#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 1.47 -4.92 3.23 1.02 0.96 -4.63 120.64 117.77 1xxe n GLU 4 Ca 0.00 0.53 -0.26 0.00 -0.02 0.00 0.00 57.16 57.41 1xxe n GLU 4 Cb 0.00 -2.17 -0.16 0.00 -0.02 0.00 0.00 31.44 29.10 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 -2.18 1.60 0.32 3.49 2.20 -1.25 -0.78 119.74 123.13 1xxe s LYS 5 Ca 0.64 -0.68 0.05 0.00 -0.36 0.00 0.00 55.97 55.62 1xxe s LYS 5 Cb -0.52 -1.52 -0.03 0.00 -1.51 0.00 0.00 37.83 34.25 1xxe s LYS 5 CO 0.56 0.39 0.21 -0.08 -0.36 0.00 0.00 175.35 176.07 1xxe s THR 6 N -0.39 0.17 0.22 3.43 -1.32 -0.65 -2.35 115.64 114.76 1xxe s THR 6 Ca 0.06 -2.00 -0.22 0.00 -1.21 0.00 0.00 61.69 58.32 1xxe s THR 6 Cb -0.08 -2.48 -0.08 0.00 -1.51 0.00 0.00 72.50 68.35 1xxe s THR 6 CO -0.00 0.00 0.77 0.68 -2.21 0.00 0.00 174.62 173.86 1xxe s VAL 7 N -3.55 4.47 -0.04 5.08 -7.23 -1.26 0.12 120.40 117.99 1xxe s VAL 7 Ca 0.37 1.47 -0.23 0.00 -1.81 0.00 0.00 61.98 61.77 1xxe s VAL 7 Cb 0.04 -3.95 -0.24 0.00 0.56 0.00 0.00 36.38 32.79 1xxe s VAL 7 CO 0.21 0.27 1.03 0.50 -0.31 0.00 0.00 175.10 176.80 1xxe h LYS 8 N 3.59 0.24 -5.89 4.82 3.64 -0.31 -3.42 116.57 119.24 1xxe h LYS 8 Ca -0.48 -0.27 -0.51 0.00 -1.27 0.00 0.00 60.65 58.12 1xxe h LYS 8 Cb 1.20 0.08 -0.19 0.00 -0.41 0.00 0.00 32.23 32.91 1xxe h LYS 8 CO 0.65 1.00 -0.79 -1.21 -2.27 0.00 0.00 179.45 176.83 1xxe s GLU 9 N -3.07 1.18 0.33 1.90 0.41 -1.26 -4.99 118.70 113.20 1xxe s GLU 9 Ca -0.15 -1.31 -0.29 0.00 -0.41 0.00 0.00 54.97 52.81 1xxe s GLU 9 Cb 0.01 -1.26 -0.11 0.00 -1.78 0.00 0.00 34.13 31.00 1xxe s GLU 9 CO 0.77 0.26 1.49 0.21 -0.49 0.00 0.00 175.26 177.50 1xxe s LYS 10 N -2.53 4.16 0.34 1.61 2.20 -1.26 -4.89 119.74 119.38 1xxe s LYS 10 Ca 0.12 2.49 0.09 0.00 -0.36 0.00 0.00 55.97 58.31 1xxe s LYS 10 Cb -0.07 -3.02 -0.06 0.00 -1.51 0.00 0.00 37.83 33.17 1xxe s LYS 10 CO 0.05 -0.50 -0.09 -0.51 -0.36 0.00 0.00 175.35 173.94 1xxe s LEU 11 N -1.36 2.72 -0.07 5.43 1.43 -0.82 -4.97 118.68 121.02 1xxe s LEU 11 Ca 0.56 -1.20 -0.23 0.00 -1.03 0.00 0.00 54.13 52.23 1xxe s LEU 11 Cb -0.45 -0.97 0.05 0.00 0.03 0.00 0.00 46.19 44.85 1xxe s LEU 11 CO 0.55 -0.22 0.53 -0.94 0.23 0.00 0.00 176.35 176.50 1xxe s SER 12 N -3.60 -0.49 0.19 2.29 1.04 -1.26 -1.26 113.70 110.61 1xxe s SER 12 Ca 0.32 0.60 0.04 0.00 0.48 0.00 0.00 55.95 57.40 1xxe s SER 12 Cb 0.03 0.60 -0.05 0.00 0.10 0.00 0.00 66.02 66.70 1xxe s SER 12 CO 0.16 -0.47 -0.06 -0.36 0.98 0.00 0.00 173.24 173.49 1xxe s PHE 13 N -0.91 1.44 -0.17 5.02 0.08 -0.21 -4.96 117.98 118.27 1xxe s PHE 13 Ca -0.09 -0.81 -0.13 0.00 0.12 0.00 0.00 56.93 56.01 1xxe s PHE 13 Cb -0.03 -0.77 0.05 0.00 -0.57 0.00 0.00 43.02 41.70 1xxe s PHE 13 CO 0.06 0.06 0.43 -1.83 -0.10 0.00 0.00 175.22 173.84 1xxe s GLU 14 N -3.79 0.47 0.00 0.44 -1.05 -1.26 -1.58 118.70 111.93 1xxe s GLU 14 Ca 0.22 0.67 0.00 0.00 -0.15 0.00 0.00 54.97 55.71 1xxe s GLU 14 Cb 0.04 0.15 0.00 0.00 -0.44 0.00 0.00 34.13 33.88 1xxe s GLU 14 CO 0.05 -0.09 0.00 0.41 0.95 0.00 0.00 175.26 176.57 1xxe n GLY 15 N 3.34 1.90 3.81 -3.83 0.00 -0.80 -4.95 105.19 104.66 1xxe n GLY 15 Ca -0.17 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 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 3.85 0.04 1.61 0.11 -1.26 -2.12 120.40 120.62 1xxe s VAL 16 Ca 0.00 0.60 -0.13 0.00 -2.93 0.00 0.00 61.98 59.52 1xxe s VAL 16 Cb 0.00 -3.32 -0.06 0.00 -1.53 0.00 0.00 36.38 31.47 1xxe s VAL 16 CO 0.00 -0.78 0.41 -0.83 -3.33 0.00 0.00 175.10 170.57 1xxe s GLY 17 N -3.78 2.42 0.13 6.54 0.00 -0.72 -0.75 107.32 111.16 1xxe s GLY 17 Ca 0.59 -0.28 -0.16 0.00 0.00 0.00 0.00 44.72 44.86 1xxe s GLY 17 CO 0.55 0.01 1.69 1.19 0.00 0.00 0.00 173.10 176.55 1xxe h ILE 18 N 3.31 1.18 0.15 0.90 2.10 -1.81 0.15 117.51 123.48 1xxe h ILE 18 Ca -0.50 -0.52 -0.34 0.00 1.08 0.00 0.00 64.86 64.57 1xxe h ILE 18 Cb 1.21 0.83 -0.00 0.00 -1.09 0.00 0.00 36.82 37.77 1xxe h ILE 18 CO 0.64 0.19 -1.76 0.45 -1.08 0.00 0.00 178.15 176.58 1xxe h HIS 19 N 0.46 0.56 0.05 2.19 -0.00 -1.88 3.32 115.15 119.85 1xxe h HIS 19 Ca 0.13 -0.41 -0.23 0.00 -0.00 0.00 0.00 60.37 59.86 1xxe h HIS 19 Cb 0.15 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.53 1xxe h HIS 19 CO -0.01 1.60 -1.03 1.79 -0.00 0.00 0.00 177.93 180.28 1xxe h THR 20 N 0.08 1.53 -1.59 2.45 1.35 -1.93 -1.62 112.91 113.19 1xxe h THR 20 Ca -0.34 -2.90 -0.30 0.00 -0.55 0.00 0.00 66.41 62.31 1xxe h THR 20 Cb 2.06 2.70 -0.06 0.00 -1.73 0.00 0.00 68.15 71.13 1xxe h THR 20 CO 0.15 0.85 -0.34 0.61 -0.25 0.00 0.00 175.52 176.53 1xxe n GLY 21 N 1.20 0.44 3.52 5.82 0.00 0.52 -4.57 105.19 112.11 1xxe n GLY 21 Ca -0.05 -0.28 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 1xxe n GLY 21 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xxe s GLU 22 N -4.18 1.89 0.25 1.61 0.41 -1.26 -4.79 118.70 112.62 1xxe s GLU 22 Ca 0.00 -1.34 -0.30 0.00 -0.41 0.00 0.00 54.97 52.93 1xxe s GLU 22 Cb 0.00 -2.07 -0.09 0.00 -1.78 0.00 0.00 34.13 30.19 1xxe s GLU 22 CO 0.00 0.43 1.15 -0.47 -0.49 0.00 0.00 175.26 175.88 1xxe s TYR 23 N -1.66 3.48 0.06 1.61 5.04 -1.26 -1.75 117.35 122.86 1xxe s TYR 23 Ca 0.23 1.58 -0.05 0.00 -2.44 0.00 0.00 57.07 56.39 1xxe s TYR 23 Cb -0.09 -3.37 -0.02 0.00 0.35 0.00 0.00 41.96 38.84 1xxe s TYR 23 CO 0.13 -0.89 0.09 0.45 -1.34 0.00 0.00 175.55 173.99 1xxe s SER 24 N -0.46 0.24 0.04 4.32 0.15 -0.90 -4.89 113.70 112.20 1xxe s SER 24 Ca 0.48 -0.70 0.02 0.00 0.70 0.00 0.00 55.95 56.46 1xxe s SER 24 Cb -0.33 0.26 -0.02 0.00 -1.71 0.00 0.00 66.02 64.22 1xxe s SER 24 CO 0.40 -0.60 -0.08 -0.75 1.20 0.00 0.00 173.24 173.41 1xxe s LYS 25 N -3.36 0.54 0.06 5.44 2.20 -0.94 -1.91 119.74 121.77 1xxe s LYS 25 Ca 0.01 -0.70 0.07 0.00 -0.36 0.00 0.00 55.97 55.00 1xxe s LYS 25 Cb 0.03 -0.35 -0.03 0.00 -1.51 0.00 0.00 37.83 35.97 1xxe s LYS 25 CO -0.08 0.07 -0.20 -0.51 -0.36 0.00 0.00 175.35 174.26 1xxe s LEU 26 N -1.41 2.20 -0.05 5.43 1.43 -0.62 -0.44 118.68 125.23 1xxe s LEU 26 Ca -0.08 -0.57 0.02 0.00 -1.03 0.00 0.00 54.13 52.47 1xxe s LEU 26 Cb -0.09 -0.93 0.02 0.00 0.03 0.00 0.00 46.19 45.21 1xxe s LEU 26 CO 0.00 0.13 -0.08 -0.63 0.23 0.00 0.00 176.35 176.00 1xxe s ILE 27 N -0.90 0.80 -0.20 -0.59 1.01 -0.15 -1.04 121.20 120.12 1xxe s ILE 27 Ca 0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 60.65 60.42 1xxe s ILE 27 Cb -0.09 -0.76 0.01 0.00 0.01 0.00 0.00 42.46 41.64 1xxe s ILE 27 CO 0.02 0.27 -0.13 -0.63 0.00 0.00 0.00 174.94 174.48 1xxe s ILE 28 N 0.69 2.55 0.10 2.92 1.01 -0.39 0.42 121.20 128.50 1xxe s ILE 28 Ca -0.11 -0.85 0.09 0.00 0.00 0.00 0.00 60.65 59.78 1xxe s ILE 28 Cb -0.14 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 1xxe s ILE 28 CO 0.02 0.44 -0.20 -1.00 0.00 0.00 0.00 174.94 174.20 1xxe s HIS 29 N 1.34 2.50 0.94 3.97 3.76 -0.94 -1.95 115.29 124.92 1xxe s HIS 29 Ca 0.04 -0.28 -0.11 0.00 -0.15 0.00 0.00 55.06 54.56 1xxe s HIS 29 Cb -0.14 -1.36 0.16 0.00 1.11 0.00 0.00 32.58 32.35 1xxe s HIS 29 CO -0.09 0.34 1.12 -1.25 -0.85 0.00 0.00 174.74 174.01 1xxe s PRO 30 N -1.93 0.80 0.15 8.40 0.04 -1.26 -1.64 135.00 139.56 1xxe s PRO 30 Ca 0.16 1.40 0.03 0.00 0.04 0.00 0.00 61.00 62.63 1xxe s PRO 30 Cb -0.10 -1.71 -0.01 0.00 0.04 0.00 0.00 34.50 32.71 1xxe s PRO 30 CO 0.08 -2.73 0.09 0.39 0.04 0.00 0.00 177.00 174.87 1xxe n GLU 31 N -4.29 0.44 -3.02 4.56 -0.58 -1.26 -4.65 120.64 111.84 1xxe n GLU 31 Ca 0.10 -1.43 -0.32 0.00 -0.42 0.00 0.00 57.16 55.09 1xxe n GLU 31 Cb 0.52 1.00 -0.05 0.00 -0.57 0.00 0.00 31.44 32.34 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 -2.61 3.93 0.58 3.49 2.20 -1.26 -4.93 119.74 121.15 1xxe s LYS 32 Ca 0.13 0.62 -0.18 0.00 -0.36 0.00 0.00 55.97 56.19 1xxe s LYS 32 Cb 0.01 -2.40 -0.08 0.00 -1.51 0.00 0.00 37.83 33.84 1xxe s LYS 32 CO 0.09 0.08 0.54 0.39 -0.36 0.00 0.00 175.35 176.09 1xxe n GLU 33 N -0.71 0.51 -1.88 4.03 1.02 -1.26 -1.38 120.64 120.97 1xxe n GLU 33 Ca 0.03 0.20 -0.20 0.00 -0.02 0.00 0.00 57.16 57.17 1xxe n GLU 33 Cb 0.53 -1.73 -0.06 0.00 -0.02 0.00 0.00 31.44 30.17 1xxe n GLU 33 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xxe n GLY 34 N 1.76 1.05 0.13 0.62 0.00 -1.26 -4.85 105.19 102.63 1xxe n GLY 34 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 1.40 0.00 2.61 2.02 -1.42 -3.51 112.91 114.01 1xxe h THR 35 Ca -0.44 -2.60 0.00 0.00 0.77 0.00 0.00 66.41 64.14 1xxe h THR 35 Cb 1.33 3.13 0.00 0.00 -1.74 0.00 0.00 68.15 70.87 1xxe h THR 35 CO 0.59 0.76 0.00 0.61 0.37 0.00 0.00 175.52 177.85 1xxe n GLY 36 N 1.69 -3.46 3.63 2.16 0.00 0.11 -4.90 105.19 104.43 1xxe n GLY 36 Ca -0.15 -2.06 -0.38 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.68 5.25 0.00 -0.61 -1.09 -1.23 -2.37 121.20 120.48 1xxe s ILE 37 Ca 0.00 0.42 0.01 0.00 -2.23 0.00 0.00 60.65 58.85 1xxe s ILE 37 Cb 0.00 -3.62 -0.00 0.00 -1.58 0.00 0.00 42.46 37.26 1xxe s ILE 37 CO 0.00 0.25 -0.02 0.00 -1.23 0.00 0.00 174.94 173.93 1xxe s ARG 38 N 1.57 0.18 0.11 2.79 1.70 -1.00 -1.76 118.95 122.53 1xxe s ARG 38 Ca 0.12 -0.11 0.01 0.00 -0.47 0.00 0.00 55.73 55.29 1xxe s ARG 38 Cb -0.15 -0.15 -0.04 0.00 -0.57 0.00 0.00 34.95 34.04 1xxe s ARG 38 CO 0.08 0.04 0.25 -0.06 -1.08 0.00 0.00 175.30 174.53 1xxe s PHE 39 N -0.14 3.50 0.07 5.89 0.08 -0.77 -1.67 117.98 124.94 1xxe s PHE 39 Ca -0.00 0.17 0.08 0.00 0.12 0.00 0.00 56.93 57.29 1xxe s PHE 39 Cb -0.01 -1.70 -0.03 0.00 -0.57 0.00 0.00 43.02 40.70 1xxe s PHE 39 CO -0.00 0.55 -0.21 0.12 -0.10 0.00 0.00 175.22 175.58 1xxe s PHE 40 N -1.65 1.79 -0.29 0.36 2.19 -0.75 0.37 117.98 120.00 1xxe s PHE 40 Ca 0.35 -0.39 -0.17 0.00 0.33 0.00 0.00 56.93 57.04 1xxe s PHE 40 Cb -0.12 -1.03 0.17 0.00 -1.31 0.00 0.00 43.02 40.74 1xxe s PHE 40 CO 0.28 0.15 1.13 0.21 1.83 0.00 0.00 175.22 178.82 1xxe s LYS 41 N -1.54 0.23 -1.53 10.12 2.20 -0.09 -1.84 119.74 127.29 1xxe s LYS 41 Ca 0.07 0.37 0.00 0.00 -0.36 0.00 0.00 55.97 56.05 1xxe s LYS 41 Cb -0.09 0.05 0.00 0.00 -1.51 0.00 0.00 37.83 36.28 1xxe s LYS 41 CO 0.03 -0.04 0.00 0.09 -0.36 0.00 0.00 175.35 175.07 1xxe n ASN 42 N 3.22 -5.16 -0.54 1.43 3.02 -1.26 -0.67 115.26 115.30 1xxe n ASN 42 Ca -0.17 0.08 -0.06 0.00 -0.03 0.00 0.00 54.58 54.40 1xxe n ASN 42 Cb 0.57 -4.33 -0.01 0.00 -0.61 0.00 0.00 39.78 35.40 1xxe n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xxe n GLY 43 N -0.91 0.51 3.10 7.41 0.00 -1.26 -5.02 105.19 109.01 1xxe n GLY 43 Ca -0.21 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.25 1.12 -0.13 1.61 1.01 0.16 -5.13 120.40 116.80 1xxe s VAL 44 Ca 0.00 -0.59 -0.09 0.00 0.00 0.00 0.00 61.98 61.30 1xxe s VAL 44 Cb 0.00 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 1xxe s VAL 44 CO 0.00 0.32 0.18 -0.31 0.00 0.00 0.00 175.10 175.30 1xxe s TYR 45 N -0.19 3.56 -0.35 5.22 1.51 -1.26 -0.91 117.35 124.93 1xxe s TYR 45 Ca 0.03 0.55 0.01 0.00 -1.01 0.00 0.00 57.07 56.64 1xxe s TYR 45 Cb -0.07 -2.06 0.11 0.00 -0.11 0.00 0.00 41.96 39.83 1xxe s TYR 45 CO 0.00 0.59 0.13 0.42 -1.11 0.00 0.00 175.55 175.58 1xxe s ILE 46 N -0.61 1.27 0.35 2.71 1.01 0.16 -4.93 121.20 121.15 1xxe s ILE 46 Ca 0.15 -1.89 -0.26 0.00 0.00 0.00 0.00 60.65 58.65 1xxe s ILE 46 Cb -0.12 -1.93 -0.13 0.00 0.01 0.00 0.00 42.46 40.28 1xxe s ILE 46 CO 0.04 -0.73 0.89 -2.65 0.00 0.00 0.00 174.94 172.49 1xxe n PRO 47 N 4.37 1.12 -2.98 2.79 -0.02 -1.26 -1.84 135.00 137.18 1xxe n PRO 47 Ca 0.02 0.40 -0.44 0.00 -2.02 0.00 0.00 63.50 61.46 1xxe n PRO 47 Cb 0.40 -1.79 -0.01 0.00 -0.02 0.00 0.00 33.50 32.08 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 -1.21 3.93 0.04 3.55 0.00 -0.72 -4.84 121.76 122.52 1xxe s ALA 48 Ca 0.61 -3.28 -0.01 0.00 0.00 0.00 0.00 51.96 49.28 1xxe s ALA 48 Cb -0.65 -4.06 -0.03 0.00 0.00 0.00 0.00 23.12 18.39 1xxe s ALA 48 CO 0.58 -2.76 -0.01 1.03 0.00 0.00 0.00 175.76 174.60 1xxe s ARG 49 N 1.55 0.54 0.15 0.00 0.52 -1.26 -4.44 118.95 116.02 1xxe s ARG 49 Ca 0.39 -1.01 -0.18 0.00 -0.52 0.00 0.00 55.73 54.41 1xxe s ARG 49 Cb -0.04 0.19 0.05 0.00 0.52 0.00 0.00 34.95 35.68 1xxe s ARG 49 CO -0.03 -0.10 1.68 1.12 0.02 0.00 0.00 175.30 177.99 1xxe h HIS 50 N 3.56 -0.15 0.00 -0.53 2.07 -1.93 0.18 115.15 118.34 1xxe h HIS 50 Ca -0.33 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.22 1xxe h HIS 50 Cb 1.16 0.12 0.00 0.00 2.57 0.00 0.00 27.41 31.26 1xxe h HIS 50 CO 0.56 -0.13 0.51 0.93 -3.07 0.00 0.00 177.93 176.73 1xxe h GLU 51 N 0.01 0.00 -0.29 5.12 4.39 -1.96 2.57 114.58 124.41 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 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1xxe h GLU 51 CO -0.33 0.00 0.00 1.19 -1.16 0.00 0.00 179.01 178.71 1xxe n PHE 52 N -2.06 0.37 -1.71 4.33 3.01 0.63 -4.94 117.46 117.09 1xxe n PHE 52 Ca -0.01 -0.19 -0.43 0.00 1.01 0.00 0.00 57.45 57.84 1xxe n PHE 52 Cb 0.53 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.97 1xxe n PHE 52 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1xxe n VAL 53 N 1.21 0.09 -0.01 -4.37 0.31 0.86 -2.45 118.33 113.98 1xxe n VAL 53 Ca 0.18 -0.02 -0.01 0.00 -0.01 0.00 0.00 64.34 64.48 1xxe n VAL 53 Cb 0.54 -1.90 -0.01 0.00 -0.91 0.00 0.00 33.84 31.56 1xxe n VAL 53 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1xxe n VAL 54 N 3.71 0.08 -3.66 2.52 0.24 -1.02 -4.87 118.33 115.33 1xxe n VAL 54 Ca 0.16 -0.04 -0.08 0.00 -2.04 0.00 0.00 64.34 62.33 1xxe n VAL 54 Cb 0.34 -0.88 -0.09 0.00 -1.47 0.00 0.00 33.84 31.74 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 -2.03 -0.86 -0.12 6.34 5.65 -1.21 -5.05 115.29 118.02 1xxe s HIS 55 Ca -0.01 1.63 -0.01 0.00 0.25 0.00 0.00 55.06 56.93 1xxe s HIS 55 Cb 0.00 0.39 -0.02 0.00 -1.18 0.00 0.00 32.58 31.77 1xxe s HIS 55 CO 0.04 -0.49 -0.10 0.95 -0.65 0.00 0.00 174.74 174.50 1xxe s THR 56 N 2.42 3.35 0.00 0.89 -4.23 -1.26 -1.89 115.64 114.92 1xxe s THR 56 Ca -0.04 -0.57 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 1xxe s THR 56 Cb -0.11 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.32 1xxe s THR 56 CO -0.14 0.53 0.00 -3.20 -0.54 0.00 0.00 174.62 171.27 1xxe n ASN 57 N 3.28 0.00 0.11 3.99 2.85 -1.26 -4.87 115.26 119.36 1xxe n ASN 57 Ca -0.18 0.00 0.03 0.00 -0.11 0.00 0.00 54.58 54.32 1xxe n ASN 57 Cb 0.53 0.00 0.14 0.00 1.24 0.00 0.00 39.78 41.68 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 0.17 -4.21 1.20 8.25 -1.26 -4.39 115.22 114.98 1xxe n HIS 58 Ca 0.00 0.09 -0.12 0.00 -0.26 0.00 0.00 57.72 57.43 1xxe n HIS 58 Cb 0.00 -0.32 -0.10 0.00 1.12 0.00 0.00 29.99 30.69 1xxe n HIS 58 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1xxe s SER 59 N -2.80 0.75 -0.22 0.41 0.15 -1.26 -5.03 113.70 105.71 1xxe s SER 59 Ca -0.01 -1.24 -0.07 0.00 0.70 0.00 0.00 55.95 55.34 1xxe s SER 59 Cb 0.01 0.22 -0.03 0.00 -1.71 0.00 0.00 66.02 64.51 1xxe s SER 59 CO 0.05 -0.68 0.06 -0.89 1.20 0.00 0.00 173.24 172.97 1xxe s THR 60 N -3.87 4.39 0.02 6.45 2.01 -1.26 -4.58 115.64 118.80 1xxe s THR 60 Ca 0.27 -0.15 0.08 0.00 0.31 0.00 0.00 61.69 62.20 1xxe s THR 60 Cb 0.07 -3.02 -0.02 0.00 0.01 0.00 0.00 72.50 69.53 1xxe s THR 60 CO 0.05 0.39 -0.23 -1.81 -0.69 0.00 0.00 174.62 172.32 1xxe s ASP 61 N 1.16 2.78 0.31 3.53 1.01 -0.79 -1.45 116.67 123.22 1xxe s ASP 61 Ca 0.04 -0.49 0.08 0.00 0.71 0.00 0.00 52.55 52.89 1xxe s ASP 61 Cb -0.14 -0.27 -0.06 0.00 1.01 0.00 0.00 42.92 43.45 1xxe s ASP 61 CO 0.03 0.25 -0.08 -0.76 0.21 0.00 0.00 175.17 174.81 1xxe s LEU 62 N -0.90 2.62 0.00 1.23 1.43 -0.59 -2.43 118.68 120.04 1xxe s LEU 62 Ca 0.09 -1.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.01 1xxe s LEU 62 Cb -0.09 -0.84 0.00 0.00 0.03 0.00 0.00 46.19 45.29 1xxe s LEU 62 CO 0.01 -0.26 0.00 0.61 0.23 0.00 0.00 176.35 176.94 1xxe n GLY 63 N -0.69 1.56 3.13 -3.19 0.00 -1.02 0.05 105.19 105.02 1xxe n GLY 63 Ca -0.05 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.53 0.06 -1.73 1.61 5.36 0.58 -4.76 117.98 117.56 1xxe s PHE 64 Ca 0.00 -0.19 0.00 0.00 -0.96 0.00 0.00 56.93 55.78 1xxe s PHE 64 Cb 0.00 -0.05 0.00 0.00 -0.34 0.00 0.00 43.02 42.63 1xxe s PHE 64 CO 0.00 -0.33 0.00 1.63 -1.46 0.00 0.00 175.22 175.06 1xxe n LYS 65 N 1.20 -1.65 -0.55 10.12 4.76 -1.26 -0.56 118.16 130.23 1xxe n LYS 65 Ca -0.21 0.97 0.00 0.00 -2.87 0.00 0.00 58.31 56.20 1xxe n LYS 65 Cb 0.57 -5.49 0.00 0.00 -1.84 0.00 0.00 35.03 28.27 1xxe n LYS 65 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xxe n GLY 66 N -0.68 0.76 3.87 0.72 0.00 -1.26 -5.04 105.19 103.56 1xxe n GLY 66 Ca -0.20 0.00 -0.35 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 -0.45 3.39 0.03 1.61 -1.52 0.28 -5.10 119.66 117.90 1xxe s GLN 67 Ca 0.00 -0.23 -0.05 0.00 -1.95 0.00 0.00 55.36 53.13 1xxe s GLN 67 Cb 0.00 -3.12 -0.01 0.00 -0.22 0.00 0.00 33.01 29.66 1xxe s GLN 67 CO 0.00 0.74 0.09 -0.98 -0.25 0.00 0.00 175.29 174.89 1xxe s ARG 68 N -1.35 0.56 0.02 2.91 1.70 -1.26 -0.31 118.95 121.22 1xxe s ARG 68 Ca 0.19 -0.71 0.03 0.00 -0.47 0.00 0.00 55.73 54.77 1xxe s ARG 68 Cb -0.12 0.22 -0.01 0.00 -0.57 0.00 0.00 34.95 34.46 1xxe s ARG 68 CO 0.09 -0.14 -0.09 0.42 -1.08 0.00 0.00 175.30 174.51 1xxe s ILE 69 N -2.42 0.69 0.19 4.99 1.01 0.11 -4.80 121.20 120.97 1xxe s ILE 69 Ca -0.07 -0.68 0.09 0.00 0.00 0.00 0.00 60.65 60.00 1xxe s ILE 69 Cb -0.02 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 1xxe s ILE 69 CO -0.04 -0.02 -0.10 -0.54 0.00 0.00 0.00 174.94 174.24 1xxe s LYS 70 N -0.78 2.03 -0.99 2.79 1.02 -0.60 -1.54 119.74 121.67 1xxe s LYS 70 Ca -0.01 -1.32 -0.12 0.00 0.02 0.00 0.00 55.97 54.54 1xxe s LYS 70 Cb -0.06 -2.12 -0.01 0.00 -0.52 0.00 0.00 37.83 35.12 1xxe s LYS 70 CO 0.00 0.42 0.75 2.41 -0.92 0.00 0.00 175.35 178.02 1xxe n THR 71 N -0.04 -6.52 0.32 2.17 -1.04 -0.53 -2.24 114.28 106.40 1xxe n THR 71 Ca -0.10 -0.67 0.04 0.00 -2.04 0.00 0.00 64.05 61.28 1xxe n THR 71 Cb 0.56 -4.77 0.05 0.00 -1.82 0.00 0.00 70.33 64.35 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 -3.35 0.10 0.12 12.58 0.24 -1.20 -4.40 118.33 122.42 1xxe n VAL 72 Ca -0.11 -0.55 -0.03 0.00 -2.04 0.00 0.00 64.34 61.61 1xxe n VAL 72 Cb 0.59 1.12 0.15 0.00 -1.47 0.00 0.00 33.84 34.23 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 1.75 0.09 0.90 7.34 4.11 -1.87 -2.41 114.58 124.49 1xxe h GLU 73 Ca 0.00 -0.07 -0.04 0.00 0.07 0.00 0.00 59.36 59.32 1xxe h GLU 73 Cb 0.41 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.68 1xxe h GLU 73 CO 0.00 0.68 -0.43 0.45 0.07 0.00 0.00 179.01 179.78 1xxe h HIS 74 N 0.07 -1.12 -0.40 2.06 3.86 -1.91 0.91 115.15 118.61 1xxe h HIS 74 Ca -0.01 -0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1xxe h HIS 74 Cb 1.10 0.37 -0.02 0.00 1.06 0.00 0.00 27.41 29.92 1xxe h HIS 74 CO 0.01 -0.70 0.26 0.97 0.86 0.00 0.00 177.93 179.33 1xxe h ILE 75 N -1.28 1.08 -0.89 2.45 6.09 -1.86 -1.90 117.51 121.19 1xxe h ILE 75 Ca -0.12 -0.18 0.13 0.00 -1.37 0.00 0.00 64.86 63.31 1xxe h ILE 75 Cb 0.93 0.51 -0.09 0.00 0.47 0.00 0.00 36.82 38.65 1xxe h ILE 75 CO 0.20 0.09 0.52 -0.07 -3.07 0.00 0.00 178.15 175.82 1xxe h LEU 76 N 0.52 0.71 -0.42 2.19 3.38 -1.36 -0.62 115.31 119.70 1xxe h LEU 76 Ca 0.15 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.21 1xxe h LEU 76 Cb -0.04 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1xxe h LEU 76 CO -0.05 0.35 0.23 -1.28 0.09 0.00 0.00 178.44 177.79 1xxe h SER 77 N 0.79 0.36 0.30 -0.43 0.87 -0.01 0.60 113.55 116.03 1xxe h SER 77 Ca 0.46 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 61.03 1xxe h SER 77 Cb 0.53 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1xxe h SER 77 CO -0.30 0.26 -0.23 0.58 -0.53 0.00 0.00 176.83 176.61 1xxe h VAL 78 N 0.47 0.51 -0.78 2.23 2.07 -0.79 -1.59 116.25 118.35 1xxe h VAL 78 Ca 0.17 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.84 1xxe h VAL 78 Cb 0.05 0.51 -0.09 0.00 -1.52 0.00 0.00 31.29 30.23 1xxe h VAL 78 CO -0.10 0.00 0.35 -0.07 0.02 0.00 0.00 177.57 177.77 1xxe h LEU 79 N -0.54 0.38 -0.44 2.57 3.38 -0.95 0.19 115.31 119.91 1xxe h LEU 79 Ca -0.02 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.12 1xxe h LEU 79 Cb 0.47 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 1xxe h LEU 79 CO -0.01 0.15 0.09 -0.74 0.09 0.00 0.00 178.44 178.02 1xxe h HIS 80 N 0.51 0.15 -0.37 1.13 2.76 -0.10 0.86 115.15 120.08 1xxe h HIS 80 Ca 0.43 0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.51 1xxe h HIS 80 Cb 0.62 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.57 1xxe h HIS 80 CO -0.14 0.01 -0.22 -0.07 -1.30 0.00 0.00 177.93 176.22 1xxe h LEU 81 N 0.23 0.75 0.00 0.26 3.38 -0.14 -2.54 115.31 117.24 1xxe h LEU 81 Ca 0.21 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1xxe h LEU 81 Cb 0.26 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1xxe h LEU 81 CO -0.28 0.95 0.00 0.18 0.09 0.00 0.00 178.44 179.38 1xxe n LEU 82 N -4.12 0.00 -2.89 1.67 4.77 -0.12 -4.93 117.00 111.38 1xxe n LEU 82 Ca 0.00 0.38 -0.11 0.00 -0.03 0.00 0.00 56.01 56.24 1xxe n LEU 82 Cb 0.43 -0.38 0.05 0.00 -2.33 0.00 0.00 43.42 41.19 1xxe n LEU 82 CO 0.44 -0.04 0.04 -0.62 -1.33 0.00 0.00 177.39 175.88 1xxe n GLU 83 N -1.38 -1.76 -4.06 3.23 1.02 0.21 -4.98 120.64 112.92 1xxe n GLU 83 Ca 0.10 0.72 -0.34 0.00 -0.02 0.00 0.00 57.16 57.62 1xxe n GLU 83 Cb 0.25 -4.96 -0.10 0.00 -0.02 0.00 0.00 31.44 26.61 1xxe n GLU 83 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xxe s ILE 84 N -3.30 4.70 -0.00 -3.67 -1.09 -1.03 -3.92 121.20 112.89 1xxe s ILE 84 Ca 0.35 -0.07 0.00 0.00 -2.23 0.00 0.00 60.65 58.70 1xxe s ILE 84 Cb -0.05 -3.10 -0.00 0.00 -1.58 0.00 0.00 42.46 37.73 1xxe s ILE 84 CO 0.59 0.48 0.01 0.35 -1.23 0.00 0.00 174.94 175.14 1xxe n THR 85 N 3.37 0.00 -3.91 2.92 -2.24 -0.99 -4.86 114.28 108.56 1xxe n THR 85 Ca -0.17 -0.05 -0.30 0.00 -2.27 0.00 0.00 64.05 61.26 1xxe n THR 85 Cb 0.52 0.54 -0.16 0.00 -2.10 0.00 0.00 70.33 69.13 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 -1.95 3.58 -0.24 3.42 0.01 -1.23 0.04 114.94 118.58 1xxe s ASN 86 Ca -0.00 -1.05 -0.26 0.00 -0.71 0.00 0.00 52.86 50.84 1xxe s ASN 86 Cb 0.00 -1.08 0.10 0.00 0.41 0.00 0.00 41.25 40.68 1xxe s ASN 86 CO 0.01 -0.23 0.89 0.68 -1.51 0.00 0.00 177.10 176.94 1xxe s VAL 87 N 1.48 0.00 -0.41 1.60 -7.23 -1.00 -4.00 120.40 110.83 1xxe s VAL 87 Ca -0.04 0.00 -0.02 0.00 -1.81 0.00 0.00 61.98 60.11 1xxe s VAL 87 Cb -0.18 -1.00 0.11 0.00 0.56 0.00 0.00 36.38 35.87 1xxe s VAL 87 CO -0.07 0.00 0.20 -0.89 -0.31 0.00 0.00 175.10 174.03 1xxe s THR 88 N -0.06 3.20 -0.51 5.32 2.01 -0.65 -2.38 115.64 122.56 1xxe s THR 88 Ca -0.00 -2.14 -0.22 0.00 0.31 0.00 0.00 61.69 59.64 1xxe s THR 88 Cb -0.04 -3.21 0.05 0.00 0.01 0.00 0.00 72.50 69.31 1xxe s THR 88 CO -0.01 -0.69 0.77 -0.63 -0.69 0.00 0.00 174.62 173.36 1xxe s ILE 89 N 1.04 4.65 -0.27 1.82 1.01 -0.67 -2.21 121.20 126.57 1xxe s ILE 89 Ca 0.09 -0.05 -0.24 0.00 0.00 0.00 0.00 60.65 60.45 1xxe s ILE 89 Cb -0.22 -4.39 -0.00 0.00 0.01 0.00 0.00 42.46 37.85 1xxe s ILE 89 CO -0.05 -0.91 0.81 -1.61 0.00 0.00 0.00 174.94 173.19 1xxe s GLU 90 N 3.24 4.09 -0.43 2.79 2.02 0.17 -1.82 118.70 128.76 1xxe s GLU 90 Ca 0.23 0.79 -0.11 0.00 0.02 0.00 0.00 54.97 55.90 1xxe s GLU 90 Cb -0.15 -3.68 0.07 0.00 0.10 0.00 0.00 34.13 30.47 1xxe s GLU 90 CO 0.16 -0.59 0.28 0.08 0.02 0.00 0.00 175.26 175.22 1xxe s VAL 91 N 2.90 4.48 -0.44 2.63 1.01 -0.77 -0.98 120.40 129.24 1xxe s VAL 91 Ca 0.34 -1.28 -0.26 0.00 0.00 0.00 0.00 61.98 60.78 1xxe s VAL 91 Cb -0.15 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.55 1xxe s VAL 91 CO 0.10 -0.50 0.96 -0.63 0.00 0.00 0.00 175.10 175.03 1xxe s ILE 92 N 1.48 4.46 -1.04 2.22 1.01 0.41 -4.76 121.20 124.99 1xxe s ILE 92 Ca 0.03 0.96 0.00 0.00 0.00 0.00 0.00 60.65 61.64 1xxe s ILE 92 Cb -0.23 -4.43 0.00 0.00 0.01 0.00 0.00 42.46 37.81 1xxe s ILE 92 CO 0.03 -0.78 0.00 0.61 0.00 0.00 0.00 174.94 174.81 1xxe n GLY 93 N 4.75 0.87 0.00 6.18 0.00 -1.26 -2.21 105.19 113.52 1xxe n GLY 93 Ca 0.07 -2.25 0.07 0.00 0.00 0.00 0.00 46.02 43.92 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 0.63 1.30 -4.17 1.61 5.15 -1.26 -4.96 115.26 113.56 1xxe n ASN 94 Ca 0.00 -0.27 -0.28 0.00 -0.60 0.00 0.00 54.58 53.43 1xxe n ASN 94 Cb 0.00 1.47 -0.16 0.00 -0.53 0.00 0.00 39.78 40.55 1xxe n ASN 94 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 1xxe s GLU 95 N -2.83 2.20 0.05 1.20 -6.30 -1.26 -1.55 118.70 110.22 1xxe s GLU 95 Ca -0.02 -0.70 -0.31 0.00 -2.50 0.00 0.00 54.97 51.44 1xxe s GLU 95 Cb 0.10 -1.82 -0.07 0.00 0.00 0.00 0.00 34.13 32.34 1xxe s GLU 95 CO 0.61 0.23 1.49 0.42 0.02 0.00 0.00 175.26 178.03 1xxe s ILE 96 N 0.14 3.36 0.01 -3.70 -1.09 -0.95 -4.63 121.20 114.33 1xxe s ILE 96 Ca -0.08 0.83 -0.38 0.00 -2.23 0.00 0.00 60.65 58.79 1xxe s ILE 96 Cb -0.14 -3.53 -0.17 0.00 -1.58 0.00 0.00 42.46 37.03 1xxe s ILE 96 CO 0.04 0.01 1.34 -2.65 -1.23 0.00 0.00 174.94 172.46 1xxe n PRO 97 N 5.09 0.88 0.16 2.79 -0.02 -1.26 -4.46 135.00 138.19 1xxe n PRO 97 Ca 0.14 0.32 0.04 0.00 -2.02 0.00 0.00 63.50 61.97 1xxe n PRO 97 Cb 0.42 -1.93 0.17 0.00 -0.02 0.00 0.00 33.50 32.13 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 3.55 0.88 0.00 4.25 6.09 -1.22 -3.48 117.51 127.59 1xxe h ILE 98 Ca -0.48 -1.93 0.00 0.00 -1.37 0.00 0.00 64.86 61.08 1xxe h ILE 98 Cb 1.35 2.21 0.00 0.00 0.47 0.00 0.00 36.82 40.85 1xxe h ILE 98 CO 0.78 0.45 0.00 0.18 -3.07 0.00 0.00 178.15 176.49 1xxe n LEU 99 N -3.36 0.00 0.04 2.19 4.77 -1.26 -0.59 117.00 118.79 1xxe n LEU 99 Ca 0.01 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.07 1xxe n LEU 99 Cb 0.64 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.64 1xxe n LEU 99 CO 0.39 0.00 -0.39 -0.67 -1.33 0.00 0.00 177.39 175.39 1xxe n ASP 100 N 8.41 0.48 0.00 -1.43 2.03 -1.26 -4.64 116.55 120.14 1xxe n ASP 100 Ca 0.00 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.50 1xxe n ASP 100 Cb 0.00 1.01 0.00 0.00 -0.72 0.00 0.00 41.12 41.41 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 1.28 0.85 0.00 0.27 0.00 0.24 -4.29 105.19 103.53 1xxe n GLY 101 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 1.67 -0.12 1.61 3.41 -1.26 -1.92 113.62 117.01 1xxe n SER 102 Ca 0.00 -0.78 0.03 0.00 -0.26 0.00 0.00 58.87 57.86 1xxe n SER 102 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 5.00 -0.13 0.32 5.00 0.00 -0.95 -4.65 105.19 109.78 1xxe n GLY 103 Ca 0.00 -0.18 0.16 0.00 0.00 0.00 0.00 46.02 46.01 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 0.60 0.71 0.20 1.61 2.91 -1.82 0.38 115.95 120.55 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 0.20 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 28.69 1xxe h TRP 104 CO 0.00 -0.10 -0.10 0.93 -1.03 0.00 0.00 178.44 178.15 1xxe h GLU 105 N 0.37 -0.26 -0.48 2.65 3.07 -1.90 0.77 114.58 118.80 1xxe h GLU 105 Ca 0.61 0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.47 1xxe h GLU 105 Cb 1.25 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 29.19 1xxe h GLU 105 CO -0.57 -0.07 0.23 0.74 -1.40 0.00 0.00 179.01 177.94 1xxe h PHE 106 N -0.40 0.70 -0.59 4.33 0.04 -1.48 -1.65 116.94 117.88 1xxe h PHE 106 Ca -0.03 -0.04 -0.05 0.00 2.80 0.00 0.00 57.97 60.66 1xxe h PHE 106 Cb 0.31 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 1xxe h PHE 106 CO -0.03 0.56 0.18 -0.92 -0.60 0.00 0.00 178.31 177.50 1xxe h TYR 107 N 0.64 0.92 0.01 -0.55 5.03 -0.13 -0.71 116.97 122.18 1xxe h TYR 107 Ca 0.17 -0.08 -0.00 0.00 2.58 0.00 0.00 58.73 61.40 1xxe h TYR 107 Cb 0.12 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.13 1xxe h TYR 107 CO -0.01 0.75 -0.01 0.93 -1.32 0.00 0.00 178.16 178.50 1xxe h GLU 108 N 0.87 -0.01 0.04 1.82 4.39 0.98 -2.12 114.58 120.54 1xxe h GLU 108 Ca 0.20 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.89 1xxe h GLU 108 Cb 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1xxe h GLU 108 CO -0.01 0.55 -0.02 0.00 -1.16 0.00 0.00 179.01 178.37 1xxe h ALA 109 N 0.39 -0.05 -0.77 3.43 0.00 -1.32 -3.22 119.26 117.72 1xxe h ALA 109 Ca -0.00 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.61 1xxe h ALA 109 Cb 0.57 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1xxe h ALA 109 CO 0.00 -0.15 0.49 0.82 0.00 0.00 0.00 179.25 180.41 1xxe h ILE 110 N -0.80 1.12 -0.55 0.00 2.04 -1.28 -0.73 117.51 117.31 1xxe h ILE 110 Ca -0.01 -0.33 0.16 0.00 1.00 0.00 0.00 64.86 65.68 1xxe h ILE 110 Cb 0.68 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1xxe h ILE 110 CO 0.01 0.18 0.42 -0.09 0.00 0.00 0.00 178.15 178.66 1xxe h ARG 111 N 0.96 0.00 0.00 2.37 2.43 -1.46 0.48 114.38 119.16 1xxe h ARG 111 Ca 0.31 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 1xxe h ARG 111 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1xxe h ARG 111 CO -0.11 0.00 -0.28 1.17 -1.51 0.00 0.00 179.97 179.24 1xxe n LYS 112 N -4.27 0.10 -0.83 0.20 4.81 -0.30 -3.90 118.16 113.97 1xxe n LYS 112 Ca 0.10 0.05 0.01 0.00 -0.87 0.00 0.00 58.31 57.60 1xxe n LYS 112 Cb 0.64 -1.58 0.18 0.00 0.02 0.00 0.00 35.03 34.29 1xxe n LYS 112 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1xxe n ASN 113 N -1.74 2.25 -4.85 3.14 4.13 0.16 -5.03 115.26 113.32 1xxe n ASN 113 Ca 0.06 -3.88 -0.33 0.00 1.68 0.00 0.00 54.58 52.10 1xxe n ASN 113 Cb 0.37 -0.50 -0.06 0.00 -1.54 0.00 0.00 39.78 38.05 1xxe n ASN 113 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1xxe s ILE 114 N -3.46 4.81 0.15 2.41 1.01 -0.97 0.36 121.20 125.51 1xxe s ILE 114 Ca 0.40 0.76 0.05 0.00 0.00 0.00 0.00 60.65 61.87 1xxe s ILE 114 Cb 0.38 -3.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 1xxe s ILE 114 CO -0.05 -0.00 -0.12 -0.22 0.00 0.00 0.00 174.94 174.55 1xxe s LEU 115 N -2.58 2.50 -0.09 2.97 2.96 0.32 -4.43 118.68 120.33 1xxe s LEU 115 Ca 0.47 -0.95 -0.01 0.00 -0.22 0.00 0.00 54.13 53.41 1xxe s LEU 115 Cb -0.12 -0.44 -0.03 0.00 0.50 0.00 0.00 46.19 46.09 1xxe s LEU 115 CO 0.20 -0.26 -0.05 0.20 -1.32 0.00 0.00 176.35 175.12 1xxe s ASN 116 N -2.98 4.81 0.00 3.68 0.01 -1.26 -1.63 114.94 117.57 1xxe s ASN 116 Ca 0.15 -0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.29 1xxe s ASN 116 Cb -0.00 -1.39 0.00 0.00 0.41 0.00 0.00 41.25 40.27 1xxe s ASN 116 CO 0.02 0.32 0.00 0.00 -1.51 0.00 0.00 177.10 175.93 1xxe n GLN 117 N 2.52 2.72 0.00 -0.60 6.02 0.04 -4.90 117.38 123.18 1xxe n GLN 117 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.81 1xxe n GLN 117 Cb 0.53 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.79 1xxe n GLN 117 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1xxe n ASN 118 N -0.43 0.97 -4.83 1.08 6.94 -1.26 -4.68 115.26 113.04 1xxe n ASN 118 Ca 0.00 -1.06 -0.36 0.00 -0.02 0.00 0.00 54.58 53.14 1xxe n ASN 118 Cb 0.00 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.36 1xxe n ASN 118 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1xxe s ARG 119 N -0.06 4.07 0.01 -3.83 3.52 -1.26 -4.86 118.95 116.55 1xxe s ARG 119 Ca 0.00 0.61 -0.26 0.00 -0.13 0.00 0.00 55.73 55.95 1xxe s ARG 119 Cb 0.00 -2.96 -0.04 0.00 -1.56 0.00 0.00 34.95 30.39 1xxe s ARG 119 CO 0.00 0.48 0.81 -2.00 -0.81 0.00 0.00 175.30 173.78 1xxe s GLU 120 N -1.85 4.51 0.29 5.12 2.12 -1.26 0.32 118.70 127.95 1xxe s GLU 120 Ca 0.38 1.12 -0.29 0.00 0.36 0.00 0.00 54.97 56.54 1xxe s GLU 120 Cb -0.16 -3.41 -0.09 0.00 0.26 0.00 0.00 34.13 30.72 1xxe s GLU 120 CO 0.20 0.13 1.10 0.42 -0.54 0.00 0.00 175.26 176.57 1xxe s ILE 121 N 0.45 3.49 -1.15 -3.70 1.01 -1.26 -4.61 121.20 115.43 1xxe s ILE 121 Ca 0.42 1.47 -0.18 0.00 0.00 0.00 0.00 60.65 62.36 1xxe s ILE 121 Cb -0.20 -3.92 0.10 0.00 0.01 0.00 0.00 42.46 38.45 1xxe s ILE 121 CO 0.23 0.32 1.49 -0.62 0.00 0.00 0.00 174.94 176.37 1xxe s ASP 122 N -0.94 6.78 0.49 3.58 2.15 -1.26 -4.74 116.67 122.73 1xxe s ASP 122 Ca 0.46 -2.28 -0.23 0.00 0.43 0.00 0.00 52.55 50.93 1xxe s ASP 122 Cb -0.31 -2.50 -0.07 0.00 -0.30 0.00 0.00 42.92 39.73 1xxe s ASP 122 CO 0.40 -1.13 1.28 -1.22 -0.17 0.00 0.00 175.17 174.33 1xxe n TYR 123 N 7.53 2.07 -3.93 -5.34 4.01 -1.26 -4.75 117.16 115.49 1xxe n TYR 123 Ca 0.38 0.46 -0.35 0.00 -0.16 0.00 0.00 57.90 58.23 1xxe n TYR 123 Cb 0.47 -2.35 -0.11 0.00 -0.31 0.00 0.00 39.34 37.04 1xxe n TYR 123 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1xxe s PHE 124 N -1.27 3.14 0.01 -0.72 2.19 -0.36 -5.00 117.98 115.97 1xxe s PHE 124 Ca 0.67 -0.20 0.05 0.00 0.33 0.00 0.00 56.93 57.78 1xxe s PHE 124 Cb -0.46 -2.15 -0.02 0.00 -1.31 0.00 0.00 43.02 39.09 1xxe s PHE 124 CO 0.53 -0.12 -0.15 0.08 1.83 0.00 0.00 175.22 177.39 1xxe s VAL 125 N 0.99 1.22 0.10 3.12 1.01 -1.26 -0.14 120.40 125.44 1xxe s VAL 125 Ca 0.04 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 60.90 1xxe s VAL 125 Cb -0.14 -1.05 -0.06 0.00 0.00 0.00 0.00 36.38 35.13 1xxe s VAL 125 CO 0.03 0.21 0.91 -0.69 0.00 0.00 0.00 175.10 175.56 1xxe s VAL 126 N -0.58 4.54 -0.15 2.92 1.01 -0.41 -4.92 120.40 122.82 1xxe s VAL 126 Ca 0.05 1.96 0.04 0.00 0.00 0.00 0.00 61.98 64.03 1xxe s VAL 126 Cb -0.07 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 1xxe s VAL 126 CO 0.00 0.34 0.15 -0.62 0.00 0.00 0.00 175.10 174.97 1xxe n GLU 127 N 2.75 5.01 -3.86 2.72 1.02 -1.26 -4.26 120.64 122.76 1xxe n GLU 127 Ca 0.01 -0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.03 1xxe n GLU 127 Cb 0.49 -0.73 -0.13 0.00 -0.02 0.00 0.00 31.44 31.05 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 -1.47 0.13 0.95 3.49 -1.05 -1.26 -4.83 118.70 114.66 1xxe s GLU 128 Ca 0.01 -0.02 -0.12 0.00 -0.15 0.00 0.00 54.97 54.69 1xxe s GLU 128 Cb 0.03 0.05 0.16 0.00 -0.44 0.00 0.00 34.13 33.93 1xxe s GLU 128 CO 0.15 -0.02 1.12 -1.25 0.95 0.00 0.00 175.26 176.21 1xxe s PRO 129 N -0.22 0.80 -0.25 -4.83 0.04 -1.26 -4.65 135.00 124.61 1xxe s PRO 129 Ca -0.03 0.38 -0.26 0.00 0.04 0.00 0.00 61.00 61.14 1xxe s PRO 129 Cb -0.02 -1.79 0.11 0.00 0.04 0.00 0.00 34.50 32.83 1xxe s PRO 129 CO 0.00 -2.45 0.92 -1.50 0.04 0.00 0.00 177.00 174.01 1xxe s ILE 130 N -3.14 0.00 -0.10 0.56 2.07 -0.90 -4.96 121.20 114.73 1xxe s ILE 130 Ca 0.64 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.90 1xxe s ILE 130 Cb -0.16 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.44 1xxe s ILE 130 CO 0.55 0.00 -0.12 -0.63 -1.91 0.00 0.00 174.94 172.83 1xxe s ILE 131 N 0.06 1.24 -0.17 2.00 1.01 -1.26 -1.20 121.20 122.88 1xxe s ILE 131 Ca 0.01 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.19 1xxe s ILE 131 Cb -0.04 -1.17 0.02 0.00 0.01 0.00 0.00 42.46 41.27 1xxe s ILE 131 CO -0.03 0.39 -0.20 0.68 0.00 0.00 0.00 174.94 175.78 1xxe s VAL 132 N 1.13 2.06 0.03 2.92 -7.23 -0.60 -4.98 120.40 113.73 1xxe s VAL 132 Ca -0.05 -0.94 0.01 0.00 -1.81 0.00 0.00 61.98 59.18 1xxe s VAL 132 Cb -0.14 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.91 1xxe s VAL 132 CO -0.03 0.54 0.09 -0.70 -0.31 0.00 0.00 175.10 174.70 1xxe s GLU 133 N 1.22 3.04 -0.28 4.82 2.12 -1.26 -1.63 118.70 126.73 1xxe s GLU 133 Ca 0.03 -0.55 -0.03 0.00 0.36 0.00 0.00 54.97 54.78 1xxe s GLU 133 Cb -0.13 -2.83 0.16 0.00 0.26 0.00 0.00 34.13 31.58 1xxe s GLU 133 CO -0.11 0.62 0.53 0.34 -0.54 0.00 0.00 175.26 176.10 1xxe s ASP 134 N -2.01 -0.83 -1.46 -1.70 2.15 -0.07 -4.94 116.67 107.81 1xxe s ASP 134 Ca 0.26 0.83 -0.08 0.00 0.43 0.00 0.00 52.55 53.99 1xxe s ASP 134 Cb -0.12 1.84 0.01 0.00 -0.30 0.00 0.00 42.92 44.35 1xxe s ASP 134 CO 0.18 -0.26 0.20 -0.62 -0.17 0.00 0.00 175.17 174.49 1xxe n GLU 135 N 5.41 -1.04 -0.84 4.34 1.02 -1.26 0.99 120.64 129.27 1xxe n GLU 135 Ca -0.04 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1xxe n GLU 135 Cb 0.50 -3.46 0.00 0.00 -0.02 0.00 0.00 31.44 28.46 1xxe n GLU 135 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xxe n GLY 136 N -2.41 0.79 3.86 0.62 0.00 -1.26 -5.03 105.19 101.76 1xxe n GLY 136 Ca -0.28 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.16 2.85 -0.06 1.61 0.52 0.28 -4.90 118.95 119.09 1xxe s ARG 137 Ca 0.00 -1.17 -0.31 0.00 -0.52 0.00 0.00 55.73 53.73 1xxe s ARG 137 Cb 0.00 -2.55 0.07 0.00 0.52 0.00 0.00 34.95 32.99 1xxe s ARG 137 CO 0.00 0.21 0.69 -1.17 0.02 0.00 0.00 175.30 175.05 1xxe s LEU 138 N -3.95 -0.66 -0.10 2.53 0.20 -0.89 -0.90 118.68 114.91 1xxe s LEU 138 Ca 0.38 0.74 -0.06 0.00 0.69 0.00 0.00 54.13 55.87 1xxe s LEU 138 Cb -0.07 2.52 0.04 0.00 -0.43 0.00 0.00 46.19 48.25 1xxe s LEU 138 CO 0.26 -0.59 0.25 -0.63 -0.29 0.00 0.00 176.35 175.36 1xxe s ILE 139 N -1.13 -0.03 -0.02 6.68 1.01 -0.65 -0.90 121.20 126.17 1xxe s ILE 139 Ca -0.10 0.10 0.06 0.00 0.00 0.00 0.00 60.65 60.70 1xxe s ILE 139 Cb -0.00 -0.38 -0.01 0.00 0.01 0.00 0.00 42.46 42.07 1xxe s ILE 139 CO 0.09 0.04 -0.20 -0.75 0.00 0.00 0.00 174.94 174.13 1xxe s LYS 140 N 0.91 1.61 0.03 2.79 2.20 -0.17 -1.55 119.74 125.56 1xxe s LYS 140 Ca -0.06 -0.70 0.09 0.00 -0.36 0.00 0.00 55.97 54.93 1xxe s LYS 140 Cb -0.08 -1.55 -0.03 0.00 -1.51 0.00 0.00 37.83 34.67 1xxe s LYS 140 CO -0.06 0.41 -0.25 0.00 -0.36 0.00 0.00 175.35 175.09 1xxe s ALA 141 N -0.43 2.15 -0.05 3.13 0.00 -0.34 -0.16 121.76 126.06 1xxe s ALA 141 Ca 0.07 -1.20 -0.04 0.00 0.00 0.00 0.00 51.96 50.78 1xxe s ALA 141 Cb -0.08 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.59 1xxe s ALA 141 CO -0.01 0.51 0.13 -2.00 0.00 0.00 0.00 175.76 174.40 1xxe s GLU 142 N -1.10 0.15 0.52 0.00 2.12 0.59 -2.12 118.70 118.86 1xxe s GLU 142 Ca 0.11 0.19 -0.22 0.00 0.36 0.00 0.00 54.97 55.42 1xxe s GLU 142 Cb -0.10 0.06 -0.07 0.00 0.26 0.00 0.00 34.13 34.28 1xxe s GLU 142 CO 0.01 -0.03 1.13 -0.35 -0.54 0.00 0.00 175.26 175.48 1xxe n PRO 143 N 3.10 1.36 -3.54 4.30 -0.04 -1.26 0.51 135.00 139.42 1xxe n PRO 143 Ca -0.13 0.50 -0.11 0.00 -0.04 0.00 0.00 63.50 63.71 1xxe n PRO 143 Cb 0.59 -2.29 -0.04 0.00 -0.04 0.00 0.00 33.50 31.72 1xxe n PRO 143 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xxe s SER 144 N -0.95 -0.43 0.00 3.54 0.15 -1.26 -4.31 113.70 110.44 1xxe s SER 144 Ca 0.70 0.33 0.28 0.00 0.70 0.00 0.00 55.95 57.96 1xxe s SER 144 Cb -0.46 0.38 1.28 0.00 -1.71 0.00 0.00 66.02 65.51 1xxe s SER 144 CO 0.51 -0.49 1.87 0.47 1.20 0.00 0.00 173.24 176.80 1xxe n ASP 145 N 0.45 1.01 -4.02 5.45 9.92 -1.26 -3.60 116.55 124.50 1xxe n ASP 145 Ca -0.12 -1.37 -0.14 0.00 -0.53 0.00 0.00 54.79 52.64 1xxe n ASP 145 Cb 0.59 -0.01 -0.12 0.00 -0.64 0.00 0.00 41.12 40.94 1xxe n ASP 145 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1xxe s THR 146 N -1.98 0.46 -0.25 -3.53 -4.23 -1.26 -4.93 115.64 99.92 1xxe s THR 146 Ca 0.40 -0.75 -0.29 0.00 -1.18 0.00 0.00 61.69 59.87 1xxe s THR 146 Cb 0.21 -0.49 0.00 0.00 1.34 0.00 0.00 72.50 73.56 1xxe s THR 146 CO 0.33 -0.21 1.19 -0.22 -0.54 0.00 0.00 174.62 175.17 1xxe s LEU 147 N -1.04 4.02 -0.01 4.79 2.96 -1.26 -3.22 118.68 124.91 1xxe s LEU 147 Ca -0.06 1.33 0.00 0.00 -0.22 0.00 0.00 54.13 55.19 1xxe s LEU 147 Cb -0.07 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.10 1xxe s LEU 147 CO 0.00 -0.87 0.01 -0.70 -1.32 0.00 0.00 176.35 173.48 1xxe s GLU 148 N 3.67 0.04 -0.07 1.98 2.12 -0.90 -3.03 118.70 122.52 1xxe s GLU 148 Ca 0.51 0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.93 1xxe s GLU 148 Cb -0.17 -0.20 0.02 0.00 0.26 0.00 0.00 34.13 34.04 1xxe s GLU 148 CO 0.16 -0.09 -0.05 0.08 -0.54 0.00 0.00 175.26 174.81 1xxe s VAL 149 N 0.64 0.69 -0.12 3.70 1.01 -0.85 -0.32 120.40 125.16 1xxe s VAL 149 Ca -0.06 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 61.76 1xxe s VAL 149 Cb -0.08 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 1xxe s VAL 149 CO -0.02 0.28 -0.11 -0.89 0.00 0.00 0.00 175.10 174.37 1xxe s THR 150 N 1.27 3.28 -0.09 3.92 2.01 0.40 -1.08 115.64 125.34 1xxe s THR 150 Ca -0.05 -0.59 0.04 0.00 0.31 0.00 0.00 61.69 61.39 1xxe s THR 150 Cb -0.14 -2.37 0.00 0.00 0.01 0.00 0.00 72.50 70.00 1xxe s THR 150 CO -0.02 0.53 -0.22 -0.47 -0.69 0.00 0.00 174.62 173.75 1xxe s TYR 151 N 0.09 2.36 -0.37 4.92 5.04 -0.94 1.00 117.35 129.45 1xxe s TYR 151 Ca -0.04 -0.95 -0.02 0.00 -2.44 0.00 0.00 57.07 53.62 1xxe s TYR 151 Cb -0.14 -1.59 0.09 0.00 0.35 0.00 0.00 41.96 40.66 1xxe s TYR 151 CO 0.04 -0.39 0.13 -2.00 -1.34 0.00 0.00 175.55 171.99 1xxe s GLU 152 N 0.38 2.10 -0.20 4.97 2.12 0.14 -1.78 118.70 126.43 1xxe s GLU 152 Ca -0.18 -1.64 -0.16 0.00 0.36 0.00 0.00 54.97 53.35 1xxe s GLU 152 Cb -0.17 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.75 1xxe s GLU 152 CO 0.08 -0.92 0.41 0.20 -0.54 0.00 0.00 175.26 174.49 1xxe s GLY 153 N 1.56 2.10 -0.86 -1.50 0.00 0.10 -1.37 107.32 107.34 1xxe s GLY 153 Ca 0.04 -0.50 -0.05 0.00 0.00 0.00 0.00 44.72 44.21 1xxe s GLY 153 CO -0.03 0.83 0.76 1.85 0.00 0.00 0.00 173.10 176.51 1xxe s GLU 154 N 1.30 3.34 0.26 2.90 2.12 -1.26 -0.66 118.70 126.70 1xxe s GLU 154 Ca 0.20 -2.95 -0.15 0.00 0.36 0.00 0.00 54.97 52.42 1xxe s GLU 154 Cb -0.15 -4.10 -0.08 0.00 0.26 0.00 0.00 34.13 30.06 1xxe s GLU 154 CO 0.08 -1.24 0.68 -0.06 -0.54 0.00 0.00 175.26 174.18 1xxe s PHE 155 N -0.77 3.47 -2.69 5.30 0.40 0.41 -4.95 117.98 119.14 1xxe s PHE 155 Ca 0.24 1.17 0.25 0.00 -0.60 0.00 0.00 56.93 57.99 1xxe s PHE 155 Cb -0.11 -2.48 0.54 0.00 0.51 0.00 0.00 43.02 41.48 1xxe s PHE 155 CO -0.09 0.22 1.46 1.63 0.70 0.00 0.00 175.22 179.14 1xxe n LYS 156 N 0.05 2.09 0.00 0.44 4.76 -1.26 -3.46 118.16 120.77 1xxe n LYS 156 Ca 0.01 -1.61 0.00 0.00 -2.87 0.00 0.00 58.31 53.84 1xxe n LYS 156 Cb 0.52 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.25 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 0.91 -0.27 0.29 4.39 6.94 -1.26 -4.80 115.26 121.46 1xxe n ASN 157 Ca 0.17 -0.58 0.14 0.00 -0.02 0.00 0.00 54.58 54.29 1xxe n ASN 157 Cb 0.50 0.00 0.87 0.00 -2.36 0.00 0.00 39.78 38.79 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 -0.91 0.00 0.09 -2.53 -5.15 -1.56 -2.58 116.94 104.31 1xxe h PHE 158 Ca 0.00 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.77 1xxe h PHE 158 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.17 1xxe h PHE 158 CO 0.00 0.03 -0.06 -0.07 -2.00 0.00 0.00 178.31 176.21 1xxe h LEU 159 N 0.00 -0.15 0.00 2.10 3.38 -1.89 -3.48 115.31 115.28 1xxe h LEU 159 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xxe h LEU 159 Cb 0.09 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1xxe h LEU 159 CO 0.00 -0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.05 1xxe n GLY 160 N -1.17 0.81 3.73 0.83 0.00 -0.98 -4.83 105.19 103.59 1xxe n GLY 160 Ca -0.08 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.61 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 3.39 -0.01 1.61 0.52 -1.26 -0.45 118.95 122.75 1xxe s ARG 161 Ca 0.00 -0.31 -0.01 0.00 -0.52 0.00 0.00 55.73 54.89 1xxe s ARG 161 Cb 0.00 -3.02 0.01 0.00 0.52 0.00 0.00 34.95 32.46 1xxe s ARG 161 CO 0.00 0.61 0.03 -0.65 0.02 0.00 0.00 175.30 175.31 1xxe s GLN 162 N -0.59 0.02 0.02 3.54 1.11 0.17 -4.98 119.66 118.96 1xxe s GLN 162 Ca 0.11 0.07 0.03 0.00 0.01 0.00 0.00 55.36 55.57 1xxe s GLN 162 Cb -0.12 -0.02 -0.01 0.00 -1.01 0.00 0.00 33.01 31.84 1xxe s GLN 162 CO 0.02 -0.03 -0.09 -1.59 0.01 0.00 0.00 175.29 173.61 1xxe s LYS 163 N 0.19 0.66 -0.03 2.91 -2.85 -1.26 0.00 119.74 119.36 1xxe s LYS 163 Ca -0.01 -0.53 -0.00 0.00 -1.00 0.00 0.00 55.97 54.42 1xxe s LYS 163 Cb -0.02 -0.60 0.03 0.00 -2.06 0.00 0.00 37.83 35.18 1xxe s LYS 163 CO -0.01 0.15 0.02 0.12 0.10 0.00 0.00 175.35 175.73 1xxe s PHE 164 N -0.68 0.21 -0.24 1.78 5.36 -0.74 -4.99 117.98 118.69 1xxe s PHE 164 Ca -0.01 0.06 -0.09 0.00 -0.96 0.00 0.00 56.93 55.93 1xxe s PHE 164 Cb -0.06 -0.38 -0.04 0.00 -0.34 0.00 0.00 43.02 42.20 1xxe s PHE 164 CO 0.00 -0.13 0.11 0.99 -1.46 0.00 0.00 175.22 174.73 1xxe s THR 165 N 1.19 4.83 -0.13 0.12 2.01 -1.26 -2.20 115.64 120.19 1xxe s THR 165 Ca -0.07 -0.00 -0.06 0.00 0.31 0.00 0.00 61.69 61.86 1xxe s THR 165 Cb -0.13 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 1xxe s THR 165 CO -0.02 0.35 0.10 0.12 -0.69 0.00 0.00 174.62 174.48 1xxe s PHE 166 N 1.27 3.45 0.10 4.92 5.36 -0.24 -4.98 117.98 127.87 1xxe s PHE 166 Ca 0.06 0.39 0.03 0.00 -0.96 0.00 0.00 56.93 56.44 1xxe s PHE 166 Cb -0.14 -1.95 -0.04 0.00 -0.34 0.00 0.00 43.02 40.54 1xxe s PHE 166 CO 0.05 0.57 -0.08 0.08 -1.46 0.00 0.00 175.22 174.37 1xxe s VAL 167 N -0.67 0.82 -0.06 3.12 1.01 -1.26 -2.00 120.40 121.36 1xxe s VAL 167 Ca 0.12 -1.84 -0.31 0.00 0.00 0.00 0.00 61.98 59.96 1xxe s VAL 167 Cb -0.12 -1.57 -0.09 0.00 0.00 0.00 0.00 36.38 34.60 1xxe s VAL 167 CO 0.02 -0.75 2.02 -0.62 0.00 0.00 0.00 175.10 175.77 1xxe n GLU 168 N 0.16 2.45 0.00 2.72 1.02 -1.17 -1.81 120.64 124.01 1xxe n GLU 168 Ca -0.13 0.85 0.00 0.00 -0.02 0.00 0.00 57.16 57.86 1xxe n GLU 168 Cb 0.60 -2.96 0.00 0.00 -0.02 0.00 0.00 31.44 29.06 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 4.87 1.09 1.23 0.62 0.00 -1.26 -4.96 105.19 106.77 1xxe n GLY 169 Ca 0.24 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.30 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 1.19 0.08 1.61 4.13 -0.75 -4.85 115.26 116.67 1xxe n ASN 170 Ca 0.00 -2.53 0.02 0.00 1.68 0.00 0.00 54.58 53.75 1xxe n ASN 170 Cb 0.00 -0.36 0.37 0.00 -1.54 0.00 0.00 39.78 38.25 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 0.98 0.33 0.00 3.52 5.08 -1.94 -2.43 114.58 120.12 1xxe h GLU 171 Ca -0.16 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1xxe h GLU 171 Cb 1.64 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.84 1xxe h GLU 171 CO 0.07 0.42 0.18 0.93 -1.00 0.00 0.00 179.01 179.61 1xxe h GLU 172 N 0.32 0.00 -0.01 2.33 3.07 -1.97 0.19 114.58 118.51 1xxe h GLU 172 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 1xxe h GLU 172 Cb 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1xxe h GLU 172 CO 0.02 0.00 -0.16 0.39 -1.40 0.00 0.00 179.01 177.86 1xxe n GLU 173 N -2.56 0.96 0.00 2.33 1.02 -0.92 -4.12 120.64 117.35 1xxe n GLU 173 Ca -0.02 -0.49 0.00 0.00 -0.02 0.00 0.00 57.16 56.63 1xxe n GLU 173 Cb 0.22 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 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 -0.59 0.00 0.03 -3.67 -5.35 0.61 -4.66 119.36 105.73 1xxe n ILE 174 Ca 0.15 -0.27 -0.07 0.00 -0.27 0.00 0.00 62.75 62.29 1xxe n ILE 174 Cb 0.32 0.84 -0.12 0.00 -1.74 0.00 0.00 39.64 38.95 1xxe n ILE 174 CO 0.00 0.00 0.00 -0.37 -1.76 0.00 0.00 176.55 174.42 1xxe h VAL 175 N 0.00 1.27 -0.07 7.28 -1.51 -1.58 -3.28 116.25 118.36 1xxe h VAL 175 Ca 0.00 -3.01 0.00 0.00 -1.23 0.00 0.00 66.70 62.46 1xxe h VAL 175 Cb 0.00 2.62 0.00 0.00 -2.13 0.00 0.00 31.29 31.78 1xxe h VAL 175 CO 0.00 0.72 0.00 0.18 -1.23 0.00 0.00 177.57 177.24 1xxe n LEU 176 N -3.20 1.38 -4.67 4.19 4.77 -1.26 -2.23 117.00 115.98 1xxe n LEU 176 Ca -0.07 -0.52 -0.43 0.00 -0.03 0.00 0.00 56.01 54.97 1xxe n LEU 176 Cb 0.97 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.99 1xxe n LEU 176 CO 0.46 0.26 0.93 0.00 -1.33 0.00 0.00 177.39 177.70 1xxe s ALA 177 N -1.92 3.60 0.26 -1.18 0.00 -1.24 -4.92 121.76 116.37 1xxe s ALA 177 Ca 0.36 0.32 -0.13 0.00 0.00 0.00 0.00 51.96 52.50 1xxe s ALA 177 Cb 0.19 -3.54 -0.08 0.00 0.00 0.00 0.00 23.12 19.70 1xxe s ALA 177 CO 0.30 -0.95 0.64 1.03 0.00 0.00 0.00 175.76 176.78 1xxe s ARG 178 N 2.91 3.94 1.07 0.00 3.00 -1.26 -4.46 118.95 124.15 1xxe s ARG 178 Ca 0.48 0.51 -0.15 0.00 0.00 0.00 0.00 55.73 56.57 1xxe s ARG 178 Cb -0.18 -2.59 0.12 0.00 0.00 0.00 0.00 34.95 32.30 1xxe s ARG 178 CO 0.12 0.27 0.37 -2.37 0.00 0.00 0.00 175.30 173.69 1xxe n THR 179 N -0.09 0.00 -4.05 0.02 5.66 -0.81 -4.79 114.28 110.22 1xxe n THR 179 Ca 0.01 -0.28 -0.13 0.00 -3.05 0.00 0.00 64.05 60.60 1xxe n THR 179 Cb 0.53 -0.71 -0.04 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 -2.34 0.88 0.01 1.09 -0.71 -1.26 -2.30 117.98 113.34 1xxe s PHE 180 Ca 0.59 -1.17 -0.29 0.00 -1.04 0.00 0.00 56.93 55.02 1xxe s PHE 180 Cb -0.18 0.05 0.10 0.00 -1.21 0.00 0.00 43.02 41.78 1xxe s PHE 180 CO 0.66 -1.16 1.02 0.00 -1.34 0.00 0.00 175.22 174.39 1xxe s PHE 182 N -2.95 3.29 0.20 0.00 0.08 -1.26 -0.55 117.98 116.78 1xxe s PHE 182 Ca 0.09 0.21 0.35 0.00 0.12 0.00 0.00 56.93 57.70 1xxe s PHE 182 Cb -0.00 -1.74 1.73 0.00 -0.57 0.00 0.00 43.02 42.43 1xxe s PHE 182 CO -0.04 0.55 2.05 0.38 -0.10 0.00 0.00 175.22 178.06 1xxe h ASP 183 N 4.13 0.00 1.19 1.36 2.03 -1.83 -1.33 116.42 121.96 1xxe h ASP 183 Ca -0.49 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 55.65 1xxe h ASP 183 Cb 1.18 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.66 1xxe h ASP 183 CO 0.62 0.00 -0.83 4.11 -1.03 0.00 0.00 179.24 182.11 1xxe h TRP 184 N 0.00 0.00 0.00 4.15 0.09 -1.94 -3.30 115.95 114.95 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 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.41 1xxe h TRP 184 CO 0.00 0.74 -1.39 -0.85 0.09 0.00 0.00 178.44 177.03 1xxe n GLU 185 N -3.25 0.34 0.03 0.12 0.28 -0.86 -4.40 120.64 112.90 1xxe n GLU 185 Ca -0.00 -0.07 -0.10 0.00 -0.16 0.00 0.00 57.16 56.82 1xxe n GLU 185 Cb 0.84 -1.54 -0.04 0.00 1.43 0.00 0.00 31.44 32.13 1xxe n GLU 185 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1xxe h ILE 186 N 0.00 0.70 -0.29 3.84 2.04 -1.34 -1.65 117.51 120.81 1xxe h ILE 186 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 1xxe h ILE 186 Cb 0.76 0.70 -0.07 0.00 -0.74 0.00 0.00 36.82 37.46 1xxe h ILE 186 CO 0.00 0.00 -0.23 -0.33 0.00 0.00 0.00 178.15 177.59 1xxe h GLU 187 N -0.17 -0.20 -0.70 2.37 3.07 -1.77 0.34 114.58 117.52 1xxe h GLU 187 Ca 0.06 0.01 0.12 0.00 -0.50 0.00 0.00 59.36 59.05 1xxe h GLU 187 Cb 0.25 0.05 -0.09 0.00 -0.84 0.00 0.00 28.75 28.12 1xxe h GLU 187 CO -0.15 -0.13 0.27 1.25 -1.40 0.00 0.00 179.01 178.85 1xxe h HIS 188 N -0.21 0.47 -0.25 4.33 2.76 -1.71 0.83 115.15 121.37 1xxe h HIS 188 Ca 0.15 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.31 1xxe h HIS 188 Cb 0.44 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 1xxe h HIS 188 CO -0.40 0.09 -0.05 0.82 -1.30 0.00 0.00 177.93 177.08 1xxe h ILE 189 N 0.44 1.18 0.00 6.26 2.04 -0.03 -1.54 117.51 125.86 1xxe h ILE 189 Ca 0.37 -0.75 -0.11 0.00 1.00 0.00 0.00 64.86 65.37 1xxe h ILE 189 Cb 0.52 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1xxe h ILE 189 CO -0.36 0.25 -0.53 0.11 0.00 0.00 0.00 178.15 177.61 1xxe h LYS 190 N 0.38 0.00 0.00 2.37 1.57 0.34 -1.99 116.57 119.24 1xxe h LYS 190 Ca 0.08 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.74 1xxe h LYS 190 Cb 0.33 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1xxe h LYS 190 CO 0.01 0.53 -0.70 0.87 -0.57 0.00 0.00 179.45 179.59 1xxe h LYS 191 N 0.00 0.00 -0.02 3.15 1.79 0.11 -3.16 116.57 118.44 1xxe h LYS 191 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1xxe h LYS 191 Cb 1.40 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.05 1xxe h LYS 191 CO 0.07 0.45 0.00 1.33 -1.08 0.00 0.00 179.45 180.22 1xxe n VAL 192 N -3.15 0.03 -1.18 0.50 0.24 -0.64 -4.82 118.33 109.30 1xxe n VAL 192 Ca -0.00 -0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 1xxe n VAL 192 Cb 0.75 -0.07 0.00 0.00 -1.47 0.00 0.00 33.84 33.05 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 0.63 0.48 3.43 7.63 0.00 -1.19 -5.05 105.19 111.11 1xxe n GLY 193 Ca 0.05 -0.92 -0.21 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 2.49 -0.38 0.99 1.43 -0.75 -4.77 118.68 117.68 1xxe s LEU 194 Ca 0.00 -1.18 0.00 0.00 -1.03 0.00 0.00 54.13 51.92 1xxe s LEU 194 Cb 0.00 -0.65 0.00 0.00 0.03 0.00 0.00 46.19 45.57 1xxe s LEU 194 CO 0.00 -0.33 0.00 0.61 0.23 0.00 0.00 176.35 176.86 1xxe n GLY 195 N -0.58 0.66 0.29 -3.19 0.00 -1.24 -3.39 105.19 97.74 1xxe n GLY 195 Ca -0.06 -0.87 0.18 0.00 0.00 0.00 0.00 46.02 45.28 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 0.03 0.00 -0.01 1.61 1.57 -1.17 -2.32 116.57 116.27 1xxe h LYS 196 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1xxe h LYS 196 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1xxe h LYS 196 CO 0.11 0.01 -0.47 0.41 -0.57 0.00 0.00 179.45 178.94 1xxe n GLY 197 N -0.13 -0.07 3.69 3.86 0.00 1.05 -4.60 105.19 108.99 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 -2.32 1.46 0.17 -0.02 0.00 0.17 -4.58 107.32 102.19 1xxe s GLY 198 Ca 0.16 1.32 0.01 0.00 0.00 0.00 0.00 44.72 46.21 1xxe s GLY 198 CO 0.54 3.01 0.04 -1.26 0.00 0.00 0.00 173.10 175.43 1xxe n SER 199 N 5.63 1.47 0.03 1.64 2.88 -1.26 -5.03 113.62 118.98 1xxe n SER 199 Ca 0.17 -1.85 0.12 0.00 -1.33 0.00 0.00 58.87 55.97 1xxe n SER 199 Cb 0.39 0.33 0.12 0.00 -0.75 0.00 0.00 64.21 64.30 1xxe n SER 199 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1xxe n LEU 200 N 0.00 0.63 -0.51 2.46 4.77 -1.26 -2.29 117.00 120.79 1xxe n LEU 200 Ca -0.04 0.04 0.13 0.00 -0.03 0.00 0.00 56.01 56.11 1xxe n LEU 200 Cb 0.24 -0.16 0.38 0.00 -2.33 0.00 0.00 43.42 41.56 1xxe n LEU 200 CO 0.13 0.04 0.74 1.17 -1.33 0.00 0.00 177.39 178.14 1xxe n LYS 201 N -1.87 1.57 -0.10 3.23 4.81 -1.26 -4.12 118.16 120.42 1xxe n LYS 201 Ca 0.03 -1.03 0.00 0.00 -0.87 0.00 0.00 58.31 56.44 1xxe n LYS 201 Cb 0.41 -1.48 0.00 0.00 0.02 0.00 0.00 35.03 33.98 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 0.19 0.00 -3.56 3.14 5.03 -1.25 -4.75 115.26 114.07 1xxe n ASN 202 Ca 0.16 -1.17 -0.15 0.00 0.87 0.00 0.00 54.58 54.29 1xxe n ASN 202 Cb 0.40 -0.03 -0.13 0.00 -1.02 0.00 0.00 39.78 39.00 1xxe n ASN 202 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1xxe s THR 203 N 0.00 -0.38 -0.53 3.41 2.01 -0.97 -4.32 115.64 114.86 1xxe s THR 203 Ca 0.00 0.07 -0.28 0.00 0.31 0.00 0.00 61.69 61.79 1xxe s THR 203 Cb 0.00 -0.57 0.02 0.00 0.01 0.00 0.00 72.50 71.96 1xxe s THR 203 CO 0.00 -0.05 1.32 -0.22 -0.69 0.00 0.00 174.62 174.98 1xxe s LEU 204 N 2.38 3.47 -0.20 4.42 2.96 -0.97 -4.57 118.68 126.17 1xxe s LEU 204 Ca 0.05 0.34 -0.10 0.00 -0.22 0.00 0.00 54.13 54.20 1xxe s LEU 204 Cb -0.14 -3.22 -0.05 0.00 0.50 0.00 0.00 46.19 43.28 1xxe s LEU 204 CO -0.11 -1.55 0.13 -0.69 -1.32 0.00 0.00 176.35 172.81 1xxe s VAL 205 N 5.48 5.41 0.10 1.68 1.01 -1.26 -0.13 120.40 132.68 1xxe s VAL 205 Ca 0.51 0.20 0.06 0.00 0.00 0.00 0.00 61.98 62.74 1xxe s VAL 205 Cb -0.10 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1xxe s VAL 205 CO 0.27 0.44 -0.07 -0.76 0.00 0.00 0.00 175.10 174.98 1xxe s LEU 206 N 0.36 3.17 0.09 3.92 1.43 0.28 -2.61 118.68 125.32 1xxe s LEU 206 Ca 0.08 -0.31 0.04 0.00 -1.03 0.00 0.00 54.13 52.91 1xxe s LEU 206 Cb -0.11 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.13 1xxe s LEU 206 CO -0.02 0.18 0.06 -0.83 0.23 0.00 0.00 176.35 175.98 1xxe s GLY 207 N -2.20 1.96 0.58 -3.19 0.00 0.55 -2.33 107.32 102.69 1xxe s GLY 207 Ca 0.22 -1.07 0.35 0.00 0.00 0.00 0.00 44.72 44.23 1xxe s GLY 207 CO 0.15 -1.05 1.53 1.70 0.00 0.00 0.00 173.10 175.43 1xxe h LYS 208 N 3.23 0.00 0.00 2.90 3.64 -1.99 -2.55 116.57 121.80 1xxe h LYS 208 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1xxe h LYS 208 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1xxe h LYS 208 CO 0.64 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.42 1xxe n ASP 209 N -3.62 0.00 -3.94 4.20 5.75 -1.26 -1.57 116.55 116.11 1xxe n ASP 209 Ca 0.27 -1.00 -0.10 0.00 -0.01 0.00 0.00 54.79 53.95 1xxe n ASP 209 Cb 1.50 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 41.48 1xxe n ASP 209 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1xxe s LYS 210 N 0.00 0.34 -0.23 0.11 1.02 -0.96 -5.01 119.74 115.02 1xxe s LYS 210 Ca 0.00 -0.49 -0.12 0.00 0.02 0.00 0.00 55.97 55.39 1xxe s LYS 210 Cb 0.00 0.13 -0.05 0.00 -0.52 0.00 0.00 37.83 37.39 1xxe s LYS 210 CO 0.00 -0.07 0.21 0.08 -0.92 0.00 0.00 175.35 174.65 1xxe s VAL 211 N -1.31 5.33 -0.05 3.17 1.01 -1.26 0.21 120.40 127.50 1xxe s VAL 211 Ca -0.14 0.29 -0.21 0.00 0.00 0.00 0.00 61.98 61.92 1xxe s VAL 211 Cb -0.08 -3.55 -0.15 0.00 0.00 0.00 0.00 36.38 32.60 1xxe s VAL 211 CO -0.00 0.34 0.88 1.88 0.00 0.00 0.00 175.10 178.20 1xxe h TYR 212 N 7.38 -0.22 -2.48 5.22 -1.99 -1.84 -3.44 116.97 119.59 1xxe h TYR 212 Ca -0.38 -0.01 -0.57 0.00 2.00 0.00 0.00 58.73 59.77 1xxe h TYR 212 Cb 1.17 0.07 0.07 0.00 2.00 0.00 0.00 36.73 40.04 1xxe h TYR 212 CO 0.66 0.20 0.77 0.09 -0.00 0.00 0.00 178.16 179.88 1xxe n ASN 213 N -4.94 3.13 0.06 3.88 4.13 -1.26 -4.85 115.26 115.41 1xxe n ASN 213 Ca -0.08 1.10 0.10 0.00 1.68 0.00 0.00 54.58 57.39 1xxe n ASN 213 Cb 0.26 -1.45 0.43 0.00 -1.54 0.00 0.00 39.78 37.48 1xxe n ASN 213 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1xxe n PRO 214 N 2.99 0.10 0.00 3.52 -0.04 -1.26 -2.52 135.00 137.80 1xxe n PRO 214 Ca 0.15 0.28 0.13 0.00 -0.04 0.00 0.00 63.50 64.02 1xxe n PRO 214 Cb 0.30 -1.67 0.38 0.00 -0.04 0.00 0.00 33.50 32.48 1xxe n PRO 214 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1xxe n GLU 215 N -1.86 0.34 0.00 0.54 4.07 -1.26 -5.04 120.64 117.43 1xxe n GLU 215 Ca 0.04 -0.17 0.00 0.00 -0.06 0.00 0.00 57.16 56.96 1xxe n GLU 215 Cb 0.24 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.13 1xxe n GLU 215 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1xxe n GLY 216 N 1.42 -0.71 3.78 8.31 0.00 -1.05 -4.73 105.19 112.21 1xxe n GLY 216 Ca 0.09 -1.10 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 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 4.55 0.03 0.99 1.43 -1.26 -4.97 118.68 119.44 1xxe s LEU 217 Ca 0.00 1.50 -0.27 0.00 -1.03 0.00 0.00 54.13 54.34 1xxe s LEU 217 Cb 0.00 -3.17 -0.17 0.00 0.03 0.00 0.00 46.19 42.88 1xxe s LEU 217 CO 0.00 0.19 1.36 0.03 0.23 0.00 0.00 176.35 178.16 1xxe h ARG 218 N 4.63 -0.47 -6.73 1.70 3.08 -1.97 -3.44 114.38 111.18 1xxe h ARG 218 Ca -0.47 0.03 -0.69 0.00 0.07 0.00 0.00 59.98 58.92 1xxe h ARG 218 Cb 1.21 0.11 -0.23 0.00 0.08 0.00 0.00 29.97 31.13 1xxe h ARG 218 CO 0.66 -0.19 -0.85 0.71 -1.07 0.00 0.00 179.97 179.24 1xxe s TYR 219 N -5.08 2.41 -0.22 3.04 2.02 -1.26 -4.96 117.35 113.30 1xxe s TYR 219 Ca -0.15 -0.34 0.06 0.00 -0.37 0.00 0.00 57.07 56.27 1xxe s TYR 219 Cb 0.03 -1.37 0.32 0.00 -0.40 0.00 0.00 41.96 40.53 1xxe s TYR 219 CO 0.57 0.25 1.00 0.39 -1.57 0.00 0.00 175.55 176.18 1xxe n GLU 220 N 1.38 0.04 -1.12 -0.62 -0.58 -1.26 0.19 120.64 118.67 1xxe n GLU 220 Ca -0.17 0.41 0.04 0.00 -0.42 0.00 0.00 57.16 57.02 1xxe n GLU 220 Cb 0.52 -1.93 0.05 0.00 -0.57 0.00 0.00 31.44 29.51 1xxe n GLU 220 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1xxe n ASN 221 N -1.64 1.00 -0.28 1.62 4.13 -1.26 -4.88 115.26 113.95 1xxe n ASN 221 Ca -0.00 -2.36 0.01 0.00 1.68 0.00 0.00 54.58 53.91 1xxe n ASN 221 Cb 0.31 -0.33 0.14 0.00 -1.54 0.00 0.00 39.78 38.37 1xxe n ASN 221 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1xxe h GLU 222 N 0.79 0.78 -0.41 3.52 4.81 -0.63 -0.33 114.58 123.11 1xxe h GLU 222 Ca -0.14 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 1xxe h GLU 222 Cb 1.63 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.81 1xxe h GLU 222 CO 0.06 0.52 0.23 -1.35 -0.73 0.00 0.00 179.01 177.74 1xxe h PRO 223 N 0.81 0.58 0.00 0.92 0.11 -1.87 -1.16 132.00 131.39 1xxe h PRO 223 Ca 0.37 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 66.34 1xxe h PRO 223 Cb 0.27 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1xxe h PRO 223 CO -0.21 0.47 -0.33 -0.39 -0.21 0.00 0.00 178.00 177.32 1xxe h VAL 224 N 0.54 0.67 -0.53 3.15 -1.51 -1.89 -2.64 116.25 114.04 1xxe h VAL 224 Ca 0.15 -1.58 -0.10 0.00 -1.23 0.00 0.00 66.70 63.94 1xxe h VAL 224 Cb 0.05 2.05 -0.02 0.00 -2.13 0.00 0.00 31.29 31.25 1xxe h VAL 224 CO -0.02 0.32 -0.06 0.03 -1.23 0.00 0.00 177.57 176.61 1xxe h ARG 225 N 0.00 0.98 -0.56 5.19 3.08 -0.54 -1.86 114.38 120.68 1xxe h ARG 225 Ca -0.00 -0.34 -0.05 0.00 0.07 0.00 0.00 59.98 59.65 1xxe h ARG 225 Cb 1.03 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 1xxe h ARG 225 CO 0.04 1.02 0.14 1.25 -1.07 0.00 0.00 179.97 181.35 1xxe h HIS 226 N 0.85 0.94 -0.53 3.04 2.76 -1.01 -0.34 115.15 120.86 1xxe h HIS 226 Ca 0.14 -0.11 0.05 0.00 -2.20 0.00 0.00 60.37 58.25 1xxe h HIS 226 Cb 0.61 -0.26 -0.05 0.00 1.55 0.00 0.00 27.41 29.26 1xxe h HIS 226 CO 0.04 0.81 0.26 -0.22 -1.30 0.00 0.00 177.93 177.52 1xxe h LYS 227 N 0.80 0.49 -0.45 5.26 1.63 -1.14 0.17 116.57 123.33 1xxe h LYS 227 Ca 0.18 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 1xxe h LYS 227 Cb 0.34 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.84 1xxe h LYS 227 CO 0.00 0.32 0.23 0.28 -3.45 0.00 0.00 179.45 176.83 1xxe h VAL 228 N 0.50 1.17 -0.86 2.00 2.07 -0.97 0.13 116.25 120.30 1xxe h VAL 228 Ca 0.24 -0.47 0.10 0.00 0.82 0.00 0.00 66.70 67.39 1xxe h VAL 228 Cb 0.16 0.66 -0.08 0.00 -1.52 0.00 0.00 31.29 30.52 1xxe h VAL 228 CO -0.18 0.19 0.50 0.15 0.02 0.00 0.00 177.57 178.25 1xxe h PHE 229 N 0.58 0.91 -0.23 1.57 3.57 0.15 -0.90 116.94 122.59 1xxe h PHE 229 Ca 0.16 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.51 1xxe h PHE 229 Cb 0.09 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 1xxe h PHE 229 CO -0.01 0.36 -0.56 -0.44 -2.23 0.00 0.00 178.31 175.43 1xxe h ASP 230 N 0.83 0.80 -0.71 0.41 5.19 -0.00 -2.57 116.42 120.37 1xxe h ASP 230 Ca 0.42 -0.44 0.08 0.00 -0.62 0.00 0.00 57.03 56.48 1xxe h ASP 230 Cb 0.39 -0.23 -0.05 0.00 0.18 0.00 0.00 39.33 39.63 1xxe h ASP 230 CO -0.25 1.20 0.47 0.25 -3.12 0.00 0.00 179.24 177.78 1xxe h LEU 231 N 0.55 0.57 -0.03 1.55 5.85 0.60 -1.28 115.31 123.13 1xxe h LEU 231 Ca 0.01 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1xxe h LEU 231 Cb 1.14 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1xxe h LEU 231 CO 0.12 0.35 -0.10 0.40 -0.34 0.00 0.00 178.44 178.87 1xxe h ILE 232 N 0.64 1.47 -1.06 4.05 2.04 -1.23 -2.00 117.51 121.43 1xxe h ILE 232 Ca 0.32 -1.54 0.29 0.00 1.00 0.00 0.00 64.86 64.92 1xxe h ILE 232 Cb 0.41 2.43 -0.06 0.00 -0.74 0.00 0.00 36.82 38.85 1xxe h ILE 232 CO -0.11 0.42 0.73 1.23 0.00 0.00 0.00 178.15 180.41 1xxe h GLY 233 N -0.46 0.51 1.71 5.37 0.00 -0.91 0.49 103.07 109.78 1xxe h GLY 233 Ca -0.00 -0.09 -0.22 0.00 0.00 0.00 0.00 47.33 47.02 1xxe h GLY 233 CO 0.02 -0.05 -1.16 -0.55 0.00 0.00 0.00 176.54 174.80 1xxe h ASP 234 N 0.17 0.00 1.55 0.19 5.19 -1.11 -3.29 116.42 119.13 1xxe h ASP 234 Ca 0.54 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.89 1xxe h ASP 234 Cb 1.80 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.30 1xxe h ASP 234 CO -0.13 0.95 -0.31 -0.07 -3.12 0.00 0.00 179.24 176.57 1xxe h LEU 235 N 0.00 0.00 0.00 1.55 3.38 0.62 -2.96 115.31 117.90 1xxe h LEU 235 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1xxe h LEU 235 Cb 1.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.55 1xxe h LEU 235 CO 0.11 0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.95 1xxe n TYR 236 N -3.21 0.00 -0.26 1.13 9.36 0.27 -2.73 117.16 121.72 1xxe n TYR 236 Ca 0.02 0.00 0.26 0.00 3.32 0.00 0.00 57.90 61.50 1xxe n TYR 236 Cb 0.62 -0.36 0.62 0.00 -0.63 0.00 0.00 39.34 39.59 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 0.22 -0.62 2.98 3.38 -1.68 1.14 115.31 120.73 1xxe h LEU 237 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1xxe h LEU 237 Cb 0.14 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1xxe h LEU 237 CO 0.00 0.06 0.11 0.18 0.09 0.00 0.00 178.44 178.88 1xxe n LEU 238 N -4.41 0.24 -0.36 1.67 4.77 -1.11 -3.75 117.00 114.06 1xxe n LEU 238 Ca 0.22 0.55 -0.05 0.00 -0.03 0.00 0.00 56.01 56.70 1xxe n LEU 238 Cb 0.94 -0.55 -0.02 0.00 -2.33 0.00 0.00 43.42 41.45 1xxe n LEU 238 CO 0.33 -0.63 -0.04 0.61 -1.33 0.00 0.00 177.39 176.33 1xxe n GLY 239 N -1.35 0.73 3.48 -0.72 0.00 0.39 -4.99 105.19 102.74 1xxe n GLY 239 Ca -0.01 -0.54 -0.15 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.66 -0.59 0.09 1.61 1.04 -1.25 -4.85 113.70 107.08 1xxe s SER 240 Ca 0.00 0.90 -0.35 0.00 0.48 0.00 0.00 55.95 56.98 1xxe s SER 240 Cb 0.00 0.87 -0.18 0.00 0.10 0.00 0.00 66.02 66.81 1xxe s SER 240 CO 0.00 -0.39 0.99 -2.65 0.98 0.00 0.00 173.24 172.17 1xxe n PRO 241 N 1.89 0.37 -3.94 4.02 -0.02 -1.26 -4.60 135.00 131.45 1xxe n PRO 241 Ca -0.17 0.13 -0.35 0.00 -2.02 0.00 0.00 63.50 61.09 1xxe n PRO 241 Cb 0.56 -1.53 -0.08 0.00 -0.02 0.00 0.00 33.50 32.43 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 -0.23 5.10 -0.13 -1.45 1.01 -1.26 -1.22 120.40 122.22 1xxe s VAL 242 Ca 0.80 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.87 1xxe s VAL 242 Cb -1.07 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 32.06 1xxe s VAL 242 CO 0.55 0.52 -0.20 -0.54 0.00 0.00 0.00 175.10 175.42 1xxe s LYS 243 N -0.20 2.83 0.00 2.72 -0.14 0.81 -4.63 119.74 121.13 1xxe s LYS 243 Ca 0.09 -0.79 0.00 0.00 -1.36 0.00 0.00 55.97 53.91 1xxe s LYS 243 Cb -0.12 -2.30 0.00 0.00 -1.68 0.00 0.00 37.83 33.73 1xxe s LYS 243 CO 0.01 -0.02 0.00 0.41 -0.76 0.00 0.00 175.35 174.99 1xxe n GLY 244 N 4.09 2.47 3.51 -3.33 0.00 -1.20 -1.29 105.19 109.44 1xxe n GLY 244 Ca -0.20 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.03 3.30 0.08 1.61 2.20 0.18 -2.11 119.74 122.97 1xxe s LYS 245 Ca 0.00 -0.71 0.06 0.00 -0.36 0.00 0.00 55.97 54.96 1xxe s LYS 245 Cb 0.00 -3.88 -0.04 0.00 -1.51 0.00 0.00 37.83 32.40 1xxe s LYS 245 CO 0.00 -0.62 -0.09 -0.06 -0.36 0.00 0.00 175.35 174.22 1xxe s PHE 246 N 1.86 2.79 0.02 4.03 0.40 0.56 -0.30 117.98 127.34 1xxe s PHE 246 Ca 0.08 -0.12 0.05 0.00 -0.60 0.00 0.00 56.93 56.34 1xxe s PHE 246 Cb -0.18 -1.48 -0.02 0.00 0.51 0.00 0.00 43.02 41.85 1xxe s PHE 246 CO 0.11 0.41 -0.15 -0.47 0.70 0.00 0.00 175.22 175.83 1xxe s TYR 247 N -1.16 1.30 -0.04 0.36 6.14 0.77 -0.45 117.35 124.27 1xxe s TYR 247 Ca 0.21 -0.32 -0.01 0.00 0.64 0.00 0.00 57.07 57.59 1xxe s TYR 247 Cb -0.11 -0.79 0.03 0.00 0.42 0.00 0.00 41.96 41.50 1xxe s TYR 247 CO 0.12 0.02 0.02 -1.54 0.64 0.00 0.00 175.55 174.82 1xxe s SER 248 N -0.86 0.86 -0.29 4.32 1.04 0.28 -0.99 113.70 118.05 1xxe s SER 248 Ca 0.04 0.01 -0.03 0.00 0.48 0.00 0.00 55.95 56.44 1xxe s SER 248 Cb -0.07 -0.22 0.04 0.00 0.10 0.00 0.00 66.02 65.86 1xxe s SER 248 CO 0.01 -0.17 0.01 0.12 0.98 0.00 0.00 173.24 174.19 1xxe s PHE 249 N 1.61 3.19 -1.27 5.02 5.36 -0.08 0.23 117.98 132.04 1xxe s PHE 249 Ca -0.02 -1.57 -0.18 0.00 -0.96 0.00 0.00 56.93 54.20 1xxe s PHE 249 Cb -0.13 -2.15 0.01 0.00 -0.34 0.00 0.00 43.02 40.42 1xxe s PHE 249 CO -0.03 -0.74 0.57 0.54 -1.46 0.00 0.00 175.22 174.11 1xxe n ARG 250 N 4.71 -1.33 -3.30 10.12 5.12 -0.47 -2.09 116.66 129.41 1xxe n ARG 250 Ca -0.14 0.28 -0.27 0.00 -1.93 0.00 0.00 57.85 55.78 1xxe n ARG 250 Cb 0.45 -3.63 -0.02 0.00 -1.16 0.00 0.00 32.46 28.10 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 -3.81 1.72 0.51 -0.13 0.00 -1.26 -4.19 107.32 100.17 1xxe s GLY 251 Ca 0.32 -0.63 0.03 0.00 0.00 0.00 0.00 44.72 44.44 1xxe s GLY 251 CO 0.92 -0.53 0.16 -0.32 0.00 0.00 0.00 173.10 173.33 1xxe s GLY 252 N -3.42 2.74 0.02 0.20 0.00 -1.26 -5.00 107.32 100.60 1xxe s GLY 252 Ca 0.43 -0.84 -0.25 0.00 0.00 0.00 0.00 44.72 44.06 1xxe s GLY 252 CO 0.32 -2.09 1.38 0.45 0.00 0.00 0.00 173.10 173.17 1xxe h HIS 253 N 1.15 -0.17 0.07 1.90 3.86 -1.96 -1.58 115.15 118.41 1xxe h HIS 253 Ca -0.41 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 58.82 1xxe h HIS 253 Cb 1.31 0.06 -0.04 0.00 1.06 0.00 0.00 27.41 29.79 1xxe h HIS 253 CO 1.26 0.13 -0.28 0.66 0.86 0.00 0.00 177.93 180.56 1xxe h SER 254 N -0.49 -0.80 -0.90 2.45 4.64 -1.89 -1.00 113.55 115.55 1xxe h SER 254 Ca -0.02 0.10 0.17 0.00 -0.47 0.00 0.00 61.79 61.57 1xxe h SER 254 Cb 0.39 0.31 -0.10 0.00 -0.31 0.00 0.00 62.40 62.69 1xxe h SER 254 CO 0.03 -0.36 0.48 0.25 -0.87 0.00 0.00 176.83 176.37 1xxe h LEU 255 N -0.46 0.58 0.42 5.97 5.85 -1.96 -0.89 115.31 124.82 1xxe h LEU 255 Ca 0.04 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1xxe h LEU 255 Cb 0.51 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1xxe h LEU 255 CO -0.19 0.21 -0.26 0.78 -0.34 0.00 0.00 178.44 178.64 1xxe h ASN 256 N 0.63 -0.65 -0.95 1.25 2.35 -0.18 -1.75 115.58 116.29 1xxe h ASN 256 Ca 0.51 0.04 0.23 0.00 -0.55 0.00 0.00 56.30 56.53 1xxe h ASN 256 Cb 0.78 0.19 -0.12 0.00 0.05 0.00 0.00 38.32 39.22 1xxe h ASN 256 CO -0.39 -0.41 0.50 0.58 -1.65 0.00 0.00 177.43 176.06 1xxe h VAL 257 N -0.65 0.53 -0.42 2.81 2.07 -0.01 0.29 116.25 120.87 1xxe h VAL 257 Ca -0.05 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.36 1xxe h VAL 257 Cb 0.53 -0.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.21 1xxe h VAL 257 CO 0.05 0.09 0.09 0.11 0.02 0.00 0.00 177.57 177.93 1xxe h LYS 258 N 0.51 0.21 -0.72 1.57 1.57 -0.39 0.58 116.57 119.90 1xxe h LYS 258 Ca 0.60 -0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.49 1xxe h LYS 258 Cb 1.12 -0.05 -0.08 0.00 0.08 0.00 0.00 32.23 33.30 1xxe h LYS 258 CO -0.49 0.14 0.31 1.25 -0.57 0.00 0.00 179.45 180.09 1xxe h LEU 259 N 0.22 0.34 -0.27 2.94 5.85 0.01 0.88 115.31 125.27 1xxe h LEU 259 Ca 0.20 0.09 -0.15 0.00 0.84 0.00 0.00 57.88 58.86 1xxe h LEU 259 Cb 0.24 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1xxe h LEU 259 CO -0.26 0.16 -0.41 0.58 -0.34 0.00 0.00 178.44 178.17 1xxe h VAL 260 N 0.49 1.30 -0.23 1.05 2.07 -0.63 -1.91 116.25 118.38 1xxe h VAL 260 Ca 0.38 -1.61 0.01 0.00 0.82 0.00 0.00 66.70 66.31 1xxe h VAL 260 Cb 0.51 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 1xxe h VAL 260 CO -0.35 0.52 0.11 0.11 0.02 0.00 0.00 177.57 177.98 1xxe h LYS 261 N 0.50 0.23 -0.22 1.57 1.57 0.13 0.56 116.57 120.91 1xxe h LYS 261 Ca 0.02 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 1xxe h LYS 261 Cb 1.01 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 1xxe h LYS 261 CO 0.10 0.15 -0.38 0.93 -0.57 0.00 0.00 179.45 179.68 1xxe h GLU 262 N 0.24 0.51 -0.17 3.15 5.08 -0.91 -1.18 114.58 121.29 1xxe h GLU 262 Ca 0.09 -0.24 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 1xxe h GLU 262 Cb 0.03 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1xxe h GLU 262 CO -0.07 0.81 -0.16 -0.07 -1.00 0.00 0.00 179.01 178.52 1xxe h LEU 263 N 0.42 0.45 -1.15 1.33 3.38 -0.84 -0.47 115.31 118.43 1xxe h LEU 263 Ca 0.04 -0.47 -0.08 0.00 0.09 0.00 0.00 57.88 57.46 1xxe h LEU 263 Cb 0.86 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1xxe h LEU 263 CO 0.07 0.83 -0.23 0.00 0.09 0.00 0.00 178.44 179.19 1xxe h ALA 264 N 0.63 1.29 0.02 1.53 0.00 0.19 -0.97 119.26 121.95 1xxe h ALA 264 Ca 0.03 -0.30 -0.21 0.00 0.00 0.00 0.00 54.91 54.43 1xxe h ALA 264 Cb 0.70 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1xxe h ALA 264 CO 0.04 0.48 -0.98 0.87 0.00 0.00 0.00 179.25 179.66 1xxe h LYS 265 N 0.27 0.05 -0.14 0.00 1.57 -1.14 -3.13 116.57 114.04 1xxe h LYS 265 Ca 0.05 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1xxe h LYS 265 Cb 0.57 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 1xxe h LYS 265 CO 0.04 0.98 -0.15 0.87 -0.57 0.00 0.00 179.45 180.62 1xxe h LYS 266 N 0.02 0.35 0.00 3.15 1.57 -0.68 -2.51 116.57 118.47 1xxe h LYS 266 Ca -0.03 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 1xxe h LYS 266 Cb 1.70 0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.01 1xxe h LYS 266 CO 0.13 0.75 0.00 0.94 -0.57 0.00 0.00 179.45 180.70 1xxe n GLN 267 N -4.55 0.62 0.19 3.15 -0.06 -0.41 -3.78 117.38 112.54 1xxe n GLN 267 Ca -0.06 0.00 0.05 0.00 -2.00 0.00 0.00 57.00 54.98 1xxe n GLN 267 Cb 0.37 -1.14 0.24 0.00 -4.06 0.00 0.00 30.24 25.65 1xxe n GLN 267 CO 0.00 0.00 0.00 1.57 -0.20 0.00 0.00 177.06 178.43 1xxe h LYS 268 N 0.00 0.00 0.00 3.69 2.10 -1.39 0.86 116.57 121.83 1xxe h LYS 268 Ca 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 1xxe h LYS 268 Cb 0.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1xxe h LYS 268 CO 0.00 0.00 -0.23 -0.07 -2.00 0.00 0.00 179.45 177.15 1xxe h LEU 269 N 0.00 0.00 -1.92 7.07 3.38 -1.84 -3.52 115.31 118.48 1xxe h LEU 269 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xxe h LEU 269 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1xxe h LEU 269 CO 0.00 0.23 0.00 0.41 0.09 0.00 0.00 178.44 179.17