#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rs4 n GLN 2 N 0.00 2.99 -2.48 2.12 6.02 -1.26 -5.01 117.38 119.76 1rs4 n GLN 2 Ca 0.00 -2.47 -0.38 0.00 -0.01 0.00 0.00 57.00 54.14 1rs4 n GLN 2 Cb 0.00 -1.57 -0.04 0.00 1.02 0.00 0.00 30.24 29.65 1rs4 n GLN 2 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1rs4 s ASP 3 N -1.38 6.96 0.00 1.08 1.11 -1.26 -5.02 116.67 118.16 1rs4 s ASP 3 Ca 0.34 2.18 -0.12 0.00 0.18 0.00 0.00 52.55 55.14 1rs4 s ASP 3 Cb 0.23 -2.61 0.01 0.00 1.07 0.00 0.00 42.92 41.63 1rs4 s ASP 3 CO 0.14 -0.36 0.24 0.42 1.18 0.00 0.00 175.17 176.79 1rs4 s THR 4 N -1.40 0.08 -0.10 -1.27 -4.23 -1.26 -2.56 115.64 104.90 1rs4 s THR 4 Ca 0.52 -0.63 0.02 0.00 -1.18 0.00 0.00 61.69 60.42 1rs4 s THR 4 Cb -0.28 -0.64 -0.02 0.00 1.34 0.00 0.00 72.50 72.91 1rs4 s THR 4 CO 0.35 -0.34 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.30 1rs4 s ILE 5 N -1.65 2.84 0.09 2.99 1.01 -0.35 -4.93 121.20 121.21 1rs4 s ILE 5 Ca -0.12 -0.76 0.04 0.00 0.00 0.00 0.00 60.65 59.81 1rs4 s ILE 5 Cb -0.05 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.24 1rs4 s ILE 5 CO 0.02 0.55 -0.10 0.72 0.00 0.00 0.00 174.94 176.12 1rs4 s PHE 6 N 0.04 1.05 -0.23 3.97 -0.12 -1.26 -1.03 117.98 120.41 1rs4 s PHE 6 Ca -0.06 -0.65 -0.02 0.00 -0.05 0.00 0.00 56.93 56.15 1rs4 s PHE 6 Cb -0.15 -0.58 0.07 0.00 -0.63 0.00 0.00 43.02 41.74 1rs4 s PHE 6 CO 0.05 -0.00 0.05 -0.51 -0.05 0.00 0.00 175.22 174.75 1rs4 s LEU 7 N -2.40 1.38 0.08 -1.99 1.02 -0.20 -5.01 118.68 111.55 1rs4 s LEU 7 Ca 0.05 -1.03 0.03 0.00 0.02 0.00 0.00 54.13 53.20 1rs4 s LEU 7 Cb -0.03 -0.64 -0.04 0.00 0.02 0.00 0.00 46.19 45.49 1rs4 s LEU 7 CO -0.00 -0.34 0.07 -0.54 0.02 0.00 0.00 176.35 175.56 1rs4 s LYS 8 N 1.82 2.84 -1.54 1.70 1.02 -1.26 -0.83 119.74 123.49 1rs4 s LYS 8 Ca 0.02 -0.70 -0.12 0.00 0.02 0.00 0.00 55.97 55.19 1rs4 s LYS 8 Cb -0.17 -2.70 0.08 0.00 -0.52 0.00 0.00 37.83 34.52 1rs4 s LYS 8 CO -0.13 0.56 0.81 0.41 -0.92 0.00 0.00 175.35 176.08 1rs4 n GLY 9 N 0.50 -0.42 3.74 -3.33 0.00 -1.10 -4.92 105.19 99.66 1rs4 n GLY 9 Ca -0.09 0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1rs4 n GLY 9 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rs4 s MET 10 N -6.62 4.52 -0.09 1.61 -1.94 0.98 -4.74 119.30 113.01 1rs4 s MET 10 Ca 0.51 1.83 0.02 0.00 -1.71 0.00 0.00 55.69 56.34 1rs4 s MET 10 Cb -0.26 -3.25 0.01 0.00 2.01 0.00 0.00 34.83 33.34 1rs4 s MET 10 CO 0.86 -0.04 -0.14 1.03 -0.01 0.00 0.00 175.02 176.72 1rs4 s ARG 11 N -0.29 2.02 0.03 2.03 0.52 -1.26 0.17 118.95 122.16 1rs4 s ARG 11 Ca 0.52 -0.50 0.04 0.00 -0.52 0.00 0.00 55.73 55.26 1rs4 s ARG 11 Cb -0.32 -1.68 -0.02 0.00 0.52 0.00 0.00 34.95 33.45 1rs4 s ARG 11 CO 0.36 -0.01 -0.12 -0.06 0.02 0.00 0.00 175.30 175.49 1rs4 s PHE 12 N 0.81 1.09 -0.43 -0.53 0.08 0.00 -4.95 117.98 114.05 1rs4 s PHE 12 Ca -0.11 -0.32 -0.19 0.00 0.12 0.00 0.00 56.93 56.44 1rs4 s PHE 12 Cb -0.16 -0.66 0.03 0.00 -0.57 0.00 0.00 43.02 41.66 1rs4 s PHE 12 CO 0.02 0.01 0.52 -0.47 -0.10 0.00 0.00 175.22 175.20 1rs4 s TYR 13 N -0.72 3.13 0.49 0.36 6.14 -1.26 0.33 117.35 125.81 1rs4 s TYR 13 Ca 0.01 -0.29 0.01 0.00 0.64 0.00 0.00 57.07 57.45 1rs4 s TYR 13 Cb -0.07 -3.10 -0.00 0.00 0.42 0.00 0.00 41.96 39.21 1rs4 s TYR 13 CO 0.01 -0.79 0.04 0.41 0.64 0.00 0.00 175.55 175.86 1rs4 n GLY 14 N 5.09 3.47 0.30 8.97 0.00 0.70 -4.87 105.19 118.85 1rs4 n GLY 14 Ca -0.05 -2.31 0.07 0.00 0.00 0.00 0.00 46.02 43.73 1rs4 n GLY 14 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1rs4 n TYR 15 N -1.20 0.00 -1.37 1.61 4.02 -1.26 -0.18 117.16 118.79 1rs4 n TYR 15 Ca -0.17 -0.89 -0.31 0.00 -0.01 0.00 0.00 57.90 56.52 1rs4 n TYR 15 Cb 0.65 -0.15 0.09 0.00 -0.02 0.00 0.00 39.34 39.91 1rs4 n TYR 15 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1rs4 s HIS 16 N -2.32 2.70 0.00 -0.72 3.76 -1.26 -3.65 115.29 113.81 1rs4 s HIS 16 Ca 0.28 1.40 0.00 0.00 -0.15 0.00 0.00 55.06 56.59 1rs4 s HIS 16 Cb 0.25 -3.04 0.00 0.00 1.11 0.00 0.00 32.58 30.91 1rs4 s HIS 16 CO -0.00 -1.76 0.00 0.41 -0.85 0.00 0.00 174.74 172.54 1rs4 n GLY 17 N -1.52 4.92 0.00 -2.22 0.00 -0.20 -4.52 105.19 101.64 1rs4 n GLY 17 Ca 0.08 -1.02 0.11 0.00 0.00 0.00 0.00 46.02 45.19 1rs4 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rs4 n ALA 18 N -2.00 2.10 -2.76 4.61 0.00 -1.19 -4.53 120.51 116.73 1rs4 n ALA 18 Ca 0.00 -0.09 -0.35 0.00 0.00 0.00 0.00 53.44 53.00 1rs4 n ALA 18 Cb 0.00 -1.37 -0.09 0.00 0.00 0.00 0.00 19.45 17.99 1rs4 n ALA 18 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1rs4 s LEU 19 N -2.83 4.07 0.27 0.00 2.96 -1.26 -5.00 118.68 116.89 1rs4 s LEU 19 Ca 0.15 0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.25 1rs4 s LEU 19 Cb 0.15 -2.04 0.61 0.00 0.50 0.00 0.00 46.19 45.41 1rs4 s LEU 19 CO 0.39 0.18 1.74 0.28 -1.32 0.00 0.00 176.35 177.62 1rs4 h SER 20 N 6.64 0.47 -0.54 3.68 0.02 -2.00 0.70 113.55 122.52 1rs4 h SER 20 Ca -0.40 0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 60.63 1rs4 h SER 20 Cb 1.16 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.72 1rs4 h SER 20 CO 0.74 0.14 0.22 0.00 -1.14 0.00 0.00 176.83 176.79 1rs4 h ALA 21 N 1.62 1.31 0.26 3.77 0.00 -1.96 -1.75 119.26 122.49 1rs4 h ALA 21 Ca 0.50 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 1rs4 h ALA 21 Cb 0.81 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1rs4 h ALA 21 CO -0.42 0.51 -0.14 0.93 0.00 0.00 0.00 179.25 180.13 1rs4 h GLU 22 N 0.83 -0.36 0.00 0.00 5.08 -1.23 0.83 114.58 119.73 1rs4 h GLU 22 Ca 0.20 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1rs4 h GLU 22 Cb 0.18 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1rs4 h GLU 22 CO -0.02 -0.24 -0.00 -0.91 -1.00 0.00 0.00 179.01 176.84 1rs4 h ASN 23 N -0.37 0.00 0.03 1.42 2.35 -1.18 1.01 115.58 118.84 1rs4 h ASN 23 Ca -0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1rs4 h ASN 23 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1rs4 h ASN 23 CO 0.04 0.00 -0.01 -0.08 -1.65 0.00 0.00 177.43 175.73 1rs4 h GLU 24 N 0.00 -0.04 0.16 0.81 4.81 -0.58 -3.40 114.58 116.34 1rs4 h GLU 24 Ca -0.00 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.00 1rs4 h GLU 24 Cb 0.01 0.01 0.02 0.00 0.63 0.00 0.00 28.75 29.42 1rs4 h GLU 24 CO 0.00 0.57 -1.09 0.82 -0.73 0.00 0.00 179.01 178.58 1rs4 h ILE 25 N -0.96 1.35 0.00 2.32 2.04 -0.61 -3.51 117.51 118.14 1rs4 h ILE 25 Ca -0.00 -2.54 0.00 0.00 1.00 0.00 0.00 64.86 63.32 1rs4 h ILE 25 Cb 0.63 3.06 0.00 0.00 -0.74 0.00 0.00 36.82 39.77 1rs4 h ILE 25 CO 0.01 0.73 0.00 0.61 0.00 0.00 0.00 178.15 179.50 1rs4 n GLY 26 N 1.70 -1.43 2.65 5.37 0.00 0.35 -5.00 105.19 108.83 1rs4 n GLY 26 Ca -0.17 -1.56 -0.03 0.00 0.00 0.00 0.00 46.02 44.26 1rs4 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rs4 n GLN 27 N -1.56 0.55 -3.60 1.61 10.64 0.75 -4.98 117.38 120.79 1rs4 n GLN 27 Ca 0.00 -1.18 -0.36 0.00 -1.83 0.00 0.00 57.00 53.62 1rs4 n GLN 27 Cb 0.00 1.55 -0.07 0.00 -0.86 0.00 0.00 30.24 30.86 1rs4 n GLN 27 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1rs4 s ILE 28 N -2.26 5.31 -0.16 -0.39 -1.09 -1.26 -0.21 121.20 121.13 1rs4 s ILE 28 Ca 0.14 0.49 -0.02 0.00 -2.23 0.00 0.00 60.65 59.04 1rs4 s ILE 28 Cb -0.02 -3.59 -0.02 0.00 -1.58 0.00 0.00 42.46 37.25 1rs4 s ILE 28 CO 0.05 0.45 -0.09 -0.36 -1.23 0.00 0.00 174.94 173.76 1rs4 s PHE 29 N 0.09 2.90 -0.20 3.97 0.40 0.15 -4.42 117.98 120.88 1rs4 s PHE 29 Ca 0.16 -0.66 -0.10 0.00 -0.60 0.00 0.00 56.93 55.73 1rs4 s PHE 29 Cb -0.13 -1.94 -0.05 0.00 0.51 0.00 0.00 43.02 41.41 1rs4 s PHE 29 CO 0.04 -0.27 0.13 0.21 0.70 0.00 0.00 175.22 176.03 1rs4 s LYS 30 N 0.68 4.19 -0.03 0.44 2.20 -0.84 -0.82 119.74 125.57 1rs4 s LYS 30 Ca -0.04 -0.22 0.05 0.00 -0.36 0.00 0.00 55.97 55.39 1rs4 s LYS 30 Cb -0.15 -3.42 -0.01 0.00 -1.51 0.00 0.00 37.83 32.74 1rs4 s LYS 30 CO 0.02 0.30 -0.17 0.08 -0.36 0.00 0.00 175.35 175.22 1rs4 s VAL 31 N 0.36 1.37 -0.18 4.02 1.01 0.44 -1.06 120.40 126.36 1rs4 s VAL 31 Ca 0.08 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.35 1rs4 s VAL 31 Cb -0.11 -1.16 0.03 0.00 0.00 0.00 0.00 36.38 35.15 1rs4 s VAL 31 CO -0.02 0.39 -0.12 -1.81 0.00 0.00 0.00 175.10 173.54 1rs4 s ASP 32 N -0.20 3.08 -0.17 3.32 1.01 -0.34 -0.01 116.67 123.35 1rs4 s ASP 32 Ca 0.02 -0.71 -0.01 0.00 0.71 0.00 0.00 52.55 52.56 1rs4 s ASP 32 Cb -0.09 -1.21 0.00 0.00 1.01 0.00 0.00 42.92 42.64 1rs4 s ASP 32 CO 0.01 -0.11 -0.14 -0.69 0.21 0.00 0.00 175.17 174.45 1rs4 s VAL 33 N 1.44 2.72 -0.12 -1.27 1.01 -0.01 -1.23 120.40 122.94 1rs4 s VAL 33 Ca 0.02 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.29 1rs4 s VAL 33 Cb -0.15 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 34.07 1rs4 s VAL 33 CO -0.09 0.50 -0.22 -0.89 0.00 0.00 0.00 175.10 174.40 1rs4 s THR 34 N 1.04 1.98 -0.13 3.92 2.01 -0.26 -1.03 115.64 123.18 1rs4 s THR 34 Ca -0.01 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.06 1rs4 s THR 34 Cb -0.15 -1.74 -0.00 0.00 0.01 0.00 0.00 72.50 70.63 1rs4 s THR 34 CO -0.03 0.54 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.49 1rs4 s LEU 35 N 0.60 2.35 -0.43 4.42 1.43 -0.19 -0.29 118.68 126.57 1rs4 s LEU 35 Ca -0.13 -0.49 -0.26 0.00 -1.03 0.00 0.00 54.13 52.22 1rs4 s LEU 35 Cb -0.17 -1.51 0.02 0.00 0.03 0.00 0.00 46.19 44.57 1rs4 s LEU 35 CO 0.03 0.12 0.96 -0.75 0.23 0.00 0.00 176.35 176.95 1rs4 s LYS 36 N 0.57 3.69 -0.03 1.70 2.20 -0.54 -1.21 119.74 126.12 1rs4 s LYS 36 Ca -0.11 0.41 -0.02 0.00 -0.36 0.00 0.00 55.97 55.89 1rs4 s LYS 36 Cb -0.16 -3.87 0.02 0.00 -1.51 0.00 0.00 37.83 32.31 1rs4 s LYS 36 CO 0.04 -1.14 0.08 0.08 -0.36 0.00 0.00 175.35 174.04 1rs4 s VAL 37 N 3.76 -0.03 -0.43 4.02 1.01 -1.06 -0.70 120.40 126.98 1rs4 s VAL 37 Ca 0.39 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 62.19 1rs4 s VAL 37 Cb -0.10 -0.13 0.01 0.00 0.00 0.00 0.00 36.38 36.16 1rs4 s VAL 37 CO 0.24 0.04 1.40 -0.62 0.00 0.00 0.00 175.10 176.16 1rs4 s ASP 38 N 0.62 6.34 -0.35 3.32 -1.08 -1.26 -4.02 116.67 120.23 1rs4 s ASP 38 Ca -0.05 0.77 0.08 0.00 -0.52 0.00 0.00 52.55 52.84 1rs4 s ASP 38 Cb -0.07 -2.54 0.72 0.00 -1.46 0.00 0.00 42.92 39.57 1rs4 s ASP 38 CO -0.02 -1.44 1.82 0.18 0.52 0.00 0.00 175.17 176.23 1rs4 n LEU 39 N 8.82 6.23 0.14 -1.34 4.77 -1.26 -4.59 117.00 129.76 1rs4 n LEU 39 Ca 0.16 -3.27 -0.23 0.00 -0.03 0.00 0.00 56.01 52.65 1rs4 n LEU 39 Cb 0.48 -0.77 -0.15 0.00 -2.33 0.00 0.00 43.42 40.65 1rs4 n LEU 39 CO 0.71 0.86 -0.19 0.77 -1.33 0.00 0.00 177.39 178.20 1rs4 h SER 40 N 2.24 0.75 -0.33 -1.43 4.64 -1.93 -2.00 113.55 115.49 1rs4 h SER 40 Ca 0.36 -0.81 -0.02 0.00 -0.47 0.00 0.00 61.79 60.85 1rs4 h SER 40 Cb 2.46 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 64.29 1rs4 h SER 40 CO 0.83 1.63 0.12 -0.08 -0.87 0.00 0.00 176.83 178.46 1rs4 h GLU 41 N 0.13 0.51 -0.32 4.77 4.81 -1.88 0.14 114.58 122.74 1rs4 h GLU 41 Ca -0.23 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 58.81 1rs4 h GLU 41 Cb 2.13 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 31.42 1rs4 h GLU 41 CO 0.26 0.52 -0.19 0.00 -0.73 0.00 0.00 179.01 178.87 1rs4 h ALA 42 N 0.96 1.08 -0.01 2.92 0.00 -1.70 0.72 119.26 123.23 1rs4 h ALA 42 Ca 0.11 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1rs4 h ALA 42 Cb 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1rs4 h ALA 42 CO -0.01 0.56 -0.29 0.78 0.00 0.00 0.00 179.25 180.29 1rs4 h GLY 43 N 0.98 0.03 0.00 0.00 0.00 -0.88 0.27 103.07 103.47 1rs4 h GLY 43 Ca 0.08 -0.02 -0.07 0.00 0.00 0.00 0.00 47.33 47.33 1rs4 h GLY 43 CO 0.04 0.02 -0.46 -0.09 0.00 0.00 0.00 176.54 176.05 1rs4 h ARG 44 N 0.02 0.00 -0.08 4.80 2.43 0.21 -3.40 114.38 118.36 1rs4 h ARG 44 Ca 0.00 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.93 1rs4 h ARG 44 Cb 0.53 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1rs4 h ARG 44 CO 0.04 0.66 -0.90 1.79 -1.51 0.00 0.00 179.97 180.06 1rs4 h THR 45 N -1.00 1.29 -0.15 0.20 1.35 0.42 -3.47 112.91 111.55 1rs4 h THR 45 Ca -0.11 -2.13 -0.06 0.00 -0.55 0.00 0.00 66.41 63.57 1rs4 h THR 45 Cb 0.83 2.18 -0.03 0.00 -1.73 0.00 0.00 68.15 69.40 1rs4 h THR 45 CO -0.06 0.66 -0.06 -0.67 -0.25 0.00 0.00 175.52 175.14 1rs4 n ASP 46 N -3.88 -3.60 -4.60 5.36 2.03 0.95 -5.00 116.55 107.80 1rs4 n ASP 46 Ca -0.09 0.08 -0.39 0.00 0.52 0.00 0.00 54.79 54.91 1rs4 n ASP 46 Cb 0.81 -1.38 -0.09 0.00 -0.72 0.00 0.00 41.12 39.74 1rs4 n ASP 46 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1rs4 s ASN 47 N -2.63 6.24 0.66 1.67 3.84 -1.26 -4.96 114.94 118.49 1rs4 s ASN 47 Ca 0.00 0.20 0.33 0.00 0.21 0.00 0.00 52.86 53.61 1rs4 s ASN 47 Cb 0.00 -2.21 1.82 0.00 -0.55 0.00 0.00 41.25 40.32 1rs4 s ASN 47 CO 0.00 -0.21 2.05 1.62 -2.79 0.00 0.00 177.10 177.77 1rs4 h VAL 48 N 5.41 0.07 0.00 -5.21 3.04 -1.94 -0.04 116.25 117.58 1rs4 h VAL 48 Ca -0.31 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 1rs4 h VAL 48 Cb 1.16 0.76 0.00 0.00 -2.01 0.00 0.00 31.29 31.20 1rs4 h VAL 48 CO 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.21 1rs4 n ILE 49 N -3.07 0.04 -0.82 3.17 0.13 -1.26 -3.17 119.36 114.38 1rs4 n ILE 49 Ca -0.01 0.01 0.08 0.00 -1.10 0.00 0.00 62.75 61.73 1rs4 n ILE 49 Cb 0.32 -0.56 0.32 0.00 -0.84 0.00 0.00 39.64 38.87 1rs4 n ILE 49 CO 0.00 0.00 0.00 0.47 2.80 0.00 0.00 176.55 179.82 1rs4 n ASP 50 N -1.11 4.55 -2.97 9.51 8.00 -0.03 -4.99 116.55 129.51 1rs4 n ASP 50 Ca 0.18 -2.78 -0.11 0.00 0.71 0.00 0.00 54.79 52.79 1rs4 n ASP 50 Cb 0.15 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 1rs4 n ASP 50 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1rs4 s THR 51 N -2.44 0.00 -0.20 -3.53 -1.32 -1.19 -4.04 115.64 102.92 1rs4 s THR 51 Ca 0.46 -1.20 -0.12 0.00 -1.21 0.00 0.00 61.69 59.63 1rs4 s THR 51 Cb 0.34 -2.84 -0.05 0.00 -1.51 0.00 0.00 72.50 68.44 1rs4 s THR 51 CO 0.15 0.00 0.20 -0.69 -2.21 0.00 0.00 174.62 172.07 1rs4 s VAL 52 N -2.47 5.35 -0.45 5.08 1.01 -1.26 -5.01 120.40 122.65 1rs4 s VAL 52 Ca 0.21 0.33 -0.28 0.00 0.00 0.00 0.00 61.98 62.24 1rs4 s VAL 52 Cb -0.04 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 1rs4 s VAL 52 CO 0.15 0.39 1.74 -2.28 0.00 0.00 0.00 175.10 175.10 1rs4 s HIS 53 N 0.65 1.87 0.28 5.22 2.46 -1.26 -4.91 115.29 119.60 1rs4 s HIS 53 Ca 0.11 0.68 0.03 0.00 0.47 0.00 0.00 55.06 56.35 1rs4 s HIS 53 Cb -0.12 -4.16 0.63 0.00 -0.13 0.00 0.00 32.58 28.80 1rs4 s HIS 53 CO 0.02 -2.54 1.78 0.10 -2.47 0.00 0.00 174.74 171.63 1rs4 h TYR 54 N 13.16 0.98 -0.52 3.88 -0.00 -1.97 -1.98 116.97 130.52 1rs4 h TYR 54 Ca -0.30 0.03 0.10 0.00 0.00 0.00 0.00 58.73 58.56 1rs4 h TYR 54 Cb 1.15 -0.29 -0.08 0.00 0.00 0.00 0.00 36.73 37.51 1rs4 h TYR 54 CO 0.99 0.25 0.04 0.78 -0.00 0.00 0.00 178.16 180.22 1rs4 h GLY 55 N 0.76 0.57 2.00 0.10 0.00 -2.00 0.03 103.07 104.53 1rs4 h GLY 55 Ca 0.52 0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.84 1rs4 h GLY 55 CO -0.36 -0.13 -0.21 0.83 0.00 0.00 0.00 176.54 176.68 1rs4 h GLU 56 N 0.16 0.00 -0.08 4.80 5.08 -1.78 -2.47 114.58 120.28 1rs4 h GLU 56 Ca 0.26 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.42 1rs4 h GLU 56 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1rs4 h GLU 56 CO -0.40 0.21 -0.79 0.28 -1.00 0.00 0.00 179.01 177.31 1rs4 h VAL 57 N 0.00 1.36 -0.18 3.13 2.07 -0.78 -2.61 116.25 119.24 1rs4 h VAL 57 Ca -0.00 -2.16 -0.10 0.00 0.82 0.00 0.00 66.70 65.26 1rs4 h VAL 57 Cb 0.41 2.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 1rs4 h VAL 57 CO 0.03 0.66 -0.34 0.15 0.02 0.00 0.00 177.57 178.08 1rs4 h PHE 58 N 0.33 0.42 -0.52 1.57 3.57 -0.98 -2.29 116.94 119.05 1rs4 h PHE 58 Ca -0.05 -0.10 -0.12 0.00 3.53 0.00 0.00 57.97 61.23 1rs4 h PHE 58 Cb 1.39 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 40.01 1rs4 h PHE 58 CO 0.06 0.67 -0.14 0.93 -2.23 0.00 0.00 178.31 177.60 1rs4 h GLU 59 N 0.32 1.00 0.06 1.11 4.39 -1.37 -1.31 114.58 118.77 1rs4 h GLU 59 Ca 0.04 -0.38 -0.00 0.00 0.34 0.00 0.00 59.36 59.36 1rs4 h GLU 59 Cb 0.76 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1rs4 h GLU 59 CO 0.06 1.06 -0.03 0.93 -1.16 0.00 0.00 179.01 179.87 1rs4 h GLU 60 N 0.88 -0.07 -0.59 2.33 4.39 -1.21 -1.99 114.58 118.32 1rs4 h GLU 60 Ca 0.13 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.88 1rs4 h GLU 60 Cb 0.70 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.32 1rs4 h GLU 60 CO 0.05 0.11 0.33 0.28 -1.16 0.00 0.00 179.01 178.62 1rs4 h VAL 61 N -0.25 0.98 -0.46 3.13 2.07 -1.40 -2.74 116.25 117.58 1rs4 h VAL 61 Ca -0.01 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.32 1rs4 h VAL 61 Cb 0.22 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 1rs4 h VAL 61 CO 0.01 0.11 0.26 0.50 0.02 0.00 0.00 177.57 178.48 1rs4 h LYS 62 N 0.62 0.51 -0.40 1.57 3.64 -1.16 0.21 116.57 121.56 1rs4 h LYS 62 Ca 0.26 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.58 1rs4 h LYS 62 Cb 0.13 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1rs4 h LYS 62 CO -0.16 0.34 0.13 0.66 -2.27 0.00 0.00 179.45 178.15 1rs4 h SER 63 N 0.53 0.53 0.42 4.20 4.64 -1.18 0.33 113.55 123.02 1rs4 h SER 63 Ca 0.19 -0.07 -0.31 0.00 -0.47 0.00 0.00 61.79 61.13 1rs4 h SER 63 Cb 0.03 -0.14 0.01 0.00 -0.31 0.00 0.00 62.40 61.99 1rs4 h SER 63 CO -0.09 0.51 -1.49 0.40 -0.87 0.00 0.00 176.83 175.28 1rs4 h ILE 64 N 0.58 1.22 0.00 0.95 2.04 -1.15 -3.10 117.51 118.04 1rs4 h ILE 64 Ca 0.14 -2.80 -0.17 0.00 1.00 0.00 0.00 64.86 63.03 1rs4 h ILE 64 Cb 0.17 2.85 -0.02 0.00 -0.74 0.00 0.00 36.82 39.07 1rs4 h ILE 64 CO -0.01 0.84 -0.83 0.24 0.00 0.00 0.00 178.15 178.39 1rs4 h MET 65 N 0.09 0.00 -0.63 2.37 2.86 -0.36 -3.24 114.93 116.01 1rs4 h MET 65 Ca -0.24 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1rs4 h MET 65 Cb 2.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.71 1rs4 h MET 65 CO 0.19 0.83 0.00 0.39 1.06 0.00 0.00 176.91 179.38 1rs4 n GLU 66 N -3.56 2.71 0.00 1.72 1.02 0.11 -4.56 120.64 118.08 1rs4 n GLU 66 Ca -0.01 -2.52 0.00 0.00 -0.02 0.00 0.00 57.16 54.61 1rs4 n GLU 66 Cb 0.79 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.69 1rs4 n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rs4 n GLY 67 N 1.46 1.88 3.57 0.62 0.00 -1.17 -5.02 105.19 106.54 1rs4 n GLY 67 Ca 0.22 -1.90 -0.57 0.00 0.00 0.00 0.00 46.02 43.77 1rs4 n GLY 67 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1rs4 n LYS 68 N 0.00 0.55 -2.29 1.61 4.81 -1.26 -4.84 118.16 116.73 1rs4 n LYS 68 Ca 0.00 0.20 -0.42 0.00 -0.87 0.00 0.00 58.31 57.22 1rs4 n LYS 68 Cb 0.00 -1.77 -0.03 0.00 0.02 0.00 0.00 35.03 33.25 1rs4 n LYS 68 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1rs4 s ALA 69 N 0.68 3.49 0.52 3.14 0.00 -1.26 -4.94 121.76 123.39 1rs4 s ALA 69 Ca 0.90 1.00 0.01 0.00 0.00 0.00 0.00 51.96 53.87 1rs4 s ALA 69 Cb -1.14 -3.49 -0.00 0.00 0.00 0.00 0.00 23.12 18.49 1rs4 s ALA 69 CO 0.55 -0.52 0.05 0.14 0.00 0.00 0.00 175.76 175.99 1rs4 s VAL 70 N 0.90 1.18 -0.12 0.00 -7.23 -1.26 -4.92 120.40 108.96 1rs4 s VAL 70 Ca 0.61 -1.94 -0.05 0.00 -1.81 0.00 0.00 61.98 58.79 1rs4 s VAL 70 Cb -0.34 -2.12 -0.03 0.00 0.56 0.00 0.00 36.38 34.46 1rs4 s VAL 70 CO 0.31 0.00 -0.01 0.78 -0.31 0.00 0.00 175.10 175.87 1rs4 h ASN 71 N 1.26 0.00 -2.74 4.85 2.35 -1.95 -0.52 115.58 118.82 1rs4 h ASN 71 Ca -0.43 -0.06 -0.47 0.00 -0.55 0.00 0.00 56.30 54.79 1rs4 h ASN 71 Cb 1.32 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.70 1rs4 h ASN 71 CO 0.72 0.63 -0.18 -0.76 -1.65 0.00 0.00 177.43 176.19 1rs4 s LEU 72 N -8.42 3.93 0.13 1.61 1.43 -1.26 -2.58 118.68 113.53 1rs4 s LEU 72 Ca -0.06 0.38 0.08 0.00 -1.03 0.00 0.00 54.13 53.50 1rs4 s LEU 72 Cb 0.01 -3.25 -0.18 0.00 0.03 0.00 0.00 46.19 42.79 1rs4 s LEU 72 CO 0.12 -0.39 1.28 -0.07 0.23 0.00 0.00 176.35 177.51 1rs4 h LEU 73 N 0.68 0.00 -1.44 1.79 3.38 -1.99 -3.18 115.31 114.55 1rs4 h LEU 73 Ca -0.49 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 1rs4 h LEU 73 Cb 1.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 1rs4 h LEU 73 CO 0.60 0.95 0.21 -0.33 0.09 0.00 0.00 178.44 179.95 1rs4 h GLU 74 N 0.00 0.58 -0.08 1.13 3.07 -1.96 -0.94 114.58 116.38 1rs4 h GLU 74 Ca -0.02 -0.06 -0.24 0.00 -0.50 0.00 0.00 59.36 58.54 1rs4 h GLU 74 Cb 1.74 -0.12 0.01 0.00 -0.84 0.00 0.00 28.75 29.54 1rs4 h GLU 74 CO 0.12 0.45 -0.89 1.25 -1.40 0.00 0.00 179.01 178.55 1rs4 h HIS 75 N 0.59 0.98 -0.46 4.33 2.76 -1.96 -2.34 115.15 119.05 1rs4 h HIS 75 Ca 0.15 -0.48 -0.11 0.00 -2.20 0.00 0.00 60.37 57.73 1rs4 h HIS 75 Cb 0.06 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 1rs4 h HIS 75 CO 0.00 1.31 -0.16 -0.07 -1.30 0.00 0.00 177.93 177.71 1rs4 h LEU 76 N 0.44 0.93 -0.66 0.26 3.38 -1.42 -2.19 115.31 116.05 1rs4 h LEU 76 Ca -0.08 -0.38 -0.14 0.00 0.09 0.00 0.00 57.88 57.37 1rs4 h LEU 76 Cb 1.52 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 1rs4 h LEU 76 CO 0.17 1.10 -0.67 0.00 0.09 0.00 0.00 178.44 179.14 1rs4 h ALA 77 N 0.86 0.89 -0.28 1.53 0.00 -1.25 -2.64 119.26 118.37 1rs4 h ALA 77 Ca 0.11 -0.60 -0.14 0.00 0.00 0.00 0.00 54.91 54.28 1rs4 h ALA 77 Cb 0.72 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1rs4 h ALA 77 CO 0.05 0.83 -0.40 1.49 0.00 0.00 0.00 179.25 181.22 1rs4 h GLU 78 N 0.02 0.66 -0.18 0.00 4.57 -1.31 -0.48 114.58 117.86 1rs4 h GLU 78 Ca -0.01 -0.34 -0.17 0.00 -1.18 0.00 0.00 59.36 57.66 1rs4 h GLU 78 Cb 1.18 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1rs4 h GLU 78 CO 0.09 0.94 -0.60 0.00 -1.18 0.00 0.00 179.01 178.26 1rs4 h ARG 79 N 0.54 0.60 0.00 1.92 3.08 -1.36 -2.20 114.38 116.95 1rs4 h ARG 79 Ca 0.05 -0.40 -0.00 0.00 0.07 0.00 0.00 59.98 59.69 1rs4 h ARG 79 Cb 0.92 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.03 1rs4 h ARG 79 CO 0.08 1.02 -0.00 0.82 -1.07 0.00 0.00 179.97 180.82 1rs4 h ILE 80 N 0.45 1.50 -0.74 2.04 2.04 -1.34 -0.32 117.51 121.13 1rs4 h ILE 80 Ca -0.00 -1.48 0.07 0.00 1.00 0.00 0.00 64.86 64.44 1rs4 h ILE 80 Cb 1.17 2.51 -0.06 0.00 -0.74 0.00 0.00 36.82 39.69 1rs4 h ILE 80 CO 0.12 0.38 0.43 0.00 0.00 0.00 0.00 178.15 179.08 1rs4 h ALA 81 N 0.36 1.01 -0.26 1.87 0.00 -1.17 -0.52 119.26 120.55 1rs4 h ALA 81 Ca -0.00 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1rs4 h ALA 81 Cb 0.63 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1rs4 h ALA 81 CO 0.00 0.11 -0.26 -0.97 0.00 0.00 0.00 179.25 178.13 1rs4 h ASN 82 N 0.77 0.50 -0.02 0.00 -0.73 -1.41 -1.16 115.58 113.52 1rs4 h ASN 82 Ca 0.33 -0.17 -0.17 0.00 1.87 0.00 0.00 56.30 58.16 1rs4 h ASN 82 Cb 0.21 -0.14 -0.00 0.00 0.27 0.00 0.00 38.32 38.66 1rs4 h ASN 82 CO -0.19 0.75 -0.57 -0.09 -0.37 0.00 0.00 177.43 176.95 1rs4 h ARG 83 N 0.44 0.62 0.08 6.67 9.65 -0.01 -2.09 114.38 129.73 1rs4 h ARG 83 Ca 0.06 -0.40 -0.17 0.00 -1.10 0.00 0.00 59.98 58.37 1rs4 h ARG 83 Cb 0.68 0.05 0.02 0.00 -1.39 0.00 0.00 29.97 29.33 1rs4 h ARG 83 CO 0.05 1.02 -0.73 0.82 2.80 0.00 0.00 179.97 183.93 1rs4 h ILE 84 N 0.47 1.47 -0.73 1.20 2.04 -1.09 -3.01 117.51 117.86 1rs4 h ILE 84 Ca 0.00 -2.34 -0.02 0.00 1.00 0.00 0.00 64.86 63.51 1rs4 h ILE 84 Cb 1.14 2.94 -0.03 0.00 -0.74 0.00 0.00 36.82 40.12 1rs4 h ILE 84 CO 0.11 0.67 0.40 0.78 0.00 0.00 0.00 178.15 180.11 1rs4 h ASN 85 N -0.25 0.92 -0.55 1.72 2.35 -1.28 -2.06 115.58 116.43 1rs4 h ASN 85 Ca -0.11 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.52 1rs4 h ASN 85 Cb 1.50 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 39.61 1rs4 h ASN 85 CO 0.14 0.76 0.31 0.28 -1.65 0.00 0.00 177.43 177.26 1rs4 h SER 86 N 1.01 0.68 1.42 5.81 0.02 -1.46 -3.21 113.55 117.83 1rs4 h SER 86 Ca 0.26 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1rs4 h SER 86 Cb 0.05 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1rs4 h SER 86 CO -0.04 0.57 -0.51 1.56 -1.14 0.00 0.00 176.83 177.27 1rs4 h GLN 87 N 0.74 0.00 -4.56 3.45 4.20 -1.43 -3.44 115.11 114.06 1rs4 h GLN 87 Ca 0.19 0.00 -0.63 0.00 0.06 0.00 0.00 58.65 58.28 1rs4 h GLN 87 Cb 0.04 0.00 -0.37 0.00 0.30 0.00 0.00 27.48 27.44 1rs4 h GLN 87 CO -0.03 0.00 -0.80 0.71 -0.67 0.00 0.00 178.83 178.04 1rs4 s TYR 88 N -3.27 2.60 -0.16 2.96 2.02 -0.78 -4.97 117.35 115.74 1rs4 s TYR 88 Ca 0.04 -1.82 0.29 0.00 -0.37 0.00 0.00 57.07 55.21 1rs4 s TYR 88 Cb 0.08 -1.68 1.01 0.00 -0.40 0.00 0.00 41.96 40.97 1rs4 s TYR 88 CO 0.73 -0.79 1.84 -0.97 -1.57 0.00 0.00 175.55 174.79 1rs4 h ASN 89 N 7.92 0.00 1.57 2.29 -0.73 -1.86 -2.93 115.58 121.84 1rs4 h ASN 89 Ca -0.22 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.95 1rs4 h ASN 89 Cb 1.08 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.67 1rs4 h ASN 89 CO 0.45 0.00 0.00 0.03 -0.37 0.00 0.00 177.43 177.54 1rs4 h ARG 90 N 0.00 0.00 -6.11 6.67 3.08 -1.93 -3.41 114.38 112.67 1rs4 h ARG 90 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 1rs4 h ARG 90 Cb 0.65 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.59 1rs4 h ARG 90 CO 0.00 0.00 0.65 0.08 -1.07 0.00 0.00 179.97 179.63 1rs4 s VAL 91 N -3.15 4.35 0.20 2.04 1.01 -1.11 -4.43 120.40 119.32 1rs4 s VAL 91 Ca 0.09 0.58 0.12 0.00 0.00 0.00 0.00 61.98 62.77 1rs4 s VAL 91 Cb 0.10 -4.54 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 1rs4 s VAL 91 CO 0.61 -1.05 1.57 0.24 0.00 0.00 0.00 175.10 176.47 1rs4 h MET 92 N 9.27 0.00 -1.81 2.72 2.86 -1.16 -3.41 114.93 123.40 1rs4 h MET 92 Ca -0.25 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.40 1rs4 h MET 92 Cb 1.07 0.00 -0.23 0.00 0.06 0.00 0.00 31.60 32.50 1rs4 h MET 92 CO 1.08 0.62 0.31 -2.00 1.06 0.00 0.00 176.91 177.98 1rs4 s GLU 93 N -3.43 0.73 -0.11 1.72 2.12 -1.25 -0.69 118.70 117.79 1rs4 s GLU 93 Ca -0.00 0.62 0.03 0.00 0.36 0.00 0.00 54.97 55.97 1rs4 s GLU 93 Cb 0.12 0.35 -0.00 0.00 0.26 0.00 0.00 34.13 34.86 1rs4 s GLU 93 CO 0.75 -0.14 -0.20 0.99 -0.54 0.00 0.00 175.26 176.12 1rs4 s THR 94 N -0.15 2.38 -0.23 -1.70 2.01 0.35 -1.47 115.64 116.83 1rs4 s THR 94 Ca -0.01 -0.90 -0.04 0.00 0.31 0.00 0.00 61.69 61.05 1rs4 s THR 94 Cb -0.03 -1.94 -0.00 0.00 0.01 0.00 0.00 72.50 70.53 1rs4 s THR 94 CO 0.00 0.55 -0.04 -0.75 -0.69 0.00 0.00 174.62 173.69 1rs4 s LYS 95 N 0.36 3.30 -0.17 4.92 2.20 0.61 0.02 119.74 130.98 1rs4 s LYS 95 Ca -0.16 -0.68 0.01 0.00 -0.36 0.00 0.00 55.97 54.78 1rs4 s LYS 95 Cb -0.17 -3.01 0.02 0.00 -1.51 0.00 0.00 37.83 33.15 1rs4 s LYS 95 CO 0.08 -0.23 -0.20 0.08 -0.36 0.00 0.00 175.35 174.72 1rs4 s VAL 96 N 1.46 2.11 -0.20 4.02 1.01 0.05 -1.10 120.40 127.76 1rs4 s VAL 96 Ca 0.05 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 1rs4 s VAL 96 Cb -0.15 -1.88 -0.00 0.00 0.00 0.00 0.00 36.38 34.35 1rs4 s VAL 96 CO -0.03 0.54 -0.09 -0.60 0.00 0.00 0.00 175.10 174.92 1rs4 s ARG 97 N 1.17 3.31 -0.08 2.72 3.52 -0.37 -0.97 118.95 128.25 1rs4 s ARG 97 Ca 0.02 -0.67 0.05 0.00 -0.13 0.00 0.00 55.73 54.99 1rs4 s ARG 97 Cb -0.14 -2.87 -0.00 0.00 -1.56 0.00 0.00 34.95 30.38 1rs4 s ARG 97 CO -0.10 -0.13 -0.24 0.42 -0.81 0.00 0.00 175.30 174.45 1rs4 s ILE 98 N 1.25 2.00 -0.03 4.11 1.01 0.34 -1.20 121.20 128.68 1rs4 s ILE 98 Ca 0.03 -1.00 0.05 0.00 0.00 0.00 0.00 60.65 59.72 1rs4 s ILE 98 Cb -0.14 -1.71 -0.01 0.00 0.01 0.00 0.00 42.46 40.61 1rs4 s ILE 98 CO -0.04 0.55 -0.16 -0.89 0.00 0.00 0.00 174.94 174.40 1rs4 s THR 99 N 0.16 1.33 -0.53 2.92 2.01 -0.23 -1.82 115.64 119.49 1rs4 s THR 99 Ca -0.13 -0.69 -0.07 0.00 0.31 0.00 0.00 61.69 61.12 1rs4 s THR 99 Cb -0.16 -1.13 0.14 0.00 0.01 0.00 0.00 72.50 71.36 1rs4 s THR 99 CO 0.07 0.38 0.38 -0.54 -0.69 0.00 0.00 174.62 174.22 1rs4 s LYS 100 N -0.16 2.50 0.50 4.92 1.02 0.11 -1.98 119.74 126.66 1rs4 s LYS 100 Ca 0.01 -2.03 0.29 0.00 0.02 0.00 0.00 55.97 54.27 1rs4 s LYS 100 Cb -0.09 -3.86 1.09 0.00 -0.52 0.00 0.00 37.83 34.45 1rs4 s LYS 100 CO 0.01 -1.17 1.88 0.93 -0.92 0.00 0.00 175.35 176.07 1rs4 h GLU 101 N 7.97 0.00 -2.09 1.68 5.08 -1.81 -2.41 114.58 123.01 1rs4 h GLU 101 Ca -0.12 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.69 1rs4 h GLU 101 Cb 1.04 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.88 1rs4 h GLU 101 CO 0.78 0.07 -0.94 0.09 -1.00 0.00 0.00 179.01 178.01 1rs4 n ASN 102 N -3.18 1.84 -4.55 1.42 3.02 -1.26 -4.36 115.26 108.19 1rs4 n ASN 102 Ca 0.01 -3.10 -0.29 0.00 -0.03 0.00 0.00 54.58 51.16 1rs4 n ASN 102 Cb 0.38 -0.63 0.15 0.00 -0.61 0.00 0.00 39.78 39.07 1rs4 n ASN 102 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1rs4 s PRO 103 N -2.17 0.96 0.00 3.52 0.04 -1.26 -4.88 135.00 131.21 1rs4 s PRO 103 Ca 0.40 0.03 -0.06 0.00 0.04 0.00 0.00 61.00 61.41 1rs4 s PRO 103 Cb 0.23 -1.84 -0.25 0.00 0.04 0.00 0.00 34.50 32.67 1rs4 s PRO 103 CO -0.09 -2.27 3.53 -0.35 0.04 0.00 0.00 177.00 177.87 1rs4 n PRO 104 N -3.76 1.94 -3.81 0.56 -0.05 -1.26 -4.79 135.00 123.83 1rs4 n PRO 104 Ca 0.10 -0.94 -0.36 0.00 -0.05 0.00 0.00 63.50 62.24 1rs4 n PRO 104 Cb 0.60 -1.95 -0.13 0.00 -0.05 0.00 0.00 33.50 31.97 1rs4 n PRO 104 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 175.50 175.87 1rs4 s ILE 105 N 0.96 3.74 -0.46 0.52 1.01 -1.26 -5.06 121.20 120.65 1rs4 s ILE 105 Ca 0.63 -0.69 -0.27 0.00 0.00 0.00 0.00 60.65 60.32 1rs4 s ILE 105 Cb 0.30 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.86 1rs4 s ILE 105 CO 0.00 0.15 1.92 -2.84 0.00 0.00 0.00 174.94 174.17 1rs4 s PRO 106 N 1.47 2.88 0.00 2.79 0.02 -1.26 -4.83 135.00 136.07 1rs4 s PRO 106 Ca 0.03 1.11 0.00 0.00 0.02 0.00 0.00 61.00 62.16 1rs4 s PRO 106 Cb -0.17 -4.33 0.00 0.00 0.02 0.00 0.00 34.50 30.02 1rs4 s PRO 106 CO 0.01 -2.41 0.00 0.41 -0.33 0.00 0.00 177.00 174.68 1rs4 n GLY 107 N 5.62 -2.03 3.19 0.52 0.00 -1.26 -5.11 105.19 106.11 1rs4 n GLY 107 Ca 0.24 -1.18 -0.34 0.00 0.00 0.00 0.00 46.02 44.74 1rs4 n GLY 107 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rs4 s HIS 108 N -2.28 3.02 0.29 1.61 3.76 -1.26 -5.07 115.29 115.35 1rs4 s HIS 108 Ca 0.00 -1.56 -0.19 0.00 -0.15 0.00 0.00 55.06 53.16 1rs4 s HIS 108 Cb 0.00 -2.03 0.02 0.00 1.11 0.00 0.00 32.58 31.68 1rs4 s HIS 108 CO 0.00 -0.74 0.69 1.52 -0.85 0.00 0.00 174.74 175.36 1rs4 s TYR 109 N 1.32 -0.06 -0.14 1.40 -0.85 -1.26 -5.06 117.35 112.70 1rs4 s TYR 109 Ca 0.01 -0.41 0.20 0.00 -0.52 0.00 0.00 57.07 56.35 1rs4 s TYR 109 Cb -0.16 0.63 -0.17 0.00 0.38 0.00 0.00 41.96 42.65 1rs4 s TYR 109 CO -0.06 -1.24 0.70 -0.25 -1.52 0.00 0.00 175.55 173.18 1rs4 n ASP 110 N -0.56 0.53 0.00 -0.18 8.00 -1.26 -5.05 116.55 118.03 1rs4 n ASP 110 Ca -0.04 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.68 1rs4 n ASP 110 Cb 0.60 0.81 0.00 0.00 -0.02 0.00 0.00 41.12 42.50 1rs4 n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rs4 n GLY 111 N 1.35 2.24 3.06 0.44 0.00 -1.26 -4.60 105.19 106.41 1rs4 n GLY 111 Ca -0.09 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 1rs4 n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rs4 s VAL 112 N -2.00 0.33 -1.73 1.61 -7.23 -0.90 -4.98 120.40 105.50 1rs4 s VAL 112 Ca 0.00 -1.33 0.00 0.00 -1.81 0.00 0.00 61.98 58.84 1rs4 s VAL 112 Cb 0.00 -0.87 0.00 0.00 0.56 0.00 0.00 36.38 36.07 1rs4 s VAL 112 CO 0.00 -0.65 0.00 0.61 -0.31 0.00 0.00 175.10 174.75 1rs4 n GLY 113 N 0.95 -1.00 3.10 2.32 0.00 -1.26 0.07 105.19 109.37 1rs4 n GLY 113 Ca -0.19 -0.88 -0.08 0.00 0.00 0.00 0.00 46.02 44.86 1rs4 n GLY 113 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1rs4 s ILE 114 N -3.00 0.33 -0.08 -0.61 -5.25 -0.75 -5.01 121.20 106.82 1rs4 s ILE 114 Ca 0.00 -1.80 -0.04 0.00 -0.99 0.00 0.00 60.65 57.83 1rs4 s ILE 114 Cb 0.00 -1.50 0.04 0.00 2.95 0.00 0.00 42.46 43.96 1rs4 s ILE 114 CO 0.00 -0.94 0.18 -0.70 -1.79 0.00 0.00 174.94 171.69 1rs4 s GLU 115 N -3.77 0.11 0.26 0.37 2.12 -1.26 -0.51 118.70 116.02 1rs4 s GLU 115 Ca 0.07 0.46 0.12 0.00 0.36 0.00 0.00 54.97 55.98 1rs4 s GLU 115 Cb 0.06 -0.17 -0.05 0.00 0.26 0.00 0.00 34.13 34.23 1rs4 s GLU 115 CO -0.08 -0.20 -0.20 0.96 -0.54 0.00 0.00 175.26 175.20 1rs4 s ILE 116 N 1.46 2.39 -0.08 -3.70 -4.36 -0.14 -4.97 121.20 111.81 1rs4 s ILE 116 Ca -0.07 -2.32 0.01 0.00 -0.26 0.00 0.00 60.65 58.01 1rs4 s ILE 116 Cb -0.11 -2.24 0.02 0.00 1.25 0.00 0.00 42.46 41.38 1rs4 s ILE 116 CO -0.07 -0.36 -0.07 -0.69 0.24 0.00 0.00 174.94 174.00 1rs4 s VAL 117 N -2.38 0.82 -0.07 8.37 1.01 -1.26 -0.77 120.40 126.12 1rs4 s VAL 117 Ca 0.28 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.05 1rs4 s VAL 117 Cb -0.05 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.51 1rs4 s VAL 117 CO 0.13 0.31 -0.12 -0.13 0.00 0.00 0.00 175.10 175.29 1rs4 s ARG 118 N 1.26 1.74 0.34 2.72 1.81 0.10 -4.97 118.95 121.96 1rs4 s ARG 118 Ca -0.04 -0.42 -0.16 0.00 -1.72 0.00 0.00 55.73 53.39 1rs4 s ARG 118 Cb -0.14 -1.45 -0.09 0.00 -0.45 0.00 0.00 34.95 32.82 1rs4 s ARG 118 CO -0.02 0.01 0.77 -1.83 -0.68 0.00 0.00 175.30 173.54 1rs4 s GLU 119 N 0.73 4.02 -0.30 3.54 -1.05 -1.26 0.13 118.70 124.51 1rs4 s GLU 119 Ca -0.13 0.72 -0.21 0.00 -0.15 0.00 0.00 54.97 55.20 1rs4 s GLU 119 Cb -0.16 -2.39 -0.01 0.00 -0.44 0.00 0.00 34.13 31.14 1rs4 s GLU 119 CO 0.03 0.12 0.65 1.21 0.95 0.00 0.00 175.26 178.22 1rs4 s ASN 120 N -2.32 6.52 0.00 0.83 3.84 0.13 -4.87 114.94 119.08 1rs4 s ASN 120 Ca 0.55 0.46 0.29 0.00 0.21 0.00 0.00 52.86 54.38 1rs4 s ASN 120 Cb -0.10 -2.34 1.36 0.00 -0.55 0.00 0.00 41.25 39.62 1rs4 s ASN 120 CO 0.18 -0.49 1.92 0.29 -2.79 0.00 0.00 177.10 176.20