#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xru n SER -1 N 0.00 3.28 -4.77 1.61 2.88 -1.26 -4.90 113.62 110.45 1xru n SER -1 Ca 0.00 1.20 -0.41 0.00 -1.33 0.00 0.00 58.87 58.33 1xru n SER -1 Cb 0.00 -1.56 -0.00 0.00 -0.75 0.00 0.00 64.21 61.90 1xru n SER -1 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xru n ALA 0 N 0.28 2.31 -3.93 -1.46 0.00 -1.26 -5.00 120.51 111.44 1xru n ALA 0 Ca 0.03 0.34 -0.30 0.00 0.00 0.00 0.00 53.44 53.52 1xru n ALA 0 Cb 0.38 -2.41 -0.16 0.00 0.00 0.00 0.00 19.45 17.26 1xru n ALA 0 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1xru s MET 1 N -2.00 1.65 -0.58 0.00 1.00 -1.26 -4.98 119.30 113.12 1xru s MET 1 Ca 0.54 -0.79 -0.28 0.00 0.00 0.00 0.00 55.69 55.16 1xru s MET 1 Cb -0.48 -2.36 0.03 0.00 0.00 0.00 0.00 34.83 32.02 1xru s MET 1 CO 0.63 -0.50 1.23 0.34 0.00 0.00 0.00 175.02 176.71 1xru s ASP 2 N 1.48 6.39 -0.24 3.03 -1.08 -1.26 -4.93 116.67 120.06 1xru s ASP 2 Ca -0.02 0.11 -0.11 0.00 -0.52 0.00 0.00 52.55 52.01 1xru s ASP 2 Cb -0.17 -2.55 -0.05 0.00 -1.46 0.00 0.00 42.92 38.69 1xru s ASP 2 CO -0.07 -1.53 0.18 -0.69 0.52 0.00 0.00 175.17 173.58 1xru s VAL 3 N 5.14 5.34 -0.15 1.11 1.01 -1.26 -0.63 120.40 130.96 1xru s VAL 3 Ca 0.44 0.21 -0.03 0.00 0.00 0.00 0.00 61.98 62.60 1xru s VAL 3 Cb -0.08 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1xru s VAL 3 CO 0.25 0.33 -0.05 -0.13 0.00 0.00 0.00 175.10 175.50 1xru s ARG 4 N 1.17 3.64 0.81 2.72 1.81 0.84 -4.97 118.95 124.98 1xru s ARG 4 Ca 0.08 -0.54 -0.12 0.00 -1.72 0.00 0.00 55.73 53.44 1xru s ARG 4 Cb -0.14 -2.89 0.08 0.00 -0.45 0.00 0.00 34.95 31.55 1xru s ARG 4 CO 0.06 0.24 1.13 -0.65 -0.68 0.00 0.00 175.30 175.39 1xru s GLN 5 N 0.36 1.95 0.74 3.54 -0.21 -1.26 -1.32 119.66 123.46 1xru s GLN 5 Ca -0.05 0.38 -0.12 0.00 0.02 0.00 0.00 55.36 55.60 1xru s GLN 5 Cb -0.14 -1.92 0.03 0.00 1.00 0.00 0.00 33.01 31.97 1xru s GLN 5 CO 0.03 -1.66 1.11 -1.12 -2.12 0.00 0.00 175.29 171.53 1xru s SER 6 N -4.19 5.16 -0.08 5.90 0.01 -1.26 -4.58 113.70 114.66 1xru s SER 6 Ca 0.61 1.12 -0.10 0.00 1.31 0.00 0.00 55.95 58.89 1xru s SER 6 Cb -0.13 -1.87 0.02 0.00 0.21 0.00 0.00 66.02 64.25 1xru s SER 6 CO 0.52 -1.53 0.27 -0.51 0.41 0.00 0.00 173.24 172.40 1xru s ILE 7 N -3.35 0.02 0.23 1.44 2.07 -1.26 -5.05 121.20 115.30 1xru s ILE 7 Ca 0.59 -0.13 -0.26 0.00 -1.41 0.00 0.00 60.65 59.44 1xru s ILE 7 Cb -0.12 -0.42 -0.09 0.00 0.13 0.00 0.00 42.46 41.96 1xru s ILE 7 CO 0.52 -0.07 0.85 -2.28 -1.91 0.00 0.00 174.94 172.05 1xru s HIS 8 N -0.20 3.85 0.41 3.50 5.65 -1.26 -4.95 115.29 122.28 1xru s HIS 8 Ca -0.03 1.72 0.11 0.00 0.25 0.00 0.00 55.06 57.11 1xru s HIS 8 Cb -0.03 -2.84 0.93 0.00 -1.18 0.00 0.00 32.58 29.46 1xru s HIS 8 CO 0.01 0.41 1.96 0.66 -0.65 0.00 0.00 174.74 177.12 1xru h SER 9 N 3.89 0.48 0.55 9.88 4.64 -1.99 -0.84 113.55 130.15 1xru h SER 9 Ca -0.47 0.01 -0.07 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 0.66 0.29 -0.33 0.00 -0.87 0.00 0.00 176.83 176.58 1xru h ALA 10 N 1.66 1.21 0.02 5.18 0.00 -2.00 -2.21 119.26 123.12 1xru h ALA 10 Ca 0.31 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1xru h ALA 10 Cb 0.51 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1xru h ALA 10 CO -0.10 0.42 -0.16 1.25 0.00 0.00 0.00 179.25 180.65 1xru h HIS 11 N 0.00 0.12 -0.91 0.00 -0.00 -1.59 -3.33 115.15 109.44 1xru h HIS 11 Ca -0.00 -0.08 0.10 0.00 -0.00 0.00 0.00 60.37 60.39 1xru h HIS 11 Cb 0.70 -0.01 -0.07 0.00 -0.00 0.00 0.00 27.41 28.03 1xru h HIS 11 CO 0.00 1.01 0.59 0.00 -0.00 0.00 0.00 177.93 179.53 1xru h ALA 12 N 0.08 1.63 0.00 5.26 0.00 -1.17 -1.56 119.26 123.50 1xru h ALA 12 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xru h ALA 12 Cb 1.07 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1xru h ALA 12 CO 0.03 0.18 0.00 0.36 0.00 0.00 0.00 179.25 179.82 1xru n LYS 13 N -4.54 0.02 0.00 0.00 2.85 -0.84 -2.11 118.16 113.54 1xru n LYS 13 Ca 0.16 0.30 0.10 0.00 -1.05 0.00 0.00 58.31 57.82 1xru n LYS 13 Cb 0.32 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.13 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 -1.48 0.00 -2.33 0.58 -2.24 -0.59 -4.98 114.28 103.25 1xru n THR 14 Ca 0.03 -0.12 -0.41 0.00 -2.27 0.00 0.00 64.05 61.28 1xru n THR 14 Cb 0.12 1.10 -0.03 0.00 -2.10 0.00 0.00 70.33 69.42 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 -2.75 4.47 0.00 3.22 1.43 -0.90 -5.05 118.68 119.11 1xru s LEU 15 Ca 0.12 2.35 -0.04 0.00 -1.03 0.00 0.00 54.13 55.52 1xru s LEU 15 Cb 0.16 -3.62 0.08 0.00 0.03 0.00 0.00 46.19 42.84 1xru s LEU 15 CO 0.72 -0.37 0.47 -0.90 0.23 0.00 0.00 176.35 176.51 1xru n ASP 16 N 1.89 0.19 -0.04 2.29 5.68 -1.26 -4.70 116.55 120.60 1xru n ASP 16 Ca 0.02 -1.26 -0.08 0.00 -0.50 0.00 0.00 54.79 52.97 1xru n ASP 16 Cb 0.44 -0.34 -0.02 0.00 -1.14 0.00 0.00 41.12 40.06 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 -1.03 0.55 -0.38 2.12 2.02 -1.96 -0.47 112.91 113.75 1xru h THR 17 Ca -0.15 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 66.93 1xru h THR 17 Cb 0.46 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 1xru h THR 17 CO 0.12 0.00 -0.15 -0.61 0.37 0.00 0.00 175.52 175.25 1xru h GLN 18 N -0.16 0.70 -0.80 6.66 5.75 -1.99 -2.38 115.11 122.89 1xru h GLN 18 Ca 0.13 -0.24 -0.01 0.00 -0.15 0.00 0.00 58.65 58.38 1xru h GLN 18 Cb 0.35 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.80 1xru h GLN 18 CO -0.31 0.82 0.47 0.78 -2.65 0.00 0.00 178.83 177.93 1xru h GLY 19 N 0.98 1.17 1.01 2.39 0.00 -1.73 0.17 103.07 107.06 1xru h GLY 19 Ca 0.10 -0.50 -0.06 0.00 0.00 0.00 0.00 47.33 46.87 1xru h GLY 19 CO 0.04 0.49 0.13 1.41 0.00 0.00 0.00 176.54 178.61 1xru h LEU 20 N 1.10 0.88 -0.44 3.11 3.38 -0.86 -2.53 115.31 119.95 1xru h LEU 20 Ca 0.28 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1xru h LEU 20 Cb -0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1xru h LEU 20 CO -0.05 0.89 0.12 0.03 0.09 0.00 0.00 178.44 179.52 1xru h ARG 21 N 0.82 0.69 -0.48 1.13 3.08 -1.01 -0.66 114.38 117.95 1xru h ARG 21 Ca 0.18 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1xru h ARG 21 Cb 0.36 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1xru h ARG 21 CO 0.00 0.68 0.30 -0.91 -1.07 0.00 0.00 179.97 178.97 1xru h ASN 22 N 0.57 0.56 0.00 7.04 2.35 -0.84 -1.78 115.58 123.49 1xru h ASN 22 Ca 0.14 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.76 1xru h ASN 22 Cb 0.29 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 1xru h ASN 22 CO -0.00 0.43 -0.60 -0.33 -1.65 0.00 0.00 177.43 175.28 1xru h GLU 23 N 0.66 0.00 0.00 0.81 4.39 -1.27 -3.43 114.58 115.74 1xru h GLU 23 Ca 0.17 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.82 1xru h GLU 23 Cb -0.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 1xru h GLU 23 CO -0.03 0.97 -2.03 1.19 -1.16 0.00 0.00 179.01 177.95 1xru n PHE 24 N -4.53 0.00 -3.47 4.33 3.72 -0.27 -4.91 117.46 112.33 1xru n PHE 24 Ca -0.20 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 56.82 1xru n PHE 24 Cb 0.57 -0.56 -0.06 0.00 -0.94 0.00 0.00 39.48 38.49 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 -4.62 4.41 -0.43 4.37 2.96 -0.67 -1.09 118.68 123.61 1xru s LEU 25 Ca -0.08 0.89 -0.06 0.00 -0.22 0.00 0.00 54.13 54.66 1xru s LEU 25 Cb 0.13 -2.59 0.11 0.00 0.50 0.00 0.00 46.19 44.34 1xru s LEU 25 CO 0.88 0.24 0.25 -0.69 -1.32 0.00 0.00 176.35 175.71 1xru s VAL 26 N -0.58 3.72 0.21 1.68 1.01 0.53 -4.80 120.40 122.17 1xru s VAL 26 Ca 0.23 -1.84 0.07 0.00 0.00 0.00 0.00 61.98 60.44 1xru s VAL 26 Cb -0.16 -3.45 -0.10 0.00 0.00 0.00 0.00 36.38 32.67 1xru s VAL 26 CO 0.12 -0.67 1.47 -0.33 0.00 0.00 0.00 175.10 175.69 1xru h GLU 27 N 8.23 0.08 -4.73 2.72 5.08 -1.93 -2.33 114.58 121.71 1xru h GLU 27 Ca -0.18 -0.08 -0.66 0.00 -1.00 0.00 0.00 59.36 57.45 1xru h GLU 27 Cb 1.06 0.02 -0.38 0.00 0.50 0.00 0.00 28.75 29.96 1xru h GLU 27 CO 0.75 0.81 -0.79 0.15 -1.00 0.00 0.00 179.01 178.93 1xru s LYS 28 N -3.33 2.03 -0.22 2.33 1.02 -1.26 -4.75 119.74 115.56 1xru s LYS 28 Ca -0.02 -1.32 0.01 0.00 0.02 0.00 0.00 55.97 54.67 1xru s LYS 28 Cb 0.11 -2.84 -0.14 0.00 -0.52 0.00 0.00 37.83 34.44 1xru s LYS 28 CO 0.80 -0.61 -0.19 0.28 -0.92 0.00 0.00 175.35 174.70 1xru n VAL 29 N 4.47 1.23 -4.00 3.17 0.31 -1.26 -4.94 118.33 117.31 1xru n VAL 29 Ca -0.12 -0.47 -0.35 0.00 -0.01 0.00 0.00 64.34 63.39 1xru n VAL 29 Cb 0.42 -1.27 -0.14 0.00 -0.91 0.00 0.00 33.84 31.94 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 -2.43 2.96 -0.08 3.52 0.08 -1.26 -2.76 117.98 118.02 1xru s PHE 30 Ca -0.29 -0.82 0.01 0.00 0.12 0.00 0.00 56.93 55.95 1xru s PHE 30 Cb 0.08 -2.08 0.02 0.00 -0.57 0.00 0.00 43.02 40.46 1xru s PHE 30 CO 0.49 -0.46 -0.07 0.08 -0.10 0.00 0.00 175.22 175.16 1xru s VAL 31 N 1.31 0.87 0.11 -0.44 1.01 -1.26 -5.10 120.40 116.89 1xru s VAL 31 Ca 0.04 -0.26 -0.35 0.00 0.00 0.00 0.00 61.98 61.41 1xru s VAL 31 Cb -0.14 -0.87 -0.17 0.00 0.00 0.00 0.00 36.38 35.20 1xru s VAL 31 CO -0.02 0.32 1.15 0.00 0.00 0.00 0.00 175.10 176.55 1xru n ALA 32 N 4.43 -1.56 -2.43 5.51 0.00 -1.26 -1.76 120.51 123.44 1xru n ALA 32 Ca -0.18 0.50 -0.12 0.00 0.00 0.00 0.00 53.44 53.64 1xru n ALA 32 Cb 0.51 -1.96 -0.01 0.00 0.00 0.00 0.00 19.45 17.99 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 2.06 -3.93 -3.86 0.00 8.00 -1.26 -4.93 116.55 112.63 1xru n ASP 33 Ca 0.17 0.19 -0.12 0.00 0.71 0.00 0.00 54.79 55.75 1xru n ASP 33 Cb 0.20 -3.34 -0.07 0.00 -0.02 0.00 0.00 41.12 37.89 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 -5.00 1.53 0.06 -1.24 0.41 -0.72 -4.96 118.70 108.76 1xru s GLU 34 Ca 0.00 -1.53 0.07 0.00 -0.41 0.00 0.00 54.97 53.10 1xru s GLU 34 Cb 0.00 0.39 -0.03 0.00 -1.78 0.00 0.00 34.13 32.71 1xru s GLU 34 CO 0.00 -0.59 -0.20 1.52 -0.49 0.00 0.00 175.26 175.50 1xru s TYR 35 N -3.82 1.74 0.00 1.61 -0.85 -1.26 -4.46 117.35 110.31 1xru s TYR 35 Ca 0.31 -0.38 0.00 0.00 -0.52 0.00 0.00 57.07 56.47 1xru s TYR 35 Cb 0.02 -1.02 0.00 0.00 0.38 0.00 0.00 41.96 41.34 1xru s TYR 35 CO 0.13 0.11 0.00 0.25 -1.52 0.00 0.00 175.55 174.53 1xru n THR 36 N 1.66 0.00 -3.37 -3.49 -2.24 -0.17 -4.96 114.28 101.71 1xru n THR 36 Ca -0.18 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.63 1xru n THR 36 Cb 0.53 -0.70 -0.05 0.00 -2.10 0.00 0.00 70.33 68.01 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 0.73 -0.03 -0.25 2.28 1.01 0.33 -3.56 120.40 120.91 1xru s VAL 38 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 1xru s VAL 38 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1xru s VAL 38 CO 0.00 0.00 0.11 -0.47 0.00 0.00 0.00 175.10 174.74 1xru s TYR 39 N 1.64 3.15 -0.17 5.22 5.04 0.20 -0.83 117.35 131.60 1xru s TYR 39 Ca -0.03 -0.17 -0.04 0.00 -2.44 0.00 0.00 57.07 54.39 1xru s TYR 39 Cb -0.01 -2.26 -0.03 0.00 0.35 0.00 0.00 41.96 40.01 1xru s TYR 39 CO -0.14 -0.22 -0.03 0.45 -1.34 0.00 0.00 175.55 174.28 1xru s SER 40 N 1.49 4.77 0.00 4.32 0.15 -0.46 -0.11 113.70 123.86 1xru s SER 40 Ca 0.06 -0.17 0.20 0.00 0.70 0.00 0.00 55.95 56.75 1xru s SER 40 Cb -0.15 -1.79 1.21 0.00 -1.71 0.00 0.00 66.02 63.58 1xru s SER 40 CO 0.06 0.13 1.61 1.41 1.20 0.00 0.00 173.24 177.64 1xru n HIS 41 N 3.79 0.00 -2.81 3.44 8.25 -0.43 -1.75 115.22 125.71 1xru n HIS 41 Ca -0.17 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.86 1xru n HIS 41 Cb 0.52 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.58 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 -2.03 4.30 0.00 1.59 1.01 -1.26 -3.84 121.20 120.96 1xru s ILE 42 Ca 0.30 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.41 1xru s ILE 42 Cb 0.14 -4.76 0.00 0.00 0.01 0.00 0.00 42.46 37.85 1xru s ILE 42 CO 0.24 -1.55 0.00 0.47 0.00 0.00 0.00 174.94 174.10 1xru n ASP 43 N 7.77 -4.13 -3.46 3.58 8.00 -1.26 -3.66 116.55 123.39 1xru n ASP 43 Ca 0.05 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.30 1xru n ASP 43 Cb 0.47 -1.90 0.02 0.00 -0.02 0.00 0.00 41.12 39.69 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 -1.13 -4.75 -2.87 -1.24 1.74 -0.71 -4.70 116.66 103.00 1xru n ARG 44 Ca 0.00 0.65 -0.36 0.00 -0.77 0.00 0.00 57.85 57.37 1xru n ARG 44 Cb 0.22 -5.48 -0.06 0.00 -1.02 0.00 0.00 32.46 26.12 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 -3.14 4.32 -0.11 0.55 2.07 -1.09 -4.52 121.20 119.28 1xru s ILE 45 Ca 0.47 1.65 0.02 0.00 -1.41 0.00 0.00 60.65 61.38 1xru s ILE 45 Cb -0.23 -3.94 -0.01 0.00 0.13 0.00 0.00 42.46 38.41 1xru s ILE 45 CO 0.58 0.12 -0.19 -0.63 -1.91 0.00 0.00 174.94 172.91 1xru s ILE 46 N -1.64 2.51 0.09 2.00 1.01 0.26 -1.35 121.20 124.08 1xru s ILE 46 Ca 0.49 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 60.35 1xru s ILE 46 Cb -0.17 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 1xru s ILE 46 CO 0.22 0.54 -0.18 -0.69 0.00 0.00 0.00 174.94 174.84 1xru s VAL 47 N 0.32 1.45 -0.04 2.92 1.01 -0.01 0.15 120.40 126.20 1xru s VAL 47 Ca -0.15 -1.43 -0.12 0.00 0.00 0.00 0.00 61.98 60.29 1xru s VAL 47 Cb -0.17 -1.34 0.04 0.00 0.00 0.00 0.00 36.38 34.90 1xru s VAL 47 CO 0.07 -0.12 0.53 0.61 0.00 0.00 0.00 175.10 176.19 1xru n GLY 48 N 1.20 0.27 3.04 4.51 0.00 -0.94 -0.52 105.19 112.74 1xru n GLY 48 Ca -0.20 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.38 0.39 0.34 -0.02 0.00 -1.11 -1.34 107.32 102.20 1xru s GLY 49 Ca 0.13 -0.82 0.04 0.00 0.00 0.00 0.00 44.72 44.07 1xru s GLY 49 CO -0.01 -0.90 0.17 -0.42 0.00 0.00 0.00 173.10 171.94 1xru s ILE 50 N -2.13 0.36 -0.29 0.90 1.01 -0.18 -1.00 121.20 119.86 1xru s ILE 50 Ca -0.08 -2.00 -0.16 0.00 0.00 0.00 0.00 60.65 58.41 1xru s ILE 50 Cb -0.05 -2.46 0.14 0.00 0.01 0.00 0.00 42.46 40.10 1xru s ILE 50 CO -0.03 0.00 0.97 -2.84 0.00 0.00 0.00 174.94 173.04 1xru s PRO 52 N -3.71 0.39 0.00 2.79 0.02 -1.26 -1.19 135.00 132.04 1xru s PRO 52 Ca 0.33 0.67 0.00 0.00 0.02 0.00 0.00 61.00 62.02 1xru s PRO 52 Cb 0.04 0.08 0.00 0.00 0.02 0.00 0.00 34.50 34.64 1xru s PRO 52 CO 0.19 -0.08 0.00 -0.89 -0.33 0.00 0.00 177.00 175.88 1xru n ILE 53 N 3.70 0.00 0.82 2.83 5.41 -1.26 -4.27 119.36 126.59 1xru n ILE 53 Ca -0.19 0.00 0.11 0.00 1.00 0.00 0.00 62.75 63.68 1xru n ILE 53 Cb 0.58 -0.68 0.06 0.00 -0.71 0.00 0.00 39.64 38.89 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 -2.41 0.07 -3.99 1.39 -2.24 -1.26 -4.70 114.28 101.14 1xru n THR 54 Ca 0.00 -0.10 -0.09 0.00 -2.27 0.00 0.00 64.05 61.58 1xru n THR 54 Cb 0.00 0.42 -0.08 0.00 -2.10 0.00 0.00 70.33 68.58 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 -3.08 1.10 0.60 -0.78 -2.85 -1.26 -5.16 119.74 108.30 1xru s LYS 55 Ca 0.07 -1.21 -0.09 0.00 -1.00 0.00 0.00 55.97 53.75 1xru s LYS 55 Cb 0.16 0.35 -0.02 0.00 -2.06 0.00 0.00 37.83 36.26 1xru s LYS 55 CO 0.79 -0.39 0.96 0.95 0.10 0.00 0.00 175.35 177.76 1xru s THR 56 N -3.98 4.26 -0.08 3.79 -4.23 -1.26 -4.62 115.64 109.51 1xru s THR 56 Ca 0.18 0.44 0.02 0.00 -1.18 0.00 0.00 61.69 61.15 1xru s THR 56 Cb 0.04 -3.69 0.01 0.00 1.34 0.00 0.00 72.50 70.20 1xru s THR 56 CO -0.00 -0.82 -0.15 -0.69 -0.54 0.00 0.00 174.62 172.42 1xru s VAL 57 N -3.08 1.38 0.13 2.29 1.01 -0.36 -4.96 120.40 116.80 1xru s VAL 57 Ca 0.54 -0.60 0.06 0.00 0.00 0.00 0.00 61.98 61.98 1xru s VAL 57 Cb -0.11 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1xru s VAL 57 CO 0.49 0.41 -0.15 -0.94 0.00 0.00 0.00 175.10 174.92 1xru s SER 58 N 0.73 2.09 -0.01 3.32 1.04 -1.26 0.04 113.70 119.64 1xru s SER 58 Ca -0.13 -0.81 0.04 0.00 0.48 0.00 0.00 55.95 55.54 1xru s SER 58 Cb -0.16 -0.08 -0.01 0.00 0.10 0.00 0.00 66.02 65.87 1xru s SER 58 CO 0.03 -0.13 -0.14 0.68 0.98 0.00 0.00 173.24 174.66 1xru s VAL 59 N -2.09 1.12 0.00 5.02 -7.23 -0.69 -5.00 120.40 111.53 1xru s VAL 59 Ca 0.09 -0.60 0.00 0.00 -1.81 0.00 0.00 61.98 59.66 1xru s VAL 59 Cb -0.05 -0.94 0.00 0.00 0.56 0.00 0.00 36.38 35.95 1xru s VAL 59 CO 0.03 0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.75 1xru n GLY 60 N 2.79 -1.05 0.32 2.32 0.00 -1.26 -1.70 105.19 106.61 1xru n GLY 60 Ca -0.15 0.69 -0.14 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.63 0.72 -0.02 0.00 -1.75 0.67 103.07 102.04 1xru h GLY 61 Ca 0.00 0.34 0.02 0.00 0.00 0.00 0.00 47.33 47.69 1xru h GLY 61 CO 0.00 -0.25 -0.11 1.05 0.00 0.00 0.00 176.54 177.23 1xru h GLU 62 N -0.59 -0.18 -0.88 4.80 4.11 -1.97 -0.98 114.58 118.90 1xru h GLU 62 Ca -0.00 0.01 0.01 0.00 0.07 0.00 0.00 59.36 59.45 1xru h GLU 62 Cb 0.56 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.81 1xru h GLU 62 CO -0.09 -0.12 0.58 0.28 0.07 0.00 0.00 179.01 179.73 1xru h VAL 63 N -0.19 1.22 -0.42 -1.06 2.07 -1.94 -1.89 116.25 114.04 1xru h VAL 63 Ca 0.04 -0.41 0.02 0.00 0.82 0.00 0.00 66.70 67.18 1xru h VAL 63 Cb 0.24 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 29.92 1xru h VAL 63 CO -0.11 0.22 0.24 1.23 0.02 0.00 0.00 177.57 179.16 1xru h GLY 64 N 1.19 0.59 1.12 2.17 0.00 -0.60 -1.49 103.07 106.04 1xru h GLY 64 Ca 0.32 -0.18 0.05 0.00 0.00 0.00 0.00 47.33 47.53 1xru h GLY 64 CO -0.07 0.15 0.47 0.50 0.00 0.00 0.00 176.54 177.58 1xru h LYS 65 N 0.48 0.77 0.00 4.80 6.56 -0.43 0.26 116.57 129.02 1xru h LYS 65 Ca 0.17 -0.05 -0.03 0.00 -1.06 0.00 0.00 60.65 59.69 1xru h LYS 65 Cb 0.03 -0.17 -0.00 0.00 -0.57 0.00 0.00 32.23 31.51 1xru h LYS 65 CO -0.09 0.51 -0.14 1.96 -2.06 0.00 0.00 179.45 179.63 1xru h GLN 66 N 0.79 0.00 -0.51 3.15 4.20 -0.71 -1.26 115.11 120.78 1xru h GLN 66 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 1xru h GLN 66 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 1xru h GLN 66 CO -0.09 0.14 0.00 1.28 -0.67 0.00 0.00 178.83 179.49 1xru n LEU 67 N -3.73 3.16 0.00 1.46 4.77 0.79 -4.93 117.00 118.51 1xru n LEU 67 Ca -0.02 -1.50 0.00 0.00 -0.03 0.00 0.00 56.01 54.46 1xru n LEU 67 Cb 0.25 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1xru n LEU 67 CO 0.31 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 1xru n GLY 68 N 1.45 0.75 1.13 -0.72 0.00 -0.47 -5.02 105.19 102.30 1xru n GLY 68 Ca 0.20 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.49 0.00 0.10 1.61 0.24 -0.44 -4.96 118.33 112.39 1xru n VAL 69 Ca 0.00 -0.73 -0.16 0.00 -2.04 0.00 0.00 64.34 61.41 1xru n VAL 69 Cb 0.00 0.09 -0.14 0.00 -1.47 0.00 0.00 33.84 32.32 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 0.36 0.41 -5.03 -1.34 0.02 -1.91 -2.73 113.55 103.32 1xru h SER 70 Ca -0.13 -0.45 -0.10 0.00 -0.84 0.00 0.00 61.79 60.28 1xru h SER 70 Cb 0.39 -0.13 -0.18 0.00 0.14 0.00 0.00 62.40 62.62 1xru h SER 70 CO 0.21 1.35 -0.22 -0.72 -1.14 0.00 0.00 176.83 176.31 1xru s TYR 71 N -2.65 -0.16 0.21 3.45 1.13 -1.26 -4.33 117.35 113.73 1xru s TYR 71 Ca -0.04 0.11 -0.16 0.00 -1.41 0.00 0.00 57.07 55.57 1xru s TYR 71 Cb 0.07 0.12 0.21 0.00 -1.10 0.00 0.00 41.96 41.26 1xru s TYR 71 CO 0.88 -0.49 1.42 0.34 -2.51 0.00 0.00 175.55 175.19 1xru n PHE 72 N 0.75 0.01 -0.82 -3.49 7.35 0.11 -1.41 117.46 119.97 1xru n PHE 72 Ca -0.19 1.13 -0.08 0.00 -0.76 0.00 0.00 57.45 57.54 1xru n PHE 72 Cb 0.59 -0.83 0.25 0.00 0.35 0.00 0.00 39.48 39.83 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 -5.34 5.76 -0.10 -2.13 4.77 -1.26 -4.47 117.00 114.23 1xru n LEU 73 Ca 0.09 -3.01 0.01 0.00 -0.03 0.00 0.00 56.01 53.07 1xru n LEU 73 Cb 0.36 -0.74 0.31 0.00 -2.33 0.00 0.00 43.42 41.03 1xru n LEU 73 CO -0.13 0.80 1.15 -0.08 -1.33 0.00 0.00 177.39 177.80 1xru h GLU 74 N 2.10 0.76 -0.21 3.23 4.81 -1.47 -0.14 114.58 123.65 1xru h GLU 74 Ca 0.30 -0.07 -0.21 0.00 -0.13 0.00 0.00 59.36 59.25 1xru h GLU 74 Cb 2.25 -0.16 -0.35 0.00 0.63 0.00 0.00 28.75 31.12 1xru h GLU 74 CO 0.72 0.55 -0.99 0.54 -0.73 0.00 0.00 179.01 179.10 1xru n ARG 75 N -4.41 1.10 -3.97 1.92 1.74 -1.26 -4.26 116.66 107.51 1xru n ARG 75 Ca 0.05 -2.86 -0.08 0.00 -0.77 0.00 0.00 57.85 54.19 1xru n ARG 75 Cb 0.09 -0.94 -0.09 0.00 -1.02 0.00 0.00 32.46 30.50 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 -2.00 0.70 0.12 5.56 0.52 -1.20 -0.88 118.95 121.78 1xru s ARG 76 Ca 0.34 -1.05 0.11 0.00 -0.52 0.00 0.00 55.73 54.60 1xru s ARG 76 Cb 0.37 0.27 -0.04 0.00 0.52 0.00 0.00 34.95 36.06 1xru s ARG 76 CO -0.10 -0.18 -0.27 -1.83 0.02 0.00 0.00 175.30 172.95 1xru s GLU 77 N -3.72 1.45 -0.05 3.54 -1.05 0.26 -3.21 118.70 115.92 1xru s GLU 77 Ca 0.05 -1.32 0.04 0.00 -0.15 0.00 0.00 54.97 53.59 1xru s GLU 77 Cb 0.05 -1.92 -0.00 0.00 -0.44 0.00 0.00 34.13 31.83 1xru s GLU 77 CO -0.10 0.46 -0.19 -1.17 0.95 0.00 0.00 175.26 175.21 1xru s LEU 78 N -1.99 1.94 -0.15 1.83 2.96 0.40 -1.73 118.68 121.93 1xru s LEU 78 Ca 0.14 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.68 1xru s LEU 78 Cb -0.10 -1.06 0.01 0.00 0.50 0.00 0.00 46.19 45.54 1xru s LEU 78 CO 0.06 0.16 -0.20 -0.83 -1.32 0.00 0.00 176.35 174.22 1xru s GLY 79 N 0.06 1.39 -0.04 7.98 0.00 -0.48 0.20 107.32 116.43 1xru s GLY 79 Ca -0.05 -1.11 0.04 0.00 0.00 0.00 0.00 44.72 43.60 1xru s GLY 79 CO 0.03 0.03 -0.16 0.14 0.00 0.00 0.00 173.10 173.14 1xru s VAL 80 N 0.89 1.31 -0.08 1.40 1.01 0.10 -1.75 120.40 123.29 1xru s VAL 80 Ca -0.05 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1xru s VAL 80 Cb -0.15 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.12 1xru s VAL 80 CO -0.03 0.38 -0.10 -0.63 0.00 0.00 0.00 175.10 174.72 1xru s ILE 81 N -0.02 1.06 -0.35 2.22 1.01 -0.08 -0.74 121.20 124.31 1xru s ILE 81 Ca -0.02 -0.40 -0.20 0.00 0.00 0.00 0.00 60.65 60.03 1xru s ILE 81 Cb -0.10 -1.01 0.00 0.00 0.01 0.00 0.00 42.46 41.36 1xru s ILE 81 CO 0.01 0.35 0.62 0.21 0.00 0.00 0.00 174.94 176.14 1xru s ASN 82 N 1.00 6.43 0.00 3.58 2.47 -0.82 -1.04 114.94 126.55 1xru s ASN 82 Ca -0.08 0.17 0.19 0.00 0.42 0.00 0.00 52.86 53.55 1xru s ASN 82 Cb -0.15 -2.32 0.37 0.00 -1.45 0.00 0.00 41.25 37.70 1xru s ASN 82 CO -0.00 -0.57 1.30 2.30 -3.72 0.00 0.00 177.10 176.41 1xru n ILE 83 N 5.55 0.57 -1.14 -5.21 -5.35 -0.37 0.09 119.36 113.49 1xru n ILE 83 Ca -0.02 -0.79 0.00 0.00 -0.27 0.00 0.00 62.75 61.68 1xru n ILE 83 Cb 0.49 0.89 0.00 0.00 -1.74 0.00 0.00 39.64 39.27 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 4.05 3.83 3.28 0.00 -1.25 -4.84 105.19 111.45 1xru n GLY 84 Ca 0.16 -1.78 -0.29 0.00 0.00 0.00 0.00 46.02 44.11 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 1.60 0.39 -0.02 0.00 -0.05 -4.17 107.32 105.07 1xru s GLY 85 Ca 0.00 -0.42 -0.25 0.00 0.00 0.00 0.00 44.72 44.05 1xru s GLY 85 CO 0.00 0.05 1.02 0.00 0.00 0.00 0.00 173.10 174.18 1xru n ALA 86 N -3.45 0.17 -3.07 3.20 0.00 -1.26 -3.54 120.51 112.56 1xru n ALA 86 Ca 0.07 0.27 -0.01 0.00 0.00 0.00 0.00 53.44 53.77 1xru n ALA 86 Cb 0.58 -2.08 -0.00 0.00 0.00 0.00 0.00 19.45 17.95 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 1.17 2.69 2.98 0.00 0.00 -0.02 -1.89 105.19 110.12 1xru n GLY 87 Ca 0.09 -1.27 -0.11 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.62 0.20 -0.13 2.61 -4.23 -0.42 -0.54 115.64 110.51 1xru s THR 88 Ca 0.02 -0.78 -0.00 0.00 -1.18 0.00 0.00 61.69 59.75 1xru s THR 88 Cb -0.00 -0.30 0.03 0.00 1.34 0.00 0.00 72.50 73.56 1xru s THR 88 CO 0.01 -0.37 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.00 1xru s ILE 89 N -1.16 1.19 -0.27 2.99 1.01 -0.12 -1.50 121.20 123.35 1xru s ILE 89 Ca -0.11 -0.44 -0.07 0.00 0.00 0.00 0.00 60.65 60.03 1xru s ILE 89 Cb -0.08 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 41.18 1xru s ILE 89 CO -0.01 0.35 0.06 -0.89 0.00 0.00 0.00 174.94 174.46 1xru s THR 90 N 1.64 4.05 -0.34 2.92 2.01 0.04 -0.72 115.64 125.24 1xru s THR 90 Ca 0.04 -0.43 -0.10 0.00 0.31 0.00 0.00 61.69 61.52 1xru s THR 90 Cb -0.13 -2.97 0.02 0.00 0.01 0.00 0.00 72.50 69.42 1xru s THR 90 CO -0.09 0.24 0.16 -0.69 -0.69 0.00 0.00 174.62 173.55 1xru s VAL 91 N 1.55 4.42 -1.58 3.82 1.01 -0.01 -0.88 120.40 128.72 1xru s VAL 91 Ca 0.05 -0.73 -0.08 0.00 0.00 0.00 0.00 61.98 61.22 1xru s VAL 91 Cb -0.16 -3.38 0.07 0.00 0.00 0.00 0.00 36.38 32.92 1xru s VAL 91 CO 0.02 -0.09 0.46 0.47 0.00 0.00 0.00 175.10 175.96 1xru n ASP 92 N 4.96 -1.14 0.00 3.32 8.00 -0.46 -0.94 116.55 130.28 1xru n ASP 92 Ca -0.13 -1.09 0.00 0.00 0.71 0.00 0.00 54.79 54.28 1xru n ASP 92 Cb 0.47 -2.50 0.00 0.00 -0.02 0.00 0.00 41.12 39.07 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 -1.84 3.18 3.56 0.44 0.00 -1.26 -5.02 105.19 104.24 1xru n GLY 93 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.68 3.54 -0.06 1.61 -0.21 -0.12 -5.03 119.66 118.71 1xru s GLN 94 Ca 0.00 -0.02 -0.25 0.00 0.02 0.00 0.00 55.36 55.10 1xru s GLN 94 Cb 0.00 -3.87 -0.03 0.00 1.00 0.00 0.00 33.01 30.11 1xru s GLN 94 CO 0.00 -0.91 0.79 0.00 -2.12 0.00 0.00 175.29 173.05 1xru s TYR 96 N 0.97 2.71 -0.30 0.00 2.02 0.10 -4.97 117.35 117.87 1xru s TYR 96 Ca 0.41 -0.70 -0.24 0.00 -0.37 0.00 0.00 57.07 56.17 1xru s TYR 96 Cb -0.18 -1.77 0.00 0.00 -0.40 0.00 0.00 41.96 39.61 1xru s TYR 96 CO 0.20 -0.22 0.81 -1.21 -1.57 0.00 0.00 175.55 173.56 1xru s GLU 97 N 0.20 3.98 -0.41 -0.62 2.02 -1.26 -0.94 118.70 121.67 1xru s GLU 97 Ca -0.10 0.64 0.01 0.00 0.02 0.00 0.00 54.97 55.55 1xru s GLU 97 Cb -0.16 -3.72 0.11 0.00 0.10 0.00 0.00 34.13 30.46 1xru s GLU 97 CO 0.06 -0.68 0.16 0.42 0.02 0.00 0.00 175.26 175.24 1xru s ILE 98 N 3.00 2.74 0.32 -1.63 -1.09 0.30 -4.98 121.20 119.87 1xru s ILE 98 Ca 0.33 -2.47 -0.05 0.00 -2.23 0.00 0.00 60.65 56.23 1xru s ILE 98 Cb -0.14 -2.93 0.07 0.00 -1.58 0.00 0.00 42.46 37.88 1xru s ILE 98 CO 0.12 -0.68 0.44 0.61 -1.23 0.00 0.00 174.94 174.20 1xru n GLY 99 N 4.10 -0.92 3.68 6.18 0.00 -1.26 -0.84 105.19 116.12 1xru n GLY 99 Ca 0.03 -1.73 -0.46 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.51 2.36 -1.17 1.61 -0.00 -1.26 -1.01 115.22 113.23 1xru n HIS 100 Ca 0.06 0.09 -0.06 0.00 -0.00 0.00 0.00 57.72 57.81 1xru n HIS 100 Cb 0.20 -2.62 -0.03 0.00 -0.00 0.00 0.00 29.99 27.54 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 5.02 -1.06 -2.74 1.57 1.74 0.11 -4.97 116.66 116.34 1xru n ARG 101 Ca 0.19 0.61 -0.27 0.00 -0.77 0.00 0.00 57.85 57.61 1xru n ARG 101 Cb 0.31 -4.58 -0.00 0.00 -1.02 0.00 0.00 32.46 27.17 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 -2.41 6.24 0.13 0.55 1.01 -0.18 -4.20 116.67 117.82 1xru s ASP 102 Ca 0.00 0.84 0.00 0.00 0.71 0.00 0.00 52.55 54.11 1xru s ASP 102 Cb 0.00 -2.19 -0.04 0.00 1.01 0.00 0.00 42.92 41.70 1xru s ASP 102 CO 0.00 -0.55 0.01 0.00 0.21 0.00 0.00 175.17 174.84 1xru s ALA 103 N -2.68 0.96 -0.09 5.23 0.00 0.22 -1.94 121.76 123.46 1xru s ALA 103 Ca 0.46 -1.45 -0.04 0.00 0.00 0.00 0.00 51.96 50.94 1xru s ALA 103 Cb -0.10 0.59 0.04 0.00 0.00 0.00 0.00 23.12 23.65 1xru s ALA 103 CO 0.44 -0.39 0.19 -1.17 0.00 0.00 0.00 175.76 174.83 1xru s LEU 104 N -3.06 0.47 -0.21 0.00 2.96 0.09 -0.78 118.68 118.14 1xru s LEU 104 Ca 0.20 0.40 -0.08 0.00 -0.22 0.00 0.00 54.13 54.43 1xru s LEU 104 Cb 0.07 0.51 -0.04 0.00 0.50 0.00 0.00 46.19 47.23 1xru s LEU 104 CO -0.00 -0.17 0.08 -0.47 -1.32 0.00 0.00 176.35 174.47 1xru s TYR 105 N 1.39 3.20 -0.20 5.38 5.04 -0.27 -0.72 117.35 131.17 1xru s TYR 105 Ca -0.07 -0.05 -0.03 0.00 -2.44 0.00 0.00 57.07 54.48 1xru s TYR 105 Cb -0.11 -2.17 -0.00 0.00 0.35 0.00 0.00 41.96 40.03 1xru s TYR 105 CO -0.07 -0.03 -0.08 0.08 -1.34 0.00 0.00 175.55 174.11 1xru s VAL 106 N 0.91 3.11 0.76 3.14 1.01 0.13 -0.97 120.40 128.49 1xru s VAL 106 Ca 0.04 -0.59 -0.12 0.00 0.00 0.00 0.00 61.98 61.32 1xru s VAL 106 Cb -0.14 -2.39 0.05 0.00 0.00 0.00 0.00 36.38 33.90 1xru s VAL 106 CO 0.03 0.46 1.13 -0.83 0.00 0.00 0.00 175.10 175.89 1xru s GLY 107 N 1.31 1.61 0.31 4.51 0.00 -1.26 -0.45 107.32 113.35 1xru s GLY 107 Ca 0.04 -0.48 -0.29 0.00 0.00 0.00 0.00 44.72 43.99 1xru s GLY 107 CO -0.04 -0.05 1.41 1.17 0.00 0.00 0.00 173.10 175.59 1xru n LYS 108 N -3.16 2.28 0.00 2.90 4.81 -1.20 -3.03 118.16 120.76 1xru n LYS 108 Ca 0.07 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.32 1xru n LYS 108 Cb 0.59 -2.47 0.00 0.00 0.02 0.00 0.00 35.03 33.17 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 1.40 2.68 3.71 3.14 0.00 -0.07 -4.68 105.19 111.38 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 -2.40 3.65 -0.04 4.61 0.00 -1.17 -4.92 121.76 121.50 1xru s ALA 110 Ca 0.00 1.16 -0.13 0.00 0.00 0.00 0.00 51.96 53.00 1xru s ALA 110 Cb 0.00 -3.60 -0.32 0.00 0.00 0.00 0.00 23.12 19.21 1xru s ALA 110 CO 0.00 -0.79 0.74 0.87 0.00 0.00 0.00 175.76 176.58 1xru h LYS 111 N 7.22 0.42 -3.50 0.00 1.57 -1.93 -3.36 116.57 116.98 1xru h LYS 111 Ca -0.42 -0.72 -0.24 0.00 -1.87 0.00 0.00 60.65 57.41 1xru h LYS 111 Cb 1.20 0.27 -0.30 0.00 0.08 0.00 0.00 32.23 33.48 1xru h LYS 111 CO 0.89 1.34 -0.66 -2.00 -0.57 0.00 0.00 179.45 178.46 1xru s GLU 112 N -2.57 0.05 -0.14 3.15 2.12 -1.26 -4.26 118.70 115.78 1xru s GLU 112 Ca -0.15 0.17 0.01 0.00 0.36 0.00 0.00 54.97 55.36 1xru s GLU 112 Cb 0.05 -0.07 0.02 0.00 0.26 0.00 0.00 34.13 34.39 1xru s GLU 112 CO 0.87 -0.08 -0.16 0.08 -0.54 0.00 0.00 175.26 175.44 1xru s VAL 113 N 0.49 1.65 -0.18 3.70 1.01 -0.69 -1.35 120.40 125.04 1xru s VAL 113 Ca -0.04 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 1xru s VAL 113 Cb -0.05 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.79 1xru s VAL 113 CO -0.02 0.47 -0.08 -0.69 0.00 0.00 0.00 175.10 174.79 1xru s VAL 114 N 1.33 3.31 -0.12 2.92 1.01 -0.06 -1.70 120.40 127.09 1xru s VAL 114 Ca 0.02 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 1xru s VAL 114 Cb -0.13 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1xru s VAL 114 CO -0.09 0.47 0.07 -0.36 0.00 0.00 0.00 175.10 175.19 1xru s PHE 115 N 0.91 3.35 0.05 5.22 0.08 0.11 -0.78 117.98 126.92 1xru s PHE 115 Ca -0.01 0.30 -0.09 0.00 0.12 0.00 0.00 56.93 57.25 1xru s PHE 115 Cb -0.15 -1.91 0.00 0.00 -0.57 0.00 0.00 43.02 40.39 1xru s PHE 115 CO 0.00 0.51 0.18 0.00 -0.10 0.00 0.00 175.22 175.81 1xru s ALA 116 N -0.67 -0.29 -0.01 5.36 0.00 -0.56 -1.23 121.76 124.36 1xru s ALA 116 Ca 0.12 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.71 1xru s ALA 116 Cb -0.12 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 1xru s ALA 116 CO 0.02 -0.39 -0.03 -1.12 0.00 0.00 0.00 175.76 174.25 1xru s SER 117 N -2.25 4.89 -0.05 0.00 0.01 -1.26 -1.31 113.70 113.73 1xru s SER 117 Ca -0.03 -0.05 -0.23 0.00 1.31 0.00 0.00 55.95 56.95 1xru s SER 117 Cb 0.00 -1.23 -0.28 0.00 0.21 0.00 0.00 66.02 64.72 1xru s SER 117 CO -0.05 0.29 0.94 0.40 0.41 0.00 0.00 173.24 175.23 1xru h ILE 118 N 3.72 1.54 -3.12 1.44 1.08 -1.71 -3.44 117.51 117.01 1xru h ILE 118 Ca -0.49 -2.35 -0.67 0.00 -0.39 0.00 0.00 64.86 60.97 1xru h ILE 118 Cb 1.17 3.05 -0.34 0.00 -3.07 0.00 0.00 36.82 37.63 1xru h ILE 118 CO 0.55 0.66 -0.85 -0.62 -0.69 0.00 0.00 178.15 177.20 1xru s ASP 119 N -6.75 3.23 0.55 1.72 2.15 -1.26 -4.99 116.67 111.31 1xru s ASP 119 Ca -0.14 -0.61 0.30 0.00 0.43 0.00 0.00 52.55 52.52 1xru s ASP 119 Cb 0.01 -1.49 1.57 0.00 -0.30 0.00 0.00 42.92 42.71 1xru s ASP 119 CO 0.80 0.02 2.11 0.71 -0.17 0.00 0.00 175.17 178.64 1xru h THR 120 N 5.89 0.46 -0.13 1.71 1.35 -1.86 -2.30 112.91 118.03 1xru h THR 120 Ca -0.42 -0.43 -0.14 0.00 -0.55 0.00 0.00 66.41 64.88 1xru h THR 120 Cb 1.15 1.29 -0.01 0.00 -1.73 0.00 0.00 68.15 68.85 1xru h THR 120 CO 0.62 0.09 -0.51 1.23 -0.25 0.00 0.00 175.52 176.69 1xru h GLY 121 N 0.78 0.39 -6.29 5.82 0.00 -1.95 -3.34 103.07 98.47 1xru h GLY 121 Ca -0.00 -0.42 -0.58 0.00 0.00 0.00 0.00 47.33 46.32 1xru h GLY 121 CO 0.01 0.38 -0.90 2.41 0.00 0.00 0.00 176.54 178.44 1xru n THR 122 N -3.96 0.02 -1.09 4.70 -1.04 -0.90 -5.12 114.28 106.89 1xru n THR 122 Ca -0.02 -4.18 -0.33 0.00 -2.04 0.00 0.00 64.05 57.48 1xru n THR 122 Cb 0.56 -1.93 0.13 0.00 -1.82 0.00 0.00 70.33 67.28 1xru n THR 122 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1xru s PRO 123 N -1.09 1.59 0.43 -2.82 0.04 -0.98 -3.56 135.00 128.60 1xru s PRO 123 Ca 0.34 1.76 -0.23 0.00 0.04 0.00 0.00 61.00 62.91 1xru s PRO 123 Cb 0.10 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.78 1xru s PRO 123 CO -0.13 -2.25 1.05 0.00 0.04 0.00 0.00 177.00 175.71 1xru s ALA 124 N -2.15 3.01 -0.45 8.56 0.00 -1.23 -0.87 121.76 128.63 1xru s ALA 124 Ca 0.73 0.68 0.03 0.00 0.00 0.00 0.00 51.96 53.39 1xru s ALA 124 Cb -0.29 -3.27 0.13 0.00 0.00 0.00 0.00 23.12 19.69 1xru s ALA 124 CO 0.51 -0.26 0.22 0.15 0.00 0.00 0.00 175.76 176.38 1xru s LYS 125 N -2.76 1.45 -0.52 0.00 1.02 -1.26 -4.14 119.74 113.54 1xru s LYS 125 Ca 0.61 -2.10 -0.24 0.00 0.02 0.00 0.00 55.97 54.26 1xru s LYS 125 Cb -0.20 -2.65 0.04 0.00 -0.52 0.00 0.00 37.83 34.50 1xru s LYS 125 CO 0.25 -1.12 0.91 -0.06 -0.92 0.00 0.00 175.35 174.41 1xru s PHE 126 N 0.30 2.86 -0.08 3.18 0.40 -0.33 -1.24 117.98 123.07 1xru s PHE 126 Ca 0.16 0.09 -0.18 0.00 -0.60 0.00 0.00 56.93 56.40 1xru s PHE 126 Cb -0.24 -3.98 -0.05 0.00 0.51 0.00 0.00 43.02 39.26 1xru s PHE 126 CO -0.02 -1.24 0.47 -0.47 0.70 0.00 0.00 175.22 174.67 1xru s TYR 127 N 3.78 3.58 0.09 0.36 5.04 -0.21 -1.01 117.35 128.97 1xru s TYR 127 Ca 0.31 0.95 0.03 0.00 -2.44 0.00 0.00 57.07 55.92 1xru s TYR 127 Cb -0.12 -2.50 -0.04 0.00 0.35 0.00 0.00 41.96 39.65 1xru s TYR 127 CO 0.21 0.29 -0.08 1.52 -1.34 0.00 0.00 175.55 176.15 1xru s TYR 128 N 0.16 0.90 -0.02 4.97 -0.85 -0.45 -0.90 117.35 121.17 1xru s TYR 128 Ca 0.26 -0.73 0.03 0.00 -0.52 0.00 0.00 57.07 56.10 1xru s TYR 128 Cb -0.16 -0.51 -0.00 0.00 0.38 0.00 0.00 41.96 41.67 1xru s TYR 128 CO 0.12 -0.08 -0.09 -0.80 -1.52 0.00 0.00 175.55 173.17 1xru s ASN 129 N -2.53 1.13 -0.04 -0.18 0.02 -0.72 -2.22 114.94 110.41 1xru s ASN 129 Ca 0.05 -0.17 0.02 0.00 -1.02 0.00 0.00 52.86 51.73 1xru s ASN 129 Cb -0.01 -0.21 0.01 0.00 0.02 0.00 0.00 41.25 41.06 1xru s ASN 129 CO -0.02 0.09 -0.08 0.00 0.02 0.00 0.00 177.10 177.11 1xru s ALA 131 N 0.56 0.92 0.43 0.00 0.00 -0.71 -0.57 121.76 122.39 1xru s ALA 131 Ca -0.09 -1.00 -0.25 0.00 0.00 0.00 0.00 51.96 50.62 1xru s ALA 131 Cb -0.12 0.01 -0.10 0.00 0.00 0.00 0.00 23.12 22.91 1xru s ALA 131 CO 0.01 0.00 1.18 -2.30 0.00 0.00 0.00 175.76 174.66 1xru n PRO 132 N 1.02 1.70 -3.74 0.00 -0.02 -1.26 -0.57 135.00 132.13 1xru n PRO 132 Ca -0.19 0.61 -0.14 0.00 -2.02 0.00 0.00 63.50 61.76 1xru n PRO 132 Cb 0.56 -2.27 -0.14 0.00 -0.02 0.00 0.00 33.50 31.63 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 -1.23 -0.33 -0.33 3.55 0.00 -0.06 -4.66 121.76 118.70 1xru s ALA 133 Ca 0.62 0.75 0.22 0.00 0.00 0.00 0.00 51.96 53.56 1xru s ALA 133 Cb -0.52 -0.53 -0.07 0.00 0.00 0.00 0.00 23.12 21.99 1xru s ALA 133 CO 0.57 -0.20 0.89 0.72 0.00 0.00 0.00 175.76 177.73 1xru n HIS 134 N 4.31 0.44 -4.21 0.00 8.25 -1.26 -4.09 115.22 118.66 1xru n HIS 134 Ca -0.24 0.13 -0.19 0.00 -0.26 0.00 0.00 57.72 57.15 1xru n HIS 134 Cb 0.52 -0.63 -0.12 0.00 1.12 0.00 0.00 29.99 30.87 1xru n HIS 134 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1xru s THR 135 N -3.34 1.29 -0.21 1.59 -1.32 -1.26 -5.13 115.64 107.26 1xru s THR 135 Ca -0.01 -1.44 -0.18 0.00 -1.21 0.00 0.00 61.69 58.85 1xru s THR 135 Cb 0.13 -1.27 -0.03 0.00 -1.51 0.00 0.00 72.50 69.81 1xru s THR 135 CO 0.83 -0.23 0.52 -0.89 -2.21 0.00 0.00 174.62 172.63 1xru s THR 136 N -1.43 5.10 0.13 5.08 2.01 -1.26 -4.52 115.64 120.75 1xru s THR 136 Ca 0.02 0.93 0.09 0.00 0.31 0.00 0.00 61.69 63.04 1xru s THR 136 Cb -0.09 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 1xru s THR 136 CO 0.03 0.16 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.64 1xru s TYR 137 N 1.79 2.55 0.29 4.92 2.02 -1.26 -4.98 117.35 122.67 1xru s TYR 137 Ca 0.23 -0.26 -0.30 0.00 -0.37 0.00 0.00 57.07 56.38 1xru s TYR 137 Cb -0.15 -1.33 -0.13 0.00 -0.40 0.00 0.00 41.96 39.94 1xru s TYR 137 CO 0.09 0.41 1.30 -0.35 -1.57 0.00 0.00 175.55 175.43 1xru n PRO 138 N 0.68 1.95 -2.16 -1.71 -0.04 -1.26 -3.99 135.00 128.46 1xru n PRO 138 Ca -0.15 0.69 -0.42 0.00 -0.04 0.00 0.00 63.50 63.59 1xru n PRO 138 Cb 0.53 -2.27 -0.03 0.00 -0.04 0.00 0.00 33.50 31.69 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 -0.62 3.15 -0.06 0.52 2.01 -1.26 -4.63 115.64 114.75 1xru s THR 139 Ca 0.62 0.90 -0.04 0.00 0.31 0.00 0.00 61.69 63.48 1xru s THR 139 Cb -0.63 -3.57 0.03 0.00 0.01 0.00 0.00 72.50 68.33 1xru s THR 139 CO 0.56 0.11 0.15 -0.75 -0.69 0.00 0.00 174.62 174.00 1xru s LYS 140 N 0.32 0.13 -0.01 4.92 2.20 -0.14 -4.98 119.74 122.18 1xru s LYS 140 Ca 0.60 0.31 -0.22 0.00 -0.36 0.00 0.00 55.97 56.31 1xru s LYS 140 Cb -0.38 -0.07 -0.05 0.00 -1.51 0.00 0.00 37.83 35.82 1xru s LYS 140 CO 0.36 -0.11 0.65 0.21 -0.36 0.00 0.00 175.35 176.10 1xru s LYS 141 N 0.75 4.38 -0.14 4.03 2.20 -1.26 -1.12 119.74 128.58 1xru s LYS 141 Ca -0.06 0.82 0.01 0.00 -0.36 0.00 0.00 55.97 56.39 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 -0.04 0.27 -0.17 0.08 -0.36 0.00 0.00 175.35 175.13 1xru s VAL 142 N 0.11 1.75 0.26 4.02 1.01 0.04 -4.98 120.40 122.62 1xru s VAL 142 Ca 0.34 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.61 1xru s VAL 142 Cb -0.18 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 1xru s VAL 142 CO 0.18 0.49 0.30 0.42 0.00 0.00 0.00 175.10 176.49 1xru s THR 143 N 1.20 4.66 0.42 3.92 -4.23 -1.26 -0.61 115.64 119.73 1xru s THR 143 Ca -0.00 -1.19 0.27 0.00 -1.18 0.00 0.00 61.69 59.59 1xru s THR 143 Cb -0.14 -3.57 0.27 0.00 1.34 0.00 0.00 72.50 70.40 1xru s THR 143 CO -0.07 -0.30 1.80 1.55 -0.54 0.00 0.00 174.62 177.05 1xru h PRO 144 N 1.27 0.00 0.44 3.99 0.13 -1.94 -2.34 132.00 133.55 1xru h PRO 144 Ca -0.49 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1xru h PRO 144 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1xru h PRO 144 CO 0.60 0.00 -0.21 -0.44 -0.23 0.00 0.00 178.00 177.72 1xru h ASP 145 N 0.00 -0.50 0.00 1.44 3.32 -1.96 -3.21 116.42 115.51 1xru h ASP 145 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1xru h ASP 145 Cb 0.50 0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1xru h ASP 145 CO 0.00 -0.07 0.07 -0.62 -1.72 0.00 0.00 179.24 176.89 1xru n GLU 146 N -5.17 0.00 0.06 3.56 1.02 -0.89 -2.13 120.64 117.10 1xru n GLU 146 Ca -0.07 0.42 -0.13 0.00 -0.02 0.00 0.00 57.16 57.35 1xru n GLU 146 Cb 0.24 -1.57 -0.14 0.00 -0.02 0.00 0.00 31.44 29.96 1xru n GLU 146 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1xru h VAL 147 N 0.00 1.36 -5.55 2.62 2.07 -1.54 -3.48 116.25 111.72 1xru h VAL 147 Ca 0.00 -3.02 -0.08 0.00 0.82 0.00 0.00 66.70 64.42 1xru h VAL 147 Cb 0.13 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 1xru h VAL 147 CO 0.00 0.84 -0.65 -1.54 0.02 0.00 0.00 177.57 176.24 1xru n SER 148 N -3.40 -7.44 -4.73 0.57 3.41 -0.91 -4.60 113.62 96.53 1xru n SER 148 Ca -0.10 0.38 -0.33 0.00 -0.26 0.00 0.00 58.87 58.56 1xru n SER 148 Cb 1.01 -4.61 0.10 0.00 -0.26 0.00 0.00 64.21 60.45 1xru n SER 148 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1xru s PRO 149 N -2.59 2.05 -0.04 4.33 0.04 -1.26 -4.85 135.00 132.68 1xru s PRO 149 Ca 0.28 1.57 0.01 0.00 0.04 0.00 0.00 61.00 62.89 1xru s PRO 149 Cb -0.06 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.66 1xru s PRO 149 CO 0.79 -1.86 -0.04 0.54 0.04 0.00 0.00 177.00 176.48 1xru s VAL 150 N -2.31 0.46 -0.25 -0.36 0.11 -0.65 -4.96 120.40 112.45 1xru s VAL 150 Ca 0.70 -0.08 -0.09 0.00 -2.93 0.00 0.00 61.98 59.57 1xru s VAL 150 Cb -0.24 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 34.06 1xru s VAL 150 CO 0.49 0.21 0.13 -0.89 -3.33 0.00 0.00 175.10 171.70 1xru s THR 151 N 0.95 4.92 0.42 5.04 2.01 -1.26 0.08 115.64 127.79 1xru s THR 151 Ca -0.11 0.03 0.04 0.00 0.31 0.00 0.00 61.69 61.97 1xru s THR 151 Cb -0.14 -3.30 -0.02 0.00 0.01 0.00 0.00 72.50 69.05 1xru s THR 151 CO -0.00 0.33 0.15 -0.76 -0.69 0.00 0.00 174.62 173.65 1xru s LEU 152 N 1.37 1.97 0.00 4.42 1.43 0.02 -4.96 118.68 122.93 1xru s LEU 152 Ca 0.06 -1.73 0.00 0.00 -1.03 0.00 0.00 54.13 51.43 1xru s LEU 152 Cb -0.15 -0.01 0.00 0.00 0.03 0.00 0.00 46.19 46.06 1xru s LEU 152 CO 0.06 -0.99 0.00 0.61 0.23 0.00 0.00 176.35 176.26 1xru n GLY 153 N -0.93 -2.49 3.49 -3.19 0.00 -1.26 -0.47 105.19 100.35 1xru n GLY 153 Ca -0.05 -1.78 -0.16 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.76 -0.60 0.29 1.61 -1.08 -1.26 -4.68 116.67 108.19 1xru s ASP 154 Ca 0.00 0.81 0.01 0.00 -0.52 0.00 0.00 52.55 52.85 1xru s ASP 154 Cb 0.00 0.74 0.54 0.00 -1.46 0.00 0.00 42.92 42.74 1xru s ASP 154 CO 0.00 -0.47 1.86 0.78 0.52 0.00 0.00 175.17 177.85 1xru h ASN 155 N 3.74 0.93 -0.36 -0.34 -0.26 -1.95 -1.73 115.58 115.61 1xru h ASN 155 Ca -0.28 0.03 0.05 0.00 -0.56 0.00 0.00 56.30 55.55 1xru h ASN 155 Cb 1.15 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 38.24 1xru h ASN 155 CO 0.30 0.53 0.25 -0.07 -1.06 0.00 0.00 177.43 177.38 1xru h LEU 156 N 1.02 0.25 -2.98 1.61 3.38 -1.99 0.12 115.31 116.71 1xru h LEU 156 Ca 0.47 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 1xru h LEU 156 Cb 0.41 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1xru h LEU 156 CO -0.23 0.17 0.00 0.35 0.09 0.00 0.00 178.44 178.82 1xru n THR 157 N -4.48 1.46 -4.29 0.22 -2.24 -0.73 -4.96 114.28 99.27 1xru n THR 157 Ca 0.04 -1.15 -0.35 0.00 -2.27 0.00 0.00 64.05 60.32 1xru n THR 157 Cb 0.22 0.28 -0.06 0.00 -2.10 0.00 0.00 70.33 68.68 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 1.08 -1.42 -0.71 3.42 2.88 0.43 -4.75 113.62 114.54 1xru n SER 158 Ca 0.23 -1.13 0.02 0.00 -1.33 0.00 0.00 58.87 56.66 1xru n SER 158 Cb 0.73 -2.24 0.03 0.00 -0.75 0.00 0.00 64.21 61.98 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 -2.71 0.59 -4.68 -3.46 6.94 -1.03 -1.14 115.26 109.76 1xru n ASN 159 Ca -0.07 -2.21 -0.42 0.00 -0.02 0.00 0.00 54.58 51.86 1xru n ASN 159 Cb 0.56 -0.27 -0.03 0.00 -2.36 0.00 0.00 39.78 37.69 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 -0.47 4.19 0.22 -3.83 6.06 -1.24 -4.12 118.95 119.76 1xru s ARG 160 Ca 0.14 2.33 -0.20 0.00 -2.50 0.00 0.00 55.73 55.50 1xru s ARG 160 Cb 0.15 -3.71 0.03 0.00 0.06 0.00 0.00 34.95 31.48 1xru s ARG 160 CO -0.04 -0.77 0.62 -0.98 -2.50 0.00 0.00 175.30 171.62 1xru s ARG 161 N 3.04 1.53 -0.16 5.12 1.70 0.38 -1.37 118.95 129.19 1xru s ARG 161 Ca 0.75 -0.82 0.00 0.00 -0.47 0.00 0.00 55.73 55.19 1xru s ARG 161 Cb -0.39 0.57 0.00 0.00 -0.57 0.00 0.00 34.95 34.57 1xru s ARG 161 CO 0.33 -0.68 -0.15 0.99 -1.08 0.00 0.00 175.30 174.71 1xru s THR 162 N -3.86 2.62 -0.21 4.99 2.01 -0.45 -0.80 115.64 119.94 1xru s THR 162 Ca 0.08 -0.78 -0.10 0.00 0.31 0.00 0.00 61.69 61.21 1xru s THR 162 Cb -0.03 -2.11 -0.05 0.00 0.01 0.00 0.00 72.50 70.32 1xru s THR 162 CO -0.01 0.51 0.12 -0.63 -0.69 0.00 0.00 174.62 173.92 1xru s ILE 163 N 0.95 5.27 -0.29 1.82 1.01 0.11 -1.41 121.20 128.66 1xru s ILE 163 Ca -0.03 0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.78 1xru s ILE 163 Cb -0.15 -3.42 0.09 0.00 0.01 0.00 0.00 42.46 38.99 1xru s ILE 163 CO -0.02 0.42 0.03 0.20 0.00 0.00 0.00 174.94 175.57 1xru s ASN 164 N 0.54 4.15 -0.47 3.58 0.01 0.37 -1.63 114.94 121.49 1xru s ASN 164 Ca 0.07 -1.62 -0.19 0.00 -0.71 0.00 0.00 52.86 50.42 1xru s ASN 164 Cb -0.12 -1.18 0.04 0.00 0.41 0.00 0.00 41.25 40.40 1xru s ASN 164 CO -0.00 -0.34 0.57 -0.54 -1.51 0.00 0.00 177.10 175.27 1xru s LYS 165 N 1.34 3.13 -0.11 -0.60 1.02 -1.26 -0.00 119.74 123.26 1xru s LYS 165 Ca 0.05 -0.80 -0.09 0.00 0.02 0.00 0.00 55.97 55.15 1xru s LYS 165 Cb -0.18 -4.04 -0.08 0.00 -0.52 0.00 0.00 37.83 33.01 1xru s LYS 165 CO -0.13 -1.08 0.26 1.88 -0.92 0.00 0.00 175.35 175.35 1xru h TYR 166 N 8.90 -0.02 -3.50 3.18 0.05 -1.92 -3.43 116.97 120.22 1xru h TYR 166 Ca -0.27 -0.00 -0.72 0.00 0.05 0.00 0.00 58.73 57.79 1xru h TYR 166 Cb 1.10 0.01 -0.32 0.00 1.01 0.00 0.00 36.73 38.52 1xru h TYR 166 CO 0.71 0.26 -0.35 -0.06 -1.05 0.00 0.00 178.16 177.67 1xru s PHE 167 N -1.85 3.49 0.11 4.88 0.08 -1.26 -4.77 117.98 118.67 1xru s PHE 167 Ca -0.06 -2.33 -0.09 0.00 0.12 0.00 0.00 56.93 54.57 1xru s PHE 167 Cb -0.01 -3.37 -0.00 0.00 -0.57 0.00 0.00 43.02 39.07 1xru s PHE 167 CO 0.21 -0.93 0.22 0.14 -0.10 0.00 0.00 175.22 174.76 1xru s VAL 168 N 0.60 0.12 0.39 -0.44 -7.23 -1.26 -4.21 120.40 108.37 1xru s VAL 168 Ca 0.12 -1.23 0.19 0.00 -1.81 0.00 0.00 61.98 59.25 1xru s VAL 168 Cb -0.21 -1.48 0.39 0.00 0.56 0.00 0.00 36.38 35.63 1xru s VAL 168 CO -0.03 -0.54 1.73 -0.65 -0.31 0.00 0.00 175.10 175.29 1xru h PRO 169 N 2.68 0.35 0.00 4.82 0.11 -1.96 0.18 132.00 138.19 1xru h PRO 169 Ca -0.33 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1xru h PRO 169 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1xru h PRO 169 CO 0.54 0.23 0.00 -0.44 -0.21 0.00 0.00 178.00 178.12 1xru h ASP 170 N 0.36 0.00 0.00 -2.05 3.32 -1.98 -3.30 116.42 112.78 1xru h ASP 170 Ca 0.65 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 57.38 1xru h ASP 170 Cb 1.65 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 41.15 1xru h ASP 170 CO -0.37 0.00 -2.10 0.52 -1.72 0.00 0.00 179.24 175.57 1xru n VAL 171 N -2.31 1.09 -3.82 -1.35 0.31 0.53 -5.10 118.33 107.69 1xru n VAL 171 Ca 0.02 -0.33 -0.06 0.00 -0.01 0.00 0.00 64.34 63.96 1xru n VAL 171 Cb 0.24 -1.53 -0.02 0.00 -0.91 0.00 0.00 33.84 31.62 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 -6.70 -0.25 -0.09 7.52 2.34 -0.50 -5.00 118.68 116.01 1xru s LEU 172 Ca -0.27 -0.54 -0.15 0.00 0.06 0.00 0.00 54.13 53.23 1xru s LEU 172 Cb 0.09 2.57 -0.05 0.00 -0.56 0.00 0.00 46.19 48.25 1xru s LEU 172 CO 0.38 -1.22 0.39 -1.61 -1.06 0.00 0.00 176.35 173.24 1xru s GLU 173 N -3.75 4.13 0.15 1.48 2.02 -1.26 -3.80 118.70 117.68 1xru s GLU 173 Ca 0.11 0.32 0.01 0.00 0.02 0.00 0.00 54.97 55.43 1xru s GLU 173 Cb -0.05 -3.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.79 1xru s GLU 173 CO 0.05 0.40 0.02 0.95 0.02 0.00 0.00 175.26 176.70 1xru s THR 174 N -0.10 0.46 -0.06 3.63 -4.23 -1.26 -4.80 115.64 109.28 1xru s THR 174 Ca 0.22 -1.95 -0.26 0.00 -1.18 0.00 0.00 61.69 58.52 1xru s THR 174 Cb -0.15 -2.06 -0.22 0.00 1.34 0.00 0.00 72.50 71.40 1xru s THR 174 CO 0.09 -0.50 1.08 0.00 -0.54 0.00 0.00 174.62 174.76 1xru n GLN 176 N -4.69 0.11 -3.10 0.00 10.64 -1.26 -4.98 117.38 114.10 1xru n GLN 176 Ca -0.09 0.00 -0.39 0.00 -1.83 0.00 0.00 57.00 54.69 1xru n GLN 176 Cb 0.38 -0.01 -0.05 0.00 -0.86 0.00 0.00 30.24 29.69 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 0.30 2.61 2.96 -1.26 -4.16 118.68 123.55 1xru s LEU 177 Ca 0.00 1.30 0.02 0.00 -0.22 0.00 0.00 54.13 55.23 1xru s LEU 177 Cb 0.00 -3.07 -0.05 0.00 0.50 0.00 0.00 46.19 43.57 1xru s LEU 177 CO 0.00 0.06 0.11 -0.94 -1.32 0.00 0.00 176.35 174.26 1xru s SER 178 N -0.10 1.60 0.00 3.68 1.04 -1.26 -4.79 113.70 113.86 1xru s SER 178 Ca 0.35 -1.46 0.00 0.00 0.48 0.00 0.00 55.95 55.31 1xru s SER 178 Cb -0.19 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.16 1xru s SER 178 CO 0.20 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.25 1xru n GLY 180 N -0.57 1.35 3.05 7.32 0.00 -0.61 -4.29 105.19 111.44 1xru n GLY 180 Ca -0.01 -0.88 -0.27 0.00 0.00 0.00 0.00 46.02 44.87 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 1.70 -0.12 0.99 0.20 0.99 -1.24 118.68 121.21 1xru s LEU 181 Ca 0.00 -0.37 0.02 0.00 0.69 0.00 0.00 54.13 54.48 1xru s LEU 181 Cb 0.00 -0.97 0.01 0.00 -0.43 0.00 0.00 46.19 44.80 1xru s LEU 181 CO 0.00 0.04 -0.19 -0.89 -0.29 0.00 0.00 176.35 175.02 1xru s THR 182 N 0.75 1.78 -0.23 3.68 2.01 -0.15 -0.48 115.64 123.00 1xru s THR 182 Ca -0.12 -0.82 -0.03 0.00 0.31 0.00 0.00 61.69 61.03 1xru s THR 182 Cb -0.16 -1.59 0.01 0.00 0.01 0.00 0.00 72.50 70.77 1xru s THR 182 CO 0.03 0.50 -0.04 -0.70 -0.69 0.00 0.00 174.62 173.71 1xru s GLU 183 N 0.83 3.16 0.29 4.92 2.12 -0.50 -1.44 118.70 128.08 1xru s GLU 183 Ca -0.09 -0.77 -0.28 0.00 0.36 0.00 0.00 54.97 54.19 1xru s GLU 183 Cb -0.16 -3.02 -0.09 0.00 0.26 0.00 0.00 34.13 31.12 1xru s GLU 183 CO -0.00 -0.29 1.04 -0.51 -0.54 0.00 0.00 175.26 174.96 1xru s LEU 184 N 1.43 4.50 0.66 2.70 1.43 -0.75 -1.34 118.68 127.31 1xru s LEU 184 Ca 0.04 2.12 -0.14 0.00 -1.03 0.00 0.00 54.13 55.12 1xru s LEU 184 Cb -0.15 -3.74 -0.00 0.00 0.03 0.00 0.00 46.19 42.32 1xru s LEU 184 CO -0.04 -0.12 1.08 0.00 0.23 0.00 0.00 176.35 177.51 1xru s ALA 185 N -1.28 2.56 0.20 4.21 0.00 -0.47 -4.51 121.76 122.48 1xru s ALA 185 Ca 0.46 0.39 -0.32 0.00 0.00 0.00 0.00 51.96 52.49 1xru s ALA 185 Cb -0.28 -3.26 -0.14 0.00 0.00 0.00 0.00 23.12 19.43 1xru s ALA 185 CO 0.35 -1.17 1.31 -2.30 0.00 0.00 0.00 175.76 173.95 1xru n PRO 186 N -2.53 1.64 -0.58 0.00 -0.02 -1.26 -1.10 135.00 131.15 1xru n PRO 186 Ca 0.09 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1xru n PRO 186 Cb 0.53 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 2.17 1.19 3.61 -1.23 0.00 -1.26 -5.01 105.19 104.66 1xru n GLY 187 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.11 5.09 -0.03 1.61 0.01 -0.26 -4.93 114.94 113.31 1xru s ASN 188 Ca 0.00 0.04 0.03 0.00 -0.71 0.00 0.00 52.86 52.21 1xru s ASN 188 Cb 0.00 -1.60 -0.03 0.00 0.41 0.00 0.00 41.25 40.03 1xru s ASN 188 CO 0.00 0.29 0.01 0.18 -1.51 0.00 0.00 177.10 176.07 1xru n LEU 189 N 2.74 0.00 -4.77 0.60 4.77 -0.81 -3.91 117.00 115.61 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 0.07 -0.06 0.00 -2.33 0.00 0.00 43.42 41.63 1xru n LEU 189 CO 0.30 0.07 0.23 0.26 -1.33 0.00 0.00 177.39 176.92 1xru s TRP 190 N -2.07 3.67 0.07 -1.77 0.52 -0.29 -2.43 118.94 116.63 1xru s TRP 190 Ca -0.01 1.10 0.07 0.00 0.02 0.00 0.00 56.10 57.28 1xru s TRP 190 Cb 0.01 -2.53 -0.03 0.00 -1.15 0.00 0.00 33.47 29.77 1xru s TRP 190 CO 0.11 0.39 -0.20 0.54 0.02 0.00 0.00 176.95 177.82 1xru s ASN 191 N -0.27 2.40 -0.13 2.95 2.20 -0.66 -4.59 114.94 116.84 1xru s ASN 191 Ca 0.28 -0.59 -0.09 0.00 -0.94 0.00 0.00 52.86 51.53 1xru s ASN 191 Cb -0.17 -0.16 0.03 0.00 -2.00 0.00 0.00 41.25 38.95 1xru s ASN 191 CO 0.15 0.10 0.17 0.41 -2.94 0.00 0.00 177.10 174.99 1xru n THR 192 N 1.51 -9.28 -0.84 0.54 -1.04 -1.26 -2.98 114.28 100.93 1xru n THR 192 Ca -0.18 1.93 -0.29 0.00 -2.04 0.00 0.00 64.05 63.47 1xru n THR 192 Cb 0.54 -5.33 0.02 0.00 -1.82 0.00 0.00 70.33 63.74 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 1.94 0.00 -1.65 -2.82 -0.04 -1.26 -4.66 135.00 126.51 1xru n PRO 194 Ca -0.29 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 62.97 1xru n PRO 194 Cb 0.45 -0.77 0.13 0.00 -0.04 0.00 0.00 33.50 33.27 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 -2.76 -0.14 0.06 0.00 -3.43 -1.26 -0.74 115.29 107.01 1xru s HIS 196 Ca 0.53 -0.24 0.00 0.00 -0.80 0.00 0.00 55.06 54.55 1xru s HIS 196 Cb -0.02 0.67 -0.04 0.00 -1.43 0.00 0.00 32.58 31.77 1xru s HIS 196 CO 0.36 -1.00 -0.04 0.95 -2.00 0.00 0.00 174.74 173.01 1xru s THR 197 N -3.45 0.37 -0.24 -5.38 -4.23 -0.86 -4.30 115.64 97.56 1xru s THR 197 Ca 0.12 -1.62 -0.03 0.00 -1.18 0.00 0.00 61.69 58.99 1xru s THR 197 Cb -0.03 -1.26 0.13 0.00 1.34 0.00 0.00 72.50 72.68 1xru s THR 197 CO 0.04 -0.82 0.36 -1.38 -0.54 0.00 0.00 174.62 172.28 1xru s HIS 198 N -3.16 -0.75 0.44 3.99 -3.43 -1.23 -0.24 115.29 110.91 1xru s HIS 198 Ca 0.03 0.76 0.12 0.00 -0.80 0.00 0.00 55.06 55.17 1xru s HIS 198 Cb 0.02 -0.03 1.01 0.00 -1.43 0.00 0.00 32.58 32.16 1xru s HIS 198 CO -0.06 -0.70 2.01 0.93 -2.00 0.00 0.00 174.74 174.93 1xru h GLU 199 N 8.20 0.40 -0.18 -0.38 4.39 -1.88 -2.95 114.58 122.18 1xru h GLU 199 Ca -0.19 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1xru h GLU 199 Cb 1.15 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1xru h GLU 199 CO 0.27 0.26 0.00 0.54 -1.16 0.00 0.00 179.01 178.92 1xru n ARG 200 N -4.47 1.96 -0.57 2.33 1.74 -1.26 -4.88 116.66 111.51 1xru n ARG 200 Ca 0.07 -1.43 0.00 0.00 -0.77 0.00 0.00 57.85 55.72 1xru n ARG 200 Cb 0.27 -1.44 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 0.67 0.00 -3.48 5.56 1.74 -1.12 -1.68 116.66 118.36 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 0.43 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.83 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 -0.00 1.07 -0.08 5.56 2.02 -1.24 -4.47 118.70 121.56 1xru s GLU 203 Ca 0.00 -0.14 0.02 0.00 0.02 0.00 0.00 54.97 54.87 1xru s GLU 203 Cb 0.00 0.50 0.01 0.00 0.10 0.00 0.00 34.13 34.74 1xru s GLU 203 CO 0.00 -0.42 -0.12 0.08 0.02 0.00 0.00 175.26 174.82 1xru s VAL 204 N -2.54 1.19 -0.05 2.63 1.01 -0.05 -1.57 120.40 121.02 1xru s VAL 204 Ca -0.03 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1xru s VAL 204 Cb -0.01 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 1xru s VAL 204 CO -0.03 0.37 -0.02 -0.31 0.00 0.00 0.00 175.10 175.11 1xru s TYR 205 N 0.80 3.06 -0.13 5.22 1.51 -0.59 -1.18 117.35 126.03 1xru s TYR 205 Ca -0.12 0.10 -0.00 0.00 -1.01 0.00 0.00 57.07 56.04 1xru s TYR 205 Cb -0.15 -1.72 0.03 0.00 -0.11 0.00 0.00 41.96 40.01 1xru s TYR 205 CO 0.02 0.43 -0.07 0.12 -1.11 0.00 0.00 175.55 174.94 1xru s PHE 206 N -0.93 1.55 -0.14 2.71 5.36 -0.01 -0.32 117.98 126.20 1xru s PHE 206 Ca 0.15 -0.85 -0.08 0.00 -0.96 0.00 0.00 56.93 55.20 1xru s PHE 206 Cb -0.11 -1.26 -0.04 0.00 -0.34 0.00 0.00 43.02 41.26 1xru s PHE 206 CO 0.05 -0.55 0.15 0.71 -1.46 0.00 0.00 175.22 174.12 1xru s TYR 207 N 1.69 3.55 0.23 10.12 2.02 -0.52 -0.51 117.35 133.92 1xru s TYR 207 Ca 0.04 0.49 -0.06 0.00 -0.37 0.00 0.00 57.07 57.16 1xru s TYR 207 Cb -0.13 -2.01 0.03 0.00 -0.40 0.00 0.00 41.96 39.44 1xru s TYR 207 CO -0.08 0.61 0.41 1.97 -1.57 0.00 0.00 175.55 176.89 1xru n PHE 208 N 2.42 -1.57 -2.76 2.71 1.16 -0.07 0.03 117.46 119.37 1xru n PHE 208 Ca -0.19 -1.20 -0.00 0.00 -1.87 0.00 0.00 57.45 54.19 1xru n PHE 208 Cb 0.54 0.48 -0.00 0.00 -1.61 0.00 0.00 39.48 38.89 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 -1.48 -7.59 -4.59 5.98 3.02 -1.26 -1.81 115.26 107.53 1xru n ASN 209 Ca -0.03 1.34 -0.28 0.00 -0.03 0.00 0.00 54.58 55.58 1xru n ASN 209 Cb 0.35 -4.99 -0.09 0.00 -0.61 0.00 0.00 39.78 34.44 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 -1.53 4.43 0.61 6.41 1.01 -1.26 -4.52 116.67 121.82 1xru s ASP 211 Ca -0.01 -0.45 0.34 0.00 0.71 0.00 0.00 52.55 53.14 1xru s ASP 211 Cb 0.00 -0.84 2.00 0.00 1.01 0.00 0.00 42.92 45.09 1xru s ASP 211 CO 0.71 0.14 2.28 0.44 0.21 0.00 0.00 175.17 178.95 1xru h ASP 212 N 3.21 0.00 -0.67 0.27 3.32 -2.04 -1.64 116.42 118.87 1xru h ASP 212 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1xru h ASP 212 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1xru h ASP 212 CO 0.54 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.16 1xru n ASP 213 N -3.62 4.28 -4.77 6.45 5.75 -1.26 -4.97 116.55 118.42 1xru n ASP 213 Ca -0.03 -2.22 -0.23 0.00 -0.01 0.00 0.00 54.79 52.30 1xru n ASP 213 Cb 0.09 -0.52 -0.06 0.00 -1.03 0.00 0.00 41.12 39.60 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 -1.41 3.67 0.31 2.12 0.00 -0.62 -5.07 121.76 120.76 1xru s ALA 214 Ca 0.49 -2.00 -0.14 0.00 0.00 0.00 0.00 51.96 50.31 1xru s ALA 214 Cb 0.28 -0.60 0.02 0.00 0.00 0.00 0.00 23.12 22.82 1xru s ALA 214 CO 0.28 -0.13 0.62 0.00 0.00 0.00 0.00 175.76 176.53 1xru s VAL 216 N -3.40 0.93 -0.66 0.00 1.01 -1.26 -1.59 120.40 115.43 1xru s VAL 216 Ca 0.19 -0.36 -0.20 0.00 0.00 0.00 0.00 61.98 61.61 1xru s VAL 216 Cb -0.03 -0.87 0.10 0.00 0.00 0.00 0.00 36.38 35.58 1xru s VAL 216 CO 0.11 0.31 0.83 -0.36 0.00 0.00 0.00 175.10 175.99 1xru s PHE 217 N 0.70 2.93 0.00 5.22 0.08 0.74 -4.33 117.98 123.31 1xru s PHE 217 Ca -0.13 -0.91 0.00 0.00 0.12 0.00 0.00 56.93 56.01 1xru s PHE 217 Cb -0.15 -4.13 0.00 0.00 -0.57 0.00 0.00 43.02 38.17 1xru s PHE 217 CO 0.02 -1.42 0.00 1.58 -0.10 0.00 0.00 175.22 175.30 1xru n HIS 218 N 6.72 0.00 0.00 0.36 -0.00 -0.45 -1.78 115.22 120.06 1xru n HIS 218 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.68 1xru n HIS 218 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.43 1xru n HIS 218 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1xru n GLY 221 N 5.00 1.51 3.76 1.57 0.00 -1.26 -1.31 105.19 114.47 1xru n GLY 221 Ca 0.00 -2.13 -0.37 0.00 0.00 0.00 0.00 46.02 43.52 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 -1.65 3.33 0.34 1.61 -0.21 -1.25 -1.61 119.66 120.23 1xru s GLN 222 Ca 0.00 1.87 0.14 0.00 0.02 0.00 0.00 55.36 57.39 1xru s GLN 222 Cb 0.00 -2.18 1.08 0.00 1.00 0.00 0.00 33.01 32.91 1xru s GLN 222 CO 0.00 -0.93 1.64 -1.35 -2.12 0.00 0.00 175.29 172.53 1xru h PRO 223 N 1.46 0.22 -0.20 2.91 0.11 -1.98 0.21 132.00 134.73 1xru h PRO 223 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1xru h PRO 223 Cb 1.28 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1xru h PRO 223 CO 0.58 0.14 0.00 1.04 -0.21 0.00 0.00 178.00 179.55 1xru n GLN 224 N -5.14 2.07 -2.90 1.05 1.13 -1.26 -4.29 117.38 108.04 1xru n GLN 224 Ca 0.31 -1.60 -0.13 0.00 -1.94 0.00 0.00 57.00 53.64 1xru n GLN 224 Cb 1.00 -1.46 0.01 0.00 0.11 0.00 0.00 30.24 29.90 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 0.85 1.06 -2.22 -1.09 4.07 0.71 -5.12 120.64 118.90 1xru n GLU 225 Ca 0.17 -3.27 -0.34 0.00 -0.06 0.00 0.00 57.16 53.67 1xru n GLU 225 Cb 0.47 -1.43 -0.00 0.00 -0.06 0.00 0.00 31.44 30.42 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 -2.71 3.61 0.24 6.31 -4.23 -0.99 -3.74 115.64 114.13 1xru s THR 226 Ca 0.33 0.88 0.02 0.00 -1.18 0.00 0.00 61.69 61.74 1xru s THR 226 Cb 0.41 -3.35 -0.04 0.00 1.34 0.00 0.00 72.50 70.86 1xru s THR 226 CO -0.02 -0.33 0.17 -0.13 -0.54 0.00 0.00 174.62 173.77 1xru s ARG 227 N -3.64 1.38 0.05 3.99 1.81 -1.26 -4.98 118.95 116.29 1xru s ARG 227 Ca 0.67 -1.76 -0.05 0.00 -1.72 0.00 0.00 55.73 52.87 1xru s ARG 227 Cb -0.18 0.26 -0.01 0.00 -0.45 0.00 0.00 34.95 34.56 1xru s ARG 227 CO 0.30 -0.46 0.08 -3.38 -0.68 0.00 0.00 175.30 171.16 1xru s HIS 228 N -3.92 0.25 -0.10 -0.53 -3.43 -1.26 -4.66 115.29 101.64 1xru s HIS 228 Ca 0.39 -0.61 0.01 0.00 -0.80 0.00 0.00 55.06 54.06 1xru s HIS 228 Cb 0.06 -0.17 0.02 0.00 -1.43 0.00 0.00 32.58 31.05 1xru s HIS 228 CO 0.17 -0.39 -0.13 0.42 -2.00 0.00 0.00 174.74 172.81 1xru s ILE 229 N -2.95 1.31 0.42 -5.38 1.01 -0.43 -4.96 121.20 110.22 1xru s ILE 229 Ca -0.02 -0.53 -0.07 0.00 0.00 0.00 0.00 60.65 60.03 1xru s ILE 229 Cb 0.01 -1.22 -0.05 0.00 0.01 0.00 0.00 42.46 41.21 1xru s ILE 229 CO -0.06 0.40 0.74 -0.69 0.00 0.00 0.00 174.94 175.33 1xru s VAL 230 N 1.02 4.89 0.38 2.92 1.01 -1.26 -1.34 120.40 128.01 1xru s VAL 230 Ca -0.07 0.31 -0.12 0.00 0.00 0.00 0.00 61.98 62.10 1xru s VAL 230 Cb -0.15 -3.80 0.04 0.00 0.00 0.00 0.00 36.38 32.48 1xru s VAL 230 CO -0.01 -0.64 0.71 -1.38 0.00 0.00 0.00 175.10 173.78 1xru s HIS 232 N -2.49 0.38 0.07 5.22 -3.43 -1.26 -4.95 115.29 108.83 1xru s HIS 232 Ca 0.48 -0.95 -0.37 0.00 -0.80 0.00 0.00 55.06 53.43 1xru s HIS 232 Cb -0.10 0.60 -0.18 0.00 -1.43 0.00 0.00 32.58 31.46 1xru s HIS 232 CO 0.37 -1.47 1.10 -1.71 -2.00 0.00 0.00 174.74 171.03 1xru n ASN 233 N -1.45 0.50 -3.42 7.38 5.15 -1.26 -3.23 115.26 118.92 1xru n ASN 233 Ca -0.06 1.14 -0.18 0.00 -0.60 0.00 0.00 54.58 54.88 1xru n ASN 233 Cb 0.60 -1.04 0.07 0.00 -0.53 0.00 0.00 39.78 38.88 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 1.75 -4.18 -4.19 1.20 1.02 0.10 -4.97 120.64 111.37 1xru n GLU 234 Ca 0.19 0.79 -0.17 0.00 -0.02 0.00 0.00 57.16 57.94 1xru n GLU 234 Cb 0.15 -5.60 -0.12 0.00 -0.02 0.00 0.00 31.44 25.85 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 -5.13 0.74 0.25 3.49 -0.21 -1.09 -4.06 119.66 113.64 1xru s GLN 235 Ca 0.22 -0.81 0.11 0.00 0.02 0.00 0.00 55.36 54.90 1xru s GLN 235 Cb -0.04 -0.69 -0.05 0.00 1.00 0.00 0.00 33.01 33.24 1xru s GLN 235 CO 0.76 0.15 -0.14 0.00 -2.12 0.00 0.00 175.29 173.95 1xru s ALA 236 N -1.13 2.86 -0.02 6.09 0.00 -0.88 -1.43 121.76 127.25 1xru s ALA 236 Ca -0.03 -1.71 0.01 0.00 0.00 0.00 0.00 51.96 50.22 1xru s ALA 236 Cb -0.09 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.56 1xru s ALA 236 CO 0.01 0.33 -0.03 0.54 0.00 0.00 0.00 175.76 176.62 1xru s VAL 237 N -2.19 0.31 -0.12 0.00 0.11 0.57 -0.35 120.40 118.73 1xru s VAL 237 Ca 0.28 -0.07 -0.17 0.00 -2.93 0.00 0.00 61.98 59.09 1xru s VAL 237 Cb -0.06 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.42 1xru s VAL 237 CO 0.15 0.14 0.44 -0.63 -3.33 0.00 0.00 175.10 171.87 1xru s ILE 238 N 0.49 5.19 -0.22 7.04 1.01 -0.25 -1.55 121.20 132.92 1xru s ILE 238 Ca -0.05 0.88 -0.01 0.00 0.00 0.00 0.00 60.65 61.47 1xru s ILE 238 Cb -0.08 -3.78 0.02 0.00 0.01 0.00 0.00 42.46 38.63 1xru s ILE 238 CO -0.01 0.36 -0.12 -0.55 0.00 0.00 0.00 174.94 174.62 1xru s SER 239 N 0.47 3.87 0.88 3.58 0.15 -0.61 -4.81 113.70 117.22 1xru s SER 239 Ca 0.24 -0.76 -0.10 0.00 0.70 0.00 0.00 55.95 56.03 1xru s SER 239 Cb -0.15 -1.59 0.12 0.00 -1.71 0.00 0.00 66.02 62.69 1xru s SER 239 CO 0.09 -0.07 1.13 -2.84 1.20 0.00 0.00 173.24 172.76 1xru s PRO 240 N 1.32 1.34 0.52 5.44 0.02 -1.26 -3.70 135.00 138.66 1xru s PRO 240 Ca 0.02 1.43 0.20 0.00 0.02 0.00 0.00 61.00 62.68 1xru s PRO 240 Cb -0.15 -1.77 1.35 0.00 0.02 0.00 0.00 34.50 33.94 1xru s PRO 240 CO -0.08 -2.37 2.12 0.77 -0.33 0.00 0.00 177.00 177.11 1xru h SER 241 N -1.68 0.00 0.28 2.53 0.02 -1.84 -1.46 113.55 111.40 1xru h SER 241 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1xru h SER 241 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1xru h SER 241 CO 0.44 0.07 -0.06 -2.67 -1.14 0.00 0.00 176.83 173.47 1xru n TRP 242 N -4.19 0.00 -3.98 3.45 4.27 -1.26 -3.50 117.44 112.22 1xru n TRP 242 Ca -0.03 0.00 -0.31 0.00 -3.89 0.00 0.00 57.50 53.28 1xru n TRP 242 Cb 0.15 -0.14 -0.05 0.00 -1.36 0.00 0.00 31.31 29.91 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 -2.34 5.94 0.75 -0.67 0.15 -0.55 -4.14 113.70 112.84 1xru s SER 243 Ca 0.34 0.13 -0.07 0.00 0.70 0.00 0.00 55.95 57.05 1xru s SER 243 Cb 0.21 -1.72 0.09 0.00 -1.71 0.00 0.00 66.02 62.89 1xru s SER 243 CO 0.44 0.17 1.06 0.27 1.20 0.00 0.00 173.24 176.38 1xru s ILE 244 N -1.45 2.21 -0.30 6.45 -4.36 -0.63 -4.70 121.20 118.43 1xru s ILE 244 Ca 0.32 -0.29 0.03 0.00 -0.26 0.00 0.00 60.65 60.45 1xru s ILE 244 Cb -0.13 -2.92 0.17 0.00 1.25 0.00 0.00 42.46 40.83 1xru s ILE 244 CO 0.25 0.00 0.45 -1.38 0.24 0.00 0.00 174.94 174.50 1xru s HIS 245 N -3.33 -1.19 0.03 1.37 -3.43 -1.26 -4.03 115.29 103.46 1xru s HIS 245 Ca 0.63 0.43 -0.03 0.00 -0.80 0.00 0.00 55.06 55.29 1xru s HIS 245 Cb -0.09 -0.05 -0.02 0.00 -1.43 0.00 0.00 32.58 30.99 1xru s HIS 245 CO 0.46 -1.02 0.04 -1.12 -2.00 0.00 0.00 174.74 171.10 1xru s SER 246 N 2.53 0.23 0.03 7.38 0.01 -1.26 -4.76 113.70 117.86 1xru s SER 246 Ca 0.10 -0.56 -0.08 0.00 1.31 0.00 0.00 55.95 56.72 1xru s SER 246 Cb -0.12 0.18 -0.00 0.00 0.21 0.00 0.00 66.02 66.29 1xru s SER 246 CO -0.28 -0.44 0.16 -0.83 0.41 0.00 0.00 173.24 172.26 1xru s GLY 247 N -1.95 0.07 -0.06 3.44 0.00 -1.16 -4.48 107.32 103.19 1xru s GLY 247 Ca -0.08 -0.34 -0.00 0.00 0.00 0.00 0.00 44.72 44.30 1xru s GLY 247 CO -0.04 -0.50 -0.02 0.54 0.00 0.00 0.00 173.10 173.09 1xru s VAL 248 N -2.43 0.44 0.68 1.40 0.11 -0.74 -1.65 120.40 118.22 1xru s VAL 248 Ca -0.06 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.00 1xru s VAL 248 Cb -0.02 -0.53 0.11 0.00 -1.53 0.00 0.00 36.38 34.42 1xru s VAL 248 CO -0.03 0.23 0.94 -0.83 -3.33 0.00 0.00 175.10 172.08 1xru s GLY 249 N 1.41 1.76 0.00 6.54 0.00 -1.02 -0.19 107.32 115.82 1xru s GLY 249 Ca -0.04 -1.79 0.22 0.00 0.00 0.00 0.00 44.72 43.12 1xru s GLY 249 CO -0.03 -1.26 1.04 -1.30 0.00 0.00 0.00 173.10 171.56 1xru n THR 250 N -2.69 0.00 -3.80 0.90 -2.24 -0.62 -4.88 114.28 100.94 1xru n THR 250 Ca 0.15 -0.06 -0.09 0.00 -2.27 0.00 0.00 64.05 61.77 1xru n THR 250 Cb 0.61 0.93 -0.04 0.00 -2.10 0.00 0.00 70.33 69.73 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 -2.86 1.45 0.71 -0.78 1.02 -1.26 -4.98 119.74 113.04 1xru s LYS 251 Ca 0.11 -0.95 -0.15 0.00 0.02 0.00 0.00 55.97 55.01 1xru s LYS 251 Cb 0.17 0.52 0.03 0.00 -0.52 0.00 0.00 37.83 38.03 1xru s LYS 251 CO 0.77 -0.62 1.17 0.00 -0.92 0.00 0.00 175.35 175.74 1xru s ALA 252 N -3.90 2.22 0.34 5.17 0.00 -1.25 -4.83 121.76 119.51 1xru s ALA 252 Ca 0.12 0.73 -0.08 0.00 0.00 0.00 0.00 51.96 52.73 1xru s ALA 252 Cb -0.01 -3.41 0.03 0.00 0.00 0.00 0.00 23.12 19.73 1xru s ALA 252 CO 0.00 -1.69 0.60 2.48 0.00 0.00 0.00 175.76 177.15 1xru n TYR 253 N -2.69 -1.85 -4.24 0.00 0.18 -1.26 -4.81 117.16 102.49 1xru n TYR 253 Ca 0.12 -1.89 -0.22 0.00 1.88 0.00 0.00 57.90 57.79 1xru n TYR 253 Cb 0.51 0.69 -0.12 0.00 -0.38 0.00 0.00 39.34 40.04 1xru n TYR 253 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 1xru s THR 254 N -2.45 1.47 0.07 -3.48 2.01 -0.75 -1.80 115.64 110.70 1xru s THR 254 Ca 0.20 -1.46 -0.11 0.00 0.31 0.00 0.00 61.69 60.63 1xru s THR 254 Cb -0.03 -1.37 0.01 0.00 0.01 0.00 0.00 72.50 71.12 1xru s THR 254 CO 0.14 -0.14 0.25 0.72 -0.69 0.00 0.00 174.62 174.90 1xru s PHE 255 N -1.24 0.02 -0.03 4.92 -0.12 -0.52 -0.89 117.98 120.11 1xru s PHE 255 Ca 0.03 -0.30 0.06 0.00 -0.05 0.00 0.00 56.93 56.67 1xru s PHE 255 Cb -0.10 0.03 -0.02 0.00 -0.63 0.00 0.00 43.02 42.29 1xru s PHE 255 CO 0.03 -0.52 -0.21 0.42 -0.05 0.00 0.00 175.22 174.89 1xru s ILE 256 N -3.18 2.48 0.03 -4.49 1.01 0.33 -0.98 121.20 116.41 1xru s ILE 256 Ca -0.00 -0.94 0.07 0.00 0.00 0.00 0.00 60.65 59.77 1xru s ILE 256 Cb 0.02 -1.91 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 1xru s ILE 256 CO -0.07 0.58 -0.20 -1.66 0.00 0.00 0.00 174.94 173.59 1xru s TRP 257 N -0.65 2.51 0.37 3.97 1.48 -0.37 -0.83 118.94 125.42 1xru s TRP 257 Ca 0.10 -0.29 0.04 0.00 -1.06 0.00 0.00 56.10 54.89 1xru s TRP 257 Cb -0.10 -1.46 -0.03 0.00 -1.16 0.00 0.00 33.47 30.71 1xru s TRP 257 CO -0.00 0.21 0.13 0.20 -4.06 0.00 0.00 176.95 173.42 1xru s GLY 258 N -1.30 2.40 0.00 3.67 0.00 -0.33 -1.57 107.32 110.20 1xru s GLY 258 Ca 0.13 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.36 1xru s GLY 258 CO 0.04 -1.76 0.00 3.33 0.00 0.00 0.00 173.10 174.71 1xru n VAL 260 N -0.80 0.00 -3.27 1.40 0.24 -1.26 -0.87 118.33 113.77 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 -0.31 -0.70 0.19 7.63 0.00 -1.26 -4.42 105.19 106.32 1xru n GLY 261 Ca 0.00 -1.32 0.14 0.00 0.00 0.00 0.00 46.02 44.84 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 0.83 -3.88 1.61 0.28 -0.67 -4.88 120.64 113.93 1xru n GLU 262 Ca 0.00 -0.39 -0.09 0.00 -0.16 0.00 0.00 57.16 56.52 1xru n GLU 262 Cb 0.00 -1.49 -0.05 0.00 1.43 0.00 0.00 31.44 31.33 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 -0.12 -0.30 -1.84 2.20 -1.26 -5.05 114.94 106.14 1xru s ASN 263 Ca 0.28 -0.73 0.08 0.00 -0.94 0.00 0.00 52.86 51.56 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 -1.03 1.18 0.00 -2.94 0.00 0.00 177.10 174.79 1xru n GLN 264 N -0.31 3.43 -3.21 3.55 6.02 -1.26 -4.92 117.38 120.68 1xru n GLN 264 Ca -0.07 -4.13 -0.46 0.00 -0.01 0.00 0.00 57.00 52.34 1xru n GLN 264 Cb 0.62 -2.21 -0.03 0.00 1.02 0.00 0.00 30.24 29.64 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 -4.57 5.19 -0.13 5.09 1.01 -1.26 -4.91 120.40 120.82 1xru s VAL 265 Ca 0.49 -1.75 0.28 0.00 0.00 0.00 0.00 61.98 60.99 1xru s VAL 265 Cb 0.40 -4.49 0.29 0.00 0.00 0.00 0.00 36.38 32.58 1xru s VAL 265 CO 0.02 -1.09 1.83 -0.26 0.00 0.00 0.00 175.10 175.60 1xru h PHE 266 N 8.53 0.00 -0.02 5.22 0.04 -2.06 -1.47 116.94 127.19 1xru h PHE 266 Ca -0.07 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.70 1xru h PHE 266 Cb 1.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.21 1xru h PHE 266 CO 0.94 0.00 -0.17 -0.40 -0.60 0.00 0.00 178.31 178.08 1xru n ASP 267 N -2.50 1.70 -4.50 2.17 5.68 -1.26 -5.08 116.55 112.75 1xru n ASP 267 Ca -0.00 -1.39 -0.42 0.00 -0.50 0.00 0.00 54.79 52.47 1xru n ASP 267 Cb 0.15 0.13 -0.03 0.00 -1.14 0.00 0.00 41.12 40.23 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 -2.25 6.34 -0.26 -1.12 3.68 -0.56 -5.06 116.67 117.44 1xru s ASP 268 Ca 0.28 -1.17 0.01 0.00 2.13 0.00 0.00 52.55 53.80 1xru s ASP 268 Cb 0.20 -2.49 0.07 0.00 -1.45 0.00 0.00 42.92 39.25 1xru s ASP 268 CO 0.43 -1.49 -0.01 -0.62 0.13 0.00 0.00 175.17 173.61 1xru s ASP 270 N 4.00 3.96 0.31 -0.34 3.68 0.67 -4.81 116.67 124.15 1xru s ASP 270 Ca 0.33 -1.37 -0.29 0.00 2.13 0.00 0.00 52.55 53.36 1xru s ASP 270 Cb -0.08 -1.17 -0.10 0.00 -1.45 0.00 0.00 42.92 40.13 1xru s ASP 270 CO 0.03 -0.29 1.19 -1.00 0.13 0.00 0.00 175.17 175.23 1xru s HIS 271 N 1.38 3.33 -0.20 -5.34 3.76 -1.26 -2.02 115.29 114.93 1xru s HIS 271 Ca -0.01 1.58 0.01 0.00 -0.15 0.00 0.00 55.06 56.48 1xru s HIS 271 Cb -0.19 -3.45 0.05 0.00 1.11 0.00 0.00 32.58 30.10 1xru s HIS 271 CO -0.09 -1.13 -0.09 0.08 -0.85 0.00 0.00 174.74 172.66 1xru s VAL 272 N -1.18 1.56 0.12 -0.90 1.01 0.08 -4.96 120.40 116.13 1xru s VAL 272 Ca 0.47 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 1xru s VAL 272 Cb -0.35 -1.70 -0.07 0.00 0.00 0.00 0.00 36.38 34.27 1xru s VAL 272 CO 0.45 0.10 1.19 0.00 0.00 0.00 0.00 175.10 176.84 1xru s ALA 273 N 1.42 3.41 0.54 5.51 0.00 -1.26 -2.97 121.76 128.40 1xru s ALA 273 Ca -0.02 0.88 0.26 0.00 0.00 0.00 0.00 51.96 53.08 1xru s ALA 273 Cb -0.17 -3.42 1.42 0.00 0.00 0.00 0.00 23.12 20.95 1xru s ALA 273 CO -0.08 -0.39 1.99 -0.24 0.00 0.00 0.00 175.76 177.05 1xru h VAL 274 N 4.17 0.69 0.00 0.00 3.04 -1.96 0.93 116.25 123.11 1xru h VAL 274 Ca -0.43 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.25 1xru h VAL 274 Cb 1.21 0.73 -0.00 0.00 -2.01 0.00 0.00 31.29 31.22 1xru h VAL 274 CO 0.78 0.00 -0.07 0.07 -1.01 0.00 0.00 177.57 177.34 1xru h LYS 275 N 0.00 0.00 -0.04 4.17 2.10 -1.92 -1.51 116.57 119.38 1xru h LYS 275 Ca 0.24 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.77 1xru h LYS 275 Cb 1.01 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.32 1xru h LYS 275 CO -0.00 0.07 -0.54 0.93 -2.00 0.00 0.00 179.45 177.91 1xru h GLU 276 N 0.00 0.10 -0.06 0.07 5.08 -1.19 -3.08 114.58 115.51 1xru h GLU 276 Ca -0.00 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.16 1xru h GLU 276 Cb 0.29 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1xru h GLU 276 CO 0.01 0.61 -0.61 0.82 -1.00 0.00 0.00 179.01 178.84 1xru h ILE 277 N 0.08 1.40 -0.02 3.13 2.04 -1.35 -3.48 117.51 119.30 1xru h ILE 277 Ca -0.00 -2.00 0.00 0.00 1.00 0.00 0.00 64.86 63.86 1xru h ILE 277 Cb 0.97 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 1xru h ILE 277 CO 0.08 0.59 0.00 0.00 0.00 0.00 0.00 178.15 178.81