08 0.00 0.10 0.00 0.00 66.02 66.34 3i6m s SER 147 CO 0.34 -0.62 0.71 -0.72 0.98 0.00 0.00 173.24 173.93 3i6m s TYR 148 N -3.80 -0.60 0.31 5.02 1.13 -1.26 -4.51 117.35 113.64 3i6m s TYR 148 Ca 0.23 0.94 -0.29 0.00 -1.41 0.00 0.00 57.07 56.54 3i6m s TYR 148 Cb 0.07 0.44 -0.10 0.00 -1.10 0.00 0.00 41.96 41.26 3i6m s TYR 148 CO 0.02 -0.61 1.39 1.03 -2.51 0.00 0.00 175.55 174.88 3i6m s ARG 149 N -1.56 4.28 0.46 -3.49 0.52 -1.26 -4.89 118.95 113.01 3i6m s ARG 149 Ca -0.08 2.31 0.03 0.00 -0.52 0.00 0.00 55.73 57.47 3i6m s ARG 149 Cb -0.00 -3.07 -0.03 0.00 0.52 0.00 0.00 34.95 32.37 3i6m s ARG 149 CO 0.06 -0.34 0.03 0.14 0.02 0.00 0.00 175.30 175.21 3i6m s VAL 150 N -0.70 1.22 0.00 3.52 -7.23 -1.26 -4.15 120.40 111.80 3i6m s VAL 150 Ca 0.54 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.71 3i6m s VAL 150 Cb -0.42 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.12 3i6m s VAL 150 CO 0.51 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.91 3i6m n GLY 151 N -1.10 0.77 0.36 2.32 0.00 0.65 -2.35 105.19 105.84 3i6m n GLY 151 Ca -0.13 -0.79 0.07 0.00 0.00 0.00 0.00 46.02 45.18 3i6m n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6m h ALA 152 N -0.90 1.67 -0.59 4.61 0.00 -1.90 0.03 119.26 122.19 3i6m h ALA 152 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.98 3i6m h ALA 152 Cb 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3i6m h ALA 152 CO 0.00 0.16 0.40 0.74 0.00 0.00 0.00 179.25 180.54 3i6m h PHE 153 N 0.84 0.51 0.00 0.00 0.04 -1.92 -0.46 116.94 115.95 3i6m h PHE 153 Ca 0.39 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.18 3i6m h PHE 153 Cb 0.41 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.39 3i6m h PHE 153 CO -0.00 0.26 -1.42 0.41 -0.60 0.00 0.00 178.31 176.96 3i6m n GLY 154 N -1.50 -0.67 0.00 -1.45 0.00 -0.69 -4.15 105.19 96.73 3i6m n GLY 154 Ca 0.09 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3i6m n GLY 154 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i6m n PHE 155 N -1.84 0.00 -1.73 1.61 3.72 -0.09 -0.88 117.46 118.25 3i6m n PHE 155 Ca -0.01 -0.06 -0.42 0.00 -0.05 0.00 0.00 57.45 56.91 3i6m n PHE 155 Cb 0.37 -0.01 -0.02 0.00 -0.94 0.00 0.00 39.48 38.88 3i6m n PHE 155 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 3i6m n LEU 156 N -0.06 4.10 -3.79 4.37 7.94 -0.20 -4.41 117.00 124.95 3i6m n LEU 156 Ca 0.00 1.10 -0.27 0.00 -1.11 0.00 0.00 56.01 55.73 3i6m n LEU 156 Cb 0.45 -1.57 -0.17 0.00 0.53 0.00 0.00 43.42 42.66 3i6m n LEU 156 CO 0.00 0.15 -0.39 0.00 -1.11 0.00 0.00 177.39 176.04 3i6m s ALA 157 N 0.68 1.06 -0.71 1.96 0.00 -1.26 -3.42 121.76 120.07 3i6m s ALA 157 Ca 0.71 -0.59 0.05 0.00 0.00 0.00 0.00 51.96 52.13 3i6m s ALA 157 Cb -0.51 -1.06 0.18 0.00 0.00 0.00 0.00 23.12 21.73 3i6m s ALA 157 CO 0.39 -0.89 0.54 1.28 0.00 0.00 0.00 175.76 177.08 3i6m n LEU 158 N 5.02 3.16 -4.61 0.00 4.77 -0.02 -2.94 117.00 122.39 3i6m n LEU 158 Ca -0.09 -5.24 -0.49 0.00 -0.03 0.00 0.00 56.01 50.15 3i6m n LEU 158 Cb 0.48 -0.76 -0.05 0.00 -2.33 0.00 0.00 43.42 40.76 3i6m n LEU 158 CO 0.13 1.79 0.93 1.57 -1.33 0.00 0.00 177.39 180.48 3i6m n HIS 159 N 1.83 1.68 0.00 -1.77 -0.00 -1.26 -1.76 115.22 113.95 3i6m n HIS 159 Ca 0.21 0.55 0.00 0.00 -0.00 0.00 0.00 57.72 58.48 3i6m n HIS 159 Cb 0.36 -2.38 0.00 0.00 -0.00 0.00 0.00 29.99 27.97 3i6m n HIS 159 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3i6m n GLY 160 N 2.56 2.06 3.85 1.57 0.00 -1.26 -5.07 105.19 108.91 3i6m n GLY 160 Ca 0.17 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 3i6m n GLY 160 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i6m s SER 161 N -0.18 6.79 0.00 1.61 1.04 -0.72 -4.97 113.70 117.27 3i6m s SER 161 Ca 0.00 1.15 0.24 0.00 0.48 0.00 0.00 55.95 57.82 3i6m s SER 161 Cb 0.00 -2.32 0.22 0.00 0.10 0.00 0.00 66.02 64.02 3i6m s SER 161 CO 0.00 -0.05 1.26 0.00 0.98 0.00 0.00 173.24 175.43 3i6m n GLN 162 N 0.18 1.96 0.05 4.02 1.13 -1.26 -3.42 117.38 120.04 3i6m n GLN 162 Ca -0.01 -1.59 -0.16 0.00 -1.94 0.00 0.00 57.00 53.30 3i6m n GLN 162 Cb 0.52 -1.47 -0.14 0.00 0.11 0.00 0.00 30.24 29.26 3i6m n GLN 162 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3i6m h GLU 163 N 3.88 0.23 -1.89 -1.09 4.39 -1.93 -3.41 114.58 114.76 3i6m h GLU 163 Ca 0.00 -0.39 -0.54 0.00 0.34 0.00 0.00 59.36 58.78 3i6m h GLU 163 Cb 0.89 0.14 -0.38 0.00 -0.10 0.00 0.00 28.75 29.31 3i6m h GLU 163 CO 0.00 1.07 -1.08 0.00 -1.16 0.00 0.00 179.01 177.84 3i6m n ALA 164 N -2.69 2.21 0.22 3.43 0.00 -1.26 -3.07 120.51 119.35 3i6m n ALA 164 Ca -0.18 -3.29 0.08 0.00 0.00 0.00 0.00 53.44 50.05 3i6m n ALA 164 Cb 1.04 -0.84 0.48 0.00 0.00 0.00 0.00 19.45 20.13 3i6m n ALA 164 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3i6m h PRO 165 N 3.95 0.00 0.00 0.00 0.13 -1.74 -0.01 132.00 134.34 3i6m h PRO 165 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3i6m h PRO 165 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3i6m h PRO 165 CO 0.45 0.26 0.00 0.41 -0.23 0.00 0.00 178.00 178.90 3i6m n GLY 166 N -0.11 1.58 3.07 1.56 0.00 -1.22 -4.36 105.19 105.70 3i6m n GLY 166 Ca -0.01 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.05 3i6m n GLY 166 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i6m n ASN 167 N -0.03 -5.14 0.26 1.61 3.02 -1.26 -4.84 115.26 108.88 3i6m n ASN 167 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.66 3i6m n ASN 167 Cb 0.00 -3.22 0.73 0.00 -0.61 0.00 0.00 39.78 36.67 3i6m n ASN 167 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 3i6m h VAL 168 N 0.00 0.72 -0.31 2.41 -1.51 -1.83 0.12 116.25 115.85 3i6m h VAL 168 Ca 0.00 -0.35 -0.07 0.00 -1.23 0.00 0.00 66.70 65.05 3i6m h VAL 168 Cb 0.83 1.21 -0.02 0.00 -2.13 0.00 0.00 31.29 31.19 3i6m h VAL 168 CO 0.00 0.09 -0.12 1.23 -1.23 0.00 0.00 177.57 177.54 3i6m h GLY 169 N 0.45 0.58 1.43 5.19 0.00 -1.22 0.41 103.07 109.90 3i6m h GLY 169 Ca -0.00 -0.40 -0.17 0.00 0.00 0.00 0.00 47.33 46.75 3i6m h GLY 169 CO 0.01 0.37 -0.59 1.41 0.00 0.00 0.00 176.54 177.75 3i6m h LEU 170 N 0.49 0.67 -1.00 3.11 3.38 -1.07 -2.53 115.31 118.37 3i6m h LEU 170 Ca 0.09 -0.37 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 3i6m h LEU 170 Cb 0.50 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3i6m h LEU 170 CO 0.03 1.10 -0.28 -0.07 0.09 0.00 0.00 178.44 179.32 3i6m h LEU 171 N 0.45 0.39 -0.50 1.67 3.38 -0.30 -1.24 115.31 119.15 3i6m h LEU 171 Ca 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3i6m h LEU 171 Cb 1.15 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 3i6m h LEU 171 CO 0.11 0.66 0.32 0.44 0.09 0.00 0.00 178.44 180.06 3i6m h ASP 172 N 0.34 0.59 -0.76 -0.43 3.32 0.04 -0.33 116.42 119.19 3i6m h ASP 172 Ca 0.05 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 3i6m h ASP 172 Cb 0.67 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 3i6m h ASP 172 CO 0.05 0.45 0.36 1.56 -1.72 0.00 0.00 179.24 179.94 3i6m h GLN 173 N 0.68 1.10 -0.65 3.56 4.20 -1.01 -2.34 115.11 120.65 3i6m h GLN 173 Ca 0.18 -0.17 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 3i6m h GLN 173 Cb -0.04 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.51 3i6m h GLN 173 CO -0.04 0.86 0.13 -0.09 -0.67 0.00 0.00 178.83 179.02 3i6m h ARG 174 N 1.07 1.04 -0.49 1.46 2.43 -0.75 -1.52 114.38 117.64 3i6m h ARG 174 Ca 0.26 -0.26 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3i6m h ARG 174 Cb 0.13 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3i6m h ARG 174 CO -0.03 0.94 0.13 1.98 -1.51 0.00 0.00 179.97 181.48 3i6m h MET 175 N 0.99 0.73 -0.20 0.20 4.05 -0.63 0.94 114.93 121.00 3i6m h MET 175 Ca 0.20 -0.13 -0.16 0.00 -0.28 0.00 0.00 59.70 59.33 3i6m h MET 175 Cb 0.39 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.07 3i6m h MET 175 CO 0.01 0.65 -0.53 0.00 0.23 0.00 0.00 176.91 177.27 3i6m h ALA 176 N 1.44 0.70 -0.16 0.39 0.00 -1.07 0.56 119.26 121.12 3i6m h ALA 176 Ca 0.16 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 3i6m h ALA 176 Cb 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3i6m h ALA 176 CO -0.00 0.68 -0.27 -0.07 0.00 0.00 0.00 179.25 179.59 3i6m h LEU 177 N 0.45 0.29 -0.27 0.00 3.38 -0.45 -0.17 115.31 118.53 3i6m h LEU 177 Ca 0.01 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 3i6m h LEU 177 Cb 1.07 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3i6m h LEU 177 CO 0.10 0.56 -0.12 -0.61 0.09 0.00 0.00 178.44 178.46 3i6m h GLN 178 N 0.26 0.57 -0.92 1.13 5.75 -0.33 0.01 115.11 121.58 3i6m h GLN 178 Ca 0.04 -0.24 -0.01 0.00 -0.15 0.00 0.00 58.65 58.28 3i6m h GLN 178 Cb 0.62 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.10 3i6m h GLN 178 CO 0.04 0.81 0.52 2.35 -2.65 0.00 0.00 178.83 179.90 3i6m h TRP 179 N 0.31 1.25 -0.39 3.99 7.01 -0.51 -0.31 115.95 127.29 3i6m h TRP 179 Ca 0.06 -0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.01 3i6m h TRP 179 Cb 0.63 -0.40 -0.02 0.00 -2.10 0.00 0.00 29.16 27.27 3i6m h TRP 179 CO 0.06 0.85 0.12 0.28 -2.79 0.00 0.00 178.44 176.96 3i6m h VAL 180 N 1.28 1.22 -0.46 2.65 2.07 -0.85 0.11 116.25 122.27 3i6m h VAL 180 Ca 0.33 -0.72 0.04 0.00 0.82 0.00 0.00 66.70 67.16 3i6m h VAL 180 Cb 0.00 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 3i6m h VAL 180 CO -0.06 0.25 0.23 -0.74 0.02 0.00 0.00 177.57 177.28 3i6m h HIS 181 N 0.49 0.43 0.00 1.57 -0.00 -0.40 -0.56 115.15 116.68 3i6m h HIS 181 Ca 0.13 0.02 -0.16 0.00 -0.00 0.00 0.00 60.37 60.36 3i6m h HIS 181 Cb 0.27 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 27.53 3i6m h HIS 181 CO 0.01 0.22 -0.75 -0.44 -0.00 0.00 0.00 177.93 176.97 3i6m h ASP 182 N 0.47 0.00 0.00 3.26 3.32 -0.90 -3.41 116.42 119.16 3i6m h ASP 182 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3i6m h ASP 182 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3i6m h ASP 182 CO -0.13 0.75 -0.38 0.59 -1.72 0.00 0.00 179.24 178.35 3i6m n ASN 183 N -3.61 1.91 0.33 6.45 3.02 0.35 -4.77 115.26 118.94 3i6m n ASN 183 Ca -0.01 -0.25 0.22 0.00 -0.03 0.00 0.00 54.58 54.51 3i6m n ASN 183 Cb 0.74 0.88 1.15 0.00 -0.61 0.00 0.00 39.78 41.94 3i6m n ASN 183 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3i6m h ILE 184 N 0.00 0.00 0.00 2.41 6.09 -1.24 -1.61 117.51 123.16 3i6m h ILE 184 Ca 0.00 -0.05 -0.02 0.00 -1.37 0.00 0.00 64.86 63.43 3i6m h ILE 184 Cb 0.00 1.02 -0.00 0.00 0.47 0.00 0.00 36.82 38.31 3i6m h ILE 184 CO 0.00 0.00 -0.07 0.06 -3.07 0.00 0.00 178.15 175.07 3i6m h GLN 185 N 0.00 0.00 0.00 2.19 3.07 -1.80 -0.42 115.11 118.15 3i6m h GLN 185 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3i6m h GLN 185 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.61 3i6m h GLN 185 CO 0.00 0.07 0.00 1.19 0.09 0.00 0.00 178.83 180.18 3i6m n PHE 186 N -4.37 0.90 -0.11 0.06 3.72 -0.60 -2.00 117.46 115.06 3i6m n PHE 186 Ca -0.03 0.31 0.11 0.00 -0.05 0.00 0.00 57.45 57.79 3i6m n PHE 186 Cb 0.15 -1.01 0.26 0.00 -0.94 0.00 0.00 39.48 37.94 3i6m n PHE 186 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 3i6m n PHE 187 N -2.29 0.73 -0.46 1.38 3.01 -0.30 -4.86 117.46 114.68 3i6m n PHE 187 Ca 0.03 -0.41 0.00 0.00 1.01 0.00 0.00 57.45 58.09 3i6m n PHE 187 Cb 0.32 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.78 3i6m n PHE 187 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i6m n GLY 188 N 1.43 0.76 3.90 1.37 0.00 -0.85 -4.58 105.19 107.22 3i6m n GLY 188 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 3i6m n GLY 188 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i6m s GLY 189 N -1.81 1.82 -0.48 -0.02 0.00 -0.44 -0.70 107.32 105.69 3i6m s GLY 189 Ca 0.00 -0.55 -0.17 0.00 0.00 0.00 0.00 44.72 44.00 3i6m s GLY 189 CO 0.00 -0.44 0.48 -0.35 0.00 0.00 0.00 173.10 172.79 3i6m s ASP 190 N -3.24 6.17 0.00 1.64 2.15 0.17 -3.46 116.67 120.12 3i6m s ASP 190 Ca 0.44 -1.18 0.04 0.00 0.43 0.00 0.00 52.55 52.28 3i6m s ASP 190 Cb -0.11 -2.22 0.17 0.00 -0.30 0.00 0.00 42.92 40.46 3i6m s ASP 190 CO 0.31 -0.73 1.13 -0.81 -0.17 0.00 0.00 175.17 174.89 3i6m n PRO 191 N 5.55 0.00 0.03 4.34 -0.04 -1.26 -0.71 135.00 142.91 3i6m n PRO 191 Ca -0.10 0.43 0.12 0.00 -0.04 0.00 0.00 63.50 63.91 3i6m n PRO 191 Cb 0.44 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.71 3i6m n PRO 191 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3i6m n LYS 192 N -1.50 0.13 -3.02 0.54 5.02 -1.26 -4.25 118.16 113.82 3i6m n LYS 192 Ca 0.01 0.05 -0.22 0.00 -2.02 0.00 0.00 58.31 56.13 3i6m n LYS 192 Cb 0.05 -1.60 -0.03 0.00 -0.02 0.00 0.00 35.03 33.43 3i6m n LYS 192 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3i6m n THR 193 N -1.79 1.52 -3.65 -0.18 -1.04 0.11 -4.72 114.28 104.53 3i6m n THR 193 Ca 0.05 -5.00 -0.37 0.00 -2.04 0.00 0.00 64.05 56.69 3i6m n THR 193 Cb 0.38 -0.80 -0.10 0.00 -1.82 0.00 0.00 70.33 68.00 3i6m n THR 193 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3i6m s VAL 194 N -3.56 5.34 -0.21 12.58 1.01 -1.25 -1.91 120.40 132.39 3i6m s VAL 194 Ca 0.44 0.17 -0.06 0.00 0.00 0.00 0.00 61.98 62.54 3i6m s VAL 194 Cb 0.32 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 3i6m s VAL 194 CO -0.11 0.33 0.02 -0.89 0.00 0.00 0.00 175.10 174.45 3i6m s THR 195 N 1.20 4.08 -0.05 3.92 2.01 0.54 0.02 115.64 127.36 3i6m s THR 195 Ca 0.07 -0.26 -0.13 0.00 0.31 0.00 0.00 61.69 61.68 3i6m s THR 195 Cb -0.14 -2.86 -0.05 0.00 0.01 0.00 0.00 72.50 69.46 3i6m s THR 195 CO 0.06 0.41 0.34 0.27 -0.69 0.00 0.00 174.62 175.01 3i6m s ILE 196 N 1.09 5.18 -0.00 1.82 -4.36 -0.75 -0.25 121.20 123.92 3i6m s ILE 196 Ca 0.03 0.67 -0.08 0.00 -0.26 0.00 0.00 60.65 61.01 3i6m s ILE 196 Cb -0.14 -3.64 0.00 0.00 1.25 0.00 0.00 42.46 39.93 3i6m s ILE 196 CO 0.02 0.55 0.15 0.72 0.24 0.00 0.00 174.94 176.62 3i6m s PHE 197 N -0.75 0.01 0.11 1.37 -0.71 -0.25 -1.03 117.98 116.73 3i6m s PHE 197 Ca 0.21 -0.06 -0.26 0.00 -1.04 0.00 0.00 56.93 55.78 3i6m s PHE 197 Cb -0.15 -0.03 0.07 0.00 -1.21 0.00 0.00 43.02 41.70 3i6m s PHE 197 CO 0.10 -0.28 0.92 0.20 -1.34 0.00 0.00 175.22 174.82 3i6m s GLY 198 N -1.26 -0.31 0.00 1.99 0.00 -1.12 -0.43 107.32 106.19 3i6m s GLY 198 Ca -0.13 0.38 0.07 0.00 0.00 0.00 0.00 44.72 45.04 3i6m s GLY 198 CO 0.02 0.10 -0.23 1.85 0.00 0.00 0.00 173.10 174.84 3i6m s GLU 199 N -3.27 1.77 7.05 2.90 -6.30 -1.23 -1.47 118.70 118.14 3i6m s GLU 199 Ca 0.10 -0.88 0.00 0.00 -2.50 0.00 0.00 54.97 51.68 3i6m s GLU 199 Cb -0.01 -1.77 0.00 0.00 0.00 0.00 0.00 34.13 32.35 3i6m s GLU 199 CO -0.01 0.48 0.00 0.45 0.02 0.00 0.00 175.26 176.19 3i6m n SER 200 N 2.29 0.00 0.13 -1.70 2.88 0.13 -0.30 113.62 117.05 3i6m n SER 200 Ca -0.16 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.54 3i6m n SER 200 Cb 0.52 0.00 0.72 0.00 -0.75 0.00 0.00 64.21 64.70 3i6m n SER 200 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i6m h ALA 201 N -0.88 2.16 -0.09 -1.46 0.00 -1.88 0.41 119.26 117.51 3i6m h ALA 201 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 3i6m h ALA 201 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3i6m h ALA 201 CO 0.00 -0.38 -0.55 0.78 0.00 0.00 0.00 179.25 179.10 3i6m h GLY 202 N 0.00 0.31 1.42 0.00 0.00 -0.71 -0.22 103.07 103.87 3i6m h GLY 202 Ca 0.14 -0.36 -0.22 0.00 0.00 0.00 0.00 47.33 46.89 3i6m h GLY 202 CO -0.00 0.32 -0.88 -1.33 0.00 0.00 0.00 176.54 174.65 3i6m h GLY 203 N 1.37 0.60 1.20 4.60 0.00 -0.30 -1.76 103.07 108.79 3i6m h GLY 203 Ca 0.00 -0.95 -0.06 0.00 0.00 0.00 0.00 47.33 46.32 3i6m h GLY 203 CO 0.09 0.85 0.17 0.00 0.00 0.00 0.00 176.54 177.64 3i6m h ALA 204 N 0.69 1.09 -0.12 3.60 0.00 -0.59 -1.61 119.26 122.32 3i6m h ALA 204 Ca -0.07 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3i6m h ALA 204 Cb 1.50 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3i6m h ALA 204 CO 0.16 0.61 0.07 0.77 0.00 0.00 0.00 179.25 180.86 3i6m h SER 205 N 0.96 0.11 -0.38 0.00 0.02 -0.91 0.84 113.55 114.19 3i6m h SER 205 Ca 0.21 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.23 3i6m h SER 205 Cb 0.32 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.78 3i6m h SER 205 CO -0.00 0.08 0.00 0.58 -1.14 0.00 0.00 176.83 176.35 3i6m h VAL 206 N 0.14 0.72 -0.10 2.27 2.07 -0.92 0.19 116.25 120.62 3i6m h VAL 206 Ca 0.05 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 3i6m h VAL 206 Cb -0.00 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 3i6m h VAL 206 CO -0.03 0.02 -0.05 1.23 0.02 0.00 0.00 177.57 178.76 3i6m h GLY 207 N 0.10 0.15 1.68 2.17 0.00 -0.84 -1.67 103.07 104.67 3i6m h GLY 207 Ca 0.18 -0.07 -0.13 0.00 0.00 0.00 0.00 47.33 47.31 3i6m h GLY 207 CO -0.31 0.07 -0.46 -0.33 0.00 0.00 0.00 176.54 175.51 3i6m h MET 208 N 0.14 0.35 0.00 4.80 2.86 0.11 -1.89 114.93 121.29 3i6m h MET 208 Ca 0.03 -0.19 -0.08 0.00 -2.06 0.00 0.00 59.70 57.41 3i6m h MET 208 Cb 0.19 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 3i6m h MET 208 CO 0.01 0.74 -0.38 0.45 1.06 0.00 0.00 176.91 178.79 3i6m h HIS 209 N 0.28 0.00 -0.21 -0.22 3.86 -0.43 0.27 115.15 118.69 3i6m h HIS 209 Ca 0.02 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.09 3i6m h HIS 209 Cb 0.93 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.39 3i6m h HIS 209 CO 0.02 0.38 -0.46 0.82 0.86 0.00 0.00 177.93 179.55 3i6m h ILE 210 N 0.00 1.31 0.00 2.45 2.04 -0.90 -3.22 117.51 119.20 3i6m h ILE 210 Ca -0.00 -1.67 -0.01 0.00 1.00 0.00 0.00 64.86 64.18 3i6m h ILE 210 Cb 1.05 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 3i6m h ILE 210 CO 0.05 0.52 -0.05 -0.07 0.00 0.00 0.00 178.15 178.60 3i6m h LEU 211 N 0.43 0.03 -9.12 1.44 3.38 -1.04 0.25 115.31 110.68 3i6m h LEU 211 Ca 0.03 -0.90 -0.56 0.00 0.09 0.00 0.00 57.88 56.53 3i6m h LEU 211 Cb 0.98 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3i6m h LEU 211 CO 0.09 0.93 1.33 -0.55 0.09 0.00 0.00 178.44 180.32 3i6m s SER 212 N -6.17 5.99 0.51 -0.43 0.15 0.05 -4.62 113.70 109.19 3i6m s SER 212 Ca -0.18 2.09 0.23 0.00 0.70 0.00 0.00 55.95 58.79 3i6m s SER 212 Cb -0.02 -2.52 1.33 0.00 -1.71 0.00 0.00 66.02 63.10 3i6m s SER 212 CO 0.70 -1.50 2.00 1.55 1.20 0.00 0.00 173.24 177.18 3i6m h PRO 213 N 12.61 0.07 0.00 5.44 0.13 -1.87 -0.32 132.00 148.06 3i6m h PRO 213 Ca -0.42 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3i6m h PRO 213 Cb 1.22 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3i6m h PRO 213 CO 0.96 0.04 0.00 0.41 -0.23 0.00 0.00 178.00 179.19 3i6m n GLY 214 N -1.61 -1.13 0.03 1.56 0.00 -1.26 -3.64 105.19 99.12 3i6m n GLY 214 Ca 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 46.02 46.03 3i6m n GLY 214 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i6m n SER 215 N -1.46 2.90 -0.31 1.61 7.64 -0.16 -4.78 113.62 119.06 3i6m n SER 215 Ca 0.06 0.00 0.16 0.00 1.01 0.00 0.00 58.87 60.09 3i6m n SER 215 Cb 0.22 0.99 0.32 0.00 -1.01 0.00 0.00 64.21 64.72 3i6m n SER 215 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3i6m h ARG 216 N 0.00 0.12 0.00 1.43 3.08 -1.49 -1.54 114.38 115.98 3i6m h ARG 216 Ca -0.14 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.90 3i6m h ARG 216 Cb 1.10 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.12 3i6m h ARG 216 CO 0.01 0.08 0.00 -0.25 -1.07 0.00 0.00 179.97 178.74 3i6m n ASP 217 N -5.31 0.50 -0.30 7.04 8.00 -1.26 -3.58 116.55 121.64 3i6m n ASP 217 Ca 0.24 0.61 0.08 0.00 0.71 0.00 0.00 54.79 56.42 3i6m n ASP 217 Cb 0.77 -0.72 0.36 0.00 -0.02 0.00 0.00 41.12 41.51 3i6m n ASP 217 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3i6m n LEU 218 N -2.03 0.89 -3.60 0.64 4.77 -0.58 -4.90 117.00 112.18 3i6m n LEU 218 Ca 0.03 -0.39 -0.11 0.00 -0.03 0.00 0.00 56.01 55.51 3i6m n LEU 218 Cb 0.25 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 3i6m n LEU 218 CO 0.20 0.20 0.26 0.72 -1.33 0.00 0.00 177.39 177.44 3i6m s PHE 219 N -1.86 -0.27 -0.22 -1.77 -0.71 -1.23 -4.82 117.98 107.10 3i6m s PHE 219 Ca 0.25 -0.02 -0.17 0.00 -1.04 0.00 0.00 56.93 55.95 3i6m s PHE 219 Cb 0.13 0.38 -0.14 0.00 -1.21 0.00 0.00 43.02 42.18 3i6m s PHE 219 CO 0.20 -0.81 -0.06 -2.13 -1.34 0.00 0.00 175.22 171.08 3i6m n ARG 220 N -0.30 0.55 -4.33 1.99 3.00 0.10 -4.95 116.66 112.72 3i6m n ARG 220 Ca -0.15 0.45 -0.18 0.00 -0.00 0.00 0.00 57.85 57.98 3i6m n ARG 220 Cb 0.64 -1.64 -0.10 0.00 0.00 0.00 0.00 32.46 31.36 3i6m n ARG 220 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3i6m s ARG 221 N -2.43 1.49 -0.05 -0.14 0.52 -1.09 -4.67 118.95 112.58 3i6m s ARG 221 Ca -0.30 -1.82 -0.08 0.00 -0.52 0.00 0.00 55.73 53.01 3i6m s ARG 221 Cb 0.08 -0.25 0.01 0.00 0.52 0.00 0.00 34.95 35.31 3i6m s ARG 221 CO 0.49 -0.34 0.19 0.00 0.02 0.00 0.00 175.30 175.66 3i6m s ALA 222 N -3.68 -0.46 -0.09 2.13 0.00 -1.18 -1.81 121.76 116.67 3i6m s ALA 222 Ca 0.37 0.35 0.02 0.00 0.00 0.00 0.00 51.96 52.70 3i6m s ALA 222 Cb 0.07 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.02 3i6m s ALA 222 CO 0.15 -0.14 -0.15 0.42 0.00 0.00 0.00 175.76 176.04 3i6m s ILE 223 N -0.42 1.42 -0.18 0.00 1.01 -0.20 -1.72 121.20 121.12 3i6m s ILE 223 Ca -0.05 -0.63 0.01 0.00 0.00 0.00 0.00 60.65 59.98 3i6m s ILE 223 Cb -0.03 -1.28 0.03 0.00 0.01 0.00 0.00 42.46 41.18 3i6m s ILE 223 CO 0.01 0.42 -0.15 -0.76 0.00 0.00 0.00 174.94 174.46 3i6m s LEU 224 N 0.73 2.17 -0.29 2.97 1.02 -0.33 -2.81 118.68 122.15 3i6m s LEU 224 Ca -0.12 -0.74 -0.07 0.00 0.02 0.00 0.00 54.13 53.22 3i6m s LEU 224 Cb -0.16 -1.33 -0.00 0.00 0.02 0.00 0.00 46.19 44.72 3i6m s LEU 224 CO 0.03 -0.07 0.08 -1.10 0.02 0.00 0.00 176.35 175.31 3i6m s GLN 225 N 1.36 3.23 -1.52 1.70 -0.21 -0.54 -2.49 119.66 121.18 3i6m s GLN 225 Ca 0.02 -0.77 -0.06 0.00 0.02 0.00 0.00 55.36 54.57 3i6m s GLN 225 Cb -0.14 -3.38 0.05 0.00 1.00 0.00 0.00 33.01 30.54 3i6m s GLN 225 CO -0.10 -0.39 0.50 0.43 -2.12 0.00 0.00 175.29 173.61 3i6m n SER 226 N 4.89 -1.22 -3.57 5.90 7.64 -0.21 0.19 113.62 127.25 3i6m n SER 226 Ca -0.15 -1.03 -0.13 0.00 1.01 0.00 0.00 58.87 58.57 3i6m n SER 226 Cb 0.49 -2.82 -0.06 0.00 -1.01 0.00 0.00 64.21 60.81 3i6m n SER 226 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3i6m s GLY 227 N -4.01 -0.37 -0.05 0.23 0.00 -1.26 -3.29 107.32 98.57 3i6m s GLY 227 Ca 0.25 1.88 -0.12 0.00 0.00 0.00 0.00 44.72 46.73 3i6m s GLY 227 CO 0.91 1.15 0.27 -0.45 0.00 0.00 0.00 173.10 174.99 3i6m s SER 228 N -0.87 -0.20 0.47 1.64 0.15 -1.26 -4.25 113.70 109.38 3i6m s SER 228 Ca -0.04 0.23 0.17 0.00 0.70 0.00 0.00 55.95 57.01 3i6m s SER 228 Cb -0.01 0.41 1.14 0.00 -1.71 0.00 0.00 66.02 65.84 3i6m s SER 228 CO 0.03 -0.30 2.04 1.55 1.20 0.00 0.00 173.24 177.76 3i6m h PRO 229 N 4.65 0.00 -0.44 5.44 0.13 -1.81 -2.34 132.00 137.63 3i6m h PRO 229 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3i6m h PRO 229 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3i6m h PRO 229 CO 0.37 0.14 0.00 0.27 -0.23 0.00 0.00 178.00 178.55 3i6m n ASN 230 N -4.25 1.72 -4.78 1.44 6.94 -1.26 -4.78 115.26 110.28 3i6m n ASN 230 Ca -0.02 -2.10 -0.41 0.00 -0.02 0.00 0.00 54.58 52.03 3i6m n ASN 230 Cb 0.21 -0.29 -0.00 0.00 -2.36 0.00 0.00 39.78 37.34 3i6m n ASN 230 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3i6m h PRO 232 N 2.94 0.00 -0.01 0.00 0.13 -1.85 -1.96 132.00 131.26 3i6m h PRO 232 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3i6m h PRO 232 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3i6m h PRO 232 CO 0.64 0.00 -0.58 -2.67 -0.23 0.00 0.00 178.00 175.16 3i6m n TRP 233 N -2.56 0.00 1.25 1.56 4.27 -1.26 -4.59 117.44 116.11 3i6m n TRP 233 Ca -0.02 0.00 0.14 0.00 -3.89 0.00 0.00 57.50 53.73 3i6m n TRP 233 Cb 0.10 0.00 0.53 0.00 -1.36 0.00 0.00 31.31 30.58 3i6m n TRP 233 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3i6m n ALA 234 N -0.76 2.86 -3.51 -1.67 0.00 -0.74 -4.62 120.51 112.06 3i6m n ALA 234 Ca 0.05 -0.26 -0.10 0.00 0.00 0.00 0.00 53.44 53.12 3i6m n ALA 234 Cb 0.31 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.44 3i6m n ALA 234 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3i6m s SER 235 N -2.66 -0.48 0.12 0.00 1.04 -1.26 -3.62 113.70 106.84 3i6m s SER 235 Ca 0.23 -0.11 -0.01 0.00 0.48 0.00 0.00 55.95 56.54 3i6m s SER 235 Cb 0.19 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.86 3i6m s SER 235 CO 0.53 -0.98 0.04 0.68 0.98 0.00 0.00 173.24 174.49 3i6m s VAL 236 N -3.67 0.16 0.87 5.02 -7.23 -0.44 -4.97 120.40 110.14 3i6m s VAL 236 Ca 0.03 -1.90 -0.12 0.00 -1.81 0.00 0.00 61.98 58.19 3i6m s VAL 236 Cb -0.02 -1.96 0.11 0.00 0.56 0.00 0.00 36.38 35.07 3i6m s VAL 236 CO -0.09 -0.55 1.11 -0.94 -0.31 0.00 0.00 175.10 174.31 3i6m s SER 237 N -3.04 3.80 0.33 4.85 1.04 -1.26 -1.90 113.70 117.52 3i6m s SER 237 Ca 0.21 1.24 0.12 0.00 0.48 0.00 0.00 55.95 58.00 3i6m s SER 237 Cb 0.07 -1.91 0.57 0.00 0.10 0.00 0.00 66.02 64.85 3i6m s SER 237 CO -0.00 -2.40 1.73 -0.37 0.98 0.00 0.00 173.24 173.18 3i6m h VAL 238 N -1.39 1.33 -0.37 5.02 -1.51 -1.95 -0.89 116.25 116.50 3i6m h VAL 238 Ca -0.49 -1.64 -0.07 0.00 -1.23 0.00 0.00 66.70 63.27 3i6m h VAL 238 Cb 1.30 1.89 -0.01 0.00 -2.13 0.00 0.00 31.29 32.33 3i6m h VAL 238 CO 0.59 0.47 -0.04 0.00 -1.23 0.00 0.00 177.57 177.35 3i6m h ALA 239 N 1.52 0.50 -0.30 5.19 0.00 -1.95 0.09 119.26 124.32 3i6m h ALA 239 Ca -0.00 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.49 3i6m h ALA 239 Cb 0.85 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3i6m h ALA 239 CO 0.06 0.31 -0.38 1.49 0.00 0.00 0.00 179.25 180.74 3i6m h GLU 240 N 0.49 0.69 -0.75 0.00 4.57 -1.88 -0.86 114.58 116.84 3i6m h GLU 240 Ca 0.10 -0.34 -0.04 0.00 -1.18 0.00 0.00 59.36 57.90 3i6m h GLU 240 Cb 0.53 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.09 3i6m h GLU 240 CO 0.03 0.95 0.32 0.78 -1.18 0.00 0.00 179.01 179.91 3i6m h GLY 241 N 0.97 1.19 0.84 1.92 0.00 -1.02 -1.34 103.07 105.63 3i6m h GLY 241 Ca 0.05 -0.63 -0.00 0.00 0.00 0.00 0.00 47.33 46.75 3i6m h GLY 241 CO 0.08 0.60 -0.02 -0.09 0.00 0.00 0.00 176.54 177.11 3i6m h ARG 242 N 1.07 -0.07 -0.83 4.80 2.43 -0.72 -1.16 114.38 119.90 3i6m h ARG 242 Ca 0.25 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.56 3i6m h ARG 242 Cb 0.19 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 29.66 3i6m h ARG 242 CO -0.02 0.11 0.43 -0.09 -1.51 0.00 0.00 179.97 178.88 3i6m h ARG 243 N -0.23 0.61 -0.02 0.20 2.43 -0.98 -0.50 114.38 115.89 3i6m h ARG 243 Ca -0.01 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 58.97 3i6m h ARG 243 Cb 0.21 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3i6m h ARG 243 CO 0.01 0.40 -0.72 0.00 -1.51 0.00 0.00 179.97 178.16 3i6m h ARG 244 N 0.63 0.10 -0.36 0.20 3.08 -1.01 -1.57 114.38 115.45 3i6m h ARG 244 Ca 0.44 -0.09 -0.08 0.00 0.07 0.00 0.00 59.98 60.32 3i6m h ARG 244 Cb 0.59 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 3i6m h ARG 244 CO -0.34 0.77 -0.10 0.00 -1.07 0.00 0.00 179.97 179.23 3i6m h ALA 245 N 1.20 0.50 -0.57 0.04 0.00 -0.10 -1.07 119.26 119.26 3i6m h ALA 245 Ca -0.02 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 3i6m h ALA 245 Cb 1.27 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 3i6m h ALA 245 CO 0.10 0.36 0.23 0.28 0.00 0.00 0.00 179.25 180.22 3i6m h VAL 246 N 0.50 1.22 -0.31 0.00 2.07 -1.09 -1.71 116.25 116.93 3i6m h VAL 246 Ca 0.09 -0.70 -0.06 0.00 0.82 0.00 0.00 66.70 66.85 3i6m h VAL 246 Cb 0.61 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3i6m h VAL 246 CO 0.04 0.27 -0.05 -0.08 0.02 0.00 0.00 177.57 177.77 3i6m h GLU 247 N 0.78 0.49 -0.33 1.57 4.57 -1.18 -0.11 114.58 120.37 3i6m h GLU 247 Ca 0.19 -0.11 -0.03 0.00 -1.18 0.00 0.00 59.36 58.22 3i6m h GLU 247 Cb 0.20 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 3i6m h GLU 247 CO -0.02 0.55 0.08 1.25 -1.18 0.00 0.00 179.01 179.70 3i6m h LEU 248 N 0.46 0.50 -0.80 1.64 5.85 -0.77 -1.33 115.31 120.86 3i6m h LEU 248 Ca 0.10 -0.23 0.08 0.00 0.84 0.00 0.00 57.88 58.66 3i6m h LEU 248 Cb 0.38 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 3i6m h LEU 248 CO 0.02 0.59 0.47 1.23 -0.34 0.00 0.00 178.44 180.41 3i6m h GLY 249 N 0.37 1.21 1.37 3.75 0.00 -0.57 -1.10 103.07 108.11 3i6m h GLY 249 Ca 0.10 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 3i6m h GLY 249 CO 0.00 0.18 0.20 -0.09 0.00 0.00 0.00 176.54 176.83 3i6m h ARG 250 N 0.82 0.81 0.00 4.80 2.43 -0.62 -0.35 114.38 122.27 3i6m h ARG 250 Ca 0.37 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.38 3i6m h ARG 250 Cb 0.26 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3i6m h ARG 250 CO -0.21 0.68 -0.11 -0.91 -1.51 0.00 0.00 179.97 177.91 3i6m h ASN 251 N 0.79 0.00 -0.43 -3.80 2.35 -0.07 -2.80 115.58 111.62 3i6m h ASN 251 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3i6m h ASN 251 Cb 0.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.56 3i6m h ASN 251 CO -0.01 0.11 0.00 0.18 -1.65 0.00 0.00 177.43 176.06 3i6m n LEU 252 N -3.36 4.01 -3.70 1.61 4.77 -0.75 -4.97 117.00 114.62 3i6m n LEU 252 Ca -0.01 -2.54 -0.23 0.00 -0.03 0.00 0.00 56.01 53.20 3i6m n LEU 252 Cb 0.30 -0.48 0.03 0.00 -2.33 0.00 0.00 43.42 40.95 3i6m n LEU 252 CO 0.29 0.74 -0.09 0.59 -1.33 0.00 0.00 177.39 177.59 3i6m n ASN 253 N 0.38 -2.25 -4.96 -1.43 4.13 -0.89 -4.98 115.26 105.27 3i6m n ASN 253 Ca 0.20 -0.88 -0.23 0.00 1.68 0.00 0.00 54.58 55.36 3i6m n ASN 253 Cb 0.78 -3.88 0.02 0.00 -1.54 0.00 0.00 39.78 35.16 3i6m n ASN 253 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i6m s ASN 255 N -4.26 6.96 -0.11 0.00 3.84 -1.26 -4.79 114.94 115.32 3i6m s ASN 255 Ca 0.50 1.19 0.17 0.00 0.21 0.00 0.00 52.86 54.93 3i6m s ASN 255 Cb -0.10 -2.47 0.63 0.00 -0.55 0.00 0.00 41.25 38.76 3i6m s ASN 255 CO 0.38 -0.52 1.54 0.18 -2.79 0.00 0.00 177.10 175.90 3i6m n LEU 256 N 5.80 4.36 0.27 3.21 4.77 -1.26 -2.75 117.00 131.40 3i6m n LEU 256 Ca 0.07 -2.47 0.15 0.00 -0.03 0.00 0.00 56.01 53.73 3i6m n LEU 256 Cb 0.48 -0.52 0.68 0.00 -2.33 0.00 0.00 43.42 41.73 3i6m n LEU 256 CO 0.49 0.78 0.96 0.78 -1.33 0.00 0.00 177.39 179.07 3i6m h ASN 257 N 3.41 0.00 -5.04 -1.43 2.35 -1.96 -3.46 115.58 109.45 3i6m h ASN 257 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 3i6m h ASN 257 Cb 1.35 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.57 3i6m h ASN 257 CO 0.20 0.07 0.01 -0.94 -1.65 0.00 0.00 177.43 175.12 3i6m s SER 258 N -5.83 -0.37 0.31 5.81 1.04 -1.26 -5.00 113.70 108.41 3i6m s SER 258 Ca -0.00 -0.06 0.03 0.00 0.48 0.00 0.00 55.95 56.41 3i6m s SER 258 Cb 0.10 0.50 0.62 0.00 0.10 0.00 0.00 66.02 67.34 3i6m s SER 258 CO 0.56 -0.81 1.89 0.44 0.98 0.00 0.00 173.24 176.30 3i6m h ASP 259 N 2.52 0.83 -0.32 7.02 5.19 -1.95 0.45 116.42 130.16 3i6m h ASP 259 Ca -0.33 0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.08 3i6m h ASP 259 Cb 1.24 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.59 3i6m h ASP 259 CO 0.43 0.49 0.09 -0.33 -3.12 0.00 0.00 179.24 176.80 3i6m h GLU 260 N 0.92 0.51 -0.17 3.56 3.07 -1.96 0.12 114.58 120.63 3i6m h GLU 260 Ca 0.42 -0.12 -0.01 0.00 -0.50 0.00 0.00 59.36 59.16 3i6m h GLU 260 Cb 0.40 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 3i6m h GLU 260 CO -0.19 0.56 0.08 0.93 -1.40 0.00 0.00 179.01 178.99 3i6m h GLU 261 N 0.36 0.24 0.51 2.33 4.39 -1.57 -1.52 114.58 119.32 3i6m h GLU 261 Ca 0.10 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 3i6m h GLU 261 Cb 0.27 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 3i6m h GLU 261 CO -0.00 0.30 -0.27 1.25 -1.16 0.00 0.00 179.01 179.12 3i6m h LEU 262 N 0.13 -0.66 -0.71 1.33 5.85 -0.76 -1.79 115.31 118.70 3i6m h LEU 262 Ca 0.06 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.83 3i6m h LEU 262 Cb 0.14 0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 3i6m h LEU 262 CO -0.01 -0.45 0.45 0.40 -0.34 0.00 0.00 178.44 178.50 3i6m h ILE 263 N -0.72 1.10 -0.38 4.05 2.04 -0.78 -0.08 117.51 122.74 3i6m h ILE 263 Ca -0.06 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 3i6m h ILE 263 Cb 0.57 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 3i6m h ILE 263 CO 0.09 0.16 0.23 -0.74 0.00 0.00 0.00 178.15 177.89 3i6m h HIS 264 N 0.88 0.50 -0.20 1.37 2.76 -1.20 0.93 115.15 120.19 3i6m h HIS 264 Ca 0.28 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.47 3i6m h HIS 264 Cb 0.01 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 3i6m h HIS 264 CO -0.04 0.36 0.07 0.00 -1.30 0.00 0.00 177.93 177.02 3i6m h LEU 266 N 0.17 0.00 -0.57 0.00 3.38 -0.65 -1.58 115.31 116.05 3i6m h LEU 266 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3i6m h LEU 266 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3i6m h LEU 266 CO -0.09 0.12 0.00 0.03 0.09 0.00 0.00 178.44 178.59 3i6m h ARG 267 N 0.00 0.00 0.00 1.13 3.08 -0.03 -3.08 114.38 115.48 3i6m h ARG 267 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3i6m h ARG 267 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3i6m h ARG 267 CO 0.02 0.00 -0.55 0.93 -1.07 0.00 0.00 179.97 179.29 3i6m h GLU 268 N 0.00 0.00 -7.06 0.04 4.39 -0.93 -3.47 114.58 107.55 3i6m h GLU 268 Ca 0.00 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.22 3i6m h GLU 268 Cb 0.69 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.37 3i6m h GLU 268 CO 0.00 0.00 0.40 0.15 -1.16 0.00 0.00 179.01 178.40 3i6m s LYS 269 N -3.17 3.80 0.61 2.33 -0.14 -1.17 -5.02 119.74 116.98 3i6m s LYS 269 Ca 0.07 1.43 -0.15 0.00 -1.36 0.00 0.00 55.97 55.96 3i6m s LYS 269 Cb 0.13 -2.16 -0.03 0.00 -1.68 0.00 0.00 37.83 34.09 3i6m s LYS 269 CO 0.71 -0.44 1.05 0.15 -0.76 0.00 0.00 175.35 176.06 3i6m s LYS 270 N -3.11 3.28 0.18 1.68 1.02 -1.26 -4.95 119.74 116.58 3i6m s LYS 270 Ca 0.66 1.16 -0.17 0.00 0.02 0.00 0.00 55.97 57.64 3i6m s LYS 270 Cb -0.19 -2.03 0.13 0.00 -0.52 0.00 0.00 37.83 35.23 3i6m s LYS 270 CO 0.22 -0.84 1.64 -1.35 -0.92 0.00 0.00 175.35 174.11 3i6m h PRO 271 N 0.27 -0.05 0.00 -1.68 0.11 -1.97 -1.80 132.00 126.88 3i6m h PRO 271 Ca -0.46 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 3i6m h PRO 271 Cb 1.22 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3i6m h PRO 271 CO 0.57 -0.04 -0.00 0.37 -0.21 0.00 0.00 178.00 178.70 3i6m h GLN 272 N -0.06 0.00 -0.41 1.05 5.75 -1.99 -1.38 115.11 118.07 3i6m h GLN 272 Ca 0.22 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.60 3i6m h GLN 272 Cb 0.40 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.94 3i6m h GLN 272 CO -0.51 0.00 -0.24 0.93 -2.65 0.00 0.00 178.83 176.36 3i6m h GLU 273 N 0.00 0.83 -0.14 1.69 5.08 -1.69 -0.14 114.58 120.21 3i6m h GLU 273 Ca -0.00 -0.35 -0.10 0.00 -1.00 0.00 0.00 59.36 57.91 3i6m h GLU 273 Cb 0.01 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3i6m h GLU 273 CO 0.00 0.98 -0.31 -0.07 -1.00 0.00 0.00 179.01 178.61 3i6m h LEU 274 N 0.72 0.52 -1.28 1.33 4.07 -1.28 -3.21 115.31 116.18 3i6m h LEU 274 Ca 0.09 -0.56 -0.02 0.00 0.08 0.00 0.00 57.88 57.46 3i6m h LEU 274 Cb 0.77 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.34 3i6m h LEU 274 CO 0.06 0.99 0.20 0.40 -1.08 0.00 0.00 178.44 179.01 3i6m h ILE 275 N 0.07 1.18 0.00 1.22 2.04 -1.30 -2.32 117.51 118.40 3i6m h ILE 275 Ca 0.00 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 3i6m h ILE 275 Cb 0.91 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 3i6m h ILE 275 CO 0.07 0.22 -0.07 0.44 0.00 0.00 0.00 178.15 178.80 3i6m h ASP 276 N 0.69 0.00 -0.01 1.72 3.32 -1.02 -3.09 116.42 118.03 3i6m h ASP 276 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3i6m h ASP 276 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3i6m h ASP 276 CO -0.02 0.07 0.00 1.33 -1.72 0.00 0.00 179.24 178.91 3i6m n VAL 277 N -3.63 0.59 -0.35 -1.35 0.24 -1.08 -4.78 118.33 107.96 3i6m n VAL 277 Ca -0.02 -0.79 0.13 0.00 -2.04 0.00 0.00 64.34 61.61 3i6m n VAL 277 Cb 0.19 0.71 0.31 0.00 -1.47 0.00 0.00 33.84 33.58 3i6m n VAL 277 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3i6m h GLU 278 N 0.14 0.72 0.00 7.34 4.81 -1.33 -1.21 114.58 125.05 3i6m h GLU 278 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3i6m h GLU 278 Cb 0.31 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.53 3i6m h GLU 278 CO 0.00 0.48 0.00 0.91 -0.73 0.00 0.00 179.01 179.67 3i6m n TRP 279 N -4.79 0.00 1.57 0.92 7.02 -1.26 -3.44 117.44 117.45 3i6m n TRP 279 Ca 0.23 0.00 0.15 0.00 -1.02 0.00 0.00 57.50 56.86 3i6m n TRP 279 Cb 0.57 -0.21 0.71 0.00 -2.42 0.00 0.00 31.31 29.96 3i6m n TRP 279 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3i6m n ASN 280 N -1.21 0.37 -0.40 -0.99 3.02 -0.46 -3.93 115.26 111.66 3i6m n ASN 280 Ca 0.16 -0.69 0.12 0.00 -0.03 0.00 0.00 54.58 54.14 3i6m n ASN 280 Cb 0.20 -0.09 0.10 0.00 -0.61 0.00 0.00 39.78 39.38 3i6m n ASN 280 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3i6m n VAL 281 N -0.92 0.00 -1.82 2.41 0.24 -1.22 -4.97 118.33 112.05 3i6m n VAL 281 Ca 0.17 -0.21 -0.40 0.00 -2.04 0.00 0.00 64.34 61.87 3i6m n VAL 281 Cb 0.24 1.00 0.01 0.00 -1.47 0.00 0.00 33.84 33.62 3i6m n VAL 281 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3i6m s LEU 282 N -2.52 4.12 0.29 1.34 1.43 -1.25 -4.81 118.68 117.28 3i6m s LEU 282 Ca 0.19 2.90 0.15 0.00 -1.03 0.00 0.00 54.13 56.35 3i6m s LEU 282 Cb 0.18 -3.93 0.27 0.00 0.03 0.00 0.00 46.19 42.74 3i6m s LEU 282 CO 0.57 -1.15 1.53 1.55 0.23 0.00 0.00 176.35 179.09 3i6m h PRO 283 N 2.36 0.00 -5.33 1.29 0.13 -1.96 -3.46 132.00 125.03 3i6m h PRO 283 Ca -0.51 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.20 3i6m h PRO 283 Cb 1.26 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.25 3i6m h PRO 283 CO 0.61 0.53 -0.69 -0.06 -0.23 0.00 0.00 178.00 178.16 3i6m s PHE 284 N -3.19 1.68 -0.41 1.56 0.08 -1.26 -5.08 117.98 111.36 3i6m s PHE 284 Ca 0.02 -0.75 -0.29 0.00 0.12 0.00 0.00 56.93 56.03 3i6m s PHE 284 Cb 0.09 -0.91 0.02 0.00 -0.57 0.00 0.00 43.02 41.66 3i6m s PHE 284 CO 0.73 0.17 1.16 0.34 -0.10 0.00 0.00 175.22 177.53 3i6m s ASP 285 N -3.33 6.70 0.34 1.36 2.15 -1.26 -4.94 116.67 117.68 3i6m s ASP 285 Ca 0.26 0.74 -0.10 0.00 0.43 0.00 0.00 52.55 53.88 3i6m s ASP 285 Cb 0.03 -2.55 0.02 0.00 -0.30 0.00 0.00 42.92 40.12 3i6m s ASP 285 CO 0.08 -1.14 0.59 -0.94 -0.17 0.00 0.00 175.17 173.59 3i6m s SER 286 N 2.37 0.37 0.13 -0.34 1.04 -1.26 -4.65 113.70 111.36 3i6m s SER 286 Ca 0.49 -1.22 0.04 0.00 0.48 0.00 0.00 55.95 55.74 3i6m s SER 286 Cb -0.10 0.72 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 3i6m s SER 286 CO 0.26 -1.40 -0.11 0.27 0.98 0.00 0.00 173.24 173.24 3i6m s ILE 287 N -3.03 1.11 -1.40 -1.02 -4.36 -1.00 -4.81 121.20 106.68 3i6m s ILE 287 Ca 0.23 -1.87 -0.06 0.00 -0.26 0.00 0.00 60.65 58.69 3i6m s ILE 287 Cb -0.02 -1.64 0.01 0.00 1.25 0.00 0.00 42.46 42.06 3i6m s ILE 287 CO 0.15 -0.64 0.83 0.33 0.24 0.00 0.00 174.94 175.85 3i6m n PHE 288 N 0.16 -2.28 -4.01 1.37 -0.00 -1.26 -4.80 117.46 106.63 3i6m n PHE 288 Ca -0.13 0.72 -0.18 0.00 -0.00 0.00 0.00 57.45 57.86 3i6m n PHE 288 Cb 0.59 -4.59 -0.16 0.00 -0.00 0.00 0.00 39.48 35.32 3i6m n PHE 288 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3i6m s ARG 289 N -5.93 0.46 0.08 -4.13 1.81 -1.26 -4.67 118.95 105.31 3i6m s ARG 289 Ca 0.41 0.01 0.09 0.00 -1.72 0.00 0.00 55.73 54.52 3i6m s ARG 289 Cb -0.18 -0.58 -0.03 0.00 -0.45 0.00 0.00 34.95 33.71 3i6m s ARG 289 CO 0.51 -0.10 -0.25 -0.06 -0.68 0.00 0.00 175.30 174.72 3i6m s PHE 290 N 0.91 2.14 0.04 -0.53 0.08 -1.26 -5.06 117.98 114.30 3i6m s PHE 290 Ca -0.10 -0.40 -0.31 0.00 0.12 0.00 0.00 56.93 56.25 3i6m s PHE 290 Cb -0.13 -1.23 -0.18 0.00 -0.57 0.00 0.00 43.02 40.91 3i6m s PHE 290 CO -0.01 0.19 1.43 0.77 -0.10 0.00 0.00 175.22 177.50 3i6m h SER 291 N 4.44 -0.75 -3.68 1.36 0.02 -1.91 -3.42 113.55 109.62 3i6m h SER 291 Ca -0.47 -0.01 -0.69 0.00 -0.84 0.00 0.00 61.79 59.79 3i6m h SER 291 Cb 1.16 0.19 -0.30 0.00 0.14 0.00 0.00 62.40 63.59 3i6m h SER 291 CO 0.42 -0.45 -0.66 -0.36 -1.14 0.00 0.00 176.83 174.63 3i6m s PHE 292 N -5.47 3.21 0.26 3.45 0.08 -1.26 -5.01 117.98 113.24 3i6m s PHE 292 Ca -0.16 -1.55 0.03 0.00 0.12 0.00 0.00 56.93 55.36 3i6m s PHE 292 Cb 0.03 -2.18 -0.04 0.00 -0.57 0.00 0.00 43.02 40.26 3i6m s PHE 292 CO 0.56 -0.74 0.18 0.14 -0.10 0.00 0.00 175.22 175.26 3i6m s VAL 293 N 1.35 0.08 0.48 -0.44 -7.23 -1.26 -4.47 120.40 108.91 3i6m s VAL 293 Ca -0.02 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 57.93 3i6m s VAL 293 Cb -0.19 -2.51 -0.10 0.00 0.56 0.00 0.00 36.38 34.15 3i6m s VAL 293 CO 0.00 0.00 0.79 -2.65 -0.31 0.00 0.00 175.10 172.93 3i6m n PRO 294 N -0.45 0.91 -5.08 4.82 -0.02 -1.24 -4.71 135.00 129.23 3i6m n PRO 294 Ca 0.03 0.33 -0.32 0.00 -2.02 0.00 0.00 63.50 61.53 3i6m n PRO 294 Cb 0.65 -1.86 -0.15 0.00 -0.02 0.00 0.00 33.50 32.12 3i6m n PRO 294 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3i6m s VAL 295 N -1.45 2.59 -0.97 -1.45 -7.23 -1.26 -1.32 120.40 109.30 3i6m s VAL 295 Ca 0.66 -0.90 -0.24 0.00 -1.81 0.00 0.00 61.98 59.70 3i6m s VAL 295 Cb -0.52 -1.97 0.04 0.00 0.56 0.00 0.00 36.38 34.48 3i6m s VAL 295 CO 0.55 0.58 1.46 -0.63 -0.31 0.00 0.00 175.10 176.76 3i6m s ILE 296 N -0.58 3.86 -0.74 -0.62 -1.09 -0.80 -4.78 121.20 116.46 3i6m s ILE 296 Ca 0.08 -0.59 0.23 0.00 -2.23 0.00 0.00 60.65 58.14 3i6m s ILE 296 Cb -0.11 -4.97 -0.14 0.00 -1.58 0.00 0.00 42.46 35.66 3i6m s ILE 296 CO 0.01 -1.86 1.01 -0.90 -1.23 0.00 0.00 174.94 171.97 3i6m n ASP 297 N 9.30 0.66 0.00 3.58 5.75 -1.26 -4.21 116.55 130.37 3i6m n ASP 297 Ca 0.30 -0.42 0.00 0.00 -0.01 0.00 0.00 54.79 54.66 3i6m n ASP 297 Cb 0.51 0.85 0.00 0.00 -1.03 0.00 0.00 41.12 41.45 3i6m n ASP 297 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i6m n GLY 298 N 1.42 0.79 0.85 6.12 0.00 0.42 -4.87 105.19 109.91 3i6m n GLY 298 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3i6m n GLY 298 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i6m n GLU 299 N -2.25 0.00 -0.24 1.61 1.02 -1.26 -4.45 120.64 115.07 3i6m n GLU 299 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.08 3i6m n GLU 299 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 31.44 31.46 3i6m n GLU 299 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3i6m h PHE 300 N 0.00 0.96 -3.68 -0.32 3.04 -1.91 -3.35 116.94 111.67 3i6m h PHE 300 Ca 0.00 -0.05 -0.68 0.00 3.98 0.00 0.00 57.97 61.22 3i6m h PHE 300 Cb 0.00 -0.30 -0.31 0.00 2.56 0.00 0.00 35.95 37.91 3i6m h PHE 300 CO 0.00 0.72 -0.68 -0.06 -2.02 0.00 0.00 178.31 176.27 3i6m s PHE 301 N -5.70 3.21 0.17 0.41 0.08 -1.26 -4.32 117.98 110.56 3i6m s PHE 301 Ca -0.13 -1.59 -0.15 0.00 0.12 0.00 0.00 56.93 55.18 3i6m s PHE 301 Cb 0.14 -2.16 0.08 0.00 -0.57 0.00 0.00 43.02 40.51 3i6m s PHE 301 CO 0.80 -0.74 1.79 -1.35 -0.10 0.00 0.00 175.22 175.61 3i6m h PRO 302 N 8.08 0.46 0.00 0.24 0.11 -1.78 0.12 132.00 139.23 3i6m h PRO 302 Ca -0.25 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.75 3i6m h PRO 302 Cb 1.08 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 3i6m h PRO 302 CO 0.57 0.30 -0.07 0.25 -0.21 0.00 0.00 178.00 178.84 3i6m n THR 303 N -4.88 0.00 -1.68 -1.15 -2.24 -1.26 -4.40 114.28 98.67 3i6m n THR 303 Ca 0.02 -0.38 -0.37 0.00 -2.27 0.00 0.00 64.05 61.05 3i6m n THR 303 Cb 0.09 0.17 0.06 0.00 -2.10 0.00 0.00 70.33 68.56 3i6m n THR 303 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3i6m n SER 304 N -2.56 1.56 -0.23 3.42 3.41 -1.26 -4.81 113.62 113.15 3i6m n SER 304 Ca 0.01 0.83 -0.01 0.00 -0.26 0.00 0.00 58.87 59.43 3i6m n SER 304 Cb 0.10 -1.49 0.20 0.00 -0.26 0.00 0.00 64.21 62.76 3i6m n SER 304 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3i6m h LEU 305 N 0.55 0.91 -0.63 1.04 3.38 -1.98 -1.90 115.31 116.69 3i6m h LEU 305 Ca -0.50 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.34 3i6m h LEU 305 Cb 1.35 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 3i6m h LEU 305 CO 0.52 0.72 0.10 -0.08 0.09 0.00 0.00 178.44 179.79 3i6m h GLU 306 N 1.04 1.04 -0.09 1.13 4.57 -1.99 0.65 114.58 120.93 3i6m h GLU 306 Ca 0.27 -0.28 -0.14 0.00 -1.18 0.00 0.00 59.36 58.03 3i6m h GLU 306 Cb -0.01 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 3i6m h GLU 306 CO -0.05 0.96 -0.57 0.66 -1.18 0.00 0.00 179.01 178.83 3i6m h SER 307 N 0.95 0.30 -0.41 1.04 4.64 -1.84 0.27 113.55 118.50 3i6m h SER 307 Ca 0.19 -0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 61.30 3i6m h SER 307 Cb 0.43 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 3i6m h SER 307 CO 0.01 0.81 0.06 0.24 -0.87 0.00 0.00 176.83 177.08 3i6m h MET 308 N 0.20 0.67 -0.63 4.77 2.86 -1.02 -1.34 114.93 120.44 3i6m h MET 308 Ca -0.00 -0.18 -0.05 0.00 -2.06 0.00 0.00 59.70 57.41 3i6m h MET 308 Cb 1.07 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.62 3i6m h MET 308 CO 0.09 0.72 0.21 -0.07 1.06 0.00 0.00 176.91 178.92 3i6m h LEU 309 N 0.52 0.91 -0.82 1.22 3.38 -0.65 -1.06 115.31 118.82 3i6m h LEU 309 Ca 0.12 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 3i6m h LEU 309 Cb 0.38 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3i6m h LEU 309 CO 0.01 0.87 -0.14 0.78 0.09 0.00 0.00 178.44 180.05 3i6m h ASN 310 N 0.91 0.73 0.21 -0.43 2.35 -0.76 -3.17 115.58 115.42 3i6m h ASN 310 Ca 0.21 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3i6m h ASN 310 Cb 0.27 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.44 3i6m h ASN 310 CO -0.01 0.89 -0.26 -1.54 -1.65 0.00 0.00 177.43 174.85 3i6m n SER 311 N -4.15 1.11 0.00 5.81 3.41 -0.52 -4.94 113.62 114.34 3i6m n SER 311 Ca 0.01 -0.95 0.00 0.00 -0.26 0.00 0.00 58.87 57.67 3i6m n SER 311 Cb 0.38 0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 3i6m n SER 311 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i6m n GLY 312 N 1.34 0.43 3.32 5.00 0.00 -0.85 -4.94 105.19 109.48 3i6m n GLY 312 Ca 0.12 -0.94 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 3i6m n GLY 312 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i6m n ASN 313 N 1.71 4.64 -3.58 1.61 5.15 -0.46 -4.82 115.26 119.51 3i6m n ASN 313 Ca 0.00 -2.90 -0.06 0.00 -0.60 0.00 0.00 54.58 51.02 3i6m n ASN 313 Cb 0.00 -1.71 -0.02 0.00 -0.53 0.00 0.00 39.78 37.52 3i6m n ASN 313 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 3i6m s PHE 314 N 3.76 -0.24 0.18 1.20 -0.12 -1.26 -4.70 117.98 116.79 3i6m s PHE 314 Ca 0.51 0.09 -0.32 0.00 -0.05 0.00 0.00 56.93 57.17 3i6m s PHE 314 Cb 0.07 0.55 -0.11 0.00 -0.63 0.00 0.00 43.02 42.90 3i6m s PHE 314 CO 0.03 -0.51 1.61 0.21 -0.05 0.00 0.00 175.22 176.51 3i6m s LYS 315 N -2.97 4.19 -0.32 1.99 2.20 0.08 -4.96 119.74 119.94 3i6m s LYS 315 Ca 0.08 2.44 -0.10 0.00 -0.36 0.00 0.00 55.97 58.03 3i6m s LYS 315 Cb -0.01 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 3i6m s LYS 315 CO -0.06 -0.65 0.16 0.15 -0.36 0.00 0.00 175.35 174.59 3i6m s LYS 316 N 1.12 3.22 0.00 4.03 1.02 -1.26 -4.97 119.74 122.90 3i6m s LYS 316 Ca 0.71 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.91 3i6m s LYS 316 Cb -0.46 -3.58 0.00 0.00 -0.52 0.00 0.00 37.83 33.28 3i6m s LYS 316 CO 0.32 -0.47 0.00 -2.37 -0.92 0.00 0.00 175.35 171.91 3i6m n THR 317 N 4.97 0.00 -3.90 2.17 5.66 -1.26 -4.78 114.28 117.14 3i6m n THR 317 Ca -0.14 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.57 3i6m n THR 317 Cb 0.48 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.23 3i6m n THR 317 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 3i6m s GLN 318 N 1.11 3.46 0.00 1.09 1.11 -1.26 -1.07 119.66 124.10 3i6m s GLN 318 Ca 0.00 -0.45 -0.04 0.00 0.01 0.00 0.00 55.36 54.88 3i6m s GLN 318 Cb 0.00 -3.00 -0.00 0.00 -1.01 0.00 0.00 33.01 29.00 3i6m s GLN 318 CO 0.00 0.57 0.08 0.96 0.01 0.00 0.00 175.29 176.91 3i6m s ILE 319 N -1.59 0.08 -0.08 1.08 -4.36 0.28 -3.12 121.20 113.48 3i6m s ILE 319 Ca 0.35 -0.69 0.01 0.00 -0.26 0.00 0.00 60.65 60.07 3i6m s ILE 319 Cb -0.12 -0.34 0.02 0.00 1.25 0.00 0.00 42.46 43.26 3i6m s ILE 319 CO 0.28 -0.38 -0.10 -0.22 0.24 0.00 0.00 174.94 174.76 3i6m s LEU 320 N -1.25 1.44 0.23 0.37 0.20 -0.70 -1.34 118.68 117.63 3i6m s LEU 320 Ca -0.14 -0.28 -0.15 0.00 0.69 0.00 0.00 54.13 54.25 3i6m s LEU 320 Cb -0.08 -0.80 0.01 0.00 -0.43 0.00 0.00 46.19 44.89 3i6m s LEU 320 CO 0.01 -0.03 0.51 -1.48 -0.29 0.00 0.00 176.35 175.06 3i6m s LEU 321 N 1.08 0.23 0.00 -0.68 2.34 -0.19 -1.18 118.68 120.28 3i6m s LEU 321 Ca -0.07 -0.74 0.00 0.00 0.06 0.00 0.00 54.13 53.38 3i6m s LEU 321 Cb -0.14 1.96 0.00 0.00 -0.56 0.00 0.00 46.19 47.44 3i6m s LEU 321 CO -0.01 -1.12 0.00 0.61 -1.06 0.00 0.00 176.35 174.77 3i6m n GLY 322 N -0.36 -1.19 3.37 -3.48 0.00 -1.04 -1.34 105.19 101.15 3i6m n GLY 322 Ca -0.05 -1.01 -0.19 0.00 0.00 0.00 0.00 46.02 44.77 3i6m n GLY 322 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i6m s VAL 323 N -2.08 0.73 0.17 1.61 -7.23 -1.00 -1.04 120.40 111.56 3i6m s VAL 323 Ca 0.00 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.21 3i6m s VAL 323 Cb 0.00 -2.67 -0.03 0.00 0.56 0.00 0.00 36.38 34.24 3i6m s VAL 323 CO 0.00 0.00 0.26 0.20 -0.31 0.00 0.00 175.10 175.25 3i6m s ASN 324 N -3.38 6.15 0.21 4.85 0.01 -1.26 -0.32 114.94 121.20 3i6m s ASN 324 Ca 0.37 0.08 -0.10 0.00 -0.71 0.00 0.00 52.86 52.50 3i6m s ASN 324 Cb 0.08 -1.79 0.19 0.00 0.41 0.00 0.00 41.25 40.13 3i6m s ASN 324 CO 0.15 0.03 1.86 0.50 -1.51 0.00 0.00 177.10 178.12 3i6m h LYS 325 N 2.01 0.88 -2.23 -0.60 3.64 -1.35 -3.32 116.57 115.60 3i6m h LYS 325 Ca -0.49 -0.05 -0.60 0.00 -1.27 0.00 0.00 60.65 58.24 3i6m h LYS 325 Cb 1.20 -0.20 -0.42 0.00 -0.41 0.00 0.00 32.23 32.41 3i6m h LYS 325 CO 0.66 0.58 -0.59 -0.25 -2.27 0.00 0.00 179.45 177.58 3i6m n ASP 326 N -4.63 4.08 -0.07 4.20 8.00 -0.49 -4.90 116.55 122.74 3i6m n ASP 326 Ca 0.08 -3.54 0.04 0.00 0.71 0.00 0.00 54.79 52.08 3i6m n ASP 326 Cb 0.07 -0.64 0.39 0.00 -0.02 0.00 0.00 41.12 40.92 3i6m n ASP 326 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3i6m h GLU 327 N 3.75 0.63 0.00 -1.24 4.39 -1.73 -3.20 114.58 117.19 3i6m h GLU 327 Ca 0.18 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.80 3i6m h GLU 327 Cb 0.60 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 3i6m h GLU 327 CO 0.84 0.42 -0.17 0.78 -1.16 0.00 0.00 179.01 179.71 3i6m h GLY 328 N 0.65 0.00 0.38 -3.84 0.00 -1.84 -3.39 103.07 95.03 3i6m h GLY 328 Ca 0.21 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.65 3i6m h GLY 328 CO -0.05 0.00 0.43 1.48 0.00 0.00 0.00 176.54 178.40 3i6m h SER 329 N 0.00 0.56 -0.76 0.19 4.64 -1.79 -2.29 113.55 114.10 3i6m h SER 329 Ca -0.00 0.07 0.08 0.00 -0.47 0.00 0.00 61.79 61.47 3i6m h SER 329 Cb 1.00 -0.03 -0.06 0.00 -0.31 0.00 0.00 62.40 63.00 3i6m h SER 329 CO 0.02 0.28 0.43 0.15 -0.87 0.00 0.00 176.83 176.84 3i6m h PHE 330 N 0.67 0.78 -0.09 4.77 3.04 -1.82 -1.42 116.94 122.87 3i6m h PHE 330 Ca 0.42 0.03 -0.17 0.00 3.98 0.00 0.00 57.97 62.23 3i6m h PHE 330 Cb 0.49 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.76 3i6m h PHE 330 CO -0.09 0.35 -0.66 0.74 -2.02 0.00 0.00 178.31 176.63 3i6m h PHE 331 N 0.75 0.49 -0.30 0.41 -1.00 -1.69 -2.93 116.94 112.68 3i6m h PHE 331 Ca 0.35 -0.20 -0.15 0.00 2.81 0.00 0.00 57.97 60.78 3i6m h PHE 331 Cb 0.27 -0.08 -0.00 0.00 3.61 0.00 0.00 35.95 39.75 3i6m h PHE 331 CO -0.07 0.92 -0.40 -0.07 -1.61 0.00 0.00 178.31 177.08 3i6m h LEU 332 N 0.27 0.87 -0.53 1.54 3.38 -1.07 -1.59 115.31 118.17 3i6m h LEU 332 Ca -0.02 -0.50 0.08 0.00 0.09 0.00 0.00 57.88 57.53 3i6m h LEU 332 Cb 1.21 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.65 3i6m h LEU 332 CO 0.11 1.20 0.17 0.25 0.09 0.00 0.00 178.44 180.26 3i6m h LEU 333 N 0.56 0.14 -0.19 1.67 5.85 -1.25 0.40 115.31 122.48 3i6m h LEU 333 Ca 0.03 0.07 -0.16 0.00 0.84 0.00 0.00 57.88 58.67 3i6m h LEU 333 Cb 1.00 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 3i6m h LEU 333 CO 0.09 0.10 -0.76 1.88 -0.34 0.00 0.00 178.44 179.42 3i6m h TYR 334 N 0.33 0.00 0.00 1.25 -1.99 -1.46 -3.42 116.97 111.69 3i6m h TYR 334 Ca 0.26 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.99 3i6m h TYR 334 Cb 0.31 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.04 3i6m h TYR 334 CO -0.18 0.76 0.00 0.41 -0.00 0.00 0.00 178.16 179.15 3i6m n GLY 335 N 1.06 -0.44 3.62 3.88 0.00 -0.61 -5.07 105.19 107.63 3i6m n GLY 335 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3i6m n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i6m s ALA 336 N -0.11 3.17 0.40 4.61 0.00 0.10 -4.96 121.76 124.97 3i6m s ALA 336 Ca 0.00 -0.82 -0.27 0.00 0.00 0.00 0.00 51.96 50.87 3i6m s ALA 336 Cb 0.00 -1.49 -0.10 0.00 0.00 0.00 0.00 23.12 21.54 3i6m s ALA 336 CO 0.00 0.46 1.41 -1.25 0.00 0.00 0.00 175.76 176.38 3i6m s PRO 337 N -0.47 3.97 0.00 0.00 0.04 -1.26 -3.02 135.00 134.26 3i6m s PRO 337 Ca 0.08 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.51 3i6m s PRO 337 Cb -0.12 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.58 3i6m s PRO 337 CO 0.02 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 176.90 3i6m n GLY 338 N 0.59 2.24 3.85 0.56 0.00 -1.26 -4.91 105.19 106.25 3i6m n GLY 338 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 3i6m n GLY 338 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i6m s PHE 339 N -2.61 3.59 0.04 1.61 0.40 -1.17 -4.64 117.98 115.20 3i6m s PHE 339 Ca 0.00 0.57 -0.14 0.00 -0.60 0.00 0.00 56.93 56.76 3i6m s PHE 339 Cb 0.00 -2.03 0.02 0.00 0.51 0.00 0.00 43.02 41.52 3i6m s PHE 339 CO 0.00 0.65 0.32 -1.54 0.70 0.00 0.00 175.22 175.34 3i6m s SER 340 N -0.78 -0.14 0.34 1.36 1.04 -1.26 -4.87 113.70 109.37 3i6m s SER 340 Ca 0.15 -0.17 0.03 0.00 0.48 0.00 0.00 55.95 56.44 3i6m s SER 340 Cb -0.13 0.37 0.60 0.00 0.10 0.00 0.00 66.02 66.96 3i6m s SER 340 CO 0.04 -0.62 1.93 0.50 0.98 0.00 0.00 173.24 176.07 3i6m h LYS 341 N 3.19 0.68 -0.67 4.02 3.64 -1.99 -3.24 116.57 122.21 3i6m h LYS 341 Ca -0.32 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 3i6m h LYS 341 Cb 1.20 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 3i6m h LYS 341 CO 0.46 0.57 0.00 -0.25 -2.27 0.00 0.00 179.45 177.96 3i6m n ASP 342 N -4.35 4.09 -4.47 4.20 8.00 -1.26 -4.44 116.55 118.31 3i6m n ASP 342 Ca 0.04 -2.14 -0.22 0.00 0.71 0.00 0.00 54.79 53.17 3i6m n ASP 342 Cb 0.16 -0.49 -0.11 0.00 -0.02 0.00 0.00 41.12 40.66 3i6m n ASP 342 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3i6m s SER 343 N -0.99 2.65 0.04 -2.24 1.04 -1.23 -5.01 113.70 107.96 3i6m s SER 343 Ca 0.47 -1.34 0.20 0.00 0.48 0.00 0.00 55.95 55.76 3i6m s SER 343 Cb 0.26 -0.14 0.85 0.00 0.10 0.00 0.00 66.02 67.09 3i6m s SER 343 CO 0.29 -0.54 1.64 -0.62 0.98 0.00 0.00 173.24 174.99 3i6m n GLU 344 N -0.71 0.03 -3.66 4.02 1.02 -1.26 -4.73 120.64 115.36 3i6m n GLU 344 Ca -0.03 0.19 -0.21 0.00 -0.02 0.00 0.00 57.16 57.09 3i6m n GLU 344 Cb 0.66 -1.55 0.05 0.00 -0.02 0.00 0.00 31.44 30.58 3i6m n GLU 344 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3i6m n SER 345 N -1.61 -1.97 -4.71 1.62 7.64 -1.26 -4.85 113.62 108.48 3i6m n SER 345 Ca 0.05 -0.76 -0.42 0.00 1.01 0.00 0.00 58.87 58.75 3i6m n SER 345 Cb 0.24 -4.33 -0.03 0.00 -1.01 0.00 0.00 64.21 59.08 3i6m n SER 345 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3i6m s LYS 346 N -5.92 4.31 -0.21 1.43 1.02 -1.26 -4.71 119.74 114.40 3i6m s LYS 346 Ca 0.10 2.06 -0.12 0.00 0.02 0.00 0.00 55.97 58.02 3i6m s LYS 346 Cb -0.05 -3.32 -0.05 0.00 -0.52 0.00 0.00 37.83 33.90 3i6m s LYS 346 CO 0.79 -0.46 0.22 0.42 -0.92 0.00 0.00 175.35 175.39 3i6m s ILE 347 N 1.37 5.33 0.95 2.17 -1.09 -0.32 -4.95 121.20 124.66 3i6m s ILE 347 Ca 0.65 0.33 -0.12 0.00 -2.23 0.00 0.00 60.65 59.28 3i6m s ILE 347 Cb -0.36 -3.56 0.16 0.00 -1.58 0.00 0.00 42.46 37.13 3i6m s ILE 347 CO 0.30 0.35 1.09 -0.94 -1.23 0.00 0.00 174.94 174.51 3i6m s SER 348 N 0.82 3.00 0.21 3.58 1.04 -1.26 -4.27 113.70 116.82 3i6m s SER 348 Ca 0.11 1.40 -0.07 0.00 0.48 0.00 0.00 55.95 57.87 3i6m s SER 348 Cb -0.13 -2.07 0.15 0.00 0.10 0.00 0.00 66.02 64.07 3i6m s SER 348 CO 0.04 -2.92 1.69 -0.09 0.98 0.00 0.00 173.24 172.93 3i6m h ARG 349 N -1.74 1.02 -0.61 4.02 9.65 -1.93 -1.09 114.38 123.69 3i6m h ARG 349 Ca -0.52 -0.30 -0.09 0.00 -1.10 0.00 0.00 59.98 57.97 3i6m h ARG 349 Cb 1.30 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.75 3i6m h ARG 349 CO 0.55 0.98 0.01 0.93 2.80 0.00 0.00 179.97 185.24 3i6m h GLU 350 N 0.94 1.05 0.00 0.20 3.07 -1.99 -1.97 114.58 115.88 3i6m h GLU 350 Ca 0.18 -0.32 -0.10 0.00 -0.50 0.00 0.00 59.36 58.61 3i6m h GLU 350 Cb 0.50 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 3i6m h GLU 350 CO 0.02 1.02 -0.48 -0.44 -1.40 0.00 0.00 179.01 177.73 3i6m h ASP 351 N 0.97 0.00 0.03 1.42 3.32 -1.85 -1.60 116.42 118.70 3i6m h ASP 351 Ca 0.18 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 3i6m h ASP 351 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 3i6m h ASP 351 CO 0.03 0.48 -0.01 0.15 -1.72 0.00 0.00 179.24 178.16 3i6m h PHE 352 N 0.00 -0.04 -0.50 4.55 3.57 -0.83 0.93 116.94 124.62 3i6m h PHE 352 Ca -0.00 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.56 3i6m h PHE 352 Cb 0.96 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.65 3i6m h PHE 352 CO 0.00 0.15 0.17 0.52 -2.23 0.00 0.00 178.31 176.93 3i6m h MET 353 N -0.22 0.34 -0.74 1.11 2.86 -1.15 0.49 114.93 117.61 3i6m h MET 353 Ca -0.00 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3i6m h MET 353 Cb 0.20 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.75 3i6m h MET 353 CO 0.01 0.22 0.49 0.77 1.06 0.00 0.00 176.91 179.46 3i6m h SER 354 N 0.35 0.85 -0.71 1.22 0.02 -1.06 -2.50 113.55 111.72 3i6m h SER 354 Ca 0.24 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 3i6m h SER 354 Cb 0.27 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 3i6m h SER 354 CO -0.25 0.61 0.33 1.23 -1.14 0.00 0.00 176.83 177.61 3i6m h GLY 355 N 1.00 1.10 0.99 -3.77 0.00 0.65 -1.53 103.07 101.50 3i6m h GLY 355 Ca 0.27 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 3i6m h GLY 355 CO -0.06 0.53 0.26 -2.08 0.00 0.00 0.00 176.54 175.19 3i6m h VAL 356 N 0.99 1.14 -0.22 4.60 2.07 -0.77 0.96 116.25 125.03 3i6m h VAL 356 Ca 0.24 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.47 3i6m h VAL 356 Cb 0.14 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 3i6m h VAL 356 CO -0.03 0.14 0.07 0.50 0.02 0.00 0.00 177.57 178.28 3i6m h LYS 357 N 0.58 0.17 -0.37 1.57 3.11 -1.21 -1.87 116.57 118.55 3i6m h LYS 357 Ca 0.16 -0.01 -0.05 0.00 -2.81 0.00 0.00 60.65 57.94 3i6m h LYS 357 Cb -0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.17 3i6m h LYS 357 CO -0.03 0.11 0.04 -0.07 -2.81 0.00 0.00 179.45 176.69 3i6m h LEU 358 N 0.17 0.53 -0.70 5.20 3.38 -0.89 -3.14 115.31 119.86 3i6m h LEU 358 Ca 0.09 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3i6m h LEU 358 Cb 0.06 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3i6m h LEU 358 CO -0.10 0.57 -0.51 0.28 0.09 0.00 0.00 178.44 178.78 3i6m h SER 359 N 0.55 0.00 -2.08 -0.43 0.02 -0.20 -2.66 113.55 108.74 3i6m h SER 359 Ca 0.12 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.51 3i6m h SER 359 Cb 0.30 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 62.43 3i6m h SER 359 CO 0.01 0.51 -0.94 0.52 -1.14 0.00 0.00 176.83 175.78 3i6m n VAL 360 N -3.56 0.67 -0.25 2.27 0.31 -0.76 -4.91 118.33 112.11 3i6m n VAL 360 Ca -0.00 -4.65 0.21 0.00 -0.01 0.00 0.00 64.34 59.89 3i6m n VAL 360 Cb 0.60 -1.54 0.54 0.00 -0.91 0.00 0.00 33.84 32.53 3i6m n VAL 360 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3i6m h PRO 361 N 3.68 0.34 -0.00 5.55 0.13 -1.68 -1.86 132.00 138.17 3i6m h PRO 361 Ca 0.12 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3i6m h PRO 361 Cb 0.80 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3i6m h PRO 361 CO 0.61 0.23 -0.01 -2.39 -0.23 0.00 0.00 178.00 176.20 3i6m n HIS 362 N -4.50 0.00 -3.13 1.56 1.44 -1.26 -4.89 115.22 104.44 3i6m n HIS 362 Ca 0.20 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.54 3i6m n HIS 362 Cb 0.76 -0.07 -0.06 0.00 0.12 0.00 0.00 29.99 30.74 3i6m n HIS 362 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3i6m s ALA 363 N -2.15 3.46 0.85 1.59 0.00 -0.70 -5.09 121.76 119.73 3i6m s ALA 363 Ca 0.41 0.15 -0.10 0.00 0.00 0.00 0.00 51.96 52.42 3i6m s ALA 363 Cb 0.21 -2.79 0.16 0.00 0.00 0.00 0.00 23.12 20.71 3i6m s ALA 363 CO 0.39 0.35 1.18 0.54 0.00 0.00 0.00 175.76 178.22 3i6m s ASN 364 N -1.48 3.74 0.22 0.00 2.20 -1.26 -4.77 114.94 113.59 3i6m s ASN 364 Ca 0.39 0.10 -0.07 0.00 -0.94 0.00 0.00 52.86 52.34 3i6m s ASN 364 Cb -0.18 -0.33 0.33 0.00 -2.00 0.00 0.00 41.25 39.07 3i6m s ASN 364 CO 0.21 -2.31 1.77 0.44 -2.94 0.00 0.00 177.10 174.27 3i6m h ASP 365 N -1.16 0.40 -0.77 3.54 5.19 -1.99 0.23 116.42 121.87 3i6m h ASP 365 Ca -0.42 0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.05 3i6m h ASP 365 Cb 1.26 0.01 -0.04 0.00 0.18 0.00 0.00 39.33 40.74 3i6m h ASP 365 CO 0.42 0.22 0.43 0.25 -3.12 0.00 0.00 179.24 177.45 3i6m h LEU 366 N 0.55 0.95 -0.35 1.55 6.46 -1.99 0.63 115.31 123.11 3i6m h LEU 366 Ca 0.35 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 58.02 3i6m h LEU 366 Cb 0.39 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.06 3i6m h LEU 366 CO -0.29 0.76 0.22 1.23 -0.62 0.00 0.00 178.44 179.75 3i6m h GLY 367 N 1.06 0.50 1.14 3.75 0.00 -1.60 0.52 103.07 108.44 3i6m h GLY 367 Ca 0.27 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 3i6m h GLY 367 CO -0.05 0.19 0.40 1.41 0.00 0.00 0.00 176.54 178.50 3i6m h LEU 368 N 0.46 1.01 -0.69 3.11 3.38 -0.47 -0.93 115.31 121.19 3i6m h LEU 368 Ca 0.13 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3i6m h LEU 368 Cb -0.02 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 3i6m h LEU 368 CO -0.03 0.83 0.28 0.44 0.09 0.00 0.00 178.44 180.06 3i6m h ASP 369 N 1.12 0.95 -0.35 -0.43 3.32 -0.32 -1.02 116.42 119.67 3i6m h ASP 369 Ca 0.28 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 57.16 3i6m h ASP 369 Cb 0.08 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 3i6m h ASP 369 CO -0.04 0.86 0.23 0.00 -1.72 0.00 0.00 179.24 178.57 3i6m h ALA 370 N 1.13 0.44 0.28 3.45 0.00 -0.18 0.20 119.26 124.58 3i6m h ALA 370 Ca 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3i6m h ALA 370 Cb 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3i6m h ALA 370 CO -0.02 -0.10 -0.13 0.28 0.00 0.00 0.00 179.25 179.27 3i6m h VAL 371 N 0.46 0.74 -0.53 0.00 2.07 -0.96 -1.58 116.25 116.46 3i6m h VAL 371 Ca 0.13 -0.12 0.10 0.00 0.82 0.00 0.00 66.70 67.63 3i6m h VAL 371 Cb -0.04 0.82 -0.08 0.00 -1.52 0.00 0.00 31.29 30.46 3i6m h VAL 371 CO -0.04 0.03 0.05 0.74 0.02 0.00 0.00 177.57 178.37 3i6m h THR 372 N -0.44 0.63 -0.57 2.57 2.02 -1.00 -1.33 112.91 114.80 3i6m h THR 372 Ca -0.04 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 3i6m h THR 372 Cb 0.33 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 3i6m h THR 372 CO 0.06 0.03 0.31 0.25 0.37 0.00 0.00 175.52 176.55 3i6m h LEU 373 N 0.17 0.71 -1.95 2.58 5.85 -0.81 -1.20 115.31 120.65 3i6m h LEU 373 Ca 0.27 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 3i6m h LEU 373 Cb 0.40 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 3i6m h LEU 373 CO -0.40 0.60 -0.08 -0.61 -0.34 0.00 0.00 178.44 177.61 3i6m h GLN 374 N 0.77 0.00 -0.27 1.25 5.75 -0.24 -3.03 115.11 119.34 3i6m h GLN 374 Ca 0.20 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.70 3i6m h GLN 374 Cb 0.05 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.60 3i6m h GLN 374 CO -0.03 0.08 0.00 0.66 -2.65 0.00 0.00 178.83 176.88 3i6m n TYR 375 N -4.24 0.38 -4.31 3.99 4.02 -0.71 -4.99 117.16 111.30 3i6m n TYR 375 Ca -0.03 -0.52 -0.34 0.00 -0.01 0.00 0.00 57.90 57.01 3i6m n TYR 375 Cb 0.16 -0.04 -0.11 0.00 -0.02 0.00 0.00 39.34 39.32 3i6m n TYR 375 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3i6m s THR 376 N -1.09 4.11 -0.65 -0.72 2.01 -0.49 -4.87 115.64 113.94 3i6m s THR 376 Ca 0.19 -0.28 -0.22 0.00 0.31 0.00 0.00 61.69 61.69 3i6m s THR 376 Cb 0.11 -2.81 0.07 0.00 0.01 0.00 0.00 72.50 69.87 3i6m s THR 376 CO 0.12 0.49 0.96 -0.62 -0.69 0.00 0.00 174.62 174.88 3i6m s ASP 377 N 0.33 6.18 0.00 3.53 -1.08 -1.26 -4.90 116.67 119.46 3i6m s ASP 377 Ca -0.02 -0.99 0.14 0.00 -0.52 0.00 0.00 52.55 51.16 3i6m s ASP 377 Cb -0.14 -2.42 0.84 0.00 -1.46 0.00 0.00 42.92 39.74 3i6m s ASP 377 CO 0.02 -1.43 1.26 0.79 0.52 0.00 0.00 175.17 176.33 3i6m n TRP 378 N 7.67 0.00 0.84 -5.34 7.02 -1.26 -1.13 117.44 125.24 3i6m n TRP 378 Ca -0.04 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.55 3i6m n TRP 378 Cb 0.45 0.00 0.06 0.00 -2.42 0.00 0.00 31.31 29.41 3i6m n TRP 378 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 3i6m n MET 379 N -0.94 0.11 -2.72 -0.99 2.81 -1.26 -4.53 117.12 109.61 3i6m n MET 379 Ca 0.10 -0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.91 3i6m n MET 379 Cb 0.05 -1.53 0.09 0.00 -0.71 0.00 0.00 33.22 31.12 3i6m n MET 379 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3i6m n ASP 380 N -1.67 -1.21 0.31 7.83 2.03 -0.28 -5.00 116.55 118.56 3i6m n ASP 380 Ca 0.04 -2.69 0.20 0.00 0.52 0.00 0.00 54.79 52.86 3i6m n ASP 380 Cb 0.37 0.77 1.00 0.00 -0.72 0.00 0.00 41.12 42.54 3i6m n ASP 380 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 3i6m h ASP 381 N 2.36 0.00 -0.59 1.67 2.03 -1.55 -2.61 116.42 117.74 3i6m h ASP 381 Ca -0.21 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.09 3i6m h ASP 381 Cb 1.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 3i6m h ASP 381 CO 0.09 0.01 0.00 0.59 -1.03 0.00 0.00 179.24 178.90 3i6m n ASN 382 N -3.14 5.37 -4.60 4.15 3.02 -1.26 -4.79 115.26 114.01 3i6m n ASN 382 Ca -0.02 -2.77 -0.43 0.00 -0.03 0.00 0.00 54.58 51.33 3i6m n ASN 382 Cb 0.17 -0.65 -0.02 0.00 -0.61 0.00 0.00 39.78 38.66 3i6m n ASN 382 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3i6m s ASN 383 N -0.79 6.52 0.35 6.41 3.84 -0.98 -4.88 114.94 125.40 3i6m s ASN 383 Ca 0.53 0.70 0.04 0.00 0.21 0.00 0.00 52.86 54.34 3i6m s ASN 383 Cb 0.38 -2.54 0.68 0.00 -0.55 0.00 0.00 41.25 39.22 3i6m s ASN 383 CO 0.18 -1.30 1.95 1.23 -2.79 0.00 0.00 177.10 176.37 3i6m h GLY 384 N 11.56 1.03 1.02 1.21 0.00 -1.90 0.07 103.07 116.07 3i6m h GLY 384 Ca -0.25 -0.33 -0.17 0.00 0.00 0.00 0.00 47.33 46.58 3i6m h GLY 384 CO 1.10 0.26 -0.54 -2.22 0.00 0.00 0.00 176.54 175.14 3i6m h ILE 385 N 0.83 1.31 -0.52 2.60 2.04 -1.90 -0.46 117.51 121.43 3i6m h ILE 385 Ca 0.32 -1.77 -0.08 0.00 1.00 0.00 0.00 64.86 64.33 3i6m h ILE 385 Cb 0.20 1.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 3i6m h ILE 385 CO -0.11 0.55 0.01 0.11 0.00 0.00 0.00 178.15 178.72 3i6m h LYS 386 N 0.39 0.86 -0.30 2.37 1.57 -1.82 0.76 116.57 120.40 3i6m h LYS 386 Ca -0.02 -0.24 -0.08 0.00 -1.87 0.00 0.00 60.65 58.44 3i6m h LYS 386 Cb 1.16 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 3i6m h LYS 386 CO 0.12 0.86 -0.13 -0.91 -0.57 0.00 0.00 179.45 178.81 3i6m h ASN 387 N 0.80 0.63 0.18 0.86 2.35 -0.95 0.80 115.58 120.26 3i6m h ASN 387 Ca 0.15 -0.40 -0.01 0.00 -0.55 0.00 0.00 56.30 55.49 3i6m h ASN 387 Cb 0.47 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.66 3i6m h ASN 387 CO 0.02 0.89 -0.09 -0.09 -1.65 0.00 0.00 177.43 176.52 3i6m h ARG 388 N 0.37 -0.24 -0.14 0.81 1.12 -0.91 -1.97 114.38 113.42 3i6m h ARG 388 Ca 0.07 0.02 -0.06 0.00 -1.11 0.00 0.00 59.98 58.90 3i6m h ARG 388 Cb 0.65 0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.65 3i6m h ARG 388 CO 0.04 -0.11 -0.17 -0.44 -3.11 0.00 0.00 179.97 176.18 3i6m h ASP 389 N -0.30 0.22 -0.71 -3.80 3.32 -0.85 -1.78 116.42 112.52 3i6m h ASP 389 Ca -0.02 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 56.91 3i6m h ASP 389 Cb 0.23 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 3i6m h ASP 389 CO 0.04 0.41 0.18 1.23 -1.72 0.00 0.00 179.24 179.38 3i6m h GLY 390 N 0.80 1.22 0.98 2.75 0.00 -0.56 -0.82 103.07 107.44 3i6m h GLY 390 Ca 0.04 -0.75 -0.09 0.00 0.00 0.00 0.00 47.33 46.53 3i6m h GLY 390 CO 0.03 0.70 -0.09 1.41 0.00 0.00 0.00 176.54 178.59 3i6m h LEU 391 N 1.07 0.77 -0.25 3.11 4.07 -1.00 0.39 115.31 123.47 3i6m h LEU 391 Ca 0.22 -0.36 0.06 0.00 0.08 0.00 0.00 57.88 57.88 3i6m h LEU 391 Cb 0.36 -0.21 -0.06 0.00 1.08 0.00 0.00 40.66 41.83 3i6m h LEU 391 CO 0.00 0.95 -0.14 -0.78 -1.08 0.00 0.00 178.44 177.40 3i6m h ASP 392 N 0.58 -0.45 -0.54 -0.43 1.82 -0.96 0.09 116.42 116.53 3i6m h ASP 392 Ca 0.10 0.10 -0.03 0.00 -0.39 0.00 0.00 57.03 56.82 3i6m h ASP 392 Cb 0.62 0.24 -0.02 0.00 0.68 0.00 0.00 39.33 40.85 3i6m h ASP 392 CO 0.04 -0.17 0.23 0.44 -1.61 0.00 0.00 179.24 178.17 3i6m h ASP 393 N -0.11 0.73 -0.01 2.28 3.32 -0.98 -1.29 116.42 120.36 3i6m h ASP 393 Ca 0.14 -0.15 0.02 0.00 0.02 0.00 0.00 57.03 57.05 3i6m h ASP 393 Cb 0.31 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3i6m h ASP 393 CO -0.32 0.68 -0.08 0.40 -1.72 0.00 0.00 179.24 178.20 3i6m h ILE 394 N 0.73 0.78 -0.58 0.35 2.04 -0.23 0.34 117.51 120.94 3i6m h ILE 394 Ca 0.18 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.03 3i6m h ILE 394 Cb 0.17 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 3i6m h ILE 394 CO -0.02 0.00 0.32 0.58 0.00 0.00 0.00 178.15 179.04 3i6m h VAL 395 N -0.14 1.19 -0.26 1.67 2.07 -0.90 -1.37 116.25 118.51 3i6m h VAL 395 Ca 0.04 -0.47 -0.10 0.00 0.82 0.00 0.00 66.70 66.99 3i6m h VAL 395 Cb 0.19 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3i6m h VAL 395 CO -0.09 0.20 -0.22 1.23 0.02 0.00 0.00 177.57 178.71 3i6m h GLY 396 N 0.79 0.66 0.78 2.17 0.00 -0.98 -1.93 103.07 104.56 3i6m h GLY 396 Ca 0.21 -0.66 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 3i6m h GLY 396 CO -0.03 0.59 0.00 -0.55 0.00 0.00 0.00 176.54 176.55 3i6m h ASP 397 N 0.33 0.02 -0.41 0.19 3.32 -0.26 -0.31 116.42 119.30 3i6m h ASP 397 Ca 0.05 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 56.83 3i6m h ASP 397 Cb 0.77 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.30 3i6m h ASP 397 CO 0.06 0.24 0.10 -0.74 -1.72 0.00 0.00 179.24 177.18 3i6m h HIS 398 N -0.20 0.68 0.00 4.55 2.76 -1.31 -0.74 115.15 120.89 3i6m h HIS 398 Ca 0.00 -0.08 -0.21 0.00 -2.20 0.00 0.00 60.37 57.88 3i6m h HIS 398 Cb 0.23 -0.19 -0.04 0.00 1.55 0.00 0.00 27.41 28.96 3i6m h HIS 398 CO 0.00 0.65 -1.42 -0.91 -1.30 0.00 0.00 177.93 174.95 3i6m h ASN 399 N 0.52 0.00 0.00 3.26 2.35 -1.41 -3.41 115.58 116.89 3i6m h ASN 399 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3i6m h ASN 399 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 3i6m h ASN 399 CO 0.00 0.77 0.00 0.52 -1.65 0.00 0.00 177.43 177.07 3i6m n VAL 400 N -3.01 0.79 0.40 2.81 0.31 -0.51 -4.59 118.33 114.53 3i6m n VAL 400 Ca -0.11 0.26 -0.18 0.00 -0.01 0.00 0.00 64.34 64.31 3i6m n VAL 400 Cb 0.92 -1.22 -0.09 0.00 -0.91 0.00 0.00 33.84 32.55 3i6m n VAL 400 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3i6m h ILE 401 N 0.00 0.22 -0.53 2.52 2.04 -1.19 -1.28 117.51 119.28 3i6m h ILE 401 Ca 0.00 -0.09 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 3i6m h ILE 401 Cb 0.00 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 3i6m h ILE 401 CO 0.00 0.01 0.11 0.00 0.00 0.00 0.00 178.15 178.27 3i6m h PRO 403 N 0.79 1.04 -0.50 0.00 0.11 -1.71 -0.16 132.00 131.57 3i6m h PRO 403 Ca 0.17 -0.23 -0.05 0.00 0.11 0.00 0.00 66.00 66.00 3i6m h PRO 403 Cb 0.31 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 3i6m h PRO 403 CO 0.00 0.91 0.11 1.25 -0.21 0.00 0.00 178.00 180.06 3i6m h LEU 404 N 0.97 0.76 -1.30 2.35 6.46 -0.44 -1.05 115.31 123.07 3i6m h LEU 404 Ca 0.21 -0.24 -0.03 0.00 -0.12 0.00 0.00 57.88 57.70 3i6m h LEU 404 Cb 0.32 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.02 3i6m h LEU 404 CO -0.00 0.81 0.13 0.24 -0.62 0.00 0.00 178.44 178.99 3i6m h MET 405 N 0.69 0.61 -0.38 1.25 2.86 -0.33 0.26 114.93 119.88 3i6m h MET 405 Ca 0.15 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.63 3i6m h MET 405 Cb 0.35 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 3i6m h MET 405 CO 0.00 0.54 -0.04 1.25 1.06 0.00 0.00 176.91 179.72 3i6m h HIS 406 N 0.60 0.77 -0.51 -0.22 -0.00 -0.54 -2.21 115.15 113.05 3i6m h HIS 406 Ca 0.14 -0.15 -0.01 0.00 -0.00 0.00 0.00 60.37 60.35 3i6m h HIS 406 Cb 0.19 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 27.38 3i6m h HIS 406 CO 0.01 0.81 0.27 0.35 -0.00 0.00 0.00 177.93 179.37 3i6m h PHE 407 N 0.51 0.71 -0.25 5.26 3.57 -0.50 -1.80 116.94 124.43 3i6m h PHE 407 Ca 0.10 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.61 3i6m h PHE 407 Cb 0.53 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 3i6m h PHE 407 CO 0.04 0.54 0.05 0.28 -2.23 0.00 0.00 178.31 176.99 3i6m h VAL 408 N 0.67 0.88 -0.36 1.41 2.07 -0.32 0.25 116.25 120.86 3i6m h VAL 408 Ca 0.18 -0.05 -0.14 0.00 0.82 0.00 0.00 66.70 67.51 3i6m h VAL 408 Cb 0.07 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3i6m h VAL 408 CO -0.03 0.03 -0.33 0.78 0.02 0.00 0.00 177.57 178.04 3i6m h ASN 409 N 0.15 0.84 -0.29 0.57 2.35 -1.32 -0.43 115.58 117.45 3i6m h ASN 409 Ca 0.12 -0.35 -0.11 0.00 -0.55 0.00 0.00 56.30 55.41 3i6m h ASN 409 Cb 0.12 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 3i6m h ASN 409 CO -0.15 1.10 -0.23 0.11 -1.65 0.00 0.00 177.43 176.60 3i6m h LYS 410 N 0.67 0.67 -0.20 0.81 1.79 -1.02 -3.22 116.57 116.07 3i6m h LYS 410 Ca 0.07 -0.33 -0.02 0.00 -2.18 0.00 0.00 60.65 58.19 3i6m h LYS 410 Cb 0.88 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.52 3i6m h LYS 410 CO 0.08 0.93 0.06 -0.92 -1.08 0.00 0.00 179.45 178.52 3i6m h TYR 411 N 0.41 0.32 -0.53 -1.35 3.20 -0.41 -3.00 116.97 115.61 3i6m h TYR 411 Ca 0.05 -0.03 0.15 0.00 3.14 0.00 0.00 58.73 62.04 3i6m h TYR 411 Cb 0.78 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 3i6m h TYR 411 CO 0.07 0.40 0.39 1.15 -1.64 0.00 0.00 178.16 178.53 3i6m h THR 412 N 0.15 0.70 -0.16 1.81 2.02 -1.13 0.13 112.91 116.42 3i6m h THR 412 Ca 0.06 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 3i6m h THR 412 Cb 0.23 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 3i6m h THR 412 CO -0.00 0.00 0.08 0.11 0.37 0.00 0.00 175.52 176.07 3i6m h LYS 413 N 0.00 0.22 0.00 6.66 1.57 -1.53 -3.21 116.57 120.28 3i6m h LYS 413 Ca 0.25 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3i6m h LYS 413 Cb 1.03 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.30 3i6m h LYS 413 CO -0.00 0.18 -0.70 1.19 -0.57 0.00 0.00 179.45 179.55 3i6m n PHE 414 N -4.48 0.00 -1.30 -1.35 3.01 -0.47 -5.07 117.46 107.80 3i6m n PHE 414 Ca -0.01 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.16 3i6m n PHE 414 Cb 0.10 -0.06 0.21 0.00 -0.01 0.00 0.00 39.48 39.73 3i6m n PHE 414 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3i6m s GLY 415 N -2.06 1.62 -0.04 1.37 0.00 0.32 -4.86 107.32 103.67 3i6m s GLY 415 Ca 0.01 -0.90 0.13 0.00 0.00 0.00 0.00 44.72 43.96 3i6m s GLY 415 CO 0.27 -0.09 1.33 -2.01 0.00 0.00 0.00 173.10 172.60 3i6m n ASN 416 N -4.42 3.30 0.00 1.64 4.05 -0.23 -4.91 115.26 114.68 3i6m n ASN 416 Ca 0.12 -2.19 0.00 0.00 0.45 0.00 0.00 54.58 52.96 3i6m n ASN 416 Cb 0.59 -0.33 0.00 0.00 1.23 0.00 0.00 39.78 41.28 3i6m n ASN 416 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3i6m n GLY 417 N 0.50 3.27 3.01 8.20 0.00 -1.24 -4.71 105.19 114.22 3i6m n GLY 417 Ca 0.15 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 3i6m n GLY 417 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i6m s THR 418 N 0.00 1.01 -0.12 2.61 2.01 -1.26 -0.56 115.64 119.33 3i6m s THR 418 Ca 0.00 -0.43 0.01 0.00 0.31 0.00 0.00 61.69 61.58 3i6m s THR 418 Cb 0.00 -0.93 0.02 0.00 0.01 0.00 0.00 72.50 71.60 3i6m s THR 418 CO 0.00 0.32 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.79 3i6m s TYR 419 N 0.56 2.10 -0.05 4.92 2.02 -0.45 0.55 117.35 127.01 3i6m s TYR 419 Ca -0.11 -1.06 0.05 0.00 -0.37 0.00 0.00 57.07 55.58 3i6m s TYR 419 Cb -0.14 -1.52 -0.02 0.00 -0.40 0.00 0.00 41.96 39.88 3i6m s TYR 419 CO 0.03 -0.55 -0.21 -1.17 -1.57 0.00 0.00 175.55 172.08 3i6m s LEU 420 N 1.13 2.35 0.23 -1.29 2.96 -1.26 -1.02 118.68 121.78 3i6m s LEU 420 Ca -0.03 -0.37 0.04 0.00 -0.22 0.00 0.00 54.13 53.55 3i6m s LEU 420 Cb -0.14 -1.45 -0.05 0.00 0.50 0.00 0.00 46.19 45.05 3i6m s LEU 420 CO -0.04 0.30 -0.03 -0.72 -1.32 0.00 0.00 176.35 174.54 3i6m s TYR 421 N -0.47 1.60 -0.23 5.38 -0.85 -0.45 -1.87 117.35 120.46 3i6m s TYR 421 Ca 0.06 -0.85 -0.03 0.00 -0.52 0.00 0.00 57.07 55.72 3i6m s TYR 421 Cb -0.12 -0.91 0.08 0.00 0.38 0.00 0.00 41.96 41.39 3i6m s TYR 421 CO 0.01 0.05 0.08 0.12 -1.52 0.00 0.00 175.55 174.29 3i6m s PHE 422 N -3.32 0.84 -0.39 -3.49 5.36 -0.04 -2.37 117.98 114.57 3i6m s PHE 422 Ca 0.27 -0.92 -0.24 0.00 -0.96 0.00 0.00 56.93 55.08 3i6m s PHE 422 Cb 0.05 -1.06 0.01 0.00 -0.34 0.00 0.00 43.02 41.68 3i6m s PHE 422 CO 0.08 -0.69 0.81 0.12 -1.46 0.00 0.00 175.22 174.08 3i6m s PHE 423 N 1.92 3.07 -0.16 10.12 5.36 0.57 0.11 117.98 138.98 3i6m s PHE 423 Ca 0.04 0.50 0.18 0.00 -0.96 0.00 0.00 56.93 56.69 3i6m s PHE 423 Cb -0.17 -3.51 0.45 0.00 -0.34 0.00 0.00 43.02 39.45 3i6m s PHE 423 CO -0.18 -0.81 1.17 0.27 -1.46 0.00 0.00 175.22 174.21 3i6m n ASN 424 N 6.56 1.92 -4.66 6.13 6.94 -1.08 -1.34 115.26 129.74 3i6m n ASN 424 Ca 0.04 -2.80 -0.36 0.00 -0.02 0.00 0.00 54.58 51.44 3i6m n ASN 424 Cb 0.48 -0.41 -0.09 0.00 -2.36 0.00 0.00 39.78 37.40 3i6m n ASN 424 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 3i6m s HIS 425 N -2.23 3.32 -0.30 -2.53 2.46 -1.25 -4.98 115.29 109.78 3i6m s HIS 425 Ca 0.36 0.23 -0.19 0.00 0.47 0.00 0.00 55.06 55.93 3i6m s HIS 425 Cb 0.37 -2.26 -0.02 0.00 -0.13 0.00 0.00 32.58 30.55 3i6m s HIS 425 CO -0.08 0.08 0.55 0.50 -2.47 0.00 0.00 174.74 173.32 3i6m s ARG 426 N 1.00 3.89 0.33 2.88 6.06 -1.26 -4.86 118.95 126.98 3i6m s ARG 426 Ca 0.07 0.17 -0.29 0.00 -2.50 0.00 0.00 55.73 53.19 3i6m s ARG 426 Cb -0.13 -3.72 -0.12 0.00 0.06 0.00 0.00 34.95 31.04 3i6m s ARG 426 CO 0.04 -0.50 1.38 0.00 -2.50 0.00 0.00 175.30 173.72 3i6m n ALA 427 N 5.70 1.61 0.24 6.12 0.00 -1.26 -4.90 120.51 128.03 3i6m n ALA 427 Ca -0.03 0.37 0.09 0.00 0.00 0.00 0.00 53.44 53.87 3i6m n ALA 427 Cb 0.49 -2.31 0.62 0.00 0.00 0.00 0.00 19.45 18.25 3i6m n ALA 427 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3i6m h SER 428 N 3.14 0.00 -0.43 0.00 4.64 -1.95 -2.84 113.55 116.11 3i6m h SER 428 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3i6m h SER 428 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3i6m h SER 428 CO 0.67 0.16 0.00 -0.46 -0.87 0.00 0.00 176.83 176.32 3i6m n ASN 429 N -3.93 4.59 -4.76 4.97 6.94 -1.26 -5.01 115.26 116.79 3i6m n ASN 429 Ca -0.02 -2.83 -0.41 0.00 -0.02 0.00 0.00 54.58 51.29 3i6m n ASN 429 Cb 0.25 -0.58 -0.01 0.00 -2.36 0.00 0.00 39.78 37.08 3i6m n ASN 429 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3i6m s LEU 430 N -2.53 4.35 0.07 -4.53 2.96 -1.07 -4.91 118.68 113.01 3i6m s LEU 430 Ca 0.46 2.93 0.23 0.00 -0.22 0.00 0.00 54.13 57.53 3i6m s LEU 430 Cb 0.35 -3.64 0.14 0.00 0.50 0.00 0.00 46.19 43.53 3i6m s LEU 430 CO 0.14 -0.85 1.11 1.33 -1.32 0.00 0.00 176.35 176.76 3i6m n VAL 431 N 1.62 0.21 -2.14 1.68 0.24 -1.26 -4.90 118.33 113.78 3i6m n VAL 431 Ca 0.05 -0.24 -0.32 0.00 -2.04 0.00 0.00 64.34 61.78 3i6m n VAL 431 Cb 0.39 0.12 -0.00 0.00 -1.47 0.00 0.00 33.84 32.87 3i6m n VAL 431 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 3i6m s TRP 432 N -3.18 3.15 0.95 6.34 0.52 -1.26 -4.99 118.94 120.46 3i6m s TRP 432 Ca 0.04 1.49 -0.11 0.00 0.02 0.00 0.00 56.10 57.55 3i6m s TRP 432 Cb 0.14 -2.93 0.16 0.00 -1.15 0.00 0.00 33.47 29.69 3i6m s TRP 432 CO 0.78 -0.87 1.11 -1.25 0.02 0.00 0.00 176.95 176.74 3i6m s PRO 433 N -4.12 0.80 0.28 4.98 0.04 -1.26 -4.92 135.00 130.80 3i6m s PRO 433 Ca 0.62 1.32 -0.03 0.00 0.04 0.00 0.00 61.00 62.94 3i6m s PRO 433 Cb -0.14 -1.72 0.38 0.00 0.04 0.00 0.00 34.50 33.06 3i6m s PRO 433 CO 0.36 -2.71 1.91 0.93 0.04 0.00 0.00 177.00 177.53 3i6m h GLU 434 N -1.91 1.06 -0.19 4.56 4.39 -1.95 -2.78 114.58 117.77 3i6m h GLU 434 Ca -0.47 -0.11 0.05 0.00 0.34 0.00 0.00 59.36 59.17 3i6m h GLU 434 Cb 1.28 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 3i6m h GLU 434 CO 0.45 0.77 0.21 0.11 -1.16 0.00 0.00 179.01 179.39 3i6m h TRP 435 N 1.07 0.00 0.00 4.33 5.08 -1.91 -1.26 115.95 123.26 3i6m h TRP 435 Ca 0.27 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.24 3i6m h TRP 435 Cb 0.01 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.17 3i6m h TRP 435 CO 0.01 0.00 0.00 0.52 -1.28 0.00 0.00 178.44 177.69 3i6m h MET 436 N 0.00 0.00 0.00 0.12 2.86 -1.85 -3.49 114.93 112.57 3i6m h MET 436 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3i6m h MET 436 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 3i6m h MET 436 CO -0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 3i6m n GLY 437 N 0.53 2.89 3.36 8.32 0.00 -0.48 -4.10 105.19 115.72 3i6m n GLY 437 Ca 0.03 -0.29 -0.46 0.00 0.00 0.00 0.00 46.02 45.31 3i6m n GLY 437 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i6m s VAL 438 N 0.00 5.29 0.45 1.61 1.01 -1.26 -4.87 120.40 122.63 3i6m s VAL 438 Ca 0.00 -2.01 -0.23 0.00 0.00 0.00 0.00 61.98 59.74 3i6m s VAL 438 Cb 0.00 -4.52 -0.08 0.00 0.00 0.00 0.00 36.38 31.78 3i6m s VAL 438 CO 0.00 -1.13 1.15 -0.63 0.00 0.00 0.00 175.10 174.49 3i6m s ILE 439 N 1.14 3.22 -0.02 2.22 1.01 -1.26 -1.39 121.20 126.11 3i6m s ILE 439 Ca 0.19 0.92 -0.36 0.00 0.00 0.00 0.00 60.65 61.39 3i6m s ILE 439 Cb -0.13 -3.46 -0.14 0.00 0.01 0.00 0.00 42.46 38.74 3i6m s ILE 439 CO -0.06 -0.01 1.66 1.57 0.00 0.00 0.00 174.94 178.10 3i6m n HIS 440 N -0.41 2.09 -0.05 3.97 -0.00 -1.25 -1.17 115.22 118.40 3i6m n HIS 440 Ca 0.07 0.32 0.00 0.00 -0.00 0.00 0.00 57.72 58.10 3i6m n HIS 440 Cb 0.48 -2.52 0.00 0.00 -0.00 0.00 0.00 29.99 27.95 3i6m n HIS 440 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3i6m n GLY 441 N 3.70 0.81 1.11 1.57 0.00 -1.26 -4.95 105.19 106.18 3i6m n GLY 441 Ca 0.21 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.29 3i6m n GLY 441 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i6m n TYR 442 N -2.00 0.95 0.22 1.61 4.02 -0.31 -3.09 117.16 118.56 3i6m n TYR 442 Ca 0.00 -0.39 0.11 0.00 -0.01 0.00 0.00 57.90 57.61 3i6m n TYR 442 Cb 0.00 -0.15 -0.12 0.00 -0.02 0.00 0.00 39.34 39.05 3i6m n TYR 442 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 3i6m n GLU 443 N 0.71 0.51 -0.11 -0.72 0.00 -1.26 -4.42 120.64 115.35 3i6m n GLU 443 Ca 0.17 -0.11 -0.05 0.00 0.00 0.00 0.00 57.16 57.17 3i6m n GLU 443 Cb 0.60 -1.57 0.03 0.00 0.00 0.00 0.00 31.44 30.50 3i6m n GLU 443 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 3i6m h ILE 444 N 0.00 0.79 -0.09 3.84 2.04 -1.94 0.16 117.51 122.30 3i6m h ILE 444 Ca 0.00 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.82 3i6m h ILE 444 Cb 0.89 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 3i6m h ILE 444 CO 0.00 0.03 0.11 1.05 0.00 0.00 0.00 178.15 179.34 3i6m h GLU 445 N 0.18 0.00 0.06 2.37 4.11 -1.79 0.14 114.58 119.66 3i6m h GLU 445 Ca 0.18 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.35 3i6m h GLU 445 Cb 0.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3i6m h GLU 445 CO -0.25 0.00 -1.31 0.74 0.07 0.00 0.00 179.01 178.26 3i6m h PHE 446 N 0.00 0.25 -0.14 2.06 -1.00 -1.27 -1.63 116.94 115.21 3i6m h PHE 446 Ca 0.04 -0.18 -0.14 0.00 2.81 0.00 0.00 57.97 60.50 3i6m h PHE 446 Cb 0.26 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.80 3i6m h PHE 446 CO 0.00 1.18 -0.53 0.28 -1.61 0.00 0.00 178.31 177.62 3i6m h VAL 447 N 0.04 1.34 -0.29 -0.55 2.07 -0.01 -2.98 116.25 115.87 3i6m h VAL 447 Ca -0.14 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.58 3i6m h VAL 447 Cb 1.92 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 33.51 3i6m h VAL 447 CO 0.15 0.55 0.00 0.49 0.02 0.00 0.00 177.57 178.78 3i6m n PHE 448 N -3.95 0.38 -1.23 1.57 3.01 0.30 -4.68 117.46 112.86 3i6m n PHE 448 Ca -0.02 -0.19 -0.08 0.00 1.01 0.00 0.00 57.45 58.17 3i6m n PHE 448 Cb 0.58 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.02 3i6m n PHE 448 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i6m n GLY 449 N 1.20 0.98 0.37 1.37 0.00 -1.10 -4.30 105.19 103.72 3i6m n GLY 449 Ca 0.16 -0.67 0.11 0.00 0.00 0.00 0.00 46.02 45.63 3i6m n GLY 449 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i6m h LEU 450 N 0.00 0.58 -1.21 0.99 -0.00 -1.59 -2.10 115.31 111.98 3i6m h LEU 450 Ca -0.16 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.75 3i6m h LEU 450 Cb 0.52 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 3i6m h LEU 450 CO 0.23 0.32 0.00 -2.65 -0.00 0.00 0.00 178.44 176.35 3i6m n PRO 451 N -4.51 0.12 0.00 1.13 -0.02 -1.26 -1.10 135.00 129.36 3i6m n PRO 451 Ca 0.15 0.61 0.15 0.00 -2.02 0.00 0.00 63.50 62.38 3i6m n PRO 451 Cb 0.42 -1.90 0.71 0.00 -0.02 0.00 0.00 33.50 32.71 3i6m n PRO 451 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i6m n LEU 452 N -2.16 0.17 -4.45 2.45 4.77 -0.79 -4.48 117.00 112.51 3i6m n LEU 452 Ca -0.01 0.18 -0.44 0.00 -0.03 0.00 0.00 56.01 55.71 3i6m n LEU 452 Cb 0.04 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 40.82 3i6m n LEU 452 CO 0.09 0.03 0.33 -0.69 -1.33 0.00 0.00 177.39 175.82 3i6m s VAL 453 N -2.53 4.88 0.24 4.08 1.01 -0.26 -4.97 120.40 122.86 3i6m s VAL 453 Ca 0.29 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.72 3i6m s VAL 453 Cb 0.20 -4.28 0.26 0.00 0.00 0.00 0.00 36.38 32.56 3i6m s VAL 453 CO 0.47 -0.78 1.64 0.50 0.00 0.00 0.00 175.10 176.93 3i6m h LYS 454 N 8.98 0.10 0.00 2.72 3.64 -1.86 0.14 116.57 130.29 3i6m h LYS 454 Ca -0.27 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 3i6m h LYS 454 Cb 1.10 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 3i6m h LYS 454 CO 0.96 0.07 0.01 0.93 -2.27 0.00 0.00 179.45 179.15 3i6m h GLU 455 N 0.11 0.00 -0.00 1.90 3.07 -1.95 -1.16 114.58 116.53 3i6m h GLU 455 Ca 0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 3i6m h GLU 455 Cb 0.68 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.59 3i6m h GLU 455 CO -0.64 0.00 -0.05 1.28 -1.40 0.00 0.00 179.01 178.20 3i6m n LEU 456 N -2.58 0.34 -2.37 1.33 4.77 0.04 -4.95 117.00 113.58 3i6m n LEU 456 Ca -0.02 0.02 -0.18 0.00 -0.03 0.00 0.00 56.01 55.80 3i6m n LEU 456 Cb 0.06 -0.14 0.02 0.00 -2.33 0.00 0.00 43.42 41.03 3i6m n LEU 456 CO 0.14 0.06 -0.06 0.59 -1.33 0.00 0.00 177.39 176.78 3i6m n ASN 457 N -0.94 -5.27 -4.93 -1.43 3.02 -0.44 -4.98 115.26 100.29 3i6m n ASN 457 Ca 0.17 -0.18 -0.26 0.00 -0.03 0.00 0.00 54.58 54.29 3i6m n ASN 457 Cb 0.23 -4.18 0.07 0.00 -0.61 0.00 0.00 39.78 35.30 3i6m n ASN 457 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3i6m s TYR 458 N -3.01 2.92 0.60 3.10 1.51 -1.26 -4.70 117.35 116.50 3i6m s TYR 458 Ca 0.18 0.45 -0.06 0.00 -1.01 0.00 0.00 57.07 56.63 3i6m s TYR 458 Cb -0.08 -3.20 0.01 0.00 -0.11 0.00 0.00 41.96 38.58 3i6m s TYR 458 CO 0.22 -1.42 0.91 0.95 -1.11 0.00 0.00 175.55 175.10 3i6m s THR 459 N -3.26 3.57 0.32 -0.71 -4.23 -1.26 -4.93 115.64 105.14 3i6m s THR 459 Ca 0.60 -0.01 -0.00 0.00 -1.18 0.00 0.00 61.69 61.10 3i6m s THR 459 Cb -0.11 -3.42 0.26 0.00 1.34 0.00 0.00 72.50 70.57 3i6m s THR 459 CO 0.45 -0.44 1.98 0.00 -0.54 0.00 0.00 174.62 176.07 3i6m h ALA 460 N -0.20 1.47 -0.03 3.99 0.00 -1.97 -1.06 119.26 121.45 3i6m h ALA 460 Ca -0.45 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.29 3i6m h ALA 460 Cb 1.26 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3i6m h ALA 460 CO 0.61 0.49 -0.48 1.05 0.00 0.00 0.00 179.25 180.92 3i6m h GLU 461 N 0.99 0.08 -0.03 0.00 9.09 -1.99 -0.87 114.58 121.86 3i6m h GLU 461 Ca 0.27 -0.04 -0.10 0.00 0.05 0.00 0.00 59.36 59.53 3i6m h GLU 461 Cb -0.10 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 26.98 3i6m h GLU 461 CO -0.06 0.54 -0.47 0.93 0.05 0.00 0.00 179.01 180.01 3i6m h GLU 462 N 0.07 0.06 -0.22 1.06 5.08 -1.60 0.18 114.58 119.21 3i6m h GLU 462 Ca 0.00 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 3i6m h GLU 462 Cb 0.87 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.12 3i6m h GLU 462 CO 0.07 0.52 -0.33 1.49 -1.00 0.00 0.00 179.01 179.75 3i6m h GLU 463 N 0.05 0.61 -0.95 2.33 4.81 -0.83 -1.22 114.58 119.39 3i6m h GLU 463 Ca 0.00 -0.36 0.02 0.00 -0.13 0.00 0.00 59.36 58.89 3i6m h GLU 463 Cb 0.84 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.21 3i6m h GLU 463 CO 0.06 0.97 0.62 0.00 -0.73 0.00 0.00 179.01 179.94 3i6m h ALA 464 N 0.63 1.23 -0.18 2.92 0.00 -0.78 -0.67 119.26 122.40 3i6m h ALA 464 Ca 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3i6m h ALA 464 Cb 0.91 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3i6m h ALA 464 CO 0.08 0.54 0.06 1.25 0.00 0.00 0.00 179.25 181.18 3i6m h LEU 465 N 1.24 0.26 -0.11 0.00 5.85 -0.83 -1.49 115.31 120.23 3i6m h LEU 465 Ca 0.36 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.92 3i6m h LEU 465 Cb -0.07 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 3i6m h LEU 465 CO -0.10 0.39 -0.10 -1.28 -0.34 0.00 0.00 178.44 177.01 3i6m h SER 466 N 0.12 -0.32 -0.58 1.25 0.87 -0.83 0.47 113.55 114.53 3i6m h SER 466 Ca 0.06 0.06 0.06 0.00 -1.23 0.00 0.00 61.79 60.74 3i6m h SER 466 Cb 0.22 0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 62.28 3i6m h SER 466 CO -0.00 -0.14 0.29 0.03 -0.53 0.00 0.00 176.83 176.48 3i6m h ARG 467 N -0.12 0.53 -0.20 2.24 3.08 -1.01 0.24 114.38 119.14 3i6m h ARG 467 Ca 0.08 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.11 3i6m h ARG 467 Cb 0.23 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3i6m h ARG 467 CO -0.18 0.35 0.10 0.00 -1.07 0.00 0.00 179.97 179.17 3i6m h ARG 468 N 0.55 0.21 -0.32 0.04 3.08 -0.78 -0.23 114.38 116.93 3i6m h ARG 468 Ca 0.26 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 3i6m h ARG 468 Cb 0.19 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3i6m h ARG 468 CO -0.19 0.14 0.12 0.82 -1.07 0.00 0.00 179.97 179.79 3i6m h ILE 469 N 0.21 1.18 -0.92 2.04 2.04 -0.20 0.29 117.51 122.16 3i6m h ILE 469 Ca 0.08 -0.57 0.02 0.00 1.00 0.00 0.00 64.86 65.39 3i6m h ILE 469 Cb 0.02 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 3i6m h ILE 469 CO -0.06 0.20 0.61 0.24 0.00 0.00 0.00 178.15 179.14 3i6m h MET 470 N 0.36 1.19 -0.06 2.37 2.86 -0.39 0.36 114.93 121.61 3i6m h MET 470 Ca 0.10 -0.07 -0.16 0.00 -2.06 0.00 0.00 59.70 57.51 3i6m h MET 470 Cb 0.19 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 3i6m h MET 470 CO -0.01 0.79 -0.67 1.25 1.06 0.00 0.00 176.91 179.33 3i6m h HIS 471 N 1.22 0.36 -0.08 -0.22 -0.00 -0.72 -0.71 115.15 115.01 3i6m h HIS 471 Ca 0.34 -0.15 -0.01 0.00 -0.00 0.00 0.00 60.37 60.56 3i6m h HIS 471 Cb -0.11 -0.06 -0.00 0.00 -0.00 0.00 0.00 27.41 27.24 3i6m h HIS 471 CO -0.00 0.86 0.02 1.88 -0.00 0.00 0.00 177.93 180.69 3i6m h TYR 472 N 0.19 0.13 -0.06 5.26 0.05 -0.19 -0.45 116.97 121.91 3i6m h TYR 472 Ca -0.02 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 3i6m h TYR 472 Cb 1.20 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 38.90 3i6m h TYR 472 CO 0.03 0.30 0.04 -1.49 -1.05 0.00 0.00 178.16 175.98 3i6m h TRP 473 N -0.08 0.08 -0.19 4.88 -0.00 -0.84 -1.04 115.95 118.76 3i6m h TRP 473 Ca 0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 58.89 58.79 3i6m h TRP 473 Cb 0.23 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.16 29.36 3i6m h TRP 473 CO 0.00 0.08 -0.40 0.00 -0.00 0.00 0.00 178.44 178.13 3i6m h ALA 474 N 0.99 0.97 -0.16 1.49 0.00 -1.15 0.09 119.26 121.48 3i6m h ALA 474 Ca 0.02 -0.43 -0.17 0.00 0.00 0.00 0.00 54.91 54.34 3i6m h ALA 474 Cb 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3i6m h ALA 474 CO -0.00 0.62 -0.60 1.15 0.00 0.00 0.00 179.25 180.42 3i6m h THR 475 N 0.36 1.33 -0.38 0.00 2.02 -0.98 -1.30 112.91 113.96 3i6m h THR 475 Ca 0.03 -1.88 -0.06 0.00 0.77 0.00 0.00 66.41 65.27 3i6m h THR 475 Cb 0.86 1.86 -0.01 0.00 -1.74 0.00 0.00 68.15 69.11 3i6m h THR 475 CO 0.07 0.58 0.01 0.15 0.37 0.00 0.00 175.52 176.70 3i6m h PHE 476 N 0.39 0.72 -0.85 3.16 3.57 -0.97 0.69 116.94 123.64 3i6m h PHE 476 Ca -0.00 -0.12 0.06 0.00 3.53 0.00 0.00 57.97 61.44 3i6m h PHE 476 Cb 1.15 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.64 3i6m h PHE 476 CO 0.05 0.74 0.53 0.00 -2.23 0.00 0.00 178.31 177.40 3i6m h ALA 477 N 0.88 1.16 -0.12 2.41 0.00 -0.75 0.48 119.26 123.33 3i6m h ALA 477 Ca 0.11 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 3i6m h ALA 477 Cb 0.45 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.01 3i6m h ALA 477 CO 0.02 0.28 -0.70 -0.22 0.00 0.00 0.00 179.25 178.63 3i6m h LYS 478 N 0.97 0.68 0.00 0.00 3.64 -1.03 -3.41 116.57 117.42 3i6m h LYS 478 Ca 0.37 -0.58 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 3i6m h LYS 478 Cb 0.16 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3i6m h LYS 478 CO -0.17 1.19 -0.73 0.25 -2.27 0.00 0.00 179.45 177.72 3i6m n THR 479 N -4.04 0.00 -0.46 1.00 -2.24 0.22 -5.00 114.28 103.75 3i6m n THR 479 Ca -0.08 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3i6m n THR 479 Cb 0.70 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 3i6m n THR 479 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i6m n GLY 480 N 1.81 0.77 3.08 3.38 0.00 0.17 -5.03 105.19 109.36 3i6m n GLY 480 Ca -0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3i6m n GLY 480 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i6m s ASN 481 N -2.00 0.09 0.54 1.61 3.84 -1.25 -4.90 114.94 112.87 3i6m s ASN 481 Ca 0.00 0.67 0.35 0.00 0.21 0.00 0.00 52.86 54.09 3i6m s ASN 481 Cb 0.00 0.77 1.64 0.00 -0.55 0.00 0.00 41.25 43.11 3i6m s ASN 481 CO 0.00 -0.22 2.05 1.55 -2.79 0.00 0.00 177.10 177.69 3i6m h PRO 482 N 8.02 0.00 -6.57 0.43 0.13 -1.81 -3.18 132.00 129.02 3i6m h PRO 482 Ca -0.20 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.41 3i6m h PRO 482 Cb 1.12 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 3i6m h PRO 482 CO 0.18 0.00 0.22 -0.80 -0.23 0.00 0.00 178.00 177.37 3i6m s ASN 483 N -5.23 7.44 -0.04 1.44 0.01 -1.26 -4.49 114.94 112.81 3i6m s ASN 483 Ca -0.01 1.71 -0.30 0.00 -0.71 0.00 0.00 52.86 53.55 3i6m s ASN 483 Cb 0.10 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.20 3i6m s ASN 483 CO 0.46 0.19 1.27 -0.70 -1.51 0.00 0.00 177.10 176.81 3i6m s GLU 484 N -1.10 4.33 0.27 -0.60 2.56 -1.26 -4.97 118.70 117.92 3i6m s GLU 484 Ca 0.37 1.77 -0.30 0.00 0.00 0.00 0.00 54.97 56.81 3i6m s GLU 484 Cb -0.24 -3.57 -0.10 0.00 2.00 0.00 0.00 34.13 32.22 3i6m s GLU 484 CO 0.27 -0.49 1.48 -1.25 -0.56 0.00 0.00 175.26 174.71 3i6m s PRO 485 N 2.30 4.22 0.00 4.30 0.04 -1.26 -2.22 135.00 142.38 3i6m s PRO 485 Ca 0.58 2.39 0.00 0.00 0.04 0.00 0.00 61.00 64.01 3i6m s PRO 485 Cb -0.27 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.19 3i6m s PRO 485 CO 0.23 -0.48 0.00 0.72 0.04 0.00 0.00 177.00 177.51 3i6m n HIS 486 N 2.19 0.00 -0.47 0.56 8.25 -1.26 -5.00 115.22 119.48 3i6m n HIS 486 Ca 0.07 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.24 3i6m n HIS 486 Cb 0.39 -0.52 0.26 0.00 1.12 0.00 0.00 29.99 31.25 3i6m n HIS 486 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3i6m n SER 487 N 0.00 -1.84 -0.00 0.41 2.88 -0.94 -4.96 113.62 109.16 3i6m n SER 487 Ca 0.00 -0.19 0.06 0.00 -1.33 0.00 0.00 58.87 57.41 3i6m n SER 487 Cb 0.00 -1.24 -0.07 0.00 -0.75 0.00 0.00 64.21 62.15 3i6m n SER 487 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i6m n GLN 488 N -4.89 2.70 -1.15 -1.46 1.13 -1.26 -5.01 117.38 107.44 3i6m n GLN 488 Ca 0.03 -0.01 -0.30 0.00 -1.94 0.00 0.00 57.00 54.78 3i6m n GLN 488 Cb 0.54 -1.11 0.14 0.00 0.11 0.00 0.00 30.24 29.93 3i6m n GLN 488 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3i6m s GLU 489 N -2.23 1.21 0.36 -1.09 0.41 -1.26 -4.96 118.70 111.14 3i6m s GLU 489 Ca 0.04 0.89 -0.28 0.00 -0.41 0.00 0.00 54.97 55.21 3i6m s GLU 489 Cb 0.09 -1.80 -0.11 0.00 -1.78 0.00 0.00 34.13 30.54 3i6m s GLU 489 CO 0.52 -2.29 1.48 -1.12 -0.49 0.00 0.00 175.26 173.36 3i6m s SER 490 N -3.33 6.40 -0.09 -0.19 0.01 -1.26 -4.97 113.70 110.27 3i6m s SER 490 Ca 0.64 2.99 -0.18 0.00 1.31 0.00 0.00 55.95 60.70 3i6m s SER 490 Cb -0.18 -2.66 -0.04 0.00 0.21 0.00 0.00 66.02 63.34 3i6m s SER 490 CO 0.57 -0.84 0.50 -0.54 0.41 0.00 0.00 173.24 173.34 3i6m s LYS 491 N -1.78 4.31 -0.42 12.44 -0.14 -1.26 -5.03 119.74 127.86 3i6m s LYS 491 Ca 0.54 0.50 -0.29 0.00 -1.36 0.00 0.00 55.97 55.36 3i6m s LYS 491 Cb -0.46 -3.41 0.02 0.00 -1.68 0.00 0.00 37.83 32.31 3i6m s LYS 491 CO 0.59 0.22 1.15 -0.46 -0.76 0.00 0.00 175.35 176.09 3i6m s TRP 492 N 0.40 2.88 0.47 3.18 -0.11 -1.26 -4.99 118.94 119.51 3i6m s TRP 492 Ca 0.27 0.86 -0.23 0.00 1.22 0.00 0.00 56.10 58.22 3i6m s TRP 492 Cb -0.16 -4.19 -0.07 0.00 -1.50 0.00 0.00 33.47 27.55 3i6m s TRP 492 CO 0.12 -1.20 1.23 -2.14 -4.62 0.00 0.00 176.95 170.34 3i6m s PRO 493 N 4.24 3.64 0.27 5.86 0.02 -1.26 -4.89 135.00 142.88 3i6m s PRO 493 Ca 0.49 1.93 -0.29 0.00 0.02 0.00 0.00 61.00 63.14 3i6m s PRO 493 Cb -0.09 -2.41 -0.09 0.00 0.02 0.00 0.00 34.50 31.92 3i6m s PRO 493 CO 0.27 -0.70 1.21 -1.17 -0.33 0.00 0.00 177.00 176.29 3i6m s LEU 494 N -3.07 4.48 -0.16 -5.54 2.96 -1.26 -4.67 118.68 111.41 3i6m s LEU 494 Ca 0.65 2.42 -0.28 0.00 -0.22 0.00 0.00 54.13 56.70 3i6m s LEU 494 Cb -0.32 -3.63 -0.00 0.00 0.50 0.00 0.00 46.19 42.73 3i6m s LEU 494 CO 0.39 -0.36 0.98 0.12 -1.32 0.00 0.00 176.35 176.15 3i6m s PHE 495 N -0.79 3.43 0.23 5.38 2.19 0.19 -4.55 117.98 124.06 3i6m s PHE 495 Ca 0.49 1.47 0.11 0.00 0.33 0.00 0.00 56.93 59.32 3i6m s PHE 495 Cb -0.35 -3.17 -0.05 0.00 -1.31 0.00 0.00 43.02 38.14 3i6m s PHE 495 CO 0.44 -0.32 -0.17 0.95 1.83 0.00 0.00 175.22 177.95 3i6m s THR 496 N 2.46 2.71 0.34 0.12 -4.23 -1.26 -4.33 115.64 111.45 3i6m s THR 496 Ca 0.44 -2.05 0.07 0.00 -1.18 0.00 0.00 61.69 58.97 3i6m s THR 496 Cb -0.17 -2.37 0.31 0.00 1.34 0.00 0.00 72.50 71.62 3i6m s THR 496 CO 0.12 -0.23 1.87 0.74 -0.54 0.00 0.00 174.62 176.58 3i6m h THR 497 N 2.65 0.86 0.06 3.99 2.02 -1.95 0.14 112.91 120.68 3i6m h THR 497 Ca -0.44 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 66.47 3i6m h THR 497 Cb 1.23 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 3i6m h THR 497 CO 0.55 0.14 -0.03 0.50 0.37 0.00 0.00 175.52 177.05 3i6m h LYS 498 N 0.76 -0.07 0.00 6.66 3.64 -2.01 -3.39 116.57 122.16 3i6m h LYS 498 Ca 0.45 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.69 3i6m h LYS 498 Cb 0.64 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 3i6m h LYS 498 CO -0.21 0.33 -0.99 0.93 -2.27 0.00 0.00 179.45 177.25 3i6m h GLU 499 N -0.98 0.00 -6.70 1.90 4.39 -1.96 -3.49 114.58 107.74 3i6m h GLU 499 Ca -0.01 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.15 3i6m h GLU 499 Cb 0.44 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 28.92 3i6m h GLU 499 CO 0.01 0.46 -0.86 1.04 -1.16 0.00 0.00 179.01 178.51 3i6m n GLN 500 N -3.09 -3.08 -2.48 2.33 6.02 0.49 -4.46 117.38 113.10 3i6m n GLN 500 Ca -0.04 0.37 -0.34 0.00 -0.01 0.00 0.00 57.00 56.98 3i6m n GLN 500 Cb 0.81 -4.86 -0.03 0.00 1.02 0.00 0.00 30.24 27.18 3i6m n GLN 500 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3i6m s LYS 501 N -6.85 3.72 0.20 -1.09 1.02 -1.26 -2.13 119.74 113.35 3i6m s LYS 501 Ca 0.50 1.38 -0.13 0.00 0.02 0.00 0.00 55.97 57.74 3i6m s LYS 501 Cb -0.27 -2.08 0.01 0.00 -0.52 0.00 0.00 37.83 34.96 3i6m s LYS 501 CO 0.92 -0.50 0.43 -0.59 -0.92 0.00 0.00 175.35 174.69 3i6m s PHE 502 N -1.98 0.18 0.21 3.18 -0.71 -0.45 -4.25 117.98 114.17 3i6m s PHE 502 Ca 0.68 -0.54 0.11 0.00 -1.04 0.00 0.00 56.93 56.14 3i6m s PHE 502 Cb -0.17 0.19 -0.05 0.00 -1.21 0.00 0.00 43.02 41.79 3i6m s PHE 502 CO 0.22 -0.88 -0.21 0.96 -1.34 0.00 0.00 175.22 173.97 3i6m s ILE 503 N -3.94 2.25 0.35 -4.49 -4.36 -0.78 -0.75 121.20 109.47 3i6m s ILE 503 Ca 0.15 -2.13 -0.12 0.00 -0.26 0.00 0.00 60.65 58.29 3i6m s ILE 503 Cb 0.00 -2.12 -0.08 0.00 1.25 0.00 0.00 42.46 41.52 3i6m s ILE 503 CO 0.01 -0.27 0.73 -1.81 0.24 0.00 0.00 174.94 173.85 3i6m s ASP 504 N -2.96 6.65 -0.30 4.36 1.01 -1.05 -0.86 116.67 123.53 3i6m s ASP 504 Ca 0.23 1.18 0.03 0.00 0.71 0.00 0.00 52.55 54.69 3i6m s ASP 504 Cb -0.06 -2.34 0.08 0.00 1.01 0.00 0.00 42.92 41.61 3i6m s ASP 504 CO 0.11 -0.28 -0.01 -0.22 0.21 0.00 0.00 175.17 174.98 3i6m s LEU 505 N -3.34 3.81 0.00 1.23 2.96 0.12 -4.66 118.68 118.80 3i6m s LEU 505 Ca 0.52 -1.74 -0.00 0.00 -0.22 0.00 0.00 54.13 52.70 3i6m s LEU 505 Cb -0.10 -1.46 0.00 0.00 0.50 0.00 0.00 46.19 45.12 3i6m s LEU 505 CO 0.24 -0.31 0.00 -0.46 -1.32 0.00 0.00 176.35 174.50 3i6m n ASN 506 N 4.42 -0.00 -0.15 3.68 0.23 -1.26 -2.63 115.26 119.56 3i6m n ASN 506 Ca -0.04 -1.00 0.15 0.00 -0.53 0.00 0.00 54.58 53.15 3i6m n ASN 506 Cb 0.42 0.00 0.71 0.00 -2.08 0.00 0.00 39.78 38.84 3i6m n ASN 506 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3i6m n THR 507 N -0.00 0.00 -2.39 5.53 -2.24 -1.26 -4.86 114.28 109.05 3i6m n THR 507 Ca -0.00 -0.08 -0.27 0.00 -2.27 0.00 0.00 64.05 61.44 3i6m n THR 507 Cb 0.00 -0.13 0.03 0.00 -2.10 0.00 0.00 70.33 68.13 3i6m n THR 507 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3i6m s GLU 508 N -2.22 2.91 0.37 -0.78 8.01 -1.26 -5.02 118.70 120.71 3i6m s GLU 508 Ca 0.37 -0.01 -0.28 0.00 0.01 0.00 0.00 54.97 55.06 3i6m s GLU 508 Cb 0.21 -2.27 -0.10 0.00 -4.31 0.00 0.00 34.13 27.66 3i6m s GLU 508 CO 0.41 -0.71 1.42 -1.25 0.01 0.00 0.00 175.26 175.14 3i6m s PRO 509 N -4.99 4.12 0.39 0.39 0.04 -1.26 -4.87 135.00 128.81 3i6m s PRO 509 Ca 0.54 2.42 -0.23 0.00 0.04 0.00 0.00 61.00 63.78 3i6m s PRO 509 Cb -0.11 -2.94 -0.14 0.00 0.04 0.00 0.00 34.50 31.35 3i6m s PRO 509 CO 0.45 -0.47 0.43 -0.12 0.04 0.00 0.00 177.00 177.33 3i6m n MET 510 N 0.45 0.37 -3.73 4.56 1.56 -1.26 -4.99 117.12 114.08 3i6m n MET 510 Ca 0.01 0.13 -0.14 0.00 -0.27 0.00 0.00 57.70 57.44 3i6m n MET 510 Cb 0.41 -1.32 -0.14 0.00 2.15 0.00 0.00 33.22 34.32 3i6m n MET 510 CO 0.00 0.00 0.00 0.21 -0.73 0.00 0.00 175.97 175.45 3i6m s LYS 511 N -1.35 0.09 -0.09 2.12 2.20 -1.26 -5.06 119.74 116.39 3i6m s LYS 511 Ca 0.62 0.43 -0.10 0.00 -0.36 0.00 0.00 55.97 56.56 3i6m s LYS 511 Cb -0.65 -0.19 -0.05 0.00 -1.51 0.00 0.00 37.83 35.43 3i6m s LYS 511 CO 0.59 -0.19 0.23 0.08 -0.36 0.00 0.00 175.35 175.70 3i6m s VAL 512 N 1.41 5.35 0.36 4.02 1.01 -1.26 -2.52 120.40 128.77 3i6m s VAL 512 Ca -0.07 0.42 0.04 0.00 0.00 0.00 0.00 61.98 62.37 3i6m s VAL 512 Cb -0.12 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 3i6m s VAL 512 CO -0.06 0.58 0.15 1.41 0.00 0.00 0.00 175.10 177.18 3i6m n HIS 513 N 2.13 0.02 -4.00 5.22 -0.00 0.07 -4.97 115.22 113.69 3i6m n HIS 513 Ca -0.17 -2.42 -0.11 0.00 -0.00 0.00 0.00 57.72 55.02 3i6m n HIS 513 Cb 0.54 0.03 -0.12 0.00 -0.00 0.00 0.00 29.99 30.44 3i6m n HIS 513 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 3i6m s GLN 514 N -3.40 0.34 -0.96 -0.41 -0.21 -1.26 -1.34 119.66 112.42 3i6m s GLN 514 Ca 0.21 -0.56 -0.09 0.00 0.02 0.00 0.00 55.36 54.94 3i6m s GLN 514 Cb 0.01 -0.03 -0.02 0.00 1.00 0.00 0.00 33.01 33.97 3i6m s GLN 514 CO 0.15 -0.01 0.76 0.54 -2.12 0.00 0.00 175.29 174.61 3i6m n ARG 515 N 1.80 -1.47 -1.55 2.91 1.74 -0.90 -4.80 116.66 114.39 3i6m n ARG 515 Ca -0.22 0.86 -0.55 0.00 -0.77 0.00 0.00 57.85 57.17 3i6m n ARG 515 Cb 0.56 -4.57 -0.08 0.00 -1.02 0.00 0.00 32.46 27.34 3i6m n ARG 515 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3i6m n LEU 516 N -3.12 2.08 -4.35 0.55 7.94 -1.26 -1.87 117.00 116.96 3i6m n LEU 516 Ca -0.10 0.77 -0.37 0.00 -1.11 0.00 0.00 56.01 55.20 3i6m n LEU 516 Cb 0.59 -1.15 -0.06 0.00 0.53 0.00 0.00 43.42 43.32 3i6m n LEU 516 CO 0.61 -0.58 -0.21 0.54 -1.11 0.00 0.00 177.39 176.64 3i6m n ARG 517 N 6.76 -1.66 -0.28 1.96 1.74 -1.26 -4.88 116.66 119.05 3i6m n ARG 517 Ca 0.36 0.22 0.03 0.00 -0.77 0.00 0.00 57.85 57.68 3i6m n ARG 517 Cb 0.14 -4.53 0.17 0.00 -1.02 0.00 0.00 32.46 27.22 3i6m n ARG 517 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 3i6m h VAL 518 N -1.35 0.87 0.43 1.55 -1.51 -1.73 -1.23 116.25 113.28 3i6m h VAL 518 Ca -0.61 -0.25 -0.01 0.00 -1.23 0.00 0.00 66.70 64.60 3i6m h VAL 518 Cb 1.39 0.09 -0.02 0.00 -2.13 0.00 0.00 31.29 30.62 3i6m h VAL 518 CO 0.80 0.13 -0.41 -0.61 -1.23 0.00 0.00 177.57 176.24 3i6m h GLN 519 N 0.72 -0.82 -0.65 5.19 5.75 -1.89 0.25 115.11 123.64 3i6m h GLN 519 Ca 0.39 0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.89 3i6m h GLN 519 Cb 0.40 0.19 -0.03 0.00 1.07 0.00 0.00 27.48 29.11 3i6m h GLN 519 CO -0.27 -0.55 0.16 0.52 -2.65 0.00 0.00 178.83 176.04 3i6m h MET 520 N -0.86 1.02 0.00 1.69 2.86 -1.93 -2.90 114.93 114.82 3i6m h MET 520 Ca -0.04 -0.23 -0.11 0.00 -2.06 0.00 0.00 59.70 57.26 3i6m h MET 520 Cb 0.76 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 3i6m h MET 520 CO -0.06 0.91 -0.51 0.00 1.06 0.00 0.00 176.91 178.31 3i6m h VAL 522 N 0.00 1.21 0.07 0.00 2.07 -0.32 0.53 116.25 119.80 3i6m h VAL 522 Ca -0.01 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 3i6m h VAL 522 Cb 0.97 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 3i6m h VAL 522 CO 0.07 0.30 -0.03 0.15 0.02 0.00 0.00 177.57 178.07 3i6m h PHE 523 N 0.58 -0.08 -0.14 1.57 3.57 -1.12 -0.44 116.94 120.86 3i6m h PHE 523 Ca 0.12 -0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.47 3i6m h PHE 523 Cb 0.37 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 3i6m h PHE 523 CO 0.01 0.24 -0.54 -1.49 -2.23 0.00 0.00 178.31 174.30 3i6m h TRP 524 N -0.41 0.52 0.00 0.41 4.06 -0.96 0.52 115.95 120.10 3i6m h TRP 524 Ca -0.01 -0.18 -0.06 0.00 2.06 0.00 0.00 58.89 60.70 3i6m h TRP 524 Cb 0.36 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.41 3i6m h TRP 524 CO 0.03 0.87 -1.48 0.09 -3.56 0.00 0.00 178.44 174.39 3i6m n ASN 525 N -3.94 0.53 0.03 -3.49 3.02 0.18 -4.44 115.26 107.15 3i6m n ASN 525 Ca -0.03 0.21 -0.01 0.00 -0.03 0.00 0.00 54.58 54.73 3i6m n ASN 525 Cb 0.59 0.91 -0.00 0.00 -0.61 0.00 0.00 39.78 40.67 3i6m n ASN 525 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i6m n GLN 526 N -2.59 0.04 0.37 3.52 6.02 -0.24 -4.79 117.38 119.71 3i6m n GLN 526 Ca -0.05 0.02 -0.17 0.00 -0.01 0.00 0.00 57.00 56.79 3i6m n GLN 526 Cb 0.65 -0.50 -0.08 0.00 1.02 0.00 0.00 30.24 31.32 3i6m n GLN 526 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 3i6m h PHE 527 N -0.08 -0.88 -0.33 1.08 3.57 -1.31 -3.03 116.94 115.97 3i6m h PHE 527 Ca 0.00 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.53 3i6m h PHE 527 Cb 0.08 0.29 -0.05 0.00 2.79 0.00 0.00 35.95 39.06 3i6m h PHE 527 CO -0.03 -0.52 0.02 1.25 -2.23 0.00 0.00 178.31 176.80 3i6m h LEU 528 N -1.10 -0.08 -1.69 0.59 5.85 -1.15 -0.20 115.31 117.52 3i6m h LEU 528 Ca -0.10 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 3i6m h LEU 528 Cb 0.75 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 3i6m h LEU 528 CO 0.16 -0.01 -0.08 1.55 -0.34 0.00 0.00 178.44 179.72 3i6m h PRO 529 N 0.12 0.10 -0.43 5.25 0.13 -1.78 -0.10 132.00 135.29 3i6m h PRO 529 Ca 0.16 -0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 65.13 3i6m h PRO 529 Cb 0.20 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.31 3i6m h PRO 529 CO -0.25 0.18 -0.30 -0.22 -0.23 0.00 0.00 178.00 177.19 3i6m h LYS 530 N 0.09 0.96 0.01 0.86 3.64 -1.20 -1.73 116.57 119.21 3i6m h LYS 530 Ca 0.02 -0.46 -0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3i6m h LYS 530 Cb 0.21 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3i6m h LYS 530 CO 0.01 1.13 -0.00 1.25 -2.27 0.00 0.00 179.45 179.57 3i6m h LEU 531 N 0.80 -0.01 -1.21 5.20 6.46 -0.13 -1.61 115.31 124.81 3i6m h LEU 531 Ca 0.08 -0.06 -0.06 0.00 -0.12 0.00 0.00 57.88 57.73 3i6m h LEU 531 Cb 0.89 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.81 3i6m h LEU 531 CO 0.08 0.05 -0.05 -0.07 -0.62 0.00 0.00 178.44 177.83 3i6m h LEU 532 N -0.07 0.46 -0.50 2.25 3.38 -1.02 -0.46 115.31 119.34 3i6m h LEU 532 Ca -0.00 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 3i6m h LEU 532 Cb 0.07 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3i6m h LEU 532 CO 0.00 0.56 -0.51 -1.13 0.09 0.00 0.00 178.44 177.45 3i6m h ASN 533 N 0.46 0.00 0.25 -0.43 -1.24 -1.14 -3.27 115.58 110.21 3i6m h ASN 533 Ca 0.09 0.00 -0.34 0.00 0.71 0.00 0.00 56.30 56.76 3i6m h ASN 533 Cb 0.38 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.43 3i6m h ASN 533 CO 0.02 0.51 -1.73 0.00 -1.29 0.00 0.00 177.43 174.94 3i6m h ALA 534 N 1.49 0.22 -0.03 1.57 0.00 -0.95 -3.51 119.26 118.05 3i6m h ALA 534 Ca -0.01 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 53.74 3i6m h ALA 534 Cb 1.18 0.44 0.00 0.00 0.00 0.00 0.00 17.79 19.41 3i6m h ALA 534 CO 0.07 1.09 0.00 0.25 0.00 0.00 0.00 179.25 180.65