#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xru s SER -1 N 0.00 6.36 0.25 1.61 0.15 -1.26 -4.92 113.70 115.89 1xru s SER -1 Ca 0.00 2.95 -0.31 0.00 0.70 0.00 0.00 55.95 59.30 1xru s SER -1 Cb 0.00 -2.66 -0.11 0.00 -1.71 0.00 0.00 66.02 61.54 1xru s SER -1 CO 0.00 -0.85 1.56 0.00 1.20 0.00 0.00 173.24 175.15 1xru s ALA 0 N -1.14 3.74 -0.24 5.45 0.00 -1.26 -5.00 121.76 123.31 1xru s ALA 0 Ca 0.53 1.46 0.02 0.00 0.00 0.00 0.00 51.96 53.98 1xru s ALA 0 Cb -0.45 -3.62 0.05 0.00 0.00 0.00 0.00 23.12 19.10 1xru s ALA 0 CO 0.60 -0.87 -0.13 -1.64 0.00 0.00 0.00 175.76 173.72 1xru s MET 1 N 0.04 2.40 -0.59 0.00 -1.94 -1.26 -4.97 119.30 112.99 1xru s MET 1 Ca 0.65 -1.18 -0.27 0.00 -1.71 0.00 0.00 55.69 53.18 1xru s MET 1 Cb -0.45 -2.77 0.03 0.00 2.01 0.00 0.00 34.83 33.65 1xru s MET 1 CO 0.41 -0.47 1.12 0.34 -0.01 0.00 0.00 175.02 176.42 1xru s ASP 2 N 1.17 6.39 -0.23 3.03 3.68 -1.26 -4.94 116.67 124.51 1xru s ASP 2 Ca -0.05 -0.10 -0.12 0.00 2.13 0.00 0.00 52.55 54.42 1xru s ASP 2 Cb -0.18 -2.52 -0.05 0.00 -1.45 0.00 0.00 42.92 38.73 1xru s ASP 2 CO -0.07 -1.44 0.22 -0.69 0.13 0.00 0.00 175.17 173.31 1xru s VAL 3 N 4.72 5.32 -0.14 1.11 1.01 -1.26 -0.56 120.40 130.59 1xru s VAL 3 Ca 0.38 0.31 -0.02 0.00 0.00 0.00 0.00 61.98 62.65 1xru s VAL 3 Cb -0.09 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1xru s VAL 3 CO 0.22 0.33 -0.08 -0.13 0.00 0.00 0.00 175.10 175.45 1xru s ARG 4 N 1.07 3.54 0.79 2.72 1.81 0.11 -4.96 118.95 124.03 1xru s ARG 4 Ca 0.10 -0.59 -0.12 0.00 -1.72 0.00 0.00 55.73 53.41 1xru s ARG 4 Cb -0.14 -2.79 0.07 0.00 -0.45 0.00 0.00 34.95 31.64 1xru s ARG 4 CO 0.05 0.24 1.12 -0.65 -0.68 0.00 0.00 175.30 175.37 1xru s GLN 5 N 0.33 2.11 0.70 3.54 -0.21 -1.26 -1.22 119.66 123.64 1xru s GLN 5 Ca -0.07 0.46 -0.11 0.00 0.02 0.00 0.00 55.36 55.66 1xru s GLN 5 Cb -0.15 -1.94 0.01 0.00 1.00 0.00 0.00 33.01 31.94 1xru s GLN 5 CO 0.04 -1.56 1.08 -1.12 -2.12 0.00 0.00 175.29 171.61 1xru s SER 6 N -4.14 5.46 -0.09 5.90 0.01 -1.26 -4.59 113.70 114.99 1xru s SER 6 Ca 0.61 1.10 -0.10 0.00 1.31 0.00 0.00 55.95 58.86 1xru s SER 6 Cb -0.13 -1.91 0.03 0.00 0.21 0.00 0.00 66.02 64.21 1xru s SER 6 CO 0.53 -1.32 0.28 -0.51 0.41 0.00 0.00 173.24 172.62 1xru s ILE 7 N -3.33 0.01 0.23 1.44 2.07 -1.26 -5.05 121.20 115.30 1xru s ILE 7 Ca 0.58 -0.09 -0.27 0.00 -1.41 0.00 0.00 60.65 59.46 1xru s ILE 7 Cb -0.11 -0.42 -0.09 0.00 0.13 0.00 0.00 42.46 41.97 1xru s ILE 7 CO 0.51 -0.05 0.87 -2.28 -1.91 0.00 0.00 174.94 172.09 1xru s HIS 8 N -0.09 3.89 0.42 3.50 5.65 -1.26 -4.94 115.29 122.45 1xru s HIS 8 Ca -0.02 1.77 0.11 0.00 0.25 0.00 0.00 55.06 57.17 1xru s HIS 8 Cb -0.03 -2.88 0.95 0.00 -1.18 0.00 0.00 32.58 29.45 1xru s HIS 8 CO 0.01 0.43 1.99 0.66 -0.65 0.00 0.00 174.74 177.17 1xru h SER 9 N 3.99 0.44 0.46 9.88 4.64 -1.99 -0.45 113.55 130.51 1xru h SER 9 Ca -0.46 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 60.80 1xru h SER 9 Cb 1.20 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 1xru h SER 9 CO 0.67 0.27 -0.29 0.00 -0.87 0.00 0.00 176.83 176.61 1xru h ALA 10 N 1.69 1.30 0.06 5.18 0.00 -2.00 -2.21 119.26 123.28 1xru h ALA 10 Ca 0.27 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1xru h ALA 10 Cb 0.41 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1xru h ALA 10 CO -0.08 0.36 -0.42 1.25 0.00 0.00 0.00 179.25 180.36 1xru h HIS 11 N 0.00 0.24 -0.68 0.00 -0.00 -1.53 -3.34 115.15 109.83 1xru h HIS 11 Ca -0.00 -0.18 0.06 0.00 -0.00 0.00 0.00 60.37 60.25 1xru h HIS 11 Cb 0.59 -0.01 -0.04 0.00 -0.00 0.00 0.00 27.41 27.95 1xru h HIS 11 CO 0.00 1.16 0.45 0.00 -0.00 0.00 0.00 177.93 179.54 1xru h ALA 12 N 0.02 1.73 0.00 5.26 0.00 -1.08 -1.75 119.26 123.44 1xru h ALA 12 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xru h ALA 12 Cb 1.30 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1xru h ALA 12 CO 0.06 0.16 0.00 0.36 0.00 0.00 0.00 179.25 179.83 1xru n LYS 13 N -4.48 0.08 0.00 0.00 2.85 -0.84 -2.36 118.16 113.41 1xru n LYS 13 Ca 0.10 0.20 0.11 0.00 -1.05 0.00 0.00 58.31 57.66 1xru n LYS 13 Cb 0.22 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 33.07 1xru n LYS 13 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1xru n THR 14 N -1.43 0.00 -2.50 0.58 -2.24 -0.66 -4.97 114.28 103.05 1xru n THR 14 Ca 0.05 -0.17 -0.41 0.00 -2.27 0.00 0.00 64.05 61.26 1xru n THR 14 Cb 0.17 1.16 -0.04 0.00 -2.10 0.00 0.00 70.33 69.51 1xru n THR 14 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xru s LEU 15 N -2.66 4.51 0.00 3.22 1.43 -0.99 -5.05 118.68 119.13 1xru s LEU 15 Ca 0.15 2.15 -0.06 0.00 -1.03 0.00 0.00 54.13 55.34 1xru s LEU 15 Cb 0.17 -3.61 0.10 0.00 0.03 0.00 0.00 46.19 42.89 1xru s LEU 15 CO 0.68 -0.19 0.64 -0.90 0.23 0.00 0.00 176.35 176.81 1xru n ASP 16 N 2.00 0.27 -0.07 2.29 5.68 -1.26 -4.69 116.55 120.76 1xru n ASP 16 Ca 0.01 -1.37 -0.07 0.00 -0.50 0.00 0.00 54.79 52.86 1xru n ASP 16 Cb 0.46 -0.47 -0.01 0.00 -1.14 0.00 0.00 41.12 39.95 1xru n ASP 16 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 1xru h THR 17 N -1.11 0.38 -0.32 2.12 2.02 -1.96 -0.41 112.91 113.63 1xru h THR 17 Ca -0.21 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 66.87 1xru h THR 17 Cb 0.63 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1xru h THR 17 CO 0.17 0.00 -0.20 -0.61 0.37 0.00 0.00 175.52 175.24 1xru h GLN 18 N -0.22 0.60 -0.75 6.66 5.75 -1.99 -2.55 115.11 122.60 1xru h GLN 18 Ca 0.16 -0.22 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 1xru h GLN 18 Cb 0.46 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.93 1xru h GLN 18 CO -0.42 0.77 0.44 0.78 -2.65 0.00 0.00 178.83 177.74 1xru h GLY 19 N 0.99 1.10 1.06 2.39 0.00 -1.68 0.28 103.07 107.22 1xru h GLY 19 Ca 0.08 -0.47 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 1xru h GLY 19 CO 0.05 0.45 0.17 1.41 0.00 0.00 0.00 176.54 178.62 1xru h LEU 20 N 1.03 1.08 -0.35 3.11 3.38 -0.88 -2.36 115.31 120.32 1xru h LEU 20 Ca 0.27 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1xru h LEU 20 Cb -0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1xru h LEU 20 CO -0.05 1.04 0.01 0.03 0.09 0.00 0.00 178.44 179.56 1xru h ARG 21 N 1.07 0.62 -0.81 1.13 3.08 -1.05 -0.85 114.38 117.58 1xru h ARG 21 Ca 0.22 -0.19 0.04 0.00 0.07 0.00 0.00 59.98 60.12 1xru h ARG 21 Cb 0.38 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.33 1xru h ARG 21 CO 0.00 0.73 0.53 -0.91 -1.07 0.00 0.00 179.97 179.25 1xru h ASN 22 N 0.43 0.85 0.00 7.04 2.35 -0.77 -1.59 115.58 123.89 1xru h ASN 22 Ca 0.10 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.78 1xru h ASN 22 Cb 0.44 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1xru h ASN 22 CO 0.02 0.58 -0.34 -0.33 -1.65 0.00 0.00 177.43 175.71 1xru h GLU 23 N 0.99 0.00 0.00 0.81 4.39 -1.28 -3.42 114.58 116.07 1xru h GLU 23 Ca 0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.02 1xru h GLU 23 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1xru h GLU 23 CO -0.10 0.98 -1.55 1.19 -1.16 0.00 0.00 179.01 178.38 1xru n PHE 24 N -4.57 0.00 -3.62 4.33 3.72 -0.34 -4.91 117.46 112.08 1xru n PHE 24 Ca -0.16 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 56.87 1xru n PHE 24 Cb 0.53 -0.29 -0.06 0.00 -0.94 0.00 0.00 39.48 38.71 1xru n PHE 24 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1xru s LEU 25 N -3.85 4.36 -0.44 4.37 2.96 -0.60 -1.18 118.68 124.30 1xru s LEU 25 Ca -0.02 0.65 -0.06 0.00 -0.22 0.00 0.00 54.13 54.48 1xru s LEU 25 Cb 0.13 -2.36 0.12 0.00 0.50 0.00 0.00 46.19 44.58 1xru s LEU 25 CO 0.80 0.26 0.27 -0.69 -1.32 0.00 0.00 176.35 175.67 1xru s VAL 26 N -0.48 3.69 0.17 1.68 1.01 0.04 -4.81 120.40 121.71 1xru s VAL 26 Ca 0.18 -1.97 0.14 0.00 0.00 0.00 0.00 61.98 60.33 1xru s VAL 26 Cb -0.14 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.78 1xru s VAL 26 CO 0.07 -0.73 1.61 -0.33 0.00 0.00 0.00 175.10 175.71 1xru h GLU 27 N 8.19 0.00 -4.19 2.72 5.08 -1.92 -2.14 114.58 122.32 1xru h GLU 27 Ca -0.16 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.62 1xru h GLU 27 Cb 1.06 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 29.92 1xru h GLU 27 CO 0.77 0.56 -0.79 0.15 -1.00 0.00 0.00 179.01 178.70 1xru s LYS 28 N -3.44 1.45 -0.20 2.33 3.01 -1.26 -4.76 119.74 116.87 1xru s LYS 28 Ca 0.00 -0.71 -0.03 0.00 -1.01 0.00 0.00 55.97 54.23 1xru s LYS 28 Cb 0.11 -2.27 -0.11 0.00 -1.01 0.00 0.00 37.83 34.54 1xru s LYS 28 CO 0.74 -0.52 -0.20 0.28 0.51 0.00 0.00 175.35 176.15 1xru n VAL 29 N 4.81 1.12 -3.83 3.17 0.31 -1.26 -4.94 118.33 117.71 1xru n VAL 29 Ca -0.12 -0.38 -0.36 0.00 -0.01 0.00 0.00 64.34 63.48 1xru n VAL 29 Cb 0.46 -1.39 -0.13 0.00 -0.91 0.00 0.00 33.84 31.88 1xru n VAL 29 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1xru s PHE 30 N -2.38 3.07 -0.08 3.52 0.08 -1.26 -2.90 117.98 118.03 1xru s PHE 30 Ca -0.27 -0.46 0.02 0.00 0.12 0.00 0.00 56.93 56.34 1xru s PHE 30 Cb 0.08 -2.20 0.01 0.00 -0.57 0.00 0.00 43.02 40.35 1xru s PHE 30 CO 0.42 -0.34 -0.13 0.08 -0.10 0.00 0.00 175.22 175.15 1xru s VAL 31 N 1.46 1.21 0.14 -0.44 1.01 -1.26 -5.10 120.40 117.42 1xru s VAL 31 Ca 0.05 -0.50 -0.34 0.00 0.00 0.00 0.00 61.98 61.19 1xru s VAL 31 Cb -0.15 -1.11 -0.16 0.00 0.00 0.00 0.00 36.38 34.96 1xru s VAL 31 CO 0.03 0.38 1.27 0.00 0.00 0.00 0.00 175.10 176.77 1xru n ALA 32 N 3.98 -0.61 -2.16 5.51 0.00 -1.26 -1.89 120.51 124.08 1xru n ALA 32 Ca -0.21 0.48 -0.14 0.00 0.00 0.00 0.00 53.44 53.57 1xru n ALA 32 Cb 0.51 -2.08 -0.02 0.00 0.00 0.00 0.00 19.45 17.87 1xru n ALA 32 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xru n ASP 33 N 2.28 -4.04 -3.97 0.00 8.00 -1.26 -4.93 116.55 112.64 1xru n ASP 33 Ca 0.16 0.21 -0.12 0.00 0.71 0.00 0.00 54.79 55.75 1xru n ASP 33 Cb 0.23 -3.50 -0.07 0.00 -0.02 0.00 0.00 41.12 37.76 1xru n ASP 33 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1xru s GLU 34 N -4.54 1.44 0.05 -1.24 0.41 -0.79 -4.95 118.70 109.07 1xru s GLU 34 Ca 0.00 -1.52 0.08 0.00 -0.41 0.00 0.00 54.97 53.12 1xru s GLU 34 Cb 0.00 0.37 -0.03 0.00 -1.78 0.00 0.00 34.13 32.69 1xru s GLU 34 CO 0.00 -0.55 -0.23 1.52 -0.49 0.00 0.00 175.26 175.52 1xru s TYR 35 N -3.94 1.99 0.00 1.61 -0.85 -1.26 -4.48 117.35 110.42 1xru s TYR 35 Ca 0.32 -0.39 0.00 0.00 -0.52 0.00 0.00 57.07 56.48 1xru s TYR 35 Cb 0.03 -1.18 0.00 0.00 0.38 0.00 0.00 41.96 41.19 1xru s TYR 35 CO 0.13 0.11 0.00 0.25 -1.52 0.00 0.00 175.55 174.52 1xru n THR 36 N 1.77 0.00 -3.56 -3.49 -2.24 -0.45 -4.97 114.28 101.34 1xru n THR 36 Ca -0.17 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.63 1xru n THR 36 Cb 0.53 -0.70 -0.06 0.00 -2.10 0.00 0.00 70.33 68.00 1xru n THR 36 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1xru s VAL 38 N 0.59 -0.02 -0.22 2.28 1.01 0.07 -3.63 120.40 120.48 1xru s VAL 38 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.92 1xru s VAL 38 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 1xru s VAL 38 CO 0.00 0.00 0.02 -0.47 0.00 0.00 0.00 175.10 174.65 1xru s TYR 39 N 1.25 3.06 -0.17 5.22 5.04 0.27 -1.10 117.35 130.93 1xru s TYR 39 Ca -0.06 -0.47 -0.03 0.00 -2.44 0.00 0.00 57.07 54.07 1xru s TYR 39 Cb -0.02 -2.14 -0.02 0.00 0.35 0.00 0.00 41.96 40.13 1xru s TYR 39 CO -0.11 -0.29 -0.06 0.45 -1.34 0.00 0.00 175.55 174.19 1xru s SER 40 N 1.23 4.43 0.00 4.32 0.15 -0.64 0.09 113.70 123.29 1xru s SER 40 Ca 0.04 -0.26 0.15 0.00 0.70 0.00 0.00 55.95 56.58 1xru s SER 40 Cb -0.15 -1.72 0.88 0.00 -1.71 0.00 0.00 66.02 63.32 1xru s SER 40 CO 0.02 0.11 1.33 1.41 1.20 0.00 0.00 173.24 177.31 1xru n HIS 41 N 3.90 0.00 -2.83 3.44 8.25 -0.35 -1.72 115.22 125.90 1xru n HIS 41 Ca -0.18 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.85 1xru n HIS 41 Cb 0.52 -0.04 -0.03 0.00 1.12 0.00 0.00 29.99 31.56 1xru n HIS 41 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1xru s ILE 42 N -2.08 4.38 0.00 1.59 1.01 -1.26 -3.87 121.20 120.96 1xru s ILE 42 Ca 0.21 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 60.09 1xru s ILE 42 Cb 0.10 -4.77 0.00 0.00 0.01 0.00 0.00 42.46 37.80 1xru s ILE 42 CO 0.18 -1.56 0.00 0.47 0.00 0.00 0.00 174.94 174.04 1xru n ASP 43 N 7.55 -3.79 -3.87 3.58 8.00 -1.26 -3.70 116.55 123.06 1xru n ASP 43 Ca 0.10 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.30 1xru n ASP 43 Cb 0.47 -1.67 0.02 0.00 -0.02 0.00 0.00 41.12 39.93 1xru n ASP 43 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1xru n ARG 44 N -1.41 -5.34 -2.97 -1.24 1.74 -0.70 -4.72 116.66 102.01 1xru n ARG 44 Ca 0.00 0.59 -0.36 0.00 -0.77 0.00 0.00 57.85 57.31 1xru n ARG 44 Cb 0.19 -5.48 -0.06 0.00 -1.02 0.00 0.00 32.46 26.09 1xru n ARG 44 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 1xru s ILE 45 N -3.27 4.43 -0.11 0.55 2.07 -1.11 -4.51 121.20 119.25 1xru s ILE 45 Ca 0.65 1.48 0.03 0.00 -1.41 0.00 0.00 60.65 61.41 1xru s ILE 45 Cb -0.33 -3.90 -0.00 0.00 0.13 0.00 0.00 42.46 38.36 1xru s ILE 45 CO 0.80 0.15 -0.21 -0.63 -1.91 0.00 0.00 174.94 173.14 1xru s ILE 46 N -1.59 2.30 0.09 2.00 1.01 0.10 -1.61 121.20 123.50 1xru s ILE 46 Ca 0.47 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 60.23 1xru s ILE 46 Cb -0.17 -1.90 -0.03 0.00 0.01 0.00 0.00 42.46 40.36 1xru s ILE 46 CO 0.22 0.55 -0.12 0.68 0.00 0.00 0.00 174.94 176.27 1xru s VAL 47 N 0.35 1.05 -0.98 2.92 -7.23 -0.25 0.58 120.40 116.82 1xru s VAL 47 Ca -0.17 -1.54 0.00 0.00 -1.81 0.00 0.00 61.98 58.46 1xru s VAL 47 Cb -0.17 -1.28 0.00 0.00 0.56 0.00 0.00 36.38 35.49 1xru s VAL 47 CO 0.08 -0.43 0.00 0.61 -0.31 0.00 0.00 175.10 175.05 1xru n GLY 48 N 0.79 -1.23 3.04 2.32 0.00 -0.88 -0.75 105.19 108.48 1xru n GLY 48 Ca -0.18 -0.87 -0.08 0.00 0.00 0.00 0.00 46.02 44.89 1xru n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xru s GLY 49 N 0.00 0.36 0.34 -0.02 0.00 -1.14 -1.06 107.32 105.79 1xru s GLY 49 Ca 0.00 -0.91 0.04 0.00 0.00 0.00 0.00 44.72 43.86 1xru s GLY 49 CO 0.00 -1.00 0.18 -0.42 0.00 0.00 0.00 173.10 171.86 1xru s ILE 50 N -2.78 0.33 -0.29 0.90 1.01 0.36 -1.34 121.20 119.38 1xru s ILE 50 Ca -0.04 -2.00 -0.16 0.00 0.00 0.00 0.00 60.65 58.46 1xru s ILE 50 Cb -0.00 -2.46 0.14 0.00 0.01 0.00 0.00 42.46 40.15 1xru s ILE 50 CO -0.06 0.00 0.94 -2.84 0.00 0.00 0.00 174.94 172.98 1xru s PRO 52 N -3.69 0.40 0.06 2.79 0.02 -1.26 -0.99 135.00 132.34 1xru s PRO 52 Ca 0.33 0.75 0.00 0.00 0.02 0.00 0.00 61.00 62.10 1xru s PRO 52 Cb 0.04 0.17 0.00 0.00 0.02 0.00 0.00 34.50 34.72 1xru s PRO 52 CO 0.19 -0.09 0.00 -0.89 -0.33 0.00 0.00 177.00 175.88 1xru n ILE 53 N 4.02 0.59 0.50 2.83 5.41 -1.26 -4.32 119.36 127.13 1xru n ILE 53 Ca -0.17 0.20 0.11 0.00 1.00 0.00 0.00 62.75 63.88 1xru n ILE 53 Cb 0.57 -1.20 -0.06 0.00 -0.71 0.00 0.00 39.64 38.23 1xru n ILE 53 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1xru n THR 54 N -3.03 0.10 -4.10 1.39 -2.24 -1.26 -4.64 114.28 100.50 1xru n THR 54 Ca 0.00 -0.27 -0.11 0.00 -2.27 0.00 0.00 64.05 61.40 1xru n THR 54 Cb 0.00 0.32 -0.07 0.00 -2.10 0.00 0.00 70.33 68.48 1xru n THR 54 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1xru s LYS 55 N -3.24 1.46 0.61 -0.78 -2.85 -1.26 -5.16 119.74 108.52 1xru s LYS 55 Ca 0.01 -1.50 -0.08 0.00 -1.00 0.00 0.00 55.97 53.41 1xru s LYS 55 Cb 0.14 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 36.30 1xru s LYS 55 CO 0.85 -0.56 0.95 0.95 0.10 0.00 0.00 175.35 177.64 1xru s THR 56 N -3.93 3.82 -0.08 3.79 -4.23 -1.26 -4.61 115.64 109.14 1xru s THR 56 Ca 0.31 0.22 0.01 0.00 -1.18 0.00 0.00 61.69 61.05 1xru s THR 56 Cb 0.03 -3.53 0.02 0.00 1.34 0.00 0.00 72.50 70.35 1xru s THR 56 CO 0.12 -0.60 -0.09 -0.69 -0.54 0.00 0.00 174.62 172.82 1xru s VAL 57 N -3.08 1.00 0.21 2.29 1.01 -0.60 -4.97 120.40 116.28 1xru s VAL 57 Ca 0.54 -0.36 0.11 0.00 0.00 0.00 0.00 61.98 62.28 1xru s VAL 57 Cb -0.11 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 1xru s VAL 57 CO 0.48 0.34 -0.22 -0.44 0.00 0.00 0.00 175.10 175.26 1xru s SER 58 N 1.06 3.36 -0.03 3.32 0.01 -1.26 -0.39 113.70 119.76 1xru s SER 58 Ca -0.07 -0.92 0.01 0.00 1.31 0.00 0.00 55.95 56.28 1xru s SER 58 Cb -0.14 -0.25 0.02 0.00 0.21 0.00 0.00 66.02 65.85 1xru s SER 58 CO -0.01 0.07 -0.05 0.68 0.41 0.00 0.00 173.24 174.35 1xru s VAL 59 N -1.99 0.50 0.00 3.43 -7.23 -0.77 -5.01 120.40 109.33 1xru s VAL 59 Ca 0.23 -0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.25 1xru s VAL 59 Cb -0.07 -0.51 0.00 0.00 0.56 0.00 0.00 36.38 36.37 1xru s VAL 59 CO 0.11 0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.71 1xru n GLY 60 N 3.76 -0.66 0.38 2.32 0.00 -1.26 -1.91 105.19 107.81 1xru n GLY 60 Ca -0.23 0.62 -0.16 0.00 0.00 0.00 0.00 46.02 46.26 1xru n GLY 60 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xru h GLY 61 N 0.00 -0.85 0.80 -0.02 0.00 -1.77 0.15 103.07 101.39 1xru h GLY 61 Ca 0.00 0.40 0.04 0.00 0.00 0.00 0.00 47.33 47.77 1xru h GLY 61 CO 0.00 -0.30 0.37 -2.09 0.00 0.00 0.00 176.54 174.51 1xru h GLU 62 N -0.76 0.69 -0.51 4.80 4.81 -1.97 -1.16 114.58 120.48 1xru h GLU 62 Ca -0.03 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.10 1xru h GLU 62 Cb 0.67 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1xru h GLU 62 CO -0.03 0.46 0.08 0.28 -0.73 0.00 0.00 179.01 179.07 1xru h VAL 63 N 0.71 1.23 -0.62 0.32 2.07 -1.94 -2.39 116.25 115.64 1xru h VAL 63 Ca 0.26 -0.88 0.01 0.00 0.82 0.00 0.00 66.70 66.91 1xru h VAL 63 Cb 0.08 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 1xru h VAL 63 CO -0.13 0.32 0.41 1.23 0.02 0.00 0.00 177.57 179.42 1xru h GLY 64 N 0.97 0.87 1.45 2.17 0.00 -0.40 -1.91 103.07 106.21 1xru h GLY 64 Ca 0.16 -0.32 0.02 0.00 0.00 0.00 0.00 47.33 47.19 1xru h GLY 64 CO 0.01 0.31 0.33 0.50 0.00 0.00 0.00 176.54 177.69 1xru h LYS 65 N 0.83 0.59 0.00 4.80 6.56 -0.76 0.11 116.57 128.70 1xru h LYS 65 Ca 0.23 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.77 1xru h LYS 65 Cb -0.09 -0.13 -0.00 0.00 -0.57 0.00 0.00 32.23 31.44 1xru h LYS 65 CO -0.05 0.39 -0.07 1.96 -2.06 0.00 0.00 179.45 179.62 1xru h GLN 66 N 0.61 0.00 -0.63 3.15 4.20 -0.97 -1.79 115.11 119.68 1xru h GLN 66 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1xru h GLN 66 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1xru h GLN 66 CO -0.05 0.07 0.00 1.28 -0.67 0.00 0.00 178.83 179.46 1xru n LEU 67 N -3.24 3.83 -0.01 1.46 4.77 0.16 -4.94 117.00 119.03 1xru n LEU 67 Ca -0.00 -1.83 -0.00 0.00 -0.03 0.00 0.00 56.01 54.14 1xru n LEU 67 Cb 0.30 -0.42 -0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1xru n LEU 67 CO 0.28 0.92 -0.00 0.61 -1.33 0.00 0.00 177.39 177.87 1xru n GLY 68 N 1.63 0.44 2.30 -0.72 0.00 -0.67 -5.02 105.19 103.14 1xru n GLY 68 Ca 0.23 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 1xru n GLY 68 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1xru n VAL 69 N -2.87 0.00 0.08 1.61 0.24 0.00 -4.97 118.33 112.43 1xru n VAL 69 Ca -0.00 -1.52 -0.10 0.00 -2.04 0.00 0.00 64.34 60.68 1xru n VAL 69 Cb 0.07 0.31 -0.11 0.00 -1.47 0.00 0.00 33.84 32.65 1xru n VAL 69 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1xru h SER 70 N 0.78 0.19 -5.01 -1.34 0.02 -1.90 -2.67 113.55 103.63 1xru h SER 70 Ca -0.26 -0.20 -0.07 0.00 -0.84 0.00 0.00 61.79 60.42 1xru h SER 70 Cb 0.81 -0.06 -0.18 0.00 0.14 0.00 0.00 62.40 63.11 1xru h SER 70 CO 0.44 1.12 0.03 -0.72 -1.14 0.00 0.00 176.83 176.56 1xru s TYR 71 N -2.78 -0.46 0.13 3.45 -0.85 -1.26 -4.39 117.35 111.19 1xru s TYR 71 Ca -0.01 0.66 -0.19 0.00 -0.52 0.00 0.00 57.07 57.00 1xru s TYR 71 Cb 0.09 0.31 0.02 0.00 0.38 0.00 0.00 41.96 42.76 1xru s TYR 71 CO 0.84 -0.58 1.09 0.34 -1.52 0.00 0.00 175.55 175.73 1xru n PHE 72 N 0.76 -0.21 -0.48 -3.49 7.35 0.44 -1.06 117.46 120.77 1xru n PHE 72 Ca -0.19 0.88 -0.03 0.00 -0.76 0.00 0.00 57.45 57.35 1xru n PHE 72 Cb 0.58 -0.62 0.24 0.00 0.35 0.00 0.00 39.48 40.03 1xru n PHE 72 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1xru n LEU 73 N -4.93 4.95 -0.23 -2.13 4.77 -1.26 -4.45 117.00 113.72 1xru n LEU 73 Ca 0.03 -2.56 0.03 0.00 -0.03 0.00 0.00 56.01 53.48 1xru n LEU 73 Cb 0.21 -0.68 0.27 0.00 -2.33 0.00 0.00 43.42 40.89 1xru n LEU 73 CO -0.11 0.66 1.24 -0.08 -1.33 0.00 0.00 177.39 177.77 1xru h GLU 74 N 2.14 0.94 -0.15 3.23 4.81 -1.33 -0.63 114.58 123.58 1xru h GLU 74 Ca 0.17 -0.06 -0.19 0.00 -0.13 0.00 0.00 59.36 59.16 1xru h GLU 74 Cb 1.88 -0.21 -0.32 0.00 0.63 0.00 0.00 28.75 30.72 1xru h GLU 74 CO 0.53 0.62 -0.94 0.54 -0.73 0.00 0.00 179.01 179.02 1xru n ARG 75 N -4.45 0.92 -4.01 1.92 1.74 -1.26 -4.25 116.66 107.26 1xru n ARG 75 Ca 0.10 -2.72 -0.08 0.00 -0.77 0.00 0.00 57.85 54.39 1xru n ARG 75 Cb 0.11 -0.80 -0.09 0.00 -1.02 0.00 0.00 32.46 30.66 1xru n ARG 75 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1xru s ARG 76 N -1.66 0.70 0.11 5.56 0.52 -1.19 -0.66 118.95 122.32 1xru s ARG 76 Ca 0.34 -1.14 0.10 0.00 -0.52 0.00 0.00 55.73 54.52 1xru s ARG 76 Cb 0.37 0.26 -0.04 0.00 0.52 0.00 0.00 34.95 36.06 1xru s ARG 76 CO -0.11 -0.17 -0.25 -1.83 0.02 0.00 0.00 175.30 172.97 1xru s GLU 77 N -3.90 1.58 -0.04 3.54 -1.05 0.26 -3.30 118.70 115.78 1xru s GLU 77 Ca 0.07 -1.26 0.05 0.00 -0.15 0.00 0.00 54.97 53.68 1xru s GLU 77 Cb 0.07 -1.97 -0.01 0.00 -0.44 0.00 0.00 34.13 31.79 1xru s GLU 77 CO -0.10 0.47 -0.20 -1.17 0.95 0.00 0.00 175.26 175.22 1xru s LEU 78 N -1.88 1.97 -0.14 1.83 2.96 0.20 -1.91 118.68 121.71 1xru s LEU 78 Ca 0.14 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.67 1xru s LEU 78 Cb -0.10 -1.09 0.01 0.00 0.50 0.00 0.00 46.19 45.52 1xru s LEU 78 CO 0.06 0.19 -0.19 -0.83 -1.32 0.00 0.00 176.35 174.25 1xru s GLY 79 N -0.07 1.28 -0.03 7.98 0.00 -0.50 0.01 107.32 115.99 1xru s GLY 79 Ca -0.03 -1.03 0.04 0.00 0.00 0.00 0.00 44.72 43.71 1xru s GLY 79 CO 0.02 0.14 -0.16 0.14 0.00 0.00 0.00 173.10 173.24 1xru s VAL 80 N 1.02 1.35 -0.08 1.40 1.01 0.05 -1.62 120.40 123.53 1xru s VAL 80 Ca -0.03 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1xru s VAL 80 Cb -0.15 -1.15 0.02 0.00 0.00 0.00 0.00 36.38 35.10 1xru s VAL 80 CO -0.05 0.39 -0.09 -0.63 0.00 0.00 0.00 175.10 174.71 1xru s ILE 81 N -0.11 1.00 -0.36 2.22 1.01 -0.34 -0.51 121.20 124.11 1xru s ILE 81 Ca -0.00 -0.35 -0.20 0.00 0.00 0.00 0.00 60.65 60.10 1xru s ILE 81 Cb -0.09 -0.97 0.00 0.00 0.01 0.00 0.00 42.46 41.41 1xru s ILE 81 CO 0.01 0.34 0.61 0.21 0.00 0.00 0.00 174.94 176.11 1xru s ASN 82 N 1.10 6.39 0.00 3.58 2.47 -0.77 -1.43 114.94 126.28 1xru s ASN 82 Ca -0.07 0.06 0.18 0.00 0.42 0.00 0.00 52.86 53.45 1xru s ASN 82 Cb -0.14 -2.31 0.41 0.00 -1.45 0.00 0.00 41.25 37.75 1xru s ASN 82 CO -0.01 -0.59 1.34 2.30 -3.72 0.00 0.00 177.10 176.42 1xru n ILE 83 N 5.58 0.70 -1.50 -5.21 -5.35 -0.66 0.36 119.36 113.28 1xru n ILE 83 Ca -0.02 -0.85 0.00 0.00 -0.27 0.00 0.00 62.75 61.61 1xru n ILE 83 Cb 0.49 0.77 0.00 0.00 -1.74 0.00 0.00 39.64 39.15 1xru n ILE 83 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xru n GLY 84 N 1.18 3.60 3.83 3.28 0.00 -1.25 -4.82 105.19 111.00 1xru n GLY 84 Ca 0.17 -1.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 1xru n GLY 84 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xru s GLY 85 N 0.00 1.59 0.40 -0.02 0.00 -0.47 -4.14 107.32 104.67 1xru s GLY 85 Ca 0.00 -0.51 -0.25 0.00 0.00 0.00 0.00 44.72 43.96 1xru s GLY 85 CO 0.00 0.00 1.08 0.00 0.00 0.00 0.00 173.10 174.18 1xru n ALA 86 N -3.56 0.42 -3.00 3.20 0.00 -1.26 -3.50 120.51 112.81 1xru n ALA 86 Ca 0.07 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1xru n ALA 86 Cb 0.59 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.92 1xru n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xru n GLY 87 N 1.09 2.67 3.05 0.00 0.00 -0.50 -1.39 105.19 110.11 1xru n GLY 87 Ca 0.09 -1.19 -0.08 0.00 0.00 0.00 0.00 46.02 44.83 1xru n GLY 87 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xru s THR 88 N -2.68 0.19 -0.10 2.61 -4.23 -0.17 -0.74 115.64 110.53 1xru s THR 88 Ca 0.00 -1.44 -0.01 0.00 -1.18 0.00 0.00 61.69 59.06 1xru s THR 88 Cb 0.00 -1.00 0.03 0.00 1.34 0.00 0.00 72.50 72.87 1xru s THR 88 CO 0.00 -0.78 -0.02 -0.63 -0.54 0.00 0.00 174.62 172.65 1xru s ILE 89 N -2.87 0.60 -0.27 2.99 1.01 -0.22 -1.31 121.20 121.14 1xru s ILE 89 Ca -0.03 -0.08 -0.07 0.00 0.00 0.00 0.00 60.65 60.48 1xru s ILE 89 Cb 0.00 -0.75 -0.01 0.00 0.01 0.00 0.00 42.46 41.72 1xru s ILE 89 CO -0.06 0.25 0.07 -0.89 0.00 0.00 0.00 174.94 174.31 1xru s THR 90 N 1.88 4.09 -0.36 2.92 2.01 -0.04 -0.59 115.64 125.54 1xru s THR 90 Ca 0.04 -0.43 -0.10 0.00 0.31 0.00 0.00 61.69 61.51 1xru s THR 90 Cb -0.13 -3.00 0.03 0.00 0.01 0.00 0.00 72.50 69.41 1xru s THR 90 CO -0.06 0.23 0.18 -0.69 -0.69 0.00 0.00 174.62 173.58 1xru s VAL 91 N 1.55 4.40 -1.49 3.82 1.01 -0.04 -0.90 120.40 128.75 1xru s VAL 91 Ca 0.05 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 1xru s VAL 91 Cb -0.16 -3.43 0.03 0.00 0.00 0.00 0.00 36.38 32.82 1xru s VAL 91 CO 0.03 -0.18 0.38 0.47 0.00 0.00 0.00 175.10 175.79 1xru n ASP 92 N 4.95 -0.47 0.00 3.32 8.00 -0.44 -1.06 116.55 130.85 1xru n ASP 92 Ca -0.12 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.30 1xru n ASP 92 Cb 0.46 -2.64 0.00 0.00 -0.02 0.00 0.00 41.12 38.92 1xru n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xru n GLY 93 N -2.02 3.23 3.56 0.44 0.00 -1.26 -5.01 105.19 104.12 1xru n GLY 93 Ca -0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 1xru n GLY 93 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xru s GLN 94 N -0.52 3.52 -0.09 1.61 -1.52 -0.22 -5.03 119.66 117.41 1xru s GLN 94 Ca 0.00 0.07 -0.24 0.00 -1.95 0.00 0.00 55.36 53.24 1xru s GLN 94 Cb 0.00 -3.91 -0.03 0.00 -0.22 0.00 0.00 33.01 28.85 1xru s GLN 94 CO 0.00 -1.11 0.75 0.00 -0.25 0.00 0.00 175.29 174.69 1xru s TYR 96 N 1.21 2.75 -0.30 0.00 1.51 0.24 -4.97 117.35 117.79 1xru s TYR 96 Ca 0.39 -0.65 -0.24 0.00 -1.01 0.00 0.00 57.07 55.55 1xru s TYR 96 Cb -0.18 -1.79 0.00 0.00 -0.11 0.00 0.00 41.96 39.89 1xru s TYR 96 CO 0.17 -0.20 0.83 -1.21 -1.11 0.00 0.00 175.55 174.04 1xru s GLU 97 N 0.21 4.01 -0.44 -0.62 2.02 -1.26 -1.05 118.70 121.56 1xru s GLU 97 Ca -0.09 0.71 0.02 0.00 0.02 0.00 0.00 54.97 55.63 1xru s GLU 97 Cb -0.16 -3.72 0.12 0.00 0.10 0.00 0.00 34.13 30.48 1xru s GLU 97 CO 0.06 -0.68 0.19 0.42 0.02 0.00 0.00 175.26 175.26 1xru s ILE 98 N 3.03 2.71 0.36 -1.63 -1.09 0.08 -4.98 121.20 119.68 1xru s ILE 98 Ca 0.35 -2.70 -0.06 0.00 -2.23 0.00 0.00 60.65 56.00 1xru s ILE 98 Cb -0.14 -2.90 0.08 0.00 -1.58 0.00 0.00 42.46 37.92 1xru s ILE 98 CO 0.12 -0.71 0.47 0.61 -1.23 0.00 0.00 174.94 174.19 1xru n GLY 99 N 3.83 -1.37 3.69 6.18 0.00 -1.26 -1.41 105.19 114.84 1xru n GLY 99 Ca 0.04 -1.67 -0.44 0.00 0.00 0.00 0.00 46.02 43.96 1xru n GLY 99 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1xru n HIS 100 N -2.71 2.54 -1.08 1.61 -0.00 -1.26 -1.32 115.22 113.00 1xru n HIS 100 Ca 0.06 -0.06 -0.03 0.00 -0.00 0.00 0.00 57.72 57.69 1xru n HIS 100 Cb 0.21 -2.69 -0.01 0.00 -0.00 0.00 0.00 29.99 27.49 1xru n HIS 100 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1xru n ARG 101 N 5.40 -0.81 -2.75 1.57 1.74 0.16 -4.98 116.66 116.98 1xru n ARG 101 Ca 0.18 0.39 -0.26 0.00 -0.77 0.00 0.00 57.85 57.39 1xru n ARG 101 Cb 0.35 -4.12 0.00 0.00 -1.02 0.00 0.00 32.46 27.67 1xru n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1xru s ASP 102 N -2.26 6.12 0.09 0.55 1.01 -0.43 -4.28 116.67 117.47 1xru s ASP 102 Ca 0.00 0.76 -0.01 0.00 0.71 0.00 0.00 52.55 54.01 1xru s ASP 102 Cb 0.00 -2.06 -0.04 0.00 1.01 0.00 0.00 42.92 41.83 1xru s ASP 102 CO 0.00 -0.62 0.00 0.00 0.21 0.00 0.00 175.17 174.76 1xru s ALA 103 N -2.70 0.69 -0.04 5.23 0.00 0.97 -1.85 121.76 124.06 1xru s ALA 103 Ca 0.47 -1.33 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 1xru s ALA 103 Cb -0.10 0.51 0.03 0.00 0.00 0.00 0.00 23.12 23.57 1xru s ALA 103 CO 0.43 -0.41 0.09 -1.17 0.00 0.00 0.00 175.76 174.70 1xru s LEU 104 N -2.98 0.93 -0.22 0.00 2.96 0.34 -0.25 118.68 119.45 1xru s LEU 104 Ca 0.14 0.17 -0.08 0.00 -0.22 0.00 0.00 54.13 54.15 1xru s LEU 104 Cb 0.08 0.15 -0.04 0.00 0.50 0.00 0.00 46.19 46.88 1xru s LEU 104 CO -0.05 -0.13 0.08 -0.47 -1.32 0.00 0.00 176.35 174.45 1xru s TYR 105 N 1.08 3.18 -0.21 5.38 5.04 -0.23 -0.77 117.35 130.82 1xru s TYR 105 Ca -0.09 -0.11 -0.03 0.00 -2.44 0.00 0.00 57.07 54.40 1xru s TYR 105 Cb -0.12 -2.17 -0.01 0.00 0.35 0.00 0.00 41.96 40.02 1xru s TYR 105 CO -0.04 -0.07 -0.06 0.08 -1.34 0.00 0.00 175.55 174.12 1xru s VAL 106 N 0.97 3.28 0.71 3.14 1.01 0.10 -0.90 120.40 128.71 1xru s VAL 106 Ca 0.04 -0.53 -0.10 0.00 0.00 0.00 0.00 61.98 61.39 1xru s VAL 106 Cb -0.14 -2.48 0.03 0.00 0.00 0.00 0.00 36.38 33.80 1xru s VAL 106 CO 0.03 0.44 1.08 -0.83 0.00 0.00 0.00 175.10 175.82 1xru s GLY 107 N 1.38 1.62 0.31 4.51 0.00 -1.26 -0.63 107.32 113.26 1xru s GLY 107 Ca 0.05 -0.52 -0.29 0.00 0.00 0.00 0.00 44.72 43.96 1xru s GLY 107 CO -0.03 -0.13 1.30 1.17 0.00 0.00 0.00 173.10 175.41 1xru n LYS 108 N -3.01 2.05 0.00 2.90 4.81 -1.21 -3.02 118.16 120.68 1xru n LYS 108 Ca 0.07 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 58.23 1xru n LYS 108 Cb 0.58 -2.31 0.00 0.00 0.02 0.00 0.00 35.03 33.33 1xru n LYS 108 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xru n GLY 109 N 1.13 2.89 3.70 3.14 0.00 -0.25 -4.73 105.19 111.07 1xru n GLY 109 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1xru n GLY 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xru s ALA 110 N -2.56 3.69 -0.10 4.61 0.00 -1.17 -4.92 121.76 121.32 1xru s ALA 110 Ca 0.00 1.22 -0.21 0.00 0.00 0.00 0.00 51.96 52.97 1xru s ALA 110 Cb 0.00 -3.63 -0.28 0.00 0.00 0.00 0.00 23.12 19.21 1xru s ALA 110 CO 0.00 -0.87 0.68 0.87 0.00 0.00 0.00 175.76 176.44 1xru h LYS 111 N 7.44 0.20 -3.94 0.00 1.57 -1.93 -3.37 116.57 116.54 1xru h LYS 111 Ca -0.42 -0.33 -0.30 0.00 -1.87 0.00 0.00 60.65 57.73 1xru h LYS 111 Cb 1.20 0.12 -0.30 0.00 0.08 0.00 0.00 32.23 33.33 1xru h LYS 111 CO 0.91 1.16 -0.74 -2.00 -0.57 0.00 0.00 179.45 178.21 1xru s GLU 112 N -2.40 0.25 -0.13 3.15 2.12 -1.26 -4.31 118.70 116.12 1xru s GLU 112 Ca -0.18 -0.04 0.02 0.00 0.36 0.00 0.00 54.97 55.12 1xru s GLU 112 Cb 0.02 -0.31 0.02 0.00 0.26 0.00 0.00 34.13 34.12 1xru s GLU 112 CO 0.76 -0.00 -0.17 0.08 -0.54 0.00 0.00 175.26 175.39 1xru s VAL 113 N 0.29 1.70 -0.16 3.70 1.01 -0.80 -1.33 120.40 124.80 1xru s VAL 113 Ca -0.03 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.20 1xru s VAL 113 Cb -0.05 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 1xru s VAL 113 CO -0.01 0.48 -0.13 -0.69 0.00 0.00 0.00 175.10 174.75 1xru s VAL 114 N 1.08 2.87 -0.14 2.92 1.01 -0.08 -1.85 120.40 126.21 1xru s VAL 114 Ca -0.03 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.19 1xru s VAL 114 Cb -0.14 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 1xru s VAL 114 CO -0.05 0.51 0.08 -0.36 0.00 0.00 0.00 175.10 175.27 1xru s PHE 115 N 0.78 3.35 0.04 5.22 0.40 0.47 -0.86 117.98 127.39 1xru s PHE 115 Ca -0.05 0.27 -0.02 0.00 -0.60 0.00 0.00 56.93 56.53 1xru s PHE 115 Cb -0.15 -1.97 -0.03 0.00 0.51 0.00 0.00 43.02 41.38 1xru s PHE 115 CO 0.01 0.43 -0.00 0.00 0.70 0.00 0.00 175.22 176.35 1xru s ALA 116 N -0.38 0.30 0.01 5.36 0.00 -0.42 -1.55 121.76 125.08 1xru s ALA 116 Ca 0.10 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.15 1xru s ALA 116 Cb -0.12 0.25 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 1xru s ALA 116 CO 0.02 -0.32 -0.09 -1.12 0.00 0.00 0.00 175.76 174.24 1xru s SER 117 N -2.47 4.42 -0.04 0.00 0.01 -1.26 -1.00 113.70 113.36 1xru s SER 117 Ca -0.00 -0.21 -0.22 0.00 1.31 0.00 0.00 55.95 56.83 1xru s SER 117 Cb 0.02 -0.97 -0.30 0.00 0.21 0.00 0.00 66.02 64.99 1xru s SER 117 CO -0.07 0.28 0.92 0.40 0.41 0.00 0.00 173.24 175.18 1xru h ILE 118 N 3.81 1.51 -3.10 1.44 1.08 -1.56 -3.45 117.51 117.24 1xru h ILE 118 Ca -0.48 -2.47 -0.67 0.00 -0.39 0.00 0.00 64.86 60.85 1xru h ILE 118 Cb 1.16 3.12 -0.34 0.00 -3.07 0.00 0.00 36.82 37.69 1xru h ILE 118 CO 0.52 0.70 -0.85 -1.81 -0.69 0.00 0.00 178.15 176.03 1xru s ASP 119 N -6.93 3.25 0.58 1.72 1.01 -1.26 -4.99 116.67 110.04 1xru s ASP 119 Ca -0.14 -0.62 0.35 0.00 0.71 0.00 0.00 52.55 52.86 1xru s ASP 119 Cb 0.01 -1.50 1.74 0.00 1.01 0.00 0.00 42.92 44.18 1xru s ASP 119 CO 0.83 0.00 2.14 0.71 0.21 0.00 0.00 175.17 179.06 1xru h THR 120 N 5.91 0.18 0.00 -1.27 1.35 -1.86 -2.01 112.91 115.21 1xru h THR 120 Ca -0.45 -0.36 -0.15 0.00 -0.55 0.00 0.00 66.41 64.91 1xru h THR 120 Cb 1.15 1.30 -0.02 0.00 -1.73 0.00 0.00 68.15 68.84 1xru h THR 120 CO 0.63 0.04 -0.69 1.23 -0.25 0.00 0.00 175.52 176.48 1xru h GLY 121 N 1.00 0.00 -6.13 5.82 0.00 -1.94 -3.35 103.07 98.47 1xru h GLY 121 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.75 1xru h GLY 121 CO 0.01 0.00 -0.97 2.41 0.00 0.00 0.00 176.54 177.99 1xru n THR 122 N -3.64 -0.07 -1.66 4.70 -1.04 -0.80 -5.12 114.28 106.65 1xru n THR 122 Ca -0.01 -4.21 -0.37 0.00 -2.04 0.00 0.00 64.05 57.43 1xru n THR 122 Cb 0.70 -1.95 0.07 0.00 -1.82 0.00 0.00 70.33 67.32 1xru n THR 122 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1xru n PRO 123 N 1.52 0.98 -2.27 -2.82 -0.04 -0.93 -3.43 135.00 128.01 1xru n PRO 123 Ca 0.24 0.39 -0.34 0.00 -0.04 0.00 0.00 63.50 63.75 1xru n PRO 123 Cb 0.49 -2.41 -0.00 0.00 -0.04 0.00 0.00 33.50 31.54 1xru n PRO 123 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xru s ALA 124 N -1.47 2.75 -0.45 0.55 0.00 -1.23 -1.37 121.76 120.53 1xru s ALA 124 Ca 0.80 0.63 0.02 0.00 0.00 0.00 0.00 51.96 53.41 1xru s ALA 124 Cb -0.38 -3.29 0.14 0.00 0.00 0.00 0.00 23.12 19.58 1xru s ALA 124 CO 0.43 -0.66 0.25 0.15 0.00 0.00 0.00 175.76 175.92 1xru s LYS 125 N -3.51 1.37 -0.49 0.00 1.02 -1.26 -4.18 119.74 112.69 1xru s LYS 125 Ca 0.68 -2.10 -0.26 0.00 0.02 0.00 0.00 55.97 54.31 1xru s LYS 125 Cb -0.19 -2.44 0.03 0.00 -0.52 0.00 0.00 37.83 34.71 1xru s LYS 125 CO 0.28 -1.16 0.99 -0.06 -0.92 0.00 0.00 175.35 174.48 1xru s PHE 126 N 0.24 2.86 -0.10 3.18 0.40 -0.16 -1.65 117.98 122.75 1xru s PHE 126 Ca 0.18 0.40 -0.15 0.00 -0.60 0.00 0.00 56.93 56.75 1xru s PHE 126 Cb -0.23 -4.12 -0.05 0.00 0.51 0.00 0.00 43.02 39.13 1xru s PHE 126 CO -0.01 -1.21 0.39 -0.47 0.70 0.00 0.00 175.22 174.63 1xru s TYR 127 N 4.02 3.56 0.06 0.36 5.04 -0.51 -0.49 117.35 129.39 1xru s TYR 127 Ca 0.39 0.82 0.02 0.00 -2.44 0.00 0.00 57.07 55.86 1xru s TYR 127 Cb -0.10 -2.39 -0.03 0.00 0.35 0.00 0.00 41.96 39.79 1xru s TYR 127 CO 0.27 0.34 -0.08 1.52 -1.34 0.00 0.00 175.55 176.26 1xru s TYR 128 N 0.04 0.77 -0.03 4.97 -0.85 -0.23 -1.20 117.35 120.82 1xru s TYR 128 Ca 0.22 -0.62 0.03 0.00 -0.52 0.00 0.00 57.07 56.19 1xru s TYR 128 Cb -0.15 -0.45 0.00 0.00 0.38 0.00 0.00 41.96 41.74 1xru s TYR 128 CO 0.09 -0.09 -0.13 -0.80 -1.52 0.00 0.00 175.55 173.10 1xru s ASN 129 N -2.02 1.63 -0.05 -0.18 0.02 -0.64 -2.06 114.94 111.64 1xru s ASN 129 Ca -0.03 -0.26 0.02 0.00 -1.02 0.00 0.00 52.86 51.57 1xru s ASN 129 Cb -0.06 -0.45 0.01 0.00 0.02 0.00 0.00 41.25 40.78 1xru s ASN 129 CO -0.01 0.10 -0.09 0.00 0.02 0.00 0.00 177.10 177.13 1xru s ALA 131 N 0.61 1.02 0.40 0.00 0.00 -0.80 0.00 121.76 122.99 1xru s ALA 131 Ca -0.11 -1.18 -0.26 0.00 0.00 0.00 0.00 51.96 50.41 1xru s ALA 131 Cb -0.13 0.06 -0.10 0.00 0.00 0.00 0.00 23.12 22.95 1xru s ALA 131 CO 0.02 -0.08 1.36 -2.30 0.00 0.00 0.00 175.76 174.75 1xru n PRO 132 N 0.51 2.21 -3.78 0.00 -0.02 -1.26 -0.58 135.00 132.09 1xru n PRO 132 Ca -0.16 0.78 -0.14 0.00 -2.02 0.00 0.00 63.50 61.96 1xru n PRO 132 Cb 0.58 -2.50 -0.16 0.00 -0.02 0.00 0.00 33.50 31.41 1xru n PRO 132 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xru s ALA 133 N -1.16 0.01 -0.46 3.55 0.00 0.17 -4.67 121.76 119.21 1xru s ALA 133 Ca 0.58 0.34 0.22 0.00 0.00 0.00 0.00 51.96 53.10 1xru s ALA 133 Cb -0.50 -0.26 -0.28 0.00 0.00 0.00 0.00 23.12 22.08 1xru s ALA 133 CO 0.60 -0.11 0.67 0.72 0.00 0.00 0.00 175.76 177.65 1xru n HIS 134 N 4.07 0.01 -4.47 0.00 8.25 -1.26 -4.12 115.22 117.70 1xru n HIS 134 Ca -0.26 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 56.93 1xru n HIS 134 Cb 0.51 -0.29 -0.13 0.00 1.12 0.00 0.00 29.99 31.20 1xru n HIS 134 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1xru s THR 135 N -3.29 2.00 -0.34 1.59 2.01 -1.26 -5.12 115.64 111.23 1xru s THR 135 Ca -0.01 -1.56 -0.15 0.00 0.31 0.00 0.00 61.69 60.28 1xru s THR 135 Cb 0.15 -1.77 -0.01 0.00 0.01 0.00 0.00 72.50 70.88 1xru s THR 135 CO 0.89 0.10 0.36 -0.89 -0.69 0.00 0.00 174.62 174.40 1xru s THR 136 N -1.01 5.17 0.13 -0.82 2.01 -1.26 -4.43 115.64 115.42 1xru s THR 136 Ca 0.10 0.08 0.06 0.00 0.31 0.00 0.00 61.69 62.25 1xru s THR 136 Cb -0.10 -3.81 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 1xru s THR 136 CO 0.04 -0.08 0.00 -0.31 -0.69 0.00 0.00 174.62 173.59 1xru s TYR 137 N 2.02 2.93 0.35 4.92 1.51 -1.26 -4.97 117.35 122.86 1xru s TYR 137 Ca 0.12 -0.08 -0.29 0.00 -1.01 0.00 0.00 57.07 55.82 1xru s TYR 137 Cb -0.16 -1.47 -0.11 0.00 -0.11 0.00 0.00 41.96 40.11 1xru s TYR 137 CO 0.12 0.49 1.51 -0.35 -1.11 0.00 0.00 175.55 176.21 1xru n PRO 138 N 0.25 2.67 -2.04 -1.71 -0.04 -1.26 -3.98 135.00 128.89 1xru n PRO 138 Ca -0.10 0.94 -0.41 0.00 -0.04 0.00 0.00 63.50 63.88 1xru n PRO 138 Cb 0.53 -2.68 -0.02 0.00 -0.04 0.00 0.00 33.50 31.29 1xru n PRO 138 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1xru s THR 139 N -0.83 2.67 -0.10 0.52 2.01 -1.26 -4.63 115.64 114.01 1xru s THR 139 Ca 0.56 0.59 -0.07 0.00 0.31 0.00 0.00 61.69 63.08 1xru s THR 139 Cb -0.48 -3.38 0.04 0.00 0.01 0.00 0.00 72.50 68.69 1xru s THR 139 CO 0.60 0.11 0.26 -0.75 -0.69 0.00 0.00 174.62 174.14 1xru s LYS 140 N -0.79 0.25 0.01 4.92 2.20 -0.08 -4.98 119.74 121.27 1xru s LYS 140 Ca 0.56 0.47 -0.24 0.00 -0.36 0.00 0.00 55.97 56.41 1xru s LYS 140 Cb -0.41 -0.01 -0.05 0.00 -1.51 0.00 0.00 37.83 35.85 1xru s LYS 140 CO 0.46 -0.11 0.71 0.21 -0.36 0.00 0.00 175.35 176.27 1xru s LYS 141 N 0.81 4.44 -0.14 4.03 2.20 -1.26 -1.07 119.74 128.76 1xru s LYS 141 Ca -0.06 0.95 0.01 0.00 -0.36 0.00 0.00 55.97 56.51 1xru s LYS 141 Cb -0.07 -3.38 0.02 0.00 -1.51 0.00 0.00 37.83 32.89 1xru s LYS 141 CO -0.05 0.25 -0.16 0.08 -0.36 0.00 0.00 175.35 175.11 1xru s VAL 142 N 0.11 1.63 0.35 4.02 1.01 0.65 -4.98 120.40 123.19 1xru s VAL 142 Ca 0.37 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.74 1xru s VAL 142 Cb -0.19 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 1xru s VAL 142 CO 0.21 0.47 0.30 0.42 0.00 0.00 0.00 175.10 176.49 1xru s THR 143 N 1.28 3.28 0.25 3.92 -4.23 -1.26 -0.02 115.64 118.86 1xru s THR 143 Ca 0.01 -1.39 -0.04 0.00 -1.18 0.00 0.00 61.69 59.08 1xru s THR 143 Cb -0.14 -3.12 0.24 0.00 1.34 0.00 0.00 72.50 70.82 1xru s THR 143 CO -0.08 -0.13 1.86 -0.65 -0.54 0.00 0.00 174.62 175.08 1xru h PRO 144 N 1.22 1.02 0.00 3.99 0.11 -1.92 -1.23 132.00 135.20 1xru h PRO 144 Ca -0.44 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1xru h PRO 144 Cb 1.26 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1xru h PRO 144 CO 0.59 0.68 0.00 -0.40 -0.21 0.00 0.00 178.00 178.65 1xru n ASP 145 N -4.57 0.00 0.04 -2.05 5.68 -1.26 -1.38 116.55 113.01 1xru n ASP 145 Ca 0.14 0.34 0.11 0.00 -0.50 0.00 0.00 54.79 54.88 1xru n ASP 145 Cb 0.19 -0.42 -0.07 0.00 -1.14 0.00 0.00 41.12 39.67 1xru n ASP 145 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1xru n GLU 146 N -1.42 0.56 -3.33 0.11 1.02 -0.49 -4.87 120.64 112.22 1xru n GLU 146 Ca 0.05 -0.03 -0.34 0.00 -0.02 0.00 0.00 57.16 56.82 1xru n GLU 146 Cb 0.17 -1.65 -0.06 0.00 -0.02 0.00 0.00 31.44 29.88 1xru n GLU 146 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1xru s VAL 147 N -3.39 4.83 -0.85 2.62 1.01 -0.48 -4.98 120.40 119.16 1xru s VAL 147 Ca -0.03 0.76 -0.10 0.00 0.00 0.00 0.00 61.98 62.61 1xru s VAL 147 Cb 0.12 -3.69 0.22 0.00 0.00 0.00 0.00 36.38 33.04 1xru s VAL 147 CO 0.84 0.07 0.78 -0.94 0.00 0.00 0.00 175.10 175.85 1xru s SER 148 N -2.01 6.54 0.38 3.32 1.04 -1.26 -4.94 113.70 116.78 1xru s SER 148 Ca 0.44 -2.97 -0.27 0.00 0.48 0.00 0.00 55.95 53.63 1xru s SER 148 Cb -0.13 -2.13 -0.11 0.00 0.10 0.00 0.00 66.02 63.75 1xru s SER 148 CO 0.20 -0.45 1.29 -2.65 0.98 0.00 0.00 173.24 172.61 1xru n PRO 149 N 3.52 2.07 -3.95 4.02 -0.02 -1.26 -4.79 135.00 134.58 1xru n PRO 149 Ca 0.15 0.73 -0.19 0.00 -2.02 0.00 0.00 63.50 62.18 1xru n PRO 149 Cb 0.43 -2.38 -0.16 0.00 -0.02 0.00 0.00 33.50 31.37 1xru n PRO 149 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1xru s VAL 150 N -1.15 0.28 -0.19 -1.45 0.11 -0.86 -4.97 120.40 112.17 1xru s VAL 150 Ca 0.58 0.06 -0.13 0.00 -2.93 0.00 0.00 61.98 59.56 1xru s VAL 150 Cb -0.53 -0.38 -0.05 0.00 -1.53 0.00 0.00 36.38 33.90 1xru s VAL 150 CO 0.60 0.18 0.24 -0.89 -3.33 0.00 0.00 175.10 171.91 1xru s THR 151 N 1.19 5.33 0.38 5.04 2.01 -1.26 -0.52 115.64 127.80 1xru s THR 151 Ca -0.07 0.41 0.06 0.00 0.31 0.00 0.00 61.69 62.40 1xru s THR 151 Cb -0.13 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 68.77 1xru s THR 151 CO -0.02 0.38 0.23 0.18 -0.69 0.00 0.00 174.62 174.70 1xru n LEU 152 N 3.81 0.00 0.00 4.42 4.77 -0.50 -4.99 117.00 124.51 1xru n LEU 152 Ca -0.13 -3.26 0.01 0.00 -0.03 0.00 0.00 56.01 52.60 1xru n LEU 152 Cb 0.52 1.45 -0.00 0.00 -2.33 0.00 0.00 43.42 43.06 1xru n LEU 152 CO 0.38 -0.53 -0.02 0.61 -1.33 0.00 0.00 177.39 176.51 1xru n GLY 153 N -0.78 -2.23 3.31 -0.72 0.00 -1.26 -1.39 105.19 102.13 1xru n GLY 153 Ca 0.02 -1.51 -0.14 0.00 0.00 0.00 0.00 46.02 44.40 1xru n GLY 153 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xru s ASP 154 N -2.46 -0.29 0.32 1.61 2.15 -1.26 -4.62 116.67 112.13 1xru s ASP 154 Ca 0.00 0.12 0.03 0.00 0.43 0.00 0.00 52.55 53.13 1xru s ASP 154 Cb 0.00 0.39 0.61 0.00 -0.30 0.00 0.00 42.92 43.62 1xru s ASP 154 CO 0.00 -0.57 1.92 0.78 -0.17 0.00 0.00 175.17 177.13 1xru h ASN 155 N 3.37 0.82 -0.07 -0.34 -0.26 -1.95 -1.67 115.58 115.49 1xru h ASN 155 Ca -0.30 0.01 0.02 0.00 -0.56 0.00 0.00 56.30 55.47 1xru h ASN 155 Cb 1.18 -0.17 -0.00 0.00 -1.06 0.00 0.00 38.32 38.28 1xru h ASN 155 CO 0.42 0.52 0.05 -0.07 -1.06 0.00 0.00 177.43 177.29 1xru h LEU 156 N 0.93 0.00 -3.17 1.61 3.38 -1.99 0.98 115.31 117.05 1xru h LEU 156 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1xru h LEU 156 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1xru h LEU 156 CO -0.14 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.74 1xru n THR 157 N -4.31 1.91 -4.45 0.22 -2.24 -0.69 -4.97 114.28 99.75 1xru n THR 157 Ca -0.01 -1.48 -0.39 0.00 -2.27 0.00 0.00 64.05 59.89 1xru n THR 157 Cb 0.16 0.01 -0.07 0.00 -2.10 0.00 0.00 70.33 68.33 1xru n THR 157 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1xru n SER 158 N 0.18 -1.53 -0.84 3.42 2.88 0.34 -4.75 113.62 113.31 1xru n SER 158 Ca 0.20 -1.21 0.04 0.00 -1.33 0.00 0.00 58.87 56.57 1xru n SER 158 Cb 0.80 -1.81 0.05 0.00 -0.75 0.00 0.00 64.21 62.50 1xru n SER 158 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1xru n ASN 159 N -2.58 0.92 -4.67 -3.46 6.94 -1.01 -0.95 115.26 110.46 1xru n ASN 159 Ca 0.02 -2.40 -0.42 0.00 -0.02 0.00 0.00 54.58 51.76 1xru n ASN 159 Cb 0.51 -0.31 -0.03 0.00 -2.36 0.00 0.00 39.78 37.59 1xru n ASN 159 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 1xru s ARG 160 N -0.82 4.20 0.22 -3.83 6.06 -1.24 -4.02 118.95 119.51 1xru s ARG 160 Ca 0.22 2.15 -0.17 0.00 -2.50 0.00 0.00 55.73 55.43 1xru s ARG 160 Cb 0.23 -3.88 0.02 0.00 0.06 0.00 0.00 34.95 31.39 1xru s ARG 160 CO -0.07 -0.79 0.55 -0.98 -2.50 0.00 0.00 175.30 171.50 1xru s ARG 161 N 3.65 1.47 -0.19 5.12 1.70 -0.48 -1.05 118.95 129.17 1xru s ARG 161 Ca 0.71 -0.94 -0.01 0.00 -0.47 0.00 0.00 55.73 55.02 1xru s ARG 161 Cb -0.33 0.53 0.01 0.00 -0.57 0.00 0.00 34.95 34.58 1xru s ARG 161 CO 0.29 -0.63 -0.13 0.99 -1.08 0.00 0.00 175.30 174.73 1xru s THR 162 N -3.90 2.67 -0.19 4.99 2.01 -0.32 -1.41 115.64 119.49 1xru s THR 162 Ca 0.12 -0.74 -0.12 0.00 0.31 0.00 0.00 61.69 61.26 1xru s THR 162 Cb -0.02 -2.17 -0.05 0.00 0.01 0.00 0.00 72.50 70.28 1xru s THR 162 CO 0.01 0.49 0.21 -0.63 -0.69 0.00 0.00 174.62 174.01 1xru s ILE 163 N 1.30 5.35 -0.29 1.82 1.01 0.32 -1.56 121.20 129.14 1xru s ILE 163 Ca 0.04 0.37 0.01 0.00 0.00 0.00 0.00 60.65 61.07 1xru s ILE 163 Cb -0.14 -3.55 0.09 0.00 0.01 0.00 0.00 42.46 38.86 1xru s ILE 163 CO -0.07 0.40 0.03 0.20 0.00 0.00 0.00 174.94 175.50 1xru s ASN 164 N 0.48 4.18 -0.48 3.58 0.01 0.24 -2.03 114.94 120.93 1xru s ASN 164 Ca 0.12 -1.63 -0.19 0.00 -0.71 0.00 0.00 52.86 50.45 1xru s ASN 164 Cb -0.12 -1.20 0.05 0.00 0.41 0.00 0.00 41.25 40.38 1xru s ASN 164 CO 0.01 -0.34 0.58 -0.54 -1.51 0.00 0.00 177.10 175.30 1xru s LYS 165 N 1.33 3.13 -0.13 -0.60 1.02 -1.26 0.17 119.74 123.39 1xru s LYS 165 Ca 0.05 -0.82 -0.13 0.00 0.02 0.00 0.00 55.97 55.09 1xru s LYS 165 Cb -0.18 -4.05 -0.11 0.00 -0.52 0.00 0.00 37.83 32.97 1xru s LYS 165 CO -0.13 -1.11 0.25 1.88 -0.92 0.00 0.00 175.35 175.32 1xru h TYR 166 N 8.91 0.00 -3.54 3.18 -1.99 -1.95 -3.44 116.97 118.15 1xru h TYR 166 Ca -0.27 0.00 -0.72 0.00 2.00 0.00 0.00 58.73 59.74 1xru h TYR 166 Cb 1.10 0.00 -0.32 0.00 2.00 0.00 0.00 36.73 39.51 1xru h TYR 166 CO 0.71 0.48 -0.30 -0.06 -0.00 0.00 0.00 178.16 178.99 1xru s PHE 167 N -1.94 3.50 0.08 4.88 2.99 -1.26 -4.75 117.98 121.47 1xru s PHE 167 Ca -0.11 -2.37 -0.10 0.00 0.00 0.00 0.00 56.93 54.35 1xru s PHE 167 Cb -0.00 -3.38 0.00 0.00 0.00 0.00 0.00 43.02 39.64 1xru s PHE 167 CO 0.31 -0.91 0.21 0.14 -0.00 0.00 0.00 175.22 174.97 1xru s VAL 168 N 0.40 0.13 0.35 -0.44 -7.23 -1.26 -4.10 120.40 108.25 1xru s VAL 168 Ca 0.14 -1.07 0.17 0.00 -1.81 0.00 0.00 61.98 59.41 1xru s VAL 168 Cb -0.20 -1.25 0.34 0.00 0.56 0.00 0.00 36.38 35.83 1xru s VAL 168 CO -0.04 -0.59 1.65 -0.65 -0.31 0.00 0.00 175.10 175.16 1xru h PRO 169 N 2.82 0.26 0.00 4.82 0.11 -1.95 0.22 132.00 138.28 1xru h PRO 169 Ca -0.34 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1xru h PRO 169 Cb 1.20 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1xru h PRO 169 CO 0.54 0.17 0.00 -0.44 -0.21 0.00 0.00 178.00 178.06 1xru h ASP 170 N 0.27 0.00 0.00 -2.05 3.32 -1.98 -3.31 116.42 112.67 1xru h ASP 170 Ca 0.75 0.00 -0.41 0.00 0.02 0.00 0.00 57.03 57.39 1xru h ASP 170 Cb 1.81 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 41.29 1xru h ASP 170 CO -0.61 0.00 -2.40 0.52 -1.72 0.00 0.00 179.24 175.04 1xru n VAL 171 N -2.90 1.38 -3.87 -1.35 0.31 0.67 -5.09 118.33 107.48 1xru n VAL 171 Ca 0.01 -0.39 -0.07 0.00 -0.01 0.00 0.00 64.34 63.87 1xru n VAL 171 Cb 0.27 -1.72 -0.02 0.00 -0.91 0.00 0.00 33.84 31.46 1xru n VAL 171 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 1xru s LEU 172 N -7.13 -0.17 -0.13 7.52 0.05 -0.55 -5.00 118.68 113.27 1xru s LEU 172 Ca -0.34 -0.70 -0.12 0.00 0.05 0.00 0.00 54.13 53.02 1xru s LEU 172 Cb 0.12 2.64 -0.05 0.00 -2.05 0.00 0.00 46.19 46.86 1xru s LEU 172 CO 0.47 -1.36 0.26 -1.61 -0.55 0.00 0.00 176.35 173.55 1xru s GLU 173 N -3.78 3.98 0.14 1.48 2.02 -1.26 -3.83 118.70 117.46 1xru s GLU 173 Ca 0.13 0.06 0.01 0.00 0.02 0.00 0.00 54.97 55.18 1xru s GLU 173 Cb -0.05 -3.33 -0.04 0.00 0.10 0.00 0.00 34.13 30.80 1xru s GLU 173 CO 0.08 0.47 0.01 0.95 0.02 0.00 0.00 175.26 176.79 1xru s THR 174 N -0.21 0.44 -0.05 3.63 -4.23 -1.26 -4.82 115.64 109.14 1xru s THR 174 Ca 0.16 -1.94 -0.25 0.00 -1.18 0.00 0.00 61.69 58.49 1xru s THR 174 Cb -0.13 -2.01 -0.20 0.00 1.34 0.00 0.00 72.50 71.50 1xru s THR 174 CO 0.05 -0.55 1.04 0.00 -0.54 0.00 0.00 174.62 174.62 1xru n GLN 176 N -4.84 0.00 -3.21 0.00 10.64 -1.26 -4.98 117.38 113.73 1xru n GLN 176 Ca -0.08 0.00 -0.39 0.00 -1.83 0.00 0.00 57.00 54.70 1xru n GLN 176 Cb 0.30 -0.01 -0.06 0.00 -0.86 0.00 0.00 30.24 29.61 1xru n GLN 176 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1xru s LEU 177 N 0.00 4.43 0.26 2.61 2.96 -1.26 -4.15 118.68 123.53 1xru s LEU 177 Ca 0.00 1.18 0.01 0.00 -0.22 0.00 0.00 54.13 55.10 1xru s LEU 177 Cb 0.00 -2.92 -0.04 0.00 0.50 0.00 0.00 46.19 43.73 1xru s LEU 177 CO 0.00 0.13 0.13 -0.94 -1.32 0.00 0.00 176.35 174.34 1xru s SER 178 N -0.33 1.00 0.00 3.68 1.04 -1.26 -4.77 113.70 113.06 1xru s SER 178 Ca 0.31 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 55.30 1xru s SER 178 Cb -0.18 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1xru s SER 178 CO 0.17 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.20 1xru n GLY 180 N -0.44 1.23 3.02 7.32 0.00 -0.70 -4.34 105.19 111.27 1xru n GLY 180 Ca 0.01 -0.86 -0.27 0.00 0.00 0.00 0.00 46.02 44.90 1xru n GLY 180 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xru s LEU 181 N 0.00 1.61 -0.11 0.99 0.20 0.13 -1.40 118.68 120.09 1xru s LEU 181 Ca 0.00 -0.36 0.04 0.00 0.69 0.00 0.00 54.13 54.50 1xru s LEU 181 Cb 0.00 -0.95 0.00 0.00 -0.43 0.00 0.00 46.19 44.81 1xru s LEU 181 CO 0.00 0.00 -0.23 -0.89 -0.29 0.00 0.00 176.35 174.94 1xru s THR 182 N 0.97 2.05 -0.21 3.68 2.01 -0.08 -0.59 115.64 123.47 1xru s THR 182 Ca -0.08 -1.00 -0.02 0.00 0.31 0.00 0.00 61.69 60.90 1xru s THR 182 Cb -0.15 -1.78 0.00 0.00 0.01 0.00 0.00 72.50 70.58 1xru s THR 182 CO -0.00 0.55 -0.10 -0.70 -0.69 0.00 0.00 174.62 173.68 1xru s GLU 183 N 0.48 3.22 0.24 4.92 2.12 -0.60 -1.46 118.70 127.62 1xru s GLU 183 Ca -0.16 -0.71 -0.30 0.00 0.36 0.00 0.00 54.97 54.17 1xru s GLU 183 Cb -0.17 -2.86 -0.09 0.00 0.26 0.00 0.00 34.13 31.27 1xru s GLU 183 CO 0.06 -0.21 0.99 -0.51 -0.54 0.00 0.00 175.26 175.05 1xru s LEU 184 N 1.41 4.61 0.64 2.70 1.43 -0.79 -1.18 118.68 127.50 1xru s LEU 184 Ca 0.05 2.03 -0.16 0.00 -1.03 0.00 0.00 54.13 55.03 1xru s LEU 184 Cb -0.14 -3.61 -0.01 0.00 0.03 0.00 0.00 46.19 42.46 1xru s LEU 184 CO -0.07 0.05 1.11 0.00 0.23 0.00 0.00 176.35 177.67 1xru s ALA 185 N -1.04 2.50 0.24 4.21 0.00 -0.21 -4.48 121.76 122.98 1xru s ALA 185 Ca 0.43 0.58 -0.31 0.00 0.00 0.00 0.00 51.96 52.67 1xru s ALA 185 Cb -0.28 -3.32 -0.14 0.00 0.00 0.00 0.00 23.12 19.38 1xru s ALA 185 CO 0.34 -1.21 1.24 -2.30 0.00 0.00 0.00 175.76 173.83 1xru n PRO 186 N -2.27 1.66 -0.54 0.00 -0.02 -1.26 -1.22 135.00 131.35 1xru n PRO 186 Ca 0.11 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 1xru n PRO 186 Cb 0.52 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1xru n PRO 186 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xru n GLY 187 N 1.74 1.30 3.55 -1.23 0.00 -1.26 -5.00 105.19 104.30 1xru n GLY 187 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1xru n GLY 187 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xru s ASN 188 N -3.16 4.80 -0.01 1.61 0.01 -0.36 -4.92 114.94 112.91 1xru s ASN 188 Ca 0.00 -0.05 0.02 0.00 -0.71 0.00 0.00 52.86 52.11 1xru s ASN 188 Cb 0.00 -1.53 -0.03 0.00 0.41 0.00 0.00 41.25 40.10 1xru s ASN 188 CO 0.00 0.27 0.02 0.18 -1.51 0.00 0.00 177.10 176.06 1xru n LEU 189 N 2.88 0.00 -4.74 0.60 4.77 -0.74 -3.94 117.00 115.83 1xru n LEU 189 Ca -0.18 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.42 1xru n LEU 189 Cb 0.53 0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.59 1xru n LEU 189 CO 0.30 0.03 0.21 0.26 -1.33 0.00 0.00 177.39 176.86 1xru s TRP 190 N -2.08 3.57 0.14 -1.77 0.52 -0.13 -2.31 118.94 116.89 1xru s TRP 190 Ca -0.01 0.99 0.11 0.00 0.02 0.00 0.00 56.10 57.21 1xru s TRP 190 Cb 0.01 -2.56 -0.04 0.00 -1.15 0.00 0.00 33.47 29.73 1xru s TRP 190 CO 0.08 0.24 -0.26 0.54 0.02 0.00 0.00 176.95 177.57 1xru s ASN 191 N 0.34 3.25 -0.12 2.95 2.20 -0.62 -4.53 114.94 118.40 1xru s ASN 191 Ca 0.28 -0.77 -0.05 0.00 -0.94 0.00 0.00 52.86 51.38 1xru s ASN 191 Cb -0.16 -0.22 0.02 0.00 -2.00 0.00 0.00 41.25 38.89 1xru s ASN 191 CO 0.12 0.15 0.11 0.41 -2.94 0.00 0.00 177.10 174.96 1xru n THR 192 N 0.81 -7.73 -0.73 0.54 -1.04 -1.26 -3.29 114.28 101.58 1xru n THR 192 Ca -0.17 1.51 -0.26 0.00 -2.04 0.00 0.00 64.05 63.09 1xru n THR 192 Cb 0.54 -4.89 0.03 0.00 -1.82 0.00 0.00 70.33 64.18 1xru n THR 192 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1xru n PRO 194 N 1.82 0.00 -1.90 -2.82 -0.04 -1.26 -4.70 135.00 126.10 1xru n PRO 194 Ca -0.19 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.13 1xru n PRO 194 Cb 0.34 -0.73 0.08 0.00 -0.04 0.00 0.00 33.50 33.15 1xru n PRO 194 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xru s HIS 196 N -1.89 -0.02 0.03 0.00 -3.43 -1.26 -1.31 115.29 107.41 1xru s HIS 196 Ca 0.43 -0.49 -0.02 0.00 -0.80 0.00 0.00 55.06 54.18 1xru s HIS 196 Cb -0.02 0.75 -0.02 0.00 -1.43 0.00 0.00 32.58 31.85 1xru s HIS 196 CO 0.28 -1.26 0.01 0.95 -2.00 0.00 0.00 174.74 172.73 1xru s THR 197 N -2.94 0.15 -0.20 -5.38 -4.23 -0.93 -4.31 115.64 97.79 1xru s THR 197 Ca 0.15 -1.23 -0.04 0.00 -1.18 0.00 0.00 61.69 59.39 1xru s THR 197 Cb -0.04 -0.83 0.10 0.00 1.34 0.00 0.00 72.50 73.06 1xru s THR 197 CO 0.08 -0.68 0.24 -1.38 -0.54 0.00 0.00 174.62 172.34 1xru s HIS 198 N -2.53 -0.35 0.42 3.99 -3.43 -1.24 -0.27 115.29 111.87 1xru s HIS 198 Ca -0.06 0.34 0.11 0.00 -0.80 0.00 0.00 55.06 54.65 1xru s HIS 198 Cb -0.02 -0.30 0.95 0.00 -1.43 0.00 0.00 32.58 31.78 1xru s HIS 198 CO -0.05 -0.60 2.01 0.93 -2.00 0.00 0.00 174.74 175.03 1xru h GLU 199 N 8.29 0.47 -0.28 -0.38 4.39 -1.88 -2.98 114.58 122.22 1xru h GLU 199 Ca -0.17 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.50 1xru h GLU 199 Cb 1.15 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 1xru h GLU 199 CO 0.27 0.31 0.00 0.54 -1.16 0.00 0.00 179.01 178.97 1xru n ARG 200 N -4.47 2.02 -0.20 2.33 1.74 -1.26 -4.88 116.66 111.93 1xru n ARG 200 Ca 0.07 -1.54 0.00 0.00 -0.77 0.00 0.00 57.85 55.61 1xru n ARG 200 Cb 0.25 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 1xru n ARG 200 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1xru n ARG 201 N 0.76 0.00 -3.50 5.56 1.74 -1.13 -1.75 116.66 118.34 1xru n ARG 201 Ca 0.17 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.12 1xru n ARG 201 Cb 0.42 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.82 1xru n ARG 201 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1xru s GLU 203 N 0.64 0.96 -0.07 5.56 2.02 -1.24 -4.45 118.70 122.11 1xru s GLU 203 Ca 0.00 -0.05 0.02 0.00 0.02 0.00 0.00 54.97 54.96 1xru s GLU 203 Cb 0.00 0.45 0.01 0.00 0.10 0.00 0.00 34.13 34.69 1xru s GLU 203 CO 0.00 -0.36 -0.12 0.08 0.02 0.00 0.00 175.26 174.88 1xru s VAL 204 N -2.18 1.16 -0.08 2.63 1.01 -0.24 -1.67 120.40 121.03 1xru s VAL 204 Ca -0.03 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 1xru s VAL 204 Cb -0.01 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 1xru s VAL 204 CO -0.01 0.36 -0.01 -0.31 0.00 0.00 0.00 175.10 175.13 1xru s TYR 205 N 0.76 3.11 -0.15 5.22 1.51 -0.61 -1.21 117.35 125.98 1xru s TYR 205 Ca -0.13 0.15 -0.00 0.00 -1.01 0.00 0.00 57.07 56.08 1xru s TYR 205 Cb -0.16 -1.76 0.03 0.00 -0.11 0.00 0.00 41.96 39.97 1xru s TYR 205 CO 0.03 0.44 -0.08 0.12 -1.11 0.00 0.00 175.55 174.95 1xru s PHE 206 N -0.88 1.72 -0.13 2.71 5.36 0.13 -0.58 117.98 126.31 1xru s PHE 206 Ca 0.13 -1.00 -0.07 0.00 -0.96 0.00 0.00 56.93 55.03 1xru s PHE 206 Cb -0.11 -1.34 -0.04 0.00 -0.34 0.00 0.00 43.02 41.19 1xru s PHE 206 CO 0.03 -0.59 0.13 0.71 -1.46 0.00 0.00 175.22 174.03 1xru s TYR 207 N 1.63 3.54 0.18 10.12 1.51 -0.62 -0.64 117.35 133.07 1xru s TYR 207 Ca 0.03 0.47 -0.05 0.00 -1.01 0.00 0.00 57.07 56.51 1xru s TYR 207 Cb -0.14 -1.98 0.02 0.00 -0.11 0.00 0.00 41.96 39.75 1xru s TYR 207 CO -0.08 0.64 0.33 1.97 -1.11 0.00 0.00 175.55 177.30 1xru n PHE 208 N 2.30 -1.43 -2.79 2.71 1.16 -0.30 0.31 117.46 119.42 1xru n PHE 208 Ca -0.19 -0.96 -0.03 0.00 -1.87 0.00 0.00 57.45 54.39 1xru n PHE 208 Cb 0.54 0.39 0.00 0.00 -1.61 0.00 0.00 39.48 38.81 1xru n PHE 208 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1xru n ASN 209 N -1.45 -7.93 -4.60 5.98 3.02 -1.26 -2.01 115.26 107.01 1xru n ASN 209 Ca -0.03 1.12 -0.25 0.00 -0.03 0.00 0.00 54.58 55.39 1xru n ASN 209 Cb 0.28 -5.15 -0.08 0.00 -0.61 0.00 0.00 39.78 34.22 1xru n ASN 209 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1xru s ASP 211 N -1.88 4.36 0.60 6.41 1.01 -1.26 -4.57 116.67 121.35 1xru s ASP 211 Ca 0.08 -0.63 0.37 0.00 0.71 0.00 0.00 52.55 53.07 1xru s ASP 211 Cb -0.02 -0.76 1.94 0.00 1.01 0.00 0.00 42.92 45.08 1xru s ASP 211 CO 0.75 0.05 2.22 0.44 0.21 0.00 0.00 175.17 178.84 1xru h ASP 212 N 2.38 0.00 -0.62 0.27 3.32 -2.04 -2.13 116.42 117.59 1xru h ASP 212 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1xru h ASP 212 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1xru h ASP 212 CO 0.58 0.03 0.00 -0.90 -1.72 0.00 0.00 179.24 177.22 1xru n ASP 213 N -3.30 4.57 -4.65 6.45 5.75 -1.26 -4.97 116.55 119.15 1xru n ASP 213 Ca -0.02 -2.42 -0.25 0.00 -0.01 0.00 0.00 54.79 52.09 1xru n ASP 213 Cb 0.16 -0.55 -0.09 0.00 -1.03 0.00 0.00 41.12 39.61 1xru n ASP 213 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xru s ALA 214 N -1.78 3.29 0.33 2.12 0.00 -0.80 -5.07 121.76 119.85 1xru s ALA 214 Ca 0.49 -2.07 -0.11 0.00 0.00 0.00 0.00 51.96 50.27 1xru s ALA 214 Cb 0.31 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.20 1xru s ALA 214 CO 0.24 -0.03 0.61 0.00 0.00 0.00 0.00 175.76 176.58 1xru s VAL 216 N -3.05 0.73 -0.62 0.00 1.01 -1.26 -1.70 120.40 115.50 1xru s VAL 216 Ca 0.22 -0.23 -0.20 0.00 0.00 0.00 0.00 61.98 61.76 1xru s VAL 216 Cb -0.03 -0.72 0.09 0.00 0.00 0.00 0.00 36.38 35.73 1xru s VAL 216 CO 0.14 0.27 0.80 -0.36 0.00 0.00 0.00 175.10 175.94 1xru s PHE 217 N 0.86 2.88 0.00 5.22 0.40 0.17 -4.31 117.98 123.21 1xru s PHE 217 Ca -0.12 -0.82 0.00 0.00 -0.60 0.00 0.00 56.93 55.39 1xru s PHE 217 Cb -0.15 -4.12 0.00 0.00 0.51 0.00 0.00 43.02 39.27 1xru s PHE 217 CO 0.01 -1.42 0.00 1.58 0.70 0.00 0.00 175.22 176.09 1xru n HIS 218 N 6.81 0.00 0.00 0.36 -0.00 -0.30 -1.89 115.22 120.20 1xru n HIS 218 Ca -0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.11 1xru n HIS 218 Cb 0.43 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.30 1xru n HIS 218 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1xru n GLY 221 N 5.00 1.52 3.76 1.57 0.00 -1.26 -1.43 105.19 114.36 1xru n GLY 221 Ca 0.00 -2.15 -0.36 0.00 0.00 0.00 0.00 46.02 43.51 1xru n GLY 221 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xru s GLN 222 N -1.61 3.17 0.35 1.61 -0.21 -1.25 -1.47 119.66 120.24 1xru s GLN 222 Ca 0.00 1.81 0.14 0.00 0.02 0.00 0.00 55.36 57.33 1xru s GLN 222 Cb 0.00 -2.03 1.04 0.00 1.00 0.00 0.00 33.01 33.01 1xru s GLN 222 CO 0.00 -1.05 1.70 -1.35 -2.12 0.00 0.00 175.29 172.47 1xru h PRO 223 N 1.15 0.40 -0.22 2.91 0.11 -1.98 0.12 132.00 134.49 1xru h PRO 223 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1xru h PRO 223 Cb 1.28 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1xru h PRO 223 CO 0.56 0.27 0.00 1.04 -0.21 0.00 0.00 178.00 179.66 1xru n GLN 224 N -4.92 2.04 -2.76 1.05 1.13 -1.26 -4.24 117.38 108.42 1xru n GLN 224 Ca 0.30 -1.56 -0.10 0.00 -1.94 0.00 0.00 57.00 53.69 1xru n GLN 224 Cb 0.91 -1.44 0.03 0.00 0.11 0.00 0.00 30.24 29.84 1xru n GLN 224 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1xru n GLU 225 N 0.79 1.11 -2.26 -1.09 4.07 0.36 -5.12 120.64 118.51 1xru n GLU 225 Ca 0.17 -3.14 -0.34 0.00 -0.06 0.00 0.00 57.16 53.79 1xru n GLU 225 Cb 0.45 -1.23 -0.00 0.00 -0.06 0.00 0.00 31.44 30.59 1xru n GLU 225 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 1xru s THR 226 N -2.69 3.41 0.27 6.31 -4.23 -0.96 -3.79 115.64 113.97 1xru s THR 226 Ca 0.29 0.83 0.03 0.00 -1.18 0.00 0.00 61.69 61.65 1xru s THR 226 Cb 0.43 -3.32 -0.04 0.00 1.34 0.00 0.00 72.50 70.91 1xru s THR 226 CO 0.01 -0.24 0.17 -0.13 -0.54 0.00 0.00 174.62 173.89 1xru s ARG 227 N -3.45 1.48 0.04 3.99 1.81 -1.26 -4.98 118.95 116.58 1xru s ARG 227 Ca 0.70 -1.83 -0.04 0.00 -1.72 0.00 0.00 55.73 52.84 1xru s ARG 227 Cb -0.21 0.13 -0.02 0.00 -0.45 0.00 0.00 34.95 34.41 1xru s ARG 227 CO 0.28 -0.47 0.05 -3.38 -0.68 0.00 0.00 175.30 171.10 1xru s HIS 228 N -3.78 0.27 -0.08 -0.53 -3.43 -1.26 -4.65 115.29 101.84 1xru s HIS 228 Ca 0.38 -0.61 0.02 0.00 -0.80 0.00 0.00 55.06 54.06 1xru s HIS 228 Cb 0.05 -0.19 0.01 0.00 -1.43 0.00 0.00 32.58 31.02 1xru s HIS 228 CO 0.18 -0.34 -0.13 0.42 -2.00 0.00 0.00 174.74 172.87 1xru s ILE 229 N -2.65 1.26 0.33 -5.38 1.01 -0.51 -4.96 121.20 110.29 1xru s ILE 229 Ca -0.05 -0.53 -0.04 0.00 0.00 0.00 0.00 60.65 60.03 1xru s ILE 229 Cb -0.01 -1.15 -0.05 0.00 0.01 0.00 0.00 42.46 41.27 1xru s ILE 229 CO -0.05 0.39 0.60 -0.69 0.00 0.00 0.00 174.94 175.18 1xru s VAL 230 N 0.75 5.01 0.38 2.92 1.01 -1.26 -1.16 120.40 128.05 1xru s VAL 230 Ca -0.13 0.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.78 1xru s VAL 230 Cb -0.16 -3.77 0.04 0.00 0.00 0.00 0.00 36.38 32.49 1xru s VAL 230 CO 0.03 -0.44 0.68 0.00 0.00 0.00 0.00 175.10 175.37 1xru n HIS 232 N -1.27 -2.05 -1.53 5.22 1.44 -1.26 -4.94 115.22 110.84 1xru n HIS 232 Ca -0.02 -2.05 -0.54 0.00 -2.01 0.00 0.00 57.72 53.10 1xru n HIS 232 Cb 0.54 0.79 -0.06 0.00 0.12 0.00 0.00 29.99 31.39 1xru n HIS 232 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 1xru n ASN 233 N -1.56 0.50 -3.46 4.39 5.15 -1.26 -3.22 115.26 115.80 1xru n ASN 233 Ca -0.05 1.14 -0.19 0.00 -0.60 0.00 0.00 54.58 54.88 1xru n ASN 233 Cb 0.59 -1.04 0.07 0.00 -0.53 0.00 0.00 39.78 38.87 1xru n ASN 233 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1xru n GLU 234 N 1.74 -4.38 -4.24 1.20 1.02 0.15 -4.97 120.64 111.16 1xru n GLU 234 Ca 0.18 0.77 -0.19 0.00 -0.02 0.00 0.00 57.16 57.90 1xru n GLU 234 Cb 0.16 -5.54 -0.12 0.00 -0.02 0.00 0.00 31.44 25.92 1xru n GLU 234 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1xru s GLN 235 N -5.26 0.84 0.27 3.49 -0.21 -1.07 -3.98 119.66 113.73 1xru s GLN 235 Ca 0.19 -0.86 0.11 0.00 0.02 0.00 0.00 55.36 54.82 1xru s GLN 235 Cb -0.03 -0.84 -0.05 0.00 1.00 0.00 0.00 33.01 33.09 1xru s GLN 235 CO 0.76 0.20 -0.10 0.00 -2.12 0.00 0.00 175.29 174.03 1xru s ALA 236 N -1.09 2.96 -0.02 6.09 0.00 -0.80 -1.59 121.76 127.30 1xru s ALA 236 Ca -0.01 -1.74 0.00 0.00 0.00 0.00 0.00 51.96 50.21 1xru s ALA 236 Cb -0.09 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.51 1xru s ALA 236 CO 0.02 0.28 0.00 0.54 0.00 0.00 0.00 175.76 176.60 1xru s VAL 237 N -2.37 0.10 -0.12 0.00 0.11 0.26 -0.78 120.40 117.60 1xru s VAL 237 Ca 0.30 0.07 -0.17 0.00 -2.93 0.00 0.00 61.98 59.26 1xru s VAL 237 Cb -0.06 -0.17 -0.04 0.00 -1.53 0.00 0.00 36.38 34.58 1xru s VAL 237 CO 0.17 0.10 0.42 -0.63 -3.33 0.00 0.00 175.10 171.83 1xru s ILE 238 N 0.69 5.21 -0.24 7.04 1.01 -0.32 -1.57 121.20 133.02 1xru s ILE 238 Ca -0.06 0.83 0.00 0.00 0.00 0.00 0.00 60.65 61.41 1xru s ILE 238 Cb -0.09 -3.76 0.03 0.00 0.01 0.00 0.00 42.46 38.65 1xru s ILE 238 CO -0.02 0.36 -0.10 -0.55 0.00 0.00 0.00 174.94 174.63 1xru s SER 239 N 0.47 4.09 0.88 3.58 0.15 -0.67 -4.82 113.70 117.38 1xru s SER 239 Ca 0.23 -0.96 -0.11 0.00 0.70 0.00 0.00 55.95 55.81 1xru s SER 239 Cb -0.15 -1.60 0.12 0.00 -1.71 0.00 0.00 66.02 62.69 1xru s SER 239 CO 0.09 -0.12 1.17 -2.84 1.20 0.00 0.00 173.24 172.74 1xru s PRO 240 N 1.26 1.22 0.54 5.44 0.02 -1.26 -3.73 135.00 138.49 1xru s PRO 240 Ca -0.01 1.62 0.23 0.00 0.02 0.00 0.00 61.00 62.87 1xru s PRO 240 Cb -0.17 -1.74 1.49 0.00 0.02 0.00 0.00 34.50 34.10 1xru s PRO 240 CO -0.06 -2.50 2.16 0.77 -0.33 0.00 0.00 177.00 177.04 1xru h SER 241 N -1.55 0.00 0.06 2.53 0.02 -1.84 -1.37 113.55 111.39 1xru h SER 241 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1xru h SER 241 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1xru h SER 241 CO 0.43 0.05 -0.02 -2.67 -1.14 0.00 0.00 176.83 173.47 1xru n TRP 242 N -4.08 0.00 -4.06 3.45 4.27 -1.26 -3.63 117.44 112.12 1xru n TRP 242 Ca -0.03 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.29 1xru n TRP 242 Cb 0.13 -0.03 -0.06 0.00 -1.36 0.00 0.00 31.31 29.99 1xru n TRP 242 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1xru s SER 243 N -2.09 5.50 0.77 -0.67 0.15 -0.52 -4.05 113.70 112.80 1xru s SER 243 Ca 0.40 -0.05 -0.07 0.00 0.70 0.00 0.00 55.95 56.93 1xru s SER 243 Cb 0.21 -1.46 0.12 0.00 -1.71 0.00 0.00 66.02 63.18 1xru s SER 243 CO 0.37 0.14 1.08 0.27 1.20 0.00 0.00 173.24 176.31 1xru s ILE 244 N -1.48 2.17 -0.29 6.45 -4.36 -0.54 -4.71 121.20 118.44 1xru s ILE 244 Ca 0.30 -0.31 0.04 0.00 -0.26 0.00 0.00 60.65 60.42 1xru s ILE 244 Cb -0.12 -2.87 0.18 0.00 1.25 0.00 0.00 42.46 40.91 1xru s ILE 244 CO 0.22 0.00 0.51 -1.38 0.24 0.00 0.00 174.94 174.53 1xru s HIS 245 N -3.37 -1.50 -0.09 1.37 -3.43 -1.26 -4.06 115.29 102.96 1xru s HIS 245 Ca 0.65 0.74 -0.06 0.00 -0.80 0.00 0.00 55.06 55.60 1xru s HIS 245 Cb -0.07 0.11 0.03 0.00 -1.43 0.00 0.00 32.58 31.22 1xru s HIS 245 CO 0.46 -1.05 0.22 -1.12 -2.00 0.00 0.00 174.74 171.26 1xru s SER 246 N 2.69 -0.22 0.13 7.38 0.01 -1.26 -4.77 113.70 117.65 1xru s SER 246 Ca 0.10 0.45 0.07 0.00 1.31 0.00 0.00 55.95 57.88 1xru s SER 246 Cb -0.11 0.39 -0.04 0.00 0.21 0.00 0.00 66.02 66.48 1xru s SER 246 CO -0.28 -0.12 -0.16 -0.83 0.41 0.00 0.00 173.24 172.26 1xru s GLY 247 N 0.67 1.19 -0.08 3.44 0.00 -1.21 -4.53 107.32 106.81 1xru s GLY 247 Ca -0.05 -1.34 -0.00 0.00 0.00 0.00 0.00 44.72 43.33 1xru s GLY 247 CO -0.04 -1.38 -0.04 0.54 0.00 0.00 0.00 173.10 172.17 1xru s VAL 248 N -1.94 0.68 0.68 1.40 0.11 -0.79 -1.60 120.40 118.95 1xru s VAL 248 Ca 0.10 -0.12 -0.01 0.00 -2.93 0.00 0.00 61.98 59.03 1xru s VAL 248 Cb -0.06 -0.74 0.10 0.00 -1.53 0.00 0.00 36.38 34.15 1xru s VAL 248 CO 0.04 0.29 0.95 -0.83 -3.33 0.00 0.00 175.10 172.23 1xru s GLY 249 N 1.52 1.77 0.00 6.54 0.00 -0.98 -0.65 107.32 115.53 1xru s GLY 249 Ca -0.01 -1.55 0.23 0.00 0.00 0.00 0.00 44.72 43.39 1xru s GLY 249 CO -0.04 -1.06 1.16 -1.30 0.00 0.00 0.00 173.10 171.86 1xru n THR 250 N -2.75 0.01 -3.73 0.90 -2.24 -0.69 -4.86 114.28 100.92 1xru n THR 250 Ca 0.13 -0.01 -0.10 0.00 -2.27 0.00 0.00 64.05 61.80 1xru n THR 250 Cb 0.60 0.60 -0.04 0.00 -2.10 0.00 0.00 70.33 69.39 1xru n THR 250 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1xru s LYS 251 N -3.01 1.37 0.84 -0.78 1.02 -1.26 -4.99 119.74 112.93 1xru s LYS 251 Ca 0.09 -0.85 -0.12 0.00 0.02 0.00 0.00 55.97 55.11 1xru s LYS 251 Cb 0.17 0.52 0.10 0.00 -0.52 0.00 0.00 37.83 38.10 1xru s LYS 251 CO 0.78 -0.58 1.19 0.00 -0.92 0.00 0.00 175.35 175.82 1xru s ALA 252 N -3.87 1.74 0.40 5.17 0.00 -1.25 -4.84 121.76 119.11 1xru s ALA 252 Ca 0.09 0.77 -0.15 0.00 0.00 0.00 0.00 51.96 52.68 1xru s ALA 252 Cb -0.01 -3.48 0.06 0.00 0.00 0.00 0.00 23.12 19.69 1xru s ALA 252 CO -0.03 -2.42 0.79 1.52 0.00 0.00 0.00 175.76 175.62 1xru s TYR 253 N -2.29 0.19 0.11 0.00 -0.85 -1.26 -4.83 117.35 108.43 1xru s TYR 253 Ca 0.71 -0.89 0.07 0.00 -0.52 0.00 0.00 57.07 56.45 1xru s TYR 253 Cb -0.27 0.83 -0.04 0.00 0.38 0.00 0.00 41.96 42.86 1xru s TYR 253 CO 0.53 -1.60 -0.18 0.99 -1.52 0.00 0.00 175.55 173.76 1xru s THR 254 N -2.12 1.55 0.07 -3.49 2.01 -0.85 -1.88 115.64 110.93 1xru s THR 254 Ca 0.17 -1.61 -0.13 0.00 0.31 0.00 0.00 61.69 60.43 1xru s THR 254 Cb -0.05 -1.52 0.02 0.00 0.01 0.00 0.00 72.50 70.96 1xru s THR 254 CO 0.12 -0.21 0.31 0.72 -0.69 0.00 0.00 174.62 174.87 1xru s PHE 255 N -1.54 -0.08 -0.06 4.92 -0.12 -0.53 -1.14 117.98 119.42 1xru s PHE 255 Ca 0.07 -0.17 0.05 0.00 -0.05 0.00 0.00 56.93 56.83 1xru s PHE 255 Cb -0.08 0.11 -0.01 0.00 -0.63 0.00 0.00 43.02 42.40 1xru s PHE 255 CO 0.04 -0.57 -0.22 0.42 -0.05 0.00 0.00 175.22 174.84 1xru s ILE 256 N -3.17 2.29 0.02 -4.49 1.01 0.19 -0.90 121.20 116.14 1xru s ILE 256 Ca -0.01 -0.98 0.05 0.00 0.00 0.00 0.00 60.65 59.71 1xru s ILE 256 Cb 0.01 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 1xru s ILE 256 CO -0.07 0.57 -0.10 -1.66 0.00 0.00 0.00 174.94 173.68 1xru s TRP 257 N -0.18 2.79 0.37 3.97 1.48 -0.49 -0.69 118.94 126.19 1xru s TRP 257 Ca -0.03 -0.11 0.04 0.00 -1.06 0.00 0.00 56.10 54.95 1xru s TRP 257 Cb -0.14 -1.56 -0.03 0.00 -1.16 0.00 0.00 33.47 30.59 1xru s TRP 257 CO 0.04 0.35 0.13 0.20 -4.06 0.00 0.00 176.95 173.60 1xru s GLY 258 N -1.50 2.41 0.00 3.67 0.00 -0.35 -1.73 107.32 109.83 1xru s GLY 258 Ca 0.17 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.40 1xru s GLY 258 CO 0.08 -1.76 0.00 3.33 0.00 0.00 0.00 173.10 174.74 1xru n VAL 260 N -0.80 0.00 -2.95 1.40 0.24 -1.26 -1.08 118.33 113.88 1xru n VAL 260 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.27 1xru n VAL 260 Cb 0.65 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 1xru n VAL 260 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xru n GLY 261 N -0.35 -0.50 0.19 7.63 0.00 -1.26 -4.40 105.19 106.50 1xru n GLY 261 Ca 0.00 -1.37 0.14 0.00 0.00 0.00 0.00 46.02 44.78 1xru n GLY 261 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1xru n GLU 262 N 0.00 0.82 -3.92 1.61 0.28 -0.72 -4.86 120.64 113.86 1xru n GLU 262 Ca 0.00 -0.37 -0.09 0.00 -0.16 0.00 0.00 57.16 56.53 1xru n GLU 262 Cb 0.00 -1.49 -0.05 0.00 1.43 0.00 0.00 31.44 31.32 1xru n GLU 262 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1xru s ASN 263 N -2.44 -0.09 -0.27 -1.84 2.20 -1.26 -5.05 114.94 106.18 1xru s ASN 263 Ca 0.28 -0.79 0.10 0.00 -0.94 0.00 0.00 52.86 51.51 1xru s ASN 263 Cb 0.20 0.54 0.46 0.00 -2.00 0.00 0.00 41.25 40.45 1xru s ASN 263 CO 0.48 -1.04 1.18 0.00 -2.94 0.00 0.00 177.10 174.78 1xru n GLN 264 N -0.32 3.09 -3.15 3.55 6.02 -1.26 -4.92 117.38 120.40 1xru n GLN 264 Ca -0.06 -3.96 -0.45 0.00 -0.01 0.00 0.00 57.00 52.52 1xru n GLN 264 Cb 0.62 -2.08 -0.03 0.00 1.02 0.00 0.00 30.24 29.77 1xru n GLN 264 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1xru s VAL 265 N -4.28 5.11 -0.00 5.09 1.01 -1.26 -4.90 120.40 121.16 1xru s VAL 265 Ca 0.46 -1.73 0.30 0.00 0.00 0.00 0.00 61.98 61.00 1xru s VAL 265 Cb 0.39 -4.56 0.31 0.00 0.00 0.00 0.00 36.38 32.52 1xru s VAL 265 CO 0.01 -1.19 1.90 -0.26 0.00 0.00 0.00 175.10 175.56 1xru h PHE 266 N 8.55 0.00 -0.01 5.22 -1.00 -2.06 -0.44 116.94 127.20 1xru h PHE 266 Ca -0.02 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.76 1xru h PHE 266 Cb 1.05 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.61 1xru h PHE 266 CO 1.00 0.00 -0.20 -0.40 -1.61 0.00 0.00 178.31 177.10 1xru n ASP 267 N -2.58 1.57 -4.51 2.17 5.68 -1.26 -5.08 116.55 112.54 1xru n ASP 267 Ca -0.01 -1.30 -0.42 0.00 -0.50 0.00 0.00 54.79 52.56 1xru n ASP 267 Cb 0.12 0.15 -0.03 0.00 -1.14 0.00 0.00 41.12 40.22 1xru n ASP 267 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1xru s ASP 268 N -2.31 6.34 -0.26 -1.12 2.15 -0.18 -5.06 116.67 116.24 1xru s ASP 268 Ca 0.27 -1.17 0.01 0.00 0.43 0.00 0.00 52.55 52.09 1xru s ASP 268 Cb 0.20 -2.49 0.07 0.00 -0.30 0.00 0.00 42.92 40.39 1xru s ASP 268 CO 0.46 -1.49 -0.04 -0.62 -0.17 0.00 0.00 175.17 173.31 1xru s ASP 270 N 4.03 4.11 0.22 -0.34 -1.08 0.63 -4.81 116.67 119.42 1xru s ASP 270 Ca 0.34 -1.39 -0.30 0.00 -0.52 0.00 0.00 52.55 50.68 1xru s ASP 270 Cb -0.08 -1.29 -0.09 0.00 -1.46 0.00 0.00 42.92 40.01 1xru s ASP 270 CO 0.02 -0.26 1.24 -1.00 0.52 0.00 0.00 175.17 175.69 1xru s HIS 271 N 1.29 3.34 -0.24 -5.34 3.76 -1.26 -2.20 115.29 114.64 1xru s HIS 271 Ca -0.03 1.38 0.02 0.00 -0.15 0.00 0.00 55.06 56.28 1xru s HIS 271 Cb -0.19 -3.51 0.06 0.00 1.11 0.00 0.00 32.58 30.05 1xru s HIS 271 CO -0.08 -1.45 -0.08 0.08 -0.85 0.00 0.00 174.74 172.36 1xru s VAL 272 N -0.27 1.79 0.16 -0.90 1.01 -0.43 -4.98 120.40 116.78 1xru s VAL 272 Ca 0.53 -1.34 -0.30 0.00 0.00 0.00 0.00 61.98 60.86 1xru s VAL 272 Cb -0.35 -1.96 -0.08 0.00 0.00 0.00 0.00 36.38 33.99 1xru s VAL 272 CO 0.40 -0.02 1.32 0.00 0.00 0.00 0.00 175.10 176.79 1xru s ALA 273 N 1.29 3.53 0.56 5.51 0.00 -1.26 -3.38 121.76 128.01 1xru s ALA 273 Ca -0.06 1.08 0.27 0.00 0.00 0.00 0.00 51.96 53.25 1xru s ALA 273 Cb -0.19 -3.49 1.49 0.00 0.00 0.00 0.00 23.12 20.93 1xru s ALA 273 CO -0.06 -0.54 2.00 -0.24 0.00 0.00 0.00 175.76 176.92 1xru h VAL 274 N 3.99 0.56 0.00 0.00 3.04 -1.97 0.13 116.25 122.00 1xru h VAL 274 Ca -0.44 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.25 1xru h VAL 274 Cb 1.21 0.74 -0.00 0.00 -2.01 0.00 0.00 31.29 31.23 1xru h VAL 274 CO 0.81 0.00 -0.01 0.07 -1.01 0.00 0.00 177.57 177.42 1xru h LYS 275 N 0.00 0.00 -0.05 4.17 2.10 -1.92 -2.05 116.57 118.82 1xru h LYS 275 Ca 0.19 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.69 1xru h LYS 275 Cb 0.88 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.20 1xru h LYS 275 CO -0.00 0.01 -0.65 0.93 -2.00 0.00 0.00 179.45 177.74 1xru h GLU 276 N 0.00 0.21 -0.29 0.07 5.08 -1.10 -3.16 114.58 115.39 1xru h GLU 276 Ca -0.00 -0.16 -0.12 0.00 -1.00 0.00 0.00 59.36 58.08 1xru h GLU 276 Cb 0.33 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1xru h GLU 276 CO 0.00 0.79 -0.31 0.82 -1.00 0.00 0.00 179.01 179.31 1xru h ILE 277 N 0.15 1.28 -0.02 3.13 1.08 -1.46 -3.48 117.51 118.19 1xru h ILE 277 Ca -0.01 -1.43 0.00 0.00 -0.39 0.00 0.00 64.86 63.03 1xru h ILE 277 Cb 1.17 1.40 0.00 0.00 -3.07 0.00 0.00 36.82 36.32 1xru h ILE 277 CO 0.10 0.46 0.00 0.00 -0.69 0.00 0.00 178.15 178.02