#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hiv s ILE 2 N 0.00 4.76 -0.12 1.55 1.01 -1.26 -5.02 121.20 122.12 3hiv s ILE 2 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.64 3hiv s ILE 2 Cb 0.00 -3.18 0.01 0.00 0.01 0.00 0.00 42.46 39.31 3hiv s ILE 2 CO 0.00 0.41 -0.18 -0.63 0.00 0.00 0.00 174.94 174.54 3hiv s ILE 3 N 0.79 1.69 0.07 2.92 1.01 -1.26 0.39 121.20 126.81 3hiv s ILE 3 Ca 0.04 -0.76 0.10 0.00 0.00 0.00 0.00 60.65 60.03 3hiv s ILE 3 Cb -0.13 -1.52 -0.03 0.00 0.01 0.00 0.00 42.46 40.79 3hiv s ILE 3 CO 0.02 0.48 -0.26 -0.31 0.00 0.00 0.00 174.94 174.87 3hiv s TYR 4 N 0.90 2.35 -0.03 3.97 2.02 0.22 -4.99 117.35 121.79 3hiv s TYR 4 Ca -0.07 -0.38 0.06 0.00 -0.37 0.00 0.00 57.07 56.30 3hiv s TYR 4 Cb -0.15 -1.35 -0.01 0.00 -0.40 0.00 0.00 41.96 40.04 3hiv s TYR 4 CO -0.01 0.21 -0.20 -1.21 -1.57 0.00 0.00 175.55 172.77 3hiv s GLU 5 N -1.54 1.85 -0.20 -0.62 2.02 -1.26 0.21 118.70 119.16 3hiv s GLU 5 Ca 0.13 -0.72 0.01 0.00 0.02 0.00 0.00 54.97 54.41 3hiv s GLU 5 Cb -0.10 -1.68 0.03 0.00 0.10 0.00 0.00 34.13 32.47 3hiv s GLU 5 CO 0.04 0.36 -0.17 -1.17 0.02 0.00 0.00 175.26 174.34 3hiv s LEU 6 N -0.25 2.41 0.16 1.80 2.96 0.10 -4.89 118.68 120.97 3hiv s LEU 6 Ca 0.02 -0.76 -0.30 0.00 -0.22 0.00 0.00 54.13 52.87 3hiv s LEU 6 Cb -0.10 -1.51 -0.07 0.00 0.50 0.00 0.00 46.19 45.01 3hiv s LEU 6 CO 0.01 -0.04 1.15 0.21 -1.32 0.00 0.00 176.35 176.36 3hiv s ASN 7 N 1.27 7.18 0.00 3.68 3.84 -1.26 -1.82 114.94 127.82 3hiv s ASN 7 Ca 0.03 2.12 0.06 0.00 0.21 0.00 0.00 52.86 55.28 3hiv s ASN 7 Cb -0.14 -2.60 0.16 0.00 -0.55 0.00 0.00 41.25 38.12 3hiv s ASN 7 CO -0.11 -0.31 1.13 0.18 -2.79 0.00 0.00 177.10 175.20 3hiv n LEU 8 N 2.65 2.49 -4.42 3.21 4.77 0.16 -4.48 117.00 121.39 3hiv n LEU 8 Ca 0.04 -2.00 -0.39 0.00 -0.03 0.00 0.00 56.01 53.63 3hiv n LEU 8 Cb 0.46 -0.12 -0.11 0.00 -2.33 0.00 0.00 43.42 41.31 3hiv n LEU 8 CO 0.55 0.62 -0.19 -1.10 -1.33 0.00 0.00 177.39 175.94 3hiv s GLN 9 N -1.00 3.15 -1.27 3.23 -0.21 -1.25 -4.51 119.66 117.80 3hiv s GLN 9 Ca 0.12 -0.85 -0.08 0.00 0.02 0.00 0.00 55.36 54.57 3hiv s GLN 9 Cb 0.06 -3.63 0.01 0.00 1.00 0.00 0.00 33.01 30.46 3hiv s GLN 9 CO 0.08 -0.52 1.11 0.41 -2.12 0.00 0.00 175.29 174.25 3hiv n GLY 10 N 4.99 -0.45 3.60 3.09 0.00 -1.26 -4.94 105.19 110.22 3hiv n GLY 10 Ca -0.13 0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3hiv n GLY 10 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hiv n THR 11 N -4.81 2.66 -4.20 2.61 -1.04 -1.26 -5.00 114.28 103.24 3hiv n THR 11 Ca -0.01 -0.50 -0.29 0.00 -2.04 0.00 0.00 64.05 61.21 3hiv n THR 11 Cb 0.56 -1.12 -0.09 0.00 -1.82 0.00 0.00 70.33 67.87 3hiv n THR 11 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3hiv s THR 12 N -1.36 3.61 0.17 12.58 2.01 -1.26 -5.02 115.64 126.36 3hiv s THR 12 Ca 0.66 -1.24 -0.18 0.00 0.31 0.00 0.00 61.69 61.25 3hiv s THR 12 Cb -0.52 -2.73 0.09 0.00 0.01 0.00 0.00 72.50 69.36 3hiv s THR 12 CO 0.55 0.06 1.66 0.11 -0.69 0.00 0.00 174.62 176.31 3hiv h LYS 13 N 3.36 -0.05 -0.37 4.92 1.57 -1.98 -1.50 116.57 122.53 3hiv h LYS 13 Ca -0.48 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.32 3hiv h LYS 13 Cb 1.17 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.47 3hiv h LYS 13 CO 0.55 -0.03 0.22 0.00 -0.57 0.00 0.00 179.45 179.62 3hiv h ALA 14 N 1.30 0.47 -0.55 3.86 0.00 -1.98 -0.89 119.26 121.46 3hiv h ALA 14 Ca 0.19 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.16 3hiv h ALA 14 Cb 0.34 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 3hiv h ALA 14 CO -0.43 -0.13 0.25 1.96 0.00 0.00 0.00 179.25 180.90 3hiv h GLN 15 N 0.44 0.46 -0.20 0.00 4.20 -1.89 0.45 115.11 118.57 3hiv h GLN 15 Ca 0.15 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 3hiv h GLN 15 Cb 0.01 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3hiv h GLN 15 CO -0.07 0.30 0.08 -0.92 -0.67 0.00 0.00 178.83 177.55 3hiv h TYR 16 N 0.47 0.32 -0.67 2.96 3.20 -0.97 -1.21 116.97 121.07 3hiv h TYR 16 Ca 0.25 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 3hiv h TYR 16 Cb 0.22 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 3hiv h TYR 16 CO -0.12 0.37 0.42 0.77 -1.64 0.00 0.00 178.16 177.95 3hiv h SER 17 N 0.17 0.80 0.10 -2.11 0.02 -0.58 -1.72 113.55 110.23 3hiv h SER 17 Ca 0.07 -0.05 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3hiv h SER 17 Cb 0.19 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 3hiv h SER 17 CO -0.00 0.61 -0.12 0.74 -1.14 0.00 0.00 176.83 176.92 3hiv h THR 18 N 0.91 0.72 -0.71 -2.27 2.02 -0.04 -2.05 112.91 111.49 3hiv h THR 18 Ca 0.24 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.51 3hiv h THR 18 Cb -0.05 0.72 -0.07 0.00 -1.74 0.00 0.00 68.15 67.01 3hiv h THR 18 CO -0.05 0.00 0.38 0.15 0.37 0.00 0.00 175.52 176.37 3hiv h PHE 19 N -0.26 0.68 -0.46 3.16 3.57 -0.87 -0.38 116.94 122.38 3hiv h PHE 19 Ca 0.01 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.43 3hiv h PHE 19 Cb 0.26 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 3hiv h PHE 19 CO -0.13 0.27 -0.16 -0.07 -2.23 0.00 0.00 178.31 175.99 3hiv h LEU 20 N 0.65 0.89 -0.74 0.59 3.38 -1.18 -2.54 115.31 116.36 3hiv h LEU 20 Ca 0.34 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3hiv h LEU 20 Cb 0.31 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3hiv h LEU 20 CO -0.24 1.04 0.34 0.50 0.09 0.00 0.00 178.44 180.17 3hiv h LYS 21 N 0.78 1.07 -0.66 1.13 3.64 -0.53 -2.03 116.57 119.97 3hiv h LYS 21 Ca 0.12 -0.17 0.13 0.00 -1.27 0.00 0.00 60.65 59.46 3hiv h LYS 21 Cb 0.69 -0.19 -0.09 0.00 -0.41 0.00 0.00 32.23 32.23 3hiv h LYS 21 CO 0.05 0.84 0.17 1.96 -2.27 0.00 0.00 179.45 180.21 3hiv h GLN 22 N 1.04 0.29 -0.32 1.90 1.08 -0.82 0.17 115.11 118.44 3hiv h GLN 22 Ca 0.25 -0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.41 3hiv h GLN 22 Cb 0.14 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 3hiv h GLN 22 CO -0.03 0.19 0.10 -0.07 -0.95 0.00 0.00 178.83 178.08 3hiv h LEU 23 N 0.30 0.47 -0.05 1.46 3.38 -1.00 0.15 115.31 120.01 3hiv h LEU 23 Ca 0.35 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3hiv h LEU 23 Cb 0.54 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3hiv h LEU 23 CO -0.42 0.54 0.00 0.03 0.09 0.00 0.00 178.44 178.69 3hiv h ARG 24 N 0.37 0.09 -0.49 1.13 3.08 -1.08 -2.94 114.38 114.54 3hiv h ARG 24 Ca 0.10 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.19 3hiv h ARG 24 Cb 0.24 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 3hiv h ARG 24 CO -0.00 0.35 0.33 -0.44 -1.07 0.00 0.00 179.97 179.13 3hiv h ASP 25 N -0.18 0.36 -0.61 7.04 3.32 -0.62 -1.50 116.42 124.24 3hiv h ASP 25 Ca 0.02 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 3hiv h ASP 25 Cb 0.30 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 3hiv h ASP 25 CO 0.00 0.24 0.01 -0.78 -1.72 0.00 0.00 179.24 176.99 3hiv h ASP 26 N 0.42 1.04 0.00 6.45 3.58 -0.79 -3.34 116.42 123.78 3hiv h ASP 26 Ca 0.21 -0.30 0.00 0.00 0.42 0.00 0.00 57.03 57.36 3hiv h ASP 26 Cb 0.31 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.08 3hiv h ASP 26 CO -0.05 1.09 -1.37 2.30 -2.88 0.00 0.00 179.24 178.32 3hiv n ILE 27 N -4.20 0.00 -2.22 2.25 -5.35 -0.91 -5.00 119.36 103.93 3hiv n ILE 27 Ca 0.03 -0.21 -0.33 0.00 -0.27 0.00 0.00 62.75 61.97 3hiv n ILE 27 Cb 0.34 0.59 -0.01 0.00 -1.74 0.00 0.00 39.64 38.83 3hiv n ILE 27 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 3hiv s LYS 28 N -3.14 3.52 -0.41 6.28 -2.85 -0.61 -1.02 119.74 121.51 3hiv s LYS 28 Ca 0.01 1.22 -0.22 0.00 -1.00 0.00 0.00 55.97 55.98 3hiv s LYS 28 Cb 0.15 -2.06 0.02 0.00 -2.06 0.00 0.00 37.83 33.87 3hiv s LYS 28 CO 0.85 -0.65 0.74 0.34 0.10 0.00 0.00 175.35 176.73 3hiv s ASP 29 N -2.59 6.43 0.16 0.03 -1.08 0.36 -4.43 116.67 115.55 3hiv s ASP 29 Ca 0.64 0.01 0.16 0.00 -0.52 0.00 0.00 52.55 52.84 3hiv s ASP 29 Cb -0.15 -2.37 0.74 0.00 -1.46 0.00 0.00 42.92 39.68 3hiv s ASP 29 CO 0.31 -0.79 1.49 -0.81 0.52 0.00 0.00 175.17 175.89 3hiv n PRO 30 N 6.46 0.09 -0.04 4.34 -0.04 -1.26 -2.00 135.00 142.55 3hiv n PRO 30 Ca 0.01 0.45 0.07 0.00 -0.04 0.00 0.00 63.50 64.00 3hiv n PRO 30 Cb 0.48 -1.73 0.09 0.00 -0.04 0.00 0.00 33.50 32.30 3hiv n PRO 30 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3hiv n ASN 31 N -1.92 2.42 -4.75 3.54 4.13 -1.26 -5.01 115.26 112.42 3hiv n ASN 31 Ca 0.01 -1.69 -0.35 0.00 1.68 0.00 0.00 54.58 54.23 3hiv n ASN 31 Cb 0.12 -0.05 -0.08 0.00 -1.54 0.00 0.00 39.78 38.23 3hiv n ASN 31 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3hiv s LEU 32 N -1.21 4.14 -0.04 3.41 2.96 -0.85 -5.09 118.68 122.02 3hiv s LEU 32 Ca 0.20 0.26 -0.05 0.00 -0.22 0.00 0.00 54.13 54.32 3hiv s LEU 32 Cb 0.13 -2.04 0.01 0.00 0.50 0.00 0.00 46.19 44.79 3hiv s LEU 32 CO 0.19 0.25 0.13 -1.00 -1.32 0.00 0.00 176.35 174.61 3hiv s HIS 33 N -0.09 -0.10 -0.08 5.38 3.76 -1.26 -4.08 115.29 118.82 3hiv s HIS 33 Ca 0.09 0.23 -0.03 0.00 -0.15 0.00 0.00 55.06 55.21 3hiv s HIS 33 Cb -0.12 0.02 -0.04 0.00 1.11 0.00 0.00 32.58 33.56 3hiv s HIS 33 CO 0.00 -0.12 0.04 0.71 -0.85 0.00 0.00 174.74 174.52 3hiv s TYR 34 N -0.29 3.25 -0.34 1.40 2.02 -1.26 -4.72 117.35 117.41 3hiv s TYR 34 Ca -0.04 0.25 0.00 0.00 -0.37 0.00 0.00 57.07 56.92 3hiv s TYR 34 Cb -0.03 -1.81 0.00 0.00 -0.40 0.00 0.00 41.96 39.73 3hiv s TYR 34 CO 0.00 0.53 0.00 0.41 -1.57 0.00 0.00 175.55 174.92 3hiv n GLY 35 N 1.98 0.58 1.94 0.71 0.00 -1.01 -1.77 105.19 107.61 3hiv n GLY 35 Ca -0.18 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3hiv n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hiv n GLY 36 N -1.65 0.45 3.99 -0.02 0.00 -1.26 -0.34 105.19 106.37 3hiv n GLY 36 Ca -0.03 -0.56 -0.20 0.00 0.00 0.00 0.00 46.02 45.22 3hiv n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hiv s THR 37 N -2.00 2.59 -0.76 2.61 -4.23 -0.73 -4.65 115.64 108.47 3hiv s THR 37 Ca 0.00 -0.76 0.16 0.00 -1.18 0.00 0.00 61.69 59.91 3hiv s THR 37 Cb 0.00 -2.83 0.57 0.00 1.34 0.00 0.00 72.50 71.57 3hiv s THR 37 CO 0.00 0.00 1.48 -0.46 -0.54 0.00 0.00 174.62 175.10 3hiv n ASN 38 N -2.31 4.09 -4.80 3.99 0.23 -1.26 -4.54 115.26 110.66 3hiv n ASN 38 Ca 0.10 -2.52 -0.37 0.00 -0.53 0.00 0.00 54.58 51.25 3hiv n ASN 38 Cb 0.60 -0.49 -0.06 0.00 -2.08 0.00 0.00 39.78 37.75 3hiv n ASN 38 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 3hiv s LEU 39 N -1.96 4.44 0.54 -4.53 1.43 -1.26 -5.04 118.68 112.30 3hiv s LEU 39 Ca 0.42 1.53 -0.21 0.00 -1.03 0.00 0.00 54.13 54.83 3hiv s LEU 39 Cb 0.28 -3.49 -0.06 0.00 0.03 0.00 0.00 46.19 42.95 3hiv s LEU 39 CO 0.17 0.10 1.24 -2.65 0.23 0.00 0.00 176.35 175.45 3hiv n PRO 40 N 1.06 1.51 -4.36 1.29 -0.02 -1.26 -4.61 135.00 128.60 3hiv n PRO 40 Ca -0.03 0.56 -0.20 0.00 -2.02 0.00 0.00 63.50 61.81 3hiv n PRO 40 Cb 0.50 -2.44 -0.15 0.00 -0.02 0.00 0.00 33.50 31.39 3hiv n PRO 40 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hiv s VAL 41 N -1.33 0.73 0.27 -1.45 1.01 -1.26 -0.69 120.40 117.69 3hiv s VAL 41 Ca 0.71 -0.35 -0.31 0.00 0.00 0.00 0.00 61.98 62.04 3hiv s VAL 41 Cb -0.43 -0.65 -0.12 0.00 0.00 0.00 0.00 36.38 35.18 3hiv s VAL 41 CO 0.50 0.23 1.56 -0.38 0.00 0.00 0.00 175.10 177.01 3hiv n ILE 42 N 3.19 0.87 -2.04 2.22 5.41 0.43 -0.49 119.36 128.95 3hiv n ILE 42 Ca -0.17 -0.22 -0.41 0.00 1.00 0.00 0.00 62.75 62.95 3hiv n ILE 42 Cb 0.55 -1.83 -0.02 0.00 -0.71 0.00 0.00 39.64 37.63 3hiv n ILE 42 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 3hiv s LYS 43 N -0.27 4.29 -0.11 0.38 2.20 -0.19 -4.36 119.74 121.68 3hiv s LYS 43 Ca 0.67 2.29 0.02 0.00 -0.36 0.00 0.00 55.97 58.58 3hiv s LYS 43 Cb -0.54 -3.09 0.01 0.00 -1.51 0.00 0.00 37.83 32.71 3hiv s LYS 43 CO 0.47 -0.34 -0.16 0.50 -0.36 0.00 0.00 175.35 175.46 3hiv s ARG 44 N -1.04 2.26 0.25 4.03 3.52 -1.26 -2.50 118.95 124.21 3hiv s ARG 44 Ca 0.55 -0.58 -0.30 0.00 -0.13 0.00 0.00 55.73 55.27 3hiv s ARG 44 Cb -0.41 -1.92 -0.09 0.00 -1.56 0.00 0.00 34.95 30.96 3hiv s ARG 44 CO 0.48 -0.06 0.99 -1.25 -0.81 0.00 0.00 175.30 174.65 3hiv s PRO 45 N 0.98 4.78 0.26 5.12 0.04 -1.26 -5.10 135.00 139.83 3hiv s PRO 45 Ca -0.06 1.59 0.10 0.00 0.04 0.00 0.00 61.00 62.67 3hiv s PRO 45 Cb -0.15 -3.24 0.31 0.00 0.04 0.00 0.00 34.50 31.46 3hiv s PRO 45 CO -0.02 0.41 1.58 -0.24 0.04 0.00 0.00 177.00 178.78 3hiv h VAL 46 N 3.12 1.46 -1.18 -0.36 3.04 -1.86 -3.47 116.25 117.00 3hiv h VAL 46 Ca -0.46 -2.20 0.00 0.00 -1.01 0.00 0.00 66.70 63.03 3hiv h VAL 46 Cb 1.20 2.18 0.00 0.00 -2.01 0.00 0.00 31.29 32.67 3hiv h VAL 46 CO 0.68 0.63 0.00 0.61 -1.01 0.00 0.00 177.57 178.48 3hiv n GLY 47 N 0.33 5.69 3.68 3.17 0.00 -1.26 -4.83 105.19 111.97 3hiv n GLY 47 Ca -0.01 -1.50 -0.31 0.00 0.00 0.00 0.00 46.02 44.20 3hiv n GLY 47 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hiv s PRO 48 N 1.21 1.13 0.77 1.61 0.04 -1.26 -5.01 135.00 133.49 3hiv s PRO 48 Ca 0.00 1.51 -0.12 0.00 0.04 0.00 0.00 61.00 62.43 3hiv s PRO 48 Cb 0.00 -1.74 0.05 0.00 0.04 0.00 0.00 34.50 32.85 3hiv s PRO 48 CO 0.00 -2.54 1.11 -1.25 0.04 0.00 0.00 177.00 174.35 3hiv s PRO 49 N -4.68 2.30 0.25 0.56 0.04 -1.26 -5.09 135.00 127.13 3hiv s PRO 49 Ca 0.66 0.50 0.17 0.00 0.04 0.00 0.00 61.00 62.38 3hiv s PRO 49 Cb -0.22 -1.95 0.06 0.00 0.04 0.00 0.00 34.50 32.42 3hiv s PRO 49 CO 0.58 -1.44 1.31 -0.22 0.04 0.00 0.00 177.00 177.27 3hiv h LYS 50 N -0.95 0.00 -5.48 4.56 3.64 -1.96 -3.46 116.57 112.92 3hiv h LYS 50 Ca -0.46 0.00 -0.43 0.00 -1.27 0.00 0.00 60.65 58.49 3hiv h LYS 50 Cb 1.27 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 32.92 3hiv h LYS 50 CO 0.62 0.35 -0.75 -0.06 -2.27 0.00 0.00 179.45 177.33 3hiv s PHE 51 N -3.02 1.49 0.36 1.91 0.40 -1.26 -0.68 117.98 117.18 3hiv s PHE 51 Ca 0.03 -0.57 0.05 0.00 -0.60 0.00 0.00 56.93 55.84 3hiv s PHE 51 Cb 0.08 -0.76 -0.07 0.00 0.51 0.00 0.00 43.02 42.78 3hiv s PHE 51 CO 0.75 0.20 0.04 -0.48 0.70 0.00 0.00 175.22 176.43 3hiv s LEU 52 N -2.69 2.45 -0.18 -0.37 0.05 0.11 -4.74 118.68 113.32 3hiv s LEU 52 Ca 0.13 -1.38 -0.05 0.00 0.05 0.00 0.00 54.13 52.88 3hiv s LEU 52 Cb -0.04 -0.59 -0.03 0.00 -2.05 0.00 0.00 46.19 43.49 3hiv s LEU 52 CO 0.04 -0.55 -0.01 -0.60 -0.55 0.00 0.00 176.35 174.68 3hiv s ARG 53 N -3.82 3.68 -0.19 1.48 3.52 0.16 -1.19 118.95 122.59 3hiv s ARG 53 Ca 0.36 -0.50 -0.08 0.00 -0.13 0.00 0.00 55.73 55.37 3hiv s ARG 53 Cb 0.09 -3.02 -0.04 0.00 -1.56 0.00 0.00 34.95 30.42 3hiv s ARG 53 CO 0.16 0.15 0.08 0.08 -0.81 0.00 0.00 175.30 174.96 3hiv s VAL 54 N 0.64 4.89 -0.18 7.11 1.01 -0.73 -0.61 120.40 132.52 3hiv s VAL 54 Ca -0.01 0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.89 3hiv s VAL 54 Cb -0.14 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.97 3hiv s VAL 54 CO 0.02 0.44 0.11 0.20 0.00 0.00 0.00 175.10 175.87 3hiv s ASN 55 N 0.53 6.07 -0.29 3.32 0.01 0.13 -0.47 114.94 124.24 3hiv s ASN 55 Ca 0.04 0.23 -0.04 0.00 -0.71 0.00 0.00 52.86 52.38 3hiv s ASN 55 Cb -0.13 -2.04 0.03 0.00 0.41 0.00 0.00 41.25 39.52 3hiv s ASN 55 CO 0.01 0.22 0.03 -0.76 -1.51 0.00 0.00 177.10 175.09 3hiv s LEU 56 N 0.09 3.74 -0.29 0.60 1.43 0.14 -0.72 118.68 123.67 3hiv s LEU 56 Ca 0.08 -0.93 -0.08 0.00 -1.03 0.00 0.00 54.13 52.18 3hiv s LEU 56 Cb -0.11 -1.78 -0.00 0.00 0.03 0.00 0.00 46.19 44.32 3hiv s LEU 56 CO -0.00 -0.21 0.09 -0.54 0.23 0.00 0.00 176.35 175.92 3hiv s LYS 57 N 1.39 3.27 0.35 1.70 1.02 -0.76 -1.21 119.74 125.50 3hiv s LYS 57 Ca -0.00 -0.74 0.08 0.00 0.02 0.00 0.00 55.97 55.33 3hiv s LYS 57 Cb -0.18 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.69 3hiv s LYS 57 CO -0.00 -0.38 0.18 0.00 -0.92 0.00 0.00 175.35 174.23 3hiv s ALA 58 N 1.55 3.59 0.42 5.17 0.00 -0.17 -0.66 121.76 131.66 3hiv s ALA 58 Ca 0.04 -1.81 0.10 0.00 0.00 0.00 0.00 51.96 50.29 3hiv s ALA 58 Cb -0.17 -0.81 0.93 0.00 0.00 0.00 0.00 23.12 23.08 3hiv s ALA 58 CO 0.03 0.01 2.02 0.66 0.00 0.00 0.00 175.76 178.49 3hiv h SER 59 N 1.46 0.43 0.09 0.00 4.64 -1.98 -1.92 113.55 116.27 3hiv h SER 59 Ca -0.44 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.81 3hiv h SER 59 Cb 1.25 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 3hiv h SER 59 CO 0.62 0.29 -0.24 0.74 -0.87 0.00 0.00 176.83 177.37 3hiv h THR 60 N 0.49 1.23 0.00 2.95 2.02 -1.96 -3.49 112.91 114.16 3hiv h THR 60 Ca 0.21 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.30 3hiv h THR 60 Cb 0.20 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 3hiv h THR 60 CO -0.05 0.33 0.00 0.61 0.37 0.00 0.00 175.52 176.78 3hiv n GLY 61 N -0.59 -2.35 3.34 2.16 0.00 -0.72 -5.00 105.19 102.04 3hiv n GLY 61 Ca -0.01 -1.27 -0.33 0.00 0.00 0.00 0.00 46.02 44.41 3hiv n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hiv s THR 62 N -2.33 2.74 -0.12 2.61 2.01 -1.26 -1.00 115.64 118.29 3hiv s THR 62 Ca 0.00 -0.79 -0.04 0.00 0.31 0.00 0.00 61.69 61.17 3hiv s THR 62 Cb 0.00 -2.11 -0.03 0.00 0.01 0.00 0.00 72.50 70.37 3hiv s THR 62 CO 0.00 0.55 0.02 -0.69 -0.69 0.00 0.00 174.62 173.81 3hiv s VAL 63 N 0.13 4.47 0.22 3.82 1.01 -0.35 -4.69 120.40 125.01 3hiv s VAL 63 Ca -0.09 -0.17 0.11 0.00 0.00 0.00 0.00 61.98 61.83 3hiv s VAL 63 Cb -0.15 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 3hiv s VAL 63 CO 0.05 0.56 -0.16 -0.44 0.00 0.00 0.00 175.10 175.11 3hiv s SER 64 N -0.46 3.83 0.15 3.32 0.01 -0.62 0.24 113.70 120.18 3hiv s SER 64 Ca 0.09 -0.79 0.07 0.00 1.31 0.00 0.00 55.95 56.62 3hiv s SER 64 Cb -0.12 -0.47 -0.04 0.00 0.21 0.00 0.00 66.02 65.60 3hiv s SER 64 CO 0.02 0.08 -0.16 -0.76 0.41 0.00 0.00 173.24 172.84 3hiv s LEU 65 N -3.02 2.43 -0.29 2.44 1.43 0.38 -0.29 118.68 121.77 3hiv s LEU 65 Ca 0.25 -0.85 -0.07 0.00 -1.03 0.00 0.00 54.13 52.43 3hiv s LEU 65 Cb -0.07 -0.68 0.00 0.00 0.03 0.00 0.00 46.19 45.47 3hiv s LEU 65 CO 0.14 -0.10 0.09 0.00 0.23 0.00 0.00 176.35 176.70 3hiv s ALA 66 N -2.18 3.10 -0.20 4.21 0.00 -0.39 -1.78 121.76 124.52 3hiv s ALA 66 Ca 0.13 -1.39 -0.02 0.00 0.00 0.00 0.00 51.96 50.68 3hiv s ALA 66 Cb -0.05 -2.16 -0.00 0.00 0.00 0.00 0.00 23.12 20.91 3hiv s ALA 66 CO 0.05 -0.84 -0.09 0.08 0.00 0.00 0.00 175.76 174.95 3hiv s VAL 67 N 1.53 3.02 0.15 0.00 1.01 -0.33 -0.24 120.40 125.54 3hiv s VAL 67 Ca 0.04 -0.62 -0.31 0.00 0.00 0.00 0.00 61.98 61.08 3hiv s VAL 67 Cb -0.17 -2.34 -0.09 0.00 0.00 0.00 0.00 36.38 33.78 3hiv s VAL 67 CO 0.03 0.46 1.50 -1.58 0.00 0.00 0.00 175.10 175.51 3hiv s GLN 68 N 1.30 4.26 0.11 2.72 0.74 0.97 -0.71 119.66 129.05 3hiv s GLN 68 Ca 0.04 2.25 0.04 0.00 0.05 0.00 0.00 55.36 57.74 3hiv s GLN 68 Cb -0.14 -3.19 -0.23 0.00 1.10 0.00 0.00 33.01 30.56 3hiv s GLN 68 CO -0.05 -0.54 1.25 0.00 -0.55 0.00 0.00 175.29 175.40 3hiv h ARG 69 N 6.74 0.07 0.00 1.67 3.08 -1.23 0.85 114.38 125.55 3hiv h ARG 69 Ca -0.43 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.50 3hiv h ARG 69 Cb 1.21 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.30 3hiv h ARG 69 CO 0.89 1.06 0.00 0.66 -1.07 0.00 0.00 179.97 181.51 3hiv h SER 70 N 0.02 0.00 0.00 7.04 4.64 -1.92 -3.37 113.55 119.96 3hiv h SER 70 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3hiv h SER 70 Cb 1.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.91 3hiv h SER 70 CO 0.15 0.00 -0.07 -0.46 -0.87 0.00 0.00 176.83 175.58 3hiv n ASN 71 N -2.88 0.00 -1.92 4.97 2.04 -1.22 -4.69 115.26 111.56 3hiv n ASN 71 Ca 0.01 -1.13 -0.18 0.00 -0.44 0.00 0.00 54.58 52.83 3hiv n ASN 71 Cb 0.27 -0.03 -0.05 0.00 -2.53 0.00 0.00 39.78 37.44 3hiv n ASN 71 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 3hiv n LEU 72 N 0.00 -1.48 -4.72 -4.53 4.77 0.29 -4.95 117.00 106.38 3hiv n LEU 72 Ca 0.00 0.27 -0.42 0.00 -0.03 0.00 0.00 56.01 55.83 3hiv n LEU 72 Cb 0.53 -2.61 -0.03 0.00 -2.33 0.00 0.00 43.42 38.98 3hiv n LEU 72 CO 0.00 -0.61 0.83 -0.31 -1.33 0.00 0.00 177.39 175.97 3hiv s TYR 73 N -2.70 3.51 -0.07 -1.77 2.02 -1.24 -4.61 117.35 112.50 3hiv s TYR 73 Ca 0.00 1.43 -0.30 0.00 -0.37 0.00 0.00 57.07 57.83 3hiv s TYR 73 Cb 0.00 -3.34 -0.03 0.00 -0.40 0.00 0.00 41.96 38.20 3hiv s TYR 73 CO 0.00 -0.92 1.11 0.08 -1.57 0.00 0.00 175.55 174.25 3hiv s VAL 74 N 0.80 4.48 -0.13 0.71 1.01 -1.26 -0.02 120.40 125.99 3hiv s VAL 74 Ca 0.56 1.78 0.13 0.00 0.00 0.00 0.00 61.98 64.44 3hiv s VAL 74 Cb -0.28 -4.14 -0.18 0.00 0.00 0.00 0.00 36.38 31.78 3hiv s VAL 74 CO 0.30 0.01 0.08 0.00 0.00 0.00 0.00 175.10 175.49 3hiv n ALA 75 N 5.02 1.76 -3.52 5.51 0.00 0.67 -4.95 120.51 125.00 3hiv n ALA 75 Ca 0.10 -0.86 -0.09 0.00 0.00 0.00 0.00 53.44 52.59 3hiv n ALA 75 Cb 0.47 -0.10 -0.02 0.00 0.00 0.00 0.00 19.45 19.80 3hiv n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hiv s ALA 76 N -2.42 -1.85 0.10 0.00 0.00 -1.24 -1.86 121.76 114.50 3hiv s ALA 76 Ca -0.07 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.01 3hiv s ALA 76 Cb 0.05 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 3hiv s ALA 76 CO 0.58 -0.63 -0.02 1.52 0.00 0.00 0.00 175.76 177.21 3hiv s TYR 77 N -2.82 0.82 -0.13 0.00 1.13 -0.03 -1.26 117.35 115.06 3hiv s TYR 77 Ca 0.04 -1.05 -0.00 0.00 -1.41 0.00 0.00 57.07 54.65 3hiv s TYR 77 Cb -0.01 -0.50 0.03 0.00 -1.10 0.00 0.00 41.96 40.38 3hiv s TYR 77 CO -0.07 -0.31 -0.09 -1.17 -2.51 0.00 0.00 175.55 171.39 3hiv s LEU 78 N -3.03 1.42 0.02 -3.49 2.96 0.60 -1.02 118.68 116.16 3hiv s LEU 78 Ca 0.15 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.64 3hiv s LEU 78 Cb 0.07 -0.96 -0.02 0.00 0.50 0.00 0.00 46.19 45.78 3hiv s LEU 78 CO -0.04 -0.11 -0.04 0.00 -1.32 0.00 0.00 176.35 174.84 3hiv s ALA 79 N 1.63 0.27 0.17 5.97 0.00 -0.93 -1.58 121.76 127.28 3hiv s ALA 79 Ca 0.04 -0.59 -0.30 0.00 0.00 0.00 0.00 51.96 51.11 3hiv s ALA 79 Cb -0.13 0.09 -0.08 0.00 0.00 0.00 0.00 23.12 23.00 3hiv s ALA 79 CO -0.09 -0.09 1.34 0.15 0.00 0.00 0.00 175.76 177.07 3hiv s LYS 80 N -1.33 4.36 0.08 0.00 1.02 -1.26 -2.14 119.74 120.46 3hiv s LYS 80 Ca -0.12 2.07 -0.01 0.00 0.02 0.00 0.00 55.97 57.93 3hiv s LYS 80 Cb -0.09 -3.21 0.02 0.00 -0.52 0.00 0.00 37.83 34.03 3hiv s LYS 80 CO -0.00 -0.33 0.10 0.27 -0.92 0.00 0.00 175.35 174.47 3hiv n ASN 81 N 3.08 -0.01 0.15 2.83 0.23 0.13 -0.94 115.26 120.73 3hiv n ASN 81 Ca 0.08 -1.03 0.13 0.00 -0.53 0.00 0.00 54.58 53.23 3hiv n ASN 81 Cb 0.42 -0.08 0.50 0.00 -2.08 0.00 0.00 39.78 38.54 3hiv n ASN 81 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 3hiv h ASN 82 N -0.15 0.00 -0.42 0.53 -1.07 -1.65 -3.02 115.58 109.79 3hiv h ASN 82 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.34 3hiv h ASN 82 Cb 0.09 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.34 3hiv h ASN 82 CO 0.02 0.00 0.00 0.59 0.07 0.00 0.00 177.43 178.11 3hiv n ASN 83 N -2.40 2.47 -2.61 6.14 5.03 -1.26 -4.91 115.26 117.73 3hiv n ASN 83 Ca 0.03 -2.06 -0.21 0.00 0.87 0.00 0.00 54.58 53.20 3hiv n ASN 83 Cb 0.28 -0.32 0.01 0.00 -1.02 0.00 0.00 39.78 38.73 3hiv n ASN 83 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 3hiv n LYS 84 N 0.73 -2.81 -4.40 3.52 3.00 -1.14 -5.01 118.16 112.06 3hiv n LYS 84 Ca 0.15 0.98 -0.32 0.00 -0.00 0.00 0.00 58.31 59.11 3hiv n LYS 84 Cb 0.41 -5.72 -0.10 0.00 0.00 0.00 0.00 35.03 29.63 3hiv n LYS 84 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 3hiv s GLN 85 N -5.27 2.66 0.26 1.64 -0.21 -1.26 -4.91 119.66 112.57 3hiv s GLN 85 Ca 0.11 -0.66 -0.25 0.00 0.02 0.00 0.00 55.36 54.57 3hiv s GLN 85 Cb -0.05 -2.58 -0.09 0.00 1.00 0.00 0.00 33.01 31.29 3hiv s GLN 85 CO 0.13 0.62 0.87 -0.06 -2.12 0.00 0.00 175.29 174.73 3hiv s PHE 86 N -1.02 3.77 -0.03 0.91 0.08 -1.26 0.18 117.98 120.62 3hiv s PHE 86 Ca 0.18 1.70 -0.05 0.00 0.12 0.00 0.00 56.93 58.88 3hiv s PHE 86 Cb -0.11 -2.85 0.01 0.00 -0.57 0.00 0.00 43.02 39.50 3hiv s PHE 86 CO 0.08 0.33 0.12 0.50 -0.10 0.00 0.00 175.22 176.15 3hiv s ARG 87 N -1.75 0.28 -0.09 0.44 3.52 -0.91 -4.86 118.95 115.58 3hiv s ARG 87 Ca 0.45 -0.07 -0.03 0.00 -0.13 0.00 0.00 55.73 55.95 3hiv s ARG 87 Cb -0.20 0.12 -0.03 0.00 -1.56 0.00 0.00 34.95 33.28 3hiv s ARG 87 CO 0.25 -0.05 0.03 0.00 -0.81 0.00 0.00 175.30 174.72 3hiv s ALA 88 N -0.54 3.41 -0.05 6.12 0.00 -0.14 -2.20 121.76 128.35 3hiv s ALA 88 Ca -0.06 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.14 3hiv s ALA 88 Cb -0.04 -1.58 0.01 0.00 0.00 0.00 0.00 23.12 21.51 3hiv s ALA 88 CO 0.01 0.60 -0.11 0.71 0.00 0.00 0.00 175.76 176.96 3hiv s TYR 89 N -0.93 1.31 0.08 0.00 1.51 -0.19 -0.02 117.35 119.12 3hiv s TYR 89 Ca 0.14 -0.44 0.08 0.00 -1.01 0.00 0.00 57.07 55.84 3hiv s TYR 89 Cb -0.11 -0.96 -0.03 0.00 -0.11 0.00 0.00 41.96 40.74 3hiv s TYR 89 CO 0.03 -0.23 -0.20 1.52 -1.11 0.00 0.00 175.55 175.56 3hiv s TYR 90 N 0.56 1.72 0.48 2.71 1.13 -0.17 -0.85 117.35 122.93 3hiv s TYR 90 Ca -0.12 -0.41 -0.24 0.00 -1.41 0.00 0.00 57.07 54.90 3hiv s TYR 90 Cb -0.14 -0.96 -0.07 0.00 -1.10 0.00 0.00 41.96 39.69 3hiv s TYR 90 CO 0.03 0.16 1.38 -0.06 -2.51 0.00 0.00 175.55 174.55 3hiv s PHE 91 N -1.08 2.44 0.01 -3.49 0.08 -0.78 -0.69 117.98 114.47 3hiv s PHE 91 Ca 0.06 1.33 -0.30 0.00 0.12 0.00 0.00 56.93 58.14 3hiv s PHE 91 Cb -0.10 -3.83 -0.08 0.00 -0.57 0.00 0.00 43.02 38.44 3hiv s PHE 91 CO 0.03 -2.80 1.99 0.21 -0.10 0.00 0.00 175.22 174.55 3hiv s LYS 92 N -2.61 4.04 0.00 0.44 2.20 -0.03 -2.19 119.74 121.59 3hiv s LYS 92 Ca 0.65 2.55 0.00 0.00 -0.36 0.00 0.00 55.97 58.80 3hiv s LYS 92 Cb -0.41 -4.18 0.00 0.00 -1.51 0.00 0.00 37.83 31.73 3hiv s LYS 92 CO 0.52 -1.07 0.00 0.41 -0.36 0.00 0.00 175.35 174.85 3hiv n GLY 93 N 4.65 0.60 3.75 5.54 0.00 -1.26 -4.48 105.19 113.99 3hiv n GLY 93 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 3hiv n GLY 93 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hiv s PHE 94 N -2.40 3.33 -1.08 1.61 2.19 -0.93 -4.91 117.98 115.79 3hiv s PHE 94 Ca 0.00 1.39 -0.15 0.00 0.33 0.00 0.00 56.93 58.49 3hiv s PHE 94 Cb 0.00 -3.51 -0.07 0.00 -1.31 0.00 0.00 43.02 38.12 3hiv s PHE 94 CO 0.00 -1.46 2.15 1.04 1.83 0.00 0.00 175.22 178.79 3hiv n GLN 95 N 2.11 2.23 -4.71 10.12 1.13 -1.26 -4.82 117.38 122.18 3hiv n GLN 95 Ca 0.04 -2.03 -0.25 0.00 -1.94 0.00 0.00 57.00 52.82 3hiv n GLN 95 Cb 0.44 -2.93 -0.14 0.00 0.11 0.00 0.00 30.24 27.71 3hiv n GLN 95 CO 0.00 0.00 0.00 -1.50 -1.44 0.00 0.00 177.06 174.12 3hiv s ILE 96 N 3.90 1.58 0.23 5.09 2.07 -1.26 -5.16 121.20 127.65 3hiv s ILE 96 Ca 0.52 -1.08 0.07 0.00 -1.41 0.00 0.00 60.65 58.76 3hiv s ILE 96 Cb 0.14 -1.36 -0.04 0.00 0.13 0.00 0.00 42.46 41.33 3hiv s ILE 96 CO 0.01 0.25 0.17 0.42 -1.91 0.00 0.00 174.94 173.88 3hiv s THR 97 N -0.70 4.36 0.30 4.00 -4.23 -1.26 -5.01 115.64 113.10 3hiv s THR 97 Ca 0.07 -1.38 0.06 0.00 -1.18 0.00 0.00 61.69 59.26 3hiv s THR 97 Cb -0.08 -3.33 0.30 0.00 1.34 0.00 0.00 72.50 70.72 3hiv s THR 97 CO 0.01 -0.30 1.73 0.74 -0.54 0.00 0.00 174.62 176.26 3hiv h THR 98 N 1.65 0.58 -0.60 3.99 2.02 -2.00 -1.52 112.91 117.03 3hiv h THR 98 Ca -0.48 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 3hiv h THR 98 Cb 1.23 -0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 3hiv h THR 98 CO 0.61 0.11 0.32 0.78 0.37 0.00 0.00 175.52 177.71 3hiv h ASN 99 N 0.58 0.75 -0.64 4.18 2.35 -2.00 -1.93 115.58 118.87 3hiv h ASN 99 Ca 0.59 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 56.19 3hiv h ASN 99 Cb 1.05 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 39.21 3hiv h ASN 99 CO -0.46 0.64 0.19 1.56 -1.65 0.00 0.00 177.43 177.71 3hiv h GLN 100 N 0.81 1.01 -0.28 0.81 4.20 -1.71 -2.71 115.11 117.24 3hiv h GLN 100 Ca 0.21 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 3hiv h GLN 100 Cb 0.06 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 3hiv h GLN 100 CO -0.03 0.89 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.87 3hiv h LEU 101 N 0.93 0.43 -0.56 1.46 3.38 -1.16 -1.04 115.31 118.75 3hiv h LEU 101 Ca 0.21 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 3hiv h LEU 101 Cb 0.31 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3hiv h LEU 101 CO -0.00 0.56 -0.08 0.78 0.09 0.00 0.00 178.44 179.78 3hiv h ASN 102 N 0.43 1.05 0.34 -0.43 2.35 -1.17 0.16 115.58 118.30 3hiv h ASN 102 Ca 0.09 -0.34 -0.02 0.00 -0.55 0.00 0.00 56.30 55.48 3hiv h ASN 102 Cb 0.41 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.50 3hiv h ASN 102 CO 0.02 1.14 -0.16 0.78 -1.65 0.00 0.00 177.43 177.56 3hiv h ASN 103 N 0.94 -0.38 -0.47 5.81 4.21 -1.19 -2.86 115.58 121.63 3hiv h ASN 103 Ca 0.15 -0.03 -0.06 0.00 1.21 0.00 0.00 56.30 57.57 3hiv h ASN 103 Cb 0.66 0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 37.94 3hiv h ASN 103 CO 0.05 -0.22 0.07 -0.07 -1.29 0.00 0.00 177.43 175.96 3hiv h LEU 104 N -0.52 0.76 -6.27 1.61 3.38 -1.12 -3.37 115.31 109.78 3hiv h LEU 104 Ca -0.05 -0.27 -0.59 0.00 0.09 0.00 0.00 57.88 57.07 3hiv h LEU 104 Cb 0.39 -0.20 -0.41 0.00 0.09 0.00 0.00 40.66 40.53 3hiv h LEU 104 CO 0.08 0.84 -0.76 0.49 0.09 0.00 0.00 178.44 179.17 3hiv n PHE 105 N -4.43 2.17 0.19 1.13 3.72 0.55 -4.93 117.46 115.86 3hiv n PHE 105 Ca 0.01 -3.95 0.17 0.00 -0.05 0.00 0.00 57.45 53.63 3hiv n PHE 105 Cb 0.26 -0.45 0.81 0.00 -0.94 0.00 0.00 39.48 39.16 3hiv n PHE 105 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3hiv h PRO 106 N 4.40 0.00 0.00 -1.08 0.13 -1.67 0.45 132.00 134.23 3hiv h PRO 106 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3hiv h PRO 106 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3hiv h PRO 106 CO 0.68 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.84 3hiv n GLU 107 N -3.83 0.01 -3.19 0.86 4.71 -1.26 -3.35 120.64 114.59 3hiv n GLU 107 Ca 0.02 0.25 -0.24 0.00 -0.01 0.00 0.00 57.16 57.18 3hiv n GLU 107 Cb 0.35 -1.53 -0.06 0.00 -1.01 0.00 0.00 31.44 29.20 3hiv n GLU 107 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3hiv n ALA 108 N -1.52 3.12 -1.90 0.62 0.00 0.15 -4.68 120.51 116.29 3hiv n ALA 108 Ca 0.04 -3.96 -0.39 0.00 0.00 0.00 0.00 53.44 49.13 3hiv n ALA 108 Cb 0.18 -0.85 -0.06 0.00 0.00 0.00 0.00 19.45 18.73 3hiv n ALA 108 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hiv s THR 109 N -2.45 4.29 0.00 0.00 2.01 -1.21 -4.65 115.64 113.63 3hiv s THR 109 Ca 0.40 1.78 0.00 0.00 0.31 0.00 0.00 61.69 64.18 3hiv s THR 109 Cb 0.24 -4.14 0.00 0.00 0.01 0.00 0.00 72.50 68.61 3hiv s THR 109 CO -0.09 0.43 0.00 0.61 -0.69 0.00 0.00 174.62 174.88 3hiv n GLY 110 N 1.31 -1.87 0.50 4.40 0.00 -1.26 -4.21 105.19 104.06 3hiv n GLY 110 Ca -0.03 -1.45 0.32 0.00 0.00 0.00 0.00 46.02 44.86 3hiv n GLY 110 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3hiv h VAL 111 N 0.00 0.47 0.00 1.61 -1.51 -1.91 -1.01 116.25 113.91 3hiv h VAL 111 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3hiv h VAL 111 Cb 0.00 0.48 0.00 0.00 -2.13 0.00 0.00 31.29 29.64 3hiv h VAL 111 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 177.57 176.62 3hiv h SER 112 N 0.00 0.00 -0.41 4.19 0.02 -1.96 -2.65 113.55 112.74 3hiv h SER 112 Ca 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.44 3hiv h SER 112 Cb 1.97 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.51 3hiv h SER 112 CO -0.01 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.27 3hiv n ASN 113 N -2.41 3.21 -3.89 3.07 3.02 -0.39 -4.95 115.26 112.93 3hiv n ASN 113 Ca 0.03 -2.09 -0.30 0.00 -0.03 0.00 0.00 54.58 52.19 3hiv n ASN 113 Cb 0.32 -0.30 -0.16 0.00 -0.61 0.00 0.00 39.78 39.02 3hiv n ASN 113 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3hiv s GLN 114 N -1.17 1.39 -0.20 3.52 -0.21 -1.00 -0.97 119.66 121.02 3hiv s GLN 114 Ca 0.29 -0.93 -0.07 0.00 0.02 0.00 0.00 55.36 54.67 3hiv s GLN 114 Cb 0.16 -2.49 -0.04 0.00 1.00 0.00 0.00 33.01 31.64 3hiv s GLN 114 CO 0.18 -0.65 0.06 -1.14 -2.12 0.00 0.00 175.29 171.62 3hiv s GLN 115 N 1.47 3.89 -0.07 2.91 0.74 0.97 -4.88 119.66 124.68 3hiv s GLN 115 Ca -0.03 -0.38 -0.29 0.00 0.05 0.00 0.00 55.36 54.70 3hiv s GLN 115 Cb -0.18 -3.22 -0.02 0.00 1.10 0.00 0.00 33.01 30.68 3hiv s GLN 115 CO -0.08 0.17 0.98 -2.00 -0.55 0.00 0.00 175.29 173.81 3hiv s GLU 116 N 0.65 4.46 0.79 1.67 2.12 -1.26 -1.00 118.70 126.13 3hiv s GLU 116 Ca 0.03 1.37 -0.11 0.00 0.36 0.00 0.00 54.97 56.62 3hiv s GLU 116 Cb -0.13 -3.51 0.07 0.00 0.26 0.00 0.00 34.13 30.81 3hiv s GLU 116 CO 0.02 -0.22 1.10 -0.51 -0.54 0.00 0.00 175.26 175.11 3hiv s LEU 117 N 1.65 3.02 0.10 2.70 1.43 0.14 -4.89 118.68 122.83 3hiv s LEU 117 Ca 0.49 1.91 0.20 0.00 -1.03 0.00 0.00 54.13 55.69 3hiv s LEU 117 Cb -0.19 -4.53 0.81 0.00 0.03 0.00 0.00 46.19 42.31 3hiv s LEU 117 CO 0.21 -2.22 1.61 0.61 0.23 0.00 0.00 176.35 176.79 3hiv n GLY 118 N -0.90 -1.18 3.37 -3.19 0.00 -1.26 -3.85 105.19 98.18 3hiv n GLY 118 Ca 0.10 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 3hiv n GLY 118 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hiv s TYR 119 N -3.12 1.71 0.60 1.61 1.13 -1.26 -4.92 117.35 113.10 3hiv s TYR 119 Ca 0.07 -0.97 0.09 0.00 -1.41 0.00 0.00 57.07 54.84 3hiv s TYR 119 Cb 0.10 -1.03 0.10 0.00 -1.10 0.00 0.00 41.96 40.03 3hiv s TYR 119 CO 0.35 -0.06 0.83 0.20 -2.51 0.00 0.00 175.55 174.36 3hiv s GLY 120 N -3.37 1.72 0.16 5.49 0.00 -1.26 -0.85 107.32 109.20 3hiv s GLY 120 Ca 0.33 -2.13 0.27 0.00 0.00 0.00 0.00 44.72 43.18 3hiv s GLY 120 CO 0.12 -1.64 1.79 -1.84 0.00 0.00 0.00 173.10 171.53 3hiv n GLU 121 N -2.35 0.20 -1.54 2.90 0.00 -1.26 -4.10 120.64 114.49 3hiv n GLU 121 Ca 0.16 0.16 -0.32 0.00 0.00 0.00 0.00 57.16 57.16 3hiv n GLU 121 Cb 0.62 -1.73 0.07 0.00 0.00 0.00 0.00 31.44 30.40 3hiv n GLU 121 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 3hiv s SER 122 N -4.15 4.82 0.15 -1.84 1.04 -1.26 -4.86 113.70 107.59 3hiv s SER 122 Ca 0.11 1.95 -0.16 0.00 0.48 0.00 0.00 55.95 58.33 3hiv s SER 122 Cb 0.14 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.73 3hiv s SER 122 CO 0.59 -1.83 1.77 1.88 0.98 0.00 0.00 173.24 176.63 3hiv h TYR 123 N -0.44 0.54 -0.83 5.02 0.05 -1.99 -1.71 116.97 117.60 3hiv h TYR 123 Ca -0.46 -0.01 0.10 0.00 0.05 0.00 0.00 58.73 58.42 3hiv h TYR 123 Cb 1.24 -0.17 -0.08 0.00 1.01 0.00 0.00 36.73 38.73 3hiv h TYR 123 CO 0.55 0.39 0.47 -1.35 -1.05 0.00 0.00 178.16 177.18 3hiv h PRO 124 N 0.53 0.75 -0.07 4.88 0.11 -1.96 0.31 132.00 136.54 3hiv h PRO 124 Ca 0.14 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 3hiv h PRO 124 Cb 0.02 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 30.95 3hiv h PRO 124 CO -0.03 0.50 0.04 1.96 -0.21 0.00 0.00 178.00 180.26 3hiv h GLN 125 N 0.78 0.10 -0.45 1.05 1.08 -1.77 -0.31 115.11 115.59 3hiv h GLN 125 Ca 0.40 -0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.55 3hiv h GLN 125 Cb 0.39 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 3hiv h GLN 125 CO -0.26 0.18 0.10 0.82 -0.95 0.00 0.00 178.83 178.72 3hiv h ILE 126 N 0.00 1.24 -0.58 2.54 2.04 -0.81 -2.55 117.51 119.38 3hiv h ILE 126 Ca 0.02 -0.83 -0.07 0.00 1.00 0.00 0.00 64.86 64.99 3hiv h ILE 126 Cb 0.11 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 3hiv h ILE 126 CO -0.00 0.29 0.10 1.56 0.00 0.00 0.00 178.15 180.10 3hiv h GLN 127 N 0.59 0.93 -0.68 2.37 4.20 -0.32 -0.32 115.11 121.88 3hiv h GLN 127 Ca 0.14 -0.22 0.03 0.00 0.06 0.00 0.00 58.65 58.65 3hiv h GLN 127 Cb 0.33 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 27.94 3hiv h GLN 127 CO 0.00 0.86 0.43 -0.97 -0.67 0.00 0.00 178.83 178.48 3hiv h ASN 128 N 0.88 0.70 0.98 1.46 -1.24 -0.97 0.23 115.58 117.63 3hiv h ASN 128 Ca 0.18 -0.00 -0.09 0.00 0.71 0.00 0.00 56.30 57.10 3hiv h ASN 128 Cb 0.38 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.26 3hiv h ASN 128 CO 0.01 0.49 -0.45 0.00 -1.29 0.00 0.00 177.43 176.18 3hiv h ALA 129 N 1.29 0.88 0.00 1.57 0.00 -1.02 -3.13 119.26 118.86 3hiv h ALA 129 Ca 0.27 -0.41 -0.25 0.00 0.00 0.00 0.00 54.91 54.52 3hiv h ALA 129 Cb 0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3hiv h ALA 129 CO -0.10 0.56 -1.36 0.00 0.00 0.00 0.00 179.25 178.35 3hiv h ALA 130 N 1.55 0.55 0.00 0.00 0.00 -0.82 -3.32 119.26 117.22 3hiv h ALA 130 Ca -0.00 -1.19 0.00 0.00 0.00 0.00 0.00 54.91 53.72 3hiv h ALA 130 Cb 1.07 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3hiv h ALA 130 CO 0.06 1.41 0.00 0.41 0.00 0.00 0.00 179.25 181.13 3hiv n GLY 131 N 1.46 0.59 3.16 0.00 0.00 0.78 -4.86 105.19 106.33 3hiv n GLY 131 Ca -0.09 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.54 3hiv n GLY 131 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hiv s VAL 132 N -2.00 0.11 0.62 1.61 0.11 -1.11 -5.04 120.40 114.70 3hiv s VAL 132 Ca 0.00 -0.89 -0.05 0.00 -2.93 0.00 0.00 61.98 58.12 3hiv s VAL 132 Cb 0.00 -0.84 0.03 0.00 -1.53 0.00 0.00 36.38 34.04 3hiv s VAL 132 CO 0.00 -0.49 0.91 0.42 -3.33 0.00 0.00 175.10 172.61 3hiv s THR 133 N -2.39 2.97 0.22 5.04 -4.23 -1.26 -4.51 115.64 111.49 3hiv s THR 133 Ca -0.07 -0.25 -0.08 0.00 -1.18 0.00 0.00 61.69 60.12 3hiv s THR 133 Cb -0.02 -3.20 0.17 0.00 1.34 0.00 0.00 72.50 70.79 3hiv s THR 133 CO -0.03 -0.20 1.81 0.03 -0.54 0.00 0.00 174.62 175.70 3hiv h ARG 134 N -0.26 0.72 -0.60 3.99 3.08 -1.97 -0.47 114.38 118.86 3hiv h ARG 134 Ca -0.44 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.53 3hiv h ARG 134 Cb 1.29 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 31.15 3hiv h ARG 134 CO 0.59 0.47 0.25 1.96 -1.07 0.00 0.00 179.97 182.17 3hiv h GLN 135 N 0.74 0.89 -0.00 0.04 4.20 -1.94 -2.48 115.11 116.55 3hiv h GLN 135 Ca 0.33 -0.16 -0.21 0.00 0.06 0.00 0.00 58.65 58.67 3hiv h GLN 135 Cb 0.23 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 3hiv h GLN 135 CO -0.20 0.76 -0.91 1.96 -0.67 0.00 0.00 178.83 179.76 3hiv h GLN 136 N 0.83 0.34 -0.09 1.46 4.20 -1.88 -2.54 115.11 117.43 3hiv h GLN 136 Ca 0.20 -0.36 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 3hiv h GLN 136 Cb 0.19 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 3hiv h GLN 136 CO -0.02 1.05 0.06 0.00 -0.67 0.00 0.00 178.83 179.25 3hiv h ALA 137 N 0.82 0.12 0.00 3.87 0.00 -0.96 -3.48 119.26 119.63 3hiv h ALA 137 Ca -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hiv h ALA 137 Cb 1.54 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3hiv h ALA 137 CO 0.15 -0.37 0.00 0.41 0.00 0.00 0.00 179.25 179.44 3hiv n GLY 138 N -1.02 -2.96 3.13 0.00 0.00 -0.95 -5.02 105.19 98.38 3hiv n GLY 138 Ca -0.05 -1.76 -0.08 0.00 0.00 0.00 0.00 46.02 44.13 3hiv n GLY 138 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hiv s LEU 139 N 0.00 1.97 0.00 0.99 1.43 0.88 -4.91 118.68 119.05 3hiv s LEU 139 Ca 0.00 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.33 3hiv s LEU 139 Cb 0.00 0.57 0.00 0.00 0.03 0.00 0.00 46.19 46.79 3hiv s LEU 139 CO 0.00 -0.62 0.00 0.61 0.23 0.00 0.00 176.35 176.57 3hiv n GLY 140 N 0.21 4.37 0.30 -3.19 0.00 -1.26 -0.99 105.19 104.62 3hiv n GLY 140 Ca -0.16 -1.08 -0.05 0.00 0.00 0.00 0.00 46.02 44.73 3hiv n GLY 140 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hiv h ILE 141 N 4.51 1.22 -0.36 -0.61 1.08 -1.93 -2.07 117.51 119.35 3hiv h ILE 141 Ca 0.00 -0.52 -0.05 0.00 -0.39 0.00 0.00 64.86 63.90 3hiv h ILE 141 Cb 0.00 0.24 -0.02 0.00 -3.07 0.00 0.00 36.82 33.98 3hiv h ILE 141 CO 0.00 0.24 0.03 0.11 -0.69 0.00 0.00 178.15 177.83 3hiv h LYS 142 N 1.00 0.55 -0.27 2.37 1.57 -1.93 -0.54 116.57 119.31 3hiv h LYS 142 Ca 0.26 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.81 3hiv h LYS 142 Cb 0.01 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3hiv h LYS 142 CO -0.04 0.56 -0.30 0.87 -0.57 0.00 0.00 179.45 179.96 3hiv h LYS 143 N 0.53 0.55 0.40 3.15 1.57 -1.79 -1.93 116.57 119.05 3hiv h LYS 143 Ca 0.12 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 3hiv h LYS 143 Cb 0.31 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3hiv h LYS 143 CO 0.01 0.79 -0.19 1.25 -0.57 0.00 0.00 179.45 180.74 3hiv h LEU 144 N 0.47 -0.45 -0.74 2.94 5.85 -0.90 -1.62 115.31 120.86 3hiv h LEU 144 Ca 0.06 -0.13 0.17 0.00 0.84 0.00 0.00 57.88 58.82 3hiv h LEU 144 Cb 0.77 0.12 -0.13 0.00 0.37 0.00 0.00 40.66 41.78 3hiv h LEU 144 CO 0.06 -0.07 -0.01 0.00 -0.34 0.00 0.00 178.44 178.09 3hiv h ALA 145 N -0.52 0.75 0.04 1.25 0.00 -1.11 -1.21 119.26 118.46 3hiv h ALA 145 Ca -0.05 0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3hiv h ALA 145 Cb 0.55 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3hiv h ALA 145 CO 0.09 -0.42 -0.02 1.49 0.00 0.00 0.00 179.25 180.39 3hiv h GLU 146 N 0.10 -0.05 -0.38 0.00 4.57 -1.35 -2.73 114.58 114.73 3hiv h GLU 146 Ca 0.40 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.59 3hiv h GLU 146 Cb 0.70 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 3hiv h GLU 146 CO -0.66 0.20 0.25 0.66 -1.18 0.00 0.00 179.01 178.28 3hiv h SER 147 N -0.30 0.43 1.00 1.04 4.64 -0.71 -1.82 113.55 117.83 3hiv h SER 147 Ca -0.01 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3hiv h SER 147 Cb 0.27 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3hiv h SER 147 CO 0.01 0.31 0.00 -0.03 -0.87 0.00 0.00 176.83 176.25 3hiv h MET 148 N 0.51 0.00 0.00 4.77 1.85 -0.95 -2.34 114.93 118.77 3hiv h MET 148 Ca 0.14 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.23 3hiv h MET 148 Cb -0.05 0.00 0.00 0.00 0.43 0.00 0.00 31.60 31.98 3hiv h MET 148 CO -0.03 0.00 0.00 0.25 -0.40 0.00 0.00 176.91 176.73 3hiv n THR 149 N -2.78 0.83 1.22 -0.77 -2.24 -0.68 -1.33 114.28 108.52 3hiv n THR 149 Ca 0.01 0.19 0.13 0.00 -2.27 0.00 0.00 64.05 62.11 3hiv n THR 149 Cb 0.30 -1.07 0.29 0.00 -2.10 0.00 0.00 70.33 67.75 3hiv n THR 149 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hiv n LYS 150 N -2.07 1.27 0.00 -0.78 4.76 -0.88 -4.17 118.16 116.29 3hiv n LYS 150 Ca 0.03 -0.87 0.00 0.00 -2.87 0.00 0.00 58.31 54.60 3hiv n LYS 150 Cb 0.23 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 3hiv n LYS 150 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 3hiv n VAL 151 N -0.11 0.00 -2.85 -0.18 0.24 -0.83 -4.69 118.33 109.92 3hiv n VAL 151 Ca 0.13 -0.09 -0.43 0.00 -2.04 0.00 0.00 64.34 61.91 3hiv n VAL 151 Cb 0.40 0.56 -0.02 0.00 -1.47 0.00 0.00 33.84 33.31 3hiv n VAL 151 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3hiv s ASN 152 N -1.59 6.68 0.00 -1.34 3.04 -0.44 -3.93 114.94 117.36 3hiv s ASN 152 Ca 0.00 -2.10 0.00 0.00 0.04 0.00 0.00 52.86 50.80 3hiv s ASN 152 Cb 0.00 -2.44 0.00 0.00 -1.54 0.00 0.00 41.25 37.27 3hiv s ASN 152 CO 0.00 -1.10 0.00 0.61 -3.04 0.00 0.00 177.10 173.57 3hiv n GLY 153 N 5.53 0.74 3.65 1.21 0.00 -0.11 -4.91 105.19 111.31 3hiv n GLY 153 Ca 0.29 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 3hiv n GLY 153 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hiv s VAL 154 N -2.00 1.88 0.34 1.61 -7.23 -1.22 -3.82 120.40 109.95 3hiv s VAL 154 Ca 0.00 -1.97 -0.28 0.00 -1.81 0.00 0.00 61.98 57.92 3hiv s VAL 154 Cb 0.00 -2.85 -0.10 0.00 0.56 0.00 0.00 36.38 33.99 3hiv s VAL 154 CO 0.00 0.00 1.25 0.00 -0.31 0.00 0.00 175.10 176.04 3hiv s ALA 155 N -2.73 3.40 -0.04 1.32 0.00 -1.26 -3.28 121.76 119.18 3hiv s ALA 155 Ca 0.31 1.16 -0.30 0.00 0.00 0.00 0.00 51.96 53.13 3hiv s ALA 155 Cb 0.08 -3.44 -0.06 0.00 0.00 0.00 0.00 23.12 19.70 3hiv s ALA 155 CO 0.16 -0.57 1.69 0.50 0.00 0.00 0.00 175.76 177.54 3hiv s ARG 156 N -1.86 4.18 -0.16 0.00 3.52 -1.26 -4.93 118.95 118.44 3hiv s ARG 156 Ca 0.50 2.24 -0.01 0.00 -0.13 0.00 0.00 55.73 58.34 3hiv s ARG 156 Cb -0.37 -4.00 -0.01 0.00 -1.56 0.00 0.00 34.95 29.01 3hiv s ARG 156 CO 0.49 -0.86 -0.11 0.08 -0.81 0.00 0.00 175.30 174.09 3hiv s VAL 157 N 4.05 3.04 0.16 7.11 1.01 -1.26 -5.05 120.40 129.45 3hiv s VAL 157 Ca 0.75 -0.64 -0.16 0.00 0.00 0.00 0.00 61.98 61.93 3hiv s VAL 157 Cb -0.35 -2.31 0.04 0.00 0.00 0.00 0.00 36.38 33.76 3hiv s VAL 157 CO 0.31 0.50 1.73 -0.08 0.00 0.00 0.00 175.10 177.56 3hiv h GLU 158 N 7.19 0.18 -0.16 2.72 4.81 -1.94 -1.01 114.58 126.37 3hiv h GLU 158 Ca -0.32 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3hiv h GLU 158 Cb 1.19 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 3hiv h GLU 158 CO 0.58 0.12 0.10 -0.22 -0.73 0.00 0.00 179.01 178.86 3hiv h LYS 159 N 0.18 0.20 -0.33 1.92 3.64 -1.92 0.88 116.57 121.15 3hiv h LYS 159 Ca 0.17 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 3hiv h LYS 159 Cb 0.20 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3hiv h LYS 159 CO -0.23 0.13 -0.06 -0.44 -2.27 0.00 0.00 179.45 176.58 3hiv h ASP 160 N 0.21 0.63 -0.50 4.20 3.32 -1.82 -2.33 116.42 120.12 3hiv h ASP 160 Ca 0.06 -0.35 0.08 0.00 0.02 0.00 0.00 57.03 56.83 3hiv h ASP 160 Cb -0.02 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.29 3hiv h ASP 160 CO -0.02 0.84 0.13 -0.08 -1.72 0.00 0.00 179.24 178.39 3hiv h GLU 161 N 0.41 0.27 0.00 3.56 4.81 -1.03 -1.17 114.58 121.43 3hiv h GLU 161 Ca 0.09 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 3hiv h GLU 161 Cb 0.55 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 3hiv h GLU 161 CO 0.03 0.18 -0.24 0.00 -0.73 0.00 0.00 179.01 178.25 3hiv h ALA 162 N 1.37 1.01 -0.09 2.92 0.00 -0.69 -0.27 119.26 123.51 3hiv h ALA 162 Ca 0.25 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 3hiv h ALA 162 Cb 0.31 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.07 3hiv h ALA 162 CO -0.29 0.30 -0.63 1.25 0.00 0.00 0.00 179.25 179.88 3hiv h LEU 163 N 0.00 0.71 -0.44 0.00 5.85 -0.81 -0.25 115.31 120.37 3hiv h LEU 163 Ca -0.00 -0.66 0.08 0.00 0.84 0.00 0.00 57.88 58.13 3hiv h LEU 163 Cb 0.77 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.52 3hiv h LEU 163 CO 0.03 1.26 0.05 0.15 -0.34 0.00 0.00 178.44 179.59 3hiv h PHE 164 N 0.21 0.06 -0.44 1.25 3.57 -0.82 -2.38 116.94 118.39 3hiv h PHE 164 Ca -0.05 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.38 3hiv h PHE 164 Cb 1.28 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 40.04 3hiv h PHE 164 CO 0.11 -0.04 -0.13 -0.07 -2.23 0.00 0.00 178.31 175.95 3hiv h LEU 165 N 0.17 0.80 -0.18 0.59 3.38 -0.95 -1.85 115.31 117.26 3hiv h LEU 165 Ca 0.22 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.98 3hiv h LEU 165 Cb 0.30 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3hiv h LEU 165 CO -0.32 0.94 -0.07 0.25 0.09 0.00 0.00 178.44 179.33 3hiv h LEU 166 N 0.72 -0.23 -0.20 1.67 5.85 -0.56 -1.60 115.31 120.96 3hiv h LEU 166 Ca 0.12 0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.78 3hiv h LEU 166 Cb 0.63 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.79 3hiv h LEU 166 CO 0.04 -0.09 -0.36 0.40 -0.34 0.00 0.00 178.44 178.09 3hiv h ILE 167 N -0.04 1.33 -0.29 4.05 2.04 -1.29 -3.14 117.51 120.17 3hiv h ILE 167 Ca 0.09 -1.59 -0.09 0.00 1.00 0.00 0.00 64.86 64.27 3hiv h ILE 167 Cb 0.18 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 3hiv h ILE 167 CO -0.20 0.49 -0.20 1.62 0.00 0.00 0.00 178.15 179.85 3hiv h VAL 168 N 0.26 1.26 -0.07 1.67 3.04 -1.25 0.27 116.25 121.43 3hiv h VAL 168 Ca 0.01 -1.20 -0.03 0.00 -1.01 0.00 0.00 66.70 64.47 3hiv h VAL 168 Cb 0.95 1.26 -0.01 0.00 -2.01 0.00 0.00 31.29 31.49 3hiv h VAL 168 CO 0.08 0.39 -0.08 -0.37 -1.01 0.00 0.00 177.57 176.58 3hiv h VAL 169 N 0.48 1.10 0.19 1.51 -1.51 -1.28 -0.33 116.25 116.41 3hiv h VAL 169 Ca 0.08 -0.46 -0.29 0.00 -1.23 0.00 0.00 66.70 64.80 3hiv h VAL 169 Cb 0.62 1.14 0.02 0.00 -2.13 0.00 0.00 31.29 30.95 3hiv h VAL 169 CO 0.04 0.14 -1.35 1.56 -1.23 0.00 0.00 177.57 176.73 3hiv h GLN 170 N 0.10 0.40 -0.34 5.19 4.20 -1.19 -0.87 115.11 122.61 3hiv h GLN 170 Ca 0.02 -0.69 -0.08 0.00 0.06 0.00 0.00 58.65 57.97 3hiv h GLN 170 Cb 0.21 0.26 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 3hiv h GLN 170 CO 0.01 1.33 -0.13 0.52 -0.67 0.00 0.00 178.83 179.89 3hiv h MET 171 N -0.07 0.59 0.00 1.46 2.86 -0.35 -1.47 114.93 117.94 3hiv h MET 171 Ca -0.25 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 3hiv h MET 171 Cb 1.95 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 33.56 3hiv h MET 171 CO 0.19 0.70 -0.57 0.28 1.06 0.00 0.00 176.91 178.58 3hiv n VAL 172 N -4.18 0.86 0.30 -2.22 0.31 -0.15 -4.40 118.33 108.86 3hiv n VAL 172 Ca 0.01 0.29 -0.12 0.00 -0.01 0.00 0.00 64.34 64.51 3hiv n VAL 172 Cb 0.34 -1.99 -0.06 0.00 -0.91 0.00 0.00 33.84 31.22 3hiv n VAL 172 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3hiv h GLY 173 N -0.58 -0.83 0.97 2.92 0.00 -1.38 -2.64 103.07 101.54 3hiv h GLY 173 Ca 0.00 0.31 0.01 0.00 0.00 0.00 0.00 47.33 47.65 3hiv h GLY 173 CO 0.00 -0.30 0.54 0.83 0.00 0.00 0.00 176.54 177.61 3hiv h GLU 174 N -0.97 1.06 0.00 4.80 4.39 -1.05 -1.95 114.58 120.86 3hiv h GLU 174 Ca -0.08 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.49 3hiv h GLU 174 Cb 0.61 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 3hiv h GLU 174 CO 0.13 0.70 -0.29 0.00 -1.16 0.00 0.00 179.01 178.39 3hiv h ALA 175 N 1.31 1.39 -0.19 3.43 0.00 -1.36 -0.10 119.26 123.75 3hiv h ALA 175 Ca 0.31 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3hiv h ALA 175 Cb -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3hiv h ALA 175 CO -0.08 0.37 -0.38 0.00 0.00 0.00 0.00 179.25 179.16 3hiv h ALA 176 N 1.71 0.30 -0.19 0.00 0.00 -1.01 -3.20 119.26 116.87 3hiv h ALA 176 Ca -0.00 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 3hiv h ALA 176 Cb 0.56 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3hiv h ALA 176 CO 0.04 0.39 -0.26 0.00 0.00 0.00 0.00 179.25 179.42 3hiv h ARG 177 N 0.26 0.36 -3.88 0.00 3.08 -0.74 -3.14 114.38 110.31 3hiv h ARG 177 Ca 0.01 -0.13 -0.57 0.00 0.07 0.00 0.00 59.98 59.36 3hiv h ARG 177 Cb 0.98 -0.03 -0.39 0.00 0.08 0.00 0.00 29.97 30.61 3hiv h ARG 177 CO 0.08 0.59 -0.77 -0.06 -1.07 0.00 0.00 179.97 178.75 3hiv s PHE 178 N -4.47 1.72 0.45 3.04 0.40 -0.11 0.46 117.98 119.47 3hiv s PHE 178 Ca -0.06 -1.38 0.18 0.00 -0.60 0.00 0.00 56.93 55.07 3hiv s PHE 178 Cb 0.14 -1.38 1.14 0.00 0.51 0.00 0.00 43.02 43.43 3hiv s PHE 178 CO 0.77 -0.72 1.93 -0.22 0.70 0.00 0.00 175.22 177.68 3hiv h LYS 179 N 8.09 0.31 -0.68 0.44 1.63 -1.32 -2.10 116.57 122.93 3hiv h LYS 179 Ca -0.16 -0.02 0.15 0.00 -0.85 0.00 0.00 60.65 59.77 3hiv h LYS 179 Cb 1.08 -0.07 -0.12 0.00 -0.60 0.00 0.00 32.23 32.53 3hiv h LYS 179 CO 0.39 0.20 -0.01 -0.92 -3.45 0.00 0.00 179.45 175.66 3hiv h TYR 180 N 0.32 -0.08 -0.04 1.91 5.03 -1.23 -0.49 116.97 122.39 3hiv h TYR 180 Ca 0.36 0.05 -0.20 0.00 2.58 0.00 0.00 58.73 61.52 3hiv h TYR 180 Cb 0.95 0.14 0.01 0.00 1.55 0.00 0.00 36.73 39.38 3hiv h TYR 180 CO -0.00 -0.21 -0.75 0.82 -1.32 0.00 0.00 178.16 176.70 3hiv h ILE 181 N 0.10 1.35 -0.82 1.81 2.04 -1.68 -2.80 117.51 117.50 3hiv h ILE 181 Ca 0.36 -2.07 0.12 0.00 1.00 0.00 0.00 64.86 64.27 3hiv h ILE 181 Cb 0.60 2.37 -0.08 0.00 -0.74 0.00 0.00 36.82 38.97 3hiv h ILE 181 CO -0.60 0.63 0.44 -0.08 0.00 0.00 0.00 178.15 178.54 3hiv h GLU 182 N 0.19 0.68 -0.12 2.37 4.81 -1.16 -2.15 114.58 119.19 3hiv h GLU 182 Ca -0.08 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 58.99 3hiv h GLU 182 Cb 1.42 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 3hiv h GLU 182 CO 0.15 0.45 -0.45 -0.91 -0.73 0.00 0.00 179.01 177.52 3hiv h ASN 183 N 0.70 0.30 -0.52 1.04 2.35 -1.01 -0.97 115.58 117.46 3hiv h ASN 183 Ca 0.42 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 56.01 3hiv h ASN 183 Cb 0.50 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 3hiv h ASN 183 CO -0.30 0.72 0.23 -0.07 -1.65 0.00 0.00 177.43 176.36 3hiv h LEU 184 N 0.23 0.70 -0.29 1.61 3.38 -1.20 0.58 115.31 120.33 3hiv h LEU 184 Ca 0.02 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3hiv h LEU 184 Cb 0.89 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3hiv h LEU 184 CO 0.07 0.65 0.12 0.58 0.09 0.00 0.00 178.44 179.95 3hiv h VAL 185 N 0.70 1.18 -0.05 1.22 2.07 -1.11 -2.91 116.25 117.34 3hiv h VAL 185 Ca 0.18 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.17 3hiv h VAL 185 Cb 0.16 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3hiv h VAL 185 CO -0.02 0.18 0.02 -0.07 0.02 0.00 0.00 177.57 177.70 3hiv h LEU 186 N 0.32 0.02 -1.79 2.57 3.38 -1.08 -0.25 115.31 118.49 3hiv h LEU 186 Ca 0.10 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.25 3hiv h LEU 186 Cb 0.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 3hiv h LEU 186 CO -0.01 0.02 0.51 0.78 0.09 0.00 0.00 178.44 179.83 3hiv h ASN 187 N 0.05 0.19 -0.27 -0.43 2.35 -0.88 -2.50 115.58 114.08 3hiv h ASN 187 Ca 0.02 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3hiv h ASN 187 Cb 0.01 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.36 3hiv h ASN 187 CO -0.02 0.09 0.00 0.59 -1.65 0.00 0.00 177.43 176.44 3hiv n ASN 188 N -4.41 2.80 -0.18 5.81 3.02 -0.98 -4.83 115.26 116.49 3hiv n ASN 188 Ca 0.15 -2.08 -0.05 0.00 -0.03 0.00 0.00 54.58 52.57 3hiv n ASN 188 Cb 0.67 -0.21 0.01 0.00 -0.61 0.00 0.00 39.78 39.64 3hiv n ASN 188 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3hiv h PHE 189 N 1.60 -0.83 -0.65 3.10 3.57 -0.58 -3.06 116.94 120.09 3hiv h PHE 189 Ca 0.00 0.07 -0.18 0.00 3.53 0.00 0.00 57.97 61.38 3hiv h PHE 189 Cb 0.73 0.44 -0.11 0.00 2.79 0.00 0.00 35.95 39.81 3hiv h PHE 189 CO 0.20 -0.37 0.23 -0.25 -2.23 0.00 0.00 178.31 175.89 3hiv n ASP 190 N -5.43 4.56 -4.69 0.41 8.00 -1.26 -4.88 116.55 113.27 3hiv n ASP 190 Ca 0.04 -3.05 -0.26 0.00 0.71 0.00 0.00 54.79 52.23 3hiv n ASP 190 Cb 0.35 -0.72 -0.07 0.00 -0.02 0.00 0.00 41.12 40.66 3hiv n ASP 190 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3hiv s THR 191 N -2.68 3.85 0.09 -3.53 -4.23 -1.16 -5.05 115.64 102.93 3hiv s THR 191 Ca 0.49 -1.40 -0.21 0.00 -1.18 0.00 0.00 61.69 59.38 3hiv s THR 191 Cb 0.39 -2.96 -0.11 0.00 1.34 0.00 0.00 72.50 71.16 3hiv s THR 191 CO 0.12 -0.14 1.66 0.00 -0.54 0.00 0.00 174.62 175.72 3hiv h ALA 192 N 2.55 0.17 -0.03 3.99 0.00 -1.91 -3.21 119.26 120.82 3hiv h ALA 192 Ca -0.47 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.20 3hiv h ALA 192 Cb 1.21 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3hiv h ALA 192 CO 0.59 -0.27 -0.73 0.87 0.00 0.00 0.00 179.25 179.71 3hiv h LYS 193 N 0.09 0.21 0.00 0.00 1.57 -1.97 -3.49 116.57 112.98 3hiv h LYS 193 Ca 0.05 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3hiv h LYS 193 Cb 0.12 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3hiv h LYS 193 CO -0.01 0.85 0.00 0.39 -0.57 0.00 0.00 179.45 180.11 3hiv n GLU 194 N -3.77 0.00 -3.00 3.15 1.02 -1.21 -4.21 120.64 112.62 3hiv n GLU 194 Ca -0.03 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.67 3hiv n GLU 194 Cb 0.71 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 32.08 3hiv n GLU 194 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hiv s VAL 195 N 0.00 4.61 -0.21 2.62 1.01 -0.16 -4.97 120.40 123.30 3hiv s VAL 195 Ca 0.00 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.15 3hiv s VAL 195 Cb 0.00 -4.58 0.08 0.00 0.00 0.00 0.00 36.38 31.88 3hiv s VAL 195 CO 0.00 -1.28 0.48 -0.70 0.00 0.00 0.00 175.10 173.60 3hiv s GLU 196 N 3.27 0.43 0.80 2.72 2.12 -1.26 -0.08 118.70 126.71 3hiv s GLU 196 Ca 0.16 1.01 -0.12 0.00 0.36 0.00 0.00 54.97 56.38 3hiv s GLU 196 Cb -0.21 0.22 0.07 0.00 0.26 0.00 0.00 34.13 34.47 3hiv s GLU 196 CO 0.08 -0.20 1.12 -1.25 -0.54 0.00 0.00 175.26 174.47 3hiv s PRO 197 N 2.03 2.02 0.09 4.30 0.05 -1.26 -5.05 135.00 137.18 3hiv s PRO 197 Ca -0.06 0.43 -0.31 0.00 0.05 0.00 0.00 61.00 61.11 3hiv s PRO 197 Cb -0.10 -1.93 -0.09 0.00 0.05 0.00 0.00 34.50 32.44 3hiv s PRO 197 CO -0.14 -1.62 1.69 0.08 0.05 0.00 0.00 177.00 177.06 3hiv s VAL 198 N -3.30 2.88 0.58 -0.36 1.01 -0.96 -4.97 120.40 115.28 3hiv s VAL 198 Ca 0.61 0.38 -0.19 0.00 0.00 0.00 0.00 61.98 62.78 3hiv s VAL 198 Cb -0.13 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 3hiv s VAL 198 CO 0.53 0.00 1.19 -2.84 0.00 0.00 0.00 175.10 173.97 3hiv s PRO 199 N 2.54 3.06 0.23 2.72 0.02 -1.26 -4.75 135.00 137.56 3hiv s PRO 199 Ca 0.75 1.77 -0.10 0.00 0.02 0.00 0.00 61.00 63.44 3hiv s PRO 199 Cb -0.42 -1.95 0.34 0.00 0.02 0.00 0.00 34.50 32.50 3hiv s PRO 199 CO 0.33 -1.12 1.62 -0.44 -0.33 0.00 0.00 177.00 177.07 3hiv h ASP 200 N 0.95 -0.53 -0.87 2.53 3.32 -2.00 -2.02 116.42 117.81 3hiv h ASP 200 Ca -0.50 0.20 0.11 0.00 0.02 0.00 0.00 57.03 56.86 3hiv h ASP 200 Cb 1.29 0.40 -0.08 0.00 0.22 0.00 0.00 39.33 41.16 3hiv h ASP 200 CO 0.56 -0.21 0.50 0.03 -1.72 0.00 0.00 179.24 178.39 3hiv h ARG 201 N 0.04 0.78 0.61 3.56 3.08 -1.99 0.12 114.38 120.58 3hiv h ARG 201 Ca 0.37 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.34 3hiv h ARG 201 Cb 0.60 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.47 3hiv h ARG 201 CO -0.70 0.52 -0.31 0.28 -1.07 0.00 0.00 179.97 178.69 3hiv h VAL 202 N 0.81 0.37 -0.77 2.04 2.07 -1.74 -1.05 116.25 117.96 3hiv h VAL 202 Ca 0.43 0.00 0.18 0.00 0.82 0.00 0.00 66.70 68.13 3hiv h VAL 202 Cb 0.44 0.37 -0.12 0.00 -1.52 0.00 0.00 31.29 30.46 3hiv h VAL 202 CO -0.27 0.00 0.18 0.40 0.02 0.00 0.00 177.57 177.90 3hiv h ILE 203 N -0.85 0.46 -0.37 4.57 1.08 -1.23 -0.22 117.51 120.96 3hiv h ILE 203 Ca -0.08 -0.09 -0.01 0.00 -0.39 0.00 0.00 64.86 64.30 3hiv h ILE 203 Cb 0.66 0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 34.58 3hiv h ILE 203 CO 0.13 0.05 0.21 0.40 -0.69 0.00 0.00 178.15 178.24 3hiv h ILE 204 N 0.25 1.14 -0.82 -0.67 2.04 -0.48 -2.64 117.51 116.33 3hiv h ILE 204 Ca 0.45 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.95 3hiv h ILE 204 Cb 0.80 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 3hiv h ILE 204 CO -0.55 0.14 0.51 -0.07 0.00 0.00 0.00 178.15 178.18 3hiv h LEU 205 N 0.47 0.97 -2.36 1.44 3.38 0.06 -2.08 115.31 117.19 3hiv h LEU 205 Ca 0.13 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.07 3hiv h LEU 205 Cb 0.05 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3hiv h LEU 205 CO -0.02 0.73 0.19 -0.33 0.09 0.00 0.00 178.44 179.10 3hiv h GLU 206 N 1.12 0.00 -0.44 1.13 5.08 -0.72 -0.61 114.58 120.14 3hiv h GLU 206 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 3hiv h GLU 206 Cb -0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3hiv h GLU 206 CO -0.06 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.04 3hiv n ASN 207 N -3.33 3.30 -0.71 1.42 4.13 -0.79 -4.47 115.26 114.81 3hiv n ASN 207 Ca -0.01 -1.94 0.04 0.00 1.68 0.00 0.00 54.58 54.35 3hiv n ASN 207 Cb 0.28 -0.29 0.06 0.00 -1.54 0.00 0.00 39.78 38.29 3hiv n ASN 207 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3hiv n ASN 208 N 1.16 0.94 0.03 6.41 3.02 -0.24 -4.87 115.26 121.71 3hiv n ASN 208 Ca 0.17 -2.45 -0.12 0.00 -0.03 0.00 0.00 54.58 52.15 3hiv n ASN 208 Cb 0.52 -0.31 -0.07 0.00 -0.61 0.00 0.00 39.78 39.31 3hiv n ASN 208 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 3hiv h TRP 209 N 0.41 0.02 -0.32 3.10 7.01 -1.76 -0.02 115.95 124.38 3hiv h TRP 209 Ca -0.06 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.92 3hiv h TRP 209 Cb 1.41 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 28.45 3hiv h TRP 209 CO 0.19 0.06 0.15 0.78 -2.79 0.00 0.00 178.44 176.83 3hiv h GLY 210 N -0.02 0.51 1.01 2.65 0.00 -1.93 -2.55 103.07 102.74 3hiv h GLY 210 Ca 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 3hiv h GLY 210 CO -0.00 0.25 0.45 -2.00 0.00 0.00 0.00 176.54 175.24 3hiv h LEU 211 N 0.38 0.98 -1.03 3.11 7.12 -1.88 -2.44 115.31 121.55 3hiv h LEU 211 Ca 0.11 -0.09 -0.10 0.00 0.13 0.00 0.00 57.88 57.93 3hiv h LEU 211 Cb 0.14 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 40.01 3hiv h LEU 211 CO -0.01 0.79 -0.45 -0.07 -0.13 0.00 0.00 178.44 178.56 3hiv h LEU 212 N 1.10 0.07 -0.14 2.25 3.38 -0.89 -2.14 115.31 118.94 3hiv h LEU 212 Ca 0.28 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.14 3hiv h LEU 212 Cb 0.01 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3hiv h LEU 212 CO -0.05 0.52 -0.24 0.28 0.09 0.00 0.00 178.44 179.03 3hiv h SER 213 N 0.05 0.46 -0.68 -0.43 0.02 -1.18 0.82 113.55 112.62 3hiv h SER 213 Ca 0.00 -0.54 -0.02 0.00 -0.84 0.00 0.00 61.79 60.39 3hiv h SER 213 Cb 0.83 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.20 3hiv h SER 213 CO 0.06 0.91 0.34 0.03 -1.14 0.00 0.00 176.83 177.03 3hiv h ARG 214 N 0.02 0.99 -0.03 3.45 3.08 -1.42 -2.02 114.38 118.46 3hiv h ARG 214 Ca 0.01 -0.13 -0.16 0.00 0.07 0.00 0.00 59.98 59.77 3hiv h ARG 214 Cb 0.82 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 3hiv h ARG 214 CO 0.06 0.77 -0.68 0.00 -1.07 0.00 0.00 179.97 179.04 3hiv h ALA 215 N 1.38 0.79 -0.55 0.04 0.00 -1.25 -3.12 119.26 116.55 3hiv h ALA 215 Ca 0.24 -0.60 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 3hiv h ALA 215 Cb 0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3hiv h ALA 215 CO -0.03 0.80 0.18 0.00 0.00 0.00 0.00 179.25 180.20 3hiv h ALA 216 N 1.19 0.71 -0.16 0.00 0.00 -0.53 -1.74 119.26 118.73 3hiv h ALA 216 Ca -0.01 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.75 3hiv h ALA 216 Cb 1.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3hiv h ALA 216 CO 0.10 0.36 0.11 -0.22 0.00 0.00 0.00 179.25 179.60 3hiv h LYS 217 N 0.75 0.05 -0.57 0.00 3.64 -1.31 0.06 116.57 119.19 3hiv h LYS 217 Ca 0.18 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3hiv h LYS 217 Cb 0.26 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3hiv h LYS 217 CO -0.01 0.03 0.00 0.25 -2.27 0.00 0.00 179.45 177.46 3hiv n THR 218 N -4.50 1.28 -1.57 1.00 -2.24 -1.13 -4.25 114.28 102.87 3hiv n THR 218 Ca 0.00 -1.10 -0.32 0.00 -2.27 0.00 0.00 64.05 60.36 3hiv n THR 218 Cb 0.20 0.37 0.06 0.00 -2.10 0.00 0.00 70.33 68.85 3hiv n THR 218 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hiv s ALA 219 N -1.31 2.48 -0.31 6.98 0.00 -0.02 -4.16 121.76 125.41 3hiv s ALA 219 Ca 0.41 0.31 -0.04 0.00 0.00 0.00 0.00 51.96 52.64 3hiv s ALA 219 Cb 0.24 -3.25 0.04 0.00 0.00 0.00 0.00 23.12 20.15 3hiv s ALA 219 CO 0.25 -1.37 0.04 -0.80 0.00 0.00 0.00 175.76 173.88 3hiv s ASN 220 N -3.21 5.04 -1.64 0.00 -0.87 0.17 -4.33 114.94 110.09 3hiv s ASN 220 Ca 0.62 -1.16 -0.13 0.00 -1.57 0.00 0.00 52.86 50.62 3hiv s ASN 220 Cb -0.17 -1.78 0.12 0.00 -0.02 0.00 0.00 41.25 39.40 3hiv s ASN 220 CO 0.49 -0.27 0.63 0.59 -2.57 0.00 0.00 177.10 175.97 3hiv n ASN 221 N 4.71 -2.20 0.00 -1.22 3.02 0.54 -1.16 115.26 118.95 3hiv n ASN 221 Ca -0.13 -1.05 0.00 0.00 -0.03 0.00 0.00 54.58 53.37 3hiv n ASN 221 Cb 0.44 -2.65 0.00 0.00 -0.61 0.00 0.00 39.78 36.96 3hiv n ASN 221 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hiv n GLY 222 N -1.60 0.78 3.65 7.41 0.00 0.54 -4.95 105.19 111.01 3hiv n GLY 222 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 3hiv n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hiv s VAL 223 N -2.32 5.33 0.53 1.61 1.01 -0.31 -1.09 120.40 125.15 3hiv s VAL 223 Ca 0.00 0.24 -0.22 0.00 0.00 0.00 0.00 61.98 62.00 3hiv s VAL 223 Cb 0.00 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.79 3hiv s VAL 223 CO 0.00 0.31 1.33 -0.36 0.00 0.00 0.00 175.10 176.38 3hiv s PHE 224 N 1.24 2.40 0.28 5.22 0.08 -0.32 0.42 117.98 127.30 3hiv s PHE 224 Ca 0.09 1.40 -0.02 0.00 0.12 0.00 0.00 56.93 58.52 3hiv s PHE 224 Cb -0.14 -3.73 0.44 0.00 -0.57 0.00 0.00 43.02 39.02 3hiv s PHE 224 CO 0.06 -2.65 1.92 0.37 -0.10 0.00 0.00 175.22 174.82 3hiv h GLN 225 N 1.59 1.11 -4.47 0.44 4.15 -1.83 -3.41 115.11 112.68 3hiv h GLN 225 Ca -0.51 -0.07 -0.32 0.00 0.77 0.00 0.00 58.65 58.53 3hiv h GLN 225 Cb 1.29 -0.25 -0.26 0.00 0.21 0.00 0.00 27.48 28.47 3hiv h GLN 225 CO 0.58 0.73 -0.75 0.95 -1.93 0.00 0.00 178.83 178.41 3hiv s THR 226 N -5.98 0.51 0.56 2.39 -4.23 -1.26 -5.11 115.64 102.52 3hiv s THR 226 Ca -0.12 -0.55 -0.20 0.00 -1.18 0.00 0.00 61.69 59.64 3hiv s THR 226 Cb 0.19 -0.48 -0.04 0.00 1.34 0.00 0.00 72.50 73.51 3hiv s THR 226 CO 0.81 -0.04 1.24 -2.84 -0.54 0.00 0.00 174.62 173.24 3hiv s PRO 227 N -0.65 3.11 -0.13 3.99 0.02 -1.26 -4.98 135.00 135.10 3hiv s PRO 227 Ca -0.02 1.92 -0.02 0.00 0.02 0.00 0.00 61.00 62.90 3hiv s PRO 227 Cb -0.05 -2.07 -0.03 0.00 0.02 0.00 0.00 34.50 32.37 3hiv s PRO 227 CO 0.00 -1.12 -0.05 -0.51 -0.33 0.00 0.00 177.00 174.99 3hiv s LEU 228 N -3.80 3.21 -0.51 -5.54 1.43 -0.07 -4.97 118.68 108.44 3hiv s LEU 228 Ca 0.74 -0.10 -0.10 0.00 -1.03 0.00 0.00 54.13 53.64 3hiv s LEU 228 Cb -0.33 -1.75 0.13 0.00 0.03 0.00 0.00 46.19 44.27 3hiv s LEU 228 CO 0.37 0.23 0.40 -0.69 0.23 0.00 0.00 176.35 176.88 3hiv s VAL 229 N -0.01 4.41 0.06 -1.59 1.01 -1.26 -0.68 120.40 122.34 3hiv s VAL 229 Ca 0.00 -1.86 -0.25 0.00 0.00 0.00 0.00 61.98 59.88 3hiv s VAL 229 Cb -0.13 -3.88 -0.06 0.00 0.00 0.00 0.00 36.38 32.31 3hiv s VAL 229 CO 0.03 -0.81 0.75 -0.76 0.00 0.00 0.00 175.10 174.31 3hiv s LEU 230 N 1.24 4.47 0.06 3.92 1.43 -0.57 -4.89 118.68 124.35 3hiv s LEU 230 Ca 0.07 1.46 -0.04 0.00 -1.03 0.00 0.00 54.13 54.59 3hiv s LEU 230 Cb -0.25 -3.22 -0.02 0.00 0.03 0.00 0.00 46.19 42.72 3hiv s LEU 230 CO -0.01 0.06 0.04 0.42 0.23 0.00 0.00 176.35 177.09 3hiv s THR 231 N -0.27 0.18 -0.00 5.49 -4.23 -1.26 -1.47 115.64 114.08 3hiv s THR 231 Ca 0.37 -1.49 0.01 0.00 -1.18 0.00 0.00 61.69 59.40 3hiv s THR 231 Cb -0.21 -1.31 -0.00 0.00 1.34 0.00 0.00 72.50 72.32 3hiv s THR 231 CO 0.23 -0.82 -0.04 -0.55 -0.54 0.00 0.00 174.62 172.90 3hiv s SER 232 N -2.70 0.45 0.59 3.99 0.15 -1.26 -4.89 113.70 110.03 3hiv s SER 232 Ca 0.03 -0.09 0.28 0.00 0.70 0.00 0.00 55.95 56.88 3hiv s SER 232 Cb 0.05 -0.04 1.66 0.00 -1.71 0.00 0.00 66.02 65.97 3hiv s SER 232 CO -0.09 0.03 2.12 0.10 1.20 0.00 0.00 173.24 176.60 3hiv h TYR 233 N 5.99 0.00 0.00 3.44 -0.00 -1.99 -1.87 116.97 122.54 3hiv h TYR 233 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.46 3hiv h TYR 233 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.93 3hiv h TYR 233 CO 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.58 3hiv h ALA 234 N 1.80 1.00 -2.14 0.10 0.00 -1.95 -3.31 119.26 114.76 3hiv h ALA 234 Ca 0.08 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.40 3hiv h ALA 234 Cb 0.43 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.81 3hiv h ALA 234 CO -0.00 0.00 -0.76 1.33 0.00 0.00 0.00 179.25 179.82 3hiv n VAL 235 N -3.04 1.52 -1.76 0.00 0.24 -0.70 -5.07 118.33 109.51 3hiv n VAL 235 Ca 0.03 -4.91 -0.40 0.00 -2.04 0.00 0.00 64.34 57.02 3hiv n VAL 235 Cb 0.43 -1.94 0.02 0.00 -1.47 0.00 0.00 33.84 30.88 3hiv n VAL 235 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 3hiv n PRO 236 N 0.89 2.26 -0.44 7.34 -0.04 -1.25 -2.56 135.00 141.20 3hiv n PRO 236 Ca 0.27 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.54 3hiv n PRO 236 Cb 0.45 -2.64 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 3hiv n PRO 236 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hiv n GLY 237 N 0.57 1.59 3.87 0.55 0.00 -1.26 -5.04 105.19 105.47 3hiv n GLY 237 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3hiv n GLY 237 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hiv s VAL 238 N -3.25 5.26 -0.00 1.61 1.01 -1.06 -5.11 120.40 118.86 3hiv s VAL 238 Ca 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.77 3hiv s VAL 238 Cb 0.00 -3.45 -0.00 0.00 0.00 0.00 0.00 36.38 32.93 3hiv s VAL 238 CO 0.00 0.33 -0.04 -1.61 0.00 0.00 0.00 175.10 173.79 3hiv s GLU 239 N -1.88 0.30 -0.33 2.72 2.02 -1.26 -4.66 118.70 115.61 3hiv s GLU 239 Ca 0.26 -0.15 0.02 0.00 0.02 0.00 0.00 54.97 55.12 3hiv s GLU 239 Cb -0.12 -0.28 0.10 0.00 0.10 0.00 0.00 34.13 33.93 3hiv s GLU 239 CO 0.17 0.08 0.07 -0.46 0.02 0.00 0.00 175.26 175.14 3hiv s TRP 240 N -0.13 2.81 -0.04 1.61 -0.00 -0.54 -4.98 118.94 117.67 3hiv s TRP 240 Ca 0.01 -2.42 -0.30 0.00 -0.00 0.00 0.00 56.10 53.39 3hiv s TRP 240 Cb -0.02 -2.37 -0.03 0.00 -0.00 0.00 0.00 33.47 31.06 3hiv s TRP 240 CO -0.00 -0.92 1.14 0.50 -0.00 0.00 0.00 176.95 177.67 3hiv s ARG 241 N 1.23 4.40 0.05 5.86 3.00 -1.26 -1.51 118.95 130.73 3hiv s ARG 241 Ca 0.10 1.60 0.04 0.00 -1.00 0.00 0.00 55.73 56.48 3hiv s ARG 241 Cb -0.18 -3.51 -0.02 0.00 0.00 0.00 0.00 34.95 31.23 3hiv s ARG 241 CO -0.16 -0.35 -0.11 0.14 0.00 0.00 0.00 175.30 174.82 3hiv s VAL 242 N 1.85 0.86 -0.00 7.11 -7.23 0.15 -4.99 120.40 118.14 3hiv s VAL 242 Ca 0.54 -1.11 0.00 0.00 -1.81 0.00 0.00 61.98 59.61 3hiv s VAL 242 Cb -0.24 -0.84 -0.00 0.00 0.56 0.00 0.00 36.38 35.86 3hiv s VAL 242 CO 0.23 -0.23 0.01 0.35 -0.31 0.00 0.00 175.10 175.15 3hiv n THR 243 N 1.55 0.00 -4.11 5.32 -2.24 -1.26 -0.89 114.28 112.65 3hiv n THR 243 Ca -0.21 -0.12 -0.14 0.00 -2.27 0.00 0.00 64.05 61.30 3hiv n THR 243 Cb 0.55 0.62 -0.13 0.00 -2.10 0.00 0.00 70.33 69.27 3hiv n THR 243 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3hiv s THR 244 N -1.77 0.54 0.24 4.28 -4.23 -1.26 -1.17 115.64 112.25 3hiv s THR 244 Ca -0.00 -0.79 -0.06 0.00 -1.18 0.00 0.00 61.69 59.66 3hiv s THR 244 Cb 0.00 -0.55 0.20 0.00 1.34 0.00 0.00 72.50 73.49 3hiv s THR 244 CO 0.01 -0.19 1.73 0.58 -0.54 0.00 0.00 174.62 176.21 3hiv h VAL 245 N 4.67 0.68 -1.06 2.29 2.07 -1.50 -2.65 116.25 120.75 3hiv h VAL 245 Ca -0.33 -0.15 0.30 0.00 0.82 0.00 0.00 66.70 67.33 3hiv h VAL 245 Cb 1.20 0.21 -0.12 0.00 -1.52 0.00 0.00 31.29 31.06 3hiv h VAL 245 CO 0.44 0.08 0.66 0.00 0.02 0.00 0.00 177.57 178.76 3hiv h ALA 246 N 1.52 2.14 0.00 1.67 0.00 -1.97 -2.55 119.26 120.07 3hiv h ALA 246 Ca 0.39 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.36 3hiv h ALA 246 Cb 0.56 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3hiv h ALA 246 CO -0.38 -0.63 -0.22 0.93 0.00 0.00 0.00 179.25 178.94 3hiv h GLU 247 N 0.38 0.00 -0.01 0.00 5.08 -1.87 -3.10 114.58 115.06 3hiv h GLU 247 Ca 0.67 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.03 3hiv h GLU 247 Cb 1.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.87 3hiv h GLU 247 CO -0.42 0.22 -0.38 1.33 -1.00 0.00 0.00 179.01 178.76 3hiv n VAL 248 N -3.99 0.00 -3.52 3.13 0.24 -0.96 -5.01 118.33 108.22 3hiv n VAL 248 Ca -0.02 -0.23 -0.19 0.00 -2.04 0.00 0.00 64.34 61.87 3hiv n VAL 248 Cb 0.30 0.98 0.01 0.00 -1.47 0.00 0.00 33.84 33.67 3hiv n VAL 248 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3hiv n GLU 249 N -0.16 -1.36 -2.33 7.34 1.02 -1.17 -4.44 120.64 119.53 3hiv n GLU 249 Ca 0.11 0.91 -0.39 0.00 -0.02 0.00 0.00 57.16 57.76 3hiv n GLU 249 Cb 0.43 -4.00 -0.03 0.00 -0.02 0.00 0.00 31.44 27.82 3hiv n GLU 249 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3hiv s ILE 250 N -3.14 3.20 -0.24 -3.67 -1.09 -1.26 -0.89 121.20 114.11 3hiv s ILE 250 Ca 0.15 1.11 -0.18 0.00 -2.23 0.00 0.00 60.65 59.50 3hiv s ILE 250 Cb -0.05 -3.67 -0.16 0.00 -1.58 0.00 0.00 42.46 37.00 3hiv s ILE 250 CO 0.84 0.20 -0.03 0.61 -1.23 0.00 0.00 174.94 175.32 3hiv n GLY 251 N 0.84 -0.68 3.22 6.18 0.00 0.17 -4.06 105.19 110.87 3hiv n GLY 251 Ca 0.01 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 3hiv n GLY 251 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hiv s ILE 252 N -2.43 0.01 0.07 -0.61 2.07 -0.70 -4.39 121.20 115.22 3hiv s ILE 252 Ca -0.33 -0.04 -0.30 0.00 -1.41 0.00 0.00 60.65 58.57 3hiv s ILE 252 Cb 0.10 -0.47 -0.05 0.00 0.13 0.00 0.00 42.46 42.16 3hiv s ILE 252 CO 0.55 -0.02 0.97 -0.36 -1.91 0.00 0.00 174.94 174.16 3hiv s PHE 253 N 0.04 3.75 0.38 3.50 0.08 0.13 -4.76 117.98 121.11 3hiv s PHE 253 Ca -0.01 1.76 -0.26 0.00 0.12 0.00 0.00 56.93 58.54 3hiv s PHE 253 Cb -0.03 -3.08 -0.11 0.00 -0.57 0.00 0.00 43.02 39.23 3hiv s PHE 253 CO 0.01 0.12 1.18 -0.11 -0.10 0.00 0.00 175.22 176.32 3hiv n LEU 254 N 3.21 3.26 -4.68 -0.37 7.94 -1.26 -0.43 117.00 124.67 3hiv n LEU 254 Ca 0.04 1.13 -0.41 0.00 -1.11 0.00 0.00 56.01 55.66 3hiv n LEU 254 Cb 0.50 -1.43 -0.04 0.00 0.53 0.00 0.00 43.42 42.97 3hiv n LEU 254 CO 0.51 -0.91 0.53 0.21 -1.11 0.00 0.00 177.39 176.63 3hiv s ASN 255 N -0.53 6.96 -0.15 1.96 2.47 -1.26 -4.74 114.94 119.66 3hiv s ASN 255 Ca 0.60 1.17 0.14 0.00 0.42 0.00 0.00 52.86 55.19 3hiv s ASN 255 Cb -0.56 -2.44 0.37 0.00 -1.45 0.00 0.00 41.25 37.18 3hiv s ASN 255 CO 0.59 -0.30 1.19 1.33 -3.72 0.00 0.00 177.10 176.19 3hiv n VAL 256 N 4.43 1.64 1.13 -5.21 0.24 -1.26 -5.06 118.33 114.24 3hiv n VAL 256 Ca 0.02 -2.49 0.13 0.00 -2.04 0.00 0.00 64.34 59.96 3hiv n VAL 256 Cb 0.50 0.02 0.21 0.00 -1.47 0.00 0.00 33.84 33.10 3hiv n VAL 256 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16