#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a9u n ARG 5 N 0.00 -1.47 -0.66 3.49 3.00 -1.26 -5.07 116.66 114.69 1a9u n ARG 5 Ca 0.00 1.58 0.00 0.00 -0.00 0.00 0.00 57.85 59.43 1a9u n ARG 5 Cb 0.00 -5.73 0.00 0.00 0.00 0.00 0.00 32.46 26.73 1a9u n ARG 5 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1a9u n PRO 6 N -1.57 1.04 -3.21 -0.14 -0.04 -1.26 -5.05 135.00 124.77 1a9u n PRO 6 Ca 0.01 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.09 1a9u n PRO 6 Cb 0.50 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.90 1a9u n PRO 6 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1a9u s THR 7 N 0.69 5.12 -0.08 0.52 2.01 -1.26 -4.99 115.64 117.65 1a9u s THR 7 Ca 0.00 1.11 -0.06 0.00 0.31 0.00 0.00 61.69 63.05 1a9u s THR 7 Cb 0.00 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 1a9u s THR 7 CO 0.00 0.26 0.16 -0.36 -0.69 0.00 0.00 174.62 173.99 1a9u s PHE 8 N 0.99 3.59 0.12 4.92 0.40 -1.26 -0.83 117.98 125.91 1a9u s PHE 8 Ca 0.29 0.49 0.09 0.00 -0.60 0.00 0.00 56.93 57.20 1a9u s PHE 8 Cb -0.16 -1.92 -0.04 0.00 0.51 0.00 0.00 43.02 41.42 1a9u s PHE 8 CO 0.12 0.71 -0.21 1.52 0.70 0.00 0.00 175.22 178.06 1a9u s TYR 9 N -1.12 1.84 0.16 0.36 1.13 0.99 -4.91 117.35 115.80 1a9u s TYR 9 Ca 0.19 -0.43 0.10 0.00 -1.41 0.00 0.00 57.07 55.53 1a9u s TYR 9 Cb -0.12 -0.99 -0.04 0.00 -1.10 0.00 0.00 41.96 39.71 1a9u s TYR 9 CO 0.09 0.25 -0.23 0.50 -2.51 0.00 0.00 175.55 173.64 1a9u s ARG 10 N -2.13 1.38 0.22 -3.49 3.52 -1.26 -1.69 118.95 115.51 1a9u s ARG 10 Ca 0.09 -1.40 -0.18 0.00 -0.13 0.00 0.00 55.73 54.11 1a9u s ARG 10 Cb -0.09 -1.70 0.03 0.00 -1.56 0.00 0.00 34.95 31.63 1a9u s ARG 10 CO 0.05 0.38 0.58 1.14 -0.81 0.00 0.00 175.30 176.64 1a9u s GLN 11 N -2.41 1.51 -0.22 5.12 -2.07 -0.48 -4.98 119.66 116.13 1a9u s GLN 11 Ca 0.16 -0.91 0.02 0.00 -1.82 0.00 0.00 55.36 52.81 1a9u s GLN 11 Cb -0.08 0.55 0.04 0.00 -1.09 0.00 0.00 33.01 32.43 1a9u s GLN 11 CO 0.07 -0.66 -0.14 -2.00 -1.32 0.00 0.00 175.29 171.24 1a9u s GLU 12 N -3.89 2.51 -0.18 9.60 2.12 -1.26 -0.54 118.70 127.05 1a9u s GLU 12 Ca 0.11 -1.10 0.01 0.00 0.36 0.00 0.00 54.97 54.35 1a9u s GLU 12 Cb -0.02 -2.72 0.04 0.00 0.26 0.00 0.00 34.13 31.68 1a9u s GLU 12 CO 0.01 -0.42 -0.12 -0.51 -0.54 0.00 0.00 175.26 173.68 1a9u s LEU 13 N 1.20 2.11 -0.93 2.70 1.43 -0.61 -4.66 118.68 119.92 1a9u s LEU 13 Ca -0.03 -0.76 -0.05 0.00 -1.03 0.00 0.00 54.13 52.26 1a9u s LEU 13 Cb -0.17 -1.24 0.01 0.00 0.03 0.00 0.00 46.19 44.82 1a9u s LEU 13 CO -0.08 -0.11 0.62 0.59 0.23 0.00 0.00 176.35 177.60 1a9u n ASN 14 N 4.70 -4.72 -1.54 2.29 4.13 -1.26 -2.49 115.26 116.37 1a9u n ASN 14 Ca -0.16 -0.29 -0.18 0.00 1.68 0.00 0.00 54.58 55.64 1a9u n ASN 14 Cb 0.48 -3.42 -0.06 0.00 -1.54 0.00 0.00 39.78 35.24 1a9u n ASN 14 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1a9u n LYS 15 N -3.21 -1.28 -4.50 3.52 4.01 -1.26 -4.98 118.16 110.46 1a9u n LYS 15 Ca -0.03 1.05 -0.33 0.00 -0.51 0.00 0.00 58.31 58.50 1a9u n LYS 15 Cb 0.55 -5.37 -0.15 0.00 -0.51 0.00 0.00 35.03 29.55 1a9u n LYS 15 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1a9u s THR 16 N -2.72 2.55 0.10 -0.18 2.01 -1.04 -5.10 115.64 111.27 1a9u s THR 16 Ca 0.00 -0.80 -0.29 0.00 0.31 0.00 0.00 61.69 60.90 1a9u s THR 16 Cb 0.00 -2.07 -0.06 0.00 0.01 0.00 0.00 72.50 70.38 1a9u s THR 16 CO 0.00 0.52 0.93 -0.63 -0.69 0.00 0.00 174.62 174.75 1a9u s ILE 17 N 0.88 4.53 -0.13 1.82 -1.09 -1.26 -1.57 121.20 124.38 1a9u s ILE 17 Ca -0.04 2.01 0.00 0.00 -2.23 0.00 0.00 60.65 60.38 1a9u s ILE 17 Cb -0.15 -4.29 0.02 0.00 -1.58 0.00 0.00 42.46 36.46 1a9u s ILE 17 CO -0.01 0.33 -0.11 0.26 -1.23 0.00 0.00 174.94 174.17 1a9u s TRP 18 N -0.04 1.81 -0.47 3.97 0.52 0.30 -4.99 118.94 120.05 1a9u s TRP 18 Ca 0.46 -0.96 0.01 0.00 0.02 0.00 0.00 56.10 55.63 1a9u s TRP 18 Cb -0.23 -1.40 0.12 0.00 -1.15 0.00 0.00 33.47 30.82 1a9u s TRP 18 CO 0.29 -0.57 0.23 -2.00 0.02 0.00 0.00 176.95 174.92 1a9u s GLU 19 N 1.54 1.98 0.22 4.98 2.12 -1.26 -1.38 118.70 126.89 1a9u s GLU 19 Ca 0.04 -2.25 0.10 0.00 0.36 0.00 0.00 54.97 53.22 1a9u s GLU 19 Cb -0.13 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.78 1a9u s GLU 19 CO -0.09 -1.07 -0.20 0.14 -0.54 0.00 0.00 175.26 173.50 1a9u s VAL 20 N 0.35 2.18 0.78 3.70 -7.23 -0.68 -4.55 120.40 114.96 1a9u s VAL 20 Ca 0.14 -2.16 -0.13 0.00 -1.81 0.00 0.00 61.98 58.01 1a9u s VAL 20 Cb -0.22 -2.11 0.07 0.00 0.56 0.00 0.00 36.38 34.68 1a9u s VAL 20 CO -0.04 -0.33 1.17 -2.84 -0.31 0.00 0.00 175.10 172.75 1a9u s PRO 21 N -3.13 1.90 0.56 4.82 0.02 -1.26 -0.01 135.00 137.90 1a9u s PRO 21 Ca 0.23 1.61 0.37 0.00 0.02 0.00 0.00 61.00 63.23 1a9u s PRO 21 Cb -0.05 -1.82 1.89 0.00 0.02 0.00 0.00 34.50 34.54 1a9u s PRO 21 CO 0.10 -1.99 2.13 0.93 -0.33 0.00 0.00 177.00 177.84 1a9u h GLU 22 N -0.79 0.00 -0.06 5.54 5.08 -1.34 -2.76 114.58 120.25 1a9u h GLU 22 Ca -0.46 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.91 1a9u h GLU 22 Cb 1.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 1a9u h GLU 22 CO 0.48 0.00 0.04 0.07 -1.00 0.00 0.00 179.01 178.60 1a9u h ARG 23 N 0.00 0.05 -5.59 2.33 0.11 -1.90 -3.39 114.38 105.99 1a9u h ARG 23 Ca 0.00 -0.00 -0.63 0.00 0.10 0.00 0.00 59.98 59.45 1a9u h ARG 23 Cb 0.15 -0.01 -0.13 0.00 1.11 0.00 0.00 29.97 31.09 1a9u h ARG 23 CO 0.00 0.03 0.23 0.71 0.10 0.00 0.00 179.97 181.04 1a9u s TYR 24 N -5.11 3.13 0.32 4.08 2.02 -1.04 -0.49 117.35 120.25 1a9u s TYR 24 Ca -0.05 0.38 0.11 0.00 -0.37 0.00 0.00 57.07 57.14 1a9u s TYR 24 Cb 0.17 -3.26 -0.06 0.00 -0.40 0.00 0.00 41.96 38.41 1a9u s TYR 24 CO 0.68 -0.69 -0.13 -0.65 -1.57 0.00 0.00 175.55 173.18 1a9u s GLN 25 N 2.87 1.79 -0.98 -0.62 -1.52 -0.04 -4.84 119.66 116.32 1a9u s GLN 25 Ca 0.27 -1.85 -0.12 0.00 -1.95 0.00 0.00 55.36 51.71 1a9u s GLN 25 Cb -0.14 -1.75 0.00 0.00 -0.22 0.00 0.00 33.01 30.90 1a9u s GLN 25 CO 0.16 0.22 0.71 0.09 -0.25 0.00 0.00 175.29 176.23 1a9u n ASN 26 N -0.73 -5.56 -4.71 5.90 3.02 -1.26 -0.42 115.26 111.49 1a9u n ASN 26 Ca -0.05 -0.85 -0.41 0.00 -0.03 0.00 0.00 54.58 53.24 1a9u n ASN 26 Cb 0.62 -3.08 -0.04 0.00 -0.61 0.00 0.00 39.78 36.67 1a9u n ASN 26 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1a9u s LEU 27 N -5.65 4.35 -0.08 3.41 1.02 -1.26 -4.25 118.68 116.23 1a9u s LEU 27 Ca 0.25 1.50 -0.01 0.00 0.02 0.00 0.00 54.13 55.89 1a9u s LEU 27 Cb -0.10 -3.40 0.03 0.00 0.02 0.00 0.00 46.19 42.74 1a9u s LEU 27 CO 0.86 -0.20 -0.04 -0.94 0.02 0.00 0.00 176.35 176.05 1a9u s SER 28 N 0.91 1.74 0.28 2.29 1.04 0.20 -4.94 113.70 115.23 1a9u s SER 28 Ca 0.47 -0.18 -0.26 0.00 0.48 0.00 0.00 55.95 56.45 1a9u s SER 28 Cb -0.20 -0.61 -0.15 0.00 0.10 0.00 0.00 66.02 65.16 1a9u s SER 28 CO 0.25 -0.14 0.63 -2.65 0.98 0.00 0.00 173.24 172.31 1a9u n PRO 29 N 4.88 0.49 0.00 4.02 -0.02 -1.26 -1.73 135.00 141.38 1a9u n PRO 29 Ca -0.12 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1a9u n PRO 29 Cb 0.50 -1.33 0.00 0.00 -0.02 0.00 0.00 33.50 32.65 1a9u n PRO 29 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1a9u n VAL 30 N -0.18 0.00 0.00 -1.45 3.14 -0.32 -4.76 118.33 114.76 1a9u n VAL 30 Ca 0.14 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.52 1a9u n VAL 30 Cb 0.31 1.37 0.00 0.00 -1.06 0.00 0.00 33.84 34.46 1a9u n VAL 30 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1a9u n GLY 31 N 0.00 3.00 3.48 7.55 0.00 -1.10 -4.92 105.19 113.22 1a9u n GLY 31 Ca 0.00 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 1a9u n GLY 31 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a9u s SER 32 N 0.00 0.72 0.00 1.61 0.15 -1.26 0.02 113.70 114.95 1a9u s SER 32 Ca 0.00 -1.40 0.00 0.00 0.70 0.00 0.00 55.95 55.25 1a9u s SER 32 Cb 0.00 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.94 1a9u s SER 32 CO 0.00 -1.24 0.00 0.61 1.20 0.00 0.00 173.24 173.81 1a9u n GLY 33 N -0.52 -1.12 0.36 9.45 0.00 -0.57 -4.95 105.19 107.85 1a9u n GLY 33 Ca 0.01 -1.33 -0.00 0.00 0.00 0.00 0.00 46.02 44.69 1a9u n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9u h ALA 34 N 0.00 1.40 -0.03 4.61 0.00 -2.02 -2.65 119.26 120.57 1a9u h ALA 34 Ca 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1a9u h ALA 34 Cb 0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 1a9u h ALA 34 CO 0.00 0.55 -0.10 0.10 0.00 0.00 0.00 179.25 179.80 1a9u h TYR 35 N 1.16 0.04 0.00 0.00 -0.00 -1.96 -3.43 116.97 112.78 1a9u h TYR 35 Ca 0.33 -0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.06 1a9u h TYR 35 Cb -0.09 -0.01 0.00 0.00 -0.00 0.00 0.00 36.73 36.63 1a9u h TYR 35 CO -0.00 0.14 0.00 0.41 -0.00 0.00 0.00 178.16 178.71 1a9u n GLY 36 N -1.21 0.25 3.09 0.10 0.00 -1.00 -1.06 105.19 105.36 1a9u n GLY 36 Ca -0.02 -1.13 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 1a9u n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a9u s SER 37 N -4.00 0.68 0.01 1.61 0.01 -0.79 -1.51 113.70 109.72 1a9u s SER 37 Ca 0.00 -0.83 0.08 0.00 1.31 0.00 0.00 55.95 56.51 1a9u s SER 37 Cb 0.00 0.12 -0.02 0.00 0.21 0.00 0.00 66.02 66.33 1a9u s SER 37 CO 0.00 -0.44 -0.23 -0.69 0.41 0.00 0.00 173.24 172.29 1a9u s VAL 38 N -2.93 1.82 0.16 3.43 1.01 0.10 -0.85 120.40 123.13 1a9u s VAL 38 Ca 0.01 -1.12 0.07 0.00 0.00 0.00 0.00 61.98 60.93 1a9u s VAL 38 Cb 0.01 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1a9u s VAL 38 CO -0.05 0.39 -0.14 0.00 0.00 0.00 0.00 175.10 175.30 1a9u s ALA 40 N -2.69 3.21 0.28 0.00 0.00 -0.70 -0.78 121.76 121.07 1a9u s ALA 40 Ca 0.16 -0.83 -0.14 0.00 0.00 0.00 0.00 51.96 51.16 1a9u s ALA 40 Cb -0.02 -1.42 0.01 0.00 0.00 0.00 0.00 23.12 21.69 1a9u s ALA 40 CO 0.04 0.58 0.57 0.00 0.00 0.00 0.00 175.76 176.95 1a9u s ALA 41 N -0.85 -0.41 -0.18 0.00 0.00 -0.78 -0.63 121.76 118.92 1a9u s ALA 41 Ca 0.13 -0.81 -0.03 0.00 0.00 0.00 0.00 51.96 51.24 1a9u s ALA 41 Cb -0.11 0.98 -0.02 0.00 0.00 0.00 0.00 23.12 23.97 1a9u s ALA 41 CO 0.02 -0.91 -0.04 0.12 0.00 0.00 0.00 175.76 174.95 1a9u s PHE 42 N -3.67 2.97 -0.57 0.00 5.36 0.44 -1.36 117.98 121.16 1a9u s PHE 42 Ca 0.20 -0.58 -0.21 0.00 -0.96 0.00 0.00 56.93 55.38 1a9u s PHE 42 Cb -0.02 -2.01 0.07 0.00 -0.34 0.00 0.00 43.02 40.71 1a9u s PHE 42 CO 0.10 -0.27 0.77 0.34 -1.46 0.00 0.00 175.22 174.71 1a9u s ASP 43 N 0.85 6.22 0.50 6.13 2.15 -0.29 -0.86 116.67 131.37 1a9u s ASP 43 Ca -0.01 -0.94 0.16 0.00 0.43 0.00 0.00 52.55 52.18 1a9u s ASP 43 Cb -0.15 -2.35 1.21 0.00 -0.30 0.00 0.00 42.92 41.34 1a9u s ASP 43 CO 0.01 -1.12 2.11 0.71 -0.17 0.00 0.00 175.17 176.71 1a9u h THR 44 N 5.93 0.98 0.00 1.71 1.35 -1.10 0.57 112.91 122.35 1a9u h THR 44 Ca -0.28 -0.04 -0.16 0.00 -0.55 0.00 0.00 66.41 65.39 1a9u h THR 44 Cb 1.08 0.86 -0.02 0.00 -1.73 0.00 0.00 68.15 68.35 1a9u h THR 44 CO 1.06 0.02 -0.75 0.50 -0.25 0.00 0.00 175.52 176.11 1a9u h LYS 45 N 0.11 0.00 0.00 4.72 3.64 -1.92 -3.34 116.57 119.78 1a9u h LYS 45 Ca 0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1a9u h LYS 45 Cb 0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1a9u h LYS 45 CO -0.01 0.75 -0.52 0.25 -2.27 0.00 0.00 179.45 177.65 1a9u n THR 46 N -3.44 0.00 -0.99 1.00 -2.24 -1.09 -5.00 114.28 102.53 1a9u n THR 46 Ca 0.00 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1a9u n THR 46 Cb 0.78 0.92 0.00 0.00 -2.10 0.00 0.00 70.33 69.93 1a9u n THR 46 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a9u n GLY 47 N 1.29 0.33 3.91 3.38 0.00 0.20 -5.01 105.19 109.30 1a9u n GLY 47 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 1a9u n GLY 47 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a9u s LEU 48 N 0.00 3.98 -0.24 0.99 1.43 -1.22 -4.86 118.68 118.76 1a9u s LEU 48 Ca 0.00 0.75 -0.17 0.00 -1.03 0.00 0.00 54.13 53.67 1a9u s LEU 48 Cb 0.00 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.60 1a9u s LEU 48 CO 0.00 -0.27 0.47 -0.13 0.23 0.00 0.00 176.35 176.65 1a9u s ARG 49 N -3.82 4.10 0.37 1.70 1.81 -1.26 -1.14 118.95 120.71 1a9u s ARG 49 Ca 0.45 0.27 0.08 0.00 -1.72 0.00 0.00 55.73 54.81 1a9u s ARG 49 Cb -0.10 -3.61 -0.07 0.00 -0.45 0.00 0.00 34.95 30.72 1a9u s ARG 49 CO 0.32 -0.24 -0.01 0.14 -0.68 0.00 0.00 175.30 174.84 1a9u s VAL 50 N 1.94 2.26 -0.16 3.52 -7.23 -0.46 -1.29 120.40 118.98 1a9u s VAL 50 Ca 0.20 -2.03 -0.02 0.00 -1.81 0.00 0.00 61.98 58.32 1a9u s VAL 50 Cb -0.15 -2.83 -0.02 0.00 0.56 0.00 0.00 36.38 33.94 1a9u s VAL 50 CO 0.09 -0.12 -0.08 0.00 -0.31 0.00 0.00 175.10 174.69 1a9u s ALA 51 N -2.62 2.79 -0.22 1.32 0.00 0.12 -1.86 121.76 121.30 1a9u s ALA 51 Ca 0.35 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 51.34 1a9u s ALA 51 Cb 0.04 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.72 1a9u s ALA 51 CO 0.18 0.07 -0.06 0.08 0.00 0.00 0.00 175.76 176.03 1a9u s VAL 52 N 0.63 3.10 -0.17 0.00 1.01 0.04 -1.47 120.40 123.54 1a9u s VAL 52 Ca -0.05 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 1a9u s VAL 52 Cb -0.15 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1a9u s VAL 52 CO 0.03 0.38 0.01 -0.75 0.00 0.00 0.00 175.10 174.77 1a9u s LYS 53 N 1.42 3.82 -0.30 2.72 2.20 0.87 -0.54 119.74 129.94 1a9u s LYS 53 Ca 0.04 -0.43 -0.09 0.00 -0.36 0.00 0.00 55.97 55.13 1a9u s LYS 53 Cb -0.15 -3.07 -0.02 0.00 -1.51 0.00 0.00 37.83 33.09 1a9u s LYS 53 CO -0.05 0.25 0.15 0.21 -0.36 0.00 0.00 175.35 175.55 1a9u s LYS 54 N 0.39 3.47 -0.09 4.03 2.20 -0.03 -0.56 119.74 129.16 1a9u s LYS 54 Ca -0.00 -0.63 -0.30 0.00 -0.36 0.00 0.00 55.97 54.68 1a9u s LYS 54 Cb -0.13 -3.54 -0.02 0.00 -1.51 0.00 0.00 37.83 32.62 1a9u s LYS 54 CO 0.02 -0.35 1.12 -0.51 -0.36 0.00 0.00 175.35 175.27 1a9u s LEU 55 N 1.64 4.25 0.00 5.43 1.43 -0.58 -1.88 118.68 128.96 1a9u s LEU 55 Ca 0.05 1.69 0.00 0.00 -1.03 0.00 0.00 54.13 54.84 1a9u s LEU 55 Cb -0.17 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.50 1a9u s LEU 55 CO 0.06 -0.54 0.14 -1.54 0.23 0.00 0.00 176.35 174.70 1a9u n SER 56 N 5.23 0.00 -3.40 2.29 3.41 -0.22 -4.39 113.62 116.53 1a9u n SER 56 Ca 0.10 0.14 -0.22 0.00 -0.26 0.00 0.00 58.87 58.63 1a9u n SER 56 Cb 0.47 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.32 1a9u n SER 56 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1a9u s ARG 57 N -0.41 0.60 0.45 4.33 1.81 -1.26 -4.98 118.95 119.49 1a9u s ARG 57 Ca 0.00 -1.08 0.17 0.00 -1.72 0.00 0.00 55.73 53.09 1a9u s ARG 57 Cb 0.00 -0.98 1.06 0.00 -0.45 0.00 0.00 34.95 34.58 1a9u s ARG 57 CO 0.00 -1.21 1.99 -1.00 -0.68 0.00 0.00 175.30 174.41 1a9u h PRO 58 N 7.02 0.00 -1.44 3.54 0.13 -1.81 -3.29 132.00 136.15 1a9u h PRO 58 Ca 0.06 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.54 1a9u h PRO 58 Cb 1.02 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.78 1a9u h PRO 58 CO 0.22 0.19 -0.04 1.19 -0.23 0.00 0.00 178.00 179.33 1a9u n PHE 59 N -4.18 3.15 1.49 1.56 3.72 -1.26 -1.59 117.46 120.35 1a9u n PHE 59 Ca -0.02 -2.72 0.14 0.00 -0.05 0.00 0.00 57.45 54.80 1a9u n PHE 59 Cb 0.26 -0.61 0.52 0.00 -0.94 0.00 0.00 39.48 38.70 1a9u n PHE 59 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a9u n GLN 60 N -0.60 1.68 -3.56 -1.08 10.64 -1.24 -4.85 117.38 118.37 1a9u n GLN 60 Ca 0.47 -0.99 -0.07 0.00 -1.83 0.00 0.00 57.00 54.59 1a9u n GLN 60 Cb 0.60 -1.48 -0.02 0.00 -0.86 0.00 0.00 30.24 28.48 1a9u n GLN 60 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 1a9u s SER 61 N -2.00 -0.28 0.35 2.61 1.04 -1.26 -4.98 113.70 109.18 1a9u s SER 61 Ca 0.38 -0.05 0.05 0.00 0.48 0.00 0.00 55.95 56.80 1a9u s SER 61 Cb 0.21 0.34 0.66 0.00 0.10 0.00 0.00 66.02 67.33 1a9u s SER 61 CO 0.33 -0.56 1.92 0.40 0.98 0.00 0.00 173.24 176.31 1a9u h ILE 62 N 2.00 1.17 -0.21 -1.02 2.04 -1.95 -0.73 117.51 118.81 1a9u h ILE 62 Ca -0.20 -0.63 -0.18 0.00 1.00 0.00 0.00 64.86 64.85 1a9u h ILE 62 Cb 1.22 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1a9u h ILE 62 CO 0.28 0.23 -0.59 0.40 0.00 0.00 0.00 178.15 178.47 1a9u h ILE 63 N 0.52 1.30 -0.09 -0.67 1.08 -1.96 -1.82 117.51 115.87 1a9u h ILE 63 Ca 0.12 -1.82 -0.06 0.00 -0.39 0.00 0.00 64.86 62.71 1a9u h ILE 63 Cb 0.22 1.77 0.00 0.00 -3.07 0.00 0.00 36.82 35.75 1a9u h ILE 63 CO -0.00 0.58 -0.17 0.45 -0.69 0.00 0.00 178.15 178.31 1a9u h HIS 64 N 0.52 0.34 -0.02 1.37 3.86 -1.73 -1.28 115.15 118.20 1a9u h HIS 64 Ca -0.00 -0.12 0.01 0.00 -1.16 0.00 0.00 60.37 59.09 1a9u h HIS 64 Cb 1.17 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 29.58 1a9u h HIS 64 CO 0.06 0.78 0.02 0.00 0.86 0.00 0.00 177.93 179.65 1a9u h ALA 65 N 0.50 1.92 -0.03 2.45 0.00 -0.13 -0.18 119.26 123.80 1a9u h ALA 65 Ca 0.00 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1a9u h ALA 65 Cb 0.76 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.56 1a9u h ALA 65 CO 0.04 -0.03 -0.39 -0.22 0.00 0.00 0.00 179.25 178.65 1a9u h LYS 66 N 0.00 0.32 -0.42 0.00 3.64 -1.18 -2.26 116.57 116.67 1a9u h LYS 66 Ca 0.01 -0.30 -0.04 0.00 -1.27 0.00 0.00 60.65 59.05 1a9u h LYS 66 Cb 0.05 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1a9u h LYS 66 CO -0.00 0.98 0.08 -0.09 -2.27 0.00 0.00 179.45 178.15 1a9u h ARG 67 N -0.23 0.63 -0.05 1.90 1.12 -0.56 0.23 114.38 117.42 1a9u h ARG 67 Ca -0.04 -0.12 -0.01 0.00 -1.11 0.00 0.00 59.98 58.71 1a9u h ARG 67 Cb 1.09 -0.10 -0.00 0.00 -0.01 0.00 0.00 29.97 30.95 1a9u h ARG 67 CO 0.08 0.59 0.01 1.15 -3.11 0.00 0.00 179.97 178.69 1a9u h THR 68 N 0.61 1.21 -0.43 0.20 2.02 -1.09 0.19 112.91 115.63 1a9u h THR 68 Ca 0.14 -0.65 0.01 0.00 0.77 0.00 0.00 66.41 66.68 1a9u h THR 68 Cb 0.26 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 1a9u h THR 68 CO -0.00 0.18 0.27 0.22 0.37 0.00 0.00 175.52 176.55 1a9u h TYR 69 N -0.17 0.50 -0.63 3.16 3.20 -0.94 -2.05 116.97 120.04 1a9u h TYR 69 Ca 0.01 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.93 1a9u h TYR 69 Cb 0.28 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 1a9u h TYR 69 CO 0.02 0.30 0.38 -0.09 -1.64 0.00 0.00 178.16 177.13 1a9u h ARG 70 N 0.54 0.73 -0.00 1.82 2.43 -0.33 -1.46 114.38 118.11 1a9u h ARG 70 Ca 0.16 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1a9u h ARG 70 Cb -0.03 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1a9u h ARG 70 CO -0.06 0.48 0.00 1.49 -1.51 0.00 0.00 179.97 180.38 1a9u h GLU 71 N 0.75 0.00 -0.16 0.20 4.81 -0.26 -0.94 114.58 118.99 1a9u h GLU 71 Ca 0.25 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.51 1a9u h GLU 71 Cb 0.03 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 1a9u h GLU 71 CO -0.11 0.13 -0.02 1.25 -0.73 0.00 0.00 179.01 179.53 1a9u h LEU 72 N -0.12 -0.11 -0.11 1.64 5.85 -1.22 0.45 115.31 121.69 1a9u h LEU 72 Ca 0.00 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.79 1a9u h LEU 72 Cb 0.13 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1a9u h LEU 72 CO -0.00 -0.03 -0.08 0.03 -0.34 0.00 0.00 178.44 178.02 1a9u h ARG 73 N 0.03 -0.08 0.25 1.25 2.47 -1.20 0.61 114.38 117.71 1a9u h ARG 73 Ca 0.08 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.81 1a9u h ARG 73 Cb 0.11 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.42 1a9u h ARG 73 CO -0.15 -0.05 -0.33 -0.07 0.56 0.00 0.00 179.97 179.93 1a9u h LEU 74 N -0.08 -0.91 -1.24 3.04 3.38 -0.85 -0.58 115.31 118.08 1a9u h LEU 74 Ca 0.07 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1a9u h LEU 74 Cb 0.19 0.32 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1a9u h LEU 74 CO -0.16 -0.45 0.31 -0.07 0.09 0.00 0.00 178.44 178.16 1a9u h LEU 75 N -0.64 0.75 -1.36 1.67 4.07 -0.73 -1.34 115.31 117.73 1a9u h LEU 75 Ca -0.00 -0.06 -0.07 0.00 0.08 0.00 0.00 57.88 57.83 1a9u h LEU 75 Cb 0.61 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 1a9u h LEU 75 CO -0.11 0.62 -0.32 0.11 -1.08 0.00 0.00 178.44 177.67 1a9u h LYS 76 N 0.84 0.00 0.20 1.13 1.57 0.60 -3.23 116.57 117.68 1a9u h LYS 76 Ca 0.21 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.66 1a9u h LYS 76 Cb 0.06 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.38 1a9u h LYS 76 CO -0.03 0.32 -1.58 1.25 -0.57 0.00 0.00 179.45 178.84 1a9u h HIS 77 N 0.00 0.76 -1.66 -1.35 2.76 -0.04 -3.46 115.15 112.16 1a9u h HIS 77 Ca -0.00 -0.56 -0.48 0.00 -2.20 0.00 0.00 60.37 57.13 1a9u h HIS 77 Cb 0.59 -0.03 0.01 0.00 1.55 0.00 0.00 27.41 29.52 1a9u h HIS 77 CO 0.00 1.56 1.62 -1.33 -1.30 0.00 0.00 177.93 178.47 1a9u n MET 78 N -3.61 1.18 -3.49 5.26 2.81 -0.72 -4.90 117.12 113.65 1a9u n MET 78 Ca -0.19 0.08 -0.27 0.00 -1.81 0.00 0.00 57.70 55.51 1a9u n MET 78 Cb 1.08 -3.42 -0.09 0.00 -0.71 0.00 0.00 33.22 30.08 1a9u n MET 78 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1a9u n LYS 79 N 8.97 2.14 -3.83 0.03 4.76 -1.26 -4.47 118.16 124.50 1a9u n LYS 79 Ca 0.36 -4.44 -0.12 0.00 -2.87 0.00 0.00 58.31 51.23 1a9u n LYS 79 Cb 0.53 -2.14 -0.12 0.00 -1.84 0.00 0.00 35.03 31.46 1a9u n LYS 79 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1a9u s HIS 80 N -2.08 -0.13 0.29 2.13 2.46 -1.26 -5.05 115.29 111.64 1a9u s HIS 80 Ca 0.36 0.32 0.03 0.00 0.47 0.00 0.00 55.06 56.25 1a9u s HIS 80 Cb 0.11 0.04 0.66 0.00 -0.13 0.00 0.00 32.58 33.27 1a9u s HIS 80 CO -0.06 -0.09 1.78 0.93 -2.47 0.00 0.00 174.74 174.83 1a9u h GLU 81 N 5.80 0.72 -0.59 2.88 5.08 -1.97 -2.12 114.58 124.38 1a9u h GLU 81 Ca -0.25 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.06 1a9u h GLU 81 Cb 1.20 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1a9u h GLU 81 CO 0.42 0.48 0.00 0.09 -1.00 0.00 0.00 179.01 179.00 1a9u n ASN 82 N -4.79 3.34 -4.14 1.42 5.03 -1.26 -4.79 115.26 110.08 1a9u n ASN 82 Ca 0.21 -2.26 -0.19 0.00 0.87 0.00 0.00 54.58 53.21 1a9u n ASN 82 Cb 0.51 -0.46 -0.13 0.00 -1.02 0.00 0.00 39.78 38.69 1a9u n ASN 82 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1a9u s VAL 83 N -1.68 1.08 0.32 2.41 1.01 -0.80 -0.39 120.40 122.36 1a9u s VAL 83 Ca 0.35 -1.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 1a9u s VAL 83 Cb 0.22 -1.00 -0.11 0.00 0.00 0.00 0.00 36.38 35.50 1a9u s VAL 83 CO 0.18 -0.05 1.42 -0.51 0.00 0.00 0.00 175.10 176.15 1a9u s ILE 84 N -0.93 2.45 0.33 2.22 2.07 -0.40 -4.54 121.20 122.39 1a9u s ILE 84 Ca 0.01 0.43 0.06 0.00 -1.41 0.00 0.00 60.65 59.73 1a9u s ILE 84 Cb -0.08 -3.27 -0.06 0.00 0.13 0.00 0.00 42.46 39.17 1a9u s ILE 84 CO 0.01 0.09 -0.01 -0.83 -1.91 0.00 0.00 174.94 172.29 1a9u s GLY 85 N -0.06 2.08 -0.25 1.50 0.00 -1.26 -4.76 107.32 104.55 1a9u s GLY 85 Ca 0.54 -2.05 -0.12 0.00 0.00 0.00 0.00 44.72 43.09 1a9u s GLY 85 CO 0.53 -1.90 0.24 -2.27 0.00 0.00 0.00 173.10 169.69 1a9u s LEU 86 N -3.52 4.07 -0.07 0.66 0.20 -1.24 -4.59 118.68 114.20 1a9u s LEU 86 Ca 0.33 0.15 0.00 0.00 0.69 0.00 0.00 54.13 55.30 1a9u s LEU 86 Cb 0.07 -2.22 -0.26 0.00 -0.43 0.00 0.00 46.19 43.35 1a9u s LEU 86 CO 0.15 -0.04 0.57 -0.07 -0.29 0.00 0.00 176.35 176.67 1a9u h LEU 87 N 8.03 0.28 -7.22 -0.68 3.38 -1.37 -3.43 115.31 114.29 1a9u h LEU 87 Ca -0.36 -0.56 0.07 0.00 0.09 0.00 0.00 57.88 57.13 1a9u h LEU 87 Cb 1.17 -0.09 -0.12 0.00 0.09 0.00 0.00 40.66 41.72 1a9u h LEU 87 CO 0.62 1.49 0.36 -0.62 0.09 0.00 0.00 178.44 180.39 1a9u s ASP 88 N -6.72 -0.39 -0.18 -0.43 2.15 -1.09 -4.57 116.67 105.44 1a9u s ASP 88 Ca -0.14 -0.14 -0.13 0.00 0.43 0.00 0.00 52.55 52.58 1a9u s ASP 88 Cb 0.07 0.52 0.05 0.00 -0.30 0.00 0.00 42.92 43.26 1a9u s ASP 88 CO 0.81 -0.87 0.45 -0.69 -0.17 0.00 0.00 175.17 174.69 1a9u s VAL 89 N -3.46 -0.01 0.25 1.11 1.01 -1.26 -1.29 120.40 116.75 1a9u s VAL 89 Ca 0.05 0.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.95 1a9u s VAL 89 Cb -0.02 -0.64 -0.00 0.00 0.00 0.00 0.00 36.38 35.72 1a9u s VAL 89 CO -0.07 0.02 0.50 0.72 0.00 0.00 0.00 175.10 176.27 1a9u s PHE 90 N 0.84 0.35 -0.17 5.22 -0.12 -1.05 -4.93 117.98 118.12 1a9u s PHE 90 Ca -0.05 -0.71 -0.13 0.00 -0.05 0.00 0.00 56.93 55.99 1a9u s PHE 90 Cb -0.06 0.22 0.05 0.00 -0.63 0.00 0.00 43.02 42.60 1a9u s PHE 90 CO -0.07 -1.02 0.43 -0.08 -0.05 0.00 0.00 175.22 174.43 1a9u s THR 91 N -3.97 -0.01 -0.58 -4.49 -1.32 -1.26 -1.81 115.64 102.20 1a9u s THR 91 Ca 0.22 0.03 0.22 0.00 -1.21 0.00 0.00 61.69 60.95 1a9u s THR 91 Cb -0.01 -0.61 0.22 0.00 -1.51 0.00 0.00 72.50 70.59 1a9u s THR 91 CO 0.09 0.01 1.67 -0.81 -2.21 0.00 0.00 174.62 173.37 1a9u n PRO 92 N 3.39 0.16 -1.72 7.08 -0.04 -1.26 -4.82 135.00 137.78 1a9u n PRO 92 Ca -0.17 0.39 -0.43 0.00 -0.04 0.00 0.00 63.50 63.25 1a9u n PRO 92 Cb 0.56 -1.80 -0.02 0.00 -0.04 0.00 0.00 33.50 32.20 1a9u n PRO 92 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a9u n ALA 93 N -1.72 1.99 0.35 0.55 0.00 -1.26 -4.93 120.51 115.49 1a9u n ALA 93 Ca 0.02 0.38 0.12 0.00 0.00 0.00 0.00 53.44 53.96 1a9u n ALA 93 Cb 0.22 -2.39 0.05 0.00 0.00 0.00 0.00 19.45 17.34 1a9u n ALA 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1a9u n ARG 94 N 1.91 0.44 -3.98 0.00 1.74 -1.26 -4.95 116.66 110.56 1a9u n ARG 94 Ca 0.09 0.07 -0.09 0.00 -0.77 0.00 0.00 57.85 57.15 1a9u n ARG 94 Cb 0.35 -1.72 -0.08 0.00 -1.02 0.00 0.00 32.46 29.99 1a9u n ARG 94 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1a9u s SER 95 N -4.65 0.18 0.58 0.55 1.04 -1.26 -5.02 113.70 105.11 1a9u s SER 95 Ca 0.02 -0.89 0.32 0.00 0.48 0.00 0.00 55.95 55.88 1a9u s SER 95 Cb 0.12 0.34 1.76 0.00 0.10 0.00 0.00 66.02 68.34 1a9u s SER 95 CO 0.78 -0.77 2.19 0.25 0.98 0.00 0.00 173.24 176.66 1a9u h LEU 96 N 2.76 0.00 -0.09 2.42 5.85 -1.95 -1.21 115.31 123.09 1a9u h LEU 96 Ca -0.33 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.38 1a9u h LEU 96 Cb 1.20 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 1a9u h LEU 96 CO 0.55 0.05 0.04 -0.33 -0.34 0.00 0.00 178.44 178.42 1a9u h GLU 97 N 0.00 0.13 -0.08 1.25 3.07 -2.00 -2.94 114.58 114.00 1a9u h GLU 97 Ca -0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1a9u h GLU 97 Cb 0.17 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 1a9u h GLU 97 CO 0.01 0.20 0.00 -0.85 -1.40 0.00 0.00 179.01 176.97 1a9u n GLU 98 N -4.96 1.92 -1.81 2.33 0.28 -0.96 -4.90 120.64 112.55 1a9u n GLU 98 Ca -0.06 -1.36 -0.43 0.00 -0.16 0.00 0.00 57.16 55.16 1a9u n GLU 98 Cb 0.09 -1.46 -0.03 0.00 1.43 0.00 0.00 31.44 31.47 1a9u n GLU 98 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 1a9u s PHE 99 N -1.92 1.51 0.00 -1.84 5.36 -0.50 -4.68 117.98 115.91 1a9u s PHE 99 Ca 0.34 0.50 0.00 0.00 -0.96 0.00 0.00 56.93 56.81 1a9u s PHE 99 Cb 0.20 -4.03 0.00 0.00 -0.34 0.00 0.00 43.02 38.85 1a9u s PHE 99 CO 0.31 -3.66 0.00 -1.71 -1.46 0.00 0.00 175.22 168.71 1a9u n ASN 100 N 10.54 0.07 -4.55 6.13 2.85 -1.26 -5.02 115.26 124.02 1a9u n ASN 100 Ca 0.25 0.00 -0.34 0.00 -0.11 0.00 0.00 54.58 54.39 1a9u n ASN 100 Cb 0.45 0.01 -0.12 0.00 1.24 0.00 0.00 39.78 41.37 1a9u n ASN 100 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 1a9u s ASP 101 N -0.38 4.80 -0.09 1.20 1.01 -1.26 -4.57 116.67 117.38 1a9u s ASP 101 Ca 0.00 -0.06 0.03 0.00 0.71 0.00 0.00 52.55 53.23 1a9u s ASP 101 Cb 0.00 -1.56 0.00 0.00 1.01 0.00 0.00 42.92 42.38 1a9u s ASP 101 CO 0.00 0.26 -0.21 -0.69 0.21 0.00 0.00 175.17 174.74 1a9u s VAL 102 N -0.16 1.82 -0.05 -1.27 1.01 -1.26 -4.45 120.40 116.05 1a9u s VAL 102 Ca 0.03 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.19 1a9u s VAL 102 Cb -0.13 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 1a9u s VAL 102 CO 0.02 0.51 -0.22 -0.31 0.00 0.00 0.00 175.10 175.10 1a9u s TYR 103 N 0.47 2.49 -0.05 5.22 1.51 -0.75 -1.53 117.35 124.70 1a9u s TYR 103 Ca -0.17 -0.49 0.06 0.00 -1.01 0.00 0.00 57.07 55.46 1a9u s TYR 103 Cb -0.17 -1.59 -0.02 0.00 -0.11 0.00 0.00 41.96 40.07 1a9u s TYR 103 CO 0.07 -0.06 -0.23 -0.51 -1.11 0.00 0.00 175.55 173.71 1a9u s LEU 104 N -0.41 2.22 -0.12 -1.29 1.43 0.28 -2.53 118.68 118.26 1a9u s LEU 104 Ca 0.04 -0.44 0.02 0.00 -1.03 0.00 0.00 54.13 52.73 1a9u s LEU 104 Cb -0.12 -1.41 0.01 0.00 0.03 0.00 0.00 46.19 44.70 1a9u s LEU 104 CO 0.01 0.28 -0.18 -0.69 0.23 0.00 0.00 176.35 176.00 1a9u s VAL 105 N -0.34 1.74 0.19 -1.59 1.01 -0.41 -0.09 120.40 120.91 1a9u s VAL 105 Ca 0.02 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 1a9u s VAL 105 Cb -0.12 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 1a9u s VAL 105 CO 0.02 0.49 0.21 0.28 0.00 0.00 0.00 175.10 176.10 1a9u s THR 106 N 0.82 0.02 0.29 3.92 -1.32 -0.54 -0.85 115.64 117.98 1a9u s THR 106 Ca -0.09 -1.78 -0.30 0.00 -1.21 0.00 0.00 61.69 58.31 1a9u s THR 106 Cb -0.16 -2.28 -0.12 0.00 -1.51 0.00 0.00 72.50 68.43 1a9u s THR 106 CO -0.00 -0.11 1.51 1.41 -2.21 0.00 0.00 174.62 175.22 1a9u n HIS 107 N -0.26 2.61 -2.13 9.09 8.25 -1.26 0.16 115.22 131.68 1a9u n HIS 107 Ca -0.01 0.34 -0.43 0.00 -0.26 0.00 0.00 57.72 57.36 1a9u n HIS 107 Cb 0.64 -2.54 -0.03 0.00 1.12 0.00 0.00 29.99 29.19 1a9u n HIS 107 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1a9u s LEU 108 N -0.44 3.95 -0.14 2.41 2.96 -0.41 -4.45 118.68 122.56 1a9u s LEU 108 Ca 0.64 1.66 -0.22 0.00 -0.22 0.00 0.00 54.13 55.99 1a9u s LEU 108 Cb -0.55 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 42.58 1a9u s LEU 108 CO 0.51 -1.20 0.65 -0.04 -1.32 0.00 0.00 176.35 174.95 1a9u s MET 109 N 4.54 4.31 0.00 1.98 -1.94 -1.26 -4.94 119.30 121.99 1a9u s MET 109 Ca 0.70 0.71 0.00 0.00 -1.71 0.00 0.00 55.69 55.39 1a9u s MET 109 Cb -0.25 -3.51 0.00 0.00 2.01 0.00 0.00 34.83 33.08 1a9u s MET 109 CO 0.28 -0.08 0.00 0.41 -0.01 0.00 0.00 175.02 175.62 1a9u n GLY 110 N 3.45 0.87 3.91 -0.03 0.00 -1.26 -4.99 105.19 107.14 1a9u n GLY 110 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1a9u n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9u s ALA 111 N -4.34 3.97 0.51 4.61 0.00 -1.26 -5.02 121.76 120.23 1a9u s ALA 111 Ca 0.00 -0.78 0.08 0.00 0.00 0.00 0.00 51.96 51.27 1a9u s ALA 111 Cb 0.00 -1.88 0.05 0.00 0.00 0.00 0.00 23.12 21.29 1a9u s ALA 111 CO 0.00 0.77 0.63 0.16 0.00 0.00 0.00 175.76 177.32 1a9u s ASP 112 N -2.15 5.18 0.47 0.00 1.47 -1.26 -0.75 116.67 119.64 1a9u s ASP 112 Ca 0.30 -0.77 0.22 0.00 1.18 0.00 0.00 52.55 53.48 1a9u s ASP 112 Cb -0.13 -0.05 1.18 0.00 -0.34 0.00 0.00 42.92 43.59 1a9u s ASP 112 CO 0.22 -1.07 1.98 0.25 0.68 0.00 0.00 175.17 177.23 1a9u h LEU 113 N 0.48 0.00 0.00 2.11 5.85 0.68 -2.53 115.31 121.90 1a9u h LEU 113 Ca -0.35 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1a9u h LEU 113 Cb 1.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.32 1a9u h LEU 113 CO 0.46 0.19 0.00 -3.20 -0.34 0.00 0.00 178.44 175.55 1a9u n ASN 114 N -3.78 0.00 -0.07 1.25 5.15 -1.18 -2.04 115.26 114.59 1a9u n ASN 114 Ca -0.02 -0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.83 1a9u n ASN 114 Cb 0.30 -0.20 -0.04 0.00 -0.53 0.00 0.00 39.78 39.30 1a9u n ASN 114 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1a9u n ASN 115 N -1.20 1.61 -0.23 1.20 5.03 -0.95 -3.58 115.26 117.13 1a9u n ASN 115 Ca 0.06 0.27 0.02 0.00 0.87 0.00 0.00 54.58 55.80 1a9u n ASN 115 Cb 0.07 -0.62 0.11 0.00 -1.02 0.00 0.00 39.78 38.32 1a9u n ASN 115 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1a9u h ILE 116 N -0.74 0.40 0.11 2.41 5.03 -1.57 -3.13 117.51 120.03 1a9u h ILE 116 Ca -0.21 -0.02 -0.24 0.00 -0.12 0.00 0.00 64.86 64.26 1a9u h ILE 116 Cb 1.02 0.32 0.00 0.00 -3.03 0.00 0.00 36.82 35.13 1a9u h ILE 116 CO -0.13 0.01 -1.21 0.58 -0.68 0.00 0.00 178.15 176.72 1a9u h VAL 117 N 0.07 1.17 -0.30 1.67 2.07 -1.66 -3.33 116.25 115.93 1a9u h VAL 117 Ca 0.35 -2.43 0.09 0.00 0.82 0.00 0.00 66.70 65.53 1a9u h VAL 117 Cb 0.57 2.84 -0.01 0.00 -1.52 0.00 0.00 31.29 33.17 1a9u h VAL 117 CO -0.62 0.69 0.69 0.50 0.02 0.00 0.00 177.57 178.85 1a9u h LYS 118 N -0.37 0.00 -0.89 1.57 3.64 -1.60 0.38 116.57 119.30 1a9u h LYS 118 Ca -0.26 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 58.87 1a9u h LYS 118 Cb 1.69 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 33.36 1a9u h LYS 118 CO 0.07 0.00 0.32 0.00 -2.27 0.00 0.00 179.45 177.57 1a9u n GLN 120 N -0.30 -1.89 -4.35 0.00 1.13 0.13 -5.10 117.38 107.00 1a9u n GLN 120 Ca 0.36 0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 55.08 1a9u n GLN 120 Cb 1.23 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 31.44 1a9u n GLN 120 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1a9u s LYS 121 N -1.78 3.43 0.72 -1.09 2.20 -1.26 -4.59 119.74 117.36 1a9u s LYS 121 Ca 0.00 -0.63 -0.05 0.00 -0.36 0.00 0.00 55.97 54.93 1a9u s LYS 121 Cb 0.00 -2.84 0.09 0.00 -1.51 0.00 0.00 37.83 33.57 1a9u s LYS 121 CO 0.00 0.05 1.01 -0.51 -0.36 0.00 0.00 175.35 175.54 1a9u s LEU 122 N 0.82 2.91 0.35 5.43 1.43 -0.94 -5.00 118.68 123.67 1a9u s LEU 122 Ca -0.03 0.17 -0.17 0.00 -1.03 0.00 0.00 54.13 53.07 1a9u s LEU 122 Cb -0.15 -2.71 -0.09 0.00 0.03 0.00 0.00 46.19 43.27 1a9u s LEU 122 CO 0.01 -1.73 0.79 0.42 0.23 0.00 0.00 176.35 176.08 1a9u s THR 123 N -3.22 4.60 0.26 5.49 -4.23 -1.26 -4.83 115.64 112.45 1a9u s THR 123 Ca 0.63 1.11 -0.01 0.00 -1.18 0.00 0.00 61.69 62.23 1a9u s THR 123 Cb -0.09 -3.62 0.25 0.00 1.34 0.00 0.00 72.50 70.38 1a9u s THR 123 CO 0.45 -0.20 1.71 -0.78 -0.54 0.00 0.00 174.62 175.25 1a9u h ASP 124 N 2.22 0.24 0.20 3.99 3.58 -1.98 0.64 116.42 125.32 1a9u h ASP 124 Ca -0.48 0.13 -0.03 0.00 0.42 0.00 0.00 57.03 57.07 1a9u h ASP 124 Cb 1.18 0.13 -0.00 0.00 1.72 0.00 0.00 39.33 42.35 1a9u h ASP 124 CO 0.64 0.04 -0.15 0.44 -2.88 0.00 0.00 179.24 177.33 1a9u h ASP 125 N 0.40 0.00 -0.08 2.28 3.32 -1.99 0.25 116.42 120.60 1a9u h ASP 125 Ca 0.47 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.41 1a9u h ASP 125 Cb 0.81 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.36 1a9u h ASP 125 CO -0.48 0.15 -0.41 0.45 -1.72 0.00 0.00 179.24 177.24 1a9u h HIS 126 N 0.00 0.56 -0.44 4.55 3.86 -1.28 -2.53 115.15 119.86 1a9u h HIS 126 Ca -0.00 -0.25 -0.01 0.00 -1.16 0.00 0.00 60.37 58.95 1a9u h HIS 126 Cb 0.29 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 1a9u h HIS 126 CO 0.00 1.01 0.24 0.28 0.86 0.00 0.00 177.93 180.31 1a9u h VAL 127 N -0.05 1.16 -0.22 2.45 2.07 -0.66 0.65 116.25 121.64 1a9u h VAL 127 Ca -0.03 -0.42 0.06 0.00 0.82 0.00 0.00 66.70 67.13 1a9u h VAL 127 Cb 1.06 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 31.40 1a9u h VAL 127 CO 0.08 0.17 -0.26 1.56 0.02 0.00 0.00 177.57 179.15 1a9u h GLN 128 N 0.57 -0.27 0.04 1.57 4.20 -0.56 -0.75 115.11 119.91 1a9u h GLN 128 Ca 0.15 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 1a9u h GLN 128 Cb 0.06 0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1a9u h GLN 128 CO -0.02 -0.18 -0.02 0.35 -0.67 0.00 0.00 178.83 178.29 1a9u h PHE 129 N -0.28 -0.05 -0.15 2.96 3.57 -1.05 -0.57 116.94 121.37 1a9u h PHE 129 Ca 0.13 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1a9u h PHE 129 Cb 0.48 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1a9u h PHE 129 CO -0.40 0.12 0.05 -0.07 -2.23 0.00 0.00 178.31 175.78 1a9u h LEU 130 N -0.21 0.22 -0.93 0.59 3.38 -0.76 -2.23 115.31 115.37 1a9u h LEU 130 Ca -0.01 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 1a9u h LEU 130 Cb 0.19 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1a9u h LEU 130 CO 0.01 0.37 0.04 0.40 0.09 0.00 0.00 178.44 179.34 1a9u h ILE 131 N 0.07 1.24 -0.26 1.22 1.08 -1.20 -2.35 117.51 117.30 1a9u h ILE 131 Ca 0.05 -0.96 0.06 0.00 -0.39 0.00 0.00 64.86 63.62 1a9u h ILE 131 Cb 0.23 0.81 -0.06 0.00 -3.07 0.00 0.00 36.82 34.74 1a9u h ILE 131 CO -0.00 0.34 -0.10 0.22 -0.69 0.00 0.00 178.15 177.92 1a9u h TYR 132 N 0.77 -0.23 -0.63 1.37 3.20 -0.85 -0.85 116.97 119.75 1a9u h TYR 132 Ca 0.16 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 1a9u h TYR 132 Cb 0.41 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 1a9u h TYR 132 CO 0.02 -0.16 0.21 1.96 -1.64 0.00 0.00 178.16 178.55 1a9u h GLN 133 N -0.05 0.96 -0.50 1.82 4.20 -1.22 -0.30 115.11 120.01 1a9u h GLN 133 Ca 0.13 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1a9u h GLN 133 Cb 0.26 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1a9u h GLN 133 CO -0.30 0.81 0.25 0.82 -0.67 0.00 0.00 178.83 179.74 1a9u h ILE 134 N 0.93 1.19 -0.30 2.54 2.04 -0.87 -1.10 117.51 121.94 1a9u h ILE 134 Ca 0.21 -0.54 -0.11 0.00 1.00 0.00 0.00 64.86 65.42 1a9u h ILE 134 Cb 0.25 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1a9u h ILE 134 CO -0.01 0.21 -0.29 -0.07 0.00 0.00 0.00 178.15 177.99 1a9u h LEU 135 N 0.67 0.63 -0.16 1.44 3.38 -0.80 -0.47 115.31 120.01 1a9u h LEU 135 Ca 0.17 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1a9u h LEU 135 Cb 0.11 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1a9u h LEU 135 CO -0.02 0.89 0.03 -0.09 0.09 0.00 0.00 178.44 179.34 1a9u h ARG 136 N 0.53 0.26 -0.34 1.13 2.43 -0.86 0.08 114.38 117.60 1a9u h ARG 136 Ca 0.07 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 1a9u h ARG 136 Cb 0.77 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 1a9u h ARG 136 CO 0.06 0.42 -0.12 0.78 -1.51 0.00 0.00 179.97 179.59 1a9u h GLY 137 N 0.06 0.64 1.96 2.80 0.00 -1.13 -2.67 103.07 104.73 1a9u h GLY 137 Ca 0.05 -0.46 -0.11 0.00 0.00 0.00 0.00 47.33 46.81 1a9u h GLY 137 CO 0.00 0.42 -0.51 -2.00 0.00 0.00 0.00 176.54 174.46 1a9u h LEU 138 N 0.54 0.04 -0.35 3.11 5.85 -0.87 -1.46 115.31 122.16 1a9u h LEU 138 Ca 0.10 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 1a9u h LEU 138 Cb 0.53 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1a9u h LEU 138 CO 0.03 0.54 -0.10 0.50 -0.34 0.00 0.00 178.44 179.08 1a9u h LYS 139 N 0.03 0.69 0.42 1.25 3.64 -0.73 -0.01 116.57 121.86 1a9u h LYS 139 Ca -0.00 -0.27 -0.02 0.00 -1.27 0.00 0.00 60.65 59.09 1a9u h LYS 139 Cb 0.91 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1a9u h LYS 139 CO 0.07 0.85 -0.20 -0.92 -2.27 0.00 0.00 179.45 176.98 1a9u h TYR 140 N 0.48 -0.52 -0.11 1.91 3.20 -1.24 0.28 116.97 120.96 1a9u h TYR 140 Ca 0.09 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.98 1a9u h TYR 140 Cb 0.61 0.17 -0.04 0.00 1.54 0.00 0.00 36.73 39.01 1a9u h TYR 140 CO 0.05 -0.30 -0.10 0.82 -1.64 0.00 0.00 178.16 176.99 1a9u h ILE 141 N -0.60 0.71 -0.81 1.81 2.04 -1.22 -2.46 117.51 116.97 1a9u h ILE 141 Ca -0.06 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.76 1a9u h ILE 141 Cb 0.45 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 1a9u h ILE 141 CO 0.09 0.00 0.35 0.45 0.00 0.00 0.00 178.15 179.05 1a9u h HIS 142 N -0.12 1.20 0.00 1.37 3.86 -0.97 -1.42 115.15 119.07 1a9u h HIS 142 Ca 0.08 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1a9u h HIS 142 Cb 0.24 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.34 1a9u h HIS 142 CO -0.22 0.89 0.02 0.66 0.86 0.00 0.00 177.93 180.14 1a9u h SER 143 N 1.17 0.00 -0.68 2.45 4.64 -0.46 0.31 113.55 120.98 1a9u h SER 143 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1a9u h SER 143 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1a9u h SER 143 CO -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.93 1a9u n ALA 144 N -1.95 2.61 -2.00 5.18 0.00 -0.59 -4.70 120.51 119.06 1a9u n ALA 144 Ca -0.02 -1.33 -0.11 0.00 0.00 0.00 0.00 53.44 51.97 1a9u n ALA 144 Cb 0.07 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.54 1a9u n ALA 144 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1a9u n ASP 145 N 1.42 -3.87 -4.61 0.00 9.92 0.11 -4.15 116.55 115.37 1a9u n ASP 145 Ca 0.24 0.06 -0.34 0.00 -0.53 0.00 0.00 54.79 54.22 1a9u n ASP 145 Cb 0.68 -2.92 -0.11 0.00 -0.64 0.00 0.00 41.12 38.13 1a9u n ASP 145 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1a9u s ILE 146 N -2.54 4.12 -0.19 0.53 1.01 -0.85 -5.01 121.20 118.28 1a9u s ILE 146 Ca 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 60.65 60.32 1a9u s ILE 146 Cb 0.00 -2.75 -0.01 0.00 0.01 0.00 0.00 42.46 39.71 1a9u s ILE 146 CO 0.00 0.56 -0.08 -0.63 0.00 0.00 0.00 174.94 174.79 1a9u s ILE 147 N -0.44 3.23 0.05 2.92 1.01 -1.26 -3.49 121.20 123.22 1a9u s ILE 147 Ca 0.08 -0.56 -0.26 0.00 0.00 0.00 0.00 60.65 59.91 1a9u s ILE 147 Cb -0.12 -2.43 -0.17 0.00 0.01 0.00 0.00 42.46 39.75 1a9u s ILE 147 CO 0.02 0.47 1.55 -0.74 0.00 0.00 0.00 174.94 176.24 1a9u h HIS 148 N 7.57 -0.23 0.00 3.97 -0.00 -1.96 -3.39 115.15 121.11 1a9u h HIS 148 Ca -0.36 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.00 1a9u h HIS 148 Cb 1.18 0.07 0.00 0.00 -0.00 0.00 0.00 27.41 28.66 1a9u h HIS 148 CO 0.55 -0.03 0.00 0.54 -0.00 0.00 0.00 177.93 178.99 1a9u n ARG 149 N -5.13 0.00 -2.69 5.26 1.74 -1.26 -1.61 116.66 112.97 1a9u n ARG 149 Ca -0.09 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.91 1a9u n ARG 149 Cb 0.17 -1.66 0.04 0.00 -1.02 0.00 0.00 32.46 29.99 1a9u n ARG 149 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1a9u n ASP 150 N 0.00 1.36 -4.69 0.55 2.03 -1.26 -4.93 116.55 109.60 1a9u n ASP 150 Ca 0.00 -2.60 -0.42 0.00 0.52 0.00 0.00 54.79 52.28 1a9u n ASP 150 Cb 0.00 -0.48 -0.03 0.00 -0.72 0.00 0.00 41.12 39.90 1a9u n ASP 150 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1a9u s LEU 151 N -3.22 4.28 0.16 -2.67 1.43 -1.26 -4.84 118.68 112.56 1a9u s LEU 151 Ca 0.27 1.77 -0.23 0.00 -1.03 0.00 0.00 54.13 54.91 1a9u s LEU 151 Cb 0.44 -3.56 0.07 0.00 0.03 0.00 0.00 46.19 43.17 1a9u s LEU 151 CO 0.02 -0.55 0.60 -1.59 0.23 0.00 0.00 176.35 175.07 1a9u s LYS 152 N 2.10 1.30 0.31 1.70 -2.85 -1.26 -4.82 119.74 116.20 1a9u s LYS 152 Ca 0.55 -0.50 0.06 0.00 -1.00 0.00 0.00 55.97 55.08 1a9u s LYS 152 Cb -0.24 0.59 0.83 0.00 -2.06 0.00 0.00 37.83 36.95 1a9u s LYS 152 CO 0.22 -0.57 1.67 -1.35 0.10 0.00 0.00 175.35 175.42 1a9u h PRO 153 N 2.01 0.31 0.00 1.78 0.11 -1.95 0.14 132.00 134.41 1a9u h PRO 153 Ca -0.33 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1a9u h PRO 153 Cb 1.31 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1a9u h PRO 153 CO 0.38 0.21 0.00 -1.13 -0.21 0.00 0.00 178.00 177.24 1a9u n SER 154 N -5.10 0.10 -1.38 -2.05 3.41 -1.26 -1.85 113.62 105.48 1a9u n SER 154 Ca 0.25 0.53 0.01 0.00 -0.26 0.00 0.00 58.87 59.39 1a9u n SER 154 Cb 0.76 -0.55 0.27 0.00 -0.26 0.00 0.00 64.21 64.43 1a9u n SER 154 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1a9u n ASN 155 N -1.61 4.02 -3.77 4.04 5.03 0.49 -4.84 115.26 118.62 1a9u n ASN 155 Ca 0.03 -3.24 -0.29 0.00 0.87 0.00 0.00 54.58 51.94 1a9u n ASN 155 Cb 0.15 -0.64 -0.15 0.00 -1.02 0.00 0.00 39.78 38.11 1a9u n ASN 155 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1a9u s LEU 156 N -2.98 2.11 0.11 3.41 1.43 -0.77 -1.31 118.68 120.69 1a9u s LEU 156 Ca 0.48 -1.41 -0.30 0.00 -1.03 0.00 0.00 54.13 51.87 1a9u s LEU 156 Cb 0.39 -0.86 -0.06 0.00 0.03 0.00 0.00 46.19 45.69 1a9u s LEU 156 CO 0.09 -0.37 1.08 0.00 0.23 0.00 0.00 176.35 177.38 1a9u s ALA 157 N 1.63 3.32 -0.04 4.21 0.00 -0.51 0.89 121.76 131.25 1a9u s ALA 157 Ca 0.05 0.74 0.01 0.00 0.00 0.00 0.00 51.96 52.76 1a9u s ALA 157 Cb -0.17 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.61 1a9u s ALA 157 CO -0.18 -0.23 -0.04 0.08 0.00 0.00 0.00 175.76 175.39 1a9u s VAL 158 N 0.27 0.47 0.34 0.00 1.01 0.07 -0.78 120.40 121.79 1a9u s VAL 158 Ca 0.51 -0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.41 1a9u s VAL 158 Cb -0.27 -0.50 0.07 0.00 0.00 0.00 0.00 36.38 35.68 1a9u s VAL 158 CO 0.32 0.20 0.47 -0.46 0.00 0.00 0.00 175.10 175.63 1a9u n ASN 159 N 3.97 0.74 0.26 3.32 0.23 -0.55 -4.01 115.26 119.22 1a9u n ASN 159 Ca -0.25 -1.60 0.09 0.00 -0.53 0.00 0.00 54.58 52.30 1a9u n ASN 159 Cb 0.51 -0.29 0.68 0.00 -2.08 0.00 0.00 39.78 38.60 1a9u n ASN 159 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1a9u h GLU 160 N 0.00 0.00 -0.74 -3.83 4.11 -1.98 -1.90 114.58 110.24 1a9u h GLU 160 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.27 1a9u h GLU 160 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1a9u h GLU 160 CO 0.18 0.04 0.00 -0.25 0.07 0.00 0.00 179.01 179.05 1a9u n ASP 161 N -4.29 2.99 -2.35 3.06 9.92 -1.26 -4.88 116.55 119.75 1a9u n ASP 161 Ca -0.03 -2.37 -0.19 0.00 -0.53 0.00 0.00 54.79 51.68 1a9u n ASP 161 Cb 0.13 -0.53 -0.01 0.00 -0.64 0.00 0.00 41.12 40.06 1a9u n ASP 161 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1a9u s GLU 163 N -4.95 4.27 0.11 0.00 2.02 -1.26 -4.75 118.70 114.14 1a9u s GLU 163 Ca 0.00 0.48 0.09 0.00 0.02 0.00 0.00 54.97 55.55 1a9u s GLU 163 Cb 0.00 -3.39 -0.04 0.00 0.10 0.00 0.00 34.13 30.80 1a9u s GLU 163 CO 0.00 0.27 -0.18 -1.17 0.02 0.00 0.00 175.26 174.20 1a9u s LEU 164 N 0.24 2.69 -0.02 1.80 0.20 -1.26 -1.49 118.68 120.85 1a9u s LEU 164 Ca 0.26 -0.54 0.01 0.00 0.69 0.00 0.00 54.13 54.55 1a9u s LEU 164 Cb -0.16 -1.54 0.01 0.00 -0.43 0.00 0.00 46.19 44.07 1a9u s LEU 164 CO 0.12 0.19 -0.05 -0.75 -0.29 0.00 0.00 176.35 175.57 1a9u s LYS 165 N -2.06 0.53 -0.14 1.98 2.20 0.04 -4.40 119.74 117.90 1a9u s LYS 165 Ca 0.18 -0.15 -0.23 0.00 -0.36 0.00 0.00 55.97 55.40 1a9u s LYS 165 Cb -0.11 -0.55 -0.03 0.00 -1.51 0.00 0.00 37.83 35.64 1a9u s LYS 165 CO 0.10 0.04 0.73 0.42 -0.36 0.00 0.00 175.35 176.28 1a9u s ILE 166 N 0.25 4.98 0.00 5.43 1.01 0.48 -1.43 121.20 131.92 1a9u s ILE 166 Ca -0.03 1.45 0.00 0.00 0.00 0.00 0.00 60.65 62.07 1a9u s ILE 166 Cb -0.07 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.35 1a9u s ILE 166 CO -0.00 0.13 0.00 0.18 0.00 0.00 0.00 174.94 175.25 1a9u n LEU 167 N 4.63 0.00 -0.39 2.97 4.32 -0.43 -1.28 117.00 126.82 1a9u n LEU 167 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.00 1a9u n LEU 167 Cb 0.50 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.30 1a9u n LEU 167 CO 0.47 -0.09 0.00 0.47 -1.22 0.00 0.00 177.39 177.02 1a9u n ASP 168 N -0.96 0.00 -4.75 -1.43 8.00 -1.26 -4.78 116.55 111.37 1a9u n ASP 168 Ca 0.00 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 1a9u n ASP 168 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 1a9u n ASP 168 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1a9u s PHE 169 N 0.00 3.17 0.18 1.24 0.40 -1.26 -4.91 117.98 116.80 1a9u s PHE 169 Ca 0.00 1.27 -0.09 0.00 -0.60 0.00 0.00 56.93 57.50 1a9u s PHE 169 Cb 0.00 -3.65 0.08 0.00 0.51 0.00 0.00 43.02 39.96 1a9u s PHE 169 CO 0.00 -1.95 1.66 0.78 0.70 0.00 0.00 175.22 176.41 1a9u h GLY 170 N 4.62 1.15 -7.19 4.36 0.00 -1.61 -3.41 103.07 100.99 1a9u h GLY 170 Ca -0.46 -0.80 -0.30 0.00 0.00 0.00 0.00 47.33 45.77 1a9u h GLY 170 CO 0.73 0.74 1.34 -0.10 0.00 0.00 0.00 176.54 179.25 1a9u n LEU 171 N -4.23 0.39 0.00 3.11 0.00 -1.17 -3.25 117.00 111.86 1a9u n LEU 171 Ca 0.03 -0.68 0.00 0.00 0.00 0.00 0.00 56.01 55.37 1a9u n LEU 171 Cb 0.31 -1.10 0.00 0.00 0.00 0.00 0.00 43.42 42.63 1a9u n LEU 171 CO 0.43 -1.67 0.00 0.00 0.00 0.00 0.00 177.39 176.15 1a9u n ALA 172 N 11.91 0.00 -2.55 1.96 0.00 -1.26 -4.87 120.51 125.69 1a9u n ALA 172 Ca 0.57 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.58 1a9u n ALA 172 Cb 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.69 1a9u n ALA 172 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1a9u s ARG 173 N 0.00 3.99 0.04 0.00 0.52 -1.20 -4.97 118.95 117.33 1a9u s ARG 173 Ca 0.00 1.11 -0.36 0.00 -0.52 0.00 0.00 55.73 55.96 1a9u s ARG 173 Cb 0.00 -3.80 -0.19 0.00 0.52 0.00 0.00 34.95 31.48 1a9u s ARG 173 CO 0.00 -1.02 0.92 1.58 0.02 0.00 0.00 175.30 176.80 1a9u n HIS 174 N 7.22 0.39 -2.00 -0.53 -0.00 -1.26 -4.77 115.22 114.27 1a9u n HIS 174 Ca 0.13 1.00 -0.39 0.00 -0.00 0.00 0.00 57.72 58.46 1a9u n HIS 174 Cb 0.47 -1.98 -0.03 0.00 -0.00 0.00 0.00 29.99 28.45 1a9u n HIS 174 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1a9u s THR 175 N -0.19 3.36 -0.07 3.57 2.01 -1.26 -4.89 115.64 118.17 1a9u s THR 175 Ca 0.82 0.25 -0.31 0.00 0.31 0.00 0.00 61.69 62.75 1a9u s THR 175 Cb -1.15 -3.83 0.13 0.00 0.01 0.00 0.00 72.50 67.66 1a9u s THR 175 CO 0.54 -0.76 1.38 -1.81 -0.69 0.00 0.00 174.62 173.28 1a9u s ASP 176 N 7.99 -0.02 0.00 3.53 1.01 -1.26 -5.07 116.67 122.85 1a9u s ASP 176 Ca 0.71 -0.06 0.00 0.00 0.71 0.00 0.00 52.55 53.91 1a9u s ASP 176 Cb -0.15 0.06 0.00 0.00 1.01 0.00 0.00 42.92 43.85 1a9u s ASP 176 CO 0.23 -0.12 0.00 -0.67 0.21 0.00 0.00 175.17 174.82 1a9u n ASP 177 N -0.61 0.00 -1.72 0.27 2.03 -1.26 -4.61 116.55 110.65 1a9u n ASP 177 Ca -0.06 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.31 1a9u n ASP 177 Cb 0.62 0.00 0.35 0.00 -0.72 0.00 0.00 41.12 41.38 1a9u n ASP 177 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1a9u n GLU 178 N 0.00 4.41 -0.31 -0.67 4.71 -1.26 -4.41 120.64 123.11 1a9u n GLU 178 Ca 0.00 -2.75 0.10 0.00 -0.01 0.00 0.00 57.16 54.50 1a9u n GLU 178 Cb 0.00 -2.17 0.27 0.00 -1.01 0.00 0.00 31.44 28.53 1a9u n GLU 178 CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 1a9u n MET 179 N 0.55 2.75 -3.20 3.49 2.81 -1.26 -4.74 117.12 117.52 1a9u n MET 179 Ca 0.24 -2.48 -0.39 0.00 -1.81 0.00 0.00 57.70 53.27 1a9u n MET 179 Cb 1.08 -1.48 -0.06 0.00 -0.71 0.00 0.00 33.22 32.04 1a9u n MET 179 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1a9u s THR 180 N -1.02 4.67 0.00 2.03 2.01 -1.26 -4.75 115.64 117.32 1a9u s THR 180 Ca 0.42 1.34 0.00 0.00 0.31 0.00 0.00 61.69 63.75 1a9u s THR 180 Cb 0.22 -3.96 0.00 0.00 0.01 0.00 0.00 72.50 68.77 1a9u s THR 180 CO 0.28 0.53 0.00 0.61 -0.69 0.00 0.00 174.62 175.36 1a9u n GLY 181 N 1.76 -0.84 3.58 4.40 0.00 -1.25 -4.43 105.19 108.40 1a9u n GLY 181 Ca -0.09 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 1a9u n GLY 181 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1a9u s TYR 182 N 0.00 2.72 -0.04 1.61 5.04 -1.08 -3.76 117.35 121.85 1a9u s TYR 182 Ca 0.00 -1.47 0.01 0.00 -2.44 0.00 0.00 57.07 53.17 1a9u s TYR 182 Cb 0.00 -4.71 0.02 0.00 0.35 0.00 0.00 41.96 37.62 1a9u s TYR 182 CO 0.00 -1.78 -0.03 0.14 -1.34 0.00 0.00 175.55 172.54 1a9u s VAL 183 N 4.66 0.43 0.54 3.14 -7.23 -1.26 -5.02 120.40 115.65 1a9u s VAL 183 Ca 0.55 -0.08 0.42 0.00 -1.81 0.00 0.00 61.98 61.06 1a9u s VAL 183 Cb 0.04 -0.46 0.42 0.00 0.56 0.00 0.00 36.38 36.94 1a9u s VAL 183 CO 0.08 0.19 2.28 0.00 -0.31 0.00 0.00 175.10 177.34 1a9u h ALA 184 N 7.08 1.00 0.00 1.32 0.00 -1.93 -2.19 119.26 124.54 1a9u h ALA 184 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1a9u h ALA 184 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1a9u h ALA 184 CO 0.48 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.98 1a9u n THR 185 N -3.01 1.35 0.00 0.00 -2.24 -1.26 -2.85 114.28 106.27 1a9u n THR 185 Ca -0.02 0.34 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 1a9u n THR 185 Cb 0.09 -1.23 0.00 0.00 -2.10 0.00 0.00 70.33 67.09 1a9u n THR 185 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1a9u n ARG 186 N -1.43 3.02 0.17 -0.78 0.63 -0.82 -4.77 116.66 112.67 1a9u n ARG 186 Ca 0.02 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.07 1a9u n ARG 186 Cb 0.07 -0.70 0.59 0.00 0.45 0.00 0.00 32.46 32.86 1a9u n ARG 186 CO 0.00 0.00 0.00 -1.49 -2.51 0.00 0.00 177.63 173.63 1a9u h TRP 187 N 0.00 0.00 -0.02 -0.14 6.55 -1.55 -2.58 115.95 118.20 1a9u h TRP 187 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1a9u h TRP 187 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.30 1a9u h TRP 187 CO 0.00 0.00 -0.12 0.66 -1.05 0.00 0.00 178.44 177.93 1a9u n TYR 188 N -2.35 0.00 -2.60 0.49 4.02 -1.26 -4.52 117.16 110.94 1a9u n TYR 188 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.49 1a9u n TYR 188 Cb 0.14 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.42 1a9u n TYR 188 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1a9u s ARG 189 N -1.77 4.69 0.48 -0.72 0.52 -0.98 -3.83 118.95 117.34 1a9u s ARG 189 Ca 0.20 1.63 -0.23 0.00 -0.52 0.00 0.00 55.73 56.81 1a9u s ARG 189 Cb 0.16 -3.28 -0.07 0.00 0.52 0.00 0.00 34.95 32.28 1a9u s ARG 189 CO 0.31 0.23 1.25 0.00 0.02 0.00 0.00 175.30 177.11 1a9u s ALA 190 N -0.60 2.96 0.24 2.13 0.00 -1.26 -4.82 121.76 120.40 1a9u s ALA 190 Ca 0.46 1.10 -0.05 0.00 0.00 0.00 0.00 51.96 53.47 1a9u s ALA 190 Cb -0.28 -3.46 0.38 0.00 0.00 0.00 0.00 23.12 19.77 1a9u s ALA 190 CO 0.34 -0.91 1.78 -1.00 0.00 0.00 0.00 175.76 175.97 1a9u h PRO 191 N 1.94 0.61 -0.08 0.00 0.13 -1.96 0.06 132.00 132.70 1a9u h PRO 191 Ca -0.50 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 64.54 1a9u h PRO 191 Cb 1.26 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1a9u h PRO 191 CO 0.60 0.40 -0.18 1.05 -0.23 0.00 0.00 178.00 179.63 1a9u h GLU 192 N 0.63 0.13 0.01 0.86 9.09 -1.92 0.10 114.58 123.48 1a9u h GLU 192 Ca 0.38 -0.03 -0.27 0.00 0.05 0.00 0.00 59.36 59.49 1a9u h GLU 192 Cb 0.43 -0.02 -0.04 0.00 -1.65 0.00 0.00 28.75 27.47 1a9u h GLU 192 CO -0.29 0.32 -1.49 0.97 0.05 0.00 0.00 179.01 178.58 1a9u h ILE 193 N 0.13 1.12 -0.51 -1.06 2.10 -1.75 -0.61 117.51 116.93 1a9u h ILE 193 Ca 0.02 -2.92 -0.11 0.00 1.08 0.00 0.00 64.86 62.93 1a9u h ILE 193 Cb 0.41 2.57 -0.02 0.00 -1.09 0.00 0.00 36.82 38.69 1a9u h ILE 193 CO 0.03 0.66 -0.11 -0.03 -1.08 0.00 0.00 178.15 177.62 1a9u h MET 194 N 0.00 0.97 -0.47 2.19 4.05 -0.50 -3.09 114.93 118.07 1a9u h MET 194 Ca -0.20 -0.36 0.00 0.00 -0.28 0.00 0.00 59.70 58.86 1a9u h MET 194 Cb 1.94 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.68 1a9u h MET 194 CO 0.10 1.03 0.00 1.28 0.23 0.00 0.00 176.91 179.55 1a9u n LEU 195 N -4.20 3.72 -4.08 3.39 7.99 0.31 -4.98 117.00 119.15 1a9u n LEU 195 Ca 0.01 -2.28 -0.31 0.00 -0.01 0.00 0.00 56.01 53.42 1a9u n LEU 195 Cb 0.39 -0.41 -0.02 0.00 -0.11 0.00 0.00 43.42 43.27 1a9u n LEU 195 CO 0.45 0.79 -0.09 -3.20 -1.51 0.00 0.00 177.39 173.82 1a9u n ASN 196 N 0.69 -2.28 -0.14 -1.43 4.05 -0.99 -4.87 115.26 110.29 1a9u n ASN 196 Ca 0.19 -0.98 -0.06 0.00 0.45 0.00 0.00 54.58 54.17 1a9u n ASN 196 Cb 0.65 -3.01 0.11 0.00 1.23 0.00 0.00 39.78 38.76 1a9u n ASN 196 CO 0.00 0.00 0.00 -0.50 -3.05 0.00 0.00 177.26 173.71 1a9u h TRP 197 N -1.71 0.95 -3.21 1.20 6.55 -1.39 -3.46 115.95 114.89 1a9u h TRP 197 Ca -0.61 -0.15 -0.12 0.00 0.95 0.00 0.00 58.89 58.96 1a9u h TRP 197 Cb 1.38 -0.25 -0.02 0.00 -0.86 0.00 0.00 29.16 29.41 1a9u h TRP 197 CO 0.57 0.88 0.06 0.00 -1.05 0.00 0.00 178.44 178.90 1a9u n MET 198 N -4.19 0.77 -2.70 0.49 0.00 -1.25 -1.56 117.12 108.69 1a9u n MET 198 Ca 0.02 -2.05 -0.43 0.00 0.00 0.00 0.00 57.70 55.25 1a9u n MET 198 Cb 0.33 2.25 -0.02 0.00 0.00 0.00 0.00 33.22 35.78 1a9u n MET 198 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 175.97 174.96 1a9u s HIS 199 N -3.38 3.31 0.55 3.17 3.76 -1.26 -4.80 115.29 116.65 1a9u s HIS 199 Ca 0.18 1.37 -0.16 0.00 -0.15 0.00 0.00 55.06 56.31 1a9u s HIS 199 Cb -0.03 -3.30 -0.06 0.00 1.11 0.00 0.00 32.58 30.31 1a9u s HIS 199 CO 0.13 -0.51 1.01 1.52 -0.85 0.00 0.00 174.74 176.05 1a9u s TYR 200 N 3.21 3.31 0.00 1.40 -0.85 -1.26 -5.09 117.35 118.06 1a9u s TYR 200 Ca 0.43 1.47 0.00 0.00 -0.52 0.00 0.00 57.07 58.44 1a9u s TYR 200 Cb -0.15 -2.86 0.00 0.00 0.38 0.00 0.00 41.96 39.34 1a9u s TYR 200 CO 0.08 -0.66 0.00 0.27 -1.52 0.00 0.00 175.55 173.71 1a9u n ASN 201 N -1.88 1.34 0.26 -0.18 2.04 -1.26 -5.02 115.26 110.57 1a9u n ASN 201 Ca 0.07 -0.57 0.17 0.00 -0.44 0.00 0.00 54.58 53.82 1a9u n ASN 201 Cb 0.54 0.00 0.70 0.00 -2.53 0.00 0.00 39.78 38.49 1a9u n ASN 201 CO 0.00 0.00 0.00 1.56 -0.44 0.00 0.00 177.26 178.38 1a9u h GLN 202 N 0.00 0.00 0.00 -3.83 4.20 -1.98 -2.93 115.11 110.57 1a9u h GLN 202 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1a9u h GLN 202 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1a9u h GLN 202 CO 0.00 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 178.41 1a9u n THR 203 N -2.97 0.27 0.18 -0.54 -2.24 -1.26 -1.66 114.28 106.05 1a9u n THR 203 Ca 0.01 0.07 0.03 0.00 -2.27 0.00 0.00 64.05 61.88 1a9u n THR 203 Cb 0.28 -0.81 0.32 0.00 -2.10 0.00 0.00 70.33 68.02 1a9u n THR 203 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1a9u h VAL 204 N 0.00 1.20 -0.10 2.28 -1.51 -1.90 -1.93 116.25 114.28 1a9u h VAL 204 Ca 0.00 -1.55 -0.16 0.00 -1.23 0.00 0.00 66.70 63.76 1a9u h VAL 204 Cb 0.07 1.86 -0.01 0.00 -2.13 0.00 0.00 31.29 31.09 1a9u h VAL 204 CO 0.00 0.43 -0.63 0.44 -1.23 0.00 0.00 177.57 176.58 1a9u h ASP 205 N 0.00 0.42 -0.58 4.19 3.32 -1.57 -2.80 116.42 119.40 1a9u h ASP 205 Ca -0.00 -0.25 -0.09 0.00 0.02 0.00 0.00 57.03 56.71 1a9u h ASP 205 Cb 0.83 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 1a9u h ASP 205 CO 0.06 0.94 0.02 0.40 -1.72 0.00 0.00 179.24 178.94 1a9u h ILE 206 N 0.27 1.26 -0.91 0.35 1.08 -1.53 -1.27 117.51 116.76 1a9u h ILE 206 Ca -0.01 -1.11 0.00 0.00 -0.39 0.00 0.00 64.86 63.35 1a9u h ILE 206 Cb 1.17 0.78 -0.04 0.00 -3.07 0.00 0.00 36.82 35.65 1a9u h ILE 206 CO 0.11 0.40 0.58 -0.25 -0.69 0.00 0.00 178.15 178.30 1a9u h TRP 207 N 0.95 1.18 -0.49 1.37 2.91 -1.21 -2.03 115.95 118.63 1a9u h TRP 207 Ca 0.17 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.20 1a9u h TRP 207 Cb 0.52 -0.39 -0.02 0.00 -0.51 0.00 0.00 29.16 28.75 1a9u h TRP 207 CO 0.04 0.76 0.28 0.77 -1.03 0.00 0.00 178.44 179.26 1a9u h SER 208 N 1.25 0.61 -0.90 2.65 0.02 -1.15 -2.29 113.55 113.74 1a9u h SER 208 Ca 0.33 -0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.23 1a9u h SER 208 Cb -0.10 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.24 1a9u h SER 208 CO -0.07 0.51 0.59 0.58 -1.14 0.00 0.00 176.83 177.30 1a9u h VAL 209 N 0.65 1.19 -0.61 2.27 2.07 -0.72 -0.91 116.25 120.19 1a9u h VAL 209 Ca 0.17 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1a9u h VAL 209 Cb 0.03 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 29.69 1a9u h VAL 209 CO -0.03 0.21 0.32 1.23 0.02 0.00 0.00 177.57 179.32 1a9u h GLY 210 N 1.16 0.91 0.94 2.17 0.00 -0.86 0.33 103.07 107.74 1a9u h GLY 210 Ca 0.34 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 1a9u h GLY 210 CO -0.09 0.41 0.16 0.00 0.00 0.00 0.00 176.54 177.02 1a9u h ILE 212 N 0.50 0.74 -0.39 0.00 2.04 -0.83 -1.85 117.51 117.72 1a9u h ILE 212 Ca 0.13 -0.20 0.07 0.00 1.00 0.00 0.00 64.86 65.87 1a9u h ILE 212 Cb 0.19 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 37.06 1a9u h ILE 212 CO -0.01 0.04 -0.00 -0.03 0.00 0.00 0.00 178.15 178.15 1a9u h MET 213 N -0.49 0.10 -0.23 2.37 4.05 -0.22 -0.56 114.93 119.95 1a9u h MET 213 Ca -0.04 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.35 1a9u h MET 213 Cb 0.37 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.13 1a9u h MET 213 CO 0.07 0.06 0.03 0.00 0.23 0.00 0.00 176.91 177.30 1a9u h ALA 214 N 1.35 1.64 0.00 0.39 0.00 -0.76 -1.46 119.26 120.42 1a9u h ALA 214 Ca 0.19 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1a9u h ALA 214 Cb 0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1a9u h ALA 214 CO -0.33 0.27 -0.23 1.49 0.00 0.00 0.00 179.25 180.46 1a9u h GLU 215 N 0.32 0.00 0.00 0.00 4.81 -0.35 -1.91 114.58 117.45 1a9u h GLU 215 Ca 0.08 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.13 1a9u h GLU 215 Cb 0.17 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1a9u h GLU 215 CO -0.00 0.23 -0.83 -0.07 -0.73 0.00 0.00 179.01 177.61 1a9u h LEU 216 N 0.00 0.00 0.09 1.64 3.38 -0.10 -0.34 115.31 119.98 1a9u h LEU 216 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1a9u h LEU 216 Cb 0.98 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.74 1a9u h LEU 216 CO 0.03 0.83 -0.60 -0.07 0.09 0.00 0.00 178.44 178.73 1a9u h LEU 217 N 0.00 0.29 0.00 1.67 3.38 -1.28 -2.50 115.31 116.87 1a9u h LEU 217 Ca -0.01 -0.95 -0.14 0.00 0.09 0.00 0.00 57.88 56.87 1a9u h LEU 217 Cb 1.48 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.11 1a9u h LEU 217 CO 0.11 1.28 -1.30 0.71 0.09 0.00 0.00 178.44 179.32 1a9u h THR 218 N -0.60 0.43 0.00 0.22 1.35 -1.46 -3.42 112.91 109.43 1a9u h THR 218 Ca -0.11 -1.84 0.00 0.00 -0.55 0.00 0.00 66.41 63.91 1a9u h THR 218 Cb 1.42 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 69.81 1a9u h THR 218 CO 0.08 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 176.21 1a9u n GLY 219 N 1.35 0.63 3.28 5.82 0.00 -0.14 -4.82 105.19 111.31 1a9u n GLY 219 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 1a9u n GLY 219 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a9u s ARG 220 N -0.13 1.13 0.13 1.61 1.81 -1.24 -4.87 118.95 117.39 1a9u s ARG 220 Ca 0.00 -1.23 -0.31 0.00 -1.72 0.00 0.00 55.73 52.47 1a9u s ARG 220 Cb 0.00 -1.26 -0.08 0.00 -0.45 0.00 0.00 34.95 33.15 1a9u s ARG 220 CO 0.00 0.28 1.44 0.99 -0.68 0.00 0.00 175.30 177.32 1a9u s THR 221 N -1.56 3.13 0.04 0.02 2.01 -1.26 -4.09 115.64 113.93 1a9u s THR 221 Ca 0.09 0.81 -0.27 0.00 0.31 0.00 0.00 61.69 62.62 1a9u s THR 221 Cb -0.08 -3.52 -0.17 0.00 0.01 0.00 0.00 72.50 68.74 1a9u s THR 221 CO 0.05 0.06 1.45 0.25 -0.69 0.00 0.00 174.62 175.74 1a9u h LEU 222 N 6.82 -0.45 -6.41 4.42 5.85 -1.91 -3.37 115.31 120.27 1a9u h LEU 222 Ca -0.42 -0.08 -0.60 0.00 0.84 0.00 0.00 57.88 57.62 1a9u h LEU 222 Cb 1.21 0.12 -0.42 0.00 0.37 0.00 0.00 40.66 41.94 1a9u h LEU 222 CO 0.88 -0.19 -0.62 0.49 -0.34 0.00 0.00 178.44 178.66 1a9u n PHE 223 N -5.25 3.26 -1.37 1.25 3.72 -1.26 -4.98 117.46 112.83 1a9u n PHE 223 Ca -0.11 -4.15 -0.38 0.00 -0.05 0.00 0.00 57.45 52.76 1a9u n PHE 223 Cb 0.26 -0.55 -0.02 0.00 -0.94 0.00 0.00 39.48 38.23 1a9u n PHE 223 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1a9u n PRO 224 N 1.19 3.10 -2.05 -1.08 -0.04 -1.26 -4.67 135.00 130.19 1a9u n PRO 224 Ca 0.27 -2.22 -0.38 0.00 -0.04 0.00 0.00 63.50 61.14 1a9u n PRO 224 Cb 0.40 -2.92 0.01 0.00 -0.04 0.00 0.00 33.50 30.95 1a9u n PRO 224 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1a9u s GLY 225 N 2.83 2.82 0.00 0.55 0.00 -1.26 -4.89 107.32 107.36 1a9u s GLY 225 Ca 0.58 1.11 0.28 0.00 0.00 0.00 0.00 44.72 46.69 1a9u s GLY 225 CO -0.05 1.59 1.83 -1.30 0.00 0.00 0.00 173.10 175.17 1a9u n THR 226 N -0.74 0.00 -3.59 0.90 -2.24 -1.26 -4.30 114.28 103.05 1a9u n THR 226 Ca 0.09 -0.04 0.01 0.00 -2.27 0.00 0.00 64.05 61.84 1a9u n THR 226 Cb 0.47 -0.15 -0.01 0.00 -2.10 0.00 0.00 70.33 68.54 1a9u n THR 226 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1a9u s ASP 227 N -2.63 -0.03 0.24 3.42 1.47 -1.25 -2.63 116.67 115.26 1a9u s ASP 227 Ca 0.24 -0.04 -0.16 0.00 1.18 0.00 0.00 52.55 53.78 1a9u s ASP 227 Cb 0.20 0.06 0.28 0.00 -0.34 0.00 0.00 42.92 43.11 1a9u s ASP 227 CO 0.51 -0.11 1.56 0.45 0.68 0.00 0.00 175.17 178.26 1a9u h HIS 228 N 2.00 -0.93 -0.17 2.11 3.86 -1.86 0.24 115.15 120.39 1a9u h HIS 228 Ca -0.24 0.10 -0.07 0.00 -1.16 0.00 0.00 60.37 59.00 1a9u h HIS 228 Cb 1.18 0.55 -0.00 0.00 1.06 0.00 0.00 27.41 30.19 1a9u h HIS 228 CO 0.30 -0.40 -0.15 0.82 0.86 0.00 0.00 177.93 179.35 1a9u h ILE 229 N -0.02 1.33 -0.77 2.45 1.08 -1.98 -0.25 117.51 119.36 1a9u h ILE 229 Ca 0.36 -1.29 0.01 0.00 -0.39 0.00 0.00 64.86 63.55 1a9u h ILE 229 Cb 0.62 1.79 -0.04 0.00 -3.07 0.00 0.00 36.82 36.12 1a9u h ILE 229 CO -0.96 0.39 0.51 -0.78 -0.69 0.00 0.00 178.15 176.62 1a9u h ASP 230 N 0.07 0.87 -0.21 1.72 3.58 -1.69 -0.57 116.42 120.19 1a9u h ASP 230 Ca 0.03 -0.02 -0.11 0.00 0.42 0.00 0.00 57.03 57.35 1a9u h ASP 230 Cb 0.68 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.52 1a9u h ASP 230 CO 0.04 0.62 -0.29 -0.61 -2.88 0.00 0.00 179.24 176.12 1a9u h GLN 231 N 1.02 0.56 -0.80 0.28 4.15 -0.44 -2.20 115.11 117.68 1a9u h GLN 231 Ca 0.29 -0.33 0.11 0.00 0.77 0.00 0.00 58.65 59.49 1a9u h GLN 231 Cb -0.08 0.03 -0.08 0.00 0.21 0.00 0.00 27.48 27.56 1a9u h GLN 231 CO -0.07 0.93 0.43 1.25 -1.93 0.00 0.00 178.83 179.44 1a9u h LEU 232 N 0.24 0.57 -0.10 -2.39 5.85 -0.44 -0.19 115.31 118.85 1a9u h LEU 232 Ca 0.02 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1a9u h LEU 232 Cb 0.87 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1a9u h LEU 232 CO 0.07 0.30 -0.04 0.11 -0.34 0.00 0.00 178.44 178.53 1a9u h LYS 233 N 0.69 -0.03 -0.65 1.25 6.56 -0.92 -0.17 116.57 123.30 1a9u h LYS 233 Ca 0.41 0.00 0.03 0.00 -1.06 0.00 0.00 60.65 60.03 1a9u h LYS 233 Cb 0.46 0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 32.08 1a9u h LYS 233 CO -0.29 -0.02 0.40 -0.07 -2.06 0.00 0.00 179.45 177.41 1a9u h LEU 234 N -0.03 0.65 0.56 2.94 3.38 -0.69 -1.49 115.31 120.62 1a9u h LEU 234 Ca 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1a9u h LEU 234 Cb 0.11 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.74 1a9u h LEU 234 CO -0.12 0.45 -0.27 0.40 0.09 0.00 0.00 178.44 178.98 1a9u h ILE 235 N 0.78 0.45 0.00 1.22 2.04 -0.46 -2.82 117.51 118.72 1a9u h ILE 235 Ca 0.27 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 66.11 1a9u h ILE 235 Cb 0.04 0.45 -0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1a9u h ILE 235 CO -0.11 0.00 -0.03 -0.07 0.00 0.00 0.00 178.15 177.94 1a9u h LEU 236 N -0.76 0.00 -0.78 1.44 3.38 -0.83 -0.55 115.31 117.22 1a9u h LEU 236 Ca -0.08 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1a9u h LEU 236 Cb 0.58 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1a9u h LEU 236 CO 0.13 0.03 0.26 -0.09 0.09 0.00 0.00 178.44 178.85 1a9u h ARG 237 N 0.00 1.17 0.06 1.13 2.43 -1.02 0.24 114.38 118.39 1a9u h ARG 237 Ca -0.00 -0.24 -0.13 0.00 -0.81 0.00 0.00 59.98 58.80 1a9u h ARG 237 Cb 0.06 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1a9u h ARG 237 CO 0.00 0.98 -0.61 1.25 -1.51 0.00 0.00 179.97 180.08 1a9u h LEU 238 N 1.13 0.20 0.00 3.80 5.85 -1.22 -3.39 115.31 121.68 1a9u h LEU 238 Ca 0.25 -0.90 0.00 0.00 0.84 0.00 0.00 57.88 58.07 1a9u h LEU 238 Cb 0.28 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1a9u h LEU 238 CO -0.01 1.27 -0.61 0.58 -0.34 0.00 0.00 178.44 179.33 1a9u h VAL 239 N -0.71 0.00 0.00 1.05 2.07 -1.18 0.95 116.25 118.42 1a9u h VAL 239 Ca -0.13 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1a9u h VAL 239 Cb 1.34 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1a9u h VAL 239 CO 0.03 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.23 1a9u n GLY 240 N 1.31 0.33 3.85 2.17 0.00 0.85 -4.15 105.19 109.54 1a9u n GLY 240 Ca 0.03 -1.66 -0.32 0.00 0.00 0.00 0.00 46.02 44.07 1a9u n GLY 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a9u s THR 241 N -2.90 4.48 0.82 2.61 -4.23 -0.35 -4.63 115.64 111.44 1a9u s THR 241 Ca 0.00 1.04 -0.13 0.00 -1.18 0.00 0.00 61.69 61.42 1a9u s THR 241 Cb 0.00 -3.71 0.09 0.00 1.34 0.00 0.00 72.50 70.22 1a9u s THR 241 CO 0.00 -0.82 1.18 -2.65 -0.54 0.00 0.00 174.62 171.79 1a9u n PRO 242 N -2.09 0.12 -3.13 3.99 -0.02 -1.26 -4.84 135.00 127.76 1a9u n PRO 242 Ca 0.07 0.12 -0.18 0.00 -2.02 0.00 0.00 63.50 61.48 1a9u n PRO 242 Cb 0.54 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1a9u n PRO 242 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a9u n GLY 243 N 0.55 2.82 0.31 -1.23 0.00 -1.26 -4.91 105.19 101.46 1a9u n GLY 243 Ca 0.13 -2.26 0.05 0.00 0.00 0.00 0.00 46.02 43.94 1a9u n GLY 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9u h ALA 244 N 0.69 1.22 0.35 4.61 0.00 -1.99 -1.20 119.26 122.94 1a9u h ALA 244 Ca -0.24 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1a9u h ALA 244 Cb 0.90 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1a9u h ALA 244 CO 0.38 -0.00 -0.22 1.49 0.00 0.00 0.00 179.25 180.90 1a9u h GLU 245 N 0.70 -0.53 -0.52 0.00 4.81 -2.01 -2.17 114.58 114.87 1a9u h GLU 245 Ca 0.43 0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.60 1a9u h GLU 245 Cb 0.51 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 1a9u h GLU 245 CO -0.30 -0.35 -0.06 1.25 -0.73 0.00 0.00 179.01 178.82 1a9u h LEU 246 N -0.55 0.94 -0.96 1.64 7.12 -1.92 -2.98 115.31 118.60 1a9u h LEU 246 Ca -0.04 -0.33 0.15 0.00 0.13 0.00 0.00 57.88 57.79 1a9u h LEU 246 Cb 0.46 -0.26 -0.09 0.00 -0.53 0.00 0.00 40.66 40.24 1a9u h LEU 246 CO 0.03 1.05 0.58 -0.07 -0.13 0.00 0.00 178.44 179.90 1a9u h LEU 247 N 0.82 0.78 -1.04 2.25 3.38 -1.10 0.67 115.31 121.06 1a9u h LEU 247 Ca 0.14 0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.30 1a9u h LEU 247 Cb 0.60 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.20 1a9u h LEU 247 CO 0.04 0.35 0.63 0.11 0.09 0.00 0.00 178.44 179.66 1a9u h LYS 248 N 0.82 0.97 0.00 1.13 1.57 -1.23 -2.27 116.57 117.56 1a9u h LYS 248 Ca 0.52 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 1a9u h LYS 248 Cb 0.67 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1a9u h LYS 248 CO -0.33 0.64 0.00 1.63 -0.57 0.00 0.00 179.45 180.82 1a9u n LYS 249 N -4.60 0.20 -2.72 3.15 5.02 0.21 -4.68 118.16 114.74 1a9u n LYS 249 Ca 0.18 0.25 -0.43 0.00 -2.02 0.00 0.00 58.31 56.29 1a9u n LYS 249 Cb 0.34 -1.77 -0.03 0.00 -0.02 0.00 0.00 35.03 33.55 1a9u n LYS 249 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1a9u s ILE 250 N -3.14 4.67 0.06 -0.18 1.01 -0.86 -4.74 121.20 118.02 1a9u s ILE 250 Ca 0.09 1.80 -0.15 0.00 0.00 0.00 0.00 60.65 62.39 1a9u s ILE 250 Cb 0.12 -4.29 -0.27 0.00 0.01 0.00 0.00 42.46 38.03 1a9u s ILE 250 CO 0.51 -0.24 1.13 -1.28 0.00 0.00 0.00 174.94 175.06 1a9u h SER 251 N 7.71 0.90 -2.78 3.58 0.87 -1.56 -3.45 113.55 118.82 1a9u h SER 251 Ca -0.21 -0.79 -0.55 0.00 -1.23 0.00 0.00 61.79 59.02 1a9u h SER 251 Cb 1.07 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 1a9u h SER 251 CO 0.97 1.59 0.95 -0.55 -0.53 0.00 0.00 176.83 179.26 1a9u s SER 252 N -7.39 6.76 0.45 6.23 0.15 -1.26 -4.91 113.70 113.73 1a9u s SER 252 Ca -0.10 2.16 0.13 0.00 0.70 0.00 0.00 55.95 58.85 1a9u s SER 252 Cb 0.06 -2.55 1.00 0.00 -1.71 0.00 0.00 66.02 62.82 1a9u s SER 252 CO 0.93 -0.82 2.01 -0.08 1.20 0.00 0.00 173.24 176.49 1a9u h GLU 253 N 8.51 0.09 -0.09 5.44 4.81 -1.98 -0.70 114.58 130.64 1a9u h GLU 253 Ca -0.38 -0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 58.65 1a9u h GLU 253 Cb 1.17 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 1a9u h GLU 253 CO 0.93 0.20 -0.73 0.66 -0.73 0.00 0.00 179.01 179.34 1a9u h SER 254 N 0.08 0.55 -0.34 1.04 4.64 -1.98 0.35 113.55 117.90 1a9u h SER 254 Ca 0.02 -0.36 -0.03 0.00 -0.47 0.00 0.00 61.79 60.95 1a9u h SER 254 Cb 0.24 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1a9u h SER 254 CO 0.01 1.10 0.11 0.00 -0.87 0.00 0.00 176.83 177.19 1a9u h ALA 255 N 0.89 0.44 -0.53 5.18 0.00 -1.78 0.68 119.26 124.14 1a9u h ALA 255 Ca -0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1a9u h ALA 255 Cb 1.31 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1a9u h ALA 255 CO 0.13 0.07 0.17 0.00 0.00 0.00 0.00 179.25 179.62 1a9u h ARG 256 N 0.40 0.81 -0.73 0.00 3.08 -1.05 -0.74 114.38 116.14 1a9u h ARG 256 Ca 0.11 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1a9u h ARG 256 Cb 0.23 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 1a9u h ARG 256 CO -0.00 0.74 0.48 -0.91 -1.07 0.00 0.00 179.97 179.21 1a9u h ASN 257 N 0.72 0.85 0.25 7.04 -0.26 -0.55 -2.26 115.58 121.37 1a9u h ASN 257 Ca 0.17 -0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.87 1a9u h ASN 257 Cb 0.26 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.31 1a9u h ASN 257 CO -0.01 0.62 -0.12 0.22 -1.06 0.00 0.00 177.43 177.09 1a9u h TYR 258 N 0.99 -0.31 -0.75 1.19 3.20 0.68 -2.84 116.97 119.15 1a9u h TYR 258 Ca 0.27 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.30 1a9u h TYR 258 Cb -0.10 0.10 -0.13 0.00 1.54 0.00 0.00 36.73 38.14 1a9u h TYR 258 CO -0.02 -0.06 -0.03 0.82 -1.64 0.00 0.00 178.16 177.22 1a9u h ILE 259 N -0.51 0.33 0.00 1.81 1.08 -0.97 0.24 117.51 119.49 1a9u h ILE 259 Ca -0.03 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 1a9u h ILE 259 Cb 0.38 0.24 0.00 0.00 -3.07 0.00 0.00 36.82 34.37 1a9u h ILE 259 CO 0.06 0.01 0.00 0.00 -0.69 0.00 0.00 178.15 177.53 1a9u n GLN 260 N -5.37 0.08 0.00 2.37 6.02 -0.86 -1.32 117.38 118.30 1a9u n GLN 260 Ca 0.13 0.38 0.14 0.00 -0.01 0.00 0.00 57.00 57.63 1a9u n GLN 260 Cb 0.45 -1.67 0.53 0.00 1.02 0.00 0.00 30.24 30.56 1a9u n GLN 260 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1a9u n SER 261 N -1.83 0.17 -4.77 1.08 3.41 0.84 -4.81 113.62 107.71 1a9u n SER 261 Ca 0.02 0.19 -0.39 0.00 -0.26 0.00 0.00 58.87 58.43 1a9u n SER 261 Cb 0.16 -0.26 -0.06 0.00 -0.26 0.00 0.00 64.21 63.80 1a9u n SER 261 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1a9u s LEU 262 N -2.94 4.51 0.21 1.04 1.02 -0.43 -5.02 118.68 117.07 1a9u s LEU 262 Ca 0.15 1.47 -0.31 0.00 0.02 0.00 0.00 54.13 55.46 1a9u s LEU 262 Cb 0.19 -3.19 -0.10 0.00 0.02 0.00 0.00 46.19 43.11 1a9u s LEU 262 CO 0.57 0.12 1.50 -0.89 0.02 0.00 0.00 176.35 177.67 1a9u s THR 263 N -0.58 2.63 0.54 5.49 2.01 -1.26 -4.94 115.64 119.54 1a9u s THR 263 Ca 0.36 0.50 -0.20 0.00 0.31 0.00 0.00 61.69 62.65 1a9u s THR 263 Cb -0.21 -3.32 -0.05 0.00 0.01 0.00 0.00 72.50 68.93 1a9u s THR 263 CO 0.23 0.06 1.17 -1.10 -0.69 0.00 0.00 174.62 174.29 1a9u s GLN 264 N 0.27 3.30 -0.01 4.92 -0.21 -1.26 -4.93 119.66 121.74 1a9u s GLN 264 Ca 0.64 1.73 -0.02 0.00 0.02 0.00 0.00 55.36 57.73 1a9u s GLN 264 Cb -0.43 -2.06 0.00 0.00 1.00 0.00 0.00 33.01 31.52 1a9u s GLN 264 CO 0.38 -0.92 0.06 -1.64 -2.12 0.00 0.00 175.29 171.05 1a9u s MET 265 N -3.18 0.17 0.61 2.91 -1.94 -1.26 -4.96 119.30 111.65 1a9u s MET 265 Ca 0.73 -0.11 -0.07 0.00 -1.71 0.00 0.00 55.69 54.52 1a9u s MET 265 Cb -0.27 0.07 0.00 0.00 2.01 0.00 0.00 34.83 36.64 1a9u s MET 265 CO 0.31 -0.03 0.94 -1.25 -0.01 0.00 0.00 175.02 174.98 1a9u s PRO 266 N -0.43 3.04 0.49 2.03 0.04 -1.26 -1.22 135.00 137.68 1a9u s PRO 266 Ca -0.05 0.19 -0.23 0.00 0.04 0.00 0.00 61.00 60.95 1a9u s PRO 266 Cb -0.03 -2.21 -0.06 0.00 0.04 0.00 0.00 34.50 32.23 1a9u s PRO 266 CO 0.00 -0.70 1.28 0.21 0.04 0.00 0.00 177.00 177.82 1a9u s LYS 267 N -5.06 3.52 0.69 4.56 2.20 -1.26 -3.92 119.74 120.47 1a9u s LYS 267 Ca 0.54 2.05 -0.07 0.00 -0.36 0.00 0.00 55.97 58.13 1a9u s LYS 267 Cb -0.11 -2.40 0.05 0.00 -1.51 0.00 0.00 37.83 33.86 1a9u s LYS 267 CO 0.47 -0.83 1.02 -1.64 -0.36 0.00 0.00 175.35 174.01 1a9u s MET 268 N -2.71 2.39 -0.33 4.03 -1.94 0.33 -4.90 119.30 116.17 1a9u s MET 268 Ca 0.66 -0.09 -0.25 0.00 -1.71 0.00 0.00 55.69 54.30 1a9u s MET 268 Cb -0.36 -2.15 0.01 0.00 2.01 0.00 0.00 34.83 34.34 1a9u s MET 268 CO 0.43 -1.14 0.87 1.21 -0.01 0.00 0.00 175.02 176.38 1a9u s ASN 269 N -4.46 6.70 0.38 3.03 3.84 -1.26 -4.93 114.94 118.24 1a9u s ASN 269 Ca 0.59 0.69 0.13 0.00 0.21 0.00 0.00 52.86 54.48 1a9u s ASN 269 Cb -0.11 -2.44 0.77 0.00 -0.55 0.00 0.00 41.25 38.92 1a9u s ASN 269 CO 0.46 -0.72 1.85 -0.26 -2.79 0.00 0.00 177.10 175.64 1a9u h PHE 270 N 8.21 0.00 0.00 0.43 -1.00 -1.95 -2.00 116.94 120.64 1a9u h PHE 270 Ca -0.23 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.55 1a9u h PHE 270 Cb 1.09 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.65 1a9u h PHE 270 CO 0.80 0.34 0.00 0.00 -1.61 0.00 0.00 178.31 177.84 1a9u h ALA 271 N 1.66 1.00 -0.27 2.45 0.00 -1.92 0.24 119.26 122.42 1a9u h ALA 271 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a9u h ALA 271 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1a9u h ALA 271 CO 0.04 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.38 1a9u n ASN 272 N -2.67 2.91 -0.04 0.00 5.03 -0.76 -3.98 115.26 115.75 1a9u n ASN 272 Ca 0.01 -1.91 -0.08 0.00 0.87 0.00 0.00 54.58 53.46 1a9u n ASN 272 Cb 0.22 -0.17 -0.03 0.00 -1.02 0.00 0.00 39.78 38.78 1a9u n ASN 272 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1a9u n VAL 273 N 1.15 1.20 -2.22 2.41 0.31 -0.30 -4.72 118.33 116.17 1a9u n VAL 273 Ca 0.18 0.13 -0.42 0.00 -0.01 0.00 0.00 64.34 64.22 1a9u n VAL 273 Cb 0.53 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 1a9u n VAL 273 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1a9u n PHE 274 N -3.89 2.82 -1.65 3.52 3.72 0.68 -4.98 117.46 117.68 1a9u n PHE 274 Ca -0.13 -2.80 -0.46 0.00 -0.05 0.00 0.00 57.45 54.01 1a9u n PHE 274 Cb 0.40 -1.92 -0.04 0.00 -0.94 0.00 0.00 39.48 36.97 1a9u n PHE 274 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1a9u n ILE 275 N 2.88 0.58 -0.96 4.37 2.08 -1.26 -2.11 119.36 124.94 1a9u n ILE 275 Ca 0.47 -0.17 0.00 0.00 0.56 0.00 0.00 62.75 63.61 1a9u n ILE 275 Cb 0.33 -2.07 0.00 0.00 -0.75 0.00 0.00 39.64 37.15 1a9u n ILE 275 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1a9u n GLY 276 N 4.78 0.51 3.86 7.39 0.00 -1.26 -5.04 105.19 115.43 1a9u n GLY 276 Ca 0.24 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1a9u n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a9u s ALA 277 N -2.00 3.21 -0.08 4.61 0.00 -0.90 -4.95 121.76 121.65 1a9u s ALA 277 Ca 0.00 0.02 -0.36 0.00 0.00 0.00 0.00 51.96 51.61 1a9u s ALA 277 Cb 0.00 -2.92 -0.14 0.00 0.00 0.00 0.00 23.12 20.07 1a9u s ALA 277 CO 0.00 -0.08 1.74 -1.71 0.00 0.00 0.00 175.76 175.71 1a9u n ASN 278 N -1.33 2.90 -0.33 0.00 2.85 -1.26 -4.79 115.26 113.30 1a9u n ASN 278 Ca 0.05 1.03 0.29 0.00 -0.11 0.00 0.00 54.58 55.84 1a9u n ASN 278 Cb 0.54 -1.30 0.63 0.00 1.24 0.00 0.00 39.78 40.89 1a9u n ASN 278 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1a9u h PRO 279 N 7.62 0.19 -0.51 1.20 0.11 -1.97 0.42 132.00 139.06 1a9u h PRO 279 Ca -0.47 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 1a9u h PRO 279 Cb 1.29 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1a9u h PRO 279 CO 0.92 0.13 0.03 -0.07 -0.21 0.00 0.00 178.00 178.80 1a9u h LEU 280 N 0.19 0.80 -0.38 2.35 4.07 -1.99 0.01 115.31 120.36 1a9u h LEU 280 Ca 0.60 -0.19 -0.07 0.00 0.08 0.00 0.00 57.88 58.30 1a9u h LEU 280 Cb 1.93 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 43.45 1a9u h LEU 280 CO -0.18 0.85 -0.04 0.00 -1.08 0.00 0.00 178.44 177.98 1a9u h ALA 281 N 1.25 0.52 -0.22 1.53 0.00 -0.55 -1.94 119.26 119.85 1a9u h ALA 281 Ca 0.16 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1a9u h ALA 281 Cb 0.43 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1a9u h ALA 281 CO 0.02 0.34 0.14 0.28 0.00 0.00 0.00 179.25 180.03 1a9u h VAL 282 N 0.52 1.06 -0.51 0.00 2.07 -0.88 -1.57 116.25 116.94 1a9u h VAL 282 Ca 0.10 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.52 1a9u h VAL 282 Cb 0.54 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1a9u h VAL 282 CO 0.03 0.06 0.32 -0.78 0.02 0.00 0.00 177.57 177.22 1a9u h ASP 283 N 0.29 0.54 -0.49 0.57 3.58 -0.87 -1.89 116.42 118.15 1a9u h ASP 283 Ca 0.08 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 1a9u h ASP 283 Cb -0.03 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 40.88 1a9u h ASP 283 CO -0.02 0.38 0.28 0.25 -2.88 0.00 0.00 179.24 177.26 1a9u h LEU 284 N 0.65 0.60 -1.13 2.28 5.85 -1.14 -2.21 115.31 120.21 1a9u h LEU 284 Ca 0.20 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.93 1a9u h LEU 284 Cb -0.02 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 40.79 1a9u h LEU 284 CO -0.07 0.50 0.60 -0.07 -0.34 0.00 0.00 178.44 179.06 1a9u h LEU 285 N 0.65 0.89 -1.32 2.25 3.38 -0.88 0.00 115.31 120.28 1a9u h LEU 285 Ca 0.17 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 1a9u h LEU 285 Cb 0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1a9u h LEU 285 CO -0.03 0.54 -0.28 -0.33 0.09 0.00 0.00 178.44 178.42 1a9u h GLU 286 N 0.99 0.00 0.00 1.13 5.08 -0.76 0.79 114.58 121.81 1a9u h GLU 286 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 1a9u h GLU 286 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1a9u h GLU 286 CO -0.18 0.28 -0.49 0.87 -1.00 0.00 0.00 179.01 178.50 1a9u h LYS 287 N 0.00 0.00 0.05 2.33 1.57 -0.64 -3.36 116.57 116.52 1a9u h LYS 287 Ca -0.00 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.48 1a9u h LYS 287 Cb 0.66 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 1a9u h LYS 287 CO 0.04 0.00 -1.61 -1.33 -0.57 0.00 0.00 179.45 175.98 1a9u n MET 288 N -2.57 0.64 -1.95 3.15 2.81 -0.37 -1.96 117.12 116.87 1a9u n MET 288 Ca 0.03 0.44 -0.40 0.00 -1.81 0.00 0.00 57.70 55.95 1a9u n MET 288 Cb 0.50 -1.72 -0.01 0.00 -0.71 0.00 0.00 33.22 31.28 1a9u n MET 288 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1a9u n LEU 289 N -4.05 7.85 -4.65 4.03 4.32 0.22 -4.40 117.00 120.34 1a9u n LEU 289 Ca -0.33 -4.75 -0.35 0.00 -0.02 0.00 0.00 56.01 50.57 1a9u n LEU 289 Cb 0.83 -1.42 -0.09 0.00 -1.62 0.00 0.00 43.42 41.12 1a9u n LEU 289 CO 0.28 1.90 -0.23 -0.69 -1.22 0.00 0.00 177.39 177.43 1a9u s VAL 290 N -0.25 4.91 0.13 4.08 1.01 -1.26 -4.90 120.40 124.12 1a9u s VAL 290 Ca 0.53 0.01 -0.25 0.00 0.00 0.00 0.00 61.98 62.28 1a9u s VAL 290 Cb 0.17 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 1a9u s VAL 290 CO -0.07 0.45 1.64 0.25 0.00 0.00 0.00 175.10 177.37 1a9u h LEU 291 N 6.79 -0.72 -8.96 3.92 5.85 -1.91 -3.39 115.31 116.90 1a9u h LEU 291 Ca -0.38 0.11 -0.57 0.00 0.84 0.00 0.00 57.88 57.88 1a9u h LEU 291 Cb 1.16 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 42.47 1a9u h LEU 291 CO 0.71 -0.30 1.12 -0.62 -0.34 0.00 0.00 178.44 179.01 1a9u s ASP 292 N -4.94 6.33 0.57 1.25 -1.08 -1.26 -4.87 116.67 112.66 1a9u s ASP 292 Ca -0.15 1.38 0.26 0.00 -0.52 0.00 0.00 52.55 53.52 1a9u s ASP 292 Cb 0.10 -2.53 1.64 0.00 -1.46 0.00 0.00 42.92 40.67 1a9u s ASP 292 CO 0.66 -1.34 2.20 0.77 0.52 0.00 0.00 175.17 177.99 1a9u h SER 293 N 10.88 0.00 0.44 -0.34 4.64 -1.97 -1.02 113.55 126.18 1a9u h SER 293 Ca -0.32 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.97 1a9u h SER 293 Cb 1.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 1a9u h SER 293 CO 1.02 0.00 -0.18 0.44 -0.87 0.00 0.00 176.83 177.24 1a9u h ASP 294 N 0.00 0.00 -0.39 4.97 3.32 -1.93 -2.83 116.42 119.56 1a9u h ASP 294 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1a9u h ASP 294 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1a9u h ASP 294 CO -0.00 0.18 0.00 0.29 -1.72 0.00 0.00 179.24 177.99 1a9u n LYS 295 N -3.72 2.41 -1.42 3.56 5.02 -0.39 -4.97 118.16 118.65 1a9u n LYS 295 Ca -0.02 -2.22 -0.31 0.00 -2.02 0.00 0.00 58.31 53.74 1a9u n LYS 295 Cb 0.30 -1.47 0.08 0.00 -0.02 0.00 0.00 35.03 33.91 1a9u n LYS 295 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1a9u s ARG 296 N -1.34 2.47 0.43 1.97 0.52 -1.07 -4.96 118.95 116.96 1a9u s ARG 296 Ca 0.36 1.19 -0.22 0.00 -0.52 0.00 0.00 55.73 56.55 1a9u s ARG 296 Cb 0.21 -1.92 -0.10 0.00 0.52 0.00 0.00 34.95 33.65 1a9u s ARG 296 CO 0.29 -1.48 0.97 -1.50 0.02 0.00 0.00 175.30 173.60 1a9u s ILE 297 N -2.79 4.23 0.31 1.52 2.07 -0.83 -5.05 121.20 120.66 1a9u s ILE 297 Ca 0.62 1.45 -0.03 0.00 -1.41 0.00 0.00 60.65 61.29 1a9u s ILE 297 Cb -0.17 -3.62 -0.04 0.00 0.13 0.00 0.00 42.46 38.75 1a9u s ILE 297 CO 0.52 -0.24 0.55 0.42 -1.91 0.00 0.00 174.94 174.28 1a9u s THR 298 N -2.06 5.06 0.20 4.00 -4.23 -1.26 -4.91 115.64 112.44 1a9u s THR 298 Ca 0.61 -0.16 -0.12 0.00 -1.18 0.00 0.00 61.69 60.85 1a9u s THR 298 Cb -0.12 -3.79 0.14 0.00 1.34 0.00 0.00 72.50 70.07 1a9u s THR 298 CO 0.16 -0.43 1.70 0.00 -0.54 0.00 0.00 174.62 175.52 1a9u h ALA 299 N 1.29 0.60 -0.53 3.99 0.00 -1.92 0.22 119.26 122.92 1a9u h ALA 299 Ca -0.48 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1a9u h ALA 299 Cb 1.20 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1a9u h ALA 299 CO 0.64 -0.32 0.29 0.00 0.00 0.00 0.00 179.25 179.86 1a9u h ALA 300 N 1.44 1.51 -0.17 0.00 0.00 -1.94 -1.29 119.26 118.82 1a9u h ALA 300 Ca 0.28 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1a9u h ALA 300 Cb 0.40 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1a9u h ALA 300 CO -0.38 0.41 -0.17 1.96 0.00 0.00 0.00 179.25 181.07 1a9u h GLN 301 N 0.73 0.41 -0.88 0.00 4.20 -1.49 -3.21 115.11 114.86 1a9u h GLN 301 Ca 0.19 -0.22 0.06 0.00 0.06 0.00 0.00 58.65 58.74 1a9u h GLN 301 Cb 0.02 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 27.75 1a9u h GLN 301 CO -0.03 0.78 0.58 0.00 -0.67 0.00 0.00 178.83 179.48 1a9u h ALA 302 N 0.62 1.52 0.00 3.87 0.00 -0.01 -1.56 119.26 123.70 1a9u h ALA 302 Ca 0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1a9u h ALA 302 Cb 0.70 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1a9u h ALA 302 CO 0.04 0.35 -0.08 -0.07 0.00 0.00 0.00 179.25 179.50 1a9u h LEU 303 N 1.01 0.00 -0.30 0.00 3.38 -1.26 -0.71 115.31 117.43 1a9u h LEU 303 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1a9u h LEU 303 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1a9u h LEU 303 CO -0.13 0.08 -0.17 0.00 0.09 0.00 0.00 178.44 178.30 1a9u n ALA 304 N -2.38 2.89 -1.77 1.53 0.00 -0.60 -4.72 120.51 115.46 1a9u n ALA 304 Ca -0.03 -0.31 -0.40 0.00 0.00 0.00 0.00 53.44 52.70 1a9u n ALA 304 Cb 0.17 -1.26 0.01 0.00 0.00 0.00 0.00 19.45 18.36 1a9u n ALA 304 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1a9u s HIS 305 N -2.53 2.56 0.64 0.00 5.04 -0.28 -4.86 115.29 115.86 1a9u s HIS 305 Ca 0.26 1.25 0.32 0.00 -1.54 0.00 0.00 55.06 55.35 1a9u s HIS 305 Cb 0.20 -3.92 1.73 0.00 0.04 0.00 0.00 32.58 30.63 1a9u s HIS 305 CO 0.50 -2.82 1.97 0.00 -2.34 0.00 0.00 174.74 172.05 1a9u h ALA 306 N 2.63 1.27 -0.01 1.58 0.00 -1.91 -1.83 119.26 120.99 1a9u h ALA 306 Ca -0.51 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 1a9u h ALA 306 Cb 1.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1a9u h ALA 306 CO 0.62 -0.27 -0.28 -0.92 0.00 0.00 0.00 179.25 178.40 1a9u h TYR 307 N 0.00 0.01 -0.52 0.00 3.20 -1.89 -2.64 116.97 115.14 1a9u h TYR 307 Ca 0.00 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.78 1a9u h TYR 307 Cb 0.55 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.77 1a9u h TYR 307 CO 0.00 0.29 0.09 1.19 -1.64 0.00 0.00 178.16 178.09 1a9u n PHE 308 N -4.20 1.78 -0.22 -3.82 3.72 -0.69 -4.65 117.46 109.38 1a9u n PHE 308 Ca -0.02 -1.01 0.23 0.00 -0.05 0.00 0.00 57.45 56.60 1a9u n PHE 308 Cb 0.33 -0.51 0.60 0.00 -0.94 0.00 0.00 39.48 38.96 1a9u n PHE 308 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a9u h ALA 309 N 2.62 2.48 0.00 4.37 0.00 -1.56 0.14 119.26 127.31 1a9u h ALA 309 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1a9u h ALA 309 Cb 1.92 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1a9u h ALA 309 CO 0.49 -0.76 0.00 0.94 0.00 0.00 0.00 179.25 179.91 1a9u n GLN 310 N -4.42 0.23 0.00 0.00 7.27 -1.26 -4.15 117.38 115.05 1a9u n GLN 310 Ca 0.19 0.30 0.00 0.00 0.07 0.00 0.00 57.00 57.57 1a9u n GLN 310 Cb 0.83 -1.83 0.00 0.00 2.41 0.00 0.00 30.24 31.65 1a9u n GLN 310 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1a9u n TYR 311 N -2.23 0.00 -1.79 3.69 4.02 0.00 -5.07 117.16 115.78 1a9u n TYR 311 Ca 0.04 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.51 1a9u n TYR 311 Cb 0.34 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.64 1a9u n TYR 311 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1a9u s HIS 312 N -1.59 2.79 -0.29 -0.72 2.46 0.26 -4.97 115.29 113.23 1a9u s HIS 312 Ca 0.00 0.73 0.03 0.00 0.47 0.00 0.00 55.06 56.30 1a9u s HIS 312 Cb 0.00 -4.06 0.18 0.00 -0.13 0.00 0.00 32.58 28.57 1a9u s HIS 312 CO 0.00 -3.63 0.51 0.34 -2.47 0.00 0.00 174.74 169.49 1a9u s ASP 313 N 0.59 -0.72 0.65 9.88 2.15 -1.26 -4.98 116.67 122.98 1a9u s ASP 313 Ca 0.65 0.05 0.32 0.00 0.43 0.00 0.00 52.55 53.99 1a9u s ASP 313 Cb -0.48 1.64 1.73 0.00 -0.30 0.00 0.00 42.92 45.51 1a9u s ASP 313 CO 0.45 -0.32 2.00 1.55 -0.17 0.00 0.00 175.17 178.68 1a9u h PRO 314 N 8.07 0.00 0.00 4.34 0.13 -1.96 0.19 132.00 142.78 1a9u h PRO 314 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1a9u h PRO 314 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1a9u h PRO 314 CO 0.21 0.00 -0.19 -0.25 -0.23 0.00 0.00 178.00 177.55 1a9u n ASP 315 N -3.11 0.20 -0.81 1.44 8.00 -1.26 -3.59 116.55 117.43 1a9u n ASP 315 Ca -0.01 0.23 0.02 0.00 0.71 0.00 0.00 54.79 55.74 1a9u n ASP 315 Cb 0.37 -0.23 0.20 0.00 -0.02 0.00 0.00 41.12 41.44 1a9u n ASP 315 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1a9u n ASP 316 N -1.52 2.17 -3.44 -2.24 2.03 0.68 -4.76 116.55 109.47 1a9u n ASP 316 Ca 0.06 -3.75 -0.26 0.00 0.52 0.00 0.00 54.79 51.36 1a9u n ASP 316 Cb 0.34 -0.57 -0.09 0.00 -0.72 0.00 0.00 41.12 40.09 1a9u n ASP 316 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1a9u n GLU 317 N -1.12 1.41 -1.42 -0.67 1.02 -1.23 -4.96 120.64 113.67 1a9u n GLU 317 Ca 0.25 -3.92 -0.33 0.00 -0.02 0.00 0.00 57.16 53.14 1a9u n GLU 317 Cb 0.84 -1.84 0.09 0.00 -0.02 0.00 0.00 31.44 30.50 1a9u n GLU 317 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1a9u s PRO 318 N -1.41 2.24 0.49 3.49 0.04 -1.26 -4.97 135.00 133.61 1a9u s PRO 318 Ca 0.34 1.51 0.07 0.00 0.04 0.00 0.00 61.00 62.96 1a9u s PRO 318 Cb 0.10 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.78 1a9u s PRO 318 CO -0.11 -1.71 0.42 0.14 0.04 0.00 0.00 177.00 175.78 1a9u s VAL 319 N -2.34 2.15 0.45 -0.36 -7.23 -1.26 -4.22 120.40 107.58 1a9u s VAL 319 Ca 0.69 -1.40 0.02 0.00 -1.81 0.00 0.00 61.98 59.48 1a9u s VAL 319 Cb -0.23 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.17 1a9u s VAL 319 CO 0.47 0.00 0.65 0.00 -0.31 0.00 0.00 175.10 175.91 1a9u s ALA 320 N -2.63 3.92 0.71 1.32 0.00 -1.25 -5.00 121.76 118.82 1a9u s ALA 320 Ca 0.43 -1.22 -0.11 0.00 0.00 0.00 0.00 51.96 51.05 1a9u s ALA 320 Cb -0.02 -2.01 0.01 0.00 0.00 0.00 0.00 23.12 21.10 1a9u s ALA 320 CO 0.26 -0.39 1.07 -0.51 0.00 0.00 0.00 175.76 176.19 1a9u s ASP 321 N -4.26 5.37 0.37 0.00 1.01 -1.26 -4.80 116.67 113.10 1a9u s ASP 321 Ca 0.50 1.39 -0.28 0.00 0.71 0.00 0.00 52.55 54.87 1a9u s ASP 321 Cb -0.10 -2.26 -0.11 0.00 1.01 0.00 0.00 42.92 41.46 1a9u s ASP 321 CO 0.36 -1.42 1.48 -2.84 0.21 0.00 0.00 175.17 172.96 1a9u s PRO 322 N -5.17 4.13 -0.27 8.23 0.02 -1.26 -4.75 135.00 135.93 1a9u s PRO 322 Ca 0.58 2.54 -0.05 0.00 0.02 0.00 0.00 61.00 64.09 1a9u s PRO 322 Cb -0.13 -2.98 0.01 0.00 0.02 0.00 0.00 34.50 31.42 1a9u s PRO 322 CO 0.54 -0.51 0.03 -0.47 -0.33 0.00 0.00 177.00 176.26 1a9u s TYR 323 N -1.06 3.10 -0.59 6.54 5.04 -1.26 -5.07 117.35 124.05 1a9u s TYR 323 Ca 0.53 -1.05 -0.26 0.00 -2.44 0.00 0.00 57.07 53.85 1a9u s TYR 323 Cb -0.46 -2.19 0.04 0.00 0.35 0.00 0.00 41.96 39.69 1a9u s TYR 323 CO 0.62 -0.59 1.10 0.34 -1.34 0.00 0.00 175.55 175.68 1a9u s ASP 324 N 1.47 6.37 -0.23 4.32 -1.08 -1.26 -4.88 116.67 121.38 1a9u s ASP 324 Ca 0.03 -0.17 0.14 0.00 -0.52 0.00 0.00 52.55 52.04 1a9u s ASP 324 Cb -0.16 -2.51 0.65 0.00 -1.46 0.00 0.00 42.92 39.44 1a9u s ASP 324 CO 0.00 -1.42 1.58 0.00 0.52 0.00 0.00 175.17 175.85 1a9u n GLN 325 N 8.15 3.55 -0.32 4.34 6.02 -1.26 -4.62 117.38 133.25 1a9u n GLN 325 Ca 0.05 -3.00 0.08 0.00 -0.01 0.00 0.00 57.00 54.12 1a9u n GLN 325 Cb 0.48 -2.03 0.25 0.00 1.02 0.00 0.00 30.24 29.96 1a9u n GLN 325 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 1a9u h SER 326 N 2.52 0.65 -1.05 1.08 0.02 -2.02 0.28 113.55 115.03 1a9u h SER 326 Ca 0.05 0.09 0.30 0.00 -0.84 0.00 0.00 61.79 61.40 1a9u h SER 326 Cb 1.75 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 64.23 1a9u h SER 326 CO 0.39 0.27 0.76 2.19 -1.14 0.00 0.00 176.83 179.30 1a9u h PHE 327 N 0.71 0.00 -0.75 3.45 -5.15 -1.97 -0.44 116.94 112.80 1a9u h PHE 327 Ca 0.49 0.00 0.19 0.00 -0.20 0.00 0.00 57.97 58.46 1a9u h PHE 327 Cb 0.68 -0.00 -0.04 0.00 0.22 0.00 0.00 35.95 36.81 1a9u h PHE 327 CO -0.06 0.00 0.52 0.93 -2.00 0.00 0.00 178.31 177.70 1a9u h GLU 328 N 0.00 0.14 -0.61 6.09 4.39 -1.30 0.21 114.58 123.51 1a9u h GLU 328 Ca 0.50 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.19 1a9u h GLU 328 Cb 2.01 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.63 1a9u h GLU 328 CO -0.01 0.09 0.00 -1.13 -1.16 0.00 0.00 179.01 176.81 1a9u n SER 329 N -4.39 3.85 -4.77 1.42 3.41 -0.18 -4.97 113.62 108.00 1a9u n SER 329 Ca 0.15 -2.11 -0.39 0.00 -0.26 0.00 0.00 58.87 56.26 1a9u n SER 329 Cb 0.72 -0.44 -0.06 0.00 -0.26 0.00 0.00 64.21 64.17 1a9u n SER 329 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1a9u s ARG 330 N -1.20 4.52 -0.60 4.33 3.52 0.75 -5.03 118.95 125.24 1a9u s ARG 330 Ca 0.43 1.10 -0.10 0.00 -0.13 0.00 0.00 55.73 57.03 1a9u s ARG 330 Cb 0.24 -3.29 0.16 0.00 -1.56 0.00 0.00 34.95 30.49 1a9u s ARG 330 CO 0.27 0.50 0.50 0.34 -0.81 0.00 0.00 175.30 176.09 1a9u s ASP 331 N -0.84 5.97 0.27 -2.12 2.15 -1.26 -5.05 116.67 115.80 1a9u s ASP 331 Ca 0.36 -2.28 0.11 0.00 0.43 0.00 0.00 52.55 51.17 1a9u s ASP 331 Cb -0.22 -2.06 -0.05 0.00 -0.30 0.00 0.00 42.92 40.28 1a9u s ASP 331 CO 0.25 -0.63 -0.17 -0.76 -0.17 0.00 0.00 175.17 173.69 1a9u s LEU 332 N 0.82 2.60 0.65 -1.34 1.43 -1.26 -5.15 118.68 116.42 1a9u s LEU 332 Ca 0.11 -1.06 -0.07 0.00 -1.03 0.00 0.00 54.13 52.08 1a9u s LEU 332 Cb -0.21 -0.98 0.03 0.00 0.03 0.00 0.00 46.19 45.06 1a9u s LEU 332 CO -0.03 -0.05 0.97 -0.76 0.23 0.00 0.00 176.35 176.71 1a9u s LEU 333 N -3.48 3.04 0.14 1.79 1.43 -1.26 -4.87 118.68 115.47 1a9u s LEU 333 Ca 0.29 0.70 -0.23 0.00 -1.03 0.00 0.00 54.13 53.85 1a9u s LEU 333 Cb -0.03 -3.46 0.00 0.00 0.03 0.00 0.00 46.19 42.74 1a9u s LEU 333 CO 0.13 -1.29 1.63 0.40 0.23 0.00 0.00 176.35 177.46 1a9u h ILE 334 N -0.39 0.42 -0.25 -0.59 2.04 -1.92 -0.50 117.51 116.32 1a9u h ILE 334 Ca -0.45 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.48 1a9u h ILE 334 Cb 1.28 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1a9u h ILE 334 CO 0.61 0.00 0.26 0.44 0.00 0.00 0.00 178.15 179.46 1a9u h ASP 335 N -0.28 0.00 0.61 1.72 5.19 -1.95 0.29 116.42 122.00 1a9u h ASP 335 Ca 0.11 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.25 1a9u h ASP 335 Cb 0.45 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.96 1a9u h ASP 335 CO -0.33 0.00 -1.31 -0.33 -3.12 0.00 0.00 179.24 174.15 1a9u h GLU 336 N 0.00 0.23 -0.17 3.56 5.08 -1.49 -0.37 114.58 121.43 1a9u h GLU 336 Ca 0.12 -0.40 -0.18 0.00 -1.00 0.00 0.00 59.36 57.90 1a9u h GLU 336 Cb 0.64 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 1a9u h GLU 336 CO -0.00 1.15 -0.63 -1.49 -1.00 0.00 0.00 179.01 177.04 1a9u h TRP 337 N 0.06 0.77 -0.28 4.33 -0.00 -0.14 -2.08 115.95 118.61 1a9u h TRP 337 Ca -0.16 -0.30 -0.09 0.00 -0.00 0.00 0.00 58.89 58.35 1a9u h TRP 337 Cb 1.97 -0.13 -0.01 0.00 -0.00 0.00 0.00 29.16 30.98 1a9u h TRP 337 CO 0.06 1.06 -0.20 -0.22 -0.00 0.00 0.00 178.44 179.14 1a9u h LYS 338 N 0.44 0.50 -0.12 0.49 3.64 -0.51 -0.75 116.57 120.26 1a9u h LYS 338 Ca -0.01 -0.17 -0.19 0.00 -1.27 0.00 0.00 60.65 59.00 1a9u h LYS 338 Cb 1.20 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.99 1a9u h LYS 338 CO 0.12 0.68 -0.69 1.03 -2.27 0.00 0.00 179.45 178.32 1a9u h SER 339 N 0.45 0.81 -0.75 4.20 0.87 -0.92 -2.12 113.55 116.09 1a9u h SER 339 Ca 0.07 -0.65 -0.04 0.00 -1.23 0.00 0.00 61.79 59.95 1a9u h SER 339 Cb 0.60 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.29 1a9u h SER 339 CO 0.04 1.33 0.31 -0.07 -0.53 0.00 0.00 176.83 177.91 1a9u h LEU 340 N 0.35 1.03 -0.08 2.23 4.07 -1.20 -1.23 115.31 120.47 1a9u h LEU 340 Ca -0.05 -0.17 -0.00 0.00 0.08 0.00 0.00 57.88 57.74 1a9u h LEU 340 Cb 1.33 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 42.80 1a9u h LEU 340 CO 0.14 0.92 0.04 0.74 -1.08 0.00 0.00 178.44 179.20 1a9u h THR 341 N 1.08 1.10 -0.88 0.22 2.02 -1.14 -1.88 112.91 113.43 1a9u h THR 341 Ca 0.25 -0.28 0.09 0.00 0.77 0.00 0.00 66.41 67.25 1a9u h THR 341 Cb 0.20 1.13 -0.07 0.00 -1.74 0.00 0.00 68.15 67.67 1a9u h THR 341 CO -0.02 0.08 0.53 0.22 0.37 0.00 0.00 175.52 176.70 1a9u h TYR 342 N 0.02 0.96 -0.55 3.16 3.20 -1.03 0.12 116.97 122.86 1a9u h TYR 342 Ca 0.03 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 1a9u h TYR 342 Cb 0.10 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 1a9u h TYR 342 CO -0.04 0.41 0.26 -0.44 -1.64 0.00 0.00 178.16 176.71 1a9u h ASP 343 N 0.89 0.72 -0.32 -2.11 3.32 -0.96 0.17 116.42 118.13 1a9u h ASP 343 Ca 0.42 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 57.26 1a9u h ASP 343 Cb 0.35 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1a9u h ASP 343 CO -0.23 0.66 -0.04 -0.33 -1.72 0.00 0.00 179.24 177.57 1a9u h GLU 344 N 0.74 0.71 0.57 3.56 4.39 -0.42 -0.34 114.58 123.80 1a9u h GLU 344 Ca 0.19 -0.20 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1a9u h GLU 344 Cb 0.13 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1a9u h GLU 344 CO -0.02 0.76 -0.28 0.28 -1.16 0.00 0.00 179.01 178.59 1a9u h VAL 345 N 0.66 0.00 -0.96 3.13 2.07 -0.41 -2.97 116.25 117.77 1a9u h VAL 345 Ca 0.13 -0.32 0.26 0.00 0.82 0.00 0.00 66.70 67.59 1a9u h VAL 345 Cb 0.48 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.11 1a9u h VAL 345 CO 0.02 0.00 0.51 0.40 0.02 0.00 0.00 177.57 178.52 1a9u h ILE 346 N -1.09 0.44 -0.06 4.57 1.08 -0.62 -1.62 117.51 120.21 1a9u h ILE 346 Ca -0.08 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 1a9u h ILE 346 Cb 0.59 -0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.31 1a9u h ILE 346 CO 0.13 0.08 0.00 -1.54 -0.69 0.00 0.00 178.15 176.13 1a9u n SER 347 N -5.00 1.11 -4.68 1.72 3.41 -0.14 -4.94 113.62 105.10 1a9u n SER 347 Ca 0.26 -1.47 -0.45 0.00 -0.26 0.00 0.00 58.87 56.95 1a9u n SER 347 Cb 0.78 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.66 1a9u n SER 347 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1a9u n PHE 348 N -0.10 2.42 -3.88 7.33 7.35 -0.61 -4.96 117.46 125.02 1a9u n PHE 348 Ca 0.18 -0.00 -0.35 0.00 -0.76 0.00 0.00 57.45 56.52 1a9u n PHE 348 Cb 0.27 -2.66 -0.14 0.00 0.35 0.00 0.00 39.48 37.30 1a9u n PHE 348 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1a9u s VAL 349 N 2.80 3.54 0.56 -2.13 1.01 -1.26 -5.03 120.40 119.89 1a9u s VAL 349 Ca 0.85 -0.46 -0.20 0.00 0.00 0.00 0.00 61.98 62.16 1a9u s VAL 349 Cb -0.60 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 1a9u s VAL 349 CO 0.43 0.39 1.28 -2.16 0.00 0.00 0.00 175.10 175.03 1a9u s PRO 350 N 1.50 3.08 0.38 2.72 0.04 -1.26 -4.99 135.00 136.47 1a9u s PRO 350 Ca 0.06 2.04 -0.27 0.00 0.04 0.00 0.00 61.00 62.87 1a9u s PRO 350 Cb -0.15 -2.12 -0.09 0.00 0.04 0.00 0.00 34.50 32.18 1a9u s PRO 350 CO -0.02 -1.18 1.28 -1.25 0.04 0.00 0.00 177.00 175.88 1a9u s PRO 351 N -3.07 4.10 0.71 0.56 0.04 -1.26 -4.98 135.00 131.10 1a9u s PRO 351 Ca 0.74 2.13 -0.13 0.00 0.04 0.00 0.00 61.00 63.77 1a9u s PRO 351 Cb -0.36 -2.85 0.02 0.00 0.04 0.00 0.00 34.50 31.36 1a9u s PRO 351 CO 0.41 -0.37 1.11 -1.25 0.04 0.00 0.00 177.00 176.94 1a9u s PRO 352 N -2.10 2.53 -0.49 0.56 0.04 -1.26 -5.01 135.00 129.27 1a9u s PRO 352 Ca 0.54 1.35 -0.15 0.00 0.04 0.00 0.00 61.00 62.79 1a9u s PRO 352 Cb -0.38 -1.92 0.09 0.00 0.04 0.00 0.00 34.50 32.34 1a9u s PRO 352 CO 0.49 -1.46 0.41 -0.51 0.04 0.00 0.00 177.00 175.97 1a9u s LEU 353 N -5.27 5.75 0.00 -3.56 1.43 -1.26 -5.24 118.68 110.53 1a9u s LEU 353 Ca 0.66 -1.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 1a9u s LEU 353 Cb -0.20 -2.17 0.00 0.00 0.03 0.00 0.00 46.19 43.85 1a9u s LEU 353 CO 0.47 -0.70 0.00 0.47 0.23 0.00 0.00 176.35 176.82