#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xxe n GLU 4 N 0.00 0.10 -5.29 3.23 1.02 0.42 -4.60 120.64 115.51 1xxe n GLU 4 Ca 0.00 0.04 -0.31 0.00 -0.02 0.00 0.00 57.16 56.87 1xxe n GLU 4 Cb 0.00 -1.08 -0.16 0.00 -0.02 0.00 0.00 31.44 30.18 1xxe n GLU 4 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1xxe s LYS 5 N -1.07 2.11 0.33 3.49 2.47 -1.25 -0.98 119.74 124.83 1xxe s LYS 5 Ca 0.61 -0.93 0.06 0.00 -1.56 0.00 0.00 55.97 54.16 1xxe s LYS 5 Cb -0.75 -2.04 -0.03 0.00 -1.46 0.00 0.00 37.83 33.54 1xxe s LYS 5 CO 0.60 0.56 0.25 -0.08 0.16 0.00 0.00 175.35 176.84 1xxe s THR 6 N -0.62 0.05 0.38 3.43 -1.32 -0.89 -2.13 115.64 114.54 1xxe s THR 6 Ca 0.10 -2.00 -0.16 0.00 -1.21 0.00 0.00 61.69 58.42 1xxe s THR 6 Cb -0.10 -2.48 -0.09 0.00 -1.51 0.00 0.00 72.50 68.31 1xxe s THR 6 CO -0.01 0.00 0.83 0.68 -2.21 0.00 0.00 174.62 173.91 1xxe s VAL 7 N -3.48 4.59 -0.03 5.08 -7.23 -1.26 0.11 120.40 118.19 1xxe s VAL 7 Ca 0.39 1.09 -0.06 0.00 -1.81 0.00 0.00 61.98 61.59 1xxe s VAL 7 Cb 0.03 -3.63 -0.29 0.00 0.56 0.00 0.00 36.38 33.05 1xxe s VAL 7 CO 0.25 -0.32 0.74 0.50 -0.31 0.00 0.00 175.10 175.97 1xxe h LYS 8 N 1.89 0.31 -4.56 4.82 3.64 0.93 -3.41 116.57 120.19 1xxe h LYS 8 Ca -0.48 -0.53 -0.22 0.00 -1.27 0.00 0.00 60.65 58.16 1xxe h LYS 8 Cb 1.18 0.20 -0.16 0.00 -0.41 0.00 0.00 32.23 33.03 1xxe h LYS 8 CO 0.63 1.19 -0.70 -1.21 -2.27 0.00 0.00 179.45 177.09 1xxe s GLU 9 N -2.60 0.73 0.24 1.90 2.02 -1.26 -5.01 118.70 114.73 1xxe s GLU 9 Ca -0.13 -1.19 -0.31 0.00 0.02 0.00 0.00 54.97 53.37 1xxe s GLU 9 Cb 0.06 -0.16 -0.11 0.00 0.10 0.00 0.00 34.13 34.02 1xxe s GLU 9 CO 0.85 -0.02 1.59 0.21 0.02 0.00 0.00 175.26 177.91 1xxe s LYS 10 N -3.34 4.16 0.23 1.61 2.36 -1.26 -4.86 119.74 118.64 1xxe s LYS 10 Ca 0.06 2.50 0.10 0.00 -2.55 0.00 0.00 55.97 56.07 1xxe s LYS 10 Cb 0.02 -3.07 -0.05 0.00 -1.05 0.00 0.00 37.83 33.68 1xxe s LYS 10 CO -0.04 -0.62 -0.17 -0.51 1.55 0.00 0.00 175.35 175.56 1xxe s LEU 11 N 0.18 2.55 -0.02 5.43 1.43 -0.93 -4.99 118.68 122.32 1xxe s LEU 11 Ca 0.66 -1.00 -0.26 0.00 -1.03 0.00 0.00 54.13 52.50 1xxe s LEU 11 Cb -0.46 -0.88 0.06 0.00 0.03 0.00 0.00 46.19 44.94 1xxe s LEU 11 CO 0.41 -0.06 0.58 -0.94 0.23 0.00 0.00 176.35 176.56 1xxe s SER 12 N -3.29 -0.53 0.23 2.29 1.04 -1.26 -1.19 113.70 111.00 1xxe s SER 12 Ca 0.25 0.49 0.01 0.00 0.48 0.00 0.00 55.95 57.18 1xxe s SER 12 Cb -0.03 0.49 -0.05 0.00 0.10 0.00 0.00 66.02 66.52 1xxe s SER 12 CO 0.10 -0.60 0.09 -0.36 0.98 0.00 0.00 173.24 173.45 1xxe s PHE 13 N -1.44 1.42 -0.12 5.02 0.08 -0.37 -4.95 117.98 117.61 1xxe s PHE 13 Ca -0.11 -1.19 -0.10 0.00 0.12 0.00 0.00 56.93 55.66 1xxe s PHE 13 Cb -0.01 -0.81 0.03 0.00 -0.57 0.00 0.00 43.02 41.67 1xxe s PHE 13 CO 0.07 -0.37 0.31 -1.83 -0.10 0.00 0.00 175.22 173.31 1xxe s GLU 14 N -4.03 0.35 0.00 0.44 -1.05 -1.26 -1.53 118.70 111.61 1xxe s GLU 14 Ca 0.36 0.48 0.00 0.00 -0.15 0.00 0.00 54.97 55.65 1xxe s GLU 14 Cb 0.07 0.12 0.00 0.00 -0.44 0.00 0.00 34.13 33.89 1xxe s GLU 14 CO 0.12 -0.07 0.00 0.41 0.95 0.00 0.00 175.26 176.67 1xxe n GLY 15 N 3.19 1.51 3.75 -3.83 0.00 -0.74 -4.92 105.19 104.15 1xxe n GLY 15 Ca -0.15 -0.62 -0.40 0.00 0.00 0.00 0.00 46.02 44.84 1xxe n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xxe s VAL 16 N -2.00 4.01 0.40 1.61 0.11 -1.26 -2.06 120.40 121.20 1xxe s VAL 16 Ca 0.00 2.00 -0.25 0.00 -2.93 0.00 0.00 61.98 60.80 1xxe s VAL 16 Cb 0.00 -4.26 -0.08 0.00 -1.53 0.00 0.00 36.38 30.50 1xxe s VAL 16 CO 0.00 0.46 1.16 -0.83 -3.33 0.00 0.00 175.10 172.56 1xxe s GLY 17 N -1.17 2.86 0.11 6.54 0.00 -0.79 -2.32 107.32 112.56 1xxe s GLY 17 Ca 0.42 0.95 -0.21 0.00 0.00 0.00 0.00 44.72 45.87 1xxe s GLY 17 CO 0.33 1.46 1.75 1.19 0.00 0.00 0.00 173.10 177.83 1xxe h ILE 18 N 2.34 1.00 0.14 0.90 2.10 -1.82 -0.29 117.51 121.88 1xxe h ILE 18 Ca -0.49 -0.04 -0.34 0.00 1.08 0.00 0.00 64.86 65.07 1xxe h ILE 18 Cb 1.23 0.87 -0.00 0.00 -1.09 0.00 0.00 36.82 37.83 1xxe h ILE 18 CO 0.63 0.02 -1.75 0.45 -1.08 0.00 0.00 178.15 176.42 1xxe h HIS 19 N 0.12 0.56 -0.42 2.19 -0.00 -1.88 3.47 115.15 119.18 1xxe h HIS 19 Ca 0.04 -0.41 -0.11 0.00 -0.00 0.00 0.00 60.37 59.89 1xxe h HIS 19 Cb 0.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.37 1xxe h HIS 19 CO -0.08 1.59 -0.19 1.79 -0.00 0.00 0.00 177.93 181.03 1xxe h THR 20 N 0.08 1.27 -0.92 2.45 1.35 -1.92 -2.33 112.91 112.89 1xxe h THR 20 Ca -0.33 -1.30 -0.28 0.00 -0.55 0.00 0.00 66.41 63.94 1xxe h THR 20 Cb 2.06 1.15 -0.09 0.00 -1.73 0.00 0.00 68.15 69.54 1xxe h THR 20 CO 0.15 0.44 -0.28 0.61 -0.25 0.00 0.00 175.52 176.19 1xxe n GLY 21 N -0.27 1.13 3.45 5.82 0.00 -0.12 -4.63 105.19 110.57 1xxe n GLY 21 Ca 0.00 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.40 1xxe n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xxe s GLU 22 N -3.48 1.60 0.17 1.61 2.56 -1.26 -4.83 118.70 115.08 1xxe s GLU 22 Ca 0.00 -1.50 -0.30 0.00 0.00 0.00 0.00 54.97 53.17 1xxe s GLU 22 Cb 0.00 -1.89 -0.08 0.00 2.00 0.00 0.00 34.13 34.16 1xxe s GLU 22 CO 0.00 0.40 1.28 -0.47 -0.56 0.00 0.00 175.26 175.91 1xxe s TYR 23 N -1.70 3.32 0.05 5.30 5.04 -1.26 -1.88 117.35 126.22 1xxe s TYR 23 Ca 0.22 1.26 -0.04 0.00 -2.44 0.00 0.00 57.07 56.06 1xxe s TYR 23 Cb -0.08 -3.55 -0.02 0.00 0.35 0.00 0.00 41.96 38.66 1xxe s TYR 23 CO 0.11 -1.69 0.06 0.45 -1.34 0.00 0.00 175.55 173.14 1xxe s SER 24 N 0.43 0.29 0.21 4.32 0.15 -0.87 -4.84 113.70 113.38 1xxe s SER 24 Ca 0.57 -0.72 0.08 0.00 0.70 0.00 0.00 55.95 56.57 1xxe s SER 24 Cb -0.35 0.23 -0.05 0.00 -1.71 0.00 0.00 66.02 64.14 1xxe s SER 24 CO 0.36 -0.56 -0.14 -0.75 1.20 0.00 0.00 173.24 173.35 1xxe s LYS 25 N -3.22 1.35 0.01 5.44 2.20 -0.92 -1.80 119.74 122.81 1xxe s LYS 25 Ca 0.00 -1.61 0.05 0.00 -0.36 0.00 0.00 55.97 54.06 1xxe s LYS 25 Cb 0.03 -1.13 -0.02 0.00 -1.51 0.00 0.00 37.83 35.20 1xxe s LYS 25 CO -0.07 0.17 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.42 1xxe s LEU 26 N -3.33 2.09 -0.04 5.43 1.43 -0.58 -1.83 118.68 121.84 1xxe s LEU 26 Ca 0.23 -0.37 -0.00 0.00 -1.03 0.00 0.00 54.13 52.97 1xxe s LEU 26 Cb -0.00 -0.80 0.03 0.00 0.03 0.00 0.00 46.19 45.45 1xxe s LEU 26 CO 0.07 0.15 0.00 -0.63 0.23 0.00 0.00 176.35 176.18 1xxe s ILE 27 N -0.55 0.22 -0.18 -0.59 1.01 -0.64 -1.24 121.20 119.22 1xxe s ILE 27 Ca 0.05 0.10 -0.00 0.00 0.00 0.00 0.00 60.65 60.81 1xxe s ILE 27 Cb -0.07 -0.33 0.01 0.00 0.01 0.00 0.00 42.46 42.08 1xxe s ILE 27 CO 0.00 0.18 -0.16 -0.63 0.00 0.00 0.00 174.94 174.33 1xxe s ILE 28 N 1.28 2.47 0.11 2.92 1.01 -0.33 0.21 121.20 128.87 1xxe s ILE 28 Ca -0.06 -0.81 0.10 0.00 0.00 0.00 0.00 60.65 59.88 1xxe s ILE 28 Cb -0.13 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 1xxe s ILE 28 CO -0.02 0.51 -0.25 -1.00 0.00 0.00 0.00 174.94 174.17 1xxe s HIS 29 N 1.22 2.35 0.88 3.97 3.76 -0.95 -2.20 115.29 124.33 1xxe s HIS 29 Ca 0.03 -0.36 -0.10 0.00 -0.15 0.00 0.00 55.06 54.47 1xxe s HIS 29 Cb -0.14 -1.29 0.13 0.00 1.11 0.00 0.00 32.58 32.39 1xxe s HIS 29 CO -0.08 0.31 1.12 -1.25 -0.85 0.00 0.00 174.74 173.99 1xxe s PRO 30 N -1.93 1.30 0.09 8.40 0.04 -1.26 -1.90 135.00 139.74 1xxe s PRO 30 Ca 0.14 1.36 0.02 0.00 0.04 0.00 0.00 61.00 62.56 1xxe s PRO 30 Cb -0.10 -1.77 -0.01 0.00 0.04 0.00 0.00 34.50 32.66 1xxe s PRO 30 CO 0.06 -2.37 0.06 0.39 0.04 0.00 0.00 177.00 175.18 1xxe n GLU 31 N -4.04 0.39 -2.96 4.56 -0.58 -1.26 -4.68 120.64 112.07 1xxe n GLU 31 Ca 0.10 -0.88 -0.31 0.00 -0.42 0.00 0.00 57.16 55.66 1xxe n GLU 31 Cb 0.53 0.62 -0.04 0.00 -0.57 0.00 0.00 31.44 31.98 1xxe n GLU 31 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1xxe s LYS 32 N -2.37 3.84 0.36 3.49 2.20 -1.26 -4.97 119.74 121.03 1xxe s LYS 32 Ca 0.08 0.51 -0.25 0.00 -0.36 0.00 0.00 55.97 55.96 1xxe s LYS 32 Cb 0.00 -2.41 -0.13 0.00 -1.51 0.00 0.00 37.83 33.78 1xxe s LYS 32 CO 0.06 0.03 0.71 0.39 -0.36 0.00 0.00 175.35 176.18 1xxe n GLU 33 N -0.99 0.77 -2.46 4.03 4.71 -1.26 -1.34 120.64 124.10 1xxe n GLU 33 Ca 0.03 0.28 -0.21 0.00 -0.01 0.00 0.00 57.16 57.24 1xxe n GLU 33 Cb 0.54 -1.58 -0.01 0.00 -1.01 0.00 0.00 31.44 29.38 1xxe n GLU 33 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xxe n GLY 34 N 1.61 -0.50 0.11 0.62 0.00 -1.26 -4.87 105.19 100.90 1xxe n GLY 34 Ca 0.12 0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 1xxe n GLY 34 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1xxe h THR 35 N -0.14 1.39 0.00 2.61 2.02 -1.42 -3.50 112.91 113.87 1xxe h THR 35 Ca -0.50 -2.96 0.00 0.00 0.77 0.00 0.00 66.41 63.72 1xxe h THR 35 Cb 1.37 2.92 0.00 0.00 -1.74 0.00 0.00 68.15 70.70 1xxe h THR 35 CO 0.59 0.87 0.00 0.61 0.37 0.00 0.00 175.52 177.95 1xxe n GLY 36 N 1.59 -0.27 3.64 2.16 0.00 -0.49 -4.86 105.19 106.95 1xxe n GLY 36 Ca -0.11 -1.87 -0.38 0.00 0.00 0.00 0.00 46.02 43.65 1xxe n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xxe s ILE 37 N -1.05 5.20 0.02 -0.61 -1.09 -1.24 -2.26 121.20 120.17 1xxe s ILE 37 Ca 0.00 0.60 0.02 0.00 -2.23 0.00 0.00 60.65 59.04 1xxe s ILE 37 Cb 0.00 -3.70 -0.01 0.00 -1.58 0.00 0.00 42.46 37.17 1xxe s ILE 37 CO 0.00 0.21 -0.07 0.00 -1.23 0.00 0.00 174.94 173.85 1xxe s ARG 38 N 1.67 0.52 0.12 2.79 1.70 -1.01 -1.94 118.95 122.80 1xxe s ARG 38 Ca 0.16 -0.49 0.03 0.00 -0.47 0.00 0.00 55.73 54.96 1xxe s ARG 38 Cb -0.15 -0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 33.78 1xxe s ARG 38 CO 0.09 0.10 0.19 -0.06 -1.08 0.00 0.00 175.30 174.53 1xxe s PHE 39 N -0.73 3.35 0.00 5.89 0.08 -0.61 -1.45 117.98 124.50 1xxe s PHE 39 Ca -0.03 0.11 0.04 0.00 0.12 0.00 0.00 56.93 57.16 1xxe s PHE 39 Cb -0.06 -1.64 -0.01 0.00 -0.57 0.00 0.00 43.02 40.74 1xxe s PHE 39 CO 0.00 0.54 -0.11 0.12 -0.10 0.00 0.00 175.22 175.66 1xxe s PHE 40 N -1.62 1.02 -0.29 0.36 2.19 -0.46 0.41 117.98 119.59 1xxe s PHE 40 Ca 0.33 -0.23 -0.23 0.00 0.33 0.00 0.00 56.93 57.12 1xxe s PHE 40 Cb -0.11 -0.64 0.16 0.00 -1.31 0.00 0.00 43.02 41.11 1xxe s PHE 40 CO 0.26 -0.01 1.22 0.21 1.83 0.00 0.00 175.22 178.72 1xxe s LYS 41 N -0.50 0.27 -1.74 10.12 2.36 -0.51 -1.76 119.74 127.98 1xxe s LYS 41 Ca 0.03 0.34 0.00 0.00 -2.55 0.00 0.00 55.97 53.79 1xxe s LYS 41 Cb -0.05 0.12 0.00 0.00 -1.05 0.00 0.00 37.83 36.85 1xxe s LYS 41 CO -0.00 -0.04 0.00 0.09 1.55 0.00 0.00 175.35 176.95 1xxe n ASN 42 N 2.18 -5.61 -0.96 1.43 4.13 -1.26 -1.14 115.26 114.03 1xxe n ASN 42 Ca -0.13 0.07 -0.09 0.00 1.68 0.00 0.00 54.58 56.11 1xxe n ASN 42 Cb 0.56 -4.71 -0.01 0.00 -1.54 0.00 0.00 39.78 34.08 1xxe n ASN 42 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xxe n GLY 43 N -0.91 0.25 2.99 7.41 0.00 -1.26 -5.02 105.19 108.65 1xxe n GLY 43 Ca -0.23 -0.53 -0.18 0.00 0.00 0.00 0.00 46.02 45.08 1xxe n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xxe s VAL 44 N -2.43 0.63 -0.11 1.61 1.01 -0.30 -5.13 120.40 115.68 1xxe s VAL 44 Ca 0.00 -0.31 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 1xxe s VAL 44 Cb 0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 1xxe s VAL 44 CO 0.00 0.19 0.27 -0.31 0.00 0.00 0.00 175.10 175.26 1xxe s TYR 45 N 0.04 3.57 -0.33 5.22 1.51 -1.26 -1.43 117.35 124.67 1xxe s TYR 45 Ca -0.00 0.67 0.01 0.00 -1.01 0.00 0.00 57.07 56.73 1xxe s TYR 45 Cb -0.06 -2.21 0.10 0.00 -0.11 0.00 0.00 41.96 39.68 1xxe s TYR 45 CO -0.00 0.48 0.10 0.42 -1.11 0.00 0.00 175.55 175.44 1xxe s ILE 46 N -0.34 1.27 0.35 2.71 1.01 0.16 -4.93 121.20 121.44 1xxe s ILE 46 Ca 0.18 -1.72 -0.25 0.00 0.00 0.00 0.00 60.65 58.85 1xxe s ILE 46 Cb -0.14 -1.95 -0.13 0.00 0.01 0.00 0.00 42.46 40.26 1xxe s ILE 46 CO 0.06 -0.67 0.84 -2.65 0.00 0.00 0.00 174.94 172.51 1xxe n PRO 47 N 4.60 1.01 -3.06 2.79 -0.02 -1.26 -1.58 135.00 137.48 1xxe n PRO 47 Ca 0.00 0.36 -0.45 0.00 -2.02 0.00 0.00 63.50 61.40 1xxe n PRO 47 Cb 0.41 -1.73 -0.01 0.00 -0.02 0.00 0.00 33.50 32.16 1xxe n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xxe s ALA 48 N -1.23 3.95 0.05 3.55 0.00 -0.82 -4.81 121.76 122.46 1xxe s ALA 48 Ca 0.62 -3.26 -0.03 0.00 0.00 0.00 0.00 51.96 49.28 1xxe s ALA 48 Cb -0.65 -3.92 -0.03 0.00 0.00 0.00 0.00 23.12 18.51 1xxe s ALA 48 CO 0.58 -2.67 0.02 1.03 0.00 0.00 0.00 175.76 174.73 1xxe s ARG 49 N 1.22 0.60 0.15 0.00 0.52 -1.26 -4.56 118.95 115.62 1xxe s ARG 49 Ca 0.34 -1.03 -0.17 0.00 -0.52 0.00 0.00 55.73 54.35 1xxe s ARG 49 Cb -0.06 0.22 0.05 0.00 0.52 0.00 0.00 34.95 35.69 1xxe s ARG 49 CO -0.05 -0.13 1.71 1.12 0.02 0.00 0.00 175.30 177.96 1xxe h HIS 50 N 3.36 -0.03 0.00 -0.53 2.07 -1.94 0.02 115.15 118.11 1xxe h HIS 50 Ca -0.33 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.21 1xxe h HIS 50 Cb 1.16 0.06 0.00 0.00 2.57 0.00 0.00 27.41 31.20 1xxe h HIS 50 CO 0.53 -0.06 0.61 0.93 -3.07 0.00 0.00 177.93 176.88 1xxe h GLU 51 N 0.09 0.00 -0.38 5.12 4.39 -1.97 2.55 114.58 124.38 1xxe h GLU 51 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1xxe h GLU 51 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1xxe h GLU 51 CO -0.27 0.00 0.00 1.19 -1.16 0.00 0.00 179.01 178.77 1xxe n PHE 52 N -2.07 0.50 -1.69 4.33 3.01 -0.01 -4.93 117.46 116.60 1xxe n PHE 52 Ca -0.00 -0.25 -0.42 0.00 1.01 0.00 0.00 57.45 57.79 1xxe n PHE 52 Cb 0.62 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.06 1xxe n PHE 52 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1xxe s VAL 53 N -1.50 2.55 -0.05 -4.37 1.01 0.86 -2.80 120.40 116.09 1xxe s VAL 53 Ca 0.38 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.40 1xxe s VAL 53 Cb 0.21 -3.00 -0.06 0.00 0.00 0.00 0.00 36.38 33.53 1xxe s VAL 53 CO 0.30 -0.00 0.01 1.33 0.00 0.00 0.00 175.10 176.74 1xxe n VAL 54 N 4.85 0.36 -3.66 2.92 0.24 -1.00 -4.93 118.33 117.11 1xxe n VAL 54 Ca 0.18 -0.21 -0.08 0.00 -2.04 0.00 0.00 64.34 62.19 1xxe n VAL 54 Cb 0.38 -0.85 -0.09 0.00 -1.47 0.00 0.00 33.84 31.82 1xxe n VAL 54 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1xxe s HIS 55 N -2.13 -0.86 -0.10 6.34 5.65 -1.20 -5.06 115.29 117.93 1xxe s HIS 55 Ca -0.03 1.64 0.01 0.00 0.25 0.00 0.00 55.06 56.93 1xxe s HIS 55 Cb 0.02 0.39 -0.02 0.00 -1.18 0.00 0.00 32.58 31.78 1xxe s HIS 55 CO 0.21 -0.49 -0.13 0.95 -0.65 0.00 0.00 174.74 174.62 1xxe s THR 56 N 2.43 3.06 0.00 0.89 -4.23 -1.26 -1.79 115.64 114.74 1xxe s THR 56 Ca -0.04 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 1xxe s THR 56 Cb -0.11 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.48 1xxe s THR 56 CO -0.14 0.55 0.00 -3.20 -0.54 0.00 0.00 174.62 171.29 1xxe n ASN 57 N 3.07 0.00 0.09 3.99 2.85 -1.26 -4.88 115.26 119.12 1xxe n ASN 57 Ca -0.18 0.00 0.02 0.00 -0.11 0.00 0.00 54.58 54.32 1xxe n ASN 57 Cb 0.53 0.00 0.13 0.00 1.24 0.00 0.00 39.78 41.67 1xxe n ASN 57 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1xxe n HIS 58 N 0.00 0.16 -4.24 1.20 8.25 -1.26 -4.38 115.22 114.95 1xxe n HIS 58 Ca 0.00 0.08 -0.13 0.00 -0.26 0.00 0.00 57.72 57.41 1xxe n HIS 58 Cb 0.00 -0.34 -0.10 0.00 1.12 0.00 0.00 29.99 30.67 1xxe n HIS 58 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1xxe s SER 59 N -2.78 1.11 -0.22 0.41 1.04 -1.26 -5.05 113.70 106.96 1xxe s SER 59 Ca -0.01 -1.21 -0.07 0.00 0.48 0.00 0.00 55.95 55.15 1xxe s SER 59 Cb 0.01 0.14 -0.03 0.00 0.10 0.00 0.00 66.02 66.25 1xxe s SER 59 CO 0.04 -0.61 0.04 -0.89 0.98 0.00 0.00 173.24 172.81 1xxe s THR 60 N -3.71 4.31 -0.04 2.02 2.01 -1.26 -4.59 115.64 114.38 1xxe s THR 60 Ca 0.26 -0.19 0.07 0.00 0.31 0.00 0.00 61.69 62.14 1xxe s THR 60 Cb 0.06 -2.98 -0.01 0.00 0.01 0.00 0.00 72.50 69.58 1xxe s THR 60 CO 0.05 0.40 -0.24 -1.81 -0.69 0.00 0.00 174.62 172.33 1xxe s ASP 61 N 1.09 2.90 0.18 3.53 1.01 -0.74 -0.82 116.67 123.83 1xxe s ASP 61 Ca 0.04 -0.46 0.07 0.00 0.71 0.00 0.00 52.55 52.90 1xxe s ASP 61 Cb -0.14 -0.55 -0.04 0.00 1.01 0.00 0.00 42.92 43.19 1xxe s ASP 61 CO 0.03 0.27 -0.14 -0.76 0.21 0.00 0.00 175.17 174.78 1xxe s LEU 62 N -0.36 2.53 0.00 1.23 1.43 -0.86 -2.38 118.68 120.27 1xxe s LEU 62 Ca 0.03 -0.99 0.00 0.00 -1.03 0.00 0.00 54.13 52.14 1xxe s LEU 62 Cb -0.11 -0.61 0.00 0.00 0.03 0.00 0.00 46.19 45.50 1xxe s LEU 62 CO 0.01 -0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.01 1xxe n GLY 63 N -0.21 1.13 3.13 -3.19 0.00 -1.12 -0.18 105.19 104.75 1xxe n GLY 63 Ca -0.09 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 1xxe n GLY 63 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xxe s PHE 64 N -2.00 0.08 -2.01 1.61 5.36 0.12 -4.82 117.98 116.32 1xxe s PHE 64 Ca 0.00 -0.25 0.00 0.00 -0.96 0.00 0.00 56.93 55.72 1xxe s PHE 64 Cb 0.00 -0.07 0.00 0.00 -0.34 0.00 0.00 43.02 42.61 1xxe s PHE 64 CO 0.00 -0.34 0.00 1.63 -1.46 0.00 0.00 175.22 175.05 1xxe n LYS 65 N 1.11 -1.56 -0.72 10.12 5.02 -1.26 -0.90 118.16 129.97 1xxe n LYS 65 Ca -0.21 1.12 0.00 0.00 -2.02 0.00 0.00 58.31 57.20 1xxe n LYS 65 Cb 0.57 -5.63 0.00 0.00 -0.02 0.00 0.00 35.03 29.95 1xxe n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xxe n GLY 66 N -0.65 0.72 3.52 0.72 0.00 -1.26 -5.03 105.19 103.20 1xxe n GLY 66 Ca -0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 1xxe n GLY 66 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xxe s GLN 67 N -0.28 3.34 0.13 1.61 -1.52 -0.08 -5.11 119.66 117.75 1xxe s GLN 67 Ca 0.00 -0.54 -0.01 0.00 -1.95 0.00 0.00 55.36 52.86 1xxe s GLN 67 Cb 0.00 -2.78 -0.04 0.00 -0.22 0.00 0.00 33.01 29.97 1xxe s GLN 67 CO 0.00 0.39 0.05 1.03 -0.25 0.00 0.00 175.29 176.51 1xxe s ARG 68 N -0.05 0.93 0.04 2.91 0.52 -1.26 0.12 118.95 122.16 1xxe s ARG 68 Ca 0.01 -1.44 0.03 0.00 -0.52 0.00 0.00 55.73 53.81 1xxe s ARG 68 Cb -0.13 0.22 -0.02 0.00 0.52 0.00 0.00 34.95 35.54 1xxe s ARG 68 CO 0.03 -0.25 -0.09 0.42 0.02 0.00 0.00 175.30 175.43 1xxe s ILE 69 N -4.03 0.65 0.12 1.52 1.01 0.75 -4.84 121.20 116.38 1xxe s ILE 69 Ca 0.24 -1.01 0.08 0.00 0.00 0.00 0.00 60.65 59.96 1xxe s ILE 69 Cb 0.07 -0.68 -0.04 0.00 0.01 0.00 0.00 42.46 41.83 1xxe s ILE 69 CO 0.02 -0.27 -0.13 -0.54 0.00 0.00 0.00 174.94 174.01 1xxe s LYS 70 N -1.41 1.96 -0.78 2.79 1.02 -0.56 -2.03 119.74 120.74 1xxe s LYS 70 Ca -0.07 -1.13 -0.01 0.00 0.02 0.00 0.00 55.97 54.78 1xxe s LYS 70 Cb -0.09 -2.20 -0.00 0.00 -0.52 0.00 0.00 37.83 35.02 1xxe s LYS 70 CO 0.01 0.48 0.69 2.41 -0.92 0.00 0.00 175.35 178.02 1xxe n THR 71 N 0.63 -8.50 0.24 2.17 -1.04 0.00 -2.01 114.28 105.77 1xxe n THR 71 Ca -0.14 -0.25 0.03 0.00 -2.04 0.00 0.00 64.05 61.65 1xxe n THR 71 Cb 0.53 -5.96 -0.05 0.00 -1.82 0.00 0.00 70.33 63.04 1xxe n THR 71 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1xxe n VAL 72 N -2.09 0.00 0.29 12.58 0.24 -1.23 -4.22 118.33 123.90 1xxe n VAL 72 Ca -0.08 -0.28 0.18 0.00 -2.04 0.00 0.00 64.34 62.12 1xxe n VAL 72 Cb 0.55 0.80 0.90 0.00 -1.47 0.00 0.00 33.84 34.63 1xxe n VAL 72 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1xxe h GLU 73 N 0.00 0.00 0.39 7.34 4.11 -1.87 -2.28 114.58 122.27 1xxe h GLU 73 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1xxe h GLU 73 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1xxe h GLU 73 CO 0.00 0.00 -0.19 0.45 0.07 0.00 0.00 179.01 179.34 1xxe h HIS 74 N 0.00 -0.48 -0.71 2.06 3.86 -1.91 -1.83 115.15 116.14 1xxe h HIS 74 Ca 0.00 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1xxe h HIS 74 Cb 0.15 0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.74 1xxe h HIS 74 CO 0.00 -0.30 0.46 0.97 0.86 0.00 0.00 177.93 179.93 1xxe h ILE 75 N -1.07 1.17 -0.91 2.45 6.09 -1.85 -1.64 117.51 121.75 1xxe h ILE 75 Ca -0.05 -0.32 0.10 0.00 -1.37 0.00 0.00 64.86 63.21 1xxe h ILE 75 Cb 0.40 0.14 -0.08 0.00 0.47 0.00 0.00 36.82 37.75 1xxe h ILE 75 CO 0.09 0.17 0.55 -0.07 -3.07 0.00 0.00 178.15 175.82 1xxe h LEU 76 N 0.94 0.81 -0.28 2.19 3.38 -1.49 -0.26 115.31 120.60 1xxe h LEU 76 Ca 0.26 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.30 1xxe h LEU 76 Cb -0.09 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1xxe h LEU 76 CO -0.06 0.46 0.13 -1.28 0.09 0.00 0.00 178.44 177.77 1xxe h SER 77 N 0.91 0.18 0.30 -0.43 0.87 -0.41 0.27 113.55 115.24 1xxe h SER 77 Ca 0.44 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 61.01 1xxe h SER 77 Cb 0.39 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 1xxe h SER 77 CO -0.25 0.14 -0.22 0.58 -0.53 0.00 0.00 176.83 176.56 1xxe h VAL 78 N 0.27 0.54 -0.69 2.23 2.07 -0.86 -1.80 116.25 118.01 1xxe h VAL 78 Ca 0.12 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.76 1xxe h VAL 78 Cb 0.05 0.54 -0.08 0.00 -1.52 0.00 0.00 31.29 30.27 1xxe h VAL 78 CO -0.09 0.00 0.27 -0.07 0.02 0.00 0.00 177.57 177.70 1xxe h LEU 79 N -0.52 0.26 -0.07 2.57 3.38 -0.72 -0.55 115.31 119.66 1xxe h LEU 79 Ca -0.02 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1xxe h LEU 79 Cb 0.45 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1xxe h LEU 79 CO 0.00 0.12 -0.28 -0.74 0.09 0.00 0.00 178.44 177.64 1xxe h HIS 80 N 0.44 -0.75 -0.40 1.13 2.76 0.16 0.14 115.15 118.62 1xxe h HIS 80 Ca 0.37 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.53 1xxe h HIS 80 Cb 0.51 0.34 -0.02 0.00 1.55 0.00 0.00 27.41 29.79 1xxe h HIS 80 CO -0.17 -0.36 0.08 -0.07 -1.30 0.00 0.00 177.93 176.11 1xxe h LEU 81 N -0.38 0.54 0.00 0.26 3.38 -0.53 -1.72 115.31 116.86 1xxe h LEU 81 Ca 0.08 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xxe h LEU 81 Cb 0.50 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1xxe h LEU 81 CO -0.29 0.56 0.00 0.18 0.09 0.00 0.00 178.44 178.98 1xxe n LEU 82 N -4.31 0.00 -3.08 1.67 4.77 -0.29 -4.92 117.00 110.84 1xxe n LEU 82 Ca 0.02 0.22 -0.14 0.00 -0.03 0.00 0.00 56.01 56.09 1xxe n LEU 82 Cb 0.20 -0.22 0.07 0.00 -2.33 0.00 0.00 43.42 41.14 1xxe n LEU 82 CO 0.38 -0.01 0.06 -0.62 -1.33 0.00 0.00 177.39 175.88 1xxe n GLU 83 N -1.22 -4.08 -3.47 3.23 4.71 -0.06 -4.98 120.64 114.77 1xxe n GLU 83 Ca 0.16 0.75 -0.38 0.00 -0.01 0.00 0.00 57.16 57.68 1xxe n GLU 83 Cb 0.21 -5.37 -0.08 0.00 -1.01 0.00 0.00 31.44 25.19 1xxe n GLU 83 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1xxe s ILE 84 N -3.33 5.25 -0.02 -3.67 -1.09 -0.97 -3.92 121.20 113.45 1xxe s ILE 84 Ca 0.18 0.52 0.08 0.00 -2.23 0.00 0.00 60.65 59.20 1xxe s ILE 84 Cb -0.02 -3.65 -0.12 0.00 -1.58 0.00 0.00 42.46 37.08 1xxe s ILE 84 CO 0.64 0.27 0.16 0.35 -1.23 0.00 0.00 174.94 175.13 1xxe n THR 85 N 4.41 0.07 -3.79 2.92 -2.24 -0.91 -4.86 114.28 109.88 1xxe n THR 85 Ca -0.10 -0.20 -0.27 0.00 -2.27 0.00 0.00 64.05 61.20 1xxe n THR 85 Cb 0.51 0.17 -0.17 0.00 -2.10 0.00 0.00 70.33 68.75 1xxe n THR 85 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1xxe s ASN 86 N -3.06 2.81 -0.20 3.42 0.02 -1.21 -1.39 114.94 115.32 1xxe s ASN 86 Ca -0.03 -0.73 -0.28 0.00 -1.02 0.00 0.00 52.86 50.81 1xxe s ASN 86 Cb 0.05 -0.69 0.10 0.00 0.02 0.00 0.00 41.25 40.73 1xxe s ASN 86 CO 0.33 -0.26 0.89 0.68 0.02 0.00 0.00 177.10 178.76 1xxe s VAL 87 N 1.79 0.00 -0.38 1.60 -7.23 -0.96 -4.17 120.40 111.05 1xxe s VAL 87 Ca -0.00 0.00 -0.03 0.00 -1.81 0.00 0.00 61.98 60.13 1xxe s VAL 87 Cb -0.16 -1.00 0.09 0.00 0.56 0.00 0.00 36.38 35.87 1xxe s VAL 87 CO -0.07 0.00 0.16 -0.89 -0.31 0.00 0.00 175.10 173.99 1xxe s THR 88 N -0.37 3.31 -0.30 5.32 2.01 -0.80 -2.40 115.64 122.42 1xxe s THR 88 Ca -0.02 -1.83 -0.18 0.00 0.31 0.00 0.00 61.69 59.98 1xxe s THR 88 Cb -0.03 -3.16 -0.02 0.00 0.01 0.00 0.00 72.50 69.30 1xxe s THR 88 CO 0.00 -0.53 0.51 -0.63 -0.69 0.00 0.00 174.62 173.28 1xxe s ILE 89 N 1.19 5.05 -0.30 1.82 1.09 -0.53 -2.24 121.20 127.28 1xxe s ILE 89 Ca 0.05 0.66 -0.15 0.00 -1.10 0.00 0.00 60.65 60.11 1xxe s ILE 89 Cb -0.22 -3.88 -0.03 0.00 -1.06 0.00 0.00 42.46 37.27 1xxe s ILE 89 CO -0.03 -0.04 0.38 -1.61 -0.10 0.00 0.00 174.94 173.55 1xxe s GLU 90 N 2.35 3.85 -0.44 2.79 2.02 0.13 -1.35 118.70 128.06 1xxe s GLU 90 Ca 0.20 -0.11 -0.11 0.00 0.02 0.00 0.00 54.97 54.97 1xxe s GLU 90 Cb -0.15 -3.71 0.08 0.00 0.10 0.00 0.00 34.13 30.45 1xxe s GLU 90 CO 0.11 -0.38 0.31 0.08 0.02 0.00 0.00 175.26 175.40 1xxe s VAL 91 N 2.09 4.55 -0.45 2.63 1.01 -0.72 -1.63 120.40 127.88 1xxe s VAL 91 Ca 0.14 -1.33 -0.25 0.00 0.00 0.00 0.00 61.98 60.54 1xxe s VAL 91 Cb -0.16 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.46 1xxe s VAL 91 CO 0.11 -0.56 0.92 -0.63 0.00 0.00 0.00 175.10 174.94 1xxe s ILE 92 N 1.49 4.50 -3.21 2.22 1.01 -0.76 -4.72 121.20 121.73 1xxe s ILE 92 Ca 0.03 0.79 0.00 0.00 0.00 0.00 0.00 60.65 61.48 1xxe s ILE 92 Cb -0.24 -4.41 0.00 0.00 0.01 0.00 0.00 42.46 37.82 1xxe s ILE 92 CO 0.03 -0.78 0.00 0.61 0.00 0.00 0.00 174.94 174.80 1xxe n GLY 93 N 4.86 0.79 0.00 6.18 0.00 -1.26 -2.15 105.19 113.60 1xxe n GLY 93 Ca 0.06 -2.03 0.03 0.00 0.00 0.00 0.00 46.02 44.08 1xxe n GLY 93 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xxe n ASN 94 N 0.56 1.52 -3.91 1.61 2.85 -1.26 -4.98 115.26 111.65 1xxe n ASN 94 Ca 0.00 -0.40 -0.10 0.00 -0.11 0.00 0.00 54.58 53.96 1xxe n ASN 94 Cb 0.00 1.12 -0.11 0.00 1.24 0.00 0.00 39.78 42.03 1xxe n ASN 94 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 1xxe s GLU 95 N -1.96 0.31 0.05 1.20 2.12 -1.26 -1.50 118.70 117.67 1xxe s GLU 95 Ca 0.01 -0.37 -0.31 0.00 0.36 0.00 0.00 54.97 54.66 1xxe s GLU 95 Cb 0.05 0.12 -0.07 0.00 0.26 0.00 0.00 34.13 34.49 1xxe s GLU 95 CO 0.28 -0.06 1.46 0.42 -0.54 0.00 0.00 175.26 176.81 1xxe s ILE 96 N -1.07 3.41 0.04 -3.70 -1.09 -0.85 -4.61 121.20 113.34 1xxe s ILE 96 Ca -0.12 0.90 -0.38 0.00 -2.23 0.00 0.00 60.65 58.82 1xxe s ILE 96 Cb -0.07 -3.58 -0.18 0.00 -1.58 0.00 0.00 42.46 37.06 1xxe s ILE 96 CO 0.00 0.02 1.28 -2.65 -1.23 0.00 0.00 174.94 172.36 1xxe n PRO 97 N 4.95 0.78 0.08 2.79 -0.02 -1.26 -4.45 135.00 137.87 1xxe n PRO 97 Ca 0.13 0.28 -0.09 0.00 -2.02 0.00 0.00 63.50 61.80 1xxe n PRO 97 Cb 0.42 -1.88 -0.02 0.00 -0.02 0.00 0.00 33.50 32.01 1xxe n PRO 97 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1xxe h ILE 98 N 3.32 1.50 0.00 4.25 6.09 -1.72 -3.47 117.51 127.47 1xxe h ILE 98 Ca -0.49 -2.64 0.00 0.00 -1.37 0.00 0.00 64.86 60.36 1xxe h ILE 98 Cb 1.36 2.48 0.00 0.00 0.47 0.00 0.00 36.82 41.14 1xxe h ILE 98 CO 0.75 0.77 0.00 0.18 -3.07 0.00 0.00 178.15 176.78 1xxe n LEU 99 N -3.65 0.00 -0.04 2.19 4.77 -1.26 -0.98 117.00 118.03 1xxe n LEU 99 Ca -0.04 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.89 1xxe n LEU 99 Cb 0.82 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.77 1xxe n LEU 99 CO 0.48 0.00 -0.71 -0.67 -1.33 0.00 0.00 177.39 175.16 1xxe n ASP 100 N 8.19 0.50 0.00 -1.43 2.03 -1.26 -4.52 116.55 120.05 1xxe n ASP 100 Ca 0.00 0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.54 1xxe n ASP 100 Cb 0.00 0.51 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 1xxe n ASP 100 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xxe n GLY 101 N 1.57 0.87 0.00 0.27 0.00 -0.15 -4.31 105.19 103.43 1xxe n GLY 101 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1xxe n GLY 101 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xxe n SER 102 N 0.00 1.65 -0.18 1.61 3.41 -1.26 -1.43 113.62 117.42 1xxe n SER 102 Ca 0.00 -0.62 0.03 0.00 -0.26 0.00 0.00 58.87 58.02 1xxe n SER 102 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 1xxe n SER 102 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xxe n GLY 103 N 4.12 -0.57 0.31 5.00 0.00 -0.96 -4.68 105.19 108.42 1xxe n GLY 103 Ca 0.00 -0.16 0.11 0.00 0.00 0.00 0.00 46.02 45.97 1xxe n GLY 103 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1xxe h TRP 104 N 0.89 0.62 0.19 1.61 2.91 -1.83 0.27 115.95 120.60 1xxe h TRP 104 Ca 0.00 0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.05 1xxe h TRP 104 Cb 0.22 -0.14 0.00 0.00 -0.51 0.00 0.00 29.16 28.73 1xxe h TRP 104 CO 0.00 -0.02 -0.09 0.93 -1.03 0.00 0.00 178.44 178.23 1xxe h GLU 105 N 0.42 -0.24 -0.49 2.65 4.39 -1.90 0.72 114.58 120.13 1xxe h GLU 105 Ca 0.53 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 60.22 1xxe h GLU 105 Cb 0.96 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.65 1xxe h GLU 105 CO -0.50 -0.06 0.21 0.74 -1.16 0.00 0.00 179.01 178.24 1xxe h PHE 106 N -0.38 0.73 -0.56 4.33 0.04 -1.67 -1.34 116.94 118.10 1xxe h PHE 106 Ca -0.03 -0.05 -0.05 0.00 2.80 0.00 0.00 57.97 60.65 1xxe h PHE 106 Cb 0.29 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.19 1xxe h PHE 106 CO -0.03 0.60 0.14 -0.92 -0.60 0.00 0.00 178.31 177.51 1xxe h TYR 107 N 0.65 0.88 -0.01 -0.55 3.20 -0.33 -0.75 116.97 120.06 1xxe h TYR 107 Ca 0.17 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 1xxe h TYR 107 Cb 0.17 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.18 1xxe h TYR 107 CO 0.00 0.73 -0.02 0.93 -1.64 0.00 0.00 178.16 178.16 1xxe h GLU 108 N 0.82 0.03 -0.04 1.82 4.39 0.88 -1.98 114.58 120.50 1xxe h GLU 108 Ca 0.18 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.78 1xxe h GLU 108 Cb 0.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1xxe h GLU 108 CO -0.00 0.66 -0.28 0.00 -1.16 0.00 0.00 179.01 178.23 1xxe h ALA 109 N 0.37 0.08 -0.34 3.43 0.00 -1.26 -3.23 119.26 118.31 1xxe h ALA 109 Ca -0.00 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 1xxe h ALA 109 Cb 0.66 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1xxe h ALA 109 CO 0.00 0.12 -0.20 0.82 0.00 0.00 0.00 179.25 180.00 1xxe h ILE 110 N -0.31 1.29 -0.33 0.00 2.04 -1.28 -2.85 117.51 116.06 1xxe h ILE 110 Ca -0.02 -1.33 0.10 0.00 1.00 0.00 0.00 64.86 64.60 1xxe h ILE 110 Cb 0.96 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 1xxe h ILE 110 CO 0.06 0.43 0.29 -0.09 0.00 0.00 0.00 178.15 178.84 1xxe h ARG 111 N 0.51 0.00 0.00 2.37 2.43 -1.46 0.30 114.38 118.53 1xxe h ARG 111 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1xxe h ARG 111 Cb 0.75 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 1xxe h ARG 111 CO 0.06 0.00 -0.38 -0.22 -1.51 0.00 0.00 179.97 177.91 1xxe h LYS 112 N 0.00 0.00 -0.34 0.20 3.64 -1.52 -3.31 116.57 115.24 1xxe h LYS 112 Ca 0.16 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.37 1xxe h LYS 112 Cb 0.73 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.45 1xxe h LYS 112 CO -0.00 0.00 -0.09 0.09 -2.27 0.00 0.00 179.45 177.18 1xxe n ASN 113 N -2.69 2.50 -4.83 4.20 3.02 0.98 -5.03 115.26 113.41 1xxe n ASN 113 Ca 0.03 -3.75 -0.33 0.00 -0.03 0.00 0.00 54.58 50.50 1xxe n ASN 113 Cb 0.51 -0.63 -0.07 0.00 -0.61 0.00 0.00 39.78 38.98 1xxe n ASN 113 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xxe s ILE 114 N -3.23 4.49 0.17 2.41 1.01 -0.82 0.14 121.20 125.37 1xxe s ILE 114 Ca 0.44 1.30 0.05 0.00 0.00 0.00 0.00 60.65 62.44 1xxe s ILE 114 Cb 0.40 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 39.20 1xxe s ILE 114 CO -0.00 -0.24 -0.09 -0.22 0.00 0.00 0.00 174.94 174.39 1xxe s LEU 115 N -3.04 2.48 -0.11 2.97 2.96 0.12 -4.53 118.68 119.53 1xxe s LEU 115 Ca 0.58 -1.05 -0.04 0.00 -0.22 0.00 0.00 54.13 53.40 1xxe s LEU 115 Cb -0.10 -0.39 -0.04 0.00 0.50 0.00 0.00 46.19 46.17 1xxe s LEU 115 CO 0.15 -0.33 0.03 0.20 -1.32 0.00 0.00 176.35 175.08 1xxe s ASN 116 N -3.22 5.47 0.06 3.68 0.02 -1.26 -2.09 114.94 117.60 1xxe s ASN 116 Ca 0.20 0.17 0.01 0.00 -1.02 0.00 0.00 52.86 52.21 1xxe s ASN 116 Cb 0.03 -1.69 0.01 0.00 0.02 0.00 0.00 41.25 39.61 1xxe s ASN 116 CO 0.03 0.33 0.07 0.00 0.02 0.00 0.00 177.10 177.55 1xxe n GLN 117 N 2.48 1.08 -3.39 -0.60 6.02 -0.16 -4.91 117.38 117.90 1xxe n GLN 117 Ca -0.18 -0.31 -0.26 0.00 -0.01 0.00 0.00 57.00 56.23 1xxe n GLN 117 Cb 0.53 -0.01 -0.08 0.00 1.02 0.00 0.00 30.24 31.71 1xxe n GLN 117 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1xxe n ASN 118 N -2.69 2.83 -3.63 1.08 2.85 -1.26 -4.57 115.26 109.87 1xxe n ASN 118 Ca 0.01 -3.24 -0.12 0.00 -0.11 0.00 0.00 54.58 51.12 1xxe n ASN 118 Cb 0.06 -0.67 -0.07 0.00 1.24 0.00 0.00 39.78 40.34 1xxe n ASN 118 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 1xxe s ARG 119 N -2.09 0.79 1.05 1.20 6.06 -1.26 -4.97 118.95 119.73 1xxe s ARG 119 Ca 0.38 1.02 -0.20 0.00 -2.50 0.00 0.00 55.73 54.43 1xxe s ARG 119 Cb 0.14 0.34 -0.00 0.00 0.06 0.00 0.00 34.95 35.49 1xxe s ARG 119 CO -0.04 -0.11 -0.38 -1.91 -2.50 0.00 0.00 175.30 170.36 1xxe n GLU 120 N 3.02 -0.85 -4.08 5.12 2.13 -1.26 -0.43 120.64 124.28 1xxe n GLU 120 Ca -0.15 -0.23 -0.27 0.00 0.66 0.00 0.00 57.16 57.17 1xxe n GLU 120 Cb 0.56 -1.49 -0.17 0.00 0.27 0.00 0.00 31.44 30.61 1xxe n GLU 120 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1xxe s ILE 121 N -2.18 1.13 -1.39 6.31 1.01 -1.26 -4.17 121.20 120.64 1xxe s ILE 121 Ca 0.50 -0.38 -0.15 0.00 0.00 0.00 0.00 60.65 60.61 1xxe s ILE 121 Cb -0.09 -1.11 0.03 0.00 0.01 0.00 0.00 42.46 41.31 1xxe s ILE 121 CO 0.68 0.38 2.12 -0.67 0.00 0.00 0.00 174.94 177.45 1xxe n ASP 122 N 4.65 3.98 -4.65 3.58 2.03 -1.26 -4.96 116.55 119.92 1xxe n ASP 122 Ca -0.16 -2.84 -0.39 0.00 0.52 0.00 0.00 54.79 51.92 1xxe n ASP 122 Cb 0.50 -1.65 0.04 0.00 -0.72 0.00 0.00 41.12 39.29 1xxe n ASP 122 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1xxe n TYR 123 N 6.69 1.29 -3.83 -0.67 4.02 -1.26 -4.71 117.16 118.69 1xxe n TYR 123 Ca 0.51 0.47 -0.36 0.00 -0.01 0.00 0.00 57.90 58.51 1xxe n TYR 123 Cb 0.40 -2.22 -0.12 0.00 -0.02 0.00 0.00 39.34 37.39 1xxe n TYR 123 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 176.86 175.97 1xxe s PHE 124 N -1.39 3.14 0.02 -0.72 2.19 0.55 -4.96 117.98 116.81 1xxe s PHE 124 Ca 0.71 -0.22 0.05 0.00 0.33 0.00 0.00 56.93 57.81 1xxe s PHE 124 Cb -0.46 -2.20 -0.02 0.00 -1.31 0.00 0.00 43.02 39.03 1xxe s PHE 124 CO 0.51 -0.19 -0.16 0.08 1.83 0.00 0.00 175.22 177.29 1xxe s VAL 125 N 1.26 1.30 0.12 3.12 1.01 -1.26 -0.17 120.40 125.77 1xxe s VAL 125 Ca 0.05 -0.93 -0.20 0.00 0.00 0.00 0.00 61.98 60.90 1xxe s VAL 125 Cb -0.14 -1.13 -0.07 0.00 0.00 0.00 0.00 36.38 35.04 1xxe s VAL 125 CO 0.04 0.18 0.63 -0.69 0.00 0.00 0.00 175.10 175.26 1xxe s VAL 126 N -0.66 4.65 0.00 2.92 1.01 -0.84 -4.93 120.40 122.55 1xxe s VAL 126 Ca 0.05 1.29 0.00 0.00 0.00 0.00 0.00 61.98 63.32 1xxe s VAL 126 Cb -0.07 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1xxe s VAL 126 CO 0.01 0.48 0.11 -0.62 0.00 0.00 0.00 175.10 175.08 1xxe n GLU 127 N 1.48 4.77 -3.88 2.72 1.02 -1.26 -4.25 120.64 121.23 1xxe n GLU 127 Ca -0.08 -0.11 -0.11 0.00 -0.02 0.00 0.00 57.16 56.84 1xxe n GLU 127 Cb 0.50 -0.59 -0.12 0.00 -0.02 0.00 0.00 31.44 31.21 1xxe n GLU 127 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1xxe s GLU 128 N -0.71 0.23 0.88 3.49 -1.05 -1.26 -4.83 118.70 115.44 1xxe s GLU 128 Ca 0.00 -0.15 -0.12 0.00 -0.15 0.00 0.00 54.97 54.55 1xxe s GLU 128 Cb 0.00 0.09 0.12 0.00 -0.44 0.00 0.00 34.13 33.91 1xxe s GLU 128 CO 0.00 -0.04 1.12 -1.25 0.95 0.00 0.00 175.26 176.03 1xxe s PRO 129 N -0.59 1.37 -0.24 -4.83 0.04 -1.26 -4.56 135.00 124.93 1xxe s PRO 129 Ca -0.07 0.45 -0.25 0.00 0.04 0.00 0.00 61.00 61.18 1xxe s PRO 129 Cb -0.04 -1.85 0.07 0.00 0.04 0.00 0.00 34.50 32.72 1xxe s PRO 129 CO 0.00 -2.07 0.71 -1.50 0.04 0.00 0.00 177.00 174.17 1xxe s ILE 130 N -3.19 0.00 -0.10 0.56 2.07 -0.83 -4.95 121.20 114.76 1xxe s ILE 130 Ca 0.63 -0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.86 1xxe s ILE 130 Cb -0.15 -0.99 0.03 0.00 0.13 0.00 0.00 42.46 41.47 1xxe s ILE 130 CO 0.54 -0.00 -0.05 -0.63 -1.91 0.00 0.00 174.94 172.89 1xxe s ILE 131 N 0.22 0.81 -0.18 2.00 1.01 -1.26 -0.72 121.20 123.07 1xxe s ILE 131 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.49 1xxe s ILE 131 Cb -0.04 -0.87 0.01 0.00 0.01 0.00 0.00 42.46 41.57 1xxe s ILE 131 CO 0.02 0.33 -0.17 0.68 0.00 0.00 0.00 174.94 175.80 1xxe s VAL 132 N 1.80 2.34 -0.08 2.92 -7.23 -0.61 -4.98 120.40 114.56 1xxe s VAL 132 Ca 0.05 -0.85 0.03 0.00 -1.81 0.00 0.00 61.98 59.40 1xxe s VAL 132 Cb -0.12 -2.00 -0.02 0.00 0.56 0.00 0.00 36.38 34.80 1xxe s VAL 132 CO -0.07 0.52 -0.15 -0.70 -0.31 0.00 0.00 175.10 174.39 1xxe s GLU 133 N 1.29 2.79 -0.23 4.82 2.12 -1.26 -1.75 118.70 126.47 1xxe s GLU 133 Ca 0.04 -0.71 -0.30 0.00 0.36 0.00 0.00 54.97 54.37 1xxe s GLU 133 Cb -0.13 -2.44 0.16 0.00 0.26 0.00 0.00 34.13 31.98 1xxe s GLU 133 CO -0.10 0.48 1.19 0.34 -0.54 0.00 0.00 175.26 176.63 1xxe s ASP 134 N -0.34 -0.19 -1.75 -1.70 -1.08 -0.66 -4.96 116.67 105.98 1xxe s ASP 134 Ca 0.03 0.21 0.00 0.00 -0.52 0.00 0.00 52.55 52.27 1xxe s ASP 134 Cb -0.13 0.16 0.00 0.00 -1.46 0.00 0.00 42.92 41.49 1xxe s ASP 134 CO 0.02 -0.18 0.00 -0.62 0.52 0.00 0.00 175.17 174.92 1xxe n GLU 135 N 0.61 -1.59 -0.98 4.34 4.71 -1.26 0.27 120.64 126.74 1xxe n GLU 135 Ca -0.05 0.98 0.00 0.00 -0.01 0.00 0.00 57.16 58.08 1xxe n GLU 135 Cb 0.58 -5.44 0.00 0.00 -1.01 0.00 0.00 31.44 25.57 1xxe n GLU 135 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xxe n GLY 136 N -0.58 0.53 3.88 0.62 0.00 -1.26 -5.00 105.19 103.37 1xxe n GLY 136 Ca -0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 1xxe n GLY 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xxe s ARG 137 N -0.26 2.52 -0.07 1.61 0.52 0.14 -4.97 118.95 118.46 1xxe s ARG 137 Ca 0.00 -1.55 -0.31 0.00 -0.52 0.00 0.00 55.73 53.35 1xxe s ARG 137 Cb 0.00 -2.37 0.07 0.00 0.52 0.00 0.00 34.95 33.17 1xxe s ARG 137 CO 0.00 -0.21 0.70 -1.17 0.02 0.00 0.00 175.30 174.64 1xxe s LEU 138 N -4.14 -0.65 -0.09 2.53 0.20 -1.02 -1.66 118.68 113.86 1xxe s LEU 138 Ca 0.48 0.74 -0.06 0.00 0.69 0.00 0.00 54.13 55.98 1xxe s LEU 138 Cb -0.03 2.50 0.03 0.00 -0.43 0.00 0.00 46.19 48.26 1xxe s LEU 138 CO 0.28 -0.58 0.22 -0.63 -0.29 0.00 0.00 176.35 175.34 1xxe s ILE 139 N -1.11 -0.02 -0.01 6.68 1.01 -0.72 -1.01 121.20 126.02 1xxe s ILE 139 Ca -0.10 0.07 0.06 0.00 0.00 0.00 0.00 60.65 60.69 1xxe s ILE 139 Cb -0.00 -0.32 -0.02 0.00 0.01 0.00 0.00 42.46 42.13 1xxe s ILE 139 CO 0.09 0.03 -0.21 -0.75 0.00 0.00 0.00 174.94 174.10 1xxe s LYS 140 N 0.64 1.65 0.01 2.79 2.20 -0.38 -1.58 119.74 125.07 1xxe s LYS 140 Ca -0.04 -0.76 0.08 0.00 -0.36 0.00 0.00 55.97 54.88 1xxe s LYS 140 Cb -0.06 -1.61 -0.02 0.00 -1.51 0.00 0.00 37.83 34.63 1xxe s LYS 140 CO -0.04 0.44 -0.23 0.00 -0.36 0.00 0.00 175.35 175.17 1xxe s ALA 141 N -0.52 1.93 -0.03 3.13 0.00 0.11 -0.32 121.76 126.06 1xxe s ALA 141 Ca 0.08 -1.06 -0.00 0.00 0.00 0.00 0.00 51.96 50.98 1xxe s ALA 141 Cb -0.08 -0.44 0.03 0.00 0.00 0.00 0.00 23.12 22.63 1xxe s ALA 141 CO -0.01 0.46 0.03 -2.00 0.00 0.00 0.00 175.76 174.25 1xxe s GLU 142 N -0.84 0.01 0.52 0.00 2.12 0.71 -1.96 118.70 119.26 1xxe s GLU 142 Ca 0.09 0.21 -0.19 0.00 0.36 0.00 0.00 54.97 55.44 1xxe s GLU 142 Cb -0.09 -0.34 -0.11 0.00 0.26 0.00 0.00 34.13 33.85 1xxe s GLU 142 CO 0.00 -0.20 0.40 -2.30 -0.54 0.00 0.00 175.26 172.63 1xxe n PRO 143 N 4.41 0.42 -3.55 4.30 -0.02 -1.26 -0.20 135.00 139.11 1xxe n PRO 143 Ca -0.23 0.16 -0.09 0.00 -2.02 0.00 0.00 63.50 61.32 1xxe n PRO 143 Cb 0.50 -1.52 -0.04 0.00 -0.02 0.00 0.00 33.50 32.42 1xxe n PRO 143 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1xxe s SER 144 N -1.09 -0.35 0.00 2.55 0.15 -1.26 -4.39 113.70 109.30 1xxe s SER 144 Ca 0.65 0.20 0.30 0.00 0.70 0.00 0.00 55.95 57.80 1xxe s SER 144 Cb -0.49 0.33 1.42 0.00 -1.71 0.00 0.00 66.02 65.57 1xxe s SER 144 CO 0.57 -0.46 1.96 0.47 1.20 0.00 0.00 173.24 176.99 1xxe n ASP 145 N 0.25 0.63 -4.06 5.45 8.00 -1.26 -3.76 116.55 121.80 1xxe n ASP 145 Ca -0.09 -1.03 -0.14 0.00 0.71 0.00 0.00 54.79 54.23 1xxe n ASP 145 Cb 0.60 -0.02 -0.12 0.00 -0.02 0.00 0.00 41.12 41.55 1xxe n ASP 145 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1xxe s THR 146 N -2.14 0.62 -0.27 -3.53 -4.23 -1.26 -4.91 115.64 99.92 1xxe s THR 146 Ca 0.39 -0.97 -0.25 0.00 -1.18 0.00 0.00 61.69 59.68 1xxe s THR 146 Cb 0.21 -0.65 0.00 0.00 1.34 0.00 0.00 72.50 73.41 1xxe s THR 146 CO 0.39 -0.26 0.88 -0.22 -0.54 0.00 0.00 174.62 174.87 1xxe s LEU 147 N -1.34 4.06 -0.01 4.79 2.96 -1.26 -2.89 118.68 125.00 1xxe s LEU 147 Ca -0.07 0.97 0.01 0.00 -0.22 0.00 0.00 54.13 54.83 1xxe s LEU 147 Cb -0.09 -3.25 0.00 0.00 0.50 0.00 0.00 46.19 43.35 1xxe s LEU 147 CO 0.01 -0.62 -0.03 -0.70 -1.32 0.00 0.00 176.35 173.68 1xxe s GLU 148 N 3.04 0.30 -0.06 1.98 2.12 -0.27 -3.06 118.70 122.75 1xxe s GLU 148 Ca 0.37 -0.11 -0.01 0.00 0.36 0.00 0.00 54.97 55.59 1xxe s GLU 148 Cb -0.14 -0.30 0.03 0.00 0.26 0.00 0.00 34.13 33.97 1xxe s GLU 148 CO 0.10 0.05 -0.01 0.08 -0.54 0.00 0.00 175.26 174.94 1xxe s VAL 149 N 0.04 0.39 -0.16 3.70 1.01 -0.76 -0.16 120.40 124.46 1xxe s VAL 149 Ca 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 61.98 62.01 1xxe s VAL 149 Cb -0.03 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.82 1xxe s VAL 149 CO -0.00 0.24 -0.05 -0.89 0.00 0.00 0.00 175.10 174.40 1xxe s THR 150 N 1.62 3.75 -0.09 3.92 2.01 0.33 -0.98 115.64 126.20 1xxe s THR 150 Ca -0.00 -0.41 0.04 0.00 0.31 0.00 0.00 61.69 61.63 1xxe s THR 150 Cb -0.13 -2.64 -0.00 0.00 0.01 0.00 0.00 72.50 69.74 1xxe s THR 150 CO -0.04 0.49 -0.23 -0.47 -0.69 0.00 0.00 174.62 173.69 1xxe s TYR 151 N 0.43 2.56 -0.34 4.92 5.04 -0.98 0.92 117.35 129.91 1xxe s TYR 151 Ca -0.05 -0.91 -0.00 0.00 -2.44 0.00 0.00 57.07 53.68 1xxe s TYR 151 Cb -0.14 -1.70 0.08 0.00 0.35 0.00 0.00 41.96 40.55 1xxe s TYR 151 CO 0.03 -0.34 0.06 -2.00 -1.34 0.00 0.00 175.55 171.96 1xxe s GLU 152 N 0.20 2.06 0.11 4.97 2.12 0.11 -1.75 118.70 126.52 1xxe s GLU 152 Ca -0.14 -1.58 -0.10 0.00 0.36 0.00 0.00 54.97 53.51 1xxe s GLU 152 Cb -0.17 -3.26 -0.06 0.00 0.26 0.00 0.00 34.13 30.90 1xxe s GLU 152 CO 0.07 -0.82 0.43 0.20 -0.54 0.00 0.00 175.26 174.60 1xxe s GLY 153 N 1.32 2.34 -0.60 -1.50 0.00 0.12 -1.44 107.32 107.55 1xxe s GLY 153 Ca 0.02 -0.36 0.04 0.00 0.00 0.00 0.00 44.72 44.42 1xxe s GLY 153 CO -0.04 -0.16 0.36 1.85 0.00 0.00 0.00 173.10 175.11 1xxe s GLU 154 N -2.10 2.21 0.18 2.90 -6.30 -1.26 -1.20 118.70 113.12 1xxe s GLU 154 Ca 0.36 -2.91 -0.10 0.00 -2.50 0.00 0.00 54.97 49.82 1xxe s GLU 154 Cb -0.14 -3.39 -0.07 0.00 0.00 0.00 0.00 34.13 30.54 1xxe s GLU 154 CO 0.19 -1.18 0.50 -0.06 0.02 0.00 0.00 175.26 174.73 1xxe s PHE 155 N -0.76 3.49 -1.92 5.30 0.08 0.36 -4.93 117.98 119.61 1xxe s PHE 155 Ca 0.20 0.85 0.24 0.00 0.12 0.00 0.00 56.93 58.34 1xxe s PHE 155 Cb -0.17 -2.23 0.25 0.00 -0.57 0.00 0.00 43.02 40.30 1xxe s PHE 155 CO -0.07 0.37 1.25 1.63 -0.10 0.00 0.00 175.22 178.30 1xxe n LYS 156 N 0.26 1.05 0.00 0.44 4.76 -1.26 -2.97 118.16 120.44 1xxe n LYS 156 Ca -0.02 -0.80 0.00 0.00 -2.87 0.00 0.00 58.31 54.62 1xxe n LYS 156 Cb 0.52 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 1xxe n LYS 156 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1xxe n ASN 157 N -0.28 -0.40 0.27 4.39 6.94 -1.26 -4.66 115.26 120.27 1xxe n ASN 157 Ca 0.10 -0.52 0.17 0.00 -0.02 0.00 0.00 54.58 54.31 1xxe n ASN 157 Cb 0.42 0.00 0.93 0.00 -2.36 0.00 0.00 39.78 38.77 1xxe n ASN 157 CO 0.00 0.00 0.00 2.19 -1.03 0.00 0.00 177.26 178.42 1xxe h PHE 158 N -1.00 0.00 0.00 -2.53 -0.00 -1.41 0.68 116.94 112.68 1xxe h PHE 158 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.97 57.85 1xxe h PHE 158 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 35.93 1xxe h PHE 158 CO 0.00 0.00 -0.57 -0.07 -0.00 0.00 0.00 178.31 177.67 1xxe h LEU 159 N 0.00 0.00 0.00 2.10 3.38 -1.87 -3.47 115.31 115.45 1xxe h LEU 159 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xxe h LEU 159 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1xxe h LEU 159 CO 0.00 0.57 0.00 0.61 0.09 0.00 0.00 178.44 179.71 1xxe n GLY 160 N 0.30 4.21 3.67 0.83 0.00 0.23 -4.50 105.19 109.92 1xxe n GLY 160 Ca -0.01 0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1xxe n GLY 160 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xxe s ARG 161 N 0.00 2.91 0.08 1.61 0.52 -1.25 0.13 118.95 122.95 1xxe s ARG 161 Ca 0.00 -0.46 -0.13 0.00 -0.52 0.00 0.00 55.73 54.62 1xxe s ARG 161 Cb 0.00 -2.74 0.02 0.00 0.52 0.00 0.00 34.95 32.75 1xxe s ARG 161 CO 0.00 0.69 0.29 -1.14 0.02 0.00 0.00 175.30 175.15 1xxe s GLN 162 N -0.97 0.88 0.01 3.54 2.00 -0.34 -4.94 119.66 119.84 1xxe s GLN 162 Ca 0.14 -0.71 -0.13 0.00 -2.00 0.00 0.00 55.36 52.66 1xxe s GLN 162 Cb -0.11 0.38 0.02 0.00 0.80 0.00 0.00 33.01 34.09 1xxe s GLN 162 CO 0.03 -0.30 0.29 -1.59 -0.50 0.00 0.00 175.29 173.22 1xxe s LYS 163 N -3.30 0.70 -0.03 1.67 -2.85 -1.26 0.10 119.74 114.78 1xxe s LYS 163 Ca 0.00 -0.33 0.00 0.00 -1.00 0.00 0.00 55.97 54.64 1xxe s LYS 163 Cb 0.02 0.30 0.03 0.00 -2.06 0.00 0.00 37.83 36.12 1xxe s LYS 163 CO -0.08 -0.20 0.01 0.12 0.10 0.00 0.00 175.35 175.29 1xxe s PHE 164 N -1.78 0.24 -0.24 1.78 5.36 -0.72 -4.98 117.98 117.64 1xxe s PHE 164 Ca -0.11 0.03 -0.09 0.00 -0.96 0.00 0.00 56.93 55.80 1xxe s PHE 164 Cb -0.04 -0.36 -0.04 0.00 -0.34 0.00 0.00 43.02 42.24 1xxe s PHE 164 CO 0.01 -0.11 0.13 -0.08 -1.46 0.00 0.00 175.22 173.71 1xxe s THR 165 N 0.98 5.01 -0.17 0.12 -1.32 -1.26 -2.31 115.64 116.69 1xxe s THR 165 Ca -0.09 0.06 -0.10 0.00 -1.21 0.00 0.00 61.69 60.34 1xxe s THR 165 Cb -0.13 -3.34 -0.05 0.00 -1.51 0.00 0.00 72.50 67.48 1xxe s THR 165 CO -0.02 0.34 0.17 0.12 -2.21 0.00 0.00 174.62 173.02 1xxe s PHE 166 N 1.25 3.48 0.05 9.09 5.36 -0.15 -4.97 117.98 132.08 1xxe s PHE 166 Ca 0.06 0.45 0.04 0.00 -0.96 0.00 0.00 56.93 56.52 1xxe s PHE 166 Cb -0.14 -2.15 -0.02 0.00 -0.34 0.00 0.00 43.02 40.37 1xxe s PHE 166 CO 0.05 0.40 -0.13 0.08 -1.46 0.00 0.00 175.22 174.17 1xxe s VAL 167 N 0.00 0.99 -0.12 3.12 1.01 -1.26 -1.83 120.40 122.30 1xxe s VAL 167 Ca 0.12 -1.08 -0.37 0.00 0.00 0.00 0.00 61.98 60.65 1xxe s VAL 167 Cb -0.12 -0.93 -0.14 0.00 0.00 0.00 0.00 36.38 35.19 1xxe s VAL 167 CO 0.01 -0.13 1.74 -0.62 0.00 0.00 0.00 175.10 176.10 1xxe n GLU 168 N 1.67 1.67 0.00 2.72 1.02 -1.17 -1.40 120.64 125.15 1xxe n GLU 168 Ca -0.20 0.61 0.00 0.00 -0.02 0.00 0.00 57.16 57.55 1xxe n GLU 168 Cb 0.55 -2.36 0.00 0.00 -0.02 0.00 0.00 31.44 29.60 1xxe n GLU 168 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xxe n GLY 169 N 4.03 1.70 1.01 0.62 0.00 -1.26 -4.94 105.19 106.36 1xxe n GLY 169 Ca 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.23 1xxe n GLY 169 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xxe n ASN 170 N 0.00 2.48 -0.32 1.61 4.13 -0.49 -4.75 115.26 117.92 1xxe n ASN 170 Ca 0.00 -3.85 -0.00 0.00 1.68 0.00 0.00 54.58 52.41 1xxe n ASN 170 Cb 0.00 -0.56 0.17 0.00 -1.54 0.00 0.00 39.78 37.86 1xxe n ASN 170 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 1xxe h GLU 171 N 1.16 1.18 0.00 3.52 5.08 -1.92 -1.77 114.58 121.83 1xxe h GLU 171 Ca 0.14 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1xxe h GLU 171 Cb 1.30 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1xxe h GLU 171 CO 0.27 0.78 0.28 0.39 -1.00 0.00 0.00 179.01 179.72 1xxe n GLU 172 N -4.41 0.09 0.00 2.33 4.71 -1.26 0.10 120.64 122.20 1xxe n GLU 172 Ca 0.11 0.57 0.12 0.00 -0.01 0.00 0.00 57.16 57.95 1xxe n GLU 172 Cb 0.05 -2.07 0.22 0.00 -1.01 0.00 0.00 31.44 28.62 1xxe n GLU 172 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1xxe n GLU 173 N -2.05 1.18 0.00 3.49 1.02 -0.66 -4.24 120.64 119.38 1xxe n GLU 173 Ca -0.01 -0.85 0.00 0.00 -0.02 0.00 0.00 57.16 56.28 1xxe n GLU 173 Cb 0.30 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 1xxe n GLU 173 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1xxe n ILE 174 N -0.17 0.00 -0.03 -3.67 -5.35 0.12 -4.61 119.36 105.65 1xxe n ILE 174 Ca 0.12 -0.47 -0.06 0.00 -0.27 0.00 0.00 62.75 62.06 1xxe n ILE 174 Cb 0.42 1.01 -0.13 0.00 -1.74 0.00 0.00 39.64 39.20 1xxe n ILE 174 CO 0.00 0.00 0.00 1.33 -1.76 0.00 0.00 176.55 176.12 1xxe n VAL 175 N -0.73 1.42 1.45 7.28 0.24 -1.04 -4.05 118.33 122.89 1xxe n VAL 175 Ca 0.00 -0.78 0.13 0.00 -2.04 0.00 0.00 64.34 61.65 1xxe n VAL 175 Cb 0.00 -0.82 0.50 0.00 -1.47 0.00 0.00 33.84 32.05 1xxe n VAL 175 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1xxe n LEU 176 N -2.92 1.48 -4.66 1.34 4.77 -1.26 -2.26 117.00 113.48 1xxe n LEU 176 Ca -0.18 -0.53 -0.43 0.00 -0.03 0.00 0.00 56.01 54.84 1xxe n LEU 176 Cb 1.01 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 42.05 1xxe n LEU 176 CO 0.44 0.27 0.94 0.00 -1.33 0.00 0.00 177.39 177.71 1xxe s ALA 177 N -1.94 3.66 0.33 -1.18 0.00 -1.26 -4.92 121.76 116.45 1xxe s ALA 177 Ca 0.37 0.17 -0.12 0.00 0.00 0.00 0.00 51.96 52.38 1xxe s ALA 177 Cb 0.20 -3.58 -0.08 0.00 0.00 0.00 0.00 23.12 19.67 1xxe s ALA 177 CO 0.32 -1.13 0.70 1.03 0.00 0.00 0.00 175.76 176.67 1xxe s ARG 178 N 3.31 3.88 0.96 0.00 0.52 -1.26 -4.50 118.95 121.85 1xxe s ARG 178 Ca 0.45 0.50 -0.13 0.00 -0.52 0.00 0.00 55.73 56.03 1xxe s ARG 178 Cb -0.15 -2.47 0.05 0.00 0.52 0.00 0.00 34.95 32.89 1xxe s ARG 178 CO 0.08 0.14 0.46 -2.37 0.02 0.00 0.00 175.30 173.63 1xxe n THR 179 N -0.62 0.00 -4.16 0.02 5.66 -0.51 -4.80 114.28 109.87 1xxe n THR 179 Ca 0.02 -0.18 -0.11 0.00 -3.05 0.00 0.00 64.05 60.73 1xxe n THR 179 Cb 0.53 -0.66 -0.09 0.00 -1.55 0.00 0.00 70.33 68.56 1xxe n THR 179 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1xxe s PHE 180 N -2.41 1.00 0.13 1.09 -0.71 -1.26 -2.30 117.98 113.52 1xxe s PHE 180 Ca 0.58 -1.26 -0.24 0.00 -1.04 0.00 0.00 56.93 54.97 1xxe s PHE 180 Cb -0.21 -0.42 0.07 0.00 -1.21 0.00 0.00 43.02 41.25 1xxe s PHE 180 CO 0.67 -0.70 0.64 0.00 -1.34 0.00 0.00 175.22 174.49 1xxe s PHE 182 N -3.58 3.31 0.30 0.00 0.40 -1.26 0.26 117.98 117.41 1xxe s PHE 182 Ca 0.01 0.21 0.37 0.00 -0.60 0.00 0.00 56.93 56.92 1xxe s PHE 182 Cb -0.01 -1.74 1.85 0.00 0.51 0.00 0.00 43.02 43.63 1xxe s PHE 182 CO -0.12 0.56 2.12 0.38 0.70 0.00 0.00 175.22 178.86 1xxe h ASP 183 N 3.97 0.00 0.99 1.36 2.03 -1.84 -1.91 116.42 121.01 1xxe h ASP 183 Ca -0.49 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 55.61 1xxe h ASP 183 Cb 1.18 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.65 1xxe h ASP 183 CO 0.64 0.00 -0.97 4.11 -1.03 0.00 0.00 179.24 181.99 1xxe h TRP 184 N 0.00 0.00 0.00 4.15 0.09 -1.94 -3.29 115.95 114.96 1xxe h TRP 184 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1xxe h TRP 184 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.42 1xxe h TRP 184 CO 0.00 0.97 -1.05 -0.85 0.09 0.00 0.00 178.44 177.60 1xxe n GLU 185 N -3.37 0.11 0.14 0.12 -0.00 -0.98 -4.39 120.64 112.27 1xxe n GLU 185 Ca -0.00 -0.02 -0.13 0.00 -0.00 0.00 0.00 57.16 57.00 1xxe n GLU 185 Cb 0.92 -1.51 -0.07 0.00 -0.00 0.00 0.00 31.44 30.78 1xxe n GLU 185 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1xxe h ILE 186 N 0.00 0.69 -0.46 3.84 2.04 -1.43 -1.54 117.51 120.66 1xxe h ILE 186 Ca 0.00 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 1xxe h ILE 186 Cb 0.58 0.69 -0.09 0.00 -0.74 0.00 0.00 36.82 37.27 1xxe h ILE 186 CO 0.00 0.00 -0.10 -0.33 0.00 0.00 0.00 178.15 177.72 1xxe h GLU 187 N -0.33 0.01 -0.11 2.37 5.08 -1.77 0.25 114.58 120.08 1xxe h GLU 187 Ca -0.01 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 1xxe h GLU 187 Cb 0.30 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 1xxe h GLU 187 CO -0.01 0.01 -0.21 0.45 -1.00 0.00 0.00 179.01 178.26 1xxe h HIS 188 N 0.01 -0.54 -0.58 4.33 3.86 -1.72 0.48 115.15 121.00 1xxe h HIS 188 Ca 0.22 0.03 0.08 0.00 -1.16 0.00 0.00 60.37 59.54 1xxe h HIS 188 Cb 0.34 0.26 -0.03 0.00 1.06 0.00 0.00 27.41 29.03 1xxe h HIS 188 CO -0.38 -0.28 0.39 0.82 0.86 0.00 0.00 177.93 179.33 1xxe h ILE 189 N -0.27 0.94 0.00 2.45 2.04 -0.19 0.69 117.51 123.17 1xxe h ILE 189 Ca 0.09 -0.16 -0.09 0.00 1.00 0.00 0.00 64.86 65.70 1xxe h ILE 189 Cb 0.41 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1xxe h ILE 189 CO -0.27 0.09 -0.44 0.11 0.00 0.00 0.00 178.15 177.63 1xxe h LYS 190 N 0.47 0.00 0.00 2.37 1.79 0.20 -2.07 116.57 119.32 1xxe h LYS 190 Ca 0.26 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.63 1xxe h LYS 190 Cb 0.42 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.05 1xxe h LYS 190 CO -0.07 0.44 -0.50 0.87 -1.08 0.00 0.00 179.45 179.11 1xxe h LYS 191 N 0.00 0.00 -0.55 3.15 1.79 0.22 -2.99 116.57 118.19 1xxe h LYS 191 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1xxe h LYS 191 Cb 1.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 1xxe h LYS 191 CO 0.06 0.50 0.00 1.33 -1.08 0.00 0.00 179.45 180.26 1xxe n VAL 192 N -3.35 0.63 -1.89 0.50 0.24 -0.88 -4.85 118.33 108.72 1xxe n VAL 192 Ca 0.01 -0.40 -0.09 0.00 -2.04 0.00 0.00 64.34 61.82 1xxe n VAL 192 Cb 0.67 -0.13 -0.02 0.00 -1.47 0.00 0.00 33.84 32.89 1xxe n VAL 192 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xxe n GLY 193 N 0.55 0.33 3.47 7.63 0.00 -1.13 -5.02 105.19 111.03 1xxe n GLY 193 Ca 0.09 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.31 1xxe n GLY 193 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xxe s LEU 194 N -2.45 2.60 -0.18 0.99 1.43 -0.79 -4.70 118.68 115.59 1xxe s LEU 194 Ca 0.00 -0.91 0.00 0.00 -1.03 0.00 0.00 54.13 52.19 1xxe s LEU 194 Cb 0.00 -1.21 0.00 0.00 0.03 0.00 0.00 46.19 45.01 1xxe s LEU 194 CO 0.00 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.26 1xxe n GLY 195 N -0.26 0.43 0.28 -3.19 0.00 -1.25 -3.73 105.19 97.47 1xxe n GLY 195 Ca -0.08 -0.93 0.17 0.00 0.00 0.00 0.00 46.02 45.18 1xxe n GLY 195 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xxe h LYS 196 N 0.00 0.00 -0.01 1.61 1.57 -1.24 -2.17 116.57 116.32 1xxe h LYS 196 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1xxe h LYS 196 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1xxe h LYS 196 CO 0.05 0.04 -0.69 0.41 -0.57 0.00 0.00 179.45 178.69 1xxe n GLY 197 N -0.11 -0.42 3.69 3.86 0.00 1.11 -4.57 105.19 108.74 1xxe n GLY 197 Ca -0.00 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1xxe n GLY 197 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xxe s GLY 198 N -2.60 1.48 0.20 -0.02 0.00 0.14 -4.62 107.32 101.90 1xxe s GLY 198 Ca 0.12 1.28 -0.02 0.00 0.00 0.00 0.00 44.72 46.11 1xxe s GLY 198 CO 0.67 3.01 0.15 -1.35 0.00 0.00 0.00 173.10 175.58 1xxe s SER 199 N 2.66 0.14 0.00 1.64 1.04 -1.26 -5.01 113.70 112.91 1xxe s SER 199 Ca 0.77 -1.35 0.21 0.00 0.48 0.00 0.00 55.95 56.06 1xxe s SER 199 Cb -0.42 0.39 1.06 0.00 0.10 0.00 0.00 66.02 67.16 1xxe s SER 199 CO 0.34 -0.86 1.67 0.18 0.98 0.00 0.00 173.24 175.55 1xxe n LEU 200 N -0.27 0.00 -0.25 2.42 4.77 -1.26 -0.81 117.00 121.59 1xxe n LEU 200 Ca 0.01 0.28 0.13 0.00 -0.03 0.00 0.00 56.01 56.41 1xxe n LEU 200 Cb 0.66 -0.28 0.40 0.00 -2.33 0.00 0.00 43.42 41.86 1xxe n LEU 200 CO 0.32 -0.09 0.68 1.17 -1.33 0.00 0.00 177.39 178.14 1xxe n LYS 201 N -1.28 0.88 -0.42 3.23 4.81 -1.26 -4.21 118.16 119.89 1xxe n LYS 201 Ca 0.10 -0.50 0.00 0.00 -0.87 0.00 0.00 58.31 57.04 1xxe n LYS 201 Cb 0.17 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.73 1xxe n LYS 201 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1xxe n ASN 202 N -0.62 0.00 -3.70 3.14 3.02 -0.97 -4.72 115.26 111.41 1xxe n ASN 202 Ca 0.13 -1.29 -0.11 0.00 -0.03 0.00 0.00 54.58 53.27 1xxe n ASN 202 Cb 0.34 -0.06 -0.12 0.00 -0.61 0.00 0.00 39.78 39.34 1xxe n ASN 202 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1xxe s THR 203 N 0.00 -0.10 -0.38 3.41 2.01 0.01 -4.18 115.64 116.41 1xxe s THR 203 Ca 0.00 0.13 -0.20 0.00 0.31 0.00 0.00 61.69 61.93 1xxe s THR 203 Cb 0.00 -0.53 0.01 0.00 0.01 0.00 0.00 72.50 71.99 1xxe s THR 203 CO 0.00 0.05 0.63 -0.22 -0.69 0.00 0.00 174.62 174.40 1xxe s LEU 204 N 1.51 4.33 -0.22 4.42 2.96 -0.97 -4.40 118.68 126.31 1xxe s LEU 204 Ca -0.08 -0.01 -0.10 0.00 -0.22 0.00 0.00 54.13 53.73 1xxe s LEU 204 Cb -0.10 -2.76 -0.05 0.00 0.50 0.00 0.00 46.19 43.78 1xxe s LEU 204 CO -0.11 -0.65 0.13 -0.69 -1.32 0.00 0.00 176.35 173.71 1xxe s VAL 205 N 2.74 5.25 0.02 1.68 1.01 -1.26 0.16 120.40 130.00 1xxe s VAL 205 Ca 0.24 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1xxe s VAL 205 Cb -0.14 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 1xxe s VAL 205 CO 0.16 0.40 0.10 -0.76 0.00 0.00 0.00 175.10 175.00 1xxe s LEU 206 N 0.70 3.94 0.27 3.92 1.43 0.14 -2.77 118.68 126.32 1xxe s LEU 206 Ca 0.07 0.13 0.07 0.00 -1.03 0.00 0.00 54.13 53.38 1xxe s LEU 206 Cb -0.12 -2.40 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 1xxe s LEU 206 CO 0.01 0.24 0.20 -0.83 0.23 0.00 0.00 176.35 176.21 1xxe s GLY 207 N -1.96 1.52 0.56 -3.19 0.00 0.22 -2.37 107.32 102.10 1xxe s GLY 207 Ca 0.26 -1.49 0.30 0.00 0.00 0.00 0.00 44.72 43.78 1xxe s GLY 207 CO 0.17 -1.51 1.87 0.50 0.00 0.00 0.00 173.10 174.13 1xxe h LYS 208 N 1.46 0.00 0.00 2.90 1.57 -1.98 -3.18 116.57 117.35 1xxe h LYS 208 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1xxe h LYS 208 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1xxe h LYS 208 CO 0.60 0.00 -0.06 -0.40 -0.57 0.00 0.00 179.45 179.03 1xxe n ASP 209 N -3.99 0.00 -3.94 0.86 5.68 -1.26 -1.23 116.55 112.66 1xxe n ASP 209 Ca 0.15 -1.11 -0.10 0.00 -0.50 0.00 0.00 54.79 53.23 1xxe n ASP 209 Cb 0.87 -0.02 -0.11 0.00 -1.14 0.00 0.00 41.12 40.72 1xxe n ASP 209 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1xxe s LYS 210 N 0.00 0.33 -0.21 0.11 2.47 -1.20 -4.98 119.74 116.26 1xxe s LYS 210 Ca 0.00 -0.51 -0.09 0.00 -1.56 0.00 0.00 55.97 53.80 1xxe s LYS 210 Cb 0.00 0.13 -0.05 0.00 -1.46 0.00 0.00 37.83 36.45 1xxe s LYS 210 CO 0.00 -0.06 0.12 0.08 0.16 0.00 0.00 175.35 175.65 1xxe s VAL 211 N -1.34 5.19 -0.04 4.02 1.01 -1.26 0.73 120.40 128.71 1xxe s VAL 211 Ca -0.15 0.12 -0.21 0.00 0.00 0.00 0.00 61.98 61.74 1xxe s VAL 211 Cb -0.09 -3.38 -0.16 0.00 0.00 0.00 0.00 36.38 32.75 1xxe s VAL 211 CO -0.00 0.41 0.91 1.88 0.00 0.00 0.00 175.10 178.30 1xxe h TYR 212 N 7.00 -0.22 -2.73 5.22 -1.99 -1.87 -3.44 116.97 118.94 1xxe h TYR 212 Ca -0.39 -0.01 -0.59 0.00 2.00 0.00 0.00 58.73 59.75 1xxe h TYR 212 Cb 1.16 0.07 0.10 0.00 2.00 0.00 0.00 36.73 40.06 1xxe h TYR 212 CO 0.61 0.21 0.44 0.09 -0.00 0.00 0.00 178.16 179.51 1xxe n ASN 213 N -4.94 2.29 0.01 3.88 5.03 -1.26 -4.89 115.26 115.39 1xxe n ASN 213 Ca -0.08 1.17 -0.11 0.00 0.87 0.00 0.00 54.58 56.43 1xxe n ASN 213 Cb 0.26 -1.39 0.03 0.00 -1.02 0.00 0.00 39.78 37.66 1xxe n ASN 213 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 1xxe h PRO 214 N 3.19 0.54 0.00 3.52 0.13 -1.97 -2.96 132.00 134.45 1xxe h PRO 214 Ca -0.44 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.31 1xxe h PRO 214 Cb 1.30 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1xxe h PRO 214 CO 0.68 1.00 0.00 -1.91 -0.23 0.00 0.00 178.00 177.55 1xxe n GLU 215 N -3.92 0.29 0.00 0.86 2.13 -1.26 -4.97 120.64 113.77 1xxe n GLU 215 Ca -0.04 0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.89 1xxe n GLU 215 Cb 0.66 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.87 1xxe n GLU 215 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xxe n GLY 216 N 0.01 -0.56 3.80 8.31 0.00 -1.12 -4.76 105.19 110.87 1xxe n GLY 216 Ca 0.08 -1.11 -0.36 0.00 0.00 0.00 0.00 46.02 44.63 1xxe n GLY 216 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xxe s LEU 217 N 0.00 4.31 0.33 0.99 1.43 -1.26 -4.93 118.68 119.55 1xxe s LEU 217 Ca 0.00 1.58 0.24 0.00 -1.03 0.00 0.00 54.13 54.92 1xxe s LEU 217 Cb 0.00 -3.81 0.50 0.00 0.03 0.00 0.00 46.19 42.91 1xxe s LEU 217 CO 0.00 -0.03 1.64 -0.09 0.23 0.00 0.00 176.35 178.09 1xxe h ARG 218 N 3.20 0.00 -3.79 1.70 2.43 -1.98 -3.46 114.38 112.47 1xxe h ARG 218 Ca -0.48 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.61 1xxe h ARG 218 Cb 1.19 0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 30.62 1xxe h ARG 218 CO 0.65 0.00 -0.27 0.71 -1.51 0.00 0.00 179.97 179.55 1xxe s TYR 219 N -3.17 0.30 -0.59 2.20 2.02 -1.26 -4.97 117.35 111.89 1xxe s TYR 219 Ca 0.08 -0.67 0.24 0.00 -0.37 0.00 0.00 57.07 56.35 1xxe s TYR 219 Cb 0.08 0.01 0.93 0.00 -0.40 0.00 0.00 41.96 42.58 1xxe s TYR 219 CO 0.65 -0.74 1.72 -1.91 -1.57 0.00 0.00 175.55 173.70 1xxe n GLU 220 N -0.23 0.20 -1.82 -0.62 2.13 -1.26 -3.02 120.64 116.02 1xxe n GLU 220 Ca -0.08 0.35 0.01 0.00 0.66 0.00 0.00 57.16 58.10 1xxe n GLU 220 Cb 0.63 -1.83 0.05 0.00 0.27 0.00 0.00 31.44 30.57 1xxe n GLU 220 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1xxe n ASN 221 N -2.19 1.59 -0.33 4.31 3.02 -1.26 -4.89 115.26 115.52 1xxe n ASN 221 Ca 0.03 -2.41 0.06 0.00 -0.03 0.00 0.00 54.58 52.24 1xxe n ASN 221 Cb 0.28 -0.39 0.25 0.00 -0.61 0.00 0.00 39.78 39.31 1xxe n ASN 221 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1xxe h GLU 222 N 1.58 0.96 -0.21 3.52 4.81 -1.91 0.27 114.58 123.60 1xxe h GLU 222 Ca -0.12 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 58.88 1xxe h GLU 222 Cb 1.56 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.73 1xxe h GLU 222 CO 0.16 0.63 -0.53 -1.35 -0.73 0.00 0.00 179.01 177.20 1xxe h PRO 223 N 0.99 0.73 0.00 0.92 0.11 -1.87 -2.21 132.00 130.66 1xxe h PRO 223 Ca 0.44 -0.50 -0.11 0.00 0.11 0.00 0.00 66.00 65.94 1xxe h PRO 223 Cb 0.38 0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 1xxe h PRO 223 CO -0.20 1.12 -0.53 -0.39 -0.21 0.00 0.00 178.00 177.79 1xxe h VAL 224 N 0.44 0.96 -0.51 3.15 -1.51 -1.87 -2.65 116.25 114.27 1xxe h VAL 224 Ca -0.01 -2.21 -0.10 0.00 -1.23 0.00 0.00 66.70 63.16 1xxe h VAL 224 Cb 1.14 2.37 -0.02 0.00 -2.13 0.00 0.00 31.29 32.66 1xxe h VAL 224 CO 0.11 0.52 -0.05 0.03 -1.23 0.00 0.00 177.57 176.95 1xxe h ARG 225 N 0.00 0.94 -0.50 5.19 3.08 -0.43 -2.01 114.38 120.65 1xxe h ARG 225 Ca -0.01 -0.33 -0.06 0.00 0.07 0.00 0.00 59.98 59.66 1xxe h ARG 225 Cb 1.33 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 31.29 1xxe h ARG 225 CO 0.07 0.98 0.09 1.25 -1.07 0.00 0.00 179.97 181.29 1xxe h HIS 226 N 0.80 0.87 -0.31 3.04 2.76 -1.31 -1.63 115.15 119.37 1xxe h HIS 226 Ca 0.14 -0.12 0.04 0.00 -2.20 0.00 0.00 60.37 58.23 1xxe h HIS 226 Cb 0.59 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 29.28 1xxe h HIS 226 CO 0.04 0.79 0.07 -0.22 -1.30 0.00 0.00 177.93 177.32 1xxe h LYS 227 N 0.70 0.19 -0.64 5.26 1.63 -1.20 0.12 116.57 122.62 1xxe h LYS 227 Ca 0.15 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.97 1xxe h LYS 227 Cb 0.39 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.93 1xxe h LYS 227 CO 0.01 0.12 0.40 0.28 -3.45 0.00 0.00 179.45 176.81 1xxe h VAL 228 N 0.19 1.08 -0.77 2.00 2.07 -1.17 0.20 116.25 119.85 1xxe h VAL 228 Ca 0.14 -0.27 0.06 0.00 0.82 0.00 0.00 66.70 67.45 1xxe h VAL 228 Cb 0.14 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.10 1xxe h VAL 228 CO -0.18 0.14 0.51 0.15 0.02 0.00 0.00 177.57 178.21 1xxe h PHE 229 N 0.78 0.85 -0.11 1.57 3.57 -0.27 -1.93 116.94 121.40 1xxe h PHE 229 Ca 0.26 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.63 1xxe h PHE 229 Cb 0.02 -0.28 0.01 0.00 2.79 0.00 0.00 35.95 38.49 1xxe h PHE 229 CO -0.05 0.46 -0.53 -0.44 -2.23 0.00 0.00 178.31 175.52 1xxe h ASP 230 N 0.85 0.66 -0.65 0.41 5.19 0.93 -2.53 116.42 121.28 1xxe h ASP 230 Ca 0.33 -0.64 0.10 0.00 -0.62 0.00 0.00 57.03 56.20 1xxe h ASP 230 Cb 0.20 -0.20 -0.04 0.00 0.18 0.00 0.00 39.33 39.47 1xxe h ASP 230 CO -0.11 1.19 0.43 0.25 -3.12 0.00 0.00 179.24 177.88 1xxe h LEU 231 N 0.18 0.43 -0.04 1.55 5.85 0.06 -1.07 115.31 122.27 1xxe h LEU 231 Ca -0.03 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 1xxe h LEU 231 Cb 1.17 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1xxe h LEU 231 CO 0.11 0.26 -0.13 0.40 -0.34 0.00 0.00 178.44 178.74 1xxe h ILE 232 N 0.48 1.47 -1.05 4.05 2.04 -1.35 -2.05 117.51 121.09 1xxe h ILE 232 Ca 0.30 -1.57 0.28 0.00 1.00 0.00 0.00 64.86 64.87 1xxe h ILE 232 Cb 0.54 2.41 -0.08 0.00 -0.74 0.00 0.00 36.82 38.95 1xxe h ILE 232 CO -0.09 0.43 0.70 1.23 0.00 0.00 0.00 178.15 180.41 1xxe h GLY 233 N -0.41 0.88 1.73 5.37 0.00 -0.79 0.46 103.07 110.31 1xxe h GLY 233 Ca -0.01 -0.15 -0.17 0.00 0.00 0.00 0.00 47.33 47.01 1xxe h GLY 233 CO 0.03 -0.09 -0.92 -0.55 0.00 0.00 0.00 176.54 175.00 1xxe h ASP 234 N 0.29 0.00 1.62 0.19 3.32 -1.16 -3.29 116.42 117.39 1xxe h ASP 234 Ca 0.57 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.54 1xxe h ASP 234 Cb 1.64 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.18 1xxe h ASP 234 CO -0.21 0.72 -0.37 -0.07 -1.72 0.00 0.00 179.24 177.58 1xxe h LEU 235 N 0.00 0.00 0.00 1.55 3.38 0.53 -3.03 115.31 117.75 1xxe h LEU 235 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1xxe h LEU 235 Cb 1.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.35 1xxe h LEU 235 CO 0.08 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.99 1xxe n TYR 236 N -3.20 0.00 0.02 1.13 9.36 0.15 -2.92 117.16 121.70 1xxe n TYR 236 Ca 0.02 0.00 0.22 0.00 3.32 0.00 0.00 57.90 61.46 1xxe n TYR 236 Cb 0.68 -0.29 0.73 0.00 -0.63 0.00 0.00 39.34 39.83 1xxe n TYR 236 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1xxe h LEU 237 N 0.00 0.00 0.00 2.98 3.38 -1.67 0.35 115.31 120.35 1xxe h LEU 237 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xxe h LEU 237 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1xxe h LEU 237 CO 0.00 0.00 0.17 0.18 0.09 0.00 0.00 178.44 178.88 1xxe n LEU 238 N -4.03 0.00 -0.03 1.67 4.77 -1.15 -3.73 117.00 114.50 1xxe n LEU 238 Ca 0.10 0.33 -0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1xxe n LEU 238 Cb 0.67 -0.33 -0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1xxe n LEU 238 CO 0.33 -0.33 -0.00 0.61 -1.33 0.00 0.00 177.39 176.66 1xxe n GLY 239 N -1.33 0.46 3.43 -0.72 0.00 0.12 -4.99 105.19 102.17 1xxe n GLY 239 Ca 0.00 -0.17 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 1xxe n GLY 239 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xxe s SER 240 N -2.17 -0.52 0.25 1.61 1.04 -1.25 -4.91 113.70 107.76 1xxe s SER 240 Ca 0.00 0.57 -0.29 0.00 0.48 0.00 0.00 55.95 56.71 1xxe s SER 240 Cb 0.00 0.53 -0.15 0.00 0.10 0.00 0.00 66.02 66.50 1xxe s SER 240 CO 0.00 -0.53 0.99 -2.65 0.98 0.00 0.00 173.24 172.04 1xxe n PRO 241 N 1.18 1.14 -4.18 4.02 -0.02 -1.26 -4.58 135.00 131.30 1xxe n PRO 241 Ca -0.19 0.40 -0.35 0.00 -2.02 0.00 0.00 63.50 61.34 1xxe n PRO 241 Cb 0.57 -1.76 -0.09 0.00 -0.02 0.00 0.00 33.50 32.19 1xxe n PRO 241 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xxe s VAL 242 N -0.82 4.63 -0.10 -1.45 1.01 -1.26 -0.33 120.40 122.10 1xxe s VAL 242 Ca 0.63 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.53 1xxe s VAL 242 Cb -0.77 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 32.61 1xxe s VAL 242 CO 0.57 0.56 -0.17 -0.75 0.00 0.00 0.00 175.10 175.31 1xxe s LYS 243 N -0.45 2.34 0.00 2.72 2.47 0.76 -4.70 119.74 122.88 1xxe s LYS 243 Ca 0.09 -0.62 0.00 0.00 -1.56 0.00 0.00 55.97 53.88 1xxe s LYS 243 Cb -0.12 -1.89 0.00 0.00 -1.46 0.00 0.00 37.83 34.36 1xxe s LYS 243 CO 0.02 0.03 0.00 0.41 0.16 0.00 0.00 175.35 175.97 1xxe n GLY 244 N 3.92 0.11 3.34 5.54 0.00 -1.14 -1.98 105.19 114.98 1xxe n GLY 244 Ca -0.20 -1.34 -0.38 0.00 0.00 0.00 0.00 46.02 44.09 1xxe n GLY 244 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xxe s LYS 245 N -1.91 2.94 0.09 1.61 2.20 0.72 -1.11 119.74 124.28 1xxe s LYS 245 Ca 0.00 -0.97 0.06 0.00 -0.36 0.00 0.00 55.97 54.70 1xxe s LYS 245 Cb 0.00 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 32.79 1xxe s LYS 245 CO 0.00 -0.55 -0.09 -0.06 -0.36 0.00 0.00 175.35 174.29 1xxe s PHE 246 N 1.50 2.76 0.03 4.03 0.40 0.78 -0.21 117.98 127.27 1xxe s PHE 246 Ca 0.02 -0.14 0.05 0.00 -0.60 0.00 0.00 56.93 56.26 1xxe s PHE 246 Cb -0.18 -1.46 -0.02 0.00 0.51 0.00 0.00 43.02 41.86 1xxe s PHE 246 CO 0.04 0.41 -0.16 -0.47 0.70 0.00 0.00 175.22 175.74 1xxe s TYR 247 N -1.17 1.41 -0.05 0.36 6.14 0.56 -0.51 117.35 124.08 1xxe s TYR 247 Ca 0.21 -0.34 -0.02 0.00 0.64 0.00 0.00 57.07 57.56 1xxe s TYR 247 Cb -0.11 -0.85 0.04 0.00 0.42 0.00 0.00 41.96 41.45 1xxe s TYR 247 CO 0.13 0.04 0.11 0.45 0.64 0.00 0.00 175.55 176.92 1xxe s SER 248 N -0.98 0.04 -0.29 4.32 0.15 0.26 -1.25 113.70 115.94 1xxe s SER 248 Ca 0.04 0.23 -0.04 0.00 0.70 0.00 0.00 55.95 56.88 1xxe s SER 248 Cb -0.08 0.11 0.03 0.00 -1.71 0.00 0.00 66.02 64.38 1xxe s SER 248 CO 0.01 -0.15 0.03 0.12 1.20 0.00 0.00 173.24 174.44 1xxe s PHE 249 N 1.26 3.17 -1.26 3.44 2.19 -0.18 0.07 117.98 126.66 1xxe s PHE 249 Ca -0.08 -1.43 -0.15 0.00 0.33 0.00 0.00 56.93 55.60 1xxe s PHE 249 Cb -0.12 -2.17 0.00 0.00 -1.31 0.00 0.00 43.02 39.42 1xxe s PHE 249 CO -0.05 -0.70 0.61 0.54 1.83 0.00 0.00 175.22 177.45 1xxe n ARG 250 N 4.75 -1.76 -3.11 10.12 5.12 -0.52 -2.43 116.66 128.82 1xxe n ARG 250 Ca -0.14 0.36 -0.33 0.00 -1.93 0.00 0.00 57.85 55.81 1xxe n ARG 250 Cb 0.46 -3.97 -0.06 0.00 -1.16 0.00 0.00 32.46 27.72 1xxe n ARG 250 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1xxe s GLY 251 N -3.83 2.37 0.33 -0.13 0.00 -1.26 -4.38 107.32 100.41 1xxe s GLY 251 Ca 0.30 0.08 0.08 0.00 0.00 0.00 0.00 44.72 45.18 1xxe s GLY 251 CO 0.90 0.31 -0.08 -0.32 0.00 0.00 0.00 173.10 173.90 1xxe s GLY 252 N -2.20 2.12 0.18 0.20 0.00 -1.26 -4.99 107.32 101.37 1xxe s GLY 252 Ca 0.53 -2.06 -0.13 0.00 0.00 0.00 0.00 44.72 43.07 1xxe s GLY 252 CO 0.17 -1.98 1.84 0.45 0.00 0.00 0.00 173.10 173.58 1xxe h HIS 253 N 2.08 0.68 -0.92 1.90 3.86 -1.96 0.38 115.15 121.17 1xxe h HIS 253 Ca -0.42 0.02 0.02 0.00 -1.16 0.00 0.00 60.37 58.83 1xxe h HIS 253 Cb 1.25 -0.23 -0.05 0.00 1.06 0.00 0.00 27.41 29.44 1xxe h HIS 253 CO 0.74 0.41 0.60 0.77 0.86 0.00 0.00 177.93 181.32 1xxe h SER 254 N 0.73 1.03 0.11 2.45 0.02 -1.89 0.11 113.55 116.11 1xxe h SER 254 Ca 0.22 -0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.97 1xxe h SER 254 Cb -0.04 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.24 1xxe h SER 254 CO -0.07 0.74 -0.64 0.25 -1.14 0.00 0.00 176.83 175.97 1xxe h LEU 255 N 1.21 0.58 -0.28 5.07 5.85 -1.78 -2.66 115.31 123.29 1xxe h LEU 255 Ca 0.35 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1xxe h LEU 255 Cb -0.10 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 1xxe h LEU 255 CO -0.09 1.07 0.15 0.78 -0.34 0.00 0.00 178.44 180.01 1xxe h ASN 256 N 0.37 0.36 -0.63 1.25 -0.26 0.68 -1.75 115.58 115.60 1xxe h ASN 256 Ca -0.01 -0.10 0.07 0.00 -0.56 0.00 0.00 56.30 55.70 1xxe h ASN 256 Cb 1.20 -0.09 -0.06 0.00 -1.06 0.00 0.00 38.32 38.30 1xxe h ASN 256 CO 0.12 0.36 0.31 0.58 -1.06 0.00 0.00 177.43 177.74 1xxe h VAL 257 N 0.34 0.89 -0.37 2.81 2.07 -0.75 -1.06 116.25 120.19 1xxe h VAL 257 Ca 0.10 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.48 1xxe h VAL 257 Cb 0.08 0.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.08 1xxe h VAL 257 CO -0.01 0.10 0.06 0.50 0.02 0.00 0.00 177.57 178.24 1xxe h LYS 258 N 0.57 0.17 -0.81 1.57 3.64 -1.05 0.55 116.57 121.21 1xxe h LYS 258 Ca 0.30 -0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.80 1xxe h LYS 258 Cb 0.26 -0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 31.95 1xxe h LYS 258 CO -0.22 0.12 0.41 1.25 -2.27 0.00 0.00 179.45 178.73 1xxe h LEU 259 N 0.18 0.50 -0.20 5.20 5.85 -0.37 -0.18 115.31 126.30 1xxe h LEU 259 Ca 0.18 0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.90 1xxe h LEU 259 Cb 0.22 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 1xxe h LEU 259 CO -0.25 0.23 -0.20 0.58 -0.34 0.00 0.00 178.44 178.47 1xxe h VAL 260 N 0.62 1.33 -0.16 1.05 2.07 -0.17 -2.34 116.25 118.65 1xxe h VAL 260 Ca 0.43 -1.36 0.05 0.00 0.82 0.00 0.00 66.70 66.63 1xxe h VAL 260 Cb 0.56 1.77 -0.05 0.00 -1.52 0.00 0.00 31.29 32.05 1xxe h VAL 260 CO -0.33 0.41 -0.18 0.50 0.02 0.00 0.00 177.57 177.98 1xxe h LYS 261 N 0.15 -0.21 -0.31 1.57 1.63 0.13 0.30 116.57 119.82 1xxe h LYS 261 Ca 0.03 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 1xxe h LYS 261 Cb 0.74 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.41 1xxe h LYS 261 CO 0.05 -0.14 0.16 0.93 -3.45 0.00 0.00 179.45 176.99 1xxe h GLU 262 N -0.22 0.45 -0.54 1.90 5.08 -1.11 0.53 114.58 120.67 1xxe h GLU 262 Ca 0.11 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1xxe h GLU 262 Cb 0.38 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1xxe h GLU 262 CO -0.29 0.41 0.34 -0.07 -1.00 0.00 0.00 179.01 178.40 1xxe h LEU 263 N 0.38 0.56 -1.10 1.33 3.38 -0.88 0.76 115.31 119.73 1xxe h LEU 263 Ca 0.11 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 1xxe h LEU 263 Cb 0.11 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1xxe h LEU 263 CO -0.01 0.40 -0.44 0.00 0.09 0.00 0.00 178.44 178.47 1xxe h ALA 264 N 1.22 1.25 0.01 1.53 0.00 -0.13 -2.84 119.26 120.31 1xxe h ALA 264 Ca 0.21 -0.41 -0.24 0.00 0.00 0.00 0.00 54.91 54.47 1xxe h ALA 264 Cb -0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1xxe h ALA 264 CO -0.08 0.56 -1.25 0.87 0.00 0.00 0.00 179.25 179.35 1xxe h LYS 265 N 0.02 0.02 -0.66 0.00 1.57 -0.12 -3.30 116.57 114.10 1xxe h LYS 265 Ca -0.00 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.81 1xxe h LYS 265 Cb 0.79 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.05 1xxe h LYS 265 CO 0.06 0.86 0.35 0.87 -0.57 0.00 0.00 179.45 181.02 1xxe h LYS 266 N 0.01 0.62 -0.78 3.15 1.57 0.74 0.24 116.57 122.12 1xxe h LYS 266 Ca -0.11 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1xxe h LYS 266 Cb 1.86 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 34.03 1xxe h LYS 266 CO 0.12 0.41 0.00 0.00 -0.57 0.00 0.00 179.45 179.41 1xxe n GLN 267 N -4.82 0.80 0.00 3.15 10.64 -1.14 -3.92 117.38 122.10 1xxe n GLN 267 Ca 0.09 0.00 0.03 0.00 -1.83 0.00 0.00 57.00 55.29 1xxe n GLN 267 Cb 0.19 -1.39 0.19 0.00 -0.86 0.00 0.00 30.24 28.37 1xxe n GLN 267 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 1xxe n LYS 268 N 0.08 0.18 -0.34 2.61 -0.00 0.84 -3.25 118.16 118.29 1xxe n LYS 268 Ca 0.00 0.04 0.26 0.00 -0.00 0.00 0.00 58.31 58.61 1xxe n LYS 268 Cb 0.19 -1.50 0.51 0.00 -0.00 0.00 0.00 35.03 34.23 1xxe n LYS 268 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1xxe h LEU 269 N 0.00 0.47 -1.04 -5.58 3.38 -1.82 -3.53 115.31 107.19 1xxe h LEU 269 Ca 0.00 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1xxe h LEU 269 Cb 0.01 0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1xxe h LEU 269 CO 0.00 -0.19 0.00 0.35 0.09 0.00 0.00 178.44 178.69