#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rrx h LYS 3 N 0.00 0.63 0.00 -1.46 3.64 -1.86 -3.38 116.57 114.13 1rrx h LYS 3 Ca 0.00 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1rrx h LYS 3 Cb 0.00 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1rrx h LYS 3 CO 0.00 1.08 0.00 0.41 -2.27 0.00 0.00 179.45 178.67 1rrx n GLY 4 N 0.56 -0.92 0.25 5.01 0.00 -1.19 -4.62 105.19 104.28 1rrx n GLY 4 Ca -0.07 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.92 1rrx n GLY 4 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1rrx h GLU 5 N 0.00 0.72 -0.26 1.61 4.81 -1.75 -1.33 114.58 118.39 1rrx h GLU 5 Ca 0.00 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1rrx h GLU 5 Cb 0.11 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1rrx h GLU 5 CO 0.00 0.48 0.18 0.93 -0.73 0.00 0.00 179.01 179.87 1rrx h GLU 6 N 0.75 0.25 0.00 1.92 3.07 -1.85 -2.07 114.58 116.65 1rrx h GLU 6 Ca 0.26 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.11 1rrx h GLU 6 Cb 0.06 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1rrx h GLU 6 CO -0.12 0.17 0.00 -0.07 -1.40 0.00 0.00 179.01 177.59 1rrx h LEU 7 N 0.26 0.00 -2.46 1.33 4.07 -1.54 -3.08 115.31 113.88 1rrx h LEU 7 Ca 0.11 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1rrx h LEU 7 Cb 0.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.85 1rrx h LEU 7 CO -0.02 0.00 0.00 0.49 -1.08 0.00 0.00 178.44 177.83 1rrx n PHE 8 N -2.82 0.28 0.30 1.13 3.72 -0.78 -4.61 117.46 114.67 1rrx n PHE 8 Ca -0.00 -0.36 0.16 0.00 -0.05 0.00 0.00 57.45 57.20 1rrx n PHE 8 Cb 0.20 -0.02 0.94 0.00 -0.94 0.00 0.00 39.48 39.65 1rrx n PHE 8 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rrx h THR 9 N 1.78 0.46 -2.92 4.37 1.03 -1.54 -3.37 112.91 112.73 1rrx h THR 9 Ca 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 66.41 66.35 1rrx h THR 9 Cb 0.61 1.03 0.00 0.00 -1.07 0.00 0.00 68.15 68.72 1rrx h THR 9 CO 0.00 0.01 0.00 0.61 -0.01 0.00 0.00 175.52 176.13 1rrx n GLY 10 N -1.23 4.49 3.72 2.99 0.00 -1.26 -4.80 105.19 109.09 1rrx n GLY 10 Ca -0.03 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 1rrx n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rrx s VAL 11 N -1.24 3.16 -0.11 1.61 1.01 -1.26 -4.51 120.40 119.05 1rrx s VAL 11 Ca 0.00 0.87 0.03 0.00 0.00 0.00 0.00 61.98 62.88 1rrx s VAL 11 Cb 0.00 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.83 1rrx s VAL 11 CO 0.00 0.09 -0.22 -0.69 0.00 0.00 0.00 175.10 174.28 1rrx s VAL 12 N 0.78 1.94 0.45 2.92 1.01 -0.05 -4.98 120.40 122.46 1rrx s VAL 12 Ca 0.63 -0.93 -0.24 0.00 0.00 0.00 0.00 61.98 61.44 1rrx s VAL 12 Cb -0.38 -1.70 -0.08 0.00 0.00 0.00 0.00 36.38 34.23 1rrx s VAL 12 CO 0.33 0.53 1.18 -2.16 0.00 0.00 0.00 175.10 174.99 1rrx s PRO 13 N 0.56 3.81 -0.04 2.72 0.04 -1.26 -1.17 135.00 139.66 1rrx s PRO 13 Ca -0.14 1.84 0.03 0.00 0.04 0.00 0.00 61.00 62.77 1rrx s PRO 13 Cb -0.17 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.88 1rrx s PRO 13 CO 0.05 -0.52 -0.13 0.42 0.04 0.00 0.00 177.00 176.85 1rrx s ILE 14 N -1.48 1.14 -0.03 0.56 1.01 0.24 -1.13 121.20 121.50 1rrx s ILE 14 Ca 0.62 -0.55 0.06 0.00 0.00 0.00 0.00 60.65 60.79 1rrx s ILE 14 Cb -0.30 -0.99 -0.01 0.00 0.01 0.00 0.00 42.46 41.16 1rrx s ILE 14 CO 0.37 0.34 -0.23 -0.76 0.00 0.00 0.00 174.94 174.66 1rrx s LEU 15 N 0.17 2.03 -0.03 2.97 1.43 -0.58 -1.92 118.68 122.75 1rrx s LEU 15 Ca -0.05 -0.44 0.04 0.00 -1.03 0.00 0.00 54.13 52.65 1rrx s LEU 15 Cb -0.11 -1.23 -0.00 0.00 0.03 0.00 0.00 46.19 44.88 1rrx s LEU 15 CO 0.02 0.26 -0.14 -0.69 0.23 0.00 0.00 176.35 176.02 1rrx s VAL 16 N -0.35 1.17 -0.04 -1.59 1.01 0.10 -1.68 120.40 119.03 1rrx s VAL 16 Ca 0.03 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 1rrx s VAL 16 Cb -0.11 -1.01 0.03 0.00 0.00 0.00 0.00 36.38 35.29 1rrx s VAL 16 CO 0.01 0.34 0.01 -1.61 0.00 0.00 0.00 175.10 173.85 1rrx s GLU 17 N -0.00 0.31 -0.01 2.72 0.41 -0.39 -0.38 118.70 121.36 1rrx s GLU 17 Ca -0.01 0.14 0.02 0.00 -0.41 0.00 0.00 54.97 54.71 1rrx s GLU 17 Cb -0.09 -0.61 -0.00 0.00 -1.78 0.00 0.00 34.13 31.65 1rrx s GLU 17 CO 0.01 -0.21 -0.08 -1.17 -0.49 0.00 0.00 175.26 173.32 1rrx s LEU 18 N 1.47 1.96 -0.09 1.80 0.20 -0.09 -0.52 118.68 123.40 1rrx s LEU 18 Ca -0.03 -0.14 0.04 0.00 0.69 0.00 0.00 54.13 54.69 1rrx s LEU 18 Cb -0.13 -0.41 -0.00 0.00 -0.43 0.00 0.00 46.19 45.22 1rrx s LEU 18 CO -0.03 0.08 -0.24 -1.81 -0.29 0.00 0.00 176.35 174.07 1rrx s ASP 19 N -0.09 3.12 0.12 3.68 1.01 -0.48 -0.93 116.67 123.10 1rrx s ASP 19 Ca 0.02 -0.54 0.04 0.00 0.71 0.00 0.00 52.55 52.77 1rrx s ASP 19 Cb -0.04 -1.33 -0.04 0.00 1.01 0.00 0.00 42.92 42.52 1rrx s ASP 19 CO -0.00 0.17 -0.10 -0.83 0.21 0.00 0.00 175.17 174.62 1rrx s GLY 20 N 0.26 0.94 -0.24 0.21 0.00 0.00 -1.25 107.32 107.25 1rrx s GLY 20 Ca -0.16 -1.33 -0.03 0.00 0.00 0.00 0.00 44.72 43.19 1rrx s GLY 20 CO 0.08 -1.42 0.24 -0.35 0.00 0.00 0.00 173.10 171.65 1rrx s ASP 21 N -2.80 1.57 -0.24 1.64 -1.08 -0.80 -1.87 116.67 113.09 1rrx s ASP 21 Ca 0.11 -0.43 -0.00 0.00 -0.52 0.00 0.00 52.55 51.70 1rrx s ASP 21 Cb 0.00 0.40 0.03 0.00 -1.46 0.00 0.00 42.92 41.89 1rrx s ASP 21 CO -0.00 -0.35 -0.09 -0.69 0.52 0.00 0.00 175.17 174.56 1rrx s VAL 22 N 2.33 2.64 -1.29 1.11 1.01 -0.22 -0.12 120.40 125.87 1rrx s VAL 22 Ca 0.08 -1.13 -0.04 0.00 0.00 0.00 0.00 61.98 60.90 1rrx s VAL 22 Cb -0.15 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 33.90 1rrx s VAL 22 CO -0.20 0.20 0.27 0.59 0.00 0.00 0.00 175.10 175.96 1rrx n ASN 23 N 4.62 -4.44 0.00 3.32 4.13 0.04 -1.02 115.26 121.92 1rrx n ASN 23 Ca -0.17 -0.10 0.00 0.00 1.68 0.00 0.00 54.58 55.99 1rrx n ASN 23 Cb 0.46 -3.69 0.00 0.00 -1.54 0.00 0.00 39.78 35.02 1rrx n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1rrx n GLY 24 N -1.08 2.04 3.60 7.41 0.00 -1.26 -5.01 105.19 110.89 1rrx n GLY 24 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 1rrx n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rrx s HIS 25 N -2.32 3.05 0.00 1.61 3.76 -0.19 -5.03 115.29 116.17 1rrx s HIS 25 Ca 0.00 0.72 -0.03 0.00 -0.15 0.00 0.00 55.06 55.60 1rrx s HIS 25 Cb 0.00 -3.72 -0.04 0.00 1.11 0.00 0.00 32.58 29.93 1rrx s HIS 25 CO 0.00 -0.88 0.21 0.15 -0.85 0.00 0.00 174.74 173.37 1rrx s LYS 26 N 3.55 3.48 0.19 1.40 1.02 -1.26 -1.05 119.74 127.06 1rrx s LYS 26 Ca 0.38 -0.26 -0.21 0.00 0.02 0.00 0.00 55.97 55.89 1rrx s LYS 26 Cb -0.12 -3.08 0.05 0.00 -0.52 0.00 0.00 37.83 34.16 1rrx s LYS 26 CO 0.20 0.66 0.61 -0.59 -0.92 0.00 0.00 175.35 175.31 1rrx s PHE 27 N -1.34 -0.39 -0.00 3.18 -0.71 -0.78 -4.96 117.98 112.97 1rrx s PHE 27 Ca 0.28 0.10 0.03 0.00 -1.04 0.00 0.00 56.93 56.30 1rrx s PHE 27 Cb -0.13 0.56 -0.01 0.00 -1.21 0.00 0.00 43.02 42.23 1rrx s PHE 27 CO 0.19 -0.94 -0.10 -1.12 -1.34 0.00 0.00 175.22 171.91 1rrx s SER 28 N -2.81 1.13 -0.03 1.98 0.01 -1.26 -0.82 113.70 111.90 1rrx s SER 28 Ca 0.04 -0.20 0.04 0.00 1.31 0.00 0.00 55.95 57.15 1rrx s SER 28 Cb -0.02 -0.12 -0.00 0.00 0.21 0.00 0.00 66.02 66.09 1rrx s SER 28 CO -0.07 0.10 -0.15 -0.69 0.41 0.00 0.00 173.24 172.84 1rrx s VAL 29 N -0.29 1.25 0.01 3.43 1.01 -0.10 -1.38 120.40 124.31 1rrx s VAL 29 Ca 0.03 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.47 1rrx s VAL 29 Cb -0.04 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 1rrx s VAL 29 CO -0.00 0.36 -0.25 -0.44 0.00 0.00 0.00 175.10 174.77 1rrx s SER 30 N -0.00 2.97 0.01 3.32 0.01 -0.54 -0.91 113.70 118.56 1rrx s SER 30 Ca -0.02 -0.50 -0.01 0.00 1.31 0.00 0.00 55.95 56.73 1rrx s SER 30 Cb -0.10 -0.30 -0.01 0.00 0.21 0.00 0.00 66.02 65.82 1rrx s SER 30 CO 0.01 0.28 -0.00 -0.83 0.41 0.00 0.00 173.24 173.11 1rrx s GLY 31 N -0.85 0.11 0.08 3.44 0.00 0.49 -0.58 107.32 110.02 1rrx s GLY 31 Ca 0.10 -0.26 0.01 0.00 0.00 0.00 0.00 44.72 44.57 1rrx s GLY 31 CO 0.00 -0.30 -0.06 -0.54 0.00 0.00 0.00 173.10 172.20 1rrx s GLU 32 N -0.74 0.75 0.00 2.90 2.02 -0.88 0.01 118.70 122.77 1rrx s GLU 32 Ca -0.08 -1.23 0.00 0.00 0.02 0.00 0.00 54.97 53.68 1rrx s GLU 32 Cb -0.05 -0.15 0.00 0.00 0.10 0.00 0.00 34.13 34.03 1rrx s GLU 32 CO -0.00 -0.02 0.00 0.41 0.02 0.00 0.00 175.26 175.66 1rrx n GLY 33 N 0.21 -0.37 3.41 -1.39 0.00 -0.81 -1.10 105.19 105.14 1rrx n GLY 33 Ca -0.14 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 1rrx n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1rrx s GLU 34 N -2.00 1.23 0.03 1.61 -1.05 0.31 -0.60 118.70 118.24 1rrx s GLU 34 Ca 0.00 -0.99 0.03 0.00 -0.15 0.00 0.00 54.97 53.87 1rrx s GLU 34 Cb 0.00 0.44 -0.02 0.00 -0.44 0.00 0.00 34.13 34.12 1rrx s GLU 34 CO 0.00 -0.48 -0.11 0.20 0.95 0.00 0.00 175.26 175.82 1rrx s GLY 35 N -2.91 0.60 -0.39 -3.83 0.00 -0.32 -1.25 107.32 99.23 1rrx s GLY 35 Ca 0.12 -0.68 0.01 0.00 0.00 0.00 0.00 44.72 44.16 1rrx s GLY 35 CO -0.03 -0.67 0.22 -0.35 0.00 0.00 0.00 173.10 172.27 1rrx s ASP 36 N -1.03 3.38 0.58 1.64 -1.08 0.32 -0.87 116.67 119.62 1rrx s ASP 36 Ca -0.01 -2.36 0.28 0.00 -0.52 0.00 0.00 52.55 49.94 1rrx s ASP 36 Cb -0.07 -0.75 1.61 0.00 -1.46 0.00 0.00 42.92 42.25 1rrx s ASP 36 CO 0.01 -0.30 2.07 0.00 0.52 0.00 0.00 175.17 177.47 1rrx h ALA 37 N 6.95 1.89 0.00 3.66 0.00 -1.75 -2.38 119.26 127.63 1rrx h ALA 37 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rrx h ALA 37 Cb 0.95 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1rrx h ALA 37 CO 0.39 -0.37 0.00 2.41 0.00 0.00 0.00 179.25 181.68 1rrx n THR 38 N -3.83 0.00 -2.31 0.00 -1.04 -1.26 -4.15 114.28 101.69 1rrx n THR 38 Ca 0.03 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.04 1rrx n THR 38 Cb 0.38 -0.04 -0.01 0.00 -1.82 0.00 0.00 70.33 68.85 1rrx n THR 38 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rrx n GLY 40 N 0.38 0.83 3.76 3.41 0.00 -1.05 -5.00 105.19 107.52 1rrx n GLY 40 Ca 0.00 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 1rrx n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rrx s LYS 41 N 0.00 4.07 -0.07 1.61 2.20 -0.92 -0.72 119.74 125.91 1rrx s LYS 41 Ca 0.21 0.02 0.03 0.00 -0.36 0.00 0.00 55.97 55.86 1rrx s LYS 41 Cb 0.24 -3.37 0.01 0.00 -1.51 0.00 0.00 37.83 33.21 1rrx s LYS 41 CO -0.11 0.39 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.62 1rrx s LEU 42 N 0.04 1.72 -0.18 5.43 1.43 0.99 -0.52 118.68 127.60 1rrx s LEU 42 Ca 0.15 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1rrx s LEU 42 Cb -0.13 -0.91 0.05 0.00 0.03 0.00 0.00 46.19 45.23 1rrx s LEU 42 CO 0.03 0.06 -0.03 0.42 0.23 0.00 0.00 176.35 177.06 1rrx s THR 43 N 0.59 0.97 0.04 5.49 -4.23 -0.38 -1.12 115.64 117.00 1rrx s THR 43 Ca -0.15 -0.65 -0.01 0.00 -1.18 0.00 0.00 61.69 59.71 1rrx s THR 43 Cb -0.16 -1.24 -0.03 0.00 1.34 0.00 0.00 72.50 72.40 1rrx s THR 43 CO 0.04 0.02 -0.02 -0.76 -0.54 0.00 0.00 174.62 173.36 1rrx s LEU 44 N 1.68 2.37 -0.10 4.79 2.01 -0.62 -0.53 118.68 128.29 1rrx s LEU 44 Ca -0.00 -0.83 0.01 0.00 0.01 0.00 0.00 54.13 53.32 1rrx s LEU 44 Cb -0.16 0.20 0.02 0.00 0.01 0.00 0.00 46.19 46.26 1rrx s LEU 44 CO -0.07 -0.51 -0.13 -0.75 1.01 0.00 0.00 176.35 175.90 1rrx s LYS 45 N -3.15 1.92 0.02 1.70 2.20 -0.26 -0.34 119.74 121.83 1rrx s LYS 45 Ca -0.00 -0.45 0.04 0.00 -0.36 0.00 0.00 55.97 55.20 1rrx s LYS 45 Cb 0.02 -1.69 -0.03 0.00 -1.51 0.00 0.00 37.83 34.62 1rrx s LYS 45 CO -0.07 -0.09 -0.08 -0.06 -0.36 0.00 0.00 175.35 174.70 1rrx s PHE 46 N 1.06 2.85 -0.03 4.03 0.40 0.10 -2.07 117.98 124.32 1rrx s PHE 46 Ca -0.06 -0.07 0.03 0.00 -0.60 0.00 0.00 56.93 56.23 1rrx s PHE 46 Cb -0.15 -1.57 0.00 0.00 0.51 0.00 0.00 43.02 41.81 1rrx s PHE 46 CO -0.02 0.37 -0.10 0.42 0.70 0.00 0.00 175.22 176.59 1rrx s ILE 47 N -1.03 0.90 -0.50 0.64 -1.09 0.26 -0.99 121.20 119.39 1rrx s ILE 47 Ca 0.18 -0.42 -0.24 0.00 -2.23 0.00 0.00 60.65 57.94 1rrx s ILE 47 Cb -0.11 -0.80 0.04 0.00 -1.58 0.00 0.00 42.46 40.01 1rrx s ILE 47 CO 0.09 0.28 0.87 0.00 -1.23 0.00 0.00 174.94 174.94 1rrx h THR 49 N 6.01 0.00 -0.09 0.00 1.35 -1.54 -3.18 112.91 115.45 1rrx h THR 49 Ca -0.25 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 1rrx h THR 49 Cb 1.08 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 1rrx h THR 49 CO 1.03 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 176.65 1rrx n THR 50 N -2.74 0.10 0.00 6.82 -2.24 -1.24 -4.98 114.28 110.00 1rrx n THR 50 Ca 0.04 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1rrx n THR 50 Cb 0.43 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 1rrx n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rrx n GLY 51 N 1.25 0.17 3.72 3.38 0.00 -1.20 -4.98 105.19 107.53 1rrx n GLY 51 Ca 0.17 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 1rrx n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1rrx s LYS 52 N -0.03 4.54 -0.09 1.61 2.20 -1.26 -4.47 119.74 122.24 1rrx s LYS 52 Ca 0.00 1.62 -0.30 0.00 -0.36 0.00 0.00 55.97 56.93 1rrx s LYS 52 Cb 0.00 -3.37 -0.03 0.00 -1.51 0.00 0.00 37.83 32.92 1rrx s LYS 52 CO 0.00 -0.07 1.26 -1.17 -0.36 0.00 0.00 175.35 175.01 1rrx s LEU 53 N 0.61 4.25 0.00 5.43 2.96 -1.26 -4.91 118.68 125.76 1rrx s LEU 53 Ca 0.53 1.81 0.12 0.00 -0.22 0.00 0.00 54.13 56.38 1rrx s LEU 53 Cb -0.26 -3.55 0.73 0.00 0.50 0.00 0.00 46.19 43.60 1rrx s LEU 53 CO 0.30 -0.68 1.23 -0.81 -1.32 0.00 0.00 176.35 175.07 1rrx n PRO 54 N 5.83 0.67 -3.96 0.98 -0.04 -1.26 -4.74 135.00 132.47 1rrx n PRO 54 Ca 0.13 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.51 1rrx n PRO 54 Cb 0.45 -1.29 -0.09 0.00 -0.04 0.00 0.00 33.50 32.54 1rrx n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1rrx s VAL 55 N -2.00 0.18 0.15 0.52 -7.23 -1.26 -4.61 120.40 106.14 1rrx s VAL 55 Ca 0.18 -1.46 -0.30 0.00 -1.81 0.00 0.00 61.98 58.59 1rrx s VAL 55 Cb 0.08 -1.40 -0.08 0.00 0.56 0.00 0.00 36.38 35.55 1rrx s VAL 55 CO 0.14 -0.81 1.24 -2.84 -0.31 0.00 0.00 175.10 172.52 1rrx s PRO 56 N -3.83 4.44 0.27 4.82 0.02 -1.26 -4.93 135.00 134.54 1rrx s PRO 56 Ca 0.05 1.90 -0.03 0.00 0.02 0.00 0.00 61.00 62.94 1rrx s PRO 56 Cb 0.06 -3.26 0.57 0.00 0.02 0.00 0.00 34.50 31.89 1rrx s PRO 56 CO -0.10 -0.19 1.62 -1.49 -0.33 0.00 0.00 177.00 176.50 1rrx h TRP 57 N 5.82 -0.00 -0.96 6.54 4.06 -1.96 0.72 115.95 130.16 1rrx h TRP 57 Ca -0.44 0.06 0.19 0.00 2.06 0.00 0.00 58.89 60.77 1rrx h TRP 57 Cb 1.21 0.14 -0.09 0.00 -1.00 0.00 0.00 29.16 29.42 1rrx h TRP 57 CO 0.64 -0.29 0.61 -1.35 -3.56 0.00 0.00 178.44 174.48 1rrx h PRO 58 N 0.09 0.59 0.00 0.49 0.11 -1.89 0.57 132.00 131.95 1rrx h PRO 58 Ca 0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.56 1rrx h PRO 58 Cb 0.92 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1rrx h PRO 58 CO -0.75 0.39 0.00 1.79 -0.21 0.00 0.00 178.00 179.22 1rrx h THR 59 N 0.61 0.00 0.00 -1.15 1.35 -1.23 -2.19 112.91 110.30 1rrx h THR 59 Ca 0.52 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 66.35 1rrx h THR 59 Cb 1.02 0.68 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 1rrx h THR 59 CO -0.28 0.00 -1.10 0.18 -0.25 0.00 0.00 175.52 174.07 1rrx n LEU 60 N -2.50 0.77 -0.18 3.87 4.77 0.18 -4.63 117.00 119.29 1rrx n LEU 60 Ca -0.02 -0.33 -0.01 0.00 -0.03 0.00 0.00 56.01 55.62 1rrx n LEU 60 Cb 0.06 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.19 1rrx n LEU 60 CO 0.14 0.18 0.81 0.58 -1.33 0.00 0.00 177.39 177.77 1rrx h VAL 61 N 0.00 0.52 -0.00 4.08 2.07 -1.34 -0.06 116.25 121.51 1rrx h VAL 61 Ca 0.00 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 67.41 1rrx h VAL 61 Cb 0.60 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1rrx h VAL 61 CO 0.00 0.01 -0.39 0.71 0.02 0.00 0.00 177.57 177.93 1rrx h THR 62 N 0.08 1.28 -0.04 2.57 1.35 -1.82 -3.05 112.91 113.28 1rrx h THR 62 Ca 0.28 -1.34 -0.17 0.00 -0.55 0.00 0.00 66.41 64.64 1rrx h THR 62 Cb 0.44 1.72 0.01 0.00 -1.73 0.00 0.00 68.15 68.59 1rrx h THR 62 CO -0.50 0.38 -0.62 0.74 -0.25 0.00 0.00 175.52 175.26 1rrx h THR 63 N 0.00 1.39 -1.16 6.82 2.02 -1.62 -3.46 112.91 116.90 1rrx h THR 63 Ca -0.00 -2.01 -0.61 0.00 0.77 0.00 0.00 66.41 64.55 1rrx h THR 63 Cb 0.69 2.42 -0.10 0.00 -1.74 0.00 0.00 68.15 69.42 1rrx h THR 63 CO 0.05 0.60 1.52 -0.76 0.37 0.00 0.00 175.52 177.30 1rrx s LEU 64 N -8.40 3.61 0.00 2.58 1.43 -0.12 -5.02 118.68 112.76 1rrx s LEU 64 Ca -0.13 -1.57 0.00 0.00 -1.03 0.00 0.00 54.13 51.41 1rrx s LEU 64 Cb 0.05 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.71 1rrx s LEU 64 CO 0.84 -1.46 0.00 1.33 0.23 0.00 0.00 176.35 177.29 1rrx n VAL 68 N 6.77 0.00 0.19 -1.59 0.24 -1.26 -5.04 118.33 117.64 1rrx n VAL 68 Ca 0.34 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.66 1rrx n VAL 68 Cb 0.50 0.00 0.11 0.00 -1.47 0.00 0.00 33.84 32.98 1rrx n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rrx n GLN 69 N 0.00 0.04 0.18 7.34 6.02 -1.26 -1.41 117.38 128.30 1rrx n GLN 69 Ca 0.00 0.30 0.14 0.00 -0.01 0.00 0.00 57.00 57.42 1rrx n GLN 69 Cb 0.00 -1.50 0.59 0.00 1.02 0.00 0.00 30.24 30.35 1rrx n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rrx n PHE 71 N -2.47 0.45 -2.51 0.00 3.72 -0.50 -4.74 117.46 111.42 1rrx n PHE 71 Ca 0.01 -0.22 -0.33 0.00 -0.05 0.00 0.00 57.45 56.85 1rrx n PHE 71 Cb 0.20 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.71 1rrx n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1rrx s SER 72 N -1.10 6.47 0.53 4.37 0.01 -0.57 -4.02 113.70 119.39 1rrx s SER 72 Ca 0.26 1.77 -0.01 0.00 1.31 0.00 0.00 55.95 59.29 1rrx s SER 72 Cb 0.14 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 63.86 1rrx s SER 72 CO 0.19 -0.69 0.25 -1.14 0.41 0.00 0.00 173.24 172.25 1rrx n ARG 73 N -1.18 0.35 -4.36 12.44 0.63 0.58 -4.77 116.66 120.36 1rrx n ARG 73 Ca 0.08 -0.62 -0.25 0.00 -0.92 0.00 0.00 57.85 56.14 1rrx n ARG 73 Cb 0.53 -0.18 -0.12 0.00 0.45 0.00 0.00 32.46 33.15 1rrx n ARG 73 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 1rrx s PRO 75 N -3.11 1.33 0.27 -0.14 0.02 -1.26 0.17 135.00 132.28 1rrx s PRO 75 Ca 0.16 -1.39 0.00 0.00 0.02 0.00 0.00 61.00 59.79 1rrx s PRO 75 Cb -0.01 -1.57 0.59 0.00 0.02 0.00 0.00 34.50 33.54 1rrx s PRO 75 CO 0.11 0.34 1.73 0.22 -0.33 0.00 0.00 177.00 179.06 1rrx h ASP 76 N 3.48 0.38 0.10 2.53 3.58 -2.01 0.51 116.42 124.98 1rrx h ASP 76 Ca -0.45 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.12 1rrx h ASP 76 Cb 1.20 0.08 0.00 0.00 1.72 0.00 0.00 39.33 42.33 1rrx h ASP 76 CO 0.46 0.10 0.00 0.00 -2.88 0.00 0.00 179.24 176.92 1rrx n HIS 77 N -4.98 0.00 -0.50 0.28 1.44 -1.26 -2.74 115.22 107.46 1rrx n HIS 77 Ca 0.18 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.94 1rrx n HIS 77 Cb 0.52 -0.08 0.08 0.00 0.12 0.00 0.00 29.99 30.64 1rrx n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1rrx n MET 78 N -1.08 2.30 -0.28 -1.40 2.81 0.16 -4.80 117.12 114.84 1rrx n MET 78 Ca 0.15 -2.06 0.16 0.00 -1.81 0.00 0.00 57.70 54.13 1rrx n MET 78 Cb 0.10 -1.28 0.43 0.00 -0.71 0.00 0.00 33.22 31.76 1rrx n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1rrx h LYS 79 N 0.27 0.56 -0.02 0.03 1.79 -1.36 -0.88 116.57 116.96 1rrx h LYS 79 Ca 0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1rrx h LYS 79 Cb 0.78 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1rrx h LYS 79 CO 0.02 0.37 0.00 1.04 -1.08 0.00 0.00 179.45 179.79 1rrx n GLN 80 N -4.58 1.05 -0.07 3.15 6.02 -1.26 -3.00 117.38 118.68 1rrx n GLN 80 Ca 0.20 -0.07 0.06 0.00 -0.01 0.00 0.00 57.00 57.17 1rrx n GLN 80 Cb 0.60 -1.11 0.09 0.00 1.02 0.00 0.00 30.24 30.84 1rrx n GLN 80 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1rrx n HIS 81 N -0.53 0.20 -2.90 1.08 8.25 -0.34 -4.59 115.22 116.39 1rrx n HIS 81 Ca 0.05 -0.21 -0.44 0.00 -0.26 0.00 0.00 57.72 56.86 1rrx n HIS 81 Cb 0.04 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.12 1rrx n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1rrx s ASP 82 N -0.95 6.72 0.11 0.41 -1.08 -1.16 -4.41 116.67 116.29 1rrx s ASP 82 Ca 0.17 -2.21 -0.19 0.00 -0.52 0.00 0.00 52.55 49.81 1rrx s ASP 82 Cb 0.10 -2.41 -0.06 0.00 -1.46 0.00 0.00 42.92 39.09 1rrx s ASP 82 CO 0.15 -1.03 1.66 0.15 0.52 0.00 0.00 175.17 176.61 1rrx h PHE 83 N 8.52 0.40 -0.28 -5.34 3.57 -1.90 -3.17 116.94 118.75 1rrx h PHE 83 Ca 0.20 -0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.74 1rrx h PHE 83 Cb 0.99 -0.12 -0.07 0.00 2.79 0.00 0.00 35.95 39.54 1rrx h PHE 83 CO 1.17 0.40 -0.21 0.74 -2.23 0.00 0.00 178.31 178.18 1rrx h PHE 84 N 0.28 -0.55 0.00 0.41 0.04 -1.89 -1.69 116.94 113.55 1rrx h PHE 84 Ca 0.09 0.04 -0.11 0.00 2.80 0.00 0.00 57.97 60.78 1rrx h PHE 84 Cb 0.17 0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.58 1rrx h PHE 84 CO -0.01 -0.29 -0.54 0.87 -0.60 0.00 0.00 178.31 177.74 1rrx h LYS 85 N -0.19 0.00 0.00 1.51 1.57 -1.85 -3.21 116.57 114.39 1rrx h LYS 85 Ca 0.15 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1rrx h LYS 85 Cb 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 1rrx h LYS 85 CO -0.39 0.54 -0.14 0.66 -0.57 0.00 0.00 179.45 179.55 1rrx h SER 86 N 0.00 0.00 0.24 0.86 4.64 -1.28 -1.60 113.55 116.41 1rrx h SER 86 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1rrx h SER 86 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1rrx h SER 86 CO 0.07 0.14 -0.02 0.00 -0.87 0.00 0.00 176.83 176.15 1rrx n ALA 87 N -2.49 2.63 -2.27 5.18 0.00 -1.08 -4.51 120.51 117.98 1rrx n ALA 87 Ca -0.03 -0.21 -0.28 0.00 0.00 0.00 0.00 53.44 52.92 1rrx n ALA 87 Cb 0.21 -1.46 -0.01 0.00 0.00 0.00 0.00 19.45 18.19 1rrx n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1rrx s MET 88 N -2.26 3.62 0.00 0.00 1.00 -0.61 -0.72 119.30 120.33 1rrx s MET 88 Ca 0.38 0.25 0.29 0.00 0.00 0.00 0.00 55.69 56.61 1rrx s MET 88 Cb 0.21 -2.41 1.21 0.00 0.00 0.00 0.00 34.83 33.84 1rrx s MET 88 CO 0.41 -0.12 1.88 -0.35 0.00 0.00 0.00 175.02 176.85 1rrx n PRO 89 N -1.87 0.23 0.28 2.03 -0.04 -1.26 -3.61 135.00 130.76 1rrx n PRO 89 Ca 0.01 -0.04 0.14 0.00 -0.04 0.00 0.00 63.50 63.57 1rrx n PRO 89 Cb 0.55 -1.50 0.83 0.00 -0.04 0.00 0.00 33.50 33.33 1rrx n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1rrx h GLU 90 N 0.10 0.00 0.00 0.54 3.07 -1.92 -2.82 114.58 113.55 1rrx h GLU 90 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1rrx h GLU 90 Cb 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1rrx h GLU 90 CO 0.00 0.07 0.00 0.41 -1.40 0.00 0.00 179.01 178.09 1rrx n GLY 91 N -0.90 -0.23 3.20 -3.84 0.00 0.10 -4.60 105.19 98.92 1rrx n GLY 91 Ca -0.02 -1.34 -0.27 0.00 0.00 0.00 0.00 46.02 44.39 1rrx n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rrx s VAL 93 N 0.00 1.60 -0.11 1.61 1.01 0.10 -0.84 120.40 123.77 1rrx s VAL 93 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1rrx s VAL 93 Cb 0.00 -1.34 0.02 0.00 0.00 0.00 0.00 36.38 35.06 1rrx s VAL 93 CO 0.00 0.45 -0.09 -1.58 0.00 0.00 0.00 175.10 173.88 1rrx s GLN 94 N -0.33 1.64 0.14 2.72 0.74 0.62 -1.75 119.66 123.43 1rrx s GLN 94 Ca 0.04 -0.32 0.11 0.00 0.05 0.00 0.00 55.36 55.24 1rrx s GLN 94 Cb -0.09 -1.59 -0.04 0.00 1.10 0.00 0.00 33.01 32.39 1rrx s GLN 94 CO 0.00 -0.19 -0.26 -1.21 -0.55 0.00 0.00 175.29 173.08 1rrx s GLU 95 N 1.44 1.41 0.15 1.67 2.02 0.18 -0.72 118.70 124.85 1rrx s GLU 95 Ca 0.00 -1.37 -0.14 0.00 0.02 0.00 0.00 54.97 53.48 1rrx s GLU 95 Cb -0.13 -1.85 0.02 0.00 0.10 0.00 0.00 34.13 32.26 1rrx s GLU 95 CO -0.06 0.43 0.39 1.03 0.02 0.00 0.00 175.26 177.07 1rrx s ARG 96 N -2.18 1.15 -0.05 1.61 0.52 -0.90 -0.25 118.95 118.85 1rrx s ARG 96 Ca 0.15 -0.86 0.02 0.00 -0.52 0.00 0.00 55.73 54.52 1rrx s ARG 96 Cb -0.10 0.45 0.01 0.00 0.52 0.00 0.00 34.95 35.84 1rrx s ARG 96 CO 0.07 -0.45 -0.10 0.99 0.02 0.00 0.00 175.30 175.82 1rrx s THR 97 N -3.86 0.97 -0.25 0.02 2.01 -1.26 -1.66 115.64 111.61 1rrx s THR 97 Ca 0.07 -0.40 0.02 0.00 0.31 0.00 0.00 61.69 61.69 1rrx s THR 97 Cb 0.02 -0.89 0.05 0.00 0.01 0.00 0.00 72.50 71.69 1rrx s THR 97 CO -0.07 0.31 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.43 1rrx s ILE 98 N 0.59 2.26 -0.43 1.82 1.01 -1.26 -4.41 121.20 120.77 1rrx s ILE 98 Ca -0.11 -1.46 -0.21 0.00 0.00 0.00 0.00 60.65 58.87 1rrx s ILE 98 Cb -0.14 -2.25 0.02 0.00 0.01 0.00 0.00 42.46 40.10 1rrx s ILE 98 CO 0.02 0.08 0.65 -0.36 0.00 0.00 0.00 174.94 175.33 1rrx s PHE 99 N 1.16 3.07 -0.30 3.97 0.40 0.18 -4.32 117.98 122.13 1rrx s PHE 99 Ca -0.06 -0.02 -0.26 0.00 -0.60 0.00 0.00 56.93 55.99 1rrx s PHE 99 Cb -0.19 -3.35 0.01 0.00 0.51 0.00 0.00 43.02 40.00 1rrx s PHE 99 CO -0.06 -0.86 0.94 -0.06 0.70 0.00 0.00 175.22 175.88 1rrx s PHE 100 N 2.84 3.20 0.23 0.36 0.40 -0.61 -0.59 117.98 123.81 1rrx s PHE 100 Ca 0.23 1.07 -0.32 0.00 -0.60 0.00 0.00 56.93 57.31 1rrx s PHE 100 Cb -0.14 -3.41 -0.13 0.00 0.51 0.00 0.00 43.02 39.85 1rrx s PHE 100 CO 0.19 -0.63 1.55 1.17 0.70 0.00 0.00 175.22 178.20 1rrx n LYS 101 N 6.48 2.35 -2.08 0.44 4.81 -0.23 -1.73 118.16 128.20 1rrx n LYS 101 Ca 0.08 0.84 -0.18 0.00 -0.87 0.00 0.00 58.31 58.18 1rrx n LYS 101 Cb 0.47 -2.59 -0.03 0.00 0.02 0.00 0.00 35.03 32.90 1rrx n LYS 101 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1rrx n ASP 102 N 2.77 -5.25 0.00 3.14 8.00 -1.26 -4.82 116.55 119.13 1rrx n ASP 102 Ca 0.13 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.76 1rrx n ASP 102 Cb 0.33 -4.33 0.00 0.00 -0.02 0.00 0.00 41.12 37.10 1rrx n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1rrx n ASP 103 N -1.30 0.00 -2.03 -2.24 -0.08 -0.70 -4.93 116.55 105.27 1rrx n ASP 103 Ca -0.20 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.07 1rrx n ASP 103 Cb 0.64 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.11 1rrx n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1rrx n GLY 104 N 0.00 -1.04 0.00 0.27 0.00 -1.12 -4.63 105.19 98.67 1rrx n GLY 104 Ca 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1rrx n GLY 104 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1rrx n ASN 105 N -3.01 0.09 -3.63 1.61 0.23 -0.89 -1.58 115.26 108.08 1rrx n ASN 105 Ca 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 54.58 54.06 1rrx n ASN 105 Cb 0.01 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.65 1rrx n ASN 105 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1rrx s LYS 107 N 1.74 0.17 0.09 -3.83 1.02 0.34 -1.99 119.74 117.28 1rrx s LYS 107 Ca 0.00 0.30 0.06 0.00 0.02 0.00 0.00 55.97 56.35 1rrx s LYS 107 Cb 0.00 0.04 -0.03 0.00 -0.52 0.00 0.00 37.83 37.32 1rrx s LYS 107 CO 0.00 -0.04 -0.14 0.95 -0.92 0.00 0.00 175.35 175.20 1rrx s THR 108 N 1.21 1.23 -0.03 2.17 -4.23 -0.66 -0.81 115.64 114.52 1rrx s THR 108 Ca -0.08 -1.50 -0.01 0.00 -1.18 0.00 0.00 61.69 58.92 1rrx s THR 108 Cb -0.03 -1.30 0.03 0.00 1.34 0.00 0.00 72.50 72.54 1rrx s THR 108 CO -0.12 -0.30 0.04 -0.60 -0.54 0.00 0.00 174.62 173.10 1rrx s ARG 109 N -2.16 -0.04 0.08 3.99 3.52 -0.26 -2.11 118.95 121.98 1rrx s ARG 109 Ca 0.03 0.26 -0.02 0.00 -0.13 0.00 0.00 55.73 55.88 1rrx s ARG 109 Cb -0.08 -0.37 -0.04 0.00 -1.56 0.00 0.00 34.95 32.91 1rrx s ARG 109 CO 0.03 -0.24 0.02 0.00 -0.81 0.00 0.00 175.30 174.30 1rrx s ALA 110 N 1.53 0.58 -0.08 6.12 0.00 0.11 -1.09 121.76 128.93 1rrx s ALA 110 Ca -0.03 -1.26 0.01 0.00 0.00 0.00 0.00 51.96 50.67 1rrx s ALA 110 Cb -0.13 0.52 0.02 0.00 0.00 0.00 0.00 23.12 23.53 1rrx s ALA 110 CO -0.03 -0.43 -0.09 -1.21 0.00 0.00 0.00 175.76 174.00 1rrx s GLU 111 N -3.96 1.45 -0.10 0.00 2.02 -0.28 -0.28 118.70 117.55 1rrx s GLU 111 Ca 0.13 -0.28 0.03 0.00 0.02 0.00 0.00 54.97 54.87 1rrx s GLU 111 Cb 0.07 -1.36 0.01 0.00 0.10 0.00 0.00 34.13 32.95 1rrx s GLU 111 CO -0.05 -0.11 -0.21 0.14 0.02 0.00 0.00 175.26 175.05 1rrx s VAL 112 N 1.13 1.84 0.19 2.63 -7.23 -1.26 -1.39 120.40 116.31 1rrx s VAL 112 Ca -0.06 -0.88 -0.24 0.00 -1.81 0.00 0.00 61.98 58.99 1rrx s VAL 112 Cb -0.14 -1.62 0.05 0.00 0.56 0.00 0.00 36.38 35.23 1rrx s VAL 112 CO -0.01 0.51 0.87 -1.59 -0.31 0.00 0.00 175.10 174.56 1rrx s LYS 113 N 0.55 1.37 0.30 4.82 -2.85 -0.55 -4.25 119.74 119.13 1rrx s LYS 113 Ca -0.15 -0.74 -0.20 0.00 -1.00 0.00 0.00 55.97 53.88 1rrx s LYS 113 Cb -0.17 0.48 -0.09 0.00 -2.06 0.00 0.00 37.83 35.99 1rrx s LYS 113 CO 0.05 -0.63 0.80 -0.06 0.10 0.00 0.00 175.35 175.61 1rrx s PHE 114 N -3.50 3.54 -0.32 1.78 0.08 -1.07 -0.91 117.98 117.58 1rrx s PHE 114 Ca 0.11 1.45 -0.00 0.00 0.12 0.00 0.00 56.93 58.61 1rrx s PHE 114 Cb -0.03 -2.69 0.10 0.00 -0.57 0.00 0.00 43.02 39.84 1rrx s PHE 114 CO 0.03 0.19 0.11 -1.21 -0.10 0.00 0.00 175.22 174.24 1rrx s GLU 115 N -2.42 0.78 5.96 0.44 0.41 0.13 -4.92 118.70 119.07 1rrx s GLU 115 Ca 0.50 -1.18 0.00 0.00 -0.41 0.00 0.00 54.97 53.87 1rrx s GLU 115 Cb -0.14 -2.03 0.00 0.00 -1.78 0.00 0.00 34.13 30.18 1rrx s GLU 115 CO 0.19 -1.01 0.00 0.41 -0.49 0.00 0.00 175.26 174.37 1rrx n GLY 116 N 4.69 1.78 1.33 -1.39 0.00 -1.26 -1.96 105.19 108.38 1rrx n GLY 116 Ca -0.01 -0.53 0.08 0.00 0.00 0.00 0.00 46.02 45.56 1rrx n GLY 116 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rrx n ASP 117 N 4.23 3.91 -4.61 1.61 5.68 -1.26 -4.90 116.55 121.22 1rrx n ASP 117 Ca 0.00 -2.35 -0.35 0.00 -0.50 0.00 0.00 54.79 51.59 1rrx n ASP 117 Cb 0.00 -0.51 -0.10 0.00 -1.14 0.00 0.00 41.12 39.36 1rrx n ASP 117 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1rrx s THR 118 N -1.77 4.81 -0.24 2.12 2.01 -0.83 -4.23 115.64 117.51 1rrx s THR 118 Ca 0.41 -0.02 -0.25 0.00 0.31 0.00 0.00 61.69 62.14 1rrx s THR 118 Cb 0.26 -3.20 -0.00 0.00 0.01 0.00 0.00 72.50 69.58 1rrx s THR 118 CO 0.20 0.42 0.87 -0.22 -0.69 0.00 0.00 174.62 175.20 1rrx s LEU 119 N 0.71 4.08 -0.08 4.42 1.98 -0.28 -0.69 118.68 128.82 1rrx s LEU 119 Ca 0.04 1.10 0.01 0.00 -2.89 0.00 0.00 54.13 52.40 1rrx s LEU 119 Cb -0.13 -3.26 -0.03 0.00 0.66 0.00 0.00 46.19 43.43 1rrx s LEU 119 CO 0.02 -0.55 -0.11 -0.69 -1.89 0.00 0.00 176.35 173.13 1rrx s VAL 120 N 2.92 3.36 -0.29 1.68 1.01 -0.09 -1.53 120.40 127.46 1rrx s VAL 120 Ca 0.37 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.78 1rrx s VAL 120 Cb -0.15 -2.37 0.07 0.00 0.00 0.00 0.00 36.38 33.94 1rrx s VAL 120 CO 0.07 0.57 -0.05 0.21 0.00 0.00 0.00 175.10 175.90 1rrx s ASN 121 N -0.47 4.51 -0.26 3.32 2.47 -0.67 -1.48 114.94 122.37 1rrx s ASN 121 Ca 0.06 -1.64 -0.09 0.00 0.42 0.00 0.00 52.86 51.61 1rrx s ASN 121 Cb -0.12 -1.54 -0.04 0.00 -1.45 0.00 0.00 41.25 38.09 1rrx s ASN 121 CO 0.02 -0.26 0.14 -0.13 -3.72 0.00 0.00 177.10 173.15 1rrx s ARG 122 N 1.06 3.88 0.02 0.43 0.52 -0.49 -1.26 118.95 123.11 1rrx s ARG 122 Ca -0.02 -0.36 0.07 0.00 -0.52 0.00 0.00 55.73 54.90 1rrx s ARG 122 Cb -0.20 -3.50 -0.02 0.00 0.52 0.00 0.00 34.95 31.75 1rrx s ARG 122 CO -0.06 -0.11 -0.20 0.42 0.02 0.00 0.00 175.30 175.36 1rrx s ILE 123 N 1.50 1.62 -0.12 1.52 1.01 0.32 -1.13 121.20 125.92 1rrx s ILE 123 Ca 0.07 -1.05 0.02 0.00 0.00 0.00 0.00 60.65 59.69 1rrx s ILE 123 Cb -0.15 -1.38 0.01 0.00 0.01 0.00 0.00 42.46 40.95 1rrx s ILE 123 CO 0.07 0.30 -0.19 -1.61 0.00 0.00 0.00 174.94 173.51 1rrx s GLU 124 N -0.89 2.66 -0.06 2.79 2.02 -0.25 -1.38 118.70 123.59 1rrx s GLU 124 Ca 0.07 -0.72 0.03 0.00 0.02 0.00 0.00 54.97 54.37 1rrx s GLU 124 Cb -0.08 -2.17 0.00 0.00 0.10 0.00 0.00 34.13 31.98 1rrx s GLU 124 CO 0.01 -0.02 -0.15 -1.17 0.02 0.00 0.00 175.26 173.95 1rrx s LEU 125 N 0.84 1.81 -0.07 1.80 0.20 -0.38 -1.10 118.68 121.78 1rrx s LEU 125 Ca -0.08 -0.35 0.02 0.00 0.69 0.00 0.00 54.13 54.42 1rrx s LEU 125 Cb -0.15 -0.94 0.01 0.00 -0.43 0.00 0.00 46.19 44.67 1rrx s LEU 125 CO -0.01 0.10 -0.14 -0.75 -0.29 0.00 0.00 176.35 175.26 1rrx s LYS 126 N 0.36 1.93 -0.07 1.98 2.47 0.01 -1.90 119.74 124.53 1rrx s LYS 126 Ca -0.10 -0.49 0.04 0.00 -1.56 0.00 0.00 55.97 53.86 1rrx s LYS 126 Cb -0.14 -1.57 0.00 0.00 -1.46 0.00 0.00 37.83 34.66 1rrx s LYS 126 CO 0.04 0.04 -0.18 0.20 0.16 0.00 0.00 175.35 175.60 1rrx s GLY 127 N 0.67 1.04 0.13 5.54 0.00 0.83 -0.50 107.32 115.02 1rrx s GLY 127 Ca -0.14 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 43.85 1rrx s GLY 127 CO 0.04 -0.25 0.01 -0.26 0.00 0.00 0.00 173.10 172.63 1rrx s ILE 128 N 0.26 0.41 -1.85 0.90 -4.36 -0.84 -0.78 121.20 114.94 1rrx s ILE 128 Ca -0.11 -1.93 0.00 0.00 -0.26 0.00 0.00 60.65 58.36 1rrx s ILE 128 Cb -0.15 -1.96 0.00 0.00 1.25 0.00 0.00 42.46 41.60 1rrx s ILE 128 CO 0.05 -0.59 0.00 0.47 0.24 0.00 0.00 174.94 175.11 1rrx n ASP 129 N -0.12 -5.84 -4.80 4.36 8.00 -1.26 -2.09 116.55 114.80 1rrx n ASP 129 Ca -0.08 0.07 -0.35 0.00 0.71 0.00 0.00 54.79 55.14 1rrx n ASP 129 Cb 0.63 -4.90 -0.07 0.00 -0.02 0.00 0.00 41.12 36.76 1rrx n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1rrx s PHE 130 N -2.99 3.55 0.02 1.24 0.40 -1.26 -2.81 117.98 116.13 1rrx s PHE 130 Ca 0.00 1.62 -0.30 0.00 -0.60 0.00 0.00 56.93 57.64 1rrx s PHE 130 Cb 0.00 -2.82 -0.04 0.00 0.51 0.00 0.00 43.02 40.68 1rrx s PHE 130 CO 0.00 0.13 1.04 0.15 0.70 0.00 0.00 175.22 177.24 1rrx s LYS 131 N -2.44 4.53 0.61 0.44 1.02 -1.26 -4.88 119.74 117.76 1rrx s LYS 131 Ca 0.53 1.51 0.33 0.00 0.02 0.00 0.00 55.97 58.36 1rrx s LYS 131 Cb -0.15 -3.43 1.91 0.00 -0.52 0.00 0.00 37.83 35.64 1rrx s LYS 131 CO 0.20 -0.10 2.22 1.05 -0.92 0.00 0.00 175.35 177.80 1rrx h GLU 132 N 6.77 0.00 -0.01 1.68 4.11 -1.96 -1.57 114.58 123.60 1rrx h GLU 132 Ca -0.41 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.02 1rrx h GLU 132 Cb 1.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 1rrx h GLU 132 CO 0.76 0.00 -0.16 -0.40 0.07 0.00 0.00 179.01 179.29 1rrx n ASP 133 N -3.59 2.20 -2.28 3.06 3.85 -1.26 -4.12 116.55 114.40 1rrx n ASP 133 Ca -0.02 -3.35 -0.04 0.00 -0.71 0.00 0.00 54.79 50.67 1rrx n ASP 133 Cb 0.17 -0.47 0.03 0.00 -1.35 0.00 0.00 41.12 39.50 1rrx n ASP 133 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1rrx n GLY 134 N -1.31 -0.78 0.22 6.12 0.00 -0.59 -4.69 105.19 104.17 1rrx n GLY 134 Ca 0.17 -1.74 0.03 0.00 0.00 0.00 0.00 46.02 44.49 1rrx n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1rrx h ASN 135 N -0.21 0.10 0.00 1.61 2.35 -1.92 0.72 115.58 118.23 1rrx h ASN 135 Ca -0.06 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1rrx h ASN 135 Cb 0.16 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1rrx h ASN 135 CO 0.04 0.31 -0.01 0.40 -1.65 0.00 0.00 177.43 176.52 1rrx h ILE 136 N 0.10 0.00 0.00 2.81 5.03 -1.93 -0.73 117.51 122.79 1rrx h ILE 136 Ca 0.02 -0.08 -0.01 0.00 -0.12 0.00 0.00 64.86 64.67 1rrx h ILE 136 Cb 0.42 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.21 1rrx h ILE 136 CO 0.03 0.00 -0.04 -0.07 -0.68 0.00 0.00 178.15 177.39 1rrx h LEU 137 N -0.08 0.00 -0.69 1.44 3.38 -1.76 -1.76 115.31 115.84 1rrx h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rrx h LEU 137 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1rrx h LEU 137 CO 0.00 0.04 -0.04 0.61 0.09 0.00 0.00 178.44 179.14 1rrx n GLY 138 N -0.33 -0.32 3.66 0.83 0.00 0.24 -4.88 105.19 104.39 1rrx n GLY 138 Ca -0.01 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.39 1rrx n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1rrx n HIS 139 N -0.22 -1.96 -0.31 1.61 8.25 -0.66 -4.93 115.22 117.01 1rrx n HIS 139 Ca 0.18 0.72 0.08 0.00 -0.26 0.00 0.00 57.72 58.45 1rrx n HIS 139 Cb 0.31 -4.03 0.23 0.00 1.12 0.00 0.00 29.99 27.62 1rrx n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1rrx n LYS 140 N -4.12 2.88 -3.52 -0.41 5.02 -0.29 -4.97 118.16 112.74 1rrx n LYS 140 Ca -0.21 -2.35 -0.37 0.00 -2.02 0.00 0.00 58.31 53.35 1rrx n LYS 140 Cb 0.65 -1.44 -0.07 0.00 -0.02 0.00 0.00 35.03 34.15 1rrx n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1rrx s LEU 141 N -1.13 4.31 0.00 -0.35 1.43 -1.25 -0.62 118.68 121.07 1rrx s LEU 141 Ca 0.35 0.64 0.00 0.00 -1.03 0.00 0.00 54.13 54.09 1rrx s LEU 141 Cb 0.19 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.97 1rrx s LEU 141 CO 0.22 0.15 0.00 -0.62 0.23 0.00 0.00 176.35 176.34 1rrx n GLU 142 N 3.11 0.00 0.00 1.70 1.02 0.20 -4.84 120.64 121.84 1rrx n GLU 142 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 1rrx n GLU 142 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.94 1rrx n GLU 142 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1rrx n ASN 144 N 0.00 0.00 -4.24 1.62 0.23 -1.26 -4.80 115.26 106.81 1rrx n ASN 144 Ca 0.00 0.00 -0.23 0.00 -0.53 0.00 0.00 54.58 53.82 1rrx n ASN 144 Cb 0.00 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 37.61 1rrx n ASN 144 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1rrx s ASN 146 N -4.00 2.35 -0.10 0.53 0.01 -1.26 -4.87 114.94 107.60 1rrx s ASN 146 Ca 0.00 -1.53 -0.09 0.00 -0.71 0.00 0.00 52.86 50.53 1rrx s ASN 146 Cb 0.00 0.27 -0.04 0.00 0.41 0.00 0.00 41.25 41.88 1rrx s ASN 146 CO 0.00 -0.80 0.19 -0.44 -1.51 0.00 0.00 177.10 174.54 1rrx s SER 147 N -3.51 6.45 0.32 -1.22 0.01 -1.26 -4.33 113.70 110.16 1rrx s SER 147 Ca 0.31 0.54 0.04 0.00 1.31 0.00 0.00 55.95 58.15 1rrx s SER 147 Cb 0.05 -2.10 -0.03 0.00 0.21 0.00 0.00 66.02 64.15 1rrx s SER 147 CO 0.15 0.38 0.19 -1.00 0.41 0.00 0.00 173.24 173.37 1rrx s HIS 148 N -0.95 1.65 -0.13 2.43 0.09 -1.09 -4.95 115.29 112.34 1rrx s HIS 148 Ca 0.16 -1.45 0.01 0.00 -0.00 0.00 0.00 55.06 53.78 1rrx s HIS 148 Cb -0.13 -0.84 0.02 0.00 -0.00 0.00 0.00 32.58 31.63 1rrx s HIS 148 CO 0.05 -0.61 -0.16 -0.80 -0.00 0.00 0.00 174.74 173.23 1rrx s ASN 149 N -3.40 2.63 0.06 1.40 0.02 -1.26 -0.62 114.94 113.78 1rrx s ASN 149 Ca 0.36 -0.48 0.01 0.00 -1.02 0.00 0.00 52.86 51.73 1rrx s ASN 149 Cb 0.04 -1.18 0.01 0.00 0.02 0.00 0.00 41.25 40.14 1rrx s ASN 149 CO 0.20 -0.00 0.07 0.52 0.02 0.00 0.00 177.10 177.91 1rrx n VAL 150 N 4.39 0.00 0.00 1.60 0.31 0.33 -4.62 118.33 120.34 1rrx n VAL 150 Ca -0.18 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1rrx n VAL 150 Cb 0.51 -0.77 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 1rrx n VAL 150 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1rrx n ILE 152 N -0.96 0.00 -4.08 2.52 5.41 -0.21 -0.24 119.36 121.79 1rrx n ILE 152 Ca 0.01 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.65 1rrx n ILE 152 Cb 0.07 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 38.89 1rrx n ILE 152 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 1rrx s MET 153 N -0.49 0.59 0.48 0.38 -1.94 -0.34 -2.47 119.30 115.52 1rrx s MET 153 Ca 0.00 -0.95 -0.21 0.00 -1.71 0.00 0.00 55.69 52.82 1rrx s MET 153 Cb 0.00 -0.16 -0.08 0.00 2.01 0.00 0.00 34.83 36.60 1rrx s MET 153 CO 0.00 0.00 1.06 0.00 -0.01 0.00 0.00 175.02 176.07 1rrx s ALA 154 N -2.30 2.90 -0.53 3.03 0.00 -1.24 -0.64 121.76 122.97 1rrx s ALA 154 Ca -0.03 0.67 0.05 0.00 0.00 0.00 0.00 51.96 52.65 1rrx s ALA 154 Cb -0.04 -3.28 0.18 0.00 0.00 0.00 0.00 23.12 19.98 1rrx s ALA 154 CO -0.02 -0.37 0.43 -3.47 0.00 0.00 0.00 175.76 172.33 1rrx n ASP 155 N -0.81 1.06 -0.13 0.00 -0.08 0.33 -4.59 116.55 112.32 1rrx n ASP 155 Ca 0.09 -2.75 0.08 0.00 -1.51 0.00 0.00 54.79 50.70 1rrx n ASP 155 Cb 0.52 -0.64 0.42 0.00 2.34 0.00 0.00 41.12 43.75 1rrx n ASP 155 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1rrx h LYS 156 N 5.38 0.59 -0.27 -0.67 1.57 -1.95 0.19 116.57 121.41 1rrx h LYS 156 Ca 0.21 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1rrx h LYS 156 Cb 0.84 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1rrx h LYS 156 CO 0.53 0.39 0.11 0.37 -0.57 0.00 0.00 179.45 180.28 1rrx h GLN 157 N 0.60 0.37 -0.02 3.15 4.15 -1.94 -0.44 115.11 120.99 1rrx h GLN 157 Ca 0.29 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.67 1rrx h GLN 157 Cb 0.35 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.96 1rrx h GLN 157 CO -0.09 0.31 -0.43 1.63 -1.93 0.00 0.00 178.83 178.32 1rrx n LYS 158 N -4.43 1.21 -3.57 1.69 4.76 -0.63 -4.97 118.16 112.23 1rrx n LYS 158 Ca 0.01 -0.98 -0.20 0.00 -2.87 0.00 0.00 58.31 54.28 1rrx n LYS 158 Cb 0.12 -1.48 0.06 0.00 -1.84 0.00 0.00 35.03 31.90 1rrx n LYS 158 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1rrx n ASN 159 N -0.04 -1.97 0.00 4.39 5.15 0.58 -4.83 115.26 118.55 1rrx n ASN 159 Ca 0.10 -0.70 0.00 0.00 -0.60 0.00 0.00 54.58 53.37 1rrx n ASN 159 Cb 0.46 -4.64 0.00 0.00 -0.53 0.00 0.00 39.78 35.07 1rrx n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1rrx n GLY 160 N -1.37 3.56 3.03 8.20 0.00 -0.62 -4.30 105.19 113.69 1rrx n GLY 160 Ca -0.27 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 1rrx n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1rrx s ILE 161 N -0.58 0.13 -0.02 -0.61 -4.36 -0.95 -0.52 121.20 114.29 1rrx s ILE 161 Ca 0.00 -1.08 0.02 0.00 -0.26 0.00 0.00 60.65 59.32 1rrx s ILE 161 Cb 0.00 -0.61 -0.03 0.00 1.25 0.00 0.00 42.46 43.07 1rrx s ILE 161 CO 0.00 -0.60 -0.04 -0.54 0.24 0.00 0.00 174.94 174.00 1rrx s LYS 162 N -2.08 2.71 -0.01 0.37 1.02 0.18 -2.37 119.74 119.56 1rrx s LYS 162 Ca -0.10 -0.62 0.02 0.00 0.02 0.00 0.00 55.97 55.29 1rrx s LYS 162 Cb -0.05 -2.60 -0.00 0.00 -0.52 0.00 0.00 37.83 34.65 1rrx s LYS 162 CO -0.03 0.63 -0.06 0.08 -0.92 0.00 0.00 175.35 175.05 1rrx s VAL 163 N -0.97 0.47 0.00 3.17 1.01 0.41 -1.19 120.40 123.30 1rrx s VAL 163 Ca 0.16 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 1rrx s VAL 163 Cb -0.11 -0.40 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 1rrx s VAL 163 CO 0.06 0.14 0.02 0.20 0.00 0.00 0.00 175.10 175.52 1rrx s ASN 164 N -0.11 0.09 -0.01 3.32 0.01 -1.26 -0.74 114.94 116.24 1rrx s ASN 164 Ca 0.02 -0.20 -0.30 0.00 -0.71 0.00 0.00 52.86 51.66 1rrx s ASN 164 Cb -0.03 0.11 0.11 0.00 0.41 0.00 0.00 41.25 41.85 1rrx s ASN 164 CO -0.00 -0.18 1.19 0.72 -1.51 0.00 0.00 177.10 177.31 1rrx s PHE 165 N -0.79 -0.09 -0.14 2.20 -0.71 -1.16 -4.66 117.98 112.62 1rrx s PHE 165 Ca -0.09 -0.04 0.02 0.00 -1.04 0.00 0.00 56.93 55.78 1rrx s PHE 165 Cb -0.05 0.56 0.00 0.00 -1.21 0.00 0.00 43.02 42.32 1rrx s PHE 165 CO -0.00 -0.39 -0.20 0.15 -1.34 0.00 0.00 175.22 173.44 1rrx s LYS 166 N -2.63 3.10 -0.13 1.99 1.02 -1.26 -1.55 119.74 120.27 1rrx s LYS 166 Ca 0.12 -0.82 -0.07 0.00 0.02 0.00 0.00 55.97 55.23 1rrx s LYS 166 Cb 0.02 -2.48 -0.04 0.00 -0.52 0.00 0.00 37.83 34.81 1rrx s LYS 166 CO -0.03 0.03 0.10 0.42 -0.92 0.00 0.00 175.35 174.96 1rrx s ILE 167 N 0.72 5.19 -0.25 2.17 -1.09 -0.51 -4.87 121.20 122.56 1rrx s ILE 167 Ca -0.09 0.09 -0.02 0.00 -2.23 0.00 0.00 60.65 58.41 1rrx s ILE 167 Cb -0.16 -3.27 0.02 0.00 -1.58 0.00 0.00 42.46 37.47 1rrx s ILE 167 CO 0.01 0.57 -0.05 -0.13 -1.23 0.00 0.00 174.94 174.11 1rrx s ARG 168 N -0.63 2.90 -0.14 2.79 0.52 -1.26 -0.47 118.95 122.65 1rrx s ARG 168 Ca 0.12 -0.94 -0.15 0.00 -0.52 0.00 0.00 55.73 54.24 1rrx s ARG 168 Cb -0.12 -3.00 -0.05 0.00 0.52 0.00 0.00 34.95 32.30 1rrx s ARG 168 CO 0.02 -0.38 0.35 -1.01 0.02 0.00 0.00 175.30 174.30 1rrx s HIS 169 N 1.35 3.49 0.11 -0.53 3.76 0.09 -4.59 115.29 118.97 1rrx s HIS 169 Ca 0.01 0.70 -0.30 0.00 -0.15 0.00 0.00 55.06 55.31 1rrx s HIS 169 Cb -0.16 -2.39 -0.07 0.00 1.11 0.00 0.00 32.58 31.07 1rrx s HIS 169 CO -0.04 0.24 1.23 -0.80 -0.85 0.00 0.00 174.74 174.52 1rrx s ASN 170 N 0.42 7.05 0.10 1.40 0.02 -1.26 -0.13 114.94 122.54 1rrx s ASN 170 Ca 0.20 2.13 -0.06 0.00 -1.02 0.00 0.00 52.86 54.11 1rrx s ASN 170 Cb -0.14 -2.59 -0.05 0.00 0.02 0.00 0.00 41.25 38.49 1rrx s ASN 170 CO 0.06 -0.46 0.35 -0.63 0.02 0.00 0.00 177.10 176.44 1rrx s ILE 171 N 0.72 5.19 -0.57 0.60 1.01 -0.52 -0.62 121.20 127.00 1rrx s ILE 171 Ca 0.58 0.10 0.15 0.00 0.00 0.00 0.00 60.65 61.48 1rrx s ILE 171 Cb -0.31 -3.62 0.15 0.00 0.01 0.00 0.00 42.46 38.68 1rrx s ILE 171 CO 0.32 0.14 1.45 -1.84 0.00 0.00 0.00 174.94 175.01 1rrx n GLU 172 N 0.42 0.09 -0.43 2.79 0.28 0.21 -1.25 120.64 122.75 1rrx n GLU 172 Ca -0.05 0.52 0.08 0.00 -0.16 0.00 0.00 57.16 57.54 1rrx n GLU 172 Cb 0.52 -1.76 0.27 0.00 1.43 0.00 0.00 31.44 31.90 1rrx n GLU 172 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1rrx n ASP 173 N -1.95 3.60 0.00 -1.84 5.75 -1.26 -4.91 116.55 115.94 1rrx n ASP 173 Ca 0.00 -2.26 0.00 0.00 -0.01 0.00 0.00 54.79 52.52 1rrx n ASP 173 Cb 0.07 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 1rrx n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rrx n GLY 174 N 1.06 1.77 0.00 6.12 0.00 -0.38 -5.04 105.19 108.72 1rrx n GLY 174 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1rrx n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1rrx n SER 175 N 0.00 0.00 -3.91 1.61 2.88 -1.24 -4.80 113.62 108.16 1rrx n SER 175 Ca 0.00 -0.66 -0.14 0.00 -1.33 0.00 0.00 58.87 56.74 1rrx n SER 175 Cb 0.00 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.32 1rrx n SER 175 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1rrx s VAL 176 N -0.60 0.21 -0.38 2.46 1.01 -1.26 -1.43 120.40 120.40 1rrx s VAL 176 Ca 0.00 -0.11 -0.10 0.00 0.00 0.00 0.00 61.98 61.77 1rrx s VAL 176 Cb 0.00 -0.18 0.04 0.00 0.00 0.00 0.00 36.38 36.24 1rrx s VAL 176 CO 0.00 0.06 0.20 -1.58 0.00 0.00 0.00 175.10 173.78 1rrx s GLN 177 N -0.05 2.74 0.19 2.72 2.00 0.82 -4.91 119.66 123.18 1rrx s GLN 177 Ca 0.01 -1.17 -0.30 0.00 -2.00 0.00 0.00 55.36 51.90 1rrx s GLN 177 Cb -0.01 -3.70 -0.08 0.00 0.80 0.00 0.00 33.01 30.02 1rrx s GLN 177 CO -0.00 -0.74 0.97 -1.17 -0.50 0.00 0.00 175.29 173.85 1rrx s LEU 178 N 1.50 4.57 -0.33 3.68 0.20 -1.26 -0.73 118.68 126.31 1rrx s LEU 178 Ca 0.01 1.93 0.00 0.00 0.69 0.00 0.00 54.13 56.76 1rrx s LEU 178 Cb -0.20 -3.60 0.11 0.00 -0.43 0.00 0.00 46.19 42.06 1rrx s LEU 178 CO 0.05 0.02 0.12 0.00 -0.29 0.00 0.00 176.35 176.25 1rrx s ALA 179 N -0.64 1.75 -0.20 5.97 0.00 0.38 -1.07 121.76 127.96 1rrx s ALA 179 Ca 0.44 -1.91 -0.29 0.00 0.00 0.00 0.00 51.96 50.21 1rrx s ALA 179 Cb -0.26 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.17 1rrx s ALA 179 CO 0.32 -1.74 1.10 -0.51 0.00 0.00 0.00 175.76 174.93 1rrx s ASP 180 N 1.34 7.07 0.49 0.00 1.01 0.25 -1.43 116.67 125.40 1rrx s ASP 180 Ca 0.11 1.48 0.06 0.00 0.71 0.00 0.00 52.55 54.91 1rrx s ASP 180 Cb -0.19 -2.54 0.06 0.00 1.01 0.00 0.00 42.92 41.27 1rrx s ASP 180 CO -0.19 -0.68 0.53 1.41 0.21 0.00 0.00 175.17 176.44 1rrx n HIS 181 N 6.31 -1.51 0.00 4.23 8.25 -0.60 0.48 115.22 132.38 1rrx n HIS 181 Ca 0.12 -1.95 0.00 0.00 -0.26 0.00 0.00 57.72 55.63 1rrx n HIS 181 Cb 0.46 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 31.13 1rrx n HIS 181 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1rrx n GLN 183 N -1.86 0.00 -4.42 -0.41 7.27 0.09 -3.00 117.38 115.04 1rrx n GLN 183 Ca 0.06 0.00 -0.20 0.00 0.07 0.00 0.00 57.00 56.93 1rrx n GLN 183 Cb 0.54 0.00 -0.15 0.00 2.41 0.00 0.00 30.24 33.03 1rrx n GLN 183 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 1rrx s GLN 184 N -1.04 0.98 -0.03 3.69 0.74 0.66 -0.44 119.66 124.22 1rrx s GLN 184 Ca 0.00 -0.33 0.03 0.00 0.05 0.00 0.00 55.36 55.11 1rrx s GLN 184 Cb 0.00 -0.91 -0.00 0.00 1.10 0.00 0.00 33.01 33.20 1rrx s GLN 184 CO 0.00 0.14 -0.12 -0.80 -0.55 0.00 0.00 175.29 173.96 1rrx s ASN 185 N 0.11 1.50 -0.02 6.67 -0.87 -1.00 0.50 114.94 121.84 1rrx s ASN 185 Ca -0.02 -0.24 -0.03 0.00 -1.57 0.00 0.00 52.86 51.00 1rrx s ASN 185 Cb -0.08 -0.38 0.00 0.00 -0.02 0.00 0.00 41.25 40.78 1rrx s ASN 185 CO 0.00 0.10 0.07 0.42 -2.57 0.00 0.00 177.10 175.13 1rrx s THR 186 N 0.09 0.04 0.61 1.60 -4.23 -0.72 -2.25 115.64 110.79 1rrx s THR 186 Ca -0.02 -0.31 -0.18 0.00 -1.18 0.00 0.00 61.69 59.99 1rrx s THR 186 Cb -0.09 -0.22 -0.03 0.00 1.34 0.00 0.00 72.50 73.51 1rrx s THR 186 CO 0.01 -0.17 1.24 -2.16 -0.54 0.00 0.00 174.62 173.00 1rrx s PRO 187 N -0.53 2.80 -0.14 3.99 0.04 -1.26 -0.72 135.00 139.18 1rrx s PRO 187 Ca -0.06 1.93 -0.15 0.00 0.04 0.00 0.00 61.00 62.76 1rrx s PRO 187 Cb -0.04 -1.90 -0.25 0.00 0.04 0.00 0.00 34.50 32.36 1rrx s PRO 187 CO 0.00 -1.37 0.41 0.82 0.04 0.00 0.00 177.00 176.90 1rrx h ILE 188 N 0.75 0.88 -3.99 0.56 2.04 -1.26 -3.44 117.51 113.05 1rrx h ILE 188 Ca -0.51 -2.32 -0.45 0.00 1.00 0.00 0.00 64.86 62.58 1rrx h ILE 188 Cb 1.31 2.52 0.15 0.00 -0.74 0.00 0.00 36.82 40.07 1rrx h ILE 188 CO 0.54 0.66 0.24 -0.83 0.00 0.00 0.00 178.15 178.76 1rrx s GLY 189 N -5.12 1.58 -0.03 5.37 0.00 -1.26 -4.97 107.32 102.89 1rrx s GLY 189 Ca -0.23 -0.58 0.11 0.00 0.00 0.00 0.00 44.72 44.02 1rrx s GLY 189 CO 0.72 0.06 1.27 2.09 0.00 0.00 0.00 173.10 177.24 1rrx n ASP 190 N -4.06 3.03 -4.80 1.64 3.85 -1.26 -5.00 116.55 109.95 1rrx n ASP 190 Ca 0.07 -2.20 -0.30 0.00 -0.71 0.00 0.00 54.79 51.66 1rrx n ASP 190 Cb 0.59 -0.27 0.09 0.00 -1.35 0.00 0.00 41.12 40.18 1rrx n ASP 190 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 1rrx s GLY 191 N -1.19 1.62 0.35 6.12 0.00 -1.26 -4.98 107.32 107.98 1rrx s GLY 191 Ca 0.25 -0.20 -0.28 0.00 0.00 0.00 0.00 44.72 44.50 1rrx s GLY 191 CO 0.13 0.23 1.23 2.56 0.00 0.00 0.00 173.10 177.26 1rrx s PRO 192 N -5.14 4.29 0.15 2.90 0.04 -1.26 -5.05 135.00 130.93 1rrx s PRO 192 Ca 0.61 2.03 0.09 0.00 0.04 0.00 0.00 61.00 63.77 1rrx s PRO 192 Cb -0.15 -2.96 -0.04 0.00 0.04 0.00 0.00 34.50 31.40 1rrx s PRO 192 CO 0.54 -0.18 -0.20 0.14 0.04 0.00 0.00 177.00 177.34 1rrx s VAL 193 N -1.23 1.88 -0.14 -0.36 -7.23 -1.26 -4.82 120.40 107.24 1rrx s VAL 193 Ca 0.51 -1.84 -0.29 0.00 -1.81 0.00 0.00 61.98 58.55 1rrx s VAL 193 Cb -0.36 -1.82 -0.01 0.00 0.56 0.00 0.00 36.38 34.76 1rrx s VAL 193 CO 0.46 -0.21 1.04 -0.76 -0.31 0.00 0.00 175.10 175.32 1rrx s LEU 194 N -2.46 4.20 -0.40 1.32 1.02 -1.26 -5.01 118.68 116.09 1rrx s LEU 194 Ca 0.14 1.51 -0.12 0.00 0.02 0.00 0.00 54.13 55.68 1rrx s LEU 194 Cb -0.07 -3.55 0.04 0.00 0.02 0.00 0.00 46.19 42.63 1rrx s LEU 194 CO 0.06 -0.54 0.25 -0.76 0.02 0.00 0.00 176.35 175.39 1rrx s LEU 195 N 2.44 4.96 0.70 1.79 1.43 -1.26 -3.94 118.68 124.80 1rrx s LEU 195 Ca 0.48 -1.10 -0.13 0.00 -1.03 0.00 0.00 54.13 52.35 1rrx s LEU 195 Cb -0.18 -2.06 0.02 0.00 0.03 0.00 0.00 46.19 44.00 1rrx s LEU 195 CO 0.14 -0.45 1.09 -2.16 0.23 0.00 0.00 176.35 175.20 1rrx s PRO 196 N 1.56 2.68 0.67 1.29 0.04 -1.26 -4.94 135.00 135.04 1rrx s PRO 196 Ca 0.03 1.22 -0.09 0.00 0.04 0.00 0.00 61.00 62.19 1rrx s PRO 196 Cb -0.20 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.41 1rrx s PRO 196 CO 0.06 -1.32 1.02 -0.51 0.04 0.00 0.00 177.00 176.30 1rrx s ASP 197 N -3.10 5.40 0.38 6.66 1.01 -1.26 -3.64 116.67 122.12 1rrx s ASP 197 Ca 0.63 0.90 -0.27 0.00 0.71 0.00 0.00 52.55 54.52 1rrx s ASP 197 Cb -0.18 -1.74 -0.11 0.00 1.01 0.00 0.00 42.92 41.90 1rrx s ASP 197 CO 0.48 -1.29 1.36 0.59 0.21 0.00 0.00 175.17 176.52 1rrx n ASN 198 N -2.86 3.07 0.00 0.27 3.02 -1.26 -4.82 115.26 112.69 1rrx n ASN 198 Ca 0.06 1.18 0.00 0.00 -0.03 0.00 0.00 54.58 55.79 1rrx n ASN 198 Cb 0.58 -1.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.21 1rrx n ASN 198 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rrx n HIS 199 N 0.19 0.00 -3.98 3.10 1.44 -1.03 -4.83 115.22 110.11 1rrx n HIS 199 Ca 0.04 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.60 1rrx n HIS 199 Cb 0.38 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.34 1rrx n HIS 199 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1rrx s LEU 201 N 0.00 1.60 -0.32 2.39 1.43 0.66 -1.04 118.68 123.40 1rrx s LEU 201 Ca 0.00 -0.04 -0.12 0.00 -1.03 0.00 0.00 54.13 52.94 1rrx s LEU 201 Cb 0.00 -0.18 -0.03 0.00 0.03 0.00 0.00 46.19 46.01 1rrx s LEU 201 CO 0.00 -0.03 0.21 -0.55 0.23 0.00 0.00 176.35 176.21 1rrx s SER 202 N 0.46 5.96 0.28 2.29 0.15 0.08 -0.51 113.70 122.40 1rrx s SER 202 Ca -0.04 -0.32 0.09 0.00 0.70 0.00 0.00 55.95 56.38 1rrx s SER 202 Cb -0.07 -2.11 -0.04 0.00 -1.71 0.00 0.00 66.02 62.09 1rrx s SER 202 CO -0.01 -0.17 0.04 0.42 1.20 0.00 0.00 173.24 174.72 1rrx s THR 203 N 1.72 3.49 -0.26 6.45 -4.23 0.21 -1.50 115.64 121.51 1rrx s THR 203 Ca 0.06 -1.83 -0.22 0.00 -1.18 0.00 0.00 61.69 58.53 1rrx s THR 203 Cb -0.17 -2.93 0.07 0.00 1.34 0.00 0.00 72.50 70.82 1rrx s THR 203 CO 0.10 -0.34 0.68 0.00 -0.54 0.00 0.00 174.62 174.52 1rrx s GLN 204 N -3.72 0.77 0.03 3.99 -2.07 -0.97 -2.67 119.66 115.02 1rrx s GLN 204 Ca 0.32 1.02 -0.00 0.00 -1.82 0.00 0.00 55.36 54.89 1rrx s GLN 204 Cb -0.06 0.32 -0.02 0.00 -1.09 0.00 0.00 33.01 32.15 1rrx s GLN 204 CO 0.21 -0.11 -0.03 -1.12 -1.32 0.00 0.00 175.29 172.92 1rrx s SER 205 N 0.71 0.32 -0.07 12.60 0.01 -1.26 -1.85 113.70 124.17 1rrx s SER 205 Ca -0.03 -0.61 0.01 0.00 1.31 0.00 0.00 55.95 56.63 1rrx s SER 205 Cb -0.05 0.12 0.02 0.00 0.21 0.00 0.00 66.02 66.32 1rrx s SER 205 CO -0.05 -0.36 -0.07 0.00 0.41 0.00 0.00 173.24 173.17 1rrx s ALA 206 N -1.98 1.00 -0.13 1.44 0.00 0.22 -4.77 121.76 117.54 1rrx s ALA 206 Ca -0.11 -0.28 -0.05 0.00 0.00 0.00 0.00 51.96 51.52 1rrx s ALA 206 Cb -0.06 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.40 1rrx s ALA 206 CO -0.03 -0.12 0.06 -0.51 0.00 0.00 0.00 175.76 175.16 1rrx s LEU 207 N 1.15 3.89 0.33 0.00 1.43 -1.26 -1.64 118.68 122.58 1rrx s LEU 207 Ca -0.06 0.21 0.06 0.00 -1.03 0.00 0.00 54.13 53.30 1rrx s LEU 207 Cb -0.14 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 1rrx s LEU 207 CO -0.01 0.31 0.31 -0.94 0.23 0.00 0.00 176.35 176.25 1rrx s SER 208 N -0.45 1.54 0.07 2.29 1.04 -0.15 -4.95 113.70 113.08 1rrx s SER 208 Ca 0.10 -1.71 0.07 0.00 0.48 0.00 0.00 55.95 54.88 1rrx s SER 208 Cb -0.12 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.55 1rrx s SER 208 CO 0.02 -1.10 -0.19 -0.75 0.98 0.00 0.00 173.24 172.20 1rrx s LYS 209 N -3.38 1.14 -0.41 4.02 2.47 -1.26 -1.78 119.74 120.53 1rrx s LYS 209 Ca 0.39 -0.98 -0.20 0.00 -1.56 0.00 0.00 55.97 53.62 1rrx s LYS 209 Cb 0.02 -1.27 0.02 0.00 -1.46 0.00 0.00 37.83 35.14 1rrx s LYS 209 CO 0.26 0.31 0.63 0.34 0.16 0.00 0.00 175.35 177.05 1rrx s ASP 210 N -1.48 6.35 0.59 1.43 -1.08 -1.26 -4.96 116.67 116.25 1rrx s ASP 210 Ca 0.05 -0.20 0.29 0.00 -0.52 0.00 0.00 52.55 52.16 1rrx s ASP 210 Cb -0.09 -2.32 1.42 0.00 -1.46 0.00 0.00 42.92 40.48 1rrx s ASP 210 CO 0.03 -0.71 1.83 1.55 0.52 0.00 0.00 175.17 178.38 1rrx h PRO 211 N 8.75 0.00 -0.47 4.34 0.13 -2.04 -0.76 132.00 141.96 1rrx h PRO 211 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1rrx h PRO 211 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1rrx h PRO 211 CO 0.87 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.73 1rrx n ASN 212 N -3.71 3.44 -4.65 1.44 4.13 -1.26 -4.92 115.26 109.72 1rrx n ASN 212 Ca 0.11 -1.96 -0.38 0.00 1.68 0.00 0.00 54.58 54.03 1rrx n ASN 212 Cb 0.81 -0.31 -0.08 0.00 -1.54 0.00 0.00 39.78 38.67 1rrx n ASN 212 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1rrx s GLU 213 N -1.21 4.14 0.03 3.52 2.56 -0.29 -4.95 118.70 122.49 1rrx s GLU 213 Ca 0.38 0.18 0.23 0.00 0.00 0.00 0.00 54.97 55.75 1rrx s GLU 213 Cb 0.21 -3.57 -0.00 0.00 2.00 0.00 0.00 34.13 32.77 1rrx s GLU 213 CO 0.28 -0.11 0.99 1.63 -0.56 0.00 0.00 175.26 177.50 1rrx n LYS 214 N 4.71 0.22 -2.42 4.30 4.76 -1.26 -4.91 118.16 123.56 1rrx n LYS 214 Ca -0.08 -0.02 -0.32 0.00 -2.87 0.00 0.00 58.31 55.02 1rrx n LYS 214 Cb 0.51 -1.55 -0.03 0.00 -1.84 0.00 0.00 35.03 32.11 1rrx n LYS 214 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1rrx s ARG 215 N -3.15 3.94 0.08 1.97 0.52 -1.26 -4.97 118.95 116.07 1rrx s ARG 215 Ca 0.05 0.93 -0.31 0.00 -0.52 0.00 0.00 55.73 55.88 1rrx s ARG 215 Cb 0.15 -2.15 -0.08 0.00 0.52 0.00 0.00 34.95 33.39 1rrx s ARG 215 CO 0.82 -0.26 1.63 0.34 0.02 0.00 0.00 175.30 177.85 1rrx s ASP 216 N -3.07 6.61 0.35 0.23 -1.08 -1.26 -4.93 116.67 113.53 1rrx s ASP 216 Ca 0.59 2.48 -0.09 0.00 -0.52 0.00 0.00 52.55 55.01 1rrx s ASP 216 Cb -0.10 -2.57 0.02 0.00 -1.46 0.00 0.00 42.92 38.82 1rrx s ASP 216 CO 0.31 -0.87 0.61 -1.38 0.52 0.00 0.00 175.17 174.36 1rrx s HIS 217 N 2.46 0.58 -0.18 -5.34 -3.43 -1.26 -0.82 115.29 107.30 1rrx s HIS 217 Ca 0.73 -1.01 -0.09 0.00 -0.80 0.00 0.00 55.06 53.89 1rrx s HIS 217 Cb -0.40 0.33 0.07 0.00 -1.43 0.00 0.00 32.58 31.15 1rrx s HIS 217 CO 0.32 -1.30 0.43 1.41 -2.00 0.00 0.00 174.74 173.59 1rrx s MET 218 N -2.88 0.39 -0.15 -0.38 1.75 -0.16 -4.97 119.30 112.90 1rrx s MET 218 Ca 0.23 0.88 -0.06 0.00 -1.25 0.00 0.00 55.69 55.48 1rrx s MET 218 Cb -0.03 0.08 -0.04 0.00 2.84 0.00 0.00 34.83 37.69 1rrx s MET 218 CO 0.15 -0.18 0.08 0.08 -0.65 0.00 0.00 175.02 174.50 1rrx s VAL 219 N 1.75 4.94 -0.04 10.11 1.01 -0.73 0.00 120.40 137.43 1rrx s VAL 219 Ca -0.07 0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.94 1rrx s VAL 219 Cb -0.09 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 33.12 1rrx s VAL 219 CO -0.13 0.53 -0.09 -0.22 0.00 0.00 0.00 175.10 175.18 1rrx s LEU 220 N -0.24 1.63 -0.12 3.92 2.96 0.54 -0.98 118.68 126.39 1rrx s LEU 220 Ca 0.09 -0.22 0.00 0.00 -0.22 0.00 0.00 54.13 53.78 1rrx s LEU 220 Cb -0.12 -0.64 0.02 0.00 0.50 0.00 0.00 46.19 45.95 1rrx s LEU 220 CO 0.01 0.03 -0.12 -0.22 -1.32 0.00 0.00 176.35 174.73 1rrx s LEU 221 N 0.53 1.50 -0.00 -0.68 2.96 -0.65 -1.58 118.68 120.75 1rrx s LEU 221 Ca -0.09 -0.39 -0.01 0.00 -0.22 0.00 0.00 54.13 53.41 1rrx s LEU 221 Cb -0.13 -1.01 -0.00 0.00 0.50 0.00 0.00 46.19 45.55 1rrx s LEU 221 CO 0.02 -0.06 0.02 -0.70 -1.32 0.00 0.00 176.35 174.31 1rrx s GLU 222 N 1.41 0.17 -0.06 1.98 2.12 -0.28 -0.61 118.70 123.44 1rrx s GLU 222 Ca 0.01 -0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.14 1rrx s GLU 222 Cb -0.13 0.07 0.02 0.00 0.26 0.00 0.00 34.13 34.34 1rrx s GLU 222 CO -0.07 -0.03 -0.09 -0.06 -0.54 0.00 0.00 175.26 174.47 1rrx s PHE 223 N -0.61 1.16 -0.03 5.30 0.08 -0.77 -0.01 117.98 123.10 1rrx s PHE 223 Ca -0.07 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.58 1rrx s PHE 223 Cb -0.04 -0.90 0.03 0.00 -0.57 0.00 0.00 43.02 41.54 1rrx s PHE 223 CO -0.00 -0.24 0.02 0.08 -0.10 0.00 0.00 175.22 174.97 1rrx s VAL 224 N 0.78 0.08 -0.00 -0.44 1.01 0.10 -2.28 120.40 119.64 1rrx s VAL 224 Ca -0.13 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.03 1rrx s VAL 224 Cb -0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 1rrx s VAL 224 CO 0.02 0.13 -0.07 0.28 0.00 0.00 0.00 175.10 175.46 1rrx s THR 225 N 1.15 0.55 0.57 3.92 -1.32 -0.56 -0.31 115.64 119.63 1rrx s THR 225 Ca -0.08 -0.34 -0.18 0.00 -1.21 0.00 0.00 61.69 59.89 1rrx s THR 225 Cb -0.13 -0.47 -0.04 0.00 -1.51 0.00 0.00 72.50 70.35 1rrx s THR 225 CO -0.02 0.13 1.09 0.00 -2.21 0.00 0.00 174.62 173.60 1rrx s ALA 226 N -0.22 2.69 0.20 11.08 0.00 0.13 -0.74 121.76 134.89 1rrx s ALA 226 Ca 0.02 0.61 -0.22 0.00 0.00 0.00 0.00 51.96 52.37 1rrx s ALA 226 Cb -0.03 -3.30 0.07 0.00 0.00 0.00 0.00 23.12 19.86 1rrx s ALA 226 CO -0.00 -0.81 0.99 0.00 0.00 0.00 0.00 175.76 175.94 1rrx s ALA 227 N -2.11 -1.51 0.00 0.00 0.00 -1.26 -4.62 121.76 112.26 1rrx s ALA 227 Ca 0.68 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.38 1rrx s ALA 227 Cb -0.20 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.64 1rrx s ALA 227 CO 0.31 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.43 1rrx n GLY 228 N -0.62 1.04 0.00 0.00 0.00 -1.26 -4.69 105.19 99.66 1rrx n GLY 228 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1rrx n GLY 228 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71