#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y4h s TYR 2 N 0.00 3.39 -0.05 2.03 1.51 -1.26 -5.00 117.35 117.97 1y4h s TYR 2 Ca 0.00 0.34 -0.18 0.00 -1.01 0.00 0.00 57.07 56.22 1y4h s TYR 2 Cb 0.00 -2.11 -0.05 0.00 -0.11 0.00 0.00 41.96 39.69 1y4h s TYR 2 CO 0.00 -0.12 0.51 -1.14 -1.11 0.00 0.00 175.55 173.69 1y4h s GLN 3 N -4.46 4.25 -0.17 -0.62 0.74 -0.61 -4.95 119.66 113.85 1y4h s GLN 3 Ca 0.44 0.56 0.01 0.00 0.05 0.00 0.00 55.36 56.42 1y4h s GLN 3 Cb -0.10 -3.36 0.01 0.00 1.10 0.00 0.00 33.01 30.67 1y4h s GLN 3 CO 0.38 0.35 -0.18 -1.17 -0.55 0.00 0.00 175.29 174.12 1y4h s LEU 4 N -0.04 2.26 -0.23 3.68 2.96 -1.26 0.59 118.68 126.63 1y4h s LEU 4 Ca 0.28 -0.58 -0.07 0.00 -0.22 0.00 0.00 54.13 53.53 1y4h s LEU 4 Cb -0.17 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 1y4h s LEU 4 CO 0.14 0.03 0.07 -1.58 -1.32 0.00 0.00 176.35 173.69 1y4h s GLN 5 N 1.13 3.74 -0.07 1.98 0.74 -0.28 -4.98 119.66 121.92 1y4h s GLN 5 Ca 0.01 -0.44 -0.22 0.00 0.05 0.00 0.00 55.36 54.76 1y4h s GLN 5 Cb -0.14 -3.31 -0.04 0.00 1.10 0.00 0.00 33.01 30.62 1y4h s GLN 5 CO -0.07 -0.08 0.63 -0.06 -0.55 0.00 0.00 175.29 175.16 1y4h s PHE 6 N 1.32 3.57 -0.33 1.67 0.08 -1.26 -1.28 117.98 121.75 1y4h s PHE 6 Ca 0.05 1.16 0.03 0.00 0.12 0.00 0.00 56.93 58.29 1y4h s PHE 6 Cb -0.15 -2.72 0.10 0.00 -0.57 0.00 0.00 43.02 39.68 1y4h s PHE 6 CO 0.04 0.14 0.05 0.42 -0.10 0.00 0.00 175.22 175.76 1y4h s ILE 7 N 0.64 2.13 -0.76 0.64 1.01 0.10 -4.87 121.20 120.09 1y4h s ILE 7 Ca 0.34 -2.22 -0.18 0.00 0.00 0.00 0.00 60.65 58.59 1y4h s ILE 7 Cb -0.17 -2.57 0.14 0.00 0.01 0.00 0.00 42.46 39.88 1y4h s ILE 7 CO 0.16 -0.58 0.85 0.20 0.00 0.00 0.00 174.94 175.57 1y4h s ASN 8 N 0.98 6.47 0.05 3.58 0.01 -0.41 -1.33 114.94 124.29 1y4h s ASN 8 Ca 0.10 -1.95 -0.31 0.00 -0.71 0.00 0.00 52.86 50.00 1y4h s ASN 8 Cb -0.19 -2.31 -0.07 0.00 0.41 0.00 0.00 41.25 39.10 1y4h s ASN 8 CO -0.10 -0.96 1.44 -0.76 -1.51 0.00 0.00 177.10 175.21 1y4h s LEU 9 N 2.04 4.34 -0.19 0.60 1.43 -0.22 -1.50 118.68 125.18 1y4h s LEU 9 Ca 0.20 2.24 -0.02 0.00 -1.03 0.00 0.00 54.13 55.51 1y4h s LEU 9 Cb -0.14 -3.57 -0.00 0.00 0.03 0.00 0.00 46.19 42.50 1y4h s LEU 9 CO -0.02 -0.72 -0.09 0.68 0.23 0.00 0.00 176.35 176.42 1y4h s VAL 10 N 2.04 3.06 -0.03 -1.59 -7.23 -0.49 0.55 120.40 116.71 1y4h s VAL 10 Ca 0.66 -0.61 -0.29 0.00 -1.81 0.00 0.00 61.98 59.92 1y4h s VAL 10 Cb -0.34 -2.35 0.11 0.00 0.56 0.00 0.00 36.38 34.35 1y4h s VAL 10 CO 0.29 0.47 0.91 -0.72 -0.31 0.00 0.00 175.10 175.73 1y4h s TYR 11 N 1.21 -0.34 -0.29 2.82 -0.85 -1.26 -4.33 117.35 114.30 1y4h s TYR 11 Ca 0.02 0.25 -0.02 0.00 -0.52 0.00 0.00 57.07 56.80 1y4h s TYR 11 Cb -0.14 0.53 0.04 0.00 0.38 0.00 0.00 41.96 42.77 1y4h s TYR 11 CO -0.03 -0.51 0.00 0.34 -1.52 0.00 0.00 175.55 173.82 1y4h s ASP 12 N -2.35 4.83 0.55 -0.18 -1.08 -1.26 -4.97 116.67 112.22 1y4h s ASP 12 Ca 0.04 -1.15 0.26 0.00 -0.52 0.00 0.00 52.55 51.18 1y4h s ASP 12 Cb -0.01 -1.73 1.46 0.00 -1.46 0.00 0.00 42.92 41.19 1y4h s ASP 12 CO -0.08 -0.24 2.02 0.71 0.52 0.00 0.00 175.17 178.10 1y4h h THR 13 N 6.34 0.64 0.00 1.71 1.35 -2.01 -1.21 112.91 119.73 1y4h h THR 13 Ca -0.24 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.61 1y4h h THR 13 Cb 1.08 0.76 -0.00 0.00 -1.73 0.00 0.00 68.15 68.25 1y4h h THR 13 CO 0.55 0.00 -0.04 0.71 -0.25 0.00 0.00 175.52 176.49 1y4h h THR 14 N 0.00 0.23 -0.01 6.82 1.35 -2.00 -2.06 112.91 117.25 1y4h h THR 14 Ca 0.19 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1y4h h THR 14 Cb 0.85 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 1y4h h THR 14 CO -0.00 0.04 -0.25 0.29 -0.25 0.00 0.00 175.52 175.35 1y4h n LYS 15 N -3.33 0.84 -4.13 4.72 5.02 -0.46 -4.94 118.16 115.89 1y4h n LYS 15 Ca -0.02 -0.49 -0.29 0.00 -2.02 0.00 0.00 58.31 55.49 1y4h n LYS 15 Cb 0.19 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.63 1y4h n LYS 15 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1y4h s LEU 16 N -2.50 3.50 0.75 -0.35 1.43 -0.77 -5.10 118.68 115.65 1y4h s LEU 16 Ca 0.24 -0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 53.04 1y4h s LEU 16 Cb 0.19 -2.20 0.04 0.00 0.03 0.00 0.00 46.19 44.25 1y4h s LEU 16 CO 0.52 0.15 1.08 0.42 0.23 0.00 0.00 176.35 178.74 1y4h s THR 17 N -1.44 3.51 0.26 5.49 -4.23 -1.26 -4.82 115.64 113.14 1y4h s THR 17 Ca 0.27 0.49 -0.02 0.00 -1.18 0.00 0.00 61.69 61.25 1y4h s THR 17 Cb -0.11 -3.21 0.23 0.00 1.34 0.00 0.00 72.50 70.75 1y4h s THR 17 CO 0.19 -0.64 1.78 -0.74 -0.54 0.00 0.00 174.62 174.67 1y4h h HIS 18 N -0.94 0.78 -0.42 3.99 2.76 -1.99 -1.48 115.15 117.85 1y4h h HIS 18 Ca -0.45 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 57.73 1y4h h HIS 18 Cb 1.24 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.96 1y4h h HIS 18 CO 0.54 0.23 0.20 1.25 -1.30 0.00 0.00 177.93 178.85 1y4h h LEU 19 N 0.67 0.55 -0.58 0.26 5.85 -1.99 -0.26 115.31 119.80 1y4h h LEU 19 Ca 0.44 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 59.08 1y4h h LEU 19 Cb 0.56 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 1y4h h LEU 19 CO -0.33 0.52 0.31 -0.33 -0.34 0.00 0.00 178.44 178.28 1y4h h GLU 20 N 0.54 0.58 -0.68 1.25 5.08 -1.85 -0.92 114.58 118.57 1y4h h GLU 20 Ca 0.14 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.40 1y4h h GLU 20 Cb 0.12 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1y4h h GLU 20 CO -0.02 0.38 0.16 1.96 -1.00 0.00 0.00 179.01 180.50 1y4h h GLN 21 N 0.60 1.07 -0.76 2.33 4.20 -0.94 -2.10 115.11 119.51 1y4h h GLN 21 Ca 0.26 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1y4h h GLN 21 Cb 0.14 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 1y4h h GLN 21 CO -0.16 0.95 0.47 1.15 -0.67 0.00 0.00 178.83 180.57 1y4h h THR 22 N 1.02 1.21 0.01 -0.54 2.02 -0.74 -2.11 112.91 113.77 1y4h h THR 22 Ca 0.21 -0.45 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 1y4h h THR 22 Cb 0.36 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1y4h h THR 22 CO 0.00 0.22 -0.00 0.78 0.37 0.00 0.00 175.52 176.89 1y4h h ASN 23 N 1.04 -0.01 -0.78 4.18 2.35 -0.88 -2.83 115.58 118.67 1y4h h ASN 23 Ca 0.27 -0.22 0.10 0.00 -0.55 0.00 0.00 56.30 55.90 1y4h h ASN 23 Cb -0.06 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.24 1y4h h ASN 23 CO -0.05 0.22 0.42 0.40 -1.65 0.00 0.00 177.43 176.76 1y4h h ILE 24 N -0.23 0.87 0.00 2.81 2.04 -1.31 -2.07 117.51 119.62 1y4h h ILE 24 Ca -0.00 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 1y4h h ILE 24 Cb 0.23 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1y4h h ILE 24 CO 0.00 0.13 -0.01 0.78 0.00 0.00 0.00 178.15 179.05 1y4h h ASN 25 N 0.70 0.00 -0.04 1.72 2.35 -1.24 -1.72 115.58 117.34 1y4h h ASN 25 Ca 0.38 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 56.14 1y4h h ASN 25 Cb 0.39 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 1y4h h ASN 25 CO -0.26 0.01 0.03 -0.07 -1.65 0.00 0.00 177.43 175.49 1y4h h LEU 26 N 0.00 0.00 0.00 1.61 3.38 -1.12 -3.10 115.31 116.08 1y4h h LEU 26 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1y4h h LEU 26 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1y4h h LEU 26 CO 0.00 0.00 -1.11 0.49 0.09 0.00 0.00 178.44 177.91 1y4h n PHE 27 N -4.44 0.03 -2.21 1.13 3.72 -0.65 -4.94 117.46 110.10 1y4h n PHE 27 Ca -0.02 0.01 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 1y4h n PHE 27 Cb 0.13 -0.15 -0.03 0.00 -0.94 0.00 0.00 39.48 38.50 1y4h n PHE 27 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1y4h s ILE 28 N -3.10 3.44 -5.00 4.37 -1.09 -1.17 -4.73 121.20 113.91 1y4h s ILE 28 Ca 0.05 1.03 0.00 0.00 -2.23 0.00 0.00 60.65 59.50 1y4h s ILE 28 Cb 0.16 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.38 1y4h s ILE 28 CO 0.85 0.08 0.00 0.61 -1.23 0.00 0.00 174.94 175.25 1y4h n GLY 29 N 3.46 0.27 3.57 6.18 0.00 -0.26 -5.00 105.19 113.41 1y4h n GLY 29 Ca 0.11 -1.73 -0.34 0.00 0.00 0.00 0.00 46.02 44.06 1y4h n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1y4h s ASN 30 N -3.29 4.80 0.02 1.61 0.01 -1.26 -0.82 114.94 116.02 1y4h s ASN 30 Ca 0.00 -0.04 0.00 0.00 -0.71 0.00 0.00 52.86 52.12 1y4h s ASN 30 Cb 0.00 -1.47 -0.02 0.00 0.41 0.00 0.00 41.25 40.17 1y4h s ASN 30 CO 0.00 0.29 -0.03 0.26 -1.51 0.00 0.00 177.10 176.10 1y4h s TRP 31 N -0.36 0.29 0.06 2.20 0.52 -0.18 0.07 118.94 121.54 1y4h s TRP 31 Ca 0.06 -0.49 0.03 0.00 0.02 0.00 0.00 56.10 55.71 1y4h s TRP 31 Cb -0.12 -0.20 -0.03 0.00 -1.15 0.00 0.00 33.47 31.96 1y4h s TRP 31 CO 0.02 -0.16 -0.09 -1.12 0.02 0.00 0.00 176.95 175.62 1y4h s SER 32 N -1.37 1.05 -0.18 2.95 0.01 0.01 -0.67 113.70 115.51 1y4h s SER 32 Ca -0.14 -0.65 -0.00 0.00 1.31 0.00 0.00 55.95 56.47 1y4h s SER 32 Cb -0.09 0.03 0.04 0.00 0.21 0.00 0.00 66.02 66.21 1y4h s SER 32 CO -0.01 -0.23 -0.07 0.21 0.41 0.00 0.00 173.24 173.55 1y4h s ASN 33 N -1.90 3.07 0.22 2.44 3.84 -0.30 -0.66 114.94 121.65 1y4h s ASN 33 Ca -0.04 -0.76 -0.06 0.00 0.21 0.00 0.00 52.86 52.21 1y4h s ASN 33 Cb -0.07 -1.03 0.19 0.00 -0.55 0.00 0.00 41.25 39.79 1y4h s ASN 33 CO -0.00 -0.17 1.71 0.45 -2.79 0.00 0.00 177.10 176.29 1y4h h HIS 34 N 8.06 1.04 -0.60 0.43 3.86 -1.90 -1.69 115.15 124.35 1y4h h HIS 34 Ca -0.25 -0.15 -0.05 0.00 -1.16 0.00 0.00 60.37 58.76 1y4h h HIS 34 Cb 1.11 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 29.27 1y4h h HIS 34 CO 0.47 0.91 0.17 1.96 0.86 0.00 0.00 177.93 182.30 1y4h h GLN 35 N 0.91 0.95 -0.00 2.45 7.50 -1.96 -2.57 115.11 122.38 1y4h h GLN 35 Ca 0.17 -0.21 0.00 0.00 0.50 0.00 0.00 58.65 59.11 1y4h h GLN 35 Cb 0.47 -0.13 0.00 0.00 0.05 0.00 0.00 27.48 27.87 1y4h h GLN 35 CO 0.02 0.85 -0.28 1.28 -1.50 0.00 0.00 178.83 179.20 1y4h n LEU 36 N -4.38 0.57 -3.86 1.46 4.77 -1.22 -4.97 117.00 109.38 1y4h n LEU 36 Ca 0.03 -0.01 -0.38 0.00 -0.03 0.00 0.00 56.01 55.63 1y4h n LEU 36 Cb 0.22 -0.23 0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1y4h n LEU 36 CO 0.40 0.12 -0.12 0.00 -1.33 0.00 0.00 177.39 176.46 1y4h n GLN 37 N -1.14 -0.86 -3.88 3.23 6.02 -0.69 -4.87 117.38 115.18 1y4h n GLN 37 Ca 0.10 0.29 -0.12 0.00 -0.01 0.00 0.00 57.00 57.26 1y4h n GLN 37 Cb 0.33 -3.45 -0.13 0.00 1.02 0.00 0.00 30.24 28.00 1y4h n GLN 37 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1y4h s LYS 38 N -6.63 0.08 0.10 -1.09 2.20 -0.88 -1.57 119.74 111.95 1y4h s LYS 38 Ca 0.47 -0.08 0.06 0.00 -0.36 0.00 0.00 55.97 56.06 1y4h s LYS 38 Cb -0.21 0.03 -0.03 0.00 -1.51 0.00 0.00 37.83 36.11 1y4h s LYS 38 CO 0.91 -0.01 -0.15 0.45 -0.36 0.00 0.00 175.35 176.19 1y4h s SER 39 N -0.24 1.90 -0.02 1.43 0.15 0.20 -1.15 113.70 115.97 1y4h s SER 39 Ca -0.03 -0.72 0.05 0.00 0.70 0.00 0.00 55.95 55.95 1y4h s SER 39 Cb -0.02 -0.06 -0.01 0.00 -1.71 0.00 0.00 66.02 64.22 1y4h s SER 39 CO -0.00 -0.10 -0.16 0.27 1.20 0.00 0.00 173.24 174.45 1y4h s ILE 40 N -1.71 1.25 -0.30 6.45 -4.36 0.16 -1.12 121.20 121.55 1y4h s ILE 40 Ca 0.04 -0.67 0.03 0.00 -0.26 0.00 0.00 60.65 59.79 1y4h s ILE 40 Cb -0.07 -1.04 0.08 0.00 1.25 0.00 0.00 42.46 42.67 1y4h s ILE 40 CO 0.03 0.35 -0.02 0.00 0.24 0.00 0.00 174.94 175.54 1y4h s ILE 42 N 1.04 4.76 0.16 0.00 1.01 0.00 -0.72 121.20 127.46 1y4h s ILE 42 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.65 1y4h s ILE 42 Cb -0.20 -3.23 -0.05 0.00 0.01 0.00 0.00 42.46 38.99 1y4h s ILE 42 CO -0.06 0.32 -0.02 -0.13 0.00 0.00 0.00 174.94 175.06 1y4h s ARG 43 N 1.52 1.08 -0.51 2.79 1.81 -0.44 -1.10 118.95 124.09 1y4h s ARG 43 Ca 0.06 -1.51 -0.22 0.00 -1.72 0.00 0.00 55.73 52.34 1y4h s ARG 43 Cb -0.15 -0.31 0.04 0.00 -0.45 0.00 0.00 34.95 34.08 1y4h s ARG 43 CO 0.06 -0.10 0.81 -1.58 -0.68 0.00 0.00 175.30 173.82 1y4h s HIS 44 N -3.61 2.91 0.00 -0.53 5.65 -1.26 -1.05 115.29 117.39 1y4h s HIS 44 Ca 0.22 -0.13 0.00 0.00 0.25 0.00 0.00 55.06 55.40 1y4h s HIS 44 Cb 0.06 -3.82 0.00 0.00 -1.18 0.00 0.00 32.58 27.64 1y4h s HIS 44 CO 0.03 -1.18 0.00 0.41 -0.65 0.00 0.00 174.74 173.35 1y4h n GLY 45 N 5.10 0.53 1.11 1.59 0.00 0.19 -4.89 105.19 108.82 1y4h n GLY 45 Ca -0.01 -1.88 -0.07 0.00 0.00 0.00 0.00 46.02 44.06 1y4h n GLY 45 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1y4h n ASP 46 N -1.69 0.12 0.11 1.61 5.68 -1.26 -4.66 116.55 116.46 1y4h n ASP 46 Ca 0.00 -1.75 0.12 0.00 -0.50 0.00 0.00 54.79 52.66 1y4h n ASP 46 Cb 0.00 0.51 0.47 0.00 -1.14 0.00 0.00 41.12 40.96 1y4h n ASP 46 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1y4h n ASP 47 N -2.36 0.61 -1.01 -1.12 8.00 -1.26 -1.58 116.55 117.83 1y4h n ASP 47 Ca 0.01 0.64 0.12 0.00 0.71 0.00 0.00 54.79 56.27 1y4h n ASP 47 Cb 0.21 -0.77 0.21 0.00 -0.02 0.00 0.00 41.12 40.75 1y4h n ASP 47 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1y4h n THR 48 N -2.16 0.31 -1.88 -3.53 -2.24 -1.26 -4.98 114.28 98.53 1y4h n THR 48 Ca 0.03 -0.61 -0.36 0.00 -2.27 0.00 0.00 64.05 60.83 1y4h n THR 48 Cb 0.25 1.04 0.05 0.00 -2.10 0.00 0.00 70.33 69.57 1y4h n THR 48 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1y4h s SER 49 N -1.67 4.93 0.75 3.42 0.01 -0.62 -5.06 113.70 115.48 1y4h s SER 49 Ca 0.35 2.45 -0.11 0.00 1.31 0.00 0.00 55.95 59.95 1y4h s SER 49 Cb 0.21 -2.60 0.05 0.00 0.21 0.00 0.00 66.02 63.89 1y4h s SER 49 CO 0.31 -1.77 1.13 -1.00 0.41 0.00 0.00 173.24 172.31 1y4h s HIS 50 N -1.58 3.10 -1.39 2.43 3.76 -1.26 -4.53 115.29 115.82 1y4h s HIS 50 Ca 0.79 0.84 -0.04 0.00 -0.15 0.00 0.00 55.06 56.50 1y4h s HIS 50 Cb -0.32 -3.29 0.03 0.00 1.11 0.00 0.00 32.58 30.11 1y4h s HIS 50 CO 0.36 -1.49 0.72 0.09 -0.85 0.00 0.00 174.74 173.58 1y4h n ASN 51 N -3.15 -1.98 -4.75 1.40 3.02 -1.26 -4.60 115.26 103.95 1y4h n ASN 51 Ca 0.07 -0.85 -0.40 0.00 -0.03 0.00 0.00 54.58 53.37 1y4h n ASN 51 Cb 0.59 -3.79 -0.05 0.00 -0.61 0.00 0.00 39.78 35.91 1y4h n ASN 51 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1y4h s GLN 52 N -6.27 4.78 0.02 3.52 -0.21 -1.26 -1.29 119.66 118.95 1y4h s GLN 52 Ca 0.19 1.60 0.03 0.00 0.02 0.00 0.00 55.36 57.20 1y4h s GLN 52 Cb -0.10 -3.25 -0.01 0.00 1.00 0.00 0.00 33.01 30.65 1y4h s GLN 52 CO 0.83 0.41 -0.10 0.71 -2.12 0.00 0.00 175.29 175.02 1y4h s TYR 53 N -1.15 0.85 0.17 0.91 1.51 -0.56 -3.72 117.35 115.36 1y4h s TYR 53 Ca 0.42 -0.27 0.08 0.00 -1.01 0.00 0.00 57.07 56.29 1y4h s TYR 53 Cb -0.28 -0.53 -0.04 0.00 -0.11 0.00 0.00 41.96 41.00 1y4h s TYR 53 CO 0.35 -0.01 -0.06 -3.38 -1.11 0.00 0.00 175.55 171.34 1y4h s HIS 54 N -0.62 2.73 -0.04 2.71 -3.43 -0.22 -1.39 115.29 115.03 1y4h s HIS 54 Ca 0.00 -0.18 -0.23 0.00 -0.80 0.00 0.00 55.06 53.85 1y4h s HIS 54 Cb -0.06 -1.34 -0.04 0.00 -1.43 0.00 0.00 32.58 29.71 1y4h s HIS 54 CO 0.00 0.50 0.69 0.42 -2.00 0.00 0.00 174.74 174.35 1y4h s ILE 55 N -1.64 4.98 -0.25 -5.38 -1.09 -1.26 -1.98 121.20 114.57 1y4h s ILE 55 Ca 0.25 1.43 -0.00 0.00 -2.23 0.00 0.00 60.65 60.10 1y4h s ILE 55 Cb -0.09 -4.03 -0.17 0.00 -1.58 0.00 0.00 42.46 36.58 1y4h s ILE 55 CO 0.16 0.30 -0.18 0.18 -1.23 0.00 0.00 174.94 174.17 1y4h n LEU 56 N 3.44 2.86 -3.68 2.97 4.77 0.42 -4.96 117.00 122.82 1y4h n LEU 56 Ca -0.03 -0.07 -0.13 0.00 -0.03 0.00 0.00 56.01 55.76 1y4h n LEU 56 Cb 0.51 -0.92 -0.08 0.00 -2.33 0.00 0.00 43.42 40.59 1y4h n LEU 56 CO 0.46 0.90 0.26 0.12 -1.33 0.00 0.00 177.39 177.80 1y4h s PHE 57 N -2.52 -0.64 -0.22 -1.77 5.36 -0.92 -4.98 117.98 112.29 1y4h s PHE 57 Ca -0.34 1.54 -0.01 0.00 -0.96 0.00 0.00 56.93 57.16 1y4h s PHE 57 Cb 0.09 0.23 0.02 0.00 -0.34 0.00 0.00 43.02 43.02 1y4h s PHE 57 CO 0.61 -0.31 -0.11 0.42 -1.46 0.00 0.00 175.22 174.37 1y4h s ILE 58 N 0.37 2.63 -0.67 3.12 1.01 -1.26 -1.34 121.20 125.06 1y4h s ILE 58 Ca -0.01 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 59.57 1y4h s ILE 58 Cb -0.04 -2.26 0.17 0.00 0.01 0.00 0.00 42.46 40.34 1y4h s ILE 58 CO -0.00 0.33 0.57 -0.62 0.00 0.00 0.00 174.94 175.22 1y4h s ASP 59 N 1.32 6.16 0.40 3.58 -1.08 0.72 -4.91 116.67 122.87 1y4h s ASP 59 Ca 0.02 -2.41 0.21 0.00 -0.52 0.00 0.00 52.55 49.85 1y4h s ASP 59 Cb -0.15 -2.10 0.78 0.00 -1.46 0.00 0.00 42.92 39.98 1y4h s ASP 59 CO -0.07 -0.61 1.77 0.71 0.52 0.00 0.00 175.17 177.49 1y4h h THR 60 N 5.34 0.73 -0.11 1.71 1.35 -1.94 -0.58 112.91 119.41 1y4h h THR 60 Ca -0.05 -1.34 -0.16 0.00 -0.55 0.00 0.00 66.41 64.31 1y4h h THR 60 Cb 1.04 1.86 -0.01 0.00 -1.73 0.00 0.00 68.15 69.31 1y4h h THR 60 CO 0.82 0.30 -0.61 0.00 -0.25 0.00 0.00 175.52 175.77 1y4h h ALA 61 N 1.69 0.74 -0.19 6.62 0.00 -1.94 -3.21 119.26 122.98 1y4h h ALA 61 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1y4h h ALA 61 Cb 0.84 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1y4h h ALA 61 CO 0.04 0.72 0.00 0.72 0.00 0.00 0.00 179.25 180.73 1y4h n HIS 62 N -3.90 0.25 -3.57 0.00 8.25 -1.14 -5.01 115.22 110.10 1y4h n HIS 62 Ca -0.03 -0.27 -0.24 0.00 -0.26 0.00 0.00 57.72 56.92 1y4h n HIS 62 Cb 0.63 -0.01 0.05 0.00 1.12 0.00 0.00 29.99 31.77 1y4h n HIS 62 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1y4h n GLN 63 N 0.56 -2.81 -3.88 -0.41 6.02 -0.32 -4.69 117.38 111.86 1y4h n GLN 63 Ca 0.09 0.62 -0.12 0.00 -0.01 0.00 0.00 57.00 57.59 1y4h n GLN 63 Cb 0.36 -4.95 -0.13 0.00 1.02 0.00 0.00 30.24 26.53 1y4h n GLN 63 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1y4h s ARG 64 N -5.56 0.06 0.01 -1.09 3.52 -0.66 -1.94 118.95 113.29 1y4h s ARG 64 Ca 0.30 -0.08 0.06 0.00 -0.13 0.00 0.00 55.73 55.89 1y4h s ARG 64 Cb -0.08 0.02 -0.02 0.00 -1.56 0.00 0.00 34.95 33.31 1y4h s ARG 64 CO 0.81 -0.01 -0.19 0.96 -0.81 0.00 0.00 175.30 176.06 1y4h s ILE 65 N -0.22 1.51 -0.03 4.11 -4.36 -0.47 -0.20 121.20 121.55 1y4h s ILE 65 Ca -0.02 -0.95 0.04 0.00 -0.26 0.00 0.00 60.65 59.46 1y4h s ILE 65 Cb -0.02 -1.28 -0.03 0.00 1.25 0.00 0.00 42.46 42.38 1y4h s ILE 65 CO -0.00 0.31 -0.15 -0.54 0.24 0.00 0.00 174.94 174.81 1y4h s LYS 66 N -0.74 2.41 0.22 0.37 1.02 -0.45 -1.04 119.74 121.53 1y4h s LYS 66 Ca 0.07 -0.76 -0.16 0.00 0.02 0.00 0.00 55.97 55.14 1y4h s LYS 66 Cb -0.08 -2.34 0.02 0.00 -0.52 0.00 0.00 37.83 34.91 1y4h s LYS 66 CO 0.00 0.60 0.53 -0.59 -0.92 0.00 0.00 175.35 174.97 1y4h s PHE 67 N -0.79 0.04 0.08 3.18 -0.71 -0.55 -0.44 117.98 118.79 1y4h s PHE 67 Ca 0.13 -0.41 -0.12 0.00 -1.04 0.00 0.00 56.93 55.49 1y4h s PHE 67 Cb -0.11 0.36 0.01 0.00 -1.21 0.00 0.00 43.02 42.07 1y4h s PHE 67 CO 0.02 -0.98 0.27 -1.54 -1.34 0.00 0.00 175.22 171.65 1y4h s SER 68 N -2.93 -0.03 0.16 1.98 1.04 -0.84 -0.59 113.70 112.49 1y4h s SER 68 Ca 0.14 -0.42 -0.04 0.00 0.48 0.00 0.00 55.95 56.10 1y4h s SER 68 Cb -0.01 0.37 -0.05 0.00 0.10 0.00 0.00 66.02 66.42 1y4h s SER 68 CO 0.02 -0.71 0.39 -0.94 0.98 0.00 0.00 173.24 172.98 1y4h s SER 69 N -2.56 6.48 0.52 7.02 1.04 -1.26 -1.06 113.70 123.87 1y4h s SER 69 Ca 0.01 0.58 0.25 0.00 0.48 0.00 0.00 55.95 57.26 1y4h s SER 69 Cb 0.02 -2.08 1.42 0.00 0.10 0.00 0.00 66.02 65.47 1y4h s SER 69 CO -0.09 0.03 2.09 -0.26 0.98 0.00 0.00 173.24 175.99 1y4h h PHE 70 N 2.67 0.00 -0.42 5.02 0.04 -1.97 -2.85 116.94 119.43 1y4h h PHE 70 Ca -0.46 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.26 1y4h h PHE 70 Cb 1.17 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.30 1y4h h PHE 70 CO 0.60 0.11 0.07 -0.44 -0.60 0.00 0.00 178.31 178.06 1y4h h ASP 71 N 0.00 0.60 -1.92 2.17 3.32 -1.94 -3.38 116.42 115.27 1y4h h ASP 71 Ca -0.00 -0.10 -0.35 0.00 0.02 0.00 0.00 57.03 56.60 1y4h h ASP 71 Cb 0.26 -0.16 -0.31 0.00 0.22 0.00 0.00 39.33 39.35 1y4h h ASP 71 CO 0.01 0.62 -0.67 0.21 -1.72 0.00 0.00 179.24 177.69 1y4h s ASN 72 N -6.67 1.06 0.00 6.45 3.84 -1.08 -5.01 114.94 113.53 1y4h s ASN 72 Ca -0.08 -1.50 0.11 0.00 0.21 0.00 0.00 52.86 51.59 1y4h s ASN 72 Cb 0.16 0.62 0.46 0.00 -0.55 0.00 0.00 41.25 41.94 1y4h s ASN 72 CO 0.78 -0.26 1.33 -0.62 -2.79 0.00 0.00 177.10 175.53 1y4h n GLU 73 N 4.31 0.02 0.00 0.43 -0.58 -1.18 -2.73 120.64 120.91 1y4h n GLU 73 Ca 0.10 0.30 0.14 0.00 -0.42 0.00 0.00 57.16 57.29 1y4h n GLU 73 Cb 0.46 -1.50 0.58 0.00 -0.57 0.00 0.00 31.44 30.41 1y4h n GLU 73 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1y4h n GLU 74 N -1.48 0.38 -4.55 3.49 -0.58 -1.26 -4.75 120.64 111.89 1y4h n GLU 74 Ca 0.03 -0.11 -0.33 0.00 -0.42 0.00 0.00 57.16 56.33 1y4h n GLU 74 Cb 0.12 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 29.36 1y4h n GLU 74 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1y4h s ILE 75 N -2.69 3.39 -0.17 -3.67 1.01 -1.10 0.22 121.20 118.18 1y4h s ILE 75 Ca 0.23 -0.53 -0.07 0.00 0.00 0.00 0.00 60.65 60.27 1y4h s ILE 75 Cb 0.19 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 1y4h s ILE 75 CO 0.52 0.50 0.07 -0.63 0.00 0.00 0.00 174.94 175.40 1y4h s ILE 76 N 0.47 4.88 -0.04 2.92 1.01 0.15 -4.53 121.20 126.05 1y4h s ILE 76 Ca -0.07 -0.01 -0.13 0.00 0.00 0.00 0.00 60.65 60.45 1y4h s ILE 76 Cb -0.15 -3.18 -0.05 0.00 0.01 0.00 0.00 42.46 39.08 1y4h s ILE 76 CO 0.04 0.48 0.34 -0.31 0.00 0.00 0.00 174.94 175.49 1y4h s TYR 77 N 0.15 3.67 -0.14 3.97 1.51 0.24 -1.02 117.35 125.72 1y4h s TYR 77 Ca 0.05 0.85 0.00 0.00 -1.01 0.00 0.00 57.07 56.97 1y4h s TYR 77 Cb -0.12 -2.22 0.03 0.00 -0.11 0.00 0.00 41.96 39.53 1y4h s TYR 77 CO 0.00 0.62 -0.11 0.42 -1.11 0.00 0.00 175.55 175.37 1y4h s ILE 78 N -0.88 1.38 -0.12 2.71 1.09 0.55 -1.48 121.20 124.45 1y4h s ILE 78 Ca 0.21 -0.57 -0.01 0.00 -1.10 0.00 0.00 60.65 59.18 1y4h s ILE 78 Cb -0.15 -1.36 -0.03 0.00 -1.06 0.00 0.00 42.46 39.86 1y4h s ILE 78 CO 0.10 0.38 -0.06 -0.76 -0.10 0.00 0.00 174.94 174.49 1y4h s LEU 79 N 1.56 3.13 -0.03 2.97 1.43 -0.21 -0.74 118.68 126.77 1y4h s LEU 79 Ca 0.04 -0.13 0.06 0.00 -1.03 0.00 0.00 54.13 53.07 1y4h s LEU 79 Cb -0.13 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 1y4h s LEU 79 CO -0.10 0.24 -0.22 -1.81 0.23 0.00 0.00 176.35 174.69 1y4h s ASP 80 N -0.05 2.62 0.18 2.29 1.11 -0.05 -1.37 116.67 121.40 1y4h s ASP 80 Ca 0.00 -0.42 -0.30 0.00 0.18 0.00 0.00 52.55 52.01 1y4h s ASP 80 Cb -0.13 -0.51 -0.08 0.00 1.07 0.00 0.00 42.92 43.27 1y4h s ASP 80 CO 0.03 0.24 1.01 -0.47 1.18 0.00 0.00 175.17 177.15 1y4h s TYR 81 N -0.29 3.78 -0.01 4.23 5.04 -0.82 -0.42 117.35 128.86 1y4h s TYR 81 Ca 0.02 1.77 -0.07 0.00 -2.44 0.00 0.00 57.07 56.35 1y4h s TYR 81 Cb -0.11 -3.12 -0.02 0.00 0.35 0.00 0.00 41.96 39.06 1y4h s TYR 81 CO 0.01 -0.02 -0.14 -3.47 -1.34 0.00 0.00 175.55 170.60 1y4h n ASP 82 N 2.17 1.43 -0.16 4.32 2.03 -0.90 -4.89 116.55 120.55 1y4h n ASP 82 Ca 0.01 0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.53 1y4h n ASP 82 Cb 0.47 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 1y4h n ASP 82 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1y4h n ASP 83 N -3.86 0.00 0.17 1.67 5.68 -0.89 -5.00 116.55 114.32 1y4h n ASP 83 Ca -0.06 -0.16 0.03 0.00 -0.50 0.00 0.00 54.79 54.11 1y4h n ASP 83 Cb 0.21 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.48 1y4h n ASP 83 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1y4h h THR 84 N 0.16 1.08 -0.27 2.12 1.35 -2.01 -3.15 112.91 112.19 1y4h h THR 84 Ca 0.00 -1.66 0.00 0.00 -0.55 0.00 0.00 66.41 64.20 1y4h h THR 84 Cb 0.00 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 1y4h h THR 84 CO 0.00 0.43 0.00 0.00 -0.25 0.00 0.00 175.52 175.70 1y4h n GLN 85 N -3.66 2.46 -3.81 4.72 1.13 -1.26 -4.94 117.38 112.01 1y4h n GLN 85 Ca -0.01 -1.85 -0.12 0.00 -1.94 0.00 0.00 57.00 53.08 1y4h n GLN 85 Cb 0.53 -1.24 -0.13 0.00 0.11 0.00 0.00 30.24 29.51 1y4h n GLN 85 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1y4h s HIS 86 N -0.97 -0.17 0.32 1.08 3.76 -1.19 -0.21 115.29 117.90 1y4h s HIS 86 Ca 0.20 0.43 0.05 0.00 -0.15 0.00 0.00 55.06 55.59 1y4h s HIS 86 Cb 0.11 0.05 -0.06 0.00 1.11 0.00 0.00 32.58 33.79 1y4h s HIS 86 CO 0.14 -0.09 0.01 0.96 -0.85 0.00 0.00 174.74 174.92 1y4h s ILE 87 N 0.14 1.43 -0.12 0.60 -4.36 -0.58 -2.10 121.20 116.21 1y4h s ILE 87 Ca -0.00 -2.04 0.03 0.00 -0.26 0.00 0.00 60.65 58.38 1y4h s ILE 87 Cb -0.02 -2.70 0.01 0.00 1.25 0.00 0.00 42.46 41.00 1y4h s ILE 87 CO -0.00 -0.11 -0.22 -0.76 0.24 0.00 0.00 174.94 174.09 1y4h s LEU 88 N -3.50 2.06 -0.12 0.37 1.43 0.44 -0.91 118.68 118.45 1y4h s LEU 88 Ca 0.34 -0.56 -0.01 0.00 -1.03 0.00 0.00 54.13 52.87 1y4h s LEU 88 Cb 0.07 -1.38 -0.02 0.00 0.03 0.00 0.00 46.19 44.89 1y4h s LEU 88 CO 0.14 0.11 -0.10 -0.32 0.23 0.00 0.00 176.35 176.42 1y4h s MET 89 N 0.60 3.26 0.08 1.70 1.75 0.06 -0.88 119.30 125.88 1y4h s MET 89 Ca -0.13 -0.62 0.05 0.00 -1.25 0.00 0.00 55.69 53.74 1y4h s MET 89 Cb -0.17 -2.67 -0.03 0.00 2.84 0.00 0.00 34.83 34.80 1y4h s MET 89 CO 0.03 0.34 -0.12 -1.14 -0.65 0.00 0.00 175.02 173.48 1y4h s GLN 90 N 0.04 0.83 0.11 4.11 0.74 0.08 -0.20 119.66 125.37 1y4h s GLN 90 Ca -0.03 -1.04 0.09 0.00 0.05 0.00 0.00 55.36 54.43 1y4h s GLN 90 Cb -0.14 -0.70 -0.04 0.00 1.10 0.00 0.00 33.01 33.23 1y4h s GLN 90 CO 0.04 0.14 -0.22 0.95 -0.55 0.00 0.00 175.29 175.65 1y4h s THR 91 N -1.77 1.81 -0.04 -0.34 -4.23 -1.26 -0.33 115.64 109.49 1y4h s THR 91 Ca 0.01 -1.62 -0.06 0.00 -1.18 0.00 0.00 61.69 58.85 1y4h s THR 91 Cb -0.07 -1.66 0.01 0.00 1.34 0.00 0.00 72.50 72.12 1y4h s THR 91 CO 0.02 -0.06 0.14 -0.55 -0.54 0.00 0.00 174.62 173.62 1y4h s SER 92 N -2.01 -0.09 0.09 3.99 0.15 -0.19 -0.64 113.70 115.01 1y4h s SER 92 Ca 0.09 0.12 -0.30 0.00 0.70 0.00 0.00 55.95 56.56 1y4h s SER 92 Cb -0.10 0.27 -0.05 0.00 -1.71 0.00 0.00 66.02 64.43 1y4h s SER 92 CO 0.05 -0.16 0.98 -0.44 1.20 0.00 0.00 173.24 174.87 1y4h s SER 93 N -0.42 7.45 0.18 5.45 0.01 -0.58 -0.67 113.70 125.13 1y4h s SER 93 Ca -0.05 1.79 -0.04 0.00 1.31 0.00 0.00 55.95 58.96 1y4h s SER 93 Cb -0.03 -2.59 0.09 0.00 0.21 0.00 0.00 66.02 63.70 1y4h s SER 93 CO 0.01 -0.12 1.50 0.50 0.41 0.00 0.00 173.24 175.53 1y4h h LYS 94 N 5.82 0.61 -5.28 12.44 3.64 -0.56 -3.41 116.57 129.83 1y4h h LYS 94 Ca -0.43 -0.38 -0.65 0.00 -1.27 0.00 0.00 60.65 57.93 1y4h h LYS 94 Cb 1.21 0.04 -0.24 0.00 -0.41 0.00 0.00 32.23 32.83 1y4h h LYS 94 CO 0.73 0.99 -0.71 1.14 -2.27 0.00 0.00 179.45 179.33 1y4h s GLN 95 N -4.06 3.54 0.00 1.90 -2.07 -1.26 -5.02 119.66 112.69 1y4h s GLN 95 Ca -0.08 -0.59 0.00 0.00 -1.82 0.00 0.00 55.36 52.87 1y4h s GLN 95 Cb 0.11 -2.82 0.00 0.00 -1.09 0.00 0.00 33.01 29.21 1y4h s GLN 95 CO 0.85 0.19 0.00 0.41 -1.32 0.00 0.00 175.29 175.42 1y4h n GLY 96 N 3.65 0.62 3.42 2.60 0.00 -1.26 -4.92 105.19 109.30 1y4h n GLY 96 Ca -0.18 -2.09 -0.39 0.00 0.00 0.00 0.00 46.02 43.37 1y4h n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y4h s ILE 97 N -1.25 4.58 0.00 -0.61 1.01 -1.26 -4.82 121.20 118.86 1y4h s ILE 97 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.10 1y4h s ILE 97 Cb 0.00 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 39.07 1y4h s ILE 97 CO 0.00 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.54 1y4h n GLY 98 N 4.98 1.00 3.03 6.18 0.00 -1.26 -5.02 105.19 114.09 1y4h n GLY 98 Ca -0.13 0.56 -0.13 0.00 0.00 0.00 0.00 46.02 46.32 1y4h n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y4h s THR 99 N 0.00 -0.16 0.90 2.61 2.01 -1.26 -1.52 115.64 118.22 1y4h s THR 99 Ca 0.00 0.20 -0.11 0.00 0.31 0.00 0.00 61.69 62.08 1y4h s THR 99 Cb 0.00 -0.39 0.13 0.00 0.01 0.00 0.00 72.50 72.25 1y4h s THR 99 CO 0.00 0.08 1.09 -0.94 -0.69 0.00 0.00 174.62 174.16 1y4h s SER 100 N 1.63 3.41 0.43 3.53 1.04 0.19 -5.01 113.70 118.92 1y4h s SER 100 Ca -0.06 1.52 -0.26 0.00 0.48 0.00 0.00 55.95 57.64 1y4h s SER 100 Cb -0.11 -2.20 -0.09 0.00 0.10 0.00 0.00 66.02 63.73 1y4h s SER 100 CO -0.08 -2.68 1.37 -0.60 0.98 0.00 0.00 173.24 172.22 1y4h s ARG 101 N -4.91 3.84 0.16 4.02 3.52 -1.26 -4.70 118.95 119.62 1y4h s ARG 101 Ca 0.64 2.29 -0.31 0.00 -0.13 0.00 0.00 55.73 58.21 1y4h s ARG 101 Cb -0.18 -2.71 -0.11 0.00 -1.56 0.00 0.00 34.95 30.38 1y4h s ARG 101 CO 0.57 -0.65 1.78 -2.14 -0.81 0.00 0.00 175.30 174.05 1y4h s PRO 102 N -2.34 4.13 -0.19 5.12 0.02 -1.26 -4.63 135.00 135.86 1y4h s PRO 102 Ca 0.59 2.60 -0.08 0.00 0.02 0.00 0.00 61.00 64.13 1y4h s PRO 102 Cb -0.41 -3.35 -0.04 0.00 0.02 0.00 0.00 34.50 30.72 1y4h s PRO 102 CO 0.53 -0.80 0.08 0.42 -0.33 0.00 0.00 177.00 176.90 1y4h s ILE 103 N 2.00 4.88 -0.01 2.83 -1.09 0.72 -4.86 121.20 125.67 1y4h s ILE 103 Ca 0.78 0.00 -0.26 0.00 -2.23 0.00 0.00 60.65 58.94 1y4h s ILE 103 Cb -0.48 -3.21 -0.04 0.00 -1.58 0.00 0.00 42.46 37.15 1y4h s ILE 103 CO 0.34 0.45 0.79 0.54 -1.23 0.00 0.00 174.94 175.84 1y4h s VAL 104 N 0.44 4.88 -0.07 2.92 0.11 -1.26 -0.76 120.40 126.65 1y4h s VAL 104 Ca 0.04 1.67 0.05 0.00 -2.93 0.00 0.00 61.98 60.80 1y4h s VAL 104 Cb -0.12 -4.14 -0.00 0.00 -1.53 0.00 0.00 36.38 30.59 1y4h s VAL 104 CO 0.00 0.27 -0.22 -0.31 -3.33 0.00 0.00 175.10 171.52 1y4h s TYR 105 N 0.51 2.22 -0.01 1.54 1.51 -0.09 -4.55 117.35 118.49 1y4h s TYR 105 Ca 0.41 -0.76 -0.01 0.00 -1.01 0.00 0.00 57.07 55.71 1y4h s TYR 105 Cb -0.20 -1.49 -0.04 0.00 -0.11 0.00 0.00 41.96 40.13 1y4h s TYR 105 CO 0.22 -0.28 0.07 -1.83 -1.11 0.00 0.00 175.55 172.63 1y4h s GLU 106 N 0.13 3.05 0.10 -0.62 -1.05 0.17 -1.53 118.70 118.95 1y4h s GLU 106 Ca -0.10 -0.48 -0.31 0.00 -0.15 0.00 0.00 54.97 53.93 1y4h s GLU 106 Cb -0.15 -2.85 -0.10 0.00 -0.44 0.00 0.00 34.13 30.59 1y4h s GLU 106 CO 0.05 0.65 1.86 0.50 0.95 0.00 0.00 175.26 179.27 1y4h s ARG 107 N -1.67 4.14 -0.48 -4.83 3.52 0.70 -0.81 118.95 119.53 1y4h s ARG 107 Ca 0.22 2.59 -0.29 0.00 -0.13 0.00 0.00 55.73 58.12 1y4h s ARG 107 Cb -0.12 -3.73 0.03 0.00 -1.56 0.00 0.00 34.95 29.57 1y4h s ARG 107 CO 0.13 -0.87 1.21 -0.51 -0.81 0.00 0.00 175.30 174.45 1y4h s LEU 108 N 3.15 3.60 0.00 -0.88 1.43 0.11 -4.89 118.68 121.20 1y4h s LEU 108 Ca 0.82 0.49 0.00 0.00 -1.03 0.00 0.00 54.13 54.42 1y4h s LEU 108 Cb -0.45 -3.50 0.00 0.00 0.03 0.00 0.00 46.19 42.27 1y4h s LEU 108 CO 0.37 -1.33 0.00 1.33 0.23 0.00 0.00 176.35 176.95