#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u8f s VAL 4 N 0.00 2.78 -0.14 3.15 0.11 -1.26 -4.72 120.40 120.33 1u8f s VAL 4 Ca 0.00 0.71 -0.19 0.00 -2.93 0.00 0.00 61.98 59.57 1u8f s VAL 4 Cb 0.00 -3.42 -0.04 0.00 -1.53 0.00 0.00 36.38 31.39 1u8f s VAL 4 CO 0.00 0.11 0.50 -0.54 -3.33 0.00 0.00 175.10 171.85 1u8f s LYS 5 N -2.13 4.31 0.06 1.54 1.02 -1.26 -1.53 119.74 121.75 1u8f s LYS 5 Ca 0.55 0.47 0.09 0.00 0.02 0.00 0.00 55.97 57.10 1u8f s LYS 5 Cb -0.37 -3.47 -0.03 0.00 -0.52 0.00 0.00 37.83 33.44 1u8f s LYS 5 CO 0.47 0.07 -0.23 0.08 -0.92 0.00 0.00 175.35 174.82 1u8f s VAL 6 N 0.90 2.40 0.05 3.17 1.01 0.56 -0.30 120.40 128.20 1u8f s VAL 6 Ca 0.26 -1.38 0.07 0.00 0.00 0.00 0.00 61.98 60.93 1u8f s VAL 6 Cb -0.15 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 1u8f s VAL 6 CO 0.11 0.31 -0.15 -0.83 0.00 0.00 0.00 175.10 174.54 1u8f s GLY 7 N -1.46 1.65 -0.16 4.51 0.00 0.72 -0.66 107.32 111.91 1u8f s GLY 7 Ca 0.13 -1.19 0.02 0.00 0.00 0.00 0.00 44.72 43.68 1u8f s GLY 7 CO 0.04 -1.09 -0.21 0.14 0.00 0.00 0.00 173.10 171.98 1u8f s VAL 8 N -1.00 2.07 -0.35 1.40 1.01 0.18 -0.57 120.40 123.15 1u8f s VAL 8 Ca 0.16 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 61.09 1u8f s VAL 8 Cb -0.11 -1.85 0.01 0.00 0.00 0.00 0.00 36.38 34.43 1u8f s VAL 8 CO 0.07 0.54 0.19 0.21 0.00 0.00 0.00 175.10 176.11 1u8f s ASN 9 N 1.09 5.68 0.00 3.32 2.47 0.03 -0.71 114.94 126.83 1u8f s ASN 9 Ca 0.00 -0.75 0.00 0.00 0.42 0.00 0.00 52.86 52.53 1u8f s ASN 9 Cb -0.14 -2.02 0.00 0.00 -1.45 0.00 0.00 41.25 37.64 1u8f s ASN 9 CO -0.08 -0.29 0.00 0.61 -3.72 0.00 0.00 177.10 173.61 1u8f n GLY 10 N 5.00 0.28 2.50 1.21 0.00 -0.28 -1.14 105.19 112.77 1u8f n GLY 10 Ca -0.13 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 1u8f n GLY 10 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1u8f n PHE 11 N 0.59 2.30 -1.29 1.61 7.35 -1.26 -3.70 117.46 123.06 1u8f n PHE 11 Ca 0.00 -2.52 0.00 0.00 -0.76 0.00 0.00 57.45 54.17 1u8f n PHE 11 Cb 0.00 -1.64 0.00 0.00 0.35 0.00 0.00 39.48 38.19 1u8f n PHE 11 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1u8f n GLY 12 N 1.29 1.88 0.19 7.13 0.00 -1.26 -4.49 105.19 109.93 1u8f n GLY 12 Ca 0.57 -1.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.56 1u8f n GLY 12 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1u8f h ARG 13 N 0.00 -0.16 -0.14 1.61 2.47 -1.93 0.40 114.38 116.63 1u8f h ARG 13 Ca 0.00 0.01 -0.15 0.00 -1.26 0.00 0.00 59.98 58.58 1u8f h ARG 13 Cb 0.00 0.04 0.01 0.00 -1.65 0.00 0.00 29.97 28.36 1u8f h ARG 13 CO 0.00 -0.11 -0.52 0.82 0.56 0.00 0.00 179.97 180.72 1u8f h ILE 14 N -0.17 1.34 -0.41 2.04 1.08 -1.90 -1.59 117.51 117.90 1u8f h ILE 14 Ca 0.09 -1.80 0.03 0.00 -0.39 0.00 0.00 64.86 62.80 1u8f h ILE 14 Cb 0.30 2.07 -0.03 0.00 -3.07 0.00 0.00 36.82 36.09 1u8f h ILE 14 CO -0.24 0.55 0.20 1.23 -0.69 0.00 0.00 178.15 179.21 1u8f h GLY 15 N 0.23 0.56 1.32 5.37 0.00 -1.58 0.27 103.07 109.25 1u8f h GLY 15 Ca -0.03 -0.14 -0.18 0.00 0.00 0.00 0.00 47.33 46.98 1u8f h GLY 15 CO 0.11 0.10 -0.58 3.21 0.00 0.00 0.00 176.54 179.39 1u8f h ARG 16 N 0.41 0.71 0.00 4.80 3.08 -0.25 -2.32 114.38 120.80 1u8f h ARG 16 Ca 0.18 -0.46 -0.11 0.00 0.07 0.00 0.00 59.98 59.65 1u8f h ARG 16 Cb 0.08 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1u8f h ARG 16 CO -0.12 1.08 -0.53 -0.07 -1.07 0.00 0.00 179.97 179.26 1u8f h LEU 17 N 0.54 0.00 -0.46 3.04 3.38 -1.04 0.97 115.31 121.73 1u8f h LEU 17 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1u8f h LEU 17 Cb 1.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1u8f h LEU 17 CO 0.12 0.53 -0.34 0.58 0.09 0.00 0.00 178.44 179.42 1u8f h VAL 18 N 0.00 1.27 -0.32 1.22 2.07 -0.44 0.23 116.25 120.28 1u8f h VAL 18 Ca -0.01 -1.51 -0.03 0.00 0.82 0.00 0.00 66.70 65.97 1u8f h VAL 18 Cb 1.21 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 1u8f h VAL 18 CO 0.07 0.51 0.07 0.74 0.02 0.00 0.00 177.57 178.97 1u8f h THR 19 N 0.76 1.23 -0.63 2.57 2.02 -1.07 0.15 112.91 117.93 1u8f h THR 19 Ca 0.07 -0.77 -0.00 0.00 0.77 0.00 0.00 66.41 66.48 1u8f h THR 19 Cb 0.92 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 68.42 1u8f h THR 19 CO 0.08 0.26 0.38 -0.09 0.37 0.00 0.00 175.52 176.52 1u8f h ARG 20 N 0.35 0.86 -0.79 6.66 2.43 -0.60 -1.79 114.38 121.51 1u8f h ARG 20 Ca 0.10 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 1u8f h ARG 20 Cb 0.32 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 1u8f h ARG 20 CO 0.00 0.62 0.32 0.00 -1.51 0.00 0.00 179.97 179.40 1u8f h ALA 21 N 1.19 1.06 -0.62 2.80 0.00 -0.20 0.66 119.26 124.16 1u8f h ALA 21 Ca 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1u8f h ALA 21 Cb -0.02 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1u8f h ALA 21 CO -0.04 0.67 0.32 0.00 0.00 0.00 0.00 179.25 180.20 1u8f h ALA 22 N 1.19 0.79 -0.08 0.00 0.00 -0.21 0.15 119.26 121.11 1u8f h ALA 22 Ca 0.27 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.87 1u8f h ALA 22 Cb 0.21 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1u8f h ALA 22 CO -0.02 0.33 -0.70 0.74 0.00 0.00 0.00 179.25 179.59 1u8f h PHE 23 N 0.84 0.86 -0.26 0.00 0.04 -1.08 0.42 116.94 117.76 1u8f h PHE 23 Ca 0.22 -0.41 -0.04 0.00 2.80 0.00 0.00 57.97 60.53 1u8f h PHE 23 Cb 0.07 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 1u8f h PHE 23 CO -0.01 1.22 0.00 -0.91 -0.60 0.00 0.00 178.31 178.02 1u8f h ASN 24 N 0.25 0.45 0.43 2.17 -0.26 -0.79 -3.22 115.58 114.62 1u8f h ASN 24 Ca -0.07 -0.30 -0.30 0.00 -0.56 0.00 0.00 56.30 55.07 1u8f h ASN 24 Cb 1.36 -0.12 0.02 0.00 -1.06 0.00 0.00 38.32 38.52 1u8f h ASN 24 CO 0.14 0.64 -1.32 0.77 -1.06 0.00 0.00 177.43 176.61 1u8f h SER 25 N 0.25 0.63 -0.50 5.81 4.64 -0.79 -3.48 113.55 120.11 1u8f h SER 25 Ca 0.08 -0.66 -0.16 0.00 -0.47 0.00 0.00 61.79 60.58 1u8f h SER 25 Cb 0.41 -0.20 -0.05 0.00 -0.31 0.00 0.00 62.40 62.24 1u8f h SER 25 CO 0.01 1.51 -0.16 0.61 -0.87 0.00 0.00 176.83 177.93 1u8f n GLY 26 N 1.55 0.82 0.11 -0.77 0.00 0.15 -4.92 105.19 102.14 1u8f n GLY 26 Ca -0.12 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 1u8f n GLY 26 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u8f h LYS 27 N 0.00 0.16 -4.68 1.61 1.57 -1.86 -3.43 116.57 109.95 1u8f h LYS 27 Ca -0.16 -0.20 -0.26 0.00 -1.87 0.00 0.00 60.65 58.16 1u8f h LYS 27 Cb 0.62 0.06 -0.15 0.00 0.08 0.00 0.00 32.23 32.84 1u8f h LYS 27 CO 0.23 0.97 -0.64 0.14 -0.57 0.00 0.00 179.45 179.58 1u8f s VAL 28 N -3.08 0.41 -0.20 0.50 -7.23 -1.26 -2.65 120.40 106.89 1u8f s VAL 28 Ca -0.02 -1.97 -0.00 0.00 -1.81 0.00 0.00 61.98 58.18 1u8f s VAL 28 Cb 0.10 -2.24 0.02 0.00 0.56 0.00 0.00 36.38 34.81 1u8f s VAL 28 CO 0.83 -0.32 -0.14 -1.81 -0.31 0.00 0.00 175.10 173.35 1u8f s ASP 29 N -3.16 3.64 -0.15 4.85 1.01 -0.58 -4.67 116.67 117.60 1u8f s ASP 29 Ca 0.28 -0.68 -0.29 0.00 0.71 0.00 0.00 52.55 52.57 1u8f s ASP 29 Cb 0.07 -1.57 -0.01 0.00 1.01 0.00 0.00 42.92 42.42 1u8f s ASP 29 CO 0.06 -0.04 1.16 -0.63 0.21 0.00 0.00 175.17 175.93 1u8f s ILE 30 N 1.32 4.44 -0.07 0.77 -1.09 -1.26 -0.32 121.20 124.99 1u8f s ILE 30 Ca 0.04 1.74 0.02 0.00 -2.23 0.00 0.00 60.65 60.21 1u8f s ILE 30 Cb -0.14 -4.12 -0.02 0.00 -1.58 0.00 0.00 42.46 36.60 1u8f s ILE 30 CO -0.09 -0.10 0.06 1.33 -1.23 0.00 0.00 174.94 174.92 1u8f n VAL 31 N 5.07 0.00 -3.66 2.92 0.24 0.17 -4.81 118.33 118.26 1u8f n VAL 31 Ca 0.12 -0.44 -0.15 0.00 -2.04 0.00 0.00 64.34 61.83 1u8f n VAL 31 Cb 0.46 0.97 -0.08 0.00 -1.47 0.00 0.00 33.84 33.72 1u8f n VAL 31 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1u8f s ALA 32 N -1.20 -1.25 -0.01 2.33 0.00 -1.16 -1.05 121.76 119.43 1u8f s ALA 32 Ca 0.01 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1u8f s ALA 32 Cb 0.01 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.99 1u8f s ALA 32 CO 0.06 -0.30 0.01 0.42 0.00 0.00 0.00 175.76 175.96 1u8f s ILE 33 N -0.92 -0.02 -0.07 0.00 1.01 -0.34 -0.65 121.20 120.22 1u8f s ILE 33 Ca -0.10 0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.67 1u8f s ILE 33 Cb -0.03 -0.04 0.00 0.00 0.01 0.00 0.00 42.46 42.40 1u8f s ILE 33 CO 0.06 0.04 -0.18 0.21 0.00 0.00 0.00 174.94 175.06 1u8f s ASN 34 N 0.40 2.33 -0.30 3.58 2.47 0.12 -0.46 114.94 123.08 1u8f s ASN 34 Ca -0.03 -0.40 -0.10 0.00 0.42 0.00 0.00 52.86 52.74 1u8f s ASN 34 Cb -0.05 -0.90 0.18 0.00 -1.45 0.00 0.00 41.25 39.04 1u8f s ASN 34 CO -0.01 0.12 0.97 -0.62 -3.72 0.00 0.00 177.10 173.84 1u8f s ASP 35 N 0.30 -0.63 0.24 -4.21 -1.08 -0.83 -1.12 116.67 109.34 1u8f s ASP 35 Ca -0.11 0.33 0.22 0.00 -0.52 0.00 0.00 52.55 52.47 1u8f s ASP 35 Cb -0.15 1.50 0.95 0.00 -1.46 0.00 0.00 42.92 43.77 1u8f s ASP 35 CO 0.05 -0.12 1.67 -2.65 0.52 0.00 0.00 175.17 174.63 1u8f n PRO 36 N 5.42 0.17 -0.22 4.34 -0.02 -1.26 -3.07 135.00 140.35 1u8f n PRO 36 Ca -0.03 0.44 0.10 0.00 -2.02 0.00 0.00 63.50 61.98 1u8f n PRO 36 Cb 0.54 -1.84 0.22 0.00 -0.02 0.00 0.00 33.50 32.40 1u8f n PRO 36 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1u8f n PHE 37 N -2.16 0.59 -3.52 6.00 3.72 -1.26 -4.80 117.46 116.04 1u8f n PHE 37 Ca 0.02 -0.36 -0.24 0.00 -0.05 0.00 0.00 57.45 56.82 1u8f n PHE 37 Cb 0.19 -0.01 -0.14 0.00 -0.94 0.00 0.00 39.48 38.59 1u8f n PHE 37 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1u8f s ILE 38 N -1.18 -0.20 0.89 4.37 1.01 -1.17 -5.10 121.20 119.82 1u8f s ILE 38 Ca 0.36 -0.44 -0.12 0.00 0.00 0.00 0.00 60.65 60.45 1u8f s ILE 38 Cb 0.20 -0.83 0.13 0.00 0.01 0.00 0.00 42.46 41.97 1u8f s ILE 38 CO 0.27 -0.47 1.14 1.51 0.00 0.00 0.00 174.94 177.39 1u8f s ASP 39 N 2.21 3.70 0.18 3.58 3.84 -1.26 -4.69 116.67 124.24 1u8f s ASP 39 Ca 0.07 0.97 -0.20 0.00 -0.00 0.00 0.00 52.55 53.39 1u8f s ASP 39 Cb -0.16 -1.55 0.13 0.00 -1.38 0.00 0.00 42.92 39.96 1u8f s ASP 39 CO -0.25 -2.43 1.60 0.25 -0.00 0.00 0.00 175.17 174.34 1u8f h LEU 40 N -1.41 -1.03 -1.31 2.11 5.85 -1.96 0.25 115.31 117.81 1u8f h LEU 40 Ca -0.50 0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 1u8f h LEU 40 Cb 1.33 0.52 -0.03 0.00 0.37 0.00 0.00 40.66 42.85 1u8f h LEU 40 CO 0.62 -0.29 0.33 0.78 -0.34 0.00 0.00 178.44 179.54 1u8f h ASN 41 N -0.16 0.71 -0.00 1.25 2.35 -1.98 -2.02 115.58 115.72 1u8f h ASN 41 Ca 0.23 -0.05 -0.16 0.00 -0.55 0.00 0.00 56.30 55.77 1u8f h ASN 41 Cb 0.53 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 1u8f h ASN 41 CO -0.63 0.57 -0.52 0.22 -1.65 0.00 0.00 177.43 175.42 1u8f h TYR 42 N 0.81 0.71 -0.83 1.19 3.20 -1.66 -2.94 116.97 117.45 1u8f h TYR 42 Ca 0.21 -0.24 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1u8f h TYR 42 Cb 0.01 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.10 1u8f h TYR 42 CO 0.00 0.97 0.54 0.52 -1.64 0.00 0.00 178.16 178.55 1u8f h MET 43 N 0.45 1.10 -0.33 1.82 2.86 -0.28 0.20 114.93 120.75 1u8f h MET 43 Ca 0.02 -0.08 0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1u8f h MET 43 Cb 1.06 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 32.45 1u8f h MET 43 CO 0.10 0.74 0.18 0.28 1.06 0.00 0.00 176.91 179.27 1u8f h VAL 44 N 1.13 1.02 -0.11 -2.22 2.07 -1.28 -0.49 116.25 116.37 1u8f h VAL 44 Ca 0.30 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 1u8f h VAL 44 Cb -0.11 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1u8f h VAL 44 CO -0.06 0.07 0.02 0.22 0.02 0.00 0.00 177.57 177.84 1u8f h TYR 45 N 0.37 0.19 -0.15 1.57 5.03 -1.25 -0.53 116.97 122.20 1u8f h TYR 45 Ca 0.13 -0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.37 1u8f h TYR 45 Cb 0.02 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 38.23 1u8f h TYR 45 CO -0.08 0.36 -0.14 0.52 -1.32 0.00 0.00 178.16 177.50 1u8f h MET 46 N -0.03 0.24 0.12 1.82 2.86 -0.86 -1.98 114.93 117.10 1u8f h MET 46 Ca 0.03 -0.06 -0.28 0.00 -2.06 0.00 0.00 59.70 57.33 1u8f h MET 46 Cb 0.26 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 1u8f h MET 46 CO 0.00 0.38 -1.35 0.35 1.06 0.00 0.00 176.91 177.35 1u8f h PHE 47 N 0.23 0.46 -0.20 -0.22 3.04 -1.01 -3.36 116.94 115.87 1u8f h PHE 47 Ca 0.05 -0.34 -0.13 0.00 3.98 0.00 0.00 57.97 61.53 1u8f h PHE 47 Cb 0.38 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.88 1u8f h PHE 47 CO 0.01 1.31 -0.37 0.37 -2.02 0.00 0.00 178.31 177.60 1u8f h GLN 48 N 0.07 0.61 -5.56 1.11 4.15 -0.91 -3.40 115.11 111.18 1u8f h GLN 48 Ca -0.17 -0.38 -0.65 0.00 0.77 0.00 0.00 58.65 58.22 1u8f h GLN 48 Cb 1.98 0.04 -0.19 0.00 0.21 0.00 0.00 27.48 29.53 1u8f h GLN 48 CO 0.19 0.99 -0.64 0.71 -1.93 0.00 0.00 178.83 178.15 1u8f s TYR 49 N -4.08 3.09 -0.07 3.99 2.02 -0.76 -0.97 117.35 120.57 1u8f s TYR 49 Ca -0.13 -0.07 -0.03 0.00 -0.37 0.00 0.00 57.07 56.48 1u8f s TYR 49 Cb 0.07 -1.91 0.04 0.00 -0.40 0.00 0.00 41.96 39.76 1u8f s TYR 49 CO 0.82 0.17 0.11 0.34 -1.57 0.00 0.00 175.55 175.43 1u8f s ASP 50 N -0.09 0.98 0.40 2.29 -1.08 -1.24 -4.69 116.67 113.25 1u8f s ASP 50 Ca 0.03 0.19 0.07 0.00 -0.52 0.00 0.00 52.55 52.32 1u8f s ASP 50 Cb -0.13 0.08 0.84 0.00 -1.46 0.00 0.00 42.92 42.25 1u8f s ASP 50 CO 0.02 -0.25 2.05 0.28 0.52 0.00 0.00 175.17 177.79 1u8f h SER 51 N 8.40 0.48 0.11 -0.34 0.02 -1.96 -0.73 113.55 119.53 1u8f h SER 51 Ca -0.13 -0.02 -0.32 0.00 -0.84 0.00 0.00 61.79 60.49 1u8f h SER 51 Cb 1.12 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 1u8f h SER 51 CO 0.15 0.36 -1.68 0.74 -1.14 0.00 0.00 176.83 175.26 1u8f h THR 52 N 0.57 0.83 -0.36 -2.27 2.02 -1.97 -3.40 112.91 108.32 1u8f h THR 52 Ca 0.15 -2.36 0.00 0.00 0.77 0.00 0.00 66.41 64.97 1u8f h THR 52 Cb -0.05 2.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 1u8f h THR 52 CO -0.03 0.75 0.00 1.41 0.37 0.00 0.00 175.52 178.02 1u8f n HIS 53 N -3.77 0.48 -0.14 3.16 8.25 -1.23 -4.89 115.22 117.08 1u8f n HIS 53 Ca -0.29 -0.42 0.02 0.00 -0.26 0.00 0.00 57.72 56.77 1u8f n HIS 53 Cb 0.95 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 32.04 1u8f n HIS 53 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u8f n GLY 54 N 0.75 -1.76 3.77 -1.41 0.00 -0.28 -4.89 105.19 101.36 1u8f n GLY 54 Ca 0.13 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.28 1u8f n GLY 54 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1u8f s LYS 55 N -1.76 3.91 0.30 1.61 2.20 -1.26 -3.58 119.74 121.16 1u8f s LYS 55 Ca 0.00 2.22 -0.30 0.00 -0.36 0.00 0.00 55.97 57.53 1u8f s LYS 55 Cb 0.00 -2.74 -0.11 0.00 -1.51 0.00 0.00 37.83 33.47 1u8f s LYS 55 CO 0.00 -0.56 1.58 0.12 -0.36 0.00 0.00 175.35 176.13 1u8f s PHE 56 N -1.25 2.75 -0.96 4.03 5.36 -0.14 -4.89 117.98 122.87 1u8f s PHE 56 Ca 0.58 0.81 0.28 0.00 -0.96 0.00 0.00 56.93 57.64 1u8f s PHE 56 Cb -0.39 -4.06 1.14 0.00 -0.34 0.00 0.00 43.02 39.37 1u8f s PHE 56 CO 0.51 -3.54 1.88 0.72 -1.46 0.00 0.00 175.22 173.33 1u8f n HIS 57 N 2.07 0.13 -1.13 10.12 8.25 -1.26 -4.84 115.22 128.56 1u8f n HIS 57 Ca 0.08 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 1u8f n HIS 57 Cb 0.38 -0.55 0.00 0.00 1.12 0.00 0.00 29.99 30.93 1u8f n HIS 57 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u8f n GLY 58 N 1.47 1.98 3.51 -1.41 0.00 -1.26 -5.12 105.19 104.36 1u8f n GLY 58 Ca 0.07 -1.91 -0.31 0.00 0.00 0.00 0.00 46.02 43.87 1u8f n GLY 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u8f s THR 59 N 2.87 3.09 -0.15 2.61 -4.23 -1.26 -4.97 115.64 113.59 1u8f s THR 59 Ca 0.00 -1.17 -0.07 0.00 -1.18 0.00 0.00 61.69 59.27 1u8f s THR 59 Cb 0.00 -2.36 0.06 0.00 1.34 0.00 0.00 72.50 71.55 1u8f s THR 59 CO 0.00 0.26 0.33 0.54 -0.54 0.00 0.00 174.62 175.22 1u8f s VAL 60 N -1.03 -0.27 0.15 2.29 0.11 -1.25 -0.96 120.40 119.43 1u8f s VAL 60 Ca 0.17 0.17 -0.13 0.00 -2.93 0.00 0.00 61.98 59.26 1u8f s VAL 60 Cb -0.11 -0.52 0.01 0.00 -1.53 0.00 0.00 36.38 34.23 1u8f s VAL 60 CO 0.08 0.07 0.37 -1.59 -3.33 0.00 0.00 175.10 170.70 1u8f s LYS 61 N 1.90 1.16 -0.13 1.54 -2.85 -0.57 -4.99 119.74 115.79 1u8f s LYS 61 Ca -0.05 -0.95 -0.09 0.00 -1.00 0.00 0.00 55.97 53.88 1u8f s LYS 61 Cb -0.11 0.44 -0.05 0.00 -2.06 0.00 0.00 37.83 36.05 1u8f s LYS 61 CO -0.11 -0.45 0.18 0.00 0.10 0.00 0.00 175.35 175.08 1u8f s ALA 62 N -3.89 3.78 -0.26 0.59 0.00 -1.26 -0.23 121.76 120.50 1u8f s ALA 62 Ca 0.10 -0.59 -0.07 0.00 0.00 0.00 0.00 51.96 51.39 1u8f s ALA 62 Cb 0.02 -2.11 0.12 0.00 0.00 0.00 0.00 23.12 21.15 1u8f s ALA 62 CO -0.05 0.42 0.54 -2.00 0.00 0.00 0.00 175.76 174.67 1u8f s GLU 63 N -0.49 0.46 -1.43 0.00 2.12 -0.39 -4.93 118.70 114.05 1u8f s GLU 63 Ca 0.14 1.19 -0.05 0.00 0.36 0.00 0.00 54.97 56.61 1u8f s GLU 63 Cb -0.12 0.55 0.03 0.00 0.26 0.00 0.00 34.13 34.84 1u8f s GLU 63 CO 0.03 -0.29 0.43 0.09 -0.54 0.00 0.00 175.26 174.98 1u8f n ASN 64 N 5.42 -5.06 0.00 -1.70 3.02 -1.26 -1.18 115.26 114.51 1u8f n ASN 64 Ca -0.09 -0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.23 1u8f n ASN 64 Cb 0.49 -4.14 0.00 0.00 -0.61 0.00 0.00 39.78 35.52 1u8f n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u8f n GLY 65 N -1.27 0.78 3.67 7.41 0.00 -1.26 -5.04 105.19 109.47 1u8f n GLY 65 Ca -0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 1u8f n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u8f s LYS 66 N -0.27 2.45 -0.35 1.61 -0.14 -0.32 -4.38 119.74 118.33 1u8f s LYS 66 Ca 0.00 -0.92 -0.16 0.00 -1.36 0.00 0.00 55.97 53.52 1u8f s LYS 66 Cb 0.00 -2.47 -0.01 0.00 -1.68 0.00 0.00 37.83 33.68 1u8f s LYS 66 CO 0.00 0.52 0.42 -1.17 -0.76 0.00 0.00 175.35 174.36 1u8f s LEU 67 N -2.43 4.45 -0.35 3.17 2.96 -0.68 -1.27 118.68 124.52 1u8f s LEU 67 Ca 0.25 -0.20 -0.10 0.00 -0.22 0.00 0.00 54.13 53.86 1u8f s LEU 67 Cb -0.11 -2.43 0.01 0.00 0.50 0.00 0.00 46.19 44.16 1u8f s LEU 67 CO 0.18 -0.41 0.18 -0.69 -1.32 0.00 0.00 176.35 174.29 1u8f s VAL 68 N 2.16 4.60 -0.19 1.68 1.01 0.69 -0.44 120.40 129.89 1u8f s VAL 68 Ca 0.14 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 1u8f s VAL 68 Cb -0.16 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 1u8f s VAL 68 CO 0.12 -0.10 -0.07 -0.63 0.00 0.00 0.00 175.10 174.42 1u8f s ILE 69 N 1.58 3.30 -1.54 2.22 1.01 -0.69 -1.52 121.20 125.56 1u8f s ILE 69 Ca 0.03 -0.53 -0.14 0.00 0.00 0.00 0.00 60.65 60.00 1u8f s ILE 69 Cb -0.18 -2.47 0.11 0.00 0.01 0.00 0.00 42.46 39.92 1u8f s ILE 69 CO 0.07 0.46 0.82 0.59 0.00 0.00 0.00 174.94 176.87 1u8f n ASN 70 N 4.42 -4.20 0.00 3.58 3.02 -0.14 -0.67 115.26 121.27 1u8f n ASN 70 Ca -0.18 -0.76 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 1u8f n ASN 70 Cb 0.51 -3.40 0.00 0.00 -0.61 0.00 0.00 39.78 36.29 1u8f n ASN 70 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u8f n GLY 71 N -1.49 1.59 3.59 7.41 0.00 -1.26 -5.02 105.19 110.01 1u8f n GLY 71 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1u8f n GLY 71 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1u8f s ASN 72 N -3.29 6.29 -0.04 1.61 0.02 0.16 -5.05 114.94 114.63 1u8f s ASN 72 Ca 0.00 0.21 -0.30 0.00 -1.02 0.00 0.00 52.86 51.75 1u8f s ASN 72 Cb 0.00 -2.23 -0.03 0.00 0.02 0.00 0.00 41.25 39.00 1u8f s ASN 72 CO 0.00 -0.28 1.20 -2.16 0.02 0.00 0.00 177.10 175.88 1u8f s PRO 73 N 2.17 4.36 -0.17 -0.60 0.04 -1.26 -1.71 135.00 137.83 1u8f s PRO 73 Ca 0.16 1.68 -0.03 0.00 0.04 0.00 0.00 61.00 62.85 1u8f s PRO 73 Cb -0.16 -3.54 -0.02 0.00 0.04 0.00 0.00 34.50 30.83 1u8f s PRO 73 CO 0.11 -0.42 -0.06 0.42 0.04 0.00 0.00 177.00 177.08 1u8f s ILE 74 N 2.10 3.55 0.17 0.56 1.01 0.42 -4.87 121.20 124.13 1u8f s ILE 74 Ca 0.56 -0.47 -0.30 0.00 0.00 0.00 0.00 60.65 60.44 1u8f s ILE 74 Cb -0.25 -2.56 -0.08 0.00 0.01 0.00 0.00 42.46 39.58 1u8f s ILE 74 CO 0.23 0.48 1.16 -0.89 0.00 0.00 0.00 174.94 175.92 1u8f s THR 75 N 0.72 3.74 -0.14 2.92 2.01 -0.22 -1.69 115.64 122.97 1u8f s THR 75 Ca -0.03 1.44 -0.02 0.00 0.31 0.00 0.00 61.69 63.39 1u8f s THR 75 Cb -0.15 -3.92 -0.02 0.00 0.01 0.00 0.00 72.50 68.42 1u8f s THR 75 CO 0.02 0.22 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.45 1u8f s ILE 76 N 0.03 3.41 0.18 1.82 -1.09 -1.26 -1.19 121.20 123.10 1u8f s ILE 76 Ca 0.52 -0.53 0.09 0.00 -2.23 0.00 0.00 60.65 58.51 1u8f s ILE 76 Cb -0.31 -2.46 -0.04 0.00 -1.58 0.00 0.00 42.46 38.06 1u8f s ILE 76 CO 0.35 0.51 -0.12 -0.36 -1.23 0.00 0.00 174.94 174.09 1u8f s PHE 77 N 0.40 2.58 -0.37 3.97 0.08 0.39 -4.98 117.98 120.06 1u8f s PHE 77 Ca -0.07 -0.25 0.14 0.00 0.12 0.00 0.00 56.93 56.87 1u8f s PHE 77 Cb -0.15 -1.26 0.43 0.00 -0.57 0.00 0.00 43.02 41.47 1u8f s PHE 77 CO 0.04 0.51 0.94 1.04 -0.10 0.00 0.00 175.22 177.66 1u8f n GLN 78 N 0.06 1.66 -3.93 0.44 1.13 -1.26 -1.97 117.38 113.51 1u8f n GLN 78 Ca -0.11 -3.60 -0.35 0.00 -1.94 0.00 0.00 57.00 51.00 1u8f n GLN 78 Cb 0.56 -1.57 -0.08 0.00 0.11 0.00 0.00 30.24 29.26 1u8f n GLN 78 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1u8f s GLU 79 N -3.10 3.78 0.10 -1.09 0.41 -1.26 -4.53 118.70 113.00 1u8f s GLU 79 Ca 0.34 -0.25 0.11 0.00 -0.41 0.00 0.00 54.97 54.77 1u8f s GLU 79 Cb 0.42 -3.22 -0.15 0.00 -1.78 0.00 0.00 34.13 29.39 1u8f s GLU 79 CO -0.03 0.48 1.09 0.00 -0.49 0.00 0.00 175.26 176.30 1u8f h ARG 80 N 6.01 0.00 -4.88 1.61 3.08 -1.98 -3.40 114.38 114.82 1u8f h ARG 80 Ca -0.45 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 58.91 1u8f h ARG 80 Cb 1.18 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 31.05 1u8f h ARG 80 CO 0.67 0.67 -0.19 0.34 -1.07 0.00 0.00 179.97 180.39 1u8f s ASP 81 N -6.37 6.20 0.41 7.04 -1.08 -1.26 -4.97 116.67 116.64 1u8f s ASP 81 Ca -0.00 -0.68 0.17 0.00 -0.52 0.00 0.00 52.55 51.51 1u8f s ASP 81 Cb 0.09 -2.23 1.05 0.00 -1.46 0.00 0.00 42.92 40.37 1u8f s ASP 81 CO 0.81 -0.60 1.84 -0.65 0.52 0.00 0.00 175.17 177.08 1u8f h PRO 82 N 8.74 0.43 0.00 4.34 0.11 -1.93 -0.55 132.00 143.14 1u8f h PRO 82 Ca -0.26 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1u8f h PRO 82 Cb 1.11 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1u8f h PRO 82 CO 0.81 0.28 0.00 0.66 -0.21 0.00 0.00 178.00 179.54 1u8f h SER 83 N 0.44 0.00 0.06 -2.05 4.64 -1.94 -2.87 113.55 111.84 1u8f h SER 83 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1u8f h SER 83 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1u8f h SER 83 CO -0.21 0.00 -0.39 0.29 -0.87 0.00 0.00 176.83 175.65 1u8f n LYS 84 N -2.33 1.12 -2.47 4.77 5.02 -0.22 -4.33 118.16 119.73 1u8f n LYS 84 Ca 0.02 -0.86 -0.43 0.00 -2.02 0.00 0.00 58.31 55.02 1u8f n LYS 84 Cb 0.22 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.72 1u8f n LYS 84 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1u8f s ILE 85 N -2.47 4.32 -1.47 -0.18 1.01 -1.08 -4.93 121.20 116.40 1u8f s ILE 85 Ca 0.21 1.57 -0.11 0.00 0.00 0.00 0.00 60.65 62.32 1u8f s ILE 85 Cb 0.19 -4.10 0.03 0.00 0.01 0.00 0.00 42.46 38.59 1u8f s ILE 85 CO 0.55 -0.23 2.43 0.29 0.00 0.00 0.00 174.94 177.98 1u8f n LYS 86 N 6.73 3.46 -0.30 2.79 5.02 -1.26 -4.14 118.16 130.45 1u8f n LYS 86 Ca 0.14 -2.73 0.13 0.00 -2.02 0.00 0.00 58.31 53.83 1u8f n LYS 86 Cb 0.45 -3.00 0.36 0.00 -0.02 0.00 0.00 35.03 32.83 1u8f n LYS 86 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 1u8f h TRP 87 N 5.47 0.89 -0.40 2.13 4.06 -1.82 -0.96 115.95 125.33 1u8f h TRP 87 Ca 0.66 0.03 0.02 0.00 2.06 0.00 0.00 58.89 61.65 1u8f h TRP 87 Cb 0.48 -0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 28.35 1u8f h TRP 87 CO 1.58 0.28 0.27 0.78 -3.56 0.00 0.00 178.44 177.79 1u8f h GLY 88 N 0.71 0.52 2.00 1.49 0.00 -1.26 -1.33 103.07 105.20 1u8f h GLY 88 Ca 0.49 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.63 1u8f h GLY 88 CO -0.25 0.18 -0.01 -0.55 0.00 0.00 0.00 176.54 175.91 1u8f h ASP 89 N 0.48 0.00 0.18 0.19 5.19 -1.42 -1.82 116.42 119.22 1u8f h ASP 89 Ca 0.15 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 1u8f h ASP 89 Cb 0.03 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.54 1u8f h ASP 89 CO -0.04 0.01 -0.85 0.00 -3.12 0.00 0.00 179.24 175.24 1u8f n ALA 90 N -2.53 4.30 -0.71 3.45 0.00 -0.57 -4.97 120.51 119.49 1u8f n ALA 90 Ca -0.03 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1u8f n ALA 90 Cb 0.09 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1u8f n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u8f n GLY 91 N 1.49 0.62 3.67 0.00 0.00 -0.69 -4.89 105.19 105.40 1u8f n GLY 91 Ca 0.04 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1u8f n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8f s ALA 92 N -2.00 3.62 -0.20 4.61 0.00 -0.95 -4.72 121.76 122.11 1u8f s ALA 92 Ca 0.00 0.85 -0.20 0.00 0.00 0.00 0.00 51.96 52.61 1u8f s ALA 92 Cb 0.00 -3.67 -0.19 0.00 0.00 0.00 0.00 23.12 19.26 1u8f s ALA 92 CO 0.00 -1.17 0.20 0.39 0.00 0.00 0.00 175.76 175.19 1u8f n GLU 93 N 6.30 0.58 -4.36 0.00 1.02 0.59 -4.32 120.64 120.45 1u8f n GLU 93 Ca 0.15 0.54 -0.32 0.00 -0.02 0.00 0.00 57.16 57.51 1u8f n GLU 93 Cb 0.43 -1.73 -0.10 0.00 -0.02 0.00 0.00 31.44 30.02 1u8f n GLU 93 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1u8f s TYR 94 N -2.39 2.96 -0.08 -0.32 2.02 -0.92 0.06 117.35 118.69 1u8f s TYR 94 Ca -0.29 0.01 0.04 0.00 -0.37 0.00 0.00 57.07 56.45 1u8f s TYR 94 Cb 0.06 -1.62 0.00 0.00 -0.40 0.00 0.00 41.96 40.00 1u8f s TYR 94 CO 0.60 0.42 -0.20 0.08 -1.57 0.00 0.00 175.55 174.88 1u8f s VAL 95 N -1.06 1.70 -0.36 0.71 1.01 -0.33 -0.20 120.40 121.87 1u8f s VAL 95 Ca 0.19 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 61.16 1u8f s VAL 95 Cb -0.11 -1.49 -0.00 0.00 0.00 0.00 0.00 36.38 34.78 1u8f s VAL 95 CO 0.09 0.48 0.50 -0.69 0.00 0.00 0.00 175.10 175.49 1u8f s VAL 96 N 0.36 5.02 -0.73 2.92 1.01 0.27 -0.61 120.40 128.64 1u8f s VAL 96 Ca -0.15 0.25 -0.20 0.00 0.00 0.00 0.00 61.98 61.89 1u8f s VAL 96 Cb -0.16 -3.97 0.11 0.00 0.00 0.00 0.00 36.38 32.35 1u8f s VAL 96 CO 0.06 -0.25 0.91 -0.70 0.00 0.00 0.00 175.10 175.13 1u8f s GLU 97 N 2.37 3.26 -0.23 2.72 2.56 0.00 -0.79 118.70 128.60 1u8f s GLU 97 Ca 0.18 -1.37 0.11 0.00 0.00 0.00 0.00 54.97 53.89 1u8f s GLU 97 Cb -0.16 -4.45 0.44 0.00 2.00 0.00 0.00 34.13 31.96 1u8f s GLU 97 CO 0.14 -1.68 1.20 -1.13 -0.56 0.00 0.00 175.26 173.22 1u8f n SER 98 N 6.68 2.89 0.02 -1.70 3.41 -0.29 -1.45 113.62 123.19 1u8f n SER 98 Ca 0.04 -3.66 -0.04 0.00 -0.26 0.00 0.00 58.87 54.95 1u8f n SER 98 Cb 0.46 -0.44 -0.10 0.00 -0.26 0.00 0.00 64.21 63.86 1u8f n SER 98 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1u8f h THR 99 N 1.99 0.80 0.00 6.66 1.35 -1.83 -3.43 112.91 118.45 1u8f h THR 99 Ca 0.12 -2.45 0.00 0.00 -0.55 0.00 0.00 66.41 63.53 1u8f h THR 99 Cb 1.27 2.31 0.00 0.00 -1.73 0.00 0.00 68.15 70.00 1u8f h THR 99 CO 0.30 0.46 0.00 0.61 -0.25 0.00 0.00 175.52 176.64 1u8f n GLY 100 N 1.44 0.78 0.01 5.82 0.00 -1.26 -4.90 105.19 107.08 1u8f n GLY 100 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1u8f n GLY 100 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1u8f n VAL 101 N -2.09 0.74 -3.04 1.61 0.24 -1.26 -4.74 118.33 109.79 1u8f n VAL 101 Ca 0.00 -0.87 -0.18 0.00 -2.04 0.00 0.00 64.34 61.25 1u8f n VAL 101 Cb 0.00 0.63 -0.02 0.00 -1.47 0.00 0.00 33.84 32.98 1u8f n VAL 101 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1u8f n PHE 102 N -0.35 1.11 1.12 6.34 3.72 -1.26 -4.93 117.46 123.21 1u8f n PHE 102 Ca 0.00 -3.66 0.13 0.00 -0.05 0.00 0.00 57.45 53.86 1u8f n PHE 102 Cb 0.19 -0.41 0.35 0.00 -0.94 0.00 0.00 39.48 38.67 1u8f n PHE 102 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1u8f n THR 103 N 0.11 0.00 -3.01 4.37 -2.24 -1.26 -3.54 114.28 108.71 1u8f n THR 103 Ca 0.24 -0.05 -0.27 0.00 -2.27 0.00 0.00 64.05 61.70 1u8f n THR 103 Cb 0.64 0.22 -0.01 0.00 -2.10 0.00 0.00 70.33 69.07 1u8f n THR 103 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1u8f s THR 104 N -2.79 4.97 0.25 4.28 -4.23 -1.26 -4.33 115.64 112.54 1u8f s THR 104 Ca 0.17 0.03 -0.05 0.00 -1.18 0.00 0.00 61.69 60.66 1u8f s THR 104 Cb 0.18 -3.82 0.26 0.00 1.34 0.00 0.00 72.50 70.46 1u8f s THR 104 CO 0.61 -0.63 1.92 0.24 -0.54 0.00 0.00 174.62 176.22 1u8f h MET 105 N 0.78 1.28 -0.16 3.99 2.86 -1.92 0.27 114.93 122.03 1u8f h MET 105 Ca -0.48 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.07 1u8f h MET 105 Cb 1.20 -0.29 -0.01 0.00 0.06 0.00 0.00 31.60 32.57 1u8f h MET 105 CO 0.63 0.85 0.06 1.49 1.06 0.00 0.00 176.91 180.99 1u8f h GLU 106 N 1.32 0.24 -0.30 1.72 4.81 -1.97 0.11 114.58 120.51 1u8f h GLU 106 Ca 0.38 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.48 1u8f h GLU 106 Cb -0.08 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1u8f h GLU 106 CO -0.10 0.33 -0.14 0.87 -0.73 0.00 0.00 179.01 179.24 1u8f h LYS 107 N 0.10 0.63 -0.16 1.92 1.57 -1.80 -3.12 116.57 115.71 1u8f h LYS 107 Ca 0.05 -0.27 -0.11 0.00 -1.87 0.00 0.00 60.65 58.45 1u8f h LYS 107 Cb 0.18 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1u8f h LYS 107 CO -0.00 0.85 -0.40 0.00 -0.57 0.00 0.00 179.45 179.33 1u8f h ALA 108 N 0.76 1.02 0.00 3.86 0.00 -0.49 -2.91 119.26 121.50 1u8f h ALA 108 Ca 0.07 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1u8f h ALA 108 Cb 0.66 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1u8f h ALA 108 CO 0.04 0.61 0.00 0.41 0.00 0.00 0.00 179.25 180.31 1u8f n GLY 109 N -0.14 -0.86 0.31 0.00 0.00 0.40 -2.60 105.19 102.30 1u8f n GLY 109 Ca -0.01 0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.22 1u8f n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8f h ALA 110 N 2.14 2.02 0.00 4.61 0.00 -1.54 -1.35 119.26 125.14 1u8f h ALA 110 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1u8f h ALA 110 Cb 0.12 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1u8f h ALA 110 CO 0.00 -0.23 -0.06 0.45 0.00 0.00 0.00 179.25 179.41 1u8f h HIS 111 N 0.00 0.00 0.00 0.00 3.86 -1.68 -2.59 115.15 114.74 1u8f h HIS 111 Ca 0.08 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.22 1u8f h HIS 111 Cb 0.37 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 1u8f h HIS 111 CO 0.00 0.06 -0.35 -0.07 0.86 0.00 0.00 177.93 178.43 1u8f h LEU 112 N 0.00 0.00 -1.10 2.43 3.38 -1.44 -2.83 115.31 115.75 1u8f h LEU 112 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1u8f h LEU 112 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1u8f h LEU 112 CO 0.01 0.35 -0.20 1.56 0.09 0.00 0.00 178.44 180.25 1u8f h GLN 113 N 0.00 0.40 -0.00 1.13 4.20 -1.60 -2.47 115.11 116.77 1u8f h GLN 113 Ca -0.00 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.58 1u8f h GLN 113 Cb 0.83 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.57 1u8f h GLN 113 CO 0.05 0.58 -0.00 0.41 -0.67 0.00 0.00 178.83 179.20 1u8f n GLY 114 N -0.56 -0.99 0.00 3.46 0.00 -1.10 -4.88 105.19 101.12 1u8f n GLY 114 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1u8f n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u8f n GLY 115 N 1.05 1.56 3.75 -0.02 0.00 -0.93 -0.91 105.19 109.69 1u8f n GLY 115 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 1u8f n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8f s ALA 116 N -2.05 2.48 -0.22 4.61 0.00 -1.09 -4.58 121.76 120.91 1u8f s ALA 116 Ca 0.00 0.94 0.06 0.00 0.00 0.00 0.00 51.96 52.96 1u8f s ALA 116 Cb 0.00 -3.44 -0.20 0.00 0.00 0.00 0.00 23.12 19.48 1u8f s ALA 116 CO 0.00 -1.27 -0.05 1.63 0.00 0.00 0.00 175.76 176.07 1u8f n LYS 117 N -1.84 0.67 -3.98 0.00 4.76 0.11 -4.35 118.16 113.54 1u8f n LYS 117 Ca 0.13 0.12 -0.09 0.00 -2.87 0.00 0.00 58.31 55.60 1u8f n LYS 117 Cb 0.50 -1.55 -0.10 0.00 -1.84 0.00 0.00 35.03 32.04 1u8f n LYS 117 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1u8f s ARG 118 N -2.52 0.50 -0.04 1.97 0.52 -1.07 -4.84 118.95 113.48 1u8f s ARG 118 Ca -0.25 -0.80 0.03 0.00 -0.52 0.00 0.00 55.73 54.19 1u8f s ARG 118 Cb 0.08 0.19 0.00 0.00 0.52 0.00 0.00 34.95 35.74 1u8f s ARG 118 CO 0.69 -0.11 -0.13 0.08 0.02 0.00 0.00 175.30 175.85 1u8f s VAL 119 N -2.49 1.14 -0.28 3.52 1.01 0.15 -1.19 120.40 122.27 1u8f s VAL 119 Ca -0.06 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1u8f s VAL 119 Cb -0.02 -1.01 0.05 0.00 0.00 0.00 0.00 36.38 35.40 1u8f s VAL 119 CO -0.04 0.34 -0.04 -0.63 0.00 0.00 0.00 175.10 174.73 1u8f s ILE 120 N 0.27 2.77 -0.12 2.22 1.09 0.22 -1.28 121.20 126.36 1u8f s ILE 120 Ca -0.07 -1.36 -0.29 0.00 -1.10 0.00 0.00 60.65 57.83 1u8f s ILE 120 Cb -0.12 -2.56 -0.01 0.00 -1.06 0.00 0.00 42.46 38.71 1u8f s ILE 120 CO 0.02 -0.02 0.97 -0.63 -0.10 0.00 0.00 174.94 175.18 1u8f s ILE 121 N 1.23 4.81 -0.21 2.92 1.01 0.47 -0.82 121.20 130.61 1u8f s ILE 121 Ca -0.05 1.95 -0.03 0.00 0.00 0.00 0.00 60.65 62.53 1u8f s ILE 121 Cb -0.19 -4.27 0.03 0.00 0.01 0.00 0.00 42.46 38.03 1u8f s ILE 121 CO -0.03 0.01 2.54 -1.54 0.00 0.00 0.00 174.94 175.93 1u8f n SER 122 N 5.03 5.96 -3.68 3.58 3.41 -0.53 -1.67 113.62 125.73 1u8f n SER 122 Ca 0.08 -2.83 -0.03 0.00 -0.26 0.00 0.00 58.87 55.83 1u8f n SER 122 Cb 0.49 -1.19 -0.01 0.00 -0.26 0.00 0.00 64.21 63.23 1u8f n SER 122 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u8f s ALA 123 N -0.78 -1.85 0.70 7.33 0.00 -1.21 -4.93 121.76 121.02 1u8f s ALA 123 Ca 0.39 0.48 -0.15 0.00 0.00 0.00 0.00 51.96 52.67 1u8f s ALA 123 Cb 0.24 0.50 0.02 0.00 0.00 0.00 0.00 23.12 23.88 1u8f s ALA 123 CO -0.06 -0.97 1.17 -2.14 0.00 0.00 0.00 175.76 173.77 1u8f s PRO 124 N -3.00 2.38 0.03 0.00 0.02 -1.21 -4.04 135.00 129.18 1u8f s PRO 124 Ca 0.12 1.63 0.05 0.00 0.02 0.00 0.00 61.00 62.82 1u8f s PRO 124 Cb 0.00 -1.88 -0.02 0.00 0.02 0.00 0.00 34.50 32.63 1u8f s PRO 124 CO -0.01 -1.62 -0.15 0.45 -0.33 0.00 0.00 177.00 175.34 1u8f s SER 125 N -2.21 1.75 0.38 2.53 0.15 -1.26 -4.92 113.70 110.12 1u8f s SER 125 Ca 0.72 -0.44 0.12 0.00 0.70 0.00 0.00 55.95 57.05 1u8f s SER 125 Cb -0.26 -0.13 0.74 0.00 -1.71 0.00 0.00 66.02 64.67 1u8f s SER 125 CO 0.44 0.06 1.85 0.00 1.20 0.00 0.00 173.24 176.79 1u8f h ALA 126 N 5.04 1.42 0.00 5.45 0.00 -1.96 -3.38 119.26 125.82 1u8f h ALA 126 Ca -0.38 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1u8f h ALA 126 Cb 1.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1u8f h ALA 126 CO 0.45 0.43 -0.18 -0.40 0.00 0.00 0.00 179.25 179.54 1u8f n ASP 127 N -4.15 0.90 -4.74 0.00 5.75 -1.26 -5.07 116.55 107.98 1u8f n ASP 127 Ca -0.02 -0.05 -0.41 0.00 -0.01 0.00 0.00 54.79 54.30 1u8f n ASP 127 Cb 0.37 0.28 -0.04 0.00 -1.03 0.00 0.00 41.12 40.70 1u8f n ASP 127 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1u8f s ALA 128 N -0.46 3.41 0.20 2.12 0.00 -1.26 -4.95 121.76 120.82 1u8f s ALA 128 Ca 0.00 0.90 -0.33 0.00 0.00 0.00 0.00 51.96 52.53 1u8f s ALA 128 Cb 0.00 -3.39 -0.14 0.00 0.00 0.00 0.00 23.12 19.59 1u8f s ALA 128 CO 0.00 -0.31 1.46 -2.30 0.00 0.00 0.00 175.76 174.61 1u8f n PRO 129 N 2.48 2.02 -4.09 0.00 -0.02 -1.26 -4.51 135.00 129.61 1u8f n PRO 129 Ca 0.04 0.72 -0.35 0.00 -2.02 0.00 0.00 63.50 61.89 1u8f n PRO 129 Cb 0.45 -2.42 -0.07 0.00 -0.02 0.00 0.00 33.50 31.44 1u8f n PRO 129 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1u8f s MET 130 N 0.14 3.18 0.04 -0.52 -1.94 -1.26 -0.39 119.30 118.55 1u8f s MET 130 Ca 0.73 -0.35 0.03 0.00 -1.71 0.00 0.00 55.69 54.38 1u8f s MET 130 Cb -0.68 -2.95 -0.02 0.00 2.01 0.00 0.00 34.83 33.19 1u8f s MET 130 CO 0.45 0.70 -0.09 -0.06 -0.01 0.00 0.00 175.02 176.01 1u8f s PHE 131 N -1.09 0.76 -0.12 -0.03 0.08 0.04 -4.76 117.98 112.86 1u8f s PHE 131 Ca 0.19 -0.41 -0.01 0.00 0.12 0.00 0.00 56.93 56.82 1u8f s PHE 131 Cb -0.12 -0.45 0.03 0.00 -0.57 0.00 0.00 43.02 41.91 1u8f s PHE 131 CO 0.09 -0.04 -0.04 0.08 -0.10 0.00 0.00 175.22 175.21 1u8f s VAL 132 N -1.10 0.82 0.18 -0.44 1.01 -1.26 -3.93 120.40 115.68 1u8f s VAL 132 Ca -0.06 -0.28 -0.33 0.00 0.00 0.00 0.00 61.98 61.31 1u8f s VAL 132 Cb -0.08 -0.96 -0.14 0.00 0.00 0.00 0.00 36.38 35.20 1u8f s VAL 132 CO 0.01 0.23 1.56 0.23 0.00 0.00 0.00 175.10 177.13 1u8f n MET 133 N 4.99 2.19 0.00 2.72 2.81 -1.26 -1.26 117.12 127.30 1u8f n MET 133 Ca -0.11 0.79 0.00 0.00 -1.81 0.00 0.00 57.70 56.57 1u8f n MET 133 Cb 0.49 -2.55 0.00 0.00 -0.71 0.00 0.00 33.22 30.46 1u8f n MET 133 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u8f n GLY 134 N 3.24 1.71 0.68 3.03 0.00 -1.26 -4.84 105.19 107.76 1u8f n GLY 134 Ca 0.16 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 1u8f n GLY 134 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1u8f n VAL 135 N -2.00 0.37 -1.98 1.61 0.31 -0.39 -4.93 118.33 111.31 1u8f n VAL 135 Ca 0.00 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1u8f n VAL 135 Cb 0.00 -1.46 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 1u8f n VAL 135 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1u8f n ASN 136 N -3.21 0.00 0.29 4.52 6.94 -0.87 -4.90 115.26 118.03 1u8f n ASN 136 Ca -0.13 -1.54 0.17 0.00 -0.02 0.00 0.00 54.58 53.06 1u8f n ASN 136 Cb 0.60 -0.11 0.89 0.00 -2.36 0.00 0.00 39.78 38.80 1u8f n ASN 136 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 1u8f h HIS 137 N 0.00 0.00 0.00 -2.53 2.07 -1.91 -0.63 115.15 112.15 1u8f h HIS 137 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1u8f h HIS 137 Cb 1.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.20 1u8f h HIS 137 CO -0.07 0.05 0.00 0.39 -3.07 0.00 0.00 177.93 175.23 1u8f n GLU 138 N -3.35 0.00 0.00 5.12 1.02 -1.26 -2.07 120.64 120.11 1u8f n GLU 138 Ca -0.02 0.18 0.14 0.00 -0.02 0.00 0.00 57.16 57.44 1u8f n GLU 138 Cb 0.19 -1.50 0.69 0.00 -0.02 0.00 0.00 31.44 30.80 1u8f n GLU 138 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1u8f n LYS 139 N -1.50 0.25 -2.48 3.49 4.76 -0.24 -4.81 118.16 117.62 1u8f n LYS 139 Ca 0.05 0.01 -0.37 0.00 -2.87 0.00 0.00 58.31 55.13 1u8f n LYS 139 Cb 0.22 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.87 1u8f n LYS 139 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1u8f s TYR 140 N -2.75 3.18 0.12 2.13 5.04 -0.88 -5.06 117.35 119.14 1u8f s TYR 140 Ca 0.22 1.62 -0.10 0.00 -2.44 0.00 0.00 57.07 56.37 1u8f s TYR 140 Cb 0.19 -3.18 0.00 0.00 0.35 0.00 0.00 41.96 39.33 1u8f s TYR 140 CO 0.48 -0.81 0.25 0.16 -1.34 0.00 0.00 175.55 174.29 1u8f s ASP 141 N -1.53 0.04 0.19 4.32 1.47 -1.26 -5.05 116.67 114.85 1u8f s ASP 141 Ca 0.59 -0.65 0.10 0.00 1.18 0.00 0.00 52.55 53.77 1u8f s ASP 141 Cb -0.23 0.39 0.56 0.00 -0.34 0.00 0.00 42.92 43.29 1u8f s ASP 141 CO 0.29 -0.80 1.24 0.59 0.68 0.00 0.00 175.17 177.17 1u8f n ASN 142 N -0.13 0.27 0.19 2.11 3.02 -1.26 -1.84 115.26 117.62 1u8f n ASN 142 Ca -0.13 0.55 0.14 0.00 -0.03 0.00 0.00 54.58 55.10 1u8f n ASN 142 Cb 0.63 -0.55 0.40 0.00 -0.61 0.00 0.00 39.78 39.65 1u8f n ASN 142 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1u8f h SER 143 N 0.00 0.00 -3.61 6.41 4.64 -2.00 -3.42 113.55 115.58 1u8f h SER 143 Ca 0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 1u8f h SER 143 Cb 0.28 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.25 1u8f h SER 143 CO 0.00 0.00 0.38 -0.76 -0.87 0.00 0.00 176.83 175.58 1u8f s LEU 144 N -5.56 4.20 0.05 5.97 1.43 -0.76 -4.88 118.68 119.14 1u8f s LEU 144 Ca 0.06 0.01 0.22 0.00 -1.03 0.00 0.00 54.13 53.39 1u8f s LEU 144 Cb 0.08 -3.00 -0.20 0.00 0.03 0.00 0.00 46.19 43.11 1u8f s LEU 144 CO 0.58 -0.88 0.69 0.29 0.23 0.00 0.00 176.35 177.25 1u8f n LYS 145 N 6.69 0.64 -3.81 1.70 4.76 -1.26 -4.83 118.16 122.04 1u8f n LYS 145 Ca 0.03 -0.05 -0.26 0.00 -2.87 0.00 0.00 58.31 55.16 1u8f n LYS 145 Cb 0.48 -1.65 -0.17 0.00 -1.84 0.00 0.00 35.03 31.85 1u8f n LYS 145 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1u8f s ILE 146 N -3.39 0.71 0.28 -0.18 1.01 -1.26 0.31 121.20 118.68 1u8f s ILE 146 Ca -0.05 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.30 1u8f s ILE 146 Cb 0.12 -0.94 -0.05 0.00 0.01 0.00 0.00 42.46 41.60 1u8f s ILE 146 CO 0.86 0.12 0.11 0.27 0.00 0.00 0.00 174.94 176.29 1u8f s ILE 147 N 1.81 0.57 0.04 2.92 -4.36 -0.41 -4.24 121.20 117.53 1u8f s ILE 147 Ca 0.02 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.49 1u8f s ILE 147 Cb -0.14 -2.61 -0.02 0.00 1.25 0.00 0.00 42.46 40.93 1u8f s ILE 147 CO -0.07 0.00 -0.22 -0.55 0.24 0.00 0.00 174.94 174.34 1u8f s SER 148 N -3.36 2.56 -0.26 4.36 0.15 0.47 -0.40 113.70 117.23 1u8f s SER 148 Ca 0.37 -0.51 0.13 0.00 0.70 0.00 0.00 55.95 56.63 1u8f s SER 148 Cb 0.07 -0.22 0.81 0.00 -1.71 0.00 0.00 66.02 64.97 1u8f s SER 148 CO 0.15 0.18 1.78 -3.20 1.20 0.00 0.00 173.24 173.35 1u8f n ASN 149 N 1.92 5.56 0.00 5.45 5.15 -0.67 -0.78 115.26 131.89 1u8f n ASN 149 Ca -0.17 -3.01 0.00 0.00 -0.60 0.00 0.00 54.58 50.80 1u8f n ASN 149 Cb 0.53 -0.71 0.00 0.00 -0.53 0.00 0.00 39.78 39.07 1u8f n ASN 149 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1u8f n ALA 150 N 0.43 0.00 -2.46 5.20 0.00 -1.25 -4.79 120.51 117.63 1u8f n ALA 150 Ca 0.31 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.51 1u8f n ALA 150 Cb 1.26 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.64 1u8f n ALA 150 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1u8f s SER 151 N -4.00 4.43 0.15 0.00 1.04 -1.26 -3.29 113.70 110.77 1u8f s SER 151 Ca 0.00 -1.01 -0.16 0.00 0.48 0.00 0.00 55.95 55.26 1u8f s SER 151 Cb 0.00 -0.53 0.01 0.00 0.10 0.00 0.00 66.02 65.60 1u8f s SER 151 CO 0.00 -0.45 1.78 0.00 0.98 0.00 0.00 173.24 175.54 1u8f h THR 153 N 0.54 1.23 -0.31 0.00 2.02 -1.96 -1.39 112.91 113.05 1u8f h THR 153 Ca 0.15 -0.59 -0.09 0.00 0.77 0.00 0.00 66.41 66.64 1u8f h THR 153 Cb 0.00 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.62 1u8f h THR 153 CO -0.03 0.26 -0.20 0.74 0.37 0.00 0.00 175.52 176.67 1u8f h THR 154 N 1.07 1.26 0.00 3.16 2.02 -1.72 -0.48 112.91 118.22 1u8f h THR 154 Ca 0.27 -1.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.22 1u8f h THR 154 Cb 0.05 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1u8f h THR 154 CO -0.04 0.39 -0.10 0.78 0.37 0.00 0.00 175.52 176.92 1u8f h ASN 155 N 0.52 0.00 0.03 4.18 2.35 -0.64 0.79 115.58 122.81 1u8f h ASN 155 Ca 0.08 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.69 1u8f h ASN 155 Cb 0.63 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 1u8f h ASN 155 CO 0.04 0.10 -0.75 0.00 -1.65 0.00 0.00 177.43 175.18 1u8f h LEU 157 N -0.85 0.81 -0.34 0.00 5.85 -1.00 -3.34 115.31 116.44 1u8f h LEU 157 Ca -0.19 -0.50 0.06 0.00 0.84 0.00 0.00 57.88 58.09 1u8f h LEU 157 Cb 1.27 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 1u8f h LEU 157 CO -0.06 1.14 0.00 0.00 -0.34 0.00 0.00 178.44 179.18 1u8f h ALA 158 N 0.69 0.30 -0.88 1.25 0.00 -1.05 0.17 119.26 119.74 1u8f h ALA 158 Ca 0.04 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1u8f h ALA 158 Cb 0.95 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 1u8f h ALA 158 CO 0.09 -0.40 0.56 -1.35 0.00 0.00 0.00 179.25 178.14 1u8f h PRO 159 N 0.10 1.17 -0.19 0.00 0.11 -1.75 0.10 132.00 131.55 1u8f h PRO 159 Ca 0.16 -0.09 -0.04 0.00 0.11 0.00 0.00 66.00 66.14 1u8f h PRO 159 Cb 0.22 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 1u8f h PRO 159 CO -0.27 0.80 -0.05 1.25 -0.21 0.00 0.00 178.00 179.52 1u8f h LEU 160 N 1.20 0.36 -1.22 2.35 5.85 -1.58 -2.74 115.31 119.53 1u8f h LEU 160 Ca 0.32 -0.37 0.04 0.00 0.84 0.00 0.00 57.88 58.71 1u8f h LEU 160 Cb -0.10 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 1u8f h LEU 160 CO -0.06 0.65 0.54 0.00 -0.34 0.00 0.00 178.44 179.22 1u8f h ALA 161 N 0.73 1.50 -0.15 1.25 0.00 -0.35 -1.09 119.26 121.16 1u8f h ALA 161 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1u8f h ALA 161 Cb 0.49 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1u8f h ALA 161 CO 0.02 0.42 0.09 -0.22 0.00 0.00 0.00 179.25 179.56 1u8f h LYS 162 N 1.01 0.20 -0.29 0.00 3.64 -0.64 0.25 116.57 120.74 1u8f h LYS 162 Ca 0.33 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.66 1u8f h LYS 162 Cb 0.04 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1u8f h LYS 162 CO -0.10 0.16 0.05 0.28 -2.27 0.00 0.00 179.45 177.58 1u8f h VAL 163 N 0.18 1.23 -0.43 2.00 2.07 -1.15 0.64 116.25 120.79 1u8f h VAL 163 Ca 0.05 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 1u8f h VAL 163 Cb 0.01 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1u8f h VAL 163 CO -0.01 0.25 0.12 0.40 0.02 0.00 0.00 177.57 178.35 1u8f h ILE 164 N 0.30 1.23 -0.22 4.57 1.08 -1.09 -2.31 117.51 121.06 1u8f h ILE 164 Ca 0.09 -0.77 -0.05 0.00 -0.39 0.00 0.00 64.86 63.74 1u8f h ILE 164 Cb 0.33 0.91 -0.01 0.00 -3.07 0.00 0.00 36.82 34.98 1u8f h ILE 164 CO 0.00 0.27 -0.06 -0.74 -0.69 0.00 0.00 178.15 176.93 1u8f h HIS 165 N 0.56 0.49 -0.84 1.37 2.76 -0.44 0.86 115.15 119.92 1u8f h HIS 165 Ca 0.14 -0.11 0.11 0.00 -2.20 0.00 0.00 60.37 58.31 1u8f h HIS 165 Cb 0.29 -0.12 -0.06 0.00 1.55 0.00 0.00 27.41 29.07 1u8f h HIS 165 CO 0.02 0.68 0.54 -0.44 -1.30 0.00 0.00 177.93 177.43 1u8f h ASP 166 N 0.17 0.68 0.08 3.26 3.32 -0.81 -0.57 116.42 122.55 1u8f h ASP 166 Ca 0.06 0.02 -0.37 0.00 0.02 0.00 0.00 57.03 56.76 1u8f h ASP 166 Cb 0.52 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 1u8f h ASP 166 CO 0.02 0.39 -2.13 0.59 -1.72 0.00 0.00 179.24 176.40 1u8f n ASN 167 N -4.52 2.07 -0.00 6.45 3.02 -0.88 -4.74 115.26 116.65 1u8f n ASN 167 Ca 0.15 0.12 0.01 0.00 -0.03 0.00 0.00 54.58 54.82 1u8f n ASN 167 Cb 0.36 -0.73 -0.01 0.00 -0.61 0.00 0.00 39.78 38.79 1u8f n ASN 167 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1u8f n PHE 168 N -3.47 0.00 -0.51 3.10 3.72 0.27 -4.94 117.46 115.62 1u8f n PHE 168 Ca -0.37 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.03 1u8f n PHE 168 Cb 1.01 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.52 1u8f n PHE 168 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1u8f n GLY 169 N 2.20 -3.64 3.56 1.37 0.00 -0.22 -0.62 105.19 107.84 1u8f n GLY 169 Ca -0.00 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 1u8f n GLY 169 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u8f s ILE 170 N -0.00 5.11 -0.05 -0.61 1.01 -1.26 -0.21 121.20 125.18 1u8f s ILE 170 Ca 0.00 0.30 -0.24 0.00 0.00 0.00 0.00 60.65 60.71 1u8f s ILE 170 Cb 0.00 -3.85 -0.24 0.00 0.01 0.00 0.00 42.46 38.37 1u8f s ILE 170 CO 0.00 -0.08 1.00 0.58 0.00 0.00 0.00 174.94 176.44 1u8f h VAL 171 N 5.53 1.55 -1.95 2.92 2.07 -1.22 -3.47 116.25 121.68 1u8f h VAL 171 Ca -0.29 -2.05 -0.04 0.00 0.82 0.00 0.00 66.70 65.14 1u8f h VAL 171 Cb 1.14 2.84 -0.20 0.00 -1.52 0.00 0.00 31.29 33.55 1u8f h VAL 171 CO 0.71 0.56 0.23 -1.83 0.02 0.00 0.00 177.57 177.27 1u8f s GLU 172 N -3.00 0.99 -0.08 1.57 -1.05 -1.23 -4.84 118.70 111.07 1u8f s GLU 172 Ca -0.16 0.30 -0.16 0.00 -0.15 0.00 0.00 54.97 54.80 1u8f s GLU 172 Cb 0.01 0.47 0.04 0.00 -0.44 0.00 0.00 34.13 34.20 1u8f s GLU 172 CO 0.75 -0.29 0.40 0.20 0.95 0.00 0.00 175.26 177.26 1u8f s GLY 173 N -1.05 -0.27 -0.08 -3.83 0.00 0.32 -1.16 107.32 101.25 1u8f s GLY 173 Ca -0.09 0.79 0.02 0.00 0.00 0.00 0.00 44.72 45.44 1u8f s GLY 173 CO 0.08 0.58 -0.14 1.08 0.00 0.00 0.00 173.10 174.70 1u8f s LEU 174 N -0.68 1.71 -0.00 0.66 1.43 0.02 -2.89 118.68 118.92 1u8f s LEU 174 Ca -0.08 -0.36 0.04 0.00 -1.03 0.00 0.00 54.13 52.71 1u8f s LEU 174 Cb -0.04 -0.95 -0.03 0.00 0.03 0.00 0.00 46.19 45.20 1u8f s LEU 174 CO 0.03 0.04 -0.11 -0.32 0.23 0.00 0.00 176.35 176.23 1u8f s MET 175 N 0.70 2.46 -0.04 1.70 -2.45 0.12 -1.10 119.30 120.69 1u8f s MET 175 Ca -0.13 -0.76 0.04 0.00 -1.25 0.00 0.00 55.69 53.58 1u8f s MET 175 Cb -0.16 -2.42 -0.00 0.00 1.25 0.00 0.00 34.83 33.50 1u8f s MET 175 CO 0.03 0.60 -0.15 0.99 1.05 0.00 0.00 175.02 177.54 1u8f s THR 176 N -0.92 1.28 -0.12 10.11 2.01 -0.34 -1.09 115.64 126.58 1u8f s THR 176 Ca 0.15 -0.63 0.03 0.00 0.31 0.00 0.00 61.69 61.56 1u8f s THR 176 Cb -0.11 -1.12 0.00 0.00 0.01 0.00 0.00 72.50 71.29 1u8f s THR 176 CO 0.05 0.38 -0.23 0.28 -0.69 0.00 0.00 174.62 174.41 1u8f s THR 177 N 0.14 2.11 -0.44 -0.82 -1.32 -0.76 -0.07 115.64 114.47 1u8f s THR 177 Ca -0.05 -0.99 -0.18 0.00 -1.21 0.00 0.00 61.69 59.27 1u8f s THR 177 Cb -0.11 -1.82 0.03 0.00 -1.51 0.00 0.00 72.50 69.09 1u8f s THR 177 CO 0.02 0.55 0.49 -0.69 -2.21 0.00 0.00 174.62 172.79 1u8f s VAL 178 N 0.55 5.03 -0.00 5.08 1.01 -0.31 -1.06 120.40 130.69 1u8f s VAL 178 Ca -0.14 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.52 1u8f s VAL 178 Cb -0.17 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 1u8f s VAL 178 CO 0.04 -0.52 -0.13 -2.28 0.00 0.00 0.00 175.10 172.21 1u8f s HIS 179 N 2.27 2.73 0.80 5.22 5.04 0.17 -1.07 115.29 130.45 1u8f s HIS 179 Ca 0.13 -0.14 -0.11 0.00 -1.54 0.00 0.00 55.06 53.40 1u8f s HIS 179 Cb -0.18 -1.57 0.08 0.00 0.04 0.00 0.00 32.58 30.95 1u8f s HIS 179 CO 0.13 0.28 1.11 0.00 -2.34 0.00 0.00 174.74 173.92 1u8f s ALA 180 N -0.89 2.06 0.70 1.58 0.00 -1.25 -1.21 121.76 122.75 1u8f s ALA 180 Ca 0.14 0.38 -0.14 0.00 0.00 0.00 0.00 51.96 52.35 1u8f s ALA 180 Cb -0.11 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.71 1u8f s ALA 180 CO 0.04 -2.01 1.12 0.96 0.00 0.00 0.00 175.76 175.87 1u8f s ILE 181 N -2.79 3.14 0.36 0.00 -4.36 -0.20 -4.75 121.20 112.60 1u8f s ILE 181 Ca 0.63 0.49 0.04 0.00 -0.26 0.00 0.00 60.65 61.55 1u8f s ILE 181 Cb -0.19 -2.99 -0.03 0.00 1.25 0.00 0.00 42.46 40.50 1u8f s ILE 181 CO 0.56 -0.37 0.14 0.42 0.24 0.00 0.00 174.94 175.93 1u8f s THR 182 N -2.45 0.52 0.58 8.37 -4.23 -1.26 -4.72 115.64 112.45 1u8f s THR 182 Ca 0.66 -2.00 0.41 0.00 -1.18 0.00 0.00 61.69 59.59 1u8f s THR 182 Cb -0.21 -2.45 0.41 0.00 1.34 0.00 0.00 72.50 71.59 1u8f s THR 182 CO 0.46 0.00 2.27 0.00 -0.54 0.00 0.00 174.62 176.81 1u8f h ALA 183 N 1.98 1.03 0.00 3.99 0.00 -1.99 -1.93 119.26 122.34 1u8f h ALA 183 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1u8f h ALA 183 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1u8f h ALA 183 CO 0.55 -0.03 0.00 1.79 0.00 0.00 0.00 179.25 181.56 1u8f h THR 184 N 0.00 0.00 -3.99 0.00 1.35 -1.99 -3.46 112.91 104.83 1u8f h THR 184 Ca 0.00 -0.55 -0.46 0.00 -0.55 0.00 0.00 66.41 64.85 1u8f h THR 184 Cb 0.05 1.50 0.09 0.00 -1.73 0.00 0.00 68.15 68.06 1u8f h THR 184 CO 0.00 0.00 0.30 -1.10 -0.25 0.00 0.00 175.52 174.47 1u8f s GLN 185 N -3.23 1.98 0.09 4.72 -0.21 -0.73 -4.95 119.66 117.34 1u8f s GLN 185 Ca 0.08 -0.19 0.07 0.00 0.02 0.00 0.00 55.36 55.34 1u8f s GLN 185 Cb 0.10 -2.08 -0.04 0.00 1.00 0.00 0.00 33.01 31.99 1u8f s GLN 185 CO 0.57 -1.45 -0.13 0.15 -2.12 0.00 0.00 175.29 172.31 1u8f s LYS 186 N -5.40 2.06 0.21 2.91 -0.14 -1.26 -5.00 119.74 113.13 1u8f s LYS 186 Ca 0.62 -1.04 -0.02 0.00 -1.36 0.00 0.00 55.97 54.17 1u8f s LYS 186 Cb -0.10 -2.25 0.18 0.00 -1.68 0.00 0.00 37.83 33.98 1u8f s LYS 186 CO 0.47 0.51 1.56 1.79 -0.76 0.00 0.00 175.35 178.91 1u8f h THR 187 N 3.43 1.31 -4.09 2.17 1.35 -1.91 0.53 112.91 115.70 1u8f h THR 187 Ca -0.49 -1.68 -0.23 0.00 -0.55 0.00 0.00 66.41 63.46 1u8f h THR 187 Cb 1.17 1.66 -0.15 0.00 -1.73 0.00 0.00 68.15 69.10 1u8f h THR 187 CO 0.50 0.52 -0.66 0.68 -0.25 0.00 0.00 175.52 176.32 1u8f s VAL 188 N -4.12 0.40 -0.38 6.82 -7.23 -1.26 -4.04 120.40 110.58 1u8f s VAL 188 Ca -0.07 -1.94 -0.39 0.00 -1.81 0.00 0.00 61.98 57.77 1u8f s VAL 188 Cb 0.12 -2.03 -0.15 0.00 0.56 0.00 0.00 36.38 34.88 1u8f s VAL 188 CO 0.83 -0.52 2.07 0.47 -0.31 0.00 0.00 175.10 177.64 1u8f n ASP 189 N -0.15 1.75 -3.45 4.85 9.92 -1.26 -4.17 116.55 124.04 1u8f n ASP 189 Ca -0.07 0.64 -0.17 0.00 -0.53 0.00 0.00 54.79 54.66 1u8f n ASP 189 Cb 0.63 -1.12 -0.07 0.00 -0.64 0.00 0.00 41.12 39.92 1u8f n ASP 189 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1u8f s GLY 190 N 6.08 1.97 0.21 0.44 0.00 0.57 -4.91 107.32 111.67 1u8f s GLY 190 Ca 1.10 -1.86 -0.31 0.00 0.00 0.00 0.00 44.72 43.65 1u8f s GLY 190 CO 0.58 -1.33 1.56 -4.14 0.00 0.00 0.00 173.10 169.77 1u8f s PRO 191 N -3.45 4.21 -0.48 2.90 0.02 -1.26 -4.43 135.00 132.50 1u8f s PRO 191 Ca 0.38 2.40 0.06 0.00 0.02 0.00 0.00 61.00 63.86 1u8f s PRO 191 Cb 0.02 -3.12 0.24 0.00 0.02 0.00 0.00 34.50 31.67 1u8f s PRO 191 CO 0.23 -0.58 0.87 0.45 -0.33 0.00 0.00 177.00 177.64 1u8f n SER 192 N 3.36 -2.68 -0.31 2.53 2.88 -1.26 -4.83 113.62 113.30 1u8f n SER 192 Ca 0.12 -3.28 0.21 0.00 -1.33 0.00 0.00 58.87 54.59 1u8f n SER 192 Cb 0.38 1.67 0.48 0.00 -0.75 0.00 0.00 64.21 65.99 1u8f n SER 192 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1u8f h GLY 193 N 3.98 1.26 1.77 0.46 0.00 -1.95 -2.13 103.07 106.45 1u8f h GLY 193 Ca -0.13 -0.23 -0.17 0.00 0.00 0.00 0.00 47.33 46.80 1u8f h GLY 193 CO 0.33 -0.11 -0.91 0.50 0.00 0.00 0.00 176.54 176.36 1u8f h LYS 194 N 0.45 0.00 -2.38 4.80 1.57 -2.04 -3.41 116.57 115.57 1u8f h LYS 194 Ca 0.57 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.80 1u8f h LYS 194 Cb 1.36 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 33.30 1u8f h LYS 194 CO -0.29 0.65 -0.90 -0.51 -0.57 0.00 0.00 179.45 177.83 1u8f s LEU 195 N -6.42 1.04 0.28 2.94 1.43 -0.83 -5.03 118.68 112.10 1u8f s LEU 195 Ca 0.01 -2.59 0.03 0.00 -1.03 0.00 0.00 54.13 50.55 1u8f s LEU 195 Cb 0.09 -0.28 0.69 0.00 0.03 0.00 0.00 46.19 46.72 1u8f s LEU 195 CO 0.79 -0.23 1.70 -0.50 0.23 0.00 0.00 176.35 178.35 1u8f h TRP 196 N 6.23 0.65 -0.37 0.29 4.06 -1.71 -1.37 115.95 123.72 1u8f h TRP 196 Ca 0.17 0.04 -0.03 0.00 2.06 0.00 0.00 58.89 61.12 1u8f h TRP 196 Cb 0.95 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 28.94 1u8f h TRP 196 CO 0.33 -0.02 0.08 0.00 -3.56 0.00 0.00 178.44 175.27 1u8f h ARG 197 N 0.42 0.54 0.00 0.49 3.08 -1.91 -2.19 114.38 114.82 1u8f h ARG 197 Ca 0.54 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.50 1u8f h ARG 197 Cb 0.99 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1u8f h ARG 197 CO -0.50 0.51 0.00 -0.44 -1.07 0.00 0.00 179.97 178.46 1u8f h ASP 198 N 0.53 0.00 1.17 7.04 3.32 -1.56 -2.44 116.42 124.48 1u8f h ASP 198 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1u8f h ASP 198 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1u8f h ASP 198 CO -0.00 0.00 -0.36 1.23 -1.72 0.00 0.00 179.24 178.38 1u8f h GLY 199 N 1.56 0.00 -2.38 2.75 0.00 -1.43 -3.35 103.07 100.22 1u8f h GLY 199 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 1u8f h GLY 199 CO 0.00 0.00 0.46 0.50 0.00 0.00 0.00 176.54 177.50 1u8f s ARG 200 N -3.15 3.55 -0.42 4.80 1.81 -0.92 -0.32 118.95 124.30 1u8f s ARG 200 Ca 0.08 1.68 -0.43 0.00 -1.72 0.00 0.00 55.73 55.34 1u8f s ARG 200 Cb 0.12 -2.19 -0.17 0.00 -0.45 0.00 0.00 34.95 32.26 1u8f s ARG 200 CO 0.67 -0.71 1.87 0.41 -0.68 0.00 0.00 175.30 176.86 1u8f n GLY 201 N 0.29 0.34 0.18 -3.53 0.00 -1.26 -4.52 105.19 96.69 1u8f n GLY 201 Ca 0.10 1.01 0.02 0.00 0.00 0.00 0.00 46.02 47.14 1u8f n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8f h ALA 202 N 7.71 1.33 0.00 4.61 0.00 -1.02 -2.52 119.26 129.37 1u8f h ALA 202 Ca -0.34 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.05 1u8f h ALA 202 Cb 1.36 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 1u8f h ALA 202 CO 1.01 0.50 -0.75 -0.07 0.00 0.00 0.00 179.25 179.94 1u8f h LEU 203 N 0.00 0.00 0.00 0.00 4.07 -1.79 -3.33 115.31 114.25 1u8f h LEU 203 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1u8f h LEU 203 Cb 0.71 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.45 1u8f h LEU 203 CO 0.05 0.75 -1.10 0.00 -1.08 0.00 0.00 178.44 177.06 1u8f n GLN 204 N -3.43 0.59 -4.37 1.13 6.02 -1.15 -4.77 117.38 111.38 1u8f n GLN 204 Ca 0.00 0.08 -0.24 0.00 -0.01 0.00 0.00 57.00 56.84 1u8f n GLN 204 Cb 0.78 -1.78 -0.11 0.00 1.02 0.00 0.00 30.24 30.15 1u8f n GLN 204 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1u8f s ASN 205 N -5.18 3.00 -0.23 1.08 -0.87 -0.96 -5.07 114.94 106.71 1u8f s ASN 205 Ca -0.01 -0.88 -0.12 0.00 -1.57 0.00 0.00 52.86 50.28 1u8f s ASN 205 Cb 0.10 -0.20 -0.05 0.00 -0.02 0.00 0.00 41.25 41.09 1u8f s ASN 205 CO 0.80 0.02 0.24 -0.63 -2.57 0.00 0.00 177.10 174.96 1u8f s ILE 206 N -1.98 5.30 -0.20 0.60 1.01 -1.26 -4.22 121.20 120.46 1u8f s ILE 206 Ca 0.19 0.35 0.01 0.00 0.00 0.00 0.00 60.65 61.20 1u8f s ILE 206 Cb -0.06 -3.57 0.04 0.00 0.01 0.00 0.00 42.46 38.87 1u8f s ILE 206 CO 0.08 0.31 -0.12 -0.63 0.00 0.00 0.00 174.94 174.58 1u8f s ILE 207 N 1.18 1.76 0.41 2.92 1.01 0.19 -4.92 121.20 123.75 1u8f s ILE 207 Ca 0.11 -1.06 -0.26 0.00 0.00 0.00 0.00 60.65 59.44 1u8f s ILE 207 Cb -0.14 -1.80 -0.08 0.00 0.01 0.00 0.00 42.46 40.45 1u8f s ILE 207 CO 0.06 0.21 1.26 -2.84 0.00 0.00 0.00 174.94 173.62 1u8f s PRO 208 N 1.35 3.97 -0.06 2.79 0.02 -1.26 -0.32 135.00 141.49 1u8f s PRO 208 Ca -0.01 2.05 -0.13 0.00 0.02 0.00 0.00 61.00 62.93 1u8f s PRO 208 Cb -0.16 -2.72 0.03 0.00 0.02 0.00 0.00 34.50 31.67 1u8f s PRO 208 CO -0.09 -0.46 0.31 0.00 -0.33 0.00 0.00 177.00 176.43 1u8f s ALA 209 N -1.31 -0.77 0.47 -1.55 0.00 0.23 -4.82 121.76 114.02 1u8f s ALA 209 Ca 0.57 0.53 -0.16 0.00 0.00 0.00 0.00 51.96 52.91 1u8f s ALA 209 Cb -0.36 -0.16 -0.08 0.00 0.00 0.00 0.00 23.12 22.52 1u8f s ALA 209 CO 0.45 -0.21 0.93 -1.12 0.00 0.00 0.00 175.76 175.81 1u8f s SER 210 N -0.73 6.66 -0.23 0.00 0.01 -1.26 -0.83 113.70 117.31 1u8f s SER 210 Ca -0.08 1.49 -0.17 0.00 1.31 0.00 0.00 55.95 58.50 1u8f s SER 210 Cb -0.04 -2.47 0.07 0.00 0.21 0.00 0.00 66.02 63.78 1u8f s SER 210 CO 0.03 -0.50 0.59 0.28 0.41 0.00 0.00 173.24 174.05 1u8f s THR 211 N -2.48 -0.01 -1.89 1.44 -1.32 -1.26 -4.79 115.64 105.33 1u8f s THR 211 Ca 0.58 0.02 0.17 0.00 -1.21 0.00 0.00 61.69 61.24 1u8f s THR 211 Cb -0.10 -0.84 0.50 0.00 -1.51 0.00 0.00 72.50 70.55 1u8f s THR 211 CO 0.28 0.01 1.42 0.61 -2.21 0.00 0.00 174.62 174.72 1u8f n GLY 212 N 3.60 1.70 0.37 6.08 0.00 -1.26 -4.48 105.19 111.19 1u8f n GLY 212 Ca -0.18 -0.61 0.04 0.00 0.00 0.00 0.00 46.02 45.27 1u8f n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u8f h ALA 213 N 3.99 1.52 -0.05 4.61 0.00 -1.95 0.62 119.26 128.01 1u8f h ALA 213 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1u8f h ALA 213 Cb 0.81 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1u8f h ALA 213 CO 0.03 0.33 -0.50 0.00 0.00 0.00 0.00 179.25 179.11 1u8f h ALA 214 N 1.51 0.13 -0.33 0.00 0.00 -1.89 -3.17 119.26 115.51 1u8f h ALA 214 Ca 0.40 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1u8f h ALA 214 Cb 0.23 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1u8f h ALA 214 CO -0.16 0.32 0.01 -0.22 0.00 0.00 0.00 179.25 179.20 1u8f h LYS 215 N -0.05 0.50 0.00 0.00 3.64 -1.58 -2.13 116.57 116.94 1u8f h LYS 215 Ca -0.05 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1u8f h LYS 215 Cb 1.18 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1u8f h LYS 215 CO 0.10 0.53 0.00 0.00 -2.27 0.00 0.00 179.45 177.81 1u8f h ALA 216 N 1.53 1.00 -0.16 5.00 0.00 -0.85 -1.56 119.26 124.22 1u8f h ALA 216 Ca 0.11 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1u8f h ALA 216 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1u8f h ALA 216 CO 0.01 0.00 0.12 0.28 0.00 0.00 0.00 179.25 179.66 1u8f h VAL 217 N 0.00 0.83 0.00 0.00 2.07 -1.39 -0.09 116.25 117.67 1u8f h VAL 217 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1u8f h VAL 217 Cb 0.06 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1u8f h VAL 217 CO 0.00 0.00 -0.12 1.23 0.02 0.00 0.00 177.57 178.70 1u8f h GLY 218 N 0.00 0.00 1.31 2.17 0.00 -1.46 0.18 103.07 105.27 1u8f h GLY 218 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 1u8f h GLY 218 CO -0.00 0.00 0.16 0.50 0.00 0.00 0.00 176.54 177.20 1u8f h LYS 219 N 0.00 0.87 0.00 4.80 1.79 -1.20 -2.50 116.57 120.33 1u8f h LYS 219 Ca -0.00 -0.17 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 1u8f h LYS 219 Cb 0.25 -0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1u8f h LYS 219 CO 0.02 0.76 -1.43 1.33 -1.08 0.00 0.00 179.45 179.05 1u8f n VAL 220 N -4.28 0.03 -3.49 0.50 0.24 -0.83 -4.60 118.33 105.90 1u8f n VAL 220 Ca 0.04 -0.25 -0.27 0.00 -2.04 0.00 0.00 64.34 61.82 1u8f n VAL 220 Cb 0.21 0.46 -0.10 0.00 -1.47 0.00 0.00 33.84 32.94 1u8f n VAL 220 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 1u8f n ILE 221 N -1.89 -0.54 -0.35 1.34 5.41 0.56 -4.57 119.36 119.32 1u8f n ILE 221 Ca 0.00 -3.79 0.30 0.00 1.00 0.00 0.00 62.75 60.27 1u8f n ILE 221 Cb 0.45 -1.79 0.64 0.00 -0.71 0.00 0.00 39.64 38.23 1u8f n ILE 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1u8f h PRO 222 N 5.47 0.18 0.00 0.38 0.11 -1.69 0.10 132.00 136.54 1u8f h PRO 222 Ca 0.23 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1u8f h PRO 222 Cb 0.87 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1u8f h PRO 222 CO 0.46 0.12 0.00 0.93 -0.21 0.00 0.00 178.00 179.29 1u8f h GLU 223 N 0.18 0.00 -0.71 1.05 5.08 -1.95 -1.59 114.58 116.64 1u8f h GLU 223 Ca 0.62 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.98 1u8f h GLU 223 Cb 2.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.26 1u8f h GLU 223 CO -0.18 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.11 1u8f n LEU 224 N -2.39 4.16 -4.75 1.33 4.77 0.35 -4.92 117.00 115.55 1u8f n LEU 224 Ca -0.00 -2.11 -0.41 0.00 -0.03 0.00 0.00 56.01 53.45 1u8f n LEU 224 Cb 0.13 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 40.69 1u8f n LEU 224 CO 0.16 0.94 1.19 0.20 -1.33 0.00 0.00 177.39 178.55 1u8f s ASN 225 N -0.98 6.48 0.00 -1.43 0.01 -0.60 -1.80 114.94 116.62 1u8f s ASN 225 Ca 0.49 2.85 0.00 0.00 -0.71 0.00 0.00 52.86 55.49 1u8f s ASN 225 Cb 0.27 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 39.30 1u8f s ASN 225 CO 0.31 -0.83 0.00 0.61 -1.51 0.00 0.00 177.10 175.68 1u8f n GLY 226 N 2.16 0.65 0.40 0.66 0.00 -1.26 -4.84 105.19 102.95 1u8f n GLY 226 Ca 0.08 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.14 1u8f n GLY 226 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u8f n LYS 227 N -1.97 0.47 -3.89 1.61 5.02 -0.74 -5.02 118.16 113.63 1u8f n LYS 227 Ca 0.00 -1.12 -0.11 0.00 -2.02 0.00 0.00 58.31 55.06 1u8f n LYS 227 Cb 0.03 -1.19 -0.11 0.00 -0.02 0.00 0.00 35.03 33.74 1u8f n LYS 227 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1u8f s LEU 228 N -0.82 1.72 0.00 -0.35 1.43 -1.25 -0.53 118.68 118.89 1u8f s LEU 228 Ca 0.12 -0.18 -0.20 0.00 -1.03 0.00 0.00 54.13 52.84 1u8f s LEU 228 Cb 0.08 0.47 0.07 0.00 0.03 0.00 0.00 46.19 46.84 1u8f s LEU 228 CO 0.12 -0.28 0.93 1.07 0.23 0.00 0.00 176.35 178.43 1u8f n THR 229 N 1.84 0.00 -3.49 5.49 5.66 -1.14 -3.70 114.28 118.94 1u8f n THR 229 Ca -0.21 -0.35 0.00 0.00 -3.05 0.00 0.00 64.05 60.44 1u8f n THR 229 Cb 0.56 0.59 0.00 0.00 -1.55 0.00 0.00 70.33 69.93 1u8f n THR 229 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1u8f n GLY 230 N -0.66 -0.68 2.92 1.09 0.00 -1.26 -0.70 105.19 105.90 1u8f n GLY 230 Ca 0.00 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 1u8f n GLY 230 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1u8f n MET 231 N 0.00 0.75 -4.21 1.61 0.00 -0.25 -4.45 117.12 110.57 1u8f n MET 231 Ca 0.00 -2.08 -0.12 0.00 0.00 0.00 0.00 57.70 55.49 1u8f n MET 231 Cb 0.00 2.25 -0.10 0.00 0.00 0.00 0.00 33.22 35.37 1u8f n MET 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1u8f s ALA 232 N -2.25 1.18 -0.10 3.17 0.00 -0.01 -1.82 121.76 121.94 1u8f s ALA 232 Ca 0.19 -1.51 -0.01 0.00 0.00 0.00 0.00 51.96 50.63 1u8f s ALA 232 Cb -0.02 0.48 0.03 0.00 0.00 0.00 0.00 23.12 23.61 1u8f s ALA 232 CO 0.14 -0.32 -0.05 -0.06 0.00 0.00 0.00 175.76 175.46 1u8f s PHE 233 N -3.70 1.22 -0.07 0.00 0.08 -0.22 -0.60 117.98 114.69 1u8f s PHE 233 Ca 0.21 -0.55 -0.21 0.00 0.12 0.00 0.00 56.93 56.49 1u8f s PHE 233 Cb 0.06 -1.09 -0.04 0.00 -0.57 0.00 0.00 43.02 41.38 1u8f s PHE 233 CO 0.01 -0.45 0.60 1.03 -0.10 0.00 0.00 175.22 176.32 1u8f s ARG 234 N 1.74 4.37 0.19 0.44 1.81 0.57 -0.66 118.95 127.41 1u8f s ARG 234 Ca 0.04 0.70 0.08 0.00 -1.72 0.00 0.00 55.73 54.84 1u8f s ARG 234 Cb -0.13 -3.42 -0.04 0.00 -0.45 0.00 0.00 34.95 30.91 1u8f s ARG 234 CO -0.07 0.17 -0.16 0.14 -0.68 0.00 0.00 175.30 174.70 1u8f s VAL 235 N 0.48 1.80 -0.30 3.52 -7.23 -0.35 -0.64 120.40 117.68 1u8f s VAL 235 Ca 0.32 -2.09 -0.02 0.00 -1.81 0.00 0.00 61.98 58.38 1u8f s VAL 235 Cb -0.17 -1.96 -0.02 0.00 0.56 0.00 0.00 36.38 34.79 1u8f s VAL 235 CO 0.15 -0.47 1.36 -2.65 -0.31 0.00 0.00 175.10 173.18 1u8f n PRO 236 N -0.11 0.68 -4.27 4.82 -0.02 -1.26 -3.34 135.00 131.51 1u8f n PRO 236 Ca -0.10 -0.80 -0.18 0.00 -2.02 0.00 0.00 63.50 60.40 1u8f n PRO 236 Cb 0.59 -2.13 -0.13 0.00 -0.02 0.00 0.00 33.50 31.80 1u8f n PRO 236 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1u8f s THR 237 N 4.43 0.83 -0.16 3.45 -4.23 -1.26 -5.01 115.64 113.67 1u8f s THR 237 Ca 0.13 -0.81 0.24 0.00 -1.18 0.00 0.00 61.69 60.07 1u8f s THR 237 Cb 0.03 -0.76 0.28 0.00 1.34 0.00 0.00 72.50 73.40 1u8f s THR 237 CO -0.01 -0.03 1.70 0.00 -0.54 0.00 0.00 174.62 175.74 1u8f h ALA 238 N 5.15 0.95 -2.02 3.99 0.00 -1.88 -0.52 119.26 124.93 1u8f h ALA 238 Ca -0.35 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 54.56 1u8f h ALA 238 Cb 1.19 -0.02 -0.18 0.00 0.00 0.00 0.00 17.79 18.78 1u8f h ALA 238 CO 0.45 0.16 0.53 1.21 0.00 0.00 0.00 179.25 181.61 1u8f s ASN 239 N -6.13 -0.35 0.00 0.00 2.47 -1.26 -4.62 114.94 105.05 1u8f s ASN 239 Ca 0.04 0.11 0.00 0.00 0.42 0.00 0.00 52.86 53.43 1u8f s ASN 239 Cb 0.07 0.34 0.00 0.00 -1.45 0.00 0.00 41.25 40.21 1u8f s ASN 239 CO 0.65 -0.51 0.00 0.52 -3.72 0.00 0.00 177.10 174.04 1u8f n VAL 240 N 0.03 -0.98 -4.56 -5.21 0.31 -1.26 -4.87 118.33 101.78 1u8f n VAL 240 Ca -0.08 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 63.98 1u8f n VAL 240 Cb 0.60 -0.98 -0.08 0.00 -0.91 0.00 0.00 33.84 32.47 1u8f n VAL 240 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1u8f s SER 241 N -0.36 3.06 -0.09 4.52 0.01 0.55 -3.85 113.70 117.54 1u8f s SER 241 Ca 0.00 -1.66 -0.08 0.00 1.31 0.00 0.00 55.95 55.51 1u8f s SER 241 Cb 0.00 0.49 0.02 0.00 0.21 0.00 0.00 66.02 66.74 1u8f s SER 241 CO 0.00 -0.91 0.24 0.54 0.41 0.00 0.00 173.24 173.52 1u8f s VAL 242 N -3.14 -0.00 -0.10 3.43 0.11 -0.23 -1.46 120.40 119.01 1u8f s VAL 242 Ca 0.21 0.01 -0.10 0.00 -2.93 0.00 0.00 61.98 59.16 1u8f s VAL 242 Cb 0.03 -0.34 -0.05 0.00 -1.53 0.00 0.00 36.38 34.49 1u8f s VAL 242 CO 0.12 0.00 0.22 -0.69 -3.33 0.00 0.00 175.10 171.42 1u8f s VAL 243 N 0.17 5.36 -0.36 2.04 1.01 0.86 -1.16 120.40 128.32 1u8f s VAL 243 Ca -0.00 0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.39 1u8f s VAL 243 Cb -0.02 -3.50 0.11 0.00 0.00 0.00 0.00 36.38 32.97 1u8f s VAL 243 CO 0.00 0.58 0.11 -0.62 0.00 0.00 0.00 175.10 175.17 1u8f s ASP 244 N -0.81 4.28 -0.32 3.32 3.68 0.89 -1.61 116.67 126.10 1u8f s ASP 244 Ca 0.17 -2.09 -0.12 0.00 2.13 0.00 0.00 52.55 52.64 1u8f s ASP 244 Cb -0.13 -1.24 -0.03 0.00 -1.45 0.00 0.00 42.92 40.07 1u8f s ASP 244 CO 0.06 -0.37 0.22 -0.22 0.13 0.00 0.00 175.17 174.99 1u8f s LEU 245 N 1.01 4.33 -0.32 -1.34 2.96 0.29 -1.20 118.68 124.40 1u8f s LEU 245 Ca 0.12 -0.29 -0.10 0.00 -0.22 0.00 0.00 54.13 53.64 1u8f s LEU 245 Cb -0.20 -2.12 0.00 0.00 0.50 0.00 0.00 46.19 44.37 1u8f s LEU 245 CO -0.13 -0.17 0.16 -0.89 -1.32 0.00 0.00 176.35 174.00 1u8f s THR 246 N 1.73 4.57 0.06 3.68 2.01 -0.25 -0.00 115.64 127.44 1u8f s THR 246 Ca 0.06 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 61.54 1u8f s THR 246 Cb -0.17 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 1u8f s THR 246 CO 0.10 0.00 -0.05 0.00 -0.69 0.00 0.00 174.62 173.99 1u8f s ARG 248 N -3.58 3.57 0.09 0.00 3.52 -0.31 -1.92 118.95 120.32 1u8f s ARG 248 Ca 0.06 -0.45 -0.01 0.00 -0.13 0.00 0.00 55.73 55.21 1u8f s ARG 248 Cb 0.05 -2.95 -0.04 0.00 -1.56 0.00 0.00 34.95 30.44 1u8f s ARG 248 CO -0.07 0.37 0.26 -0.51 -0.81 0.00 0.00 175.30 174.54 1u8f s LEU 249 N 0.04 4.33 -0.01 -0.88 1.43 0.44 -0.71 118.68 123.31 1u8f s LEU 249 Ca 0.02 0.33 -0.20 0.00 -1.03 0.00 0.00 54.13 53.25 1u8f s LEU 249 Cb -0.13 -3.03 -0.29 0.00 0.03 0.00 0.00 46.19 42.77 1u8f s LEU 249 CO 0.02 0.12 1.00 -0.33 0.23 0.00 0.00 176.35 177.39 1u8f h GLU 250 N 2.85 0.40 -4.69 1.70 5.08 -0.18 -3.42 114.58 116.32 1u8f h GLU 250 Ca -0.46 -0.57 -0.69 0.00 -1.00 0.00 0.00 59.36 56.64 1u8f h GLU 250 Cb 1.17 0.19 -0.28 0.00 0.50 0.00 0.00 28.75 30.33 1u8f h GLU 250 CO 0.74 1.24 -0.61 0.15 -1.00 0.00 0.00 179.01 179.53 1u8f s LYS 251 N -2.76 2.66 0.34 2.33 1.02 0.21 -5.04 119.74 118.50 1u8f s LYS 251 Ca -0.13 -1.15 -0.27 0.00 0.02 0.00 0.00 55.97 54.44 1u8f s LYS 251 Cb 0.03 -3.45 -0.13 0.00 -0.52 0.00 0.00 37.83 33.76 1u8f s LYS 251 CO 0.85 -0.64 1.08 -2.30 -0.92 0.00 0.00 175.35 173.42 1u8f n PRO 252 N 4.81 1.56 -3.79 -1.68 -0.02 -1.26 -4.78 135.00 129.84 1u8f n PRO 252 Ca -0.13 0.55 -0.13 0.00 -2.02 0.00 0.00 63.50 61.78 1u8f n PRO 252 Cb 0.45 -2.02 -0.12 0.00 -0.02 0.00 0.00 33.50 31.79 1u8f n PRO 252 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u8f s ALA 253 N -1.12 -0.50 0.63 3.55 0.00 0.62 -4.98 121.76 119.95 1u8f s ALA 253 Ca 0.59 0.64 -0.16 0.00 0.00 0.00 0.00 51.96 53.02 1u8f s ALA 253 Cb -0.63 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.10 1u8f s ALA 253 CO 0.60 -0.11 1.12 0.15 0.00 0.00 0.00 175.76 177.52 1u8f s LYS 254 N 0.31 2.93 0.27 0.00 -0.14 -1.26 -4.54 119.74 117.31 1u8f s LYS 254 Ca -0.02 1.47 -0.02 0.00 -1.36 0.00 0.00 55.97 56.04 1u8f s LYS 254 Cb -0.03 -1.96 0.42 0.00 -1.68 0.00 0.00 37.83 34.58 1u8f s LYS 254 CO -0.01 -1.16 1.89 -0.92 -0.76 0.00 0.00 175.35 174.39 1u8f h TYR 255 N 0.35 1.19 -0.10 3.18 3.20 -1.95 -0.75 116.97 122.09 1u8f h TYR 255 Ca -0.48 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.41 1u8f h TYR 255 Cb 1.25 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 39.13 1u8f h TYR 255 CO 0.53 0.63 0.01 -0.44 -1.64 0.00 0.00 178.16 177.25 1u8f h ASP 256 N 1.17 0.13 0.31 -2.11 3.32 -1.99 -0.11 116.42 117.13 1u8f h ASP 256 Ca 0.42 -0.01 -0.19 0.00 0.02 0.00 0.00 57.03 57.27 1u8f h ASP 256 Cb 0.15 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 1u8f h ASP 256 CO -0.16 0.14 -0.78 0.44 -1.72 0.00 0.00 179.24 177.17 1u8f h ASP 257 N 0.14 0.46 -0.30 6.45 3.32 -1.51 -1.10 116.42 123.87 1u8f h ASP 257 Ca 0.04 -0.32 -0.03 0.00 0.02 0.00 0.00 57.03 56.74 1u8f h ASP 257 Cb 0.08 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 1u8f h ASP 257 CO -0.00 1.07 0.09 0.40 -1.72 0.00 0.00 179.24 179.08 1u8f h ILE 258 N 0.25 1.21 -0.71 0.35 2.04 -0.64 -2.06 117.51 117.95 1u8f h ILE 258 Ca -0.04 -0.68 0.04 0.00 1.00 0.00 0.00 64.86 65.18 1u8f h ILE 258 Cb 1.36 1.08 -0.05 0.00 -0.74 0.00 0.00 36.82 38.48 1u8f h ILE 258 CO 0.13 0.23 0.43 0.11 0.00 0.00 0.00 178.15 179.05 1u8f h LYS 259 N 0.33 0.80 -0.14 2.37 1.57 -0.95 -2.03 116.57 118.53 1u8f h LYS 259 Ca 0.10 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1u8f h LYS 259 Cb 0.27 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1u8f h LYS 259 CO -0.00 0.53 0.10 0.87 -0.57 0.00 0.00 179.45 180.38 1u8f h LYS 260 N 0.83 0.19 -0.24 3.15 1.57 -0.88 -0.68 116.57 120.50 1u8f h LYS 260 Ca 0.30 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.97 1u8f h LYS 260 Cb 0.08 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1u8f h LYS 260 CO -0.14 0.13 -0.29 -0.39 -0.57 0.00 0.00 179.45 178.19 1u8f h VAL 261 N 0.19 1.27 -0.24 0.50 -1.51 -1.19 -1.00 116.25 114.28 1u8f h VAL 261 Ca 0.05 -1.34 -0.11 0.00 -1.23 0.00 0.00 66.70 64.07 1u8f h VAL 261 Cb -0.02 1.41 -0.00 0.00 -2.13 0.00 0.00 31.29 30.54 1u8f h VAL 261 CO -0.01 0.42 -0.28 0.58 -1.23 0.00 0.00 177.57 177.05 1u8f h VAL 262 N 0.42 1.32 -0.55 7.19 2.07 -1.22 -1.39 116.25 124.08 1u8f h VAL 262 Ca 0.06 -1.46 -0.00 0.00 0.82 0.00 0.00 66.70 66.11 1u8f h VAL 262 Cb 0.72 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 1u8f h VAL 262 CO 0.06 0.46 0.34 0.50 0.02 0.00 0.00 177.57 178.94 1u8f h LYS 263 N 0.31 0.74 -0.60 1.57 3.64 -1.01 -0.26 116.57 120.95 1u8f h LYS 263 Ca 0.03 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.39 1u8f h LYS 263 Cb 0.85 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.47 1u8f h LYS 263 CO 0.07 0.53 0.34 0.37 -2.27 0.00 0.00 179.45 178.48 1u8f h GLN 264 N 0.74 0.63 -0.72 1.90 4.15 -1.09 -2.07 115.11 118.64 1u8f h GLN 264 Ca 0.20 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.52 1u8f h GLN 264 Cb -0.03 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.49 1u8f h GLN 264 CO -0.04 0.42 0.20 0.00 -1.93 0.00 0.00 178.83 177.47 1u8f h ALA 265 N 1.30 0.94 0.00 3.38 0.00 -0.63 -2.06 119.26 122.20 1u8f h ALA 265 Ca 0.26 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1u8f h ALA 265 Cb 0.12 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1u8f h ALA 265 CO -0.15 0.65 -0.12 0.66 0.00 0.00 0.00 179.25 180.30 1u8f h SER 266 N 1.08 0.00 0.34 0.00 4.64 -0.40 -2.07 113.55 117.14 1u8f h SER 266 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1u8f h SER 266 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1u8f h SER 266 CO -0.00 0.12 -0.86 -0.62 -0.87 0.00 0.00 176.83 174.59 1u8f n GLU 267 N -3.87 0.13 0.00 4.77 1.02 -0.90 -3.43 120.64 118.36 1u8f n GLU 267 Ca -0.02 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1u8f n GLU 267 Cb 0.21 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 1u8f n GLU 267 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u8f n GLY 268 N 1.44 0.88 0.35 0.62 0.00 -0.80 -4.78 105.19 102.89 1u8f n GLY 268 Ca 0.04 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.21 1u8f n GLY 268 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u8f h PRO 269 N 0.00 0.05 -0.68 1.61 0.13 -1.86 -2.28 132.00 128.97 1u8f h PRO 269 Ca 0.00 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1u8f h PRO 269 Cb 0.00 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.12 1u8f h PRO 269 CO 0.00 0.04 0.00 1.28 -0.23 0.00 0.00 178.00 179.09 1u8f n LEU 270 N -4.43 4.37 -4.66 1.56 4.77 -1.06 -4.98 117.00 112.57 1u8f n LEU 270 Ca 0.06 -2.20 -0.46 0.00 -0.03 0.00 0.00 56.01 53.38 1u8f n LEU 270 Cb 0.44 -0.54 -0.04 0.00 -2.33 0.00 0.00 43.42 40.95 1u8f n LEU 270 CO 0.36 0.84 1.13 1.17 -1.33 0.00 0.00 177.39 179.56 1u8f n LYS 271 N 1.27 2.05 0.00 3.23 4.81 -0.86 -0.54 118.16 128.11 1u8f n LYS 271 Ca 0.25 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.42 1u8f n LYS 271 Cb 0.78 -2.47 0.00 0.00 0.02 0.00 0.00 35.03 33.36 1u8f n LYS 271 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1u8f n GLY 272 N 3.03 2.83 0.42 3.14 0.00 -1.26 -4.76 105.19 108.58 1u8f n GLY 272 Ca 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 1u8f n GLY 272 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1u8f n ILE 273 N -2.00 1.25 -3.73 -0.61 5.41 0.20 -4.26 119.36 115.62 1u8f n ILE 273 Ca 0.00 0.02 -0.38 0.00 1.00 0.00 0.00 62.75 63.40 1u8f n ILE 273 Cb 0.00 -1.95 -0.12 0.00 -0.71 0.00 0.00 39.64 36.85 1u8f n ILE 273 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1u8f s LEU 274 N -7.36 3.85 0.47 1.39 2.96 0.30 -0.50 118.68 119.79 1u8f s LEU 274 Ca -0.22 -0.55 0.06 0.00 -0.22 0.00 0.00 54.13 53.20 1u8f s LEU 274 Cb 0.06 -1.93 0.02 0.00 0.50 0.00 0.00 46.19 44.84 1u8f s LEU 274 CO 0.30 -0.16 0.65 -0.83 -1.32 0.00 0.00 176.35 174.99 1u8f s GLY 275 N 1.56 1.90 -0.09 7.98 0.00 0.33 -4.21 107.32 114.79 1u8f s GLY 275 Ca 0.04 -1.58 -0.06 0.00 0.00 0.00 0.00 44.72 43.12 1u8f s GLY 275 CO 0.04 -1.36 0.21 -0.47 0.00 0.00 0.00 173.10 171.52 1u8f s TYR 276 N -2.50 -0.25 -0.00 1.90 5.04 -1.26 -1.03 117.35 119.24 1u8f s TYR 276 Ca 0.56 0.62 -0.13 0.00 -2.44 0.00 0.00 57.07 55.68 1u8f s TYR 276 Cb -0.10 0.05 0.02 0.00 0.35 0.00 0.00 41.96 42.28 1u8f s TYR 276 CO 0.35 -0.16 0.27 -0.08 -1.34 0.00 0.00 175.55 174.59 1u8f s THR 277 N 0.64 0.07 -0.26 4.34 -1.32 -0.57 -4.93 115.64 113.60 1u8f s THR 277 Ca -0.04 -0.55 0.02 0.00 -1.21 0.00 0.00 61.69 59.91 1u8f s THR 277 Cb -0.06 -0.61 0.01 0.00 -1.51 0.00 0.00 72.50 70.34 1u8f s THR 277 CO -0.04 -0.30 0.54 -0.62 -2.21 0.00 0.00 174.62 172.00 1u8f n GLU 278 N 1.24 -0.35 -1.44 7.08 1.02 -1.26 -1.44 120.64 125.48 1u8f n GLU 278 Ca -0.22 -0.60 -0.31 0.00 -0.02 0.00 0.00 57.16 56.02 1u8f n GLU 278 Cb 0.56 -1.02 0.07 0.00 -0.02 0.00 0.00 31.44 31.03 1u8f n GLU 278 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1u8f s HIS 279 N -0.23 2.77 -1.48 -0.32 3.76 -1.26 -4.66 115.29 113.88 1u8f s HIS 279 Ca 0.02 1.51 -0.12 0.00 -0.15 0.00 0.00 55.06 56.33 1u8f s HIS 279 Cb 0.02 -3.00 0.03 0.00 1.11 0.00 0.00 32.58 30.73 1u8f s HIS 279 CO 0.03 -1.57 2.39 1.04 -0.85 0.00 0.00 174.74 175.78 1u8f n GLN 280 N -3.22 3.26 -2.22 1.40 1.13 -1.26 -4.81 117.38 111.66 1u8f n GLN 280 Ca 0.09 -2.65 -0.29 0.00 -1.94 0.00 0.00 57.00 52.20 1u8f n GLN 280 Cb 0.53 -3.08 0.02 0.00 0.11 0.00 0.00 30.24 27.81 1u8f n GLN 280 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1u8f s VAL 281 N 2.35 4.41 0.27 5.09 -7.23 -1.26 -5.11 120.40 118.92 1u8f s VAL 281 Ca 0.52 0.44 0.02 0.00 -1.81 0.00 0.00 61.98 61.15 1u8f s VAL 281 Cb 0.15 -3.74 -0.05 0.00 0.56 0.00 0.00 36.38 33.30 1u8f s VAL 281 CO -0.07 -0.85 0.09 0.68 -0.31 0.00 0.00 175.10 174.63 1u8f s VAL 282 N -3.03 0.68 0.27 1.32 -7.23 -1.26 -5.05 120.40 106.10 1u8f s VAL 282 Ca 0.53 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.69 1u8f s VAL 282 Cb -0.11 -2.66 0.26 0.00 0.56 0.00 0.00 36.38 34.44 1u8f s VAL 282 CO 0.49 -0.01 1.69 0.77 -0.31 0.00 0.00 175.10 177.73 1u8f h SER 283 N 2.34 0.13 -0.09 4.85 4.64 -1.98 -1.38 113.55 122.06 1u8f h SER 283 Ca -0.39 0.15 0.03 0.00 -0.47 0.00 0.00 61.79 61.11 1u8f h SER 283 Cb 1.25 0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1u8f h SER 283 CO 0.63 -0.03 0.12 0.28 -0.87 0.00 0.00 176.83 176.96 1u8f h SER 284 N 0.32 0.00 0.28 4.97 0.02 -1.97 -0.99 113.55 116.19 1u8f h SER 284 Ca 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 1u8f h SER 284 Cb 0.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1u8f h SER 284 CO -0.53 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 175.63 1u8f n ASP 285 N -3.71 0.00 -0.50 3.07 8.00 -0.52 -1.73 116.55 121.16 1u8f n ASP 285 Ca -0.01 0.23 0.05 0.00 0.71 0.00 0.00 54.79 55.77 1u8f n ASP 285 Cb 0.22 -0.35 0.11 0.00 -0.02 0.00 0.00 41.12 41.08 1u8f n ASP 285 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1u8f n PHE 286 N -1.35 0.31 -1.67 1.24 3.72 -0.37 -4.90 117.46 114.43 1u8f n PHE 286 Ca 0.05 -0.40 -0.43 0.00 -0.05 0.00 0.00 57.45 56.62 1u8f n PHE 286 Cb 0.11 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 38.59 1u8f n PHE 286 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1u8f n ASN 287 N 0.38 4.01 -0.58 4.37 5.03 -0.71 -1.23 115.26 126.54 1u8f n ASN 287 Ca 0.09 0.95 -0.08 0.00 0.87 0.00 0.00 54.58 56.41 1u8f n ASN 287 Cb 0.36 -1.51 -0.03 0.00 -1.02 0.00 0.00 39.78 37.58 1u8f n ASN 287 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1u8f n SER 288 N 6.64 -4.55 -4.70 6.41 7.64 -1.26 -4.99 113.62 118.82 1u8f n SER 288 Ca 0.20 0.19 -0.42 0.00 1.01 0.00 0.00 58.87 59.84 1u8f n SER 288 Cb 0.38 -2.71 -0.03 0.00 -1.01 0.00 0.00 64.21 60.84 1u8f n SER 288 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1u8f s ASP 289 N -2.55 7.20 0.00 6.43 -1.08 -0.36 -4.94 116.67 121.37 1u8f s ASP 289 Ca 0.00 1.69 0.31 0.00 -0.52 0.00 0.00 52.55 54.03 1u8f s ASP 289 Cb 0.00 -2.56 1.86 0.00 -1.46 0.00 0.00 42.92 40.76 1u8f s ASP 289 CO 0.00 -0.44 2.20 0.35 0.52 0.00 0.00 175.17 177.79 1u8f n THR 290 N 4.34 0.00 -1.90 1.71 -2.24 -1.26 -3.76 114.28 111.17 1u8f n THR 290 Ca 0.09 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.54 1u8f n THR 290 Cb 0.48 -0.49 0.03 0.00 -2.10 0.00 0.00 70.33 68.25 1u8f n THR 290 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1u8f s HIS 291 N -2.00 2.73 -0.03 4.78 3.76 -1.26 -4.52 115.29 118.76 1u8f s HIS 291 Ca 0.47 1.54 0.12 0.00 -0.15 0.00 0.00 55.06 57.04 1u8f s HIS 291 Cb 0.21 -3.14 -0.12 0.00 1.11 0.00 0.00 32.58 30.65 1u8f s HIS 291 CO 0.36 -1.51 1.15 0.77 -0.85 0.00 0.00 174.74 174.66 1u8f h SER 292 N 0.28 0.00 -3.31 1.40 0.02 -0.98 -3.39 113.55 107.57 1u8f h SER 292 Ca -0.47 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.47 1u8f h SER 292 Cb 1.24 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.57 1u8f h SER 292 CO 0.55 0.79 0.02 -0.55 -1.14 0.00 0.00 176.83 176.50 1u8f s SER 293 N -6.38 -0.85 -0.22 3.07 0.15 -0.67 -3.66 113.70 105.13 1u8f s SER 293 Ca 0.00 1.43 -0.00 0.00 0.70 0.00 0.00 55.95 58.09 1u8f s SER 293 Cb 0.09 1.35 0.06 0.00 -1.71 0.00 0.00 66.02 65.81 1u8f s SER 293 CO 0.80 -0.24 -0.03 -0.89 1.20 0.00 0.00 173.24 174.08 1u8f s THR 294 N 1.25 1.29 0.13 6.45 2.01 -0.17 0.12 115.64 126.71 1u8f s THR 294 Ca -0.07 -1.06 -0.31 0.00 0.31 0.00 0.00 61.69 60.56 1u8f s THR 294 Cb -0.05 -1.61 -0.10 0.00 0.01 0.00 0.00 72.50 70.75 1u8f s THR 294 CO -0.13 -0.12 1.65 0.12 -0.69 0.00 0.00 174.62 175.44 1u8f s PHE 295 N 1.51 2.70 -0.60 4.92 5.36 -0.20 -0.86 117.98 130.82 1u8f s PHE 295 Ca -0.05 0.41 -0.13 0.00 -0.96 0.00 0.00 56.93 56.20 1u8f s PHE 295 Cb -0.18 -3.99 0.15 0.00 -0.34 0.00 0.00 43.02 38.66 1u8f s PHE 295 CO -0.07 -3.84 0.52 0.34 -1.46 0.00 0.00 175.22 170.71 1u8f s ASP 296 N 1.80 6.14 0.15 6.13 -1.08 0.03 -1.51 116.67 128.32 1u8f s ASP 296 Ca 0.73 -2.11 -0.17 0.00 -0.52 0.00 0.00 52.55 50.49 1u8f s ASP 296 Cb -0.43 -2.14 0.03 0.00 -1.46 0.00 0.00 42.92 38.92 1u8f s ASP 296 CO 0.32 -0.72 1.76 0.00 0.52 0.00 0.00 175.17 177.05 1u8f h ALA 297 N 8.39 0.39 0.00 3.66 0.00 -1.54 -3.03 119.26 127.13 1u8f h ALA 297 Ca -0.16 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1u8f h ALA 297 Cb 1.07 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1u8f h ALA 297 CO 0.90 -0.26 -0.07 0.78 0.00 0.00 0.00 179.25 180.61 1u8f h GLY 298 N 0.29 0.00 1.76 0.00 0.00 -1.83 -3.26 103.07 100.02 1u8f h GLY 298 Ca 0.14 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.30 1u8f h GLY 298 CO -0.13 0.00 -0.93 0.00 0.00 0.00 0.00 176.54 175.49 1u8f h ALA 299 N 1.93 0.56 -2.38 3.60 0.00 -1.91 -3.47 119.26 117.60 1u8f h ALA 299 Ca -0.00 -0.77 -0.48 0.00 0.00 0.00 0.00 54.91 53.66 1u8f h ALA 299 Cb 0.64 -0.00 0.13 0.00 0.00 0.00 0.00 17.79 18.56 1u8f h ALA 299 CO 0.01 0.98 0.29 0.20 0.00 0.00 0.00 179.25 180.73 1u8f s GLY 300 N -4.66 1.62 -0.17 0.00 0.00 -1.21 -4.89 107.32 98.00 1u8f s GLY 300 Ca 0.01 -0.17 -0.16 0.00 0.00 0.00 0.00 44.72 44.40 1u8f s GLY 300 CO 0.79 0.30 0.46 -1.50 0.00 0.00 0.00 173.10 173.15 1u8f s ILE 301 N -3.06 -0.00 -0.07 0.90 2.07 -0.65 -5.02 121.20 115.37 1u8f s ILE 301 Ca 0.62 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.88 1u8f s ILE 301 Cb -0.16 -0.64 -0.02 0.00 0.13 0.00 0.00 42.46 41.76 1u8f s ILE 301 CO 0.55 0.00 -0.12 0.00 -1.91 0.00 0.00 174.94 173.47 1u8f s ALA 302 N 0.26 2.75 0.01 1.50 0.00 -1.26 -0.71 121.76 124.30 1u8f s ALA 302 Ca -0.00 -0.93 -0.10 0.00 0.00 0.00 0.00 51.96 50.92 1u8f s ALA 302 Cb -0.03 -1.10 -0.32 0.00 0.00 0.00 0.00 23.12 21.67 1u8f s ALA 302 CO 0.00 0.49 0.90 1.25 0.00 0.00 0.00 175.76 178.40 1u8f h LEU 303 N 5.60 0.64 0.00 0.00 5.85 -1.62 -3.49 115.31 122.30 1u8f h LEU 303 Ca -0.43 -0.79 -0.03 0.00 0.84 0.00 0.00 57.88 57.47 1u8f h LEU 303 Cb 1.17 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.99 1u8f h LEU 303 CO 0.52 1.64 0.17 -0.46 -0.34 0.00 0.00 178.44 179.97 1u8f n ASN 304 N -3.61 -1.56 0.07 1.25 0.23 -1.18 -5.02 115.26 105.45 1u8f n ASN 304 Ca -0.18 -2.13 0.07 0.00 -0.53 0.00 0.00 54.58 51.82 1u8f n ASN 304 Cb 1.08 2.62 0.34 0.00 -2.08 0.00 0.00 39.78 41.73 1u8f n ASN 304 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1u8f n ASP 305 N -1.40 0.30 -0.02 0.53 8.00 -1.26 -2.98 116.55 119.72 1u8f n ASP 305 Ca -0.06 0.60 0.00 0.00 0.71 0.00 0.00 54.79 56.05 1u8f n ASP 305 Cb 0.41 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 1u8f n ASP 305 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1u8f n HIS 306 N -1.87 0.00 -3.76 1.24 1.44 -1.26 -0.28 115.22 110.74 1u8f n HIS 306 Ca 0.01 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.44 1u8f n HIS 306 Cb 0.11 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.06 1u8f n HIS 306 CO 0.00 0.00 0.00 0.12 -2.81 0.00 0.00 176.34 173.65 1u8f s PHE 307 N -0.27 1.24 0.09 -1.40 5.36 -1.16 -0.42 117.98 121.41 1u8f s PHE 307 Ca 0.01 -1.04 0.01 0.00 -0.96 0.00 0.00 56.93 54.95 1u8f s PHE 307 Cb 0.00 -1.14 -0.04 0.00 -0.34 0.00 0.00 43.02 41.50 1u8f s PHE 307 CO 0.01 -0.65 -0.04 0.14 -1.46 0.00 0.00 175.22 173.21 1u8f s VAL 308 N 1.79 0.51 -0.22 3.12 -7.23 -0.81 -1.39 120.40 116.17 1u8f s VAL 308 Ca -0.01 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.27 1u8f s VAL 308 Cb -0.17 -1.67 0.03 0.00 0.56 0.00 0.00 36.38 35.12 1u8f s VAL 308 CO -0.09 -0.87 -0.12 -0.75 -0.31 0.00 0.00 175.10 172.95 1u8f s LYS 309 N -3.88 2.80 -0.11 4.82 2.20 0.11 -1.28 119.74 124.41 1u8f s LYS 309 Ca 0.12 -0.98 -0.02 0.00 -0.36 0.00 0.00 55.97 54.72 1u8f s LYS 309 Cb 0.06 -2.81 -0.03 0.00 -1.51 0.00 0.00 37.83 33.54 1u8f s LYS 309 CO -0.06 -0.35 -0.02 -0.51 -0.36 0.00 0.00 175.35 174.05 1u8f s LEU 310 N 1.27 3.39 -0.13 5.43 1.43 0.99 -1.63 118.68 129.44 1u8f s LEU 310 Ca 0.00 0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 1u8f s LEU 310 Cb -0.16 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 1u8f s LEU 310 CO -0.08 0.29 -0.10 -0.63 0.23 0.00 0.00 176.35 176.07 1u8f s ILE 311 N -0.38 3.35 -0.03 -0.59 -1.09 -1.26 -0.55 121.20 120.64 1u8f s ILE 311 Ca 0.07 -0.56 -0.01 0.00 -2.23 0.00 0.00 60.65 57.91 1u8f s ILE 311 Cb -0.12 -2.42 0.03 0.00 -1.58 0.00 0.00 42.46 38.37 1u8f s ILE 311 CO 0.02 0.52 0.07 -0.55 -1.23 0.00 0.00 174.94 173.78 1u8f s SER 312 N 0.20 -0.01 0.27 3.58 0.15 -0.63 -0.79 113.70 116.47 1u8f s SER 312 Ca -0.06 0.13 -0.06 0.00 0.70 0.00 0.00 55.95 56.66 1u8f s SER 312 Cb -0.15 0.04 -0.06 0.00 -1.71 0.00 0.00 66.02 64.14 1u8f s SER 312 CO 0.04 -0.12 0.54 0.26 1.20 0.00 0.00 173.24 175.17 1u8f s TRP 313 N 0.93 3.46 -0.22 3.44 0.52 -0.04 -0.10 118.94 126.93 1u8f s TRP 313 Ca -0.07 0.69 -0.13 0.00 0.02 0.00 0.00 56.10 56.60 1u8f s TRP 313 Cb -0.10 -2.14 0.07 0.00 -1.15 0.00 0.00 33.47 30.15 1u8f s TRP 313 CO -0.03 0.21 0.54 1.52 0.02 0.00 0.00 176.95 179.21 1u8f s TYR 314 N -2.00 -0.79 -0.70 -1.98 -0.85 -0.53 -1.00 117.35 109.49 1u8f s TYR 314 Ca 0.45 1.66 -0.26 0.00 -0.52 0.00 0.00 57.07 58.39 1u8f s TYR 314 Cb -0.11 0.41 0.04 0.00 0.38 0.00 0.00 41.96 42.67 1u8f s TYR 314 CO 0.28 -0.41 1.21 0.34 -1.52 0.00 0.00 175.55 175.44 1u8f s ASP 315 N 1.32 6.20 0.58 -0.18 -1.08 -1.26 -0.33 116.67 121.93 1u8f s ASP 315 Ca -0.08 -0.46 0.28 0.00 -0.52 0.00 0.00 52.55 51.77 1u8f s ASP 315 Cb -0.06 -2.53 1.62 0.00 -1.46 0.00 0.00 42.92 40.48 1u8f s ASP 315 CO -0.14 -1.71 2.09 -0.55 0.52 0.00 0.00 175.17 175.38 1u8f h ASN 316 N 9.87 0.00 0.00 -0.34 -1.07 -1.90 -1.54 115.58 120.60 1u8f h ASN 316 Ca -0.28 0.00 -0.11 0.00 0.07 0.00 0.00 56.30 55.98 1u8f h ASN 316 Cb 1.05 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.29 1u8f h ASN 316 CO 1.25 0.00 -0.82 -0.33 0.07 0.00 0.00 177.43 177.59 1u8f h GLU 317 N 0.00 0.00 -0.19 4.14 5.08 -1.97 -3.37 114.58 118.26 1u8f h GLU 317 Ca 0.10 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 1u8f h GLU 317 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1u8f h GLU 317 CO -0.00 0.53 -0.41 0.35 -1.00 0.00 0.00 179.01 178.48 1u8f h PHE 318 N -1.00 0.77 0.23 4.33 3.04 -1.86 -2.35 116.94 120.10 1u8f h PHE 318 Ca -0.17 -0.29 -0.01 0.00 3.98 0.00 0.00 57.97 61.48 1u8f h PHE 318 Cb 0.89 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.26 1u8f h PHE 318 CO -0.03 1.05 -0.11 0.78 -2.02 0.00 0.00 178.31 177.97 1u8f h GLY 319 N 0.28 -0.32 0.87 2.40 0.00 -1.37 -2.27 103.07 102.67 1u8f h GLY 319 Ca 0.00 0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.47 1u8f h GLY 319 CO 0.09 -0.11 0.19 -1.82 0.00 0.00 0.00 176.54 174.88 1u8f h TYR 320 N -0.45 0.35 -0.91 5.60 3.20 -1.70 -1.57 116.97 121.49 1u8f h TYR 320 Ca -0.03 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.91 1u8f h TYR 320 Cb 0.34 -0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.44 1u8f h TYR 320 CO -0.02 0.20 0.59 0.77 -1.64 0.00 0.00 178.16 178.06 1u8f h SER 321 N 0.39 0.92 0.31 -2.11 0.02 -1.40 -0.66 113.55 111.01 1u8f h SER 321 Ca 0.14 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.97 1u8f h SER 321 Cb 0.03 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 1u8f h SER 321 CO -0.09 0.60 -0.51 0.78 -1.14 0.00 0.00 176.83 176.47 1u8f h ASN 322 N 1.05 0.25 -0.20 3.07 2.35 -0.91 -2.87 115.58 118.32 1u8f h ASN 322 Ca 0.39 -0.12 -0.10 0.00 -0.55 0.00 0.00 56.30 55.91 1u8f h ASN 322 Cb 0.18 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1u8f h ASN 322 CO -0.14 0.72 -0.21 0.03 -1.65 0.00 0.00 177.43 176.18 1u8f h ARG 323 N 0.18 0.65 -0.64 0.81 2.47 -0.19 -0.58 114.38 117.08 1u8f h ARG 323 Ca 0.01 -0.24 0.00 0.00 -1.26 0.00 0.00 59.98 58.49 1u8f h ARG 323 Cb 0.97 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 29.22 1u8f h ARG 323 CO 0.08 0.81 0.41 0.28 0.56 0.00 0.00 179.97 182.11 1u8f h VAL 324 N 0.57 1.17 -0.39 2.04 2.07 -0.99 0.21 116.25 120.94 1u8f h VAL 324 Ca 0.09 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 1u8f h VAL 324 Cb 0.67 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1u8f h VAL 324 CO 0.05 0.17 0.07 0.58 0.02 0.00 0.00 177.57 178.47 1u8f h VAL 325 N 0.86 1.24 -1.00 2.57 2.07 -1.31 -2.18 116.25 118.51 1u8f h VAL 325 Ca 0.23 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 66.94 1u8f h VAL 325 Cb -0.07 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 1u8f h VAL 325 CO -0.05 0.28 0.66 0.44 0.02 0.00 0.00 177.57 178.93 1u8f h ASP 326 N 0.48 1.14 -0.45 0.57 3.32 -0.50 -1.22 116.42 119.77 1u8f h ASP 326 Ca 0.12 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 1u8f h ASP 326 Cb 0.34 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1u8f h ASP 326 CO 0.01 0.82 0.13 0.25 -1.72 0.00 0.00 179.24 178.72 1u8f h LEU 327 N 1.34 0.67 -0.89 1.55 5.85 -0.41 -1.47 115.31 121.96 1u8f h LEU 327 Ca 0.37 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 1u8f h LEU 327 Cb -0.15 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.68 1u8f h LEU 327 CO -0.08 0.71 0.05 0.24 -0.34 0.00 0.00 178.44 179.02 1u8f h MET 328 N 0.59 0.87 -0.77 1.25 2.86 -0.96 0.26 114.93 119.04 1u8f h MET 328 Ca 0.14 -0.22 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 1u8f h MET 328 Cb 0.29 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 1u8f h MET 328 CO -0.00 0.84 0.31 0.00 1.06 0.00 0.00 176.91 179.12 1u8f h ALA 329 N 1.23 1.08 -0.51 6.32 0.00 -1.01 -0.83 119.26 125.53 1u8f h ALA 329 Ca 0.16 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1u8f h ALA 329 Cb 0.42 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1u8f h ALA 329 CO 0.01 0.65 -0.02 1.25 0.00 0.00 0.00 179.25 181.14 1u8f h HIS 330 N 1.12 1.01 -0.71 0.00 6.17 -0.56 -2.67 115.15 119.52 1u8f h HIS 330 Ca 0.26 -0.18 -0.00 0.00 0.71 0.00 0.00 60.37 61.15 1u8f h HIS 330 Cb 0.21 -0.26 -0.03 0.00 2.52 0.00 0.00 27.41 29.85 1u8f h HIS 330 CO 0.02 0.94 0.43 0.52 0.71 0.00 0.00 177.93 180.55 1u8f h MET 331 N 0.78 0.96 -0.52 5.26 2.86 -0.56 -2.27 114.93 121.44 1u8f h MET 331 Ca 0.14 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 1u8f h MET 331 Cb 0.55 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 1u8f h MET 331 CO 0.03 0.68 0.34 0.00 1.06 0.00 0.00 176.91 179.02 1u8f h ALA 332 N 1.23 1.65 0.00 6.32 0.00 -0.98 -1.40 119.26 126.09 1u8f h ALA 332 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1u8f h ALA 332 Cb -0.04 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1u8f h ALA 332 CO -0.05 0.31 0.00 0.66 0.00 0.00 0.00 179.25 180.18 1u8f h SER 333 N 0.68 0.00 0.16 0.00 4.64 -1.06 -2.94 113.55 115.03 1u8f h SER 333 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1u8f h SER 333 Cb -0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1u8f h SER 333 CO -0.04 0.00 -0.87 0.29 -0.87 0.00 0.00 176.83 175.33 1u8f n LYS 334 N -2.31 0.02 0.00 4.77 4.76 -0.54 -5.12 118.16 119.74 1u8f n LYS 334 Ca 0.02 -0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 1u8f n LYS 334 Cb 0.27 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 1u8f n LYS 334 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42