#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 5.18 -0.12 2.52 -1.09 -1.26 -5.00 121.20 121.43 3hiv s ILE 2 Ca 0.00 0.76 0.02 0.00 -2.23 0.00 0.00 60.65 59.20 3hiv s ILE 2 Cb 0.00 -3.75 -0.00 0.00 -1.58 0.00 0.00 42.46 37.12 3hiv s ILE 2 CO 0.00 0.23 -0.20 -0.63 -1.23 0.00 0.00 174.94 173.11 3hiv s ILE 3 N 1.42 2.39 0.13 2.92 1.01 -1.26 -0.80 121.20 127.01 3hiv s ILE 3 Ca 0.20 -0.90 0.08 0.00 0.00 0.00 0.00 60.65 60.03 3hiv s ILE 3 Cb -0.15 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 3hiv s ILE 3 CO 0.08 0.55 -0.19 -0.31 0.00 0.00 0.00 174.94 175.07 3hiv s TYR 4 N 0.41 1.75 0.02 3.97 2.02 -0.30 -5.00 117.35 120.22 3hiv s TYR 4 Ca -0.15 -0.46 0.03 0.00 -0.37 0.00 0.00 57.07 56.12 3hiv s TYR 4 Cb -0.17 -0.91 -0.01 0.00 -0.40 0.00 0.00 41.96 40.47 3hiv s TYR 4 CO 0.07 0.26 -0.08 -1.21 -1.57 0.00 0.00 175.55 173.01 3hiv s GLU 5 N -2.42 0.60 -0.14 -0.62 2.02 -1.26 -1.10 118.70 115.78 3hiv s GLU 5 Ca 0.11 -0.48 -0.01 0.00 0.02 0.00 0.00 54.97 54.62 3hiv s GLU 5 Cb -0.07 -0.52 0.03 0.00 0.10 0.00 0.00 34.13 33.67 3hiv s GLU 5 CO 0.05 0.13 -0.05 -1.17 0.02 0.00 0.00 175.26 174.24 3hiv s LEU 6 N -0.74 1.30 -0.10 1.80 2.96 -0.65 -4.85 118.68 118.40 3hiv s LEU 6 Ca -0.01 -0.46 -0.30 0.00 -0.22 0.00 0.00 54.13 53.14 3hiv s LEU 6 Cb -0.06 -0.81 -0.02 0.00 0.50 0.00 0.00 46.19 45.80 3hiv s LEU 6 CO 0.00 -0.17 1.12 0.21 -1.32 0.00 0.00 176.35 176.19 3hiv s ASN 7 N 1.71 7.12 0.00 3.68 3.84 -1.26 -1.83 114.94 128.20 3hiv s ASN 7 Ca 0.03 1.66 0.28 0.00 0.21 0.00 0.00 52.86 55.04 3hiv s ASN 7 Cb -0.14 -2.55 1.13 0.00 -0.55 0.00 0.00 41.25 39.14 3hiv s ASN 7 CO -0.08 -0.56 1.79 0.18 -2.79 0.00 0.00 177.10 175.65 3hiv n LEU 8 N 5.35 1.18 -4.67 3.21 4.77 0.11 -4.33 117.00 122.62 3hiv n LEU 8 Ca 0.10 -0.37 -0.38 0.00 -0.03 0.00 0.00 56.01 55.33 3hiv n LEU 8 Cb 0.47 -0.03 -0.08 0.00 -2.33 0.00 0.00 43.42 41.45 3hiv n LEU 8 CO 0.54 0.20 0.05 -1.10 -1.33 0.00 0.00 177.39 175.75 3hiv s GLN 9 N -2.10 4.15 -1.45 3.23 -0.21 -1.25 -4.40 119.66 117.63 3hiv s GLN 9 Ca 0.37 0.12 -0.09 0.00 0.02 0.00 0.00 55.36 55.78 3hiv s GLN 9 Cb 0.21 -3.54 0.04 0.00 1.00 0.00 0.00 33.01 30.71 3hiv s GLN 9 CO 0.37 -0.03 0.95 0.41 -2.12 0.00 0.00 175.29 174.88 3hiv n GLY 10 N 3.99 -0.53 3.74 3.09 0.00 -1.26 -4.92 105.19 109.30 3hiv n GLY 10 Ca -0.09 0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3hiv n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hiv s THR 11 N -3.25 3.10 0.43 2.61 2.01 -1.26 -5.04 115.64 114.24 3hiv s THR 11 Ca 0.53 0.91 0.08 0.00 0.31 0.00 0.00 61.69 63.53 3hiv s THR 11 Cb -0.25 -3.58 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 3hiv s THR 11 CO 0.66 0.14 0.45 0.42 -0.69 0.00 0.00 174.62 175.60 3hiv s THR 12 N 0.06 2.73 0.14 -0.82 -4.23 -1.26 -5.02 115.64 107.25 3hiv s THR 12 Ca 0.57 -1.23 -0.17 0.00 -1.18 0.00 0.00 61.69 59.68 3hiv s THR 12 Cb -0.37 -2.95 -0.01 0.00 1.34 0.00 0.00 72.50 70.51 3hiv s THR 12 CO 0.39 0.00 1.76 0.11 -0.54 0.00 0.00 174.62 176.34 3hiv h LYS 13 N 0.87 0.27 -0.17 3.99 1.57 -1.96 -2.44 116.57 118.70 3hiv h LYS 13 Ca -0.40 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.33 3hiv h LYS 13 Cb 1.27 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 3hiv h LYS 13 CO 0.53 0.18 -0.01 0.00 -0.57 0.00 0.00 179.45 179.58 3hiv h ALA 14 N 1.18 1.68 -0.08 3.86 0.00 -1.98 -0.90 119.26 123.01 3hiv h ALA 14 Ca 0.13 -0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 3hiv h ALA 14 Cb 0.08 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.80 3hiv h ALA 14 CO -0.12 0.24 -0.72 1.96 0.00 0.00 0.00 179.25 180.62 3hiv h GLN 15 N 0.24 0.62 0.53 0.00 4.20 -1.93 -0.14 115.11 118.63 3hiv h GLN 15 Ca 0.06 -0.57 -0.03 0.00 0.06 0.00 0.00 58.65 58.17 3hiv h GLN 15 Cb 0.18 0.14 0.01 0.00 0.30 0.00 0.00 27.48 28.11 3hiv h GLN 15 CO 0.00 1.18 -0.25 -0.92 -0.67 0.00 0.00 178.83 178.17 3hiv h TYR 16 N 0.26 -0.66 -0.78 2.96 3.20 -1.20 -0.39 116.97 120.35 3hiv h TYR 16 Ca -0.07 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.87 3hiv h TYR 16 Cb 1.37 0.22 -0.07 0.00 1.54 0.00 0.00 36.73 39.79 3hiv h TYR 16 CO 0.11 -0.41 0.44 0.77 -1.64 0.00 0.00 178.16 177.44 3hiv h SER 17 N -0.72 0.64 -0.29 -2.11 0.02 -1.24 -2.09 113.55 107.77 3hiv h SER 17 Ca -0.07 0.04 0.03 0.00 -0.84 0.00 0.00 61.79 60.95 3hiv h SER 17 Cb 0.55 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 3hiv h SER 17 CO 0.12 0.38 0.09 0.74 -1.14 0.00 0.00 176.83 177.02 3hiv h THR 18 N 0.77 0.91 -0.58 -2.27 2.02 -0.88 -1.49 112.91 111.39 3hiv h THR 18 Ca 0.37 -0.07 0.04 0.00 0.77 0.00 0.00 66.41 67.51 3hiv h THR 18 Cb 0.31 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 3hiv h THR 18 CO -0.23 0.04 0.34 0.15 0.37 0.00 0.00 175.52 176.19 3hiv h PHE 19 N 0.21 0.63 -0.21 3.16 3.57 -0.67 -1.07 116.94 122.55 3hiv h PHE 19 Ca 0.13 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.50 3hiv h PHE 19 Cb 0.11 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 3hiv h PHE 19 CO -0.14 0.33 -0.49 -0.07 -2.23 0.00 0.00 178.31 175.72 3hiv h LEU 20 N 0.65 0.62 -1.02 0.59 3.38 -1.20 -2.73 115.31 115.60 3hiv h LEU 20 Ca 0.25 -0.31 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3hiv h LEU 20 Cb 0.08 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3hiv h LEU 20 CO -0.13 1.01 -0.06 0.50 0.09 0.00 0.00 178.44 179.85 3hiv h LYS 21 N 0.45 0.64 -0.70 1.13 3.64 -0.84 -2.31 116.57 118.58 3hiv h LYS 21 Ca 0.02 -0.17 -0.03 0.00 -1.27 0.00 0.00 60.65 59.20 3hiv h LYS 21 Cb 1.02 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.73 3hiv h LYS 21 CO 0.09 0.70 0.32 1.96 -2.27 0.00 0.00 179.45 180.25 3hiv h GLN 22 N 0.60 1.01 0.55 1.90 4.20 -0.94 -0.86 115.11 121.57 3hiv h GLN 22 Ca 0.11 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 3hiv h GLN 22 Cb 0.46 -0.18 0.01 0.00 0.30 0.00 0.00 27.48 28.07 3hiv h GLN 22 CO 0.02 0.79 -0.27 -0.07 -0.67 0.00 0.00 178.83 178.64 3hiv h LEU 23 N 1.00 -0.63 -0.67 1.46 3.38 -1.14 -2.03 115.31 116.68 3hiv h LEU 23 Ca 0.24 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.26 3hiv h LEU 23 Cb 0.13 0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 3hiv h LEU 23 CO -0.03 -0.43 0.41 0.03 0.09 0.00 0.00 178.44 178.51 3hiv h ARG 24 N -0.77 0.76 -0.12 1.13 3.08 -1.33 -2.24 114.38 114.89 3hiv h ARG 24 Ca -0.08 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.87 3hiv h ARG 24 Cb 0.58 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3hiv h ARG 24 CO 0.12 0.50 -0.19 -0.44 -1.07 0.00 0.00 179.97 178.90 3hiv h ASP 25 N 0.79 0.19 0.55 7.04 5.19 -1.12 -1.28 116.42 127.77 3hiv h ASP 25 Ca 0.28 -0.04 -0.07 0.00 -0.62 0.00 0.00 57.03 56.58 3hiv h ASP 25 Cb 0.06 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 3hiv h ASP 25 CO -0.12 0.39 -0.32 -0.78 -3.12 0.00 0.00 179.24 175.29 3hiv h ASP 26 N 0.18 0.00 0.00 6.45 3.58 -0.74 -3.34 116.42 122.56 3hiv h ASP 26 Ca 0.03 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.46 3hiv h ASP 26 Cb 0.45 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.49 3hiv h ASP 26 CO 0.03 0.32 -1.50 2.30 -2.88 0.00 0.00 179.24 177.50 3hiv n ILE 27 N -3.78 0.08 -1.60 2.25 -5.35 -0.99 -5.04 119.36 104.94 3hiv n ILE 27 Ca -0.01 -0.26 -0.34 0.00 -0.27 0.00 0.00 62.75 61.87 3hiv n ILE 27 Cb 0.41 0.13 0.07 0.00 -1.74 0.00 0.00 39.64 38.51 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 -2.66 2.46 -0.06 6.28 -2.85 -0.52 -1.36 119.74 121.03 3hiv s LYS 28 Ca -0.04 1.60 -0.30 0.00 -1.00 0.00 0.00 55.97 56.23 3hiv s LYS 28 Cb 0.06 -1.89 -0.03 0.00 -2.06 0.00 0.00 37.83 33.91 3hiv s LYS 28 CO 0.43 -1.55 1.20 0.34 0.10 0.00 0.00 175.35 175.87 3hiv s ASP 29 N -2.24 7.05 0.31 0.03 -1.08 0.28 -4.36 116.67 116.66 3hiv s ASP 29 Ca 0.71 1.80 0.08 0.00 -0.52 0.00 0.00 52.55 54.62 3hiv s ASP 29 Cb -0.25 -2.56 0.86 0.00 -1.46 0.00 0.00 42.92 39.51 3hiv s ASP 29 CO 0.43 -0.59 1.68 1.55 0.52 0.00 0.00 175.17 178.76 3hiv h PRO 30 N 7.48 0.36 -0.05 4.34 0.13 -1.94 -3.24 132.00 139.08 3hiv h PRO 30 Ca -0.34 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3hiv h PRO 30 Cb 1.16 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3hiv h PRO 30 CO 0.88 0.24 0.00 0.09 -0.23 0.00 0.00 178.00 178.98 3hiv n ASN 31 N -5.06 1.72 -4.72 1.44 4.13 -1.26 -5.03 115.26 106.49 3hiv n ASN 31 Ca 0.26 -1.47 -0.38 0.00 1.68 0.00 0.00 54.58 54.67 3hiv n ASN 31 Cb 0.78 -0.03 -0.06 0.00 -1.54 0.00 0.00 39.78 38.93 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 -0.59 4.27 0.02 3.41 2.96 -1.22 -5.07 118.68 122.45 3hiv s LEU 32 Ca 0.07 0.80 0.02 0.00 -0.22 0.00 0.00 54.13 54.80 3hiv s LEU 32 Cb 0.04 -2.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.03 3hiv s LEU 32 CO 0.06 -0.00 -0.07 -1.00 -1.32 0.00 0.00 176.35 174.02 3hiv s HIS 33 N 0.65 0.64 -0.12 5.38 3.76 -1.26 -3.81 115.29 120.53 3hiv s HIS 33 Ca 0.26 -0.28 -0.07 0.00 -0.15 0.00 0.00 55.06 54.82 3hiv s HIS 33 Cb -0.15 -0.39 -0.04 0.00 1.11 0.00 0.00 32.58 33.10 3hiv s HIS 33 CO 0.10 -0.03 0.13 0.71 -0.85 0.00 0.00 174.74 174.80 3hiv s TYR 34 N -0.69 3.56 -1.27 1.40 2.02 -1.26 -4.69 117.35 116.41 3hiv s TYR 34 Ca -0.03 0.50 -0.02 0.00 -0.37 0.00 0.00 57.07 57.15 3hiv s TYR 34 Cb -0.06 -1.94 0.01 0.00 -0.40 0.00 0.00 41.96 39.58 3hiv s TYR 34 CO 0.00 0.70 0.15 0.41 -1.57 0.00 0.00 175.55 175.25 3hiv n GLY 35 N 2.05 -0.50 2.26 0.71 0.00 -0.77 -2.36 105.19 106.59 3hiv n GLY 35 Ca -0.20 0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.99 0.54 3.87 -0.02 0.00 -1.26 -0.98 105.19 106.36 3hiv n GLY 36 Ca -0.14 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.47 4.00 -1.53 2.61 -4.23 -0.99 -4.57 115.64 108.45 3hiv s THR 37 Ca 0.00 -1.29 0.24 0.00 -1.18 0.00 0.00 61.69 59.46 3hiv s THR 37 Cb 0.00 -3.33 0.07 0.00 1.34 0.00 0.00 72.50 70.57 3hiv s THR 37 CO 0.00 -0.23 1.32 -0.46 -0.54 0.00 0.00 174.62 174.70 3hiv n ASN 38 N -1.36 1.14 -4.65 3.99 6.94 -1.26 -4.50 115.26 115.55 3hiv n ASN 38 Ca -0.04 -0.91 -0.39 0.00 -0.02 0.00 0.00 54.58 53.23 3hiv n ASN 38 Cb 0.59 0.38 0.04 0.00 -2.36 0.00 0.00 39.78 38.43 3hiv n ASN 38 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3hiv n LEU 39 N -0.83 3.99 -4.82 -4.53 4.77 -1.26 -5.00 117.00 109.33 3hiv n LEU 39 Ca 0.09 0.89 -0.31 0.00 -0.03 0.00 0.00 56.01 56.65 3hiv n LEU 39 Cb 0.37 -1.43 0.05 0.00 -2.33 0.00 0.00 43.42 40.08 3hiv n LEU 39 CO 0.31 -1.45 0.71 -2.16 -1.33 0.00 0.00 177.39 173.47 3hiv s PRO 40 N -2.66 2.94 -0.01 3.23 0.04 -1.26 -4.57 135.00 132.71 3hiv s PRO 40 Ca 0.72 0.99 0.03 0.00 0.04 0.00 0.00 61.00 62.78 3hiv s PRO 40 Cb -0.44 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 32.10 3hiv s PRO 40 CO 0.49 -1.10 -0.09 0.08 0.04 0.00 0.00 177.00 176.42 3hiv s VAL 41 N -2.99 0.76 0.32 -0.36 1.01 -1.25 -1.75 120.40 116.15 3hiv s VAL 41 Ca 0.59 -0.39 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 3hiv s VAL 41 Cb -0.14 -0.65 -0.12 0.00 0.00 0.00 0.00 36.38 35.47 3hiv s VAL 41 CO 0.53 0.22 1.47 -0.38 0.00 0.00 0.00 175.10 176.95 3hiv n ILE 42 N 2.98 1.50 -2.23 2.22 5.41 -0.42 -0.55 119.36 128.27 3hiv n ILE 42 Ca -0.15 -0.38 -0.41 0.00 1.00 0.00 0.00 62.75 62.82 3hiv n ILE 42 Cb 0.56 -1.82 -0.03 0.00 -0.71 0.00 0.00 39.64 37.64 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 -1.25 4.43 -0.09 0.38 2.20 -0.47 -4.31 119.74 120.63 3hiv s LYS 43 Ca 0.60 2.06 0.00 0.00 -0.36 0.00 0.00 55.97 58.27 3hiv s LYS 43 Cb -0.53 -3.15 0.02 0.00 -1.51 0.00 0.00 37.83 32.67 3hiv s LYS 43 CO 0.56 -0.14 -0.08 0.50 -0.36 0.00 0.00 175.35 175.83 3hiv s ARG 44 N -0.98 1.42 0.26 4.03 3.52 -1.26 -2.66 118.95 123.28 3hiv s ARG 44 Ca 0.51 -0.25 -0.25 0.00 -0.13 0.00 0.00 55.73 55.62 3hiv s ARG 44 Cb -0.37 -1.40 -0.09 0.00 -1.56 0.00 0.00 34.95 31.53 3hiv s ARG 44 CO 0.44 -0.17 0.85 -1.25 -0.81 0.00 0.00 175.30 174.36 3hiv s PRO 45 N 1.36 4.52 0.18 5.12 0.04 -1.26 -5.11 135.00 139.84 3hiv s PRO 45 Ca -0.02 1.19 0.08 0.00 0.04 0.00 0.00 61.00 62.29 3hiv s PRO 45 Cb -0.14 -2.96 -0.01 0.00 0.04 0.00 0.00 34.50 31.43 3hiv s PRO 45 CO -0.04 0.39 1.40 -0.24 0.04 0.00 0.00 177.00 178.55 3hiv h VAL 46 N 2.84 1.60 -4.09 -0.36 3.04 -1.87 -3.48 116.25 113.92 3hiv h VAL 46 Ca -0.47 -2.95 -0.03 0.00 -1.01 0.00 0.00 66.70 62.24 3hiv h VAL 46 Cb 1.20 2.60 -0.00 0.00 -2.01 0.00 0.00 31.29 33.07 3hiv h VAL 46 CO 0.66 0.84 -0.01 0.61 -1.01 0.00 0.00 177.57 178.65 3hiv n GLY 47 N 0.98 3.04 3.92 3.17 0.00 -1.26 -4.86 105.19 110.18 3hiv n GLY 47 Ca -0.00 -2.18 -0.29 0.00 0.00 0.00 0.00 46.02 43.55 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 -2.11 1.45 0.77 1.61 0.04 -1.26 -5.07 135.00 130.42 3hiv s PRO 48 Ca 0.02 -0.22 -0.12 0.00 0.04 0.00 0.00 61.00 60.72 3hiv s PRO 48 Cb -0.00 -1.96 0.05 0.00 0.04 0.00 0.00 34.50 32.63 3hiv s PRO 48 CO 0.01 -1.87 1.11 -1.25 0.04 0.00 0.00 177.00 175.04 3hiv s PRO 49 N -5.63 2.34 0.29 0.56 0.04 -1.26 -5.07 135.00 126.26 3hiv s PRO 49 Ca 0.67 0.51 0.10 0.00 0.04 0.00 0.00 61.00 62.31 3hiv s PRO 49 Cb -0.08 -1.96 0.43 0.00 0.04 0.00 0.00 34.50 32.93 3hiv s PRO 49 CO 0.50 -1.41 1.66 -0.22 0.04 0.00 0.00 177.00 177.57 3hiv h LYS 50 N -0.93 0.05 -5.84 4.56 3.64 -1.97 -3.46 116.57 112.62 3hiv h LYS 50 Ca -0.46 -0.03 -0.50 0.00 -1.27 0.00 0.00 60.65 58.39 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 0.58 -0.77 -0.06 -2.27 0.00 0.00 179.45 177.55 3hiv s PHE 51 N -3.79 1.77 0.36 1.91 0.40 -1.26 -0.99 117.98 116.38 3hiv s PHE 51 Ca -0.02 -0.49 0.09 0.00 -0.60 0.00 0.00 56.93 55.91 3hiv s PHE 51 Cb 0.13 -0.88 -0.07 0.00 0.51 0.00 0.00 43.02 42.71 3hiv s PHE 51 CO 0.76 0.32 -0.07 -0.48 0.70 0.00 0.00 175.22 176.45 3hiv s LEU 52 N -2.73 2.77 -0.15 -0.37 0.05 -0.10 -4.72 118.68 113.44 3hiv s LEU 52 Ca 0.16 -1.24 -0.05 0.00 0.05 0.00 0.00 54.13 53.05 3hiv s LEU 52 Cb -0.05 -0.97 -0.03 0.00 -2.05 0.00 0.00 46.19 43.08 3hiv s LEU 52 CO 0.06 -0.26 0.01 -0.60 -0.55 0.00 0.00 176.35 175.01 3hiv s ARG 53 N -3.63 3.60 -0.16 1.48 3.52 0.02 -1.12 118.95 122.65 3hiv s ARG 53 Ca 0.33 -0.42 -0.04 0.00 -0.13 0.00 0.00 55.73 55.47 3hiv s ARG 53 Cb 0.04 -3.00 -0.03 0.00 -1.56 0.00 0.00 34.95 30.41 3hiv s ARG 53 CO 0.17 0.39 -0.02 0.08 -0.81 0.00 0.00 175.30 175.11 3hiv s VAL 54 N -0.00 4.01 -0.21 7.11 1.01 -0.10 -1.15 120.40 131.08 3hiv s VAL 54 Ca 0.03 -0.31 -0.11 0.00 0.00 0.00 0.00 61.98 61.59 3hiv s VAL 54 Cb -0.13 -2.77 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 3hiv s VAL 54 CO 0.02 0.48 0.20 0.20 0.00 0.00 0.00 175.10 176.00 3hiv s ASN 55 N 0.42 6.24 -0.34 3.32 0.01 -0.26 0.12 114.94 124.46 3hiv s ASN 55 Ca -0.03 0.27 -0.06 0.00 -0.71 0.00 0.00 52.86 52.33 3hiv s ASN 55 Cb -0.14 -2.13 0.04 0.00 0.41 0.00 0.00 41.25 39.44 3hiv s ASN 55 CO 0.02 0.10 0.11 -0.76 -1.51 0.00 0.00 177.10 175.07 3hiv s LEU 56 N 0.71 4.38 -0.01 0.60 1.43 0.21 -1.63 118.68 124.37 3hiv s LEU 56 Ca 0.11 -1.19 -0.18 0.00 -1.03 0.00 0.00 54.13 51.84 3hiv s LEU 56 Cb -0.13 -1.87 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 3hiv s LEU 56 CO 0.02 -0.34 0.50 -0.54 0.23 0.00 0.00 176.35 176.22 3hiv s LYS 57 N 1.39 4.17 0.33 1.70 1.02 -0.76 -1.34 119.74 126.26 3hiv s LYS 57 Ca -0.01 0.57 0.05 0.00 0.02 0.00 0.00 55.97 56.59 3hiv s LYS 57 Cb -0.20 -3.30 -0.02 0.00 -0.52 0.00 0.00 37.83 33.79 3hiv s LYS 57 CO 0.02 0.48 0.33 0.00 -0.92 0.00 0.00 175.35 175.27 3hiv s ALA 58 N -0.48 1.57 0.10 5.17 0.00 -0.92 -0.71 121.76 126.48 3hiv s ALA 58 Ca 0.27 -1.93 -0.19 0.00 0.00 0.00 0.00 51.96 50.11 3hiv s ALA 58 Cb -0.17 1.39 -0.07 0.00 0.00 0.00 0.00 23.12 24.27 3hiv s ALA 58 CO 0.15 -0.70 1.61 1.03 0.00 0.00 0.00 175.76 177.85 3hiv h SER 59 N 2.13 0.35 1.09 0.00 0.87 -1.97 -3.24 113.55 112.78 3hiv h SER 59 Ca -0.26 -0.20 -0.14 0.00 -1.23 0.00 0.00 61.79 59.97 3hiv h SER 59 Cb 1.23 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 63.08 3hiv h SER 59 CO 0.37 0.46 -0.64 0.71 -0.53 0.00 0.00 176.83 177.20 3hiv h THR 60 N 0.22 1.20 0.00 2.23 1.35 -1.98 -3.49 112.91 112.45 3hiv h THR 60 Ca 0.08 -2.43 0.00 0.00 -0.55 0.00 0.00 66.41 63.50 3hiv h THR 60 Cb 0.23 2.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 3hiv h THR 60 CO -0.00 0.63 0.00 0.61 -0.25 0.00 0.00 175.52 176.51 3hiv n GLY 61 N 0.93 -0.97 3.46 5.82 0.00 -1.22 -4.95 105.19 108.25 3hiv n GLY 61 Ca 0.01 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.68 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 -3.00 3.29 -0.12 2.61 2.01 -1.26 -2.16 115.64 117.02 3hiv s THR 62 Ca 0.00 -0.61 -0.03 0.00 0.31 0.00 0.00 61.69 61.37 3hiv s THR 62 Cb 0.00 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.12 3hiv s THR 62 CO 0.00 0.56 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.78 3hiv s VAL 63 N -0.22 4.12 0.22 3.82 1.01 -0.45 -4.72 120.40 124.18 3hiv s VAL 63 Ca 0.02 -0.30 0.11 0.00 0.00 0.00 0.00 61.98 61.80 3hiv s VAL 63 Cb -0.13 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 3hiv s VAL 63 CO 0.03 0.55 -0.18 -0.44 0.00 0.00 0.00 175.10 175.05 3hiv s SER 64 N -0.25 3.73 0.02 3.32 0.01 -0.90 0.64 113.70 120.27 3hiv s SER 64 Ca 0.05 -0.83 0.06 0.00 1.31 0.00 0.00 55.95 56.54 3hiv s SER 64 Cb -0.12 -0.41 -0.02 0.00 0.21 0.00 0.00 66.02 65.67 3hiv s SER 64 CO 0.02 0.09 -0.17 -0.76 0.41 0.00 0.00 173.24 172.83 3hiv s LEU 65 N -2.98 2.12 -0.25 2.44 1.43 0.12 -0.40 118.68 121.16 3hiv s LEU 65 Ca 0.25 -0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 52.78 3hiv s LEU 65 Cb -0.07 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.29 3hiv s LEU 65 CO 0.13 0.13 0.31 0.00 0.23 0.00 0.00 176.35 177.15 3hiv s ALA 66 N -0.68 3.56 -0.14 4.21 0.00 -0.06 -0.93 121.76 127.74 3hiv s ALA 66 Ca 0.05 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.20 3hiv s ALA 66 Cb -0.08 -2.59 0.01 0.00 0.00 0.00 0.00 23.12 20.46 3hiv s ALA 66 CO 0.01 -0.50 -0.19 0.08 0.00 0.00 0.00 175.76 175.15 3hiv s VAL 67 N 1.72 1.87 -0.01 0.00 1.01 -0.28 -0.80 120.40 123.91 3hiv s VAL 67 Ca 0.13 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 60.95 3hiv s VAL 67 Cb -0.15 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 3hiv s VAL 67 CO 0.09 0.51 1.17 -1.58 0.00 0.00 0.00 175.10 175.29 3hiv s GLN 68 N 0.96 4.41 0.30 2.72 0.74 0.17 -0.92 119.66 128.04 3hiv s GLN 68 Ca -0.05 1.66 0.14 0.00 0.05 0.00 0.00 55.36 57.16 3hiv s GLN 68 Cb -0.15 -3.47 0.39 0.00 1.10 0.00 0.00 33.01 30.87 3hiv s GLN 68 CO -0.04 -0.33 1.60 0.00 -0.55 0.00 0.00 175.29 175.97 3hiv h ARG 69 N 7.15 0.00 0.00 1.67 3.08 -1.38 0.15 114.38 125.04 3hiv h ARG 69 Ca -0.37 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.65 3hiv h ARG 69 Cb 1.19 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.23 3hiv h ARG 69 CO 0.84 0.55 -0.11 0.66 -1.07 0.00 0.00 179.97 180.84 3hiv h SER 70 N 0.00 0.00 0.00 7.04 4.64 -1.92 -3.37 113.55 119.94 3hiv h SER 70 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3hiv h SER 70 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3hiv h SER 70 CO 0.07 0.11 -0.09 -0.46 -0.87 0.00 0.00 176.83 175.59 3hiv n ASN 71 N -3.20 0.00 -2.04 4.97 2.04 -1.22 -4.72 115.26 111.09 3hiv n ASN 71 Ca 0.01 -1.18 -0.16 0.00 -0.44 0.00 0.00 54.58 52.81 3hiv n ASN 71 Cb 0.43 -0.04 -0.03 0.00 -2.53 0.00 0.00 39.78 37.61 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 -1.36 -4.76 -4.53 4.77 0.50 -4.96 117.00 106.66 3hiv n LEU 72 Ca 0.00 0.22 -0.40 0.00 -0.03 0.00 0.00 56.01 55.80 3hiv n LEU 72 Cb 0.54 -2.42 -0.04 0.00 -2.33 0.00 0.00 43.42 39.17 3hiv n LEU 72 CO 0.00 -0.44 0.85 -0.31 -1.33 0.00 0.00 177.39 176.16 3hiv s TYR 73 N -2.62 3.39 -0.16 -1.77 2.02 -1.23 -4.63 117.35 112.34 3hiv s TYR 73 Ca 0.00 1.61 -0.19 0.00 -0.37 0.00 0.00 57.07 58.12 3hiv s TYR 73 Cb 0.00 -3.40 -0.03 0.00 -0.40 0.00 0.00 41.96 38.13 3hiv s TYR 73 CO 0.00 -0.97 0.54 0.08 -1.57 0.00 0.00 175.55 173.63 3hiv s VAL 74 N -1.18 5.11 -0.11 0.71 1.01 -1.26 0.46 120.40 125.14 3hiv s VAL 74 Ca 0.47 1.04 0.10 0.00 0.00 0.00 0.00 61.98 63.59 3hiv s VAL 74 Cb -0.34 -3.87 -0.14 0.00 0.00 0.00 0.00 36.38 32.03 3hiv s VAL 74 CO 0.44 0.21 0.04 0.00 0.00 0.00 0.00 175.10 175.80 3hiv n ALA 75 N 4.42 1.75 -3.49 5.51 0.00 0.02 -4.95 120.51 123.77 3hiv n ALA 75 Ca -0.04 -0.72 -0.13 0.00 0.00 0.00 0.00 53.44 52.55 3hiv n ALA 75 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.92 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 -2.28 -1.75 0.16 0.00 0.00 -1.24 -1.52 121.76 115.13 3hiv s ALA 76 Ca -0.05 1.04 0.05 0.00 0.00 0.00 0.00 51.96 52.99 3hiv s ALA 76 Cb 0.03 0.26 -0.05 0.00 0.00 0.00 0.00 23.12 23.37 3hiv s ALA 76 CO 0.45 -0.55 -0.11 1.52 0.00 0.00 0.00 175.76 177.08 3hiv s TYR 77 N -2.34 1.37 -0.10 0.00 1.13 -0.14 -0.88 117.35 116.40 3hiv s TYR 77 Ca -0.03 -0.73 0.03 0.00 -1.41 0.00 0.00 57.07 54.93 3hiv s TYR 77 Cb -0.01 -0.68 0.01 0.00 -1.10 0.00 0.00 41.96 40.18 3hiv s TYR 77 CO -0.02 0.14 -0.19 -1.17 -2.51 0.00 0.00 175.55 171.80 3hiv s LEU 78 N -3.20 1.89 -0.15 -3.49 2.96 0.46 -0.81 118.68 116.33 3hiv s LEU 78 Ca 0.18 -0.46 -0.16 0.00 -0.22 0.00 0.00 54.13 53.47 3hiv s LEU 78 Cb 0.02 -1.18 0.04 0.00 0.50 0.00 0.00 46.19 45.57 3hiv s LEU 78 CO 0.02 0.08 0.44 0.00 -1.32 0.00 0.00 176.35 175.57 3hiv s ALA 79 N 0.62 -1.08 0.31 5.97 0.00 -0.80 -2.11 121.76 124.67 3hiv s ALA 79 Ca -0.14 1.19 -0.29 0.00 0.00 0.00 0.00 51.96 52.72 3hiv s ALA 79 Cb -0.16 -0.66 -0.10 0.00 0.00 0.00 0.00 23.12 22.19 3hiv s ALA 79 CO 0.04 -0.21 1.40 0.15 0.00 0.00 0.00 175.76 177.14 3hiv s LYS 80 N 0.11 4.26 0.32 0.00 1.02 -1.26 -1.86 119.74 122.33 3hiv s LYS 80 Ca -0.01 2.34 -0.03 0.00 0.02 0.00 0.00 55.97 58.29 3hiv s LYS 80 Cb -0.03 -3.06 0.07 0.00 -0.52 0.00 0.00 37.83 34.29 3hiv s LYS 80 CO 0.01 -0.36 0.44 0.27 -0.92 0.00 0.00 175.35 174.79 3hiv n ASN 81 N 1.29 0.30 -0.26 2.83 0.23 0.29 -1.12 115.26 118.81 3hiv n ASN 81 Ca 0.03 -1.32 0.10 0.00 -0.53 0.00 0.00 54.58 52.85 3hiv n ASN 81 Cb 0.40 -0.31 0.20 0.00 -2.08 0.00 0.00 39.78 37.99 3hiv n ASN 81 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3hiv n ASN 82 N -3.13 -0.12 -0.65 0.53 5.15 -1.03 -1.10 115.26 114.91 3hiv n ASN 82 Ca 0.06 1.28 0.09 0.00 -0.60 0.00 0.00 54.58 55.41 3hiv n ASN 82 Cb 0.22 -0.45 0.29 0.00 -0.53 0.00 0.00 39.78 39.31 3hiv n ASN 82 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3hiv n ASN 83 N -5.08 1.92 -1.12 1.20 3.02 -1.26 -4.88 115.26 109.06 3hiv n ASN 83 Ca 0.17 -1.84 -0.12 0.00 -0.03 0.00 0.00 54.58 52.76 3hiv n ASN 83 Cb 0.54 -0.17 -0.03 0.00 -0.61 0.00 0.00 39.78 39.51 3hiv n ASN 83 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3hiv n LYS 84 N 0.51 -0.89 -3.75 3.52 4.76 -0.26 -5.02 118.16 117.02 3hiv n LYS 84 Ca 0.15 0.78 -0.37 0.00 -2.87 0.00 0.00 58.31 55.99 3hiv n LYS 84 Cb 0.34 -4.86 -0.06 0.00 -1.84 0.00 0.00 35.03 28.62 3hiv n LYS 84 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3hiv s GLN 85 N -3.71 3.62 0.39 1.97 -0.21 -1.26 -4.80 119.66 115.65 3hiv s GLN 85 Ca 0.00 0.04 -0.24 0.00 0.02 0.00 0.00 55.36 55.18 3hiv s GLN 85 Cb 0.00 -3.21 -0.09 0.00 1.00 0.00 0.00 33.01 30.71 3hiv s GLN 85 CO 0.00 0.73 1.04 -0.06 -2.12 0.00 0.00 175.29 174.88 3hiv s PHE 86 N -0.99 3.32 -0.15 0.91 0.08 -1.26 -0.55 117.98 119.34 3hiv s PHE 86 Ca 0.18 1.66 -0.09 0.00 0.12 0.00 0.00 56.93 58.79 3hiv s PHE 86 Cb -0.13 -3.11 0.05 0.00 -0.57 0.00 0.00 43.02 39.26 3hiv s PHE 86 CO 0.07 -0.53 0.37 0.50 -0.10 0.00 0.00 175.22 175.53 3hiv s ARG 87 N -2.44 0.37 -0.07 0.44 3.52 -0.77 -4.79 118.95 115.21 3hiv s ARG 87 Ca 0.57 0.69 -0.05 0.00 -0.13 0.00 0.00 55.73 56.81 3hiv s ARG 87 Cb -0.22 0.01 -0.04 0.00 -1.56 0.00 0.00 34.95 33.15 3hiv s ARG 87 CO 0.27 -0.14 0.14 0.00 -0.81 0.00 0.00 175.30 174.76 3hiv s ALA 88 N 1.11 3.83 -0.04 6.12 0.00 -0.28 -1.90 121.76 130.60 3hiv s ALA 88 Ca -0.07 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.20 3hiv s ALA 88 Cb -0.07 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.18 3hiv s ALA 88 CO -0.09 0.67 -0.14 0.71 0.00 0.00 0.00 175.76 176.91 3hiv s TYR 89 N -1.13 1.41 0.09 0.00 1.51 0.01 -0.98 117.35 118.26 3hiv s TYR 89 Ca 0.20 -0.41 0.07 0.00 -1.01 0.00 0.00 57.07 55.92 3hiv s TYR 89 Cb -0.12 -0.98 -0.03 0.00 -0.11 0.00 0.00 41.96 40.72 3hiv s TYR 89 CO 0.10 -0.16 -0.19 1.52 -1.11 0.00 0.00 175.55 175.70 3hiv s TYR 90 N 0.17 1.67 0.55 2.71 1.13 -0.70 -0.96 117.35 121.92 3hiv s TYR 90 Ca -0.05 -0.42 -0.22 0.00 -1.41 0.00 0.00 57.07 54.98 3hiv s TYR 90 Cb -0.11 -0.93 -0.05 0.00 -1.10 0.00 0.00 41.96 39.77 3hiv s TYR 90 CO 0.02 0.16 1.36 -0.06 -2.51 0.00 0.00 175.55 174.52 3hiv s PHE 91 N -1.13 2.27 -0.02 -3.49 0.08 -0.57 -0.89 117.98 114.23 3hiv s PHE 91 Ca 0.05 1.37 -0.35 0.00 0.12 0.00 0.00 56.93 58.12 3hiv s PHE 91 Cb -0.10 -3.81 -0.14 0.00 -0.57 0.00 0.00 43.02 38.40 3hiv s PHE 91 CO 0.04 -2.94 1.70 1.17 -0.10 0.00 0.00 175.22 175.09 3hiv n LYS 92 N -1.04 1.90 -0.83 0.44 4.81 0.44 -1.65 118.16 122.23 3hiv n LYS 92 Ca 0.10 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 58.24 3hiv n LYS 92 Cb 0.45 -2.47 0.00 0.00 0.02 0.00 0.00 35.03 33.03 3hiv n LYS 92 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hiv n GLY 93 N 3.85 1.03 3.75 3.14 0.00 -1.26 -4.44 105.19 111.25 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 -3.48 3.07 -1.23 1.61 2.19 -0.66 -4.90 117.98 114.58 3hiv s PHE 94 Ca 0.00 1.12 -0.18 0.00 0.33 0.00 0.00 56.93 58.20 3hiv s PHE 94 Cb 0.00 -3.76 -0.01 0.00 -1.31 0.00 0.00 43.02 37.94 3hiv s PHE 94 CO 0.00 -2.39 1.95 1.04 1.83 0.00 0.00 175.22 177.65 3hiv n GLN 95 N 2.16 2.49 -3.78 10.12 6.02 -1.26 -4.86 117.38 128.27 3hiv n GLN 95 Ca 0.06 -2.67 -0.21 0.00 -0.01 0.00 0.00 57.00 54.16 3hiv n GLN 95 Cb 0.41 -3.38 -0.17 0.00 1.02 0.00 0.00 30.24 28.11 3hiv n GLN 95 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 3hiv s ILE 96 N 5.39 0.18 0.48 5.09 2.07 -1.26 -5.16 121.20 127.99 3hiv s ILE 96 Ca 0.55 0.21 -0.14 0.00 -1.41 0.00 0.00 60.65 59.87 3hiv s ILE 96 Cb 0.08 -0.36 -0.07 0.00 0.13 0.00 0.00 42.46 42.24 3hiv s ILE 96 CO 0.05 0.21 0.90 0.42 -1.91 0.00 0.00 174.94 174.61 3hiv s THR 97 N 1.83 4.65 0.44 4.00 -4.23 -1.26 -4.92 115.64 116.14 3hiv s THR 97 Ca 0.02 0.93 0.26 0.00 -1.18 0.00 0.00 61.69 61.72 3hiv s THR 97 Cb -0.12 -3.74 0.28 0.00 1.34 0.00 0.00 72.50 70.26 3hiv s THR 97 CO -0.04 -0.65 2.08 0.71 -0.54 0.00 0.00 174.62 176.18 3hiv h THR 98 N 0.90 0.64 -0.54 3.99 1.35 -2.01 -0.77 112.91 116.47 3hiv h THR 98 Ca -0.47 -0.49 -0.07 0.00 -0.55 0.00 0.00 66.41 64.83 3hiv h THR 98 Cb 1.19 1.31 -0.02 0.00 -1.73 0.00 0.00 68.15 68.89 3hiv h THR 98 CO 0.62 0.11 0.06 0.78 -0.25 0.00 0.00 175.52 176.85 3hiv h ASN 99 N 0.00 0.83 -0.27 5.36 2.35 -1.98 0.48 115.58 122.35 3hiv h ASN 99 Ca -0.00 -0.19 -0.07 0.00 -0.55 0.00 0.00 56.30 55.49 3hiv h ASN 99 Cb 0.30 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3hiv h ASN 99 CO 0.02 0.86 -0.11 1.56 -1.65 0.00 0.00 177.43 178.10 3hiv h GLN 100 N 0.83 0.56 -0.37 0.81 4.20 -1.54 -1.34 115.11 118.25 3hiv h GLN 100 Ca 0.17 -0.24 0.04 0.00 0.06 0.00 0.00 58.65 58.68 3hiv h GLN 100 Cb 0.40 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.13 3hiv h GLN 100 CO 0.01 0.79 0.15 -0.07 -0.67 0.00 0.00 178.83 179.04 3hiv h LEU 101 N 0.30 0.19 -1.16 1.46 3.38 -1.26 0.30 115.31 118.51 3hiv h LEU 101 Ca 0.06 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.17 3hiv h LEU 101 Cb 0.62 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.30 3hiv h LEU 101 CO 0.04 0.14 0.59 0.78 0.09 0.00 0.00 178.44 180.08 3hiv h ASN 102 N 0.31 0.82 -0.09 -0.43 2.35 -0.74 0.49 115.58 118.31 3hiv h ASN 102 Ca 0.16 0.03 -0.15 0.00 -0.55 0.00 0.00 56.30 55.79 3hiv h ASN 102 Cb 0.12 -0.14 0.01 0.00 0.05 0.00 0.00 38.32 38.36 3hiv h ASN 102 CO -0.15 0.46 -0.54 -1.13 -1.65 0.00 0.00 177.43 174.43 3hiv h ASN 103 N 0.89 0.62 -0.23 5.81 -0.00 -0.62 -3.13 115.58 118.92 3hiv h ASN 103 Ca 0.44 -0.66 -0.11 0.00 -0.00 0.00 0.00 56.30 55.96 3hiv h ASN 103 Cb 0.46 -0.18 -0.00 0.00 -0.00 0.00 0.00 38.32 38.59 3hiv h ASN 103 CO -0.20 1.19 -0.29 -0.07 -0.00 0.00 0.00 177.43 178.06 3hiv h LEU 104 N 0.10 0.65 -6.28 0.34 3.38 0.12 -3.39 115.31 110.22 3hiv h LEU 104 Ca -0.04 -0.50 -0.60 0.00 0.09 0.00 0.00 57.88 56.83 3hiv h LEU 104 Cb 1.19 -0.18 -0.41 0.00 0.09 0.00 0.00 40.66 41.34 3hiv h LEU 104 CO 0.11 1.02 -0.68 0.49 0.09 0.00 0.00 178.44 179.47 3hiv n PHE 105 N -4.32 2.85 0.29 1.13 3.72 0.17 -4.91 117.46 116.39 3hiv n PHE 105 Ca -0.05 -4.06 0.18 0.00 -0.05 0.00 0.00 57.45 53.47 3hiv n PHE 105 Cb 0.47 -0.51 0.91 0.00 -0.94 0.00 0.00 39.48 39.40 3hiv n PHE 105 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3hiv h PRO 106 N 4.35 0.00 0.00 -1.08 0.11 -1.75 0.28 132.00 133.90 3hiv h PRO 106 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3hiv h PRO 106 Cb 0.71 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.82 3hiv h PRO 106 CO 0.75 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.47 3hiv h GLU 107 N 0.00 0.00 -1.96 1.05 3.07 -1.91 -3.33 114.58 111.50 3hiv h GLU 107 Ca 0.03 0.00 -0.50 0.00 -0.50 0.00 0.00 59.36 58.39 3hiv h GLU 107 Cb 0.53 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 28.03 3hiv h GLU 107 CO -0.00 0.00 -1.04 0.00 -1.40 0.00 0.00 179.01 176.57 3hiv n ALA 108 N -1.81 2.92 -2.28 3.43 0.00 0.97 -4.60 120.51 119.15 3hiv n ALA 108 Ca 0.02 -3.74 -0.41 0.00 0.00 0.00 0.00 53.44 49.31 3hiv n ALA 108 Cb 0.22 -0.87 -0.04 0.00 0.00 0.00 0.00 19.45 18.76 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 -3.12 4.48 0.00 0.00 2.01 -1.25 -4.65 115.64 113.11 3hiv s THR 109 Ca 0.41 2.04 0.00 0.00 0.31 0.00 0.00 61.69 64.46 3hiv s THR 109 Cb 0.34 -4.30 0.00 0.00 0.01 0.00 0.00 72.50 68.55 3hiv s THR 109 CO -0.09 0.30 0.00 0.61 -0.69 0.00 0.00 174.62 174.76 3hiv n GLY 110 N 2.28 0.25 0.25 4.40 0.00 -1.26 -4.43 105.19 106.69 3hiv n GLY 110 Ca 0.03 -1.73 0.15 0.00 0.00 0.00 0.00 46.02 44.46 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 0.07 0.00 1.61 -1.51 -1.91 -1.58 116.25 112.93 3hiv h VAL 111 Ca 0.00 -0.73 0.00 0.00 -1.23 0.00 0.00 66.70 64.74 3hiv h VAL 111 Cb 0.00 1.68 0.00 0.00 -2.13 0.00 0.00 31.29 30.84 3hiv h VAL 111 CO 0.00 0.03 0.00 -1.54 -1.23 0.00 0.00 177.57 174.83 3hiv n SER 112 N -3.13 0.00 -0.55 4.19 3.41 -1.26 -2.57 113.62 113.71 3hiv n SER 112 Ca 0.01 0.49 0.06 0.00 -0.26 0.00 0.00 58.87 59.17 3hiv n SER 112 Cb 0.39 -0.50 0.15 0.00 -0.26 0.00 0.00 64.21 63.99 3hiv n SER 112 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hiv n ASN 113 N -1.50 2.95 -3.87 4.04 3.02 -0.60 -4.98 115.26 114.33 3hiv n ASN 113 Ca 0.05 -2.33 -0.20 0.00 -0.03 0.00 0.00 54.58 52.07 3hiv n ASN 113 Cb 0.24 -0.28 -0.17 0.00 -0.61 0.00 0.00 39.78 38.96 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 -1.58 0.77 -0.07 3.52 -0.21 -1.06 -1.12 119.66 119.90 3hiv s GLN 114 Ca 0.24 -0.06 -0.00 0.00 0.02 0.00 0.00 55.36 55.56 3hiv s GLN 114 Cb 0.16 -0.86 0.03 0.00 1.00 0.00 0.00 33.01 33.34 3hiv s GLN 114 CO 0.10 -0.13 -0.03 -1.14 -2.12 0.00 0.00 175.29 171.98 3hiv s GLN 115 N 1.13 0.88 0.09 2.91 0.74 -0.15 -4.85 119.66 120.41 3hiv s GLN 115 Ca -0.08 -0.03 -0.31 0.00 0.05 0.00 0.00 55.36 54.99 3hiv s GLN 115 Cb -0.14 -1.08 -0.07 0.00 1.10 0.00 0.00 33.01 32.82 3hiv s GLN 115 CO -0.01 -0.23 1.28 -2.00 -0.55 0.00 0.00 175.29 173.77 3hiv s GLU 116 N 1.63 4.39 0.61 1.67 2.12 -1.26 -1.72 118.70 126.14 3hiv s GLU 116 Ca 0.01 1.90 -0.17 0.00 0.36 0.00 0.00 54.97 57.08 3hiv s GLU 116 Cb -0.13 -3.30 -0.02 0.00 0.26 0.00 0.00 34.13 30.94 3hiv s GLU 116 CO -0.04 -0.32 1.11 -0.51 -0.54 0.00 0.00 175.26 174.96 3hiv s LEU 117 N 0.98 3.52 0.00 2.70 1.43 -0.07 -4.91 118.68 122.33 3hiv s LEU 117 Ca 0.61 2.05 0.17 0.00 -1.03 0.00 0.00 54.13 55.93 3hiv s LEU 117 Cb -0.33 -4.56 0.92 0.00 0.03 0.00 0.00 46.19 42.25 3hiv s LEU 117 CO 0.30 -1.46 1.50 0.61 0.23 0.00 0.00 176.35 177.53 3hiv n GLY 118 N -0.31 -0.78 3.18 -3.19 0.00 -1.26 -3.58 105.19 99.26 3hiv n GLY 118 Ca 0.11 -0.09 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.42 1.13 0.79 1.61 1.13 -1.26 -4.90 117.35 113.43 3hiv s TYR 119 Ca 0.19 -0.60 -0.05 0.00 -1.41 0.00 0.00 57.07 55.20 3hiv s TYR 119 Cb 0.12 -0.62 0.15 0.00 -1.10 0.00 0.00 41.96 40.51 3hiv s TYR 119 CO 0.25 0.03 1.09 0.20 -2.51 0.00 0.00 175.55 174.61 3hiv s GLY 120 N -2.30 1.76 0.02 5.49 0.00 -1.26 -0.42 107.32 110.61 3hiv s GLY 120 Ca 0.04 -1.56 0.24 0.00 0.00 0.00 0.00 44.72 43.45 3hiv s GLY 120 CO 0.01 -0.94 1.77 1.18 0.00 0.00 0.00 173.10 175.12 3hiv n GLU 121 N -3.10 0.02 -2.70 2.90 4.71 -1.26 -4.14 120.64 117.06 3hiv n GLU 121 Ca 0.15 0.10 -0.34 0.00 -0.01 0.00 0.00 57.16 57.06 3hiv n GLU 121 Cb 0.60 -1.53 -0.06 0.00 -1.01 0.00 0.00 31.44 29.45 3hiv n GLU 121 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 3hiv s SER 122 N -3.11 6.72 0.22 1.62 1.04 -1.26 -4.88 113.70 114.05 3hiv s SER 122 Ca 0.11 1.80 -0.12 0.00 0.48 0.00 0.00 55.95 58.23 3hiv s SER 122 Cb 0.15 -2.55 0.29 0.00 0.10 0.00 0.00 66.02 64.02 3hiv s SER 122 CO 0.45 -0.52 1.62 1.88 0.98 0.00 0.00 173.24 177.65 3hiv h TYR 123 N 1.84 -0.28 -0.44 5.02 0.05 -1.99 -0.51 116.97 120.66 3hiv h TYR 123 Ca -0.49 0.06 -0.02 0.00 0.05 0.00 0.00 58.73 58.32 3hiv h TYR 123 Cb 1.20 0.23 -0.02 0.00 1.01 0.00 0.00 36.73 39.15 3hiv h TYR 123 CO 0.60 -0.27 0.18 -1.35 -1.05 0.00 0.00 178.16 176.26 3hiv h PRO 124 N 0.02 0.62 0.03 4.88 0.11 -1.96 0.20 132.00 135.92 3hiv h PRO 124 Ca 0.34 -0.08 -0.00 0.00 0.11 0.00 0.00 66.00 66.36 3hiv h PRO 124 Cb 0.54 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.53 3hiv h PRO 124 CO -0.68 0.52 -0.02 1.96 -0.21 0.00 0.00 178.00 179.57 3hiv h GLN 125 N 0.62 -0.04 -0.37 1.05 1.08 -1.57 -1.74 115.11 114.15 3hiv h GLN 125 Ca 0.15 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.31 3hiv h GLN 125 Cb 0.12 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 3hiv h GLN 125 CO -0.02 0.21 0.04 0.82 -0.95 0.00 0.00 178.83 178.93 3hiv h ILE 126 N -0.30 1.25 -0.58 2.54 2.04 -0.81 -1.75 117.51 119.90 3hiv h ILE 126 Ca -0.00 -0.90 0.09 0.00 1.00 0.00 0.00 64.86 65.04 3hiv h ILE 126 Cb 0.28 1.12 -0.07 0.00 -0.74 0.00 0.00 36.82 37.41 3hiv h ILE 126 CO 0.01 0.30 0.21 1.56 0.00 0.00 0.00 178.15 180.24 3hiv h GLN 127 N 0.45 0.38 -0.49 2.37 4.20 -0.65 0.37 115.11 121.74 3hiv h GLN 127 Ca 0.11 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 3hiv h GLN 127 Cb 0.40 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 3hiv h GLN 127 CO 0.01 0.25 0.09 -0.97 -0.67 0.00 0.00 178.83 177.55 3hiv h ASN 128 N 0.40 0.77 -0.93 1.46 -1.24 -1.15 0.24 115.58 115.13 3hiv h ASN 128 Ca 0.29 -0.25 -0.00 0.00 0.71 0.00 0.00 56.30 57.05 3hiv h ASN 128 Cb 0.34 -0.20 -0.05 0.00 0.73 0.00 0.00 38.32 39.14 3hiv h ASN 128 CO -0.29 0.83 0.58 0.00 -1.29 0.00 0.00 177.43 177.26 3hiv h ALA 129 N 0.98 1.27 0.00 1.57 0.00 -0.85 -3.05 119.26 119.17 3hiv h ALA 129 Ca 0.15 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3hiv h ALA 129 Cb 0.37 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3hiv h ALA 129 CO 0.01 0.65 -0.69 0.00 0.00 0.00 0.00 179.25 179.21 3hiv h ALA 130 N 1.36 0.76 0.00 0.00 0.00 0.18 -3.37 119.26 118.20 3hiv h ALA 130 Ca 0.34 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3hiv h ALA 130 Cb -0.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3hiv h ALA 130 CO -0.07 0.87 0.00 0.41 0.00 0.00 0.00 179.25 180.46 3hiv n GLY 131 N 0.67 0.47 3.30 0.00 0.00 0.81 -4.82 105.19 105.62 3hiv n GLY 131 Ca -0.00 -0.32 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 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 0.03 0.42 1.61 0.11 -1.11 -5.04 120.40 114.42 3hiv s VAL 132 Ca 0.00 -0.26 -0.04 0.00 -2.93 0.00 0.00 61.98 58.75 3hiv s VAL 132 Cb 0.00 -0.66 -0.04 0.00 -1.53 0.00 0.00 36.38 34.15 3hiv s VAL 132 CO 0.00 -0.14 0.69 0.42 -3.33 0.00 0.00 175.10 172.73 3hiv s THR 133 N -0.84 4.98 0.30 5.04 -4.23 -1.26 -4.52 115.64 115.10 3hiv s THR 133 Ca -0.09 -0.01 0.02 0.00 -1.18 0.00 0.00 61.69 60.43 3hiv s THR 133 Cb -0.04 -3.85 0.36 0.00 1.34 0.00 0.00 72.50 70.32 3hiv s THR 133 CO 0.04 -0.69 1.60 0.03 -0.54 0.00 0.00 174.62 175.06 3hiv h ARG 134 N 0.58 0.07 -0.28 3.99 3.08 -1.97 0.07 114.38 119.92 3hiv h ARG 134 Ca -0.48 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.53 3hiv h ARG 134 Cb 1.21 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 3hiv h ARG 134 CO 0.62 0.05 0.03 1.96 -1.07 0.00 0.00 179.97 181.56 3hiv h GLN 135 N 0.07 0.46 -0.27 0.04 4.20 -1.94 -2.87 115.11 114.81 3hiv h GLN 135 Ca 0.58 -0.13 -0.13 0.00 0.06 0.00 0.00 58.65 59.03 3hiv h GLN 135 Cb 1.20 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 3hiv h GLN 135 CO -0.81 0.59 -0.36 1.96 -0.67 0.00 0.00 178.83 179.54 3hiv h GLN 136 N 0.27 0.60 -0.29 1.46 4.20 -1.80 -2.64 115.11 116.91 3hiv h GLN 136 Ca 0.08 -0.29 -0.04 0.00 0.06 0.00 0.00 58.65 58.47 3hiv h GLN 136 Cb 0.36 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 3hiv h GLN 136 CO 0.01 0.87 0.01 0.00 -0.67 0.00 0.00 178.83 179.05 3hiv h ALA 137 N 1.10 1.48 -1.38 3.87 0.00 -0.83 -3.48 119.26 120.03 3hiv h ALA 137 Ca 0.05 -0.17 0.16 0.00 0.00 0.00 0.00 54.91 54.96 3hiv h ALA 137 Cb 0.85 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3hiv h ALA 137 CO 0.07 0.38 -0.22 0.41 0.00 0.00 0.00 179.25 179.89 3hiv n GLY 138 N -0.99 -2.08 3.10 0.00 0.00 -1.10 -5.02 105.19 99.10 3hiv n GLY 138 Ca 0.01 -1.36 -0.09 0.00 0.00 0.00 0.00 46.02 44.58 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 2.01 0.00 0.99 1.43 0.26 -4.92 118.68 118.44 3hiv s LEU 139 Ca 0.00 -0.68 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 3hiv s LEU 139 Cb 0.00 0.48 0.00 0.00 0.03 0.00 0.00 46.19 46.70 3hiv s LEU 139 CO 0.00 -0.53 0.00 0.61 0.23 0.00 0.00 176.35 176.66 3hiv n GLY 140 N 0.59 3.50 0.12 -3.19 0.00 -1.26 -1.26 105.19 103.70 3hiv n GLY 140 Ca -0.18 -1.25 -0.10 0.00 0.00 0.00 0.00 46.02 44.49 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 1.00 1.15 -0.31 -0.61 1.08 -1.91 -1.13 117.51 116.78 3hiv h ILE 141 Ca 0.00 -0.43 -0.10 0.00 -0.39 0.00 0.00 64.86 63.93 3hiv h ILE 141 Cb 0.00 1.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.77 3hiv h ILE 141 CO 0.00 0.15 -0.23 0.11 -0.69 0.00 0.00 178.15 177.48 3hiv h LYS 142 N 0.21 0.59 -0.16 2.37 1.57 -1.93 0.18 116.57 119.40 3hiv h LYS 142 Ca 0.07 -0.22 0.04 0.00 -1.87 0.00 0.00 60.65 58.67 3hiv h LYS 142 Cb 0.14 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.37 3hiv h LYS 142 CO -0.01 0.78 -0.13 0.87 -0.57 0.00 0.00 179.45 180.38 3hiv h LYS 143 N 0.52 -0.14 0.34 3.15 1.79 -1.81 0.14 116.57 120.55 3hiv h LYS 143 Ca 0.08 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.55 3hiv h LYS 143 Cb 0.68 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.36 3hiv h LYS 143 CO 0.05 -0.10 -0.23 1.25 -1.08 0.00 0.00 179.45 179.35 3hiv h LEU 144 N -0.15 -0.58 -0.18 2.94 5.85 -0.68 -0.64 115.31 121.87 3hiv h LEU 144 Ca 0.10 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.90 3hiv h LEU 144 Cb 0.30 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 3hiv h LEU 144 CO -0.25 -0.36 -0.04 0.00 -0.34 0.00 0.00 178.44 177.45 3hiv h ALA 145 N 0.06 0.12 -0.22 1.25 0.00 -0.86 0.11 119.26 119.72 3hiv h ALA 145 Ca -0.03 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3hiv h ALA 145 Cb 0.47 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 3hiv h ALA 145 CO 0.02 -0.47 -0.10 1.49 0.00 0.00 0.00 179.25 180.18 3hiv h GLU 146 N 0.01 -0.07 -0.31 0.00 4.57 -0.54 -1.77 114.58 116.47 3hiv h GLU 146 Ca 0.08 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 3hiv h GLU 146 Cb 0.13 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 3hiv h GLU 146 CO -0.18 -0.04 0.16 0.66 -1.18 0.00 0.00 179.01 178.43 3hiv h SER 147 N -0.07 0.37 0.38 1.04 4.64 -0.30 -2.40 113.55 117.20 3hiv h SER 147 Ca 0.12 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.35 3hiv h SER 147 Cb 0.25 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 3hiv h SER 147 CO -0.27 0.31 -0.32 -0.03 -0.87 0.00 0.00 176.83 175.66 3hiv h MET 148 N 0.43 0.00 0.00 4.77 1.85 0.07 -2.53 114.93 119.51 3hiv h MET 148 Ca 0.11 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.20 3hiv h MET 148 Cb 0.03 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.06 3hiv h MET 148 CO -0.02 0.32 0.00 1.79 -0.40 0.00 0.00 176.91 178.60 3hiv h THR 149 N 0.00 0.00 -0.04 -0.77 1.35 -1.06 -1.47 112.91 110.92 3hiv h THR 149 Ca -0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 3hiv h THR 149 Cb 0.59 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 3hiv h THR 149 CO 0.04 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.60 3hiv n LYS 150 N -2.95 1.30 0.00 4.72 4.76 -0.95 -3.85 118.16 121.18 3hiv n LYS 150 Ca -0.02 -0.44 0.00 0.00 -2.87 0.00 0.00 58.31 54.97 3hiv n LYS 150 Cb 0.09 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 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 -0.40 0.00 -2.80 -0.18 0.24 -0.61 -4.62 118.33 109.96 3hiv n VAL 151 Ca 0.18 -0.03 -0.43 0.00 -2.04 0.00 0.00 64.34 62.02 3hiv n VAL 151 Cb 0.19 0.35 -0.03 0.00 -1.47 0.00 0.00 33.84 32.88 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 -1.03 6.42 -0.92 -1.34 3.84 -0.87 -3.88 114.94 117.16 3hiv s ASN 152 Ca 0.00 -1.46 -0.01 0.00 0.21 0.00 0.00 52.86 51.60 3hiv s ASN 152 Cb 0.00 -2.45 0.00 0.00 -0.55 0.00 0.00 41.25 38.25 3hiv s ASN 152 CO 0.00 -1.34 0.08 0.61 -2.79 0.00 0.00 177.10 173.67 3hiv n GLY 153 N 5.71 -0.05 3.34 1.21 0.00 -0.27 -4.86 105.19 110.27 3hiv n GLY 153 Ca 0.15 -0.39 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.63 0.95 0.40 1.61 -7.23 -1.21 -4.33 120.40 107.96 3hiv s VAL 154 Ca 0.04 -2.02 -0.26 0.00 -1.81 0.00 0.00 61.98 57.93 3hiv s VAL 154 Cb -0.02 -2.47 -0.10 0.00 0.56 0.00 0.00 36.38 34.35 3hiv s VAL 154 CO 0.05 -0.21 1.34 0.00 -0.31 0.00 0.00 175.10 175.97 3hiv n ALA 155 N -0.47 1.61 -2.30 1.32 0.00 -1.26 -2.47 120.51 116.95 3hiv n ALA 155 Ca -0.04 0.30 -0.42 0.00 0.00 0.00 0.00 53.44 53.28 3hiv n ALA 155 Cb 0.65 -2.31 -0.03 0.00 0.00 0.00 0.00 19.45 17.76 3hiv n ALA 155 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3hiv s ARG 156 N -2.15 4.35 -0.15 0.00 3.52 -1.26 -4.86 118.95 118.40 3hiv s ARG 156 Ca 0.58 1.90 0.00 0.00 -0.13 0.00 0.00 55.73 58.09 3hiv s ARG 156 Cb -0.51 -3.40 0.03 0.00 -1.56 0.00 0.00 34.95 29.51 3hiv s ARG 156 CO 0.60 -0.42 -0.11 0.08 -0.81 0.00 0.00 175.30 174.65 3hiv s VAL 157 N 1.57 1.37 0.21 7.11 1.01 -1.26 -5.06 120.40 125.34 3hiv s VAL 157 Ca 0.62 -0.59 -0.10 0.00 0.00 0.00 0.00 61.98 61.90 3hiv s VAL 157 Cb -0.32 -1.37 0.15 0.00 0.00 0.00 0.00 36.38 34.85 3hiv s VAL 157 CO 0.28 0.34 1.88 -0.08 0.00 0.00 0.00 175.10 177.52 3hiv h GLU 158 N 8.08 0.96 -0.66 2.72 4.81 -1.95 0.28 114.58 128.84 3hiv h GLU 158 Ca -0.32 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 58.77 3hiv h GLU 158 Cb 1.12 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 30.26 3hiv h GLU 158 CO 0.47 0.64 0.10 -0.22 -0.73 0.00 0.00 179.01 179.27 3hiv h LYS 159 N 0.99 1.09 -0.33 1.92 3.64 -1.92 0.21 116.57 122.18 3hiv h LYS 159 Ca 0.27 -0.30 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 3hiv h LYS 159 Cb -0.10 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.58 3hiv h LYS 159 CO -0.06 1.01 -0.05 -0.44 -2.27 0.00 0.00 179.45 177.64 3hiv h ASP 160 N 1.01 0.61 -0.42 4.20 3.32 -1.70 -1.39 116.42 122.06 3hiv h ASP 160 Ca 0.20 -0.34 0.04 0.00 0.02 0.00 0.00 57.03 56.94 3hiv h ASP 160 Cb 0.45 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 3hiv h ASP 160 CO 0.01 0.81 0.20 -0.08 -1.72 0.00 0.00 179.24 178.47 3hiv h GLU 161 N 0.40 0.40 -0.59 3.56 4.81 -0.29 -2.28 114.58 120.59 3hiv h GLU 161 Ca 0.09 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 3hiv h GLU 161 Cb 0.53 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 3hiv h GLU 161 CO 0.03 0.27 0.08 0.00 -0.73 0.00 0.00 179.01 178.66 3hiv h ALA 162 N 1.23 1.04 -0.36 2.92 0.00 -0.45 -1.08 119.26 122.55 3hiv h ALA 162 Ca 0.18 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3hiv h ALA 162 Cb 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3hiv h ALA 162 CO -0.13 0.62 0.07 1.25 0.00 0.00 0.00 179.25 181.05 3hiv h LEU 163 N 0.90 0.57 -0.35 0.00 5.85 -1.03 -1.44 115.31 119.82 3hiv h LEU 163 Ca 0.18 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.69 3hiv h LEU 163 Cb 0.41 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 3hiv h LEU 163 CO 0.01 0.67 0.14 0.15 -0.34 0.00 0.00 178.44 179.07 3hiv h PHE 164 N 0.44 0.26 -0.83 1.25 3.57 -1.11 -2.20 116.94 118.32 3hiv h PHE 164 Ca 0.11 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.65 3hiv h PHE 164 Cb 0.33 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.96 3hiv h PHE 164 CO 0.02 0.13 0.54 -0.07 -2.23 0.00 0.00 178.31 176.70 3hiv h LEU 165 N 0.31 0.91 -0.62 0.59 3.38 -1.07 0.93 115.31 119.73 3hiv h LEU 165 Ca 0.15 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.15 3hiv h LEU 165 Cb 0.10 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 3hiv h LEU 165 CO -0.13 0.64 0.36 0.25 0.09 0.00 0.00 178.44 179.64 3hiv h LEU 166 N 1.07 0.57 -0.02 1.67 5.85 -0.94 0.24 115.31 123.74 3hiv h LEU 166 Ca 0.32 0.01 -0.26 0.00 0.84 0.00 0.00 57.88 58.79 3hiv h LEU 166 Cb -0.04 -0.10 0.02 0.00 0.37 0.00 0.00 40.66 40.90 3hiv h LEU 166 CO -0.10 0.39 -1.07 0.40 -0.34 0.00 0.00 178.44 177.72 3hiv h ILE 167 N 0.70 1.33 -0.09 4.05 2.04 -0.77 -3.23 117.51 121.53 3hiv h ILE 167 Ca 0.26 -2.39 -0.16 0.00 1.00 0.00 0.00 64.86 63.57 3hiv h ILE 167 Cb 0.08 2.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 3hiv h ILE 167 CO -0.13 0.73 -0.63 1.62 0.00 0.00 0.00 178.15 179.74 3hiv h VAL 168 N 0.31 1.38 -0.09 1.67 3.04 -0.68 0.01 116.25 121.88 3hiv h VAL 168 Ca -0.13 -2.01 -0.05 0.00 -1.01 0.00 0.00 66.70 63.51 3hiv h VAL 168 Cb 1.72 2.01 -0.01 0.00 -2.01 0.00 0.00 31.29 33.00 3hiv h VAL 168 CO 0.20 0.60 -0.15 -0.37 -1.01 0.00 0.00 177.57 176.84 3hiv h VAL 169 N 0.23 1.16 0.13 1.51 -1.51 -0.97 -2.08 116.25 114.73 3hiv h VAL 169 Ca -0.01 -0.73 -0.28 0.00 -1.23 0.00 0.00 66.70 64.45 3hiv h VAL 169 Cb 1.16 1.26 0.01 0.00 -2.13 0.00 0.00 31.29 31.59 3hiv h VAL 169 CO 0.10 0.22 -1.25 1.56 -1.23 0.00 0.00 177.57 176.98 3hiv h GLN 170 N 0.14 0.32 0.00 5.19 4.20 -1.49 -0.44 115.11 123.02 3hiv h GLN 170 Ca 0.03 -0.52 0.00 0.00 0.06 0.00 0.00 58.65 58.22 3hiv h GLN 170 Cb 0.36 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.33 3hiv h GLN 170 CO 0.02 1.24 0.00 0.52 -0.67 0.00 0.00 178.83 179.94 3hiv h MET 171 N 0.10 0.00 0.00 1.46 2.86 -0.71 -0.53 114.93 118.10 3hiv h MET 171 Ca -0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 3hiv h MET 171 Cb 1.97 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.63 3hiv h MET 171 CO 0.21 0.00 -0.09 0.28 1.06 0.00 0.00 176.91 178.37 3hiv n VAL 172 N -2.72 0.86 0.27 -2.22 0.31 -0.81 -4.52 118.33 109.51 3hiv n VAL 172 Ca 0.05 0.27 -0.15 0.00 -0.01 0.00 0.00 64.34 64.51 3hiv n VAL 172 Cb 0.48 -1.49 -0.08 0.00 -0.91 0.00 0.00 33.84 31.85 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 -0.09 -0.73 1.48 2.92 0.00 -1.32 -2.17 103.07 103.16 3hiv h GLY 173 Ca 0.00 0.27 -0.15 0.00 0.00 0.00 0.00 47.33 47.45 3hiv h GLY 173 CO 0.00 -0.27 -0.48 0.83 0.00 0.00 0.00 176.54 176.62 3hiv h GLU 174 N -0.97 0.56 -0.01 4.80 4.39 -1.15 -1.76 114.58 120.45 3hiv h GLU 174 Ca -0.07 -0.32 -0.05 0.00 0.34 0.00 0.00 59.36 59.26 3hiv h GLU 174 Cb 0.62 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 3hiv h GLU 174 CO 0.12 0.92 -0.25 0.00 -1.16 0.00 0.00 179.01 178.63 3hiv h ALA 175 N 1.03 1.57 0.02 3.43 0.00 -1.17 -0.01 119.26 124.14 3hiv h ALA 175 Ca 0.02 -0.23 -0.23 0.00 0.00 0.00 0.00 54.91 54.47 3hiv h ALA 175 Cb 1.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3hiv h ALA 175 CO 0.09 0.32 -0.98 0.00 0.00 0.00 0.00 179.25 178.68 3hiv h ALA 176 N 1.74 0.33 -0.22 0.00 0.00 -0.84 -3.24 119.26 117.02 3hiv h ALA 176 Ca -0.00 -0.73 -0.06 0.00 0.00 0.00 0.00 54.91 54.12 3hiv h ALA 176 Cb 0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3hiv h ALA 176 CO 0.03 0.83 -0.08 0.00 0.00 0.00 0.00 179.25 180.04 3hiv h ARG 177 N 0.21 0.45 -4.88 0.00 3.08 -1.06 -3.25 114.38 108.92 3hiv h ARG 177 Ca -0.09 -0.18 -0.67 0.00 0.07 0.00 0.00 59.98 59.11 3hiv h ARG 177 Cb 1.63 -0.02 -0.37 0.00 0.08 0.00 0.00 29.97 31.30 3hiv h ARG 177 CO 0.17 0.71 -0.81 -0.06 -1.07 0.00 0.00 179.97 178.90 3hiv s PHE 178 N -4.67 3.09 0.63 3.04 0.40 -0.04 0.17 117.98 120.61 3hiv s PHE 178 Ca -0.14 -2.13 0.34 0.00 -0.60 0.00 0.00 56.93 54.41 3hiv s PHE 178 Cb 0.07 -1.90 1.92 0.00 0.51 0.00 0.00 43.02 43.62 3hiv s PHE 178 CO 0.76 -0.85 2.17 0.87 0.70 0.00 0.00 175.22 178.86 3hiv h LYS 179 N 7.82 0.00 -0.81 0.44 1.57 -1.23 -2.00 116.57 122.35 3hiv h LYS 179 Ca -0.25 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.59 3hiv h LYS 179 Cb 1.07 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.31 3hiv h LYS 179 CO 0.50 0.00 0.49 -0.92 -0.57 0.00 0.00 179.45 178.95 3hiv h TYR 180 N 0.00 0.90 0.16 -1.35 5.03 -1.08 0.41 116.97 121.05 3hiv h TYR 180 Ca 0.03 0.03 -0.26 0.00 2.58 0.00 0.00 58.73 61.11 3hiv h TYR 180 Cb 0.32 -0.29 0.03 0.00 1.55 0.00 0.00 36.73 38.34 3hiv h TYR 180 CO 0.00 0.44 -1.11 0.82 -1.32 0.00 0.00 178.16 176.99 3hiv h ILE 181 N 0.88 1.38 -0.33 1.81 2.04 -1.67 -2.57 117.51 119.05 3hiv h ILE 181 Ca 0.36 -2.53 0.07 0.00 1.00 0.00 0.00 64.86 63.76 3hiv h ILE 181 Cb 0.21 2.99 -0.07 0.00 -0.74 0.00 0.00 36.82 39.20 3hiv h ILE 181 CO -0.19 0.74 -0.16 -0.08 0.00 0.00 0.00 178.15 178.46 3hiv h GLU 182 N -0.03 -0.11 -0.82 2.37 4.81 -1.30 -2.16 114.58 117.34 3hiv h GLU 182 Ca -0.19 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.11 3hiv h GLU 182 Cb 1.85 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 31.20 3hiv h GLU 182 CO 0.21 -0.07 0.50 -0.91 -0.73 0.00 0.00 179.01 178.01 3hiv h ASN 183 N -0.11 0.78 -0.18 1.04 2.35 -0.98 -0.85 115.58 117.62 3hiv h ASN 183 Ca 0.17 0.02 0.05 0.00 -0.55 0.00 0.00 56.30 55.98 3hiv h ASN 183 Cb 0.37 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.55 3hiv h ASN 183 CO -0.40 0.50 -0.13 0.25 -1.65 0.00 0.00 177.43 176.00 3hiv h LEU 184 N 0.91 -0.41 -0.03 1.61 5.85 -1.10 0.12 115.31 122.26 3hiv h LEU 184 Ca 0.36 0.09 0.03 0.00 0.84 0.00 0.00 57.88 59.20 3hiv h LEU 184 Cb 0.18 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 3hiv h LEU 184 CO -0.17 -0.17 -0.27 0.58 -0.34 0.00 0.00 178.44 178.07 3hiv h VAL 185 N -0.13 0.39 -0.98 1.05 2.07 -0.86 -2.55 116.25 115.23 3hiv h VAL 185 Ca 0.11 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.68 3hiv h VAL 185 Cb 0.29 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 3hiv h VAL 185 CO -0.26 0.00 0.64 -0.07 0.02 0.00 0.00 177.57 177.90 3hiv h LEU 186 N -0.39 1.04 -0.04 2.57 3.38 -0.79 -1.94 115.31 119.14 3hiv h LEU 186 Ca 0.07 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hiv h LEU 186 Cb 0.49 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3hiv h LEU 186 CO -0.25 0.69 -0.03 0.59 0.09 0.00 0.00 178.44 179.53 3hiv n ASN 187 N -4.47 0.10 -1.06 -0.43 3.02 0.38 -3.14 115.26 109.65 3hiv n ASN 187 Ca 0.14 -0.22 0.04 0.00 -0.03 0.00 0.00 54.58 54.51 3hiv n ASN 187 Cb 0.15 -0.24 0.12 0.00 -0.61 0.00 0.00 39.78 39.20 3hiv n ASN 187 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3hiv n ASN 188 N -1.23 1.50 -0.03 6.41 3.02 -0.92 -4.91 115.26 119.10 3hiv n ASN 188 Ca 0.14 -3.07 -0.17 0.00 -0.03 0.00 0.00 54.58 51.46 3hiv n ASN 188 Cb 0.25 -0.43 -0.07 0.00 -0.61 0.00 0.00 39.78 38.92 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 1.07 0.93 -0.05 3.10 3.57 -1.31 -3.32 116.94 120.92 3hiv h PHE 189 Ca -0.09 -0.40 0.00 0.00 3.53 0.00 0.00 57.97 61.01 3hiv h PHE 189 Cb 1.39 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.99 3hiv h PHE 189 CO 0.52 1.21 0.00 -0.25 -2.23 0.00 0.00 178.31 177.56 3hiv n ASP 190 N -4.07 1.88 -4.94 0.41 8.00 -1.26 -4.87 116.55 111.70 3hiv n ASP 190 Ca -0.07 -1.64 -0.22 0.00 0.71 0.00 0.00 54.79 53.57 3hiv n ASP 190 Cb 0.67 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.75 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 -1.95 2.28 0.01 -3.53 -4.23 -1.25 -5.07 115.64 101.90 3hiv s THR 191 Ca 0.35 -1.27 -0.08 0.00 -1.18 0.00 0.00 61.69 59.52 3hiv s THR 191 Cb 0.20 -2.55 -0.04 0.00 1.34 0.00 0.00 72.50 71.45 3hiv s THR 191 CO 0.32 0.00 0.93 0.00 -0.54 0.00 0.00 174.62 175.32 3hiv h ALA 192 N 0.70 -0.88 -0.01 3.99 0.00 -1.94 -3.32 119.26 117.81 3hiv h ALA 192 Ca -0.37 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3hiv h ALA 192 Cb 1.28 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3hiv h ALA 192 CO 0.52 -0.86 -0.09 1.17 0.00 0.00 0.00 179.25 179.99 3hiv n LYS 193 N -2.92 0.88 0.00 0.00 4.81 -1.26 -5.01 118.16 114.67 3hiv n LYS 193 Ca -0.04 -0.33 0.00 0.00 -0.87 0.00 0.00 58.31 57.08 3hiv n LYS 193 Cb 0.11 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.67 3hiv n LYS 193 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3hiv n GLU 194 N -0.77 0.00 -3.65 1.64 1.02 -1.25 -4.05 120.64 113.58 3hiv n GLU 194 Ca 0.16 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.91 3hiv n GLU 194 Cb 0.27 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.58 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 4.46 -0.30 2.62 1.01 -0.39 -5.00 120.40 122.80 3hiv s VAL 195 Ca 0.00 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.16 3hiv s VAL 195 Cb 0.00 -3.40 0.16 0.00 0.00 0.00 0.00 36.38 33.14 3hiv s VAL 195 CO 0.00 -0.09 0.79 -0.70 0.00 0.00 0.00 175.10 175.10 3hiv s GLU 196 N 1.56 0.44 0.66 2.72 2.12 -1.26 -0.58 118.70 124.37 3hiv s GLU 196 Ca 0.03 1.03 -0.10 0.00 0.36 0.00 0.00 54.97 56.28 3hiv s GLU 196 Cb -0.18 0.61 0.00 0.00 0.26 0.00 0.00 34.13 34.82 3hiv s GLU 196 CO 0.06 -0.25 1.04 -1.25 -0.54 0.00 0.00 175.26 174.32 3hiv s PRO 197 N 2.75 3.02 0.11 4.30 0.05 -1.26 -5.08 135.00 138.89 3hiv s PRO 197 Ca 0.01 0.41 -0.31 0.00 0.05 0.00 0.00 61.00 61.15 3hiv s PRO 197 Cb -0.10 -2.09 -0.09 0.00 0.05 0.00 0.00 34.50 32.26 3hiv s PRO 197 CO -0.18 -0.86 1.64 0.08 0.05 0.00 0.00 177.00 177.73 3hiv s VAL 198 N -3.23 2.81 0.59 -0.36 1.01 -1.00 -4.94 120.40 115.28 3hiv s VAL 198 Ca 0.56 0.42 -0.19 0.00 0.00 0.00 0.00 61.98 62.77 3hiv s VAL 198 Cb -0.11 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 3hiv s VAL 198 CO 0.51 0.01 1.25 -2.16 0.00 0.00 0.00 175.10 174.71 3hiv s PRO 199 N 2.03 2.93 0.31 2.72 0.04 -1.26 -4.80 135.00 136.98 3hiv s PRO 199 Ca 0.73 1.94 0.06 0.00 0.04 0.00 0.00 61.00 63.77 3hiv s PRO 199 Cb -0.42 -1.98 0.71 0.00 0.04 0.00 0.00 34.50 32.85 3hiv s PRO 199 CO 0.32 -1.27 1.82 -0.44 0.04 0.00 0.00 177.00 177.47 3hiv h ASP 200 N 0.94 0.79 0.39 6.66 3.32 -2.00 -1.50 116.42 125.02 3hiv h ASP 200 Ca -0.51 0.07 -0.06 0.00 0.02 0.00 0.00 57.03 56.55 3hiv h ASP 200 Cb 1.31 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 3hiv h ASP 200 CO 0.55 0.36 -0.30 0.03 -1.72 0.00 0.00 179.24 178.16 3hiv h ARG 201 N 0.81 0.00 -0.24 3.56 3.08 -1.99 -0.35 114.38 119.24 3hiv h ARG 201 Ca 0.52 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.52 3hiv h ARG 201 Cb 0.74 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 3hiv h ARG 201 CO -0.30 0.30 -0.06 0.28 -1.07 0.00 0.00 179.97 179.13 3hiv h VAL 202 N 0.00 1.28 -0.86 2.04 2.07 -1.64 -2.17 116.25 116.98 3hiv h VAL 202 Ca -0.00 -1.06 0.06 0.00 0.82 0.00 0.00 66.70 66.52 3hiv h VAL 202 Cb 0.58 1.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.77 3hiv h VAL 202 CO 0.04 0.33 0.54 0.40 0.02 0.00 0.00 177.57 178.89 3hiv h ILE 203 N 0.21 1.05 -0.08 4.57 1.08 -1.20 -1.85 117.51 121.28 3hiv h ILE 203 Ca 0.06 -0.34 -0.00 0.00 -0.39 0.00 0.00 64.86 64.19 3hiv h ILE 203 Cb 0.52 -0.02 -0.00 0.00 -3.07 0.00 0.00 36.82 34.25 3hiv h ILE 203 CO 0.02 0.18 0.03 0.40 -0.69 0.00 0.00 178.15 178.10 3hiv h ILE 204 N 0.98 1.13 -0.60 -0.67 2.04 -1.06 -3.04 117.51 116.29 3hiv h ILE 204 Ca 0.37 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.86 3hiv h ILE 204 Cb 0.16 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 3hiv h ILE 204 CO -0.17 0.11 0.39 -0.07 0.00 0.00 0.00 178.15 178.41 3hiv h LEU 205 N -0.02 0.67 -2.84 1.44 3.38 -1.14 -2.11 115.31 114.69 3hiv h LEU 205 Ca 0.03 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hiv h LEU 205 Cb 0.15 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3hiv h LEU 205 CO -0.00 0.48 -0.00 -0.33 0.09 0.00 0.00 178.44 178.67 3hiv h GLU 206 N 0.79 0.00 -0.66 1.13 5.08 -1.35 -0.29 114.58 119.27 3hiv h GLU 206 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3hiv h GLU 206 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 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 -3.17 3.72 -0.67 1.42 5.03 -0.80 -4.58 115.26 116.21 3hiv n ASN 207 Ca -0.03 -2.00 0.03 0.00 0.87 0.00 0.00 54.58 53.46 3hiv n ASN 207 Cb 0.09 -0.44 0.05 0.00 -1.02 0.00 0.00 39.78 38.46 3hiv n ASN 207 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3hiv n ASN 208 N 1.55 0.85 0.03 6.41 3.02 -0.13 -4.89 115.26 122.10 3hiv n ASN 208 Ca 0.23 -2.39 -0.13 0.00 -0.03 0.00 0.00 54.58 52.26 3hiv n ASN 208 Cb 0.60 -0.30 -0.09 0.00 -0.61 0.00 0.00 39.78 39.38 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 0.34 -0.05 -0.27 3.10 7.01 -1.79 -0.09 115.95 124.19 3hiv h TRP 209 Ca -0.06 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.95 3hiv h TRP 209 Cb 1.41 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 28.47 3hiv h TRP 209 CO 0.16 0.24 0.18 0.78 -2.79 0.00 0.00 178.44 177.01 3hiv h GLY 210 N -0.35 0.39 0.34 2.65 0.00 -1.93 -1.50 103.07 102.67 3hiv h GLY 210 Ca -0.01 -0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.19 3hiv h GLY 210 CO 0.01 0.14 -0.43 -2.00 0.00 0.00 0.00 176.54 174.26 3hiv h LEU 211 N 0.37 -1.25 -1.51 3.11 7.12 -1.91 -1.36 115.31 119.88 3hiv h LEU 211 Ca 0.10 0.13 0.03 0.00 0.13 0.00 0.00 57.88 58.27 3hiv h LEU 211 Cb -0.03 0.46 -0.03 0.00 -0.53 0.00 0.00 40.66 40.52 3hiv h LEU 211 CO -0.02 -0.52 0.37 -0.07 -0.13 0.00 0.00 178.44 178.07 3hiv h LEU 212 N -0.72 0.55 -0.38 2.25 3.38 -0.96 0.15 115.31 119.59 3hiv h LEU 212 Ca 0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3hiv h LEU 212 Cb 0.71 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3hiv h LEU 212 CO -0.20 0.38 0.12 0.28 0.09 0.00 0.00 178.44 179.12 3hiv h SER 213 N 0.64 0.55 -0.38 -0.43 0.02 -0.93 -0.03 113.55 112.99 3hiv h SER 213 Ca 0.22 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 3hiv h SER 213 Cb 0.08 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 3hiv h SER 213 CO -0.06 0.61 0.07 0.03 -1.14 0.00 0.00 176.83 176.34 3hiv h ARG 214 N 0.47 0.62 -0.88 3.45 3.08 -0.55 -1.91 114.38 118.66 3hiv h ARG 214 Ca 0.12 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 3hiv h ARG 214 Cb 0.25 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 3hiv h ARG 214 CO -0.00 0.67 0.52 0.00 -1.07 0.00 0.00 179.97 180.08 3hiv h ALA 215 N 0.92 1.25 -0.18 0.04 0.00 -0.90 -2.85 119.26 117.53 3hiv h ALA 215 Ca 0.12 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 3hiv h ALA 215 Cb 0.35 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3hiv h ALA 215 CO 0.01 0.63 -0.40 0.00 0.00 0.00 0.00 179.25 179.49 3hiv h ALA 216 N 1.34 0.97 -0.94 0.00 0.00 -0.90 -2.03 119.26 117.71 3hiv h ALA 216 Ca 0.31 -0.42 0.15 0.00 0.00 0.00 0.00 54.91 54.95 3hiv h ALA 216 Cb -0.03 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.57 3hiv h ALA 216 CO -0.06 0.62 0.55 -0.22 0.00 0.00 0.00 179.25 180.14 3hiv h LYS 217 N 0.35 0.77 -0.45 0.00 3.64 -1.12 -1.88 116.57 117.88 3hiv h LYS 217 Ca 0.03 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3hiv h LYS 217 Cb 0.85 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 3hiv h LYS 217 CO 0.07 0.51 0.00 0.25 -2.27 0.00 0.00 179.45 178.01 3hiv n THR 218 N -4.75 0.59 -1.90 1.00 -2.24 -1.05 -4.26 114.28 101.67 3hiv n THR 218 Ca 0.19 -0.73 -0.32 0.00 -2.27 0.00 0.00 64.05 60.92 3hiv n THR 218 Cb 0.43 0.69 0.02 0.00 -2.10 0.00 0.00 70.33 69.38 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 -1.41 2.68 -0.28 6.98 0.00 -0.79 -4.23 121.76 124.72 3hiv s ALA 219 Ca 0.39 0.35 -0.02 0.00 0.00 0.00 0.00 51.96 52.69 3hiv s ALA 219 Cb 0.22 -3.23 0.04 0.00 0.00 0.00 0.00 23.12 20.15 3hiv s ALA 219 CO 0.30 -0.97 -0.03 -0.80 0.00 0.00 0.00 175.76 174.25 3hiv s ASN 220 N -2.97 4.62 -1.47 0.00 0.02 0.43 -4.38 114.94 111.18 3hiv s ASN 220 Ca 0.63 -1.09 -0.01 0.00 -1.02 0.00 0.00 52.86 51.36 3hiv s ASN 220 Cb -0.16 -1.68 0.01 0.00 0.02 0.00 0.00 41.25 39.44 3hiv s ASN 220 CO 0.41 -0.20 0.32 0.59 0.02 0.00 0.00 177.10 178.24 3hiv n ASN 221 N 4.64 -0.12 0.00 -1.22 4.13 -0.98 -1.52 115.26 120.19 3hiv n ASN 221 Ca -0.15 -1.09 0.00 0.00 1.68 0.00 0.00 54.58 55.02 3hiv n ASN 221 Cb 0.45 -2.58 0.00 0.00 -1.54 0.00 0.00 39.78 36.11 3hiv n ASN 221 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hiv n GLY 222 N -2.12 0.86 3.39 7.41 0.00 -0.15 -4.96 105.19 109.62 3hiv n GLY 222 Ca -0.29 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.39 3.93 0.35 1.61 1.01 -0.58 -0.41 120.40 122.92 3hiv s VAL 223 Ca 0.00 -0.30 -0.29 0.00 0.00 0.00 0.00 61.98 61.39 3hiv s VAL 223 Cb 0.00 -2.82 -0.11 0.00 0.00 0.00 0.00 36.38 33.45 3hiv s VAL 223 CO 0.00 0.37 1.43 -0.36 0.00 0.00 0.00 175.10 176.55 3hiv s PHE 224 N 1.56 2.77 0.19 5.22 0.08 -0.69 -0.43 117.98 126.69 3hiv s PHE 224 Ca 0.06 1.21 -0.12 0.00 0.12 0.00 0.00 56.93 58.20 3hiv s PHE 224 Cb -0.15 -3.90 0.21 0.00 -0.57 0.00 0.00 43.02 38.61 3hiv s PHE 224 CO 0.01 -2.66 1.75 0.37 -0.10 0.00 0.00 175.22 174.59 3hiv h GLN 225 N 3.40 0.37 -5.97 0.44 5.75 -1.84 -3.38 115.11 113.88 3hiv h GLN 225 Ca -0.50 -0.02 -0.68 0.00 -0.15 0.00 0.00 58.65 57.30 3hiv h GLN 225 Cb 1.23 -0.08 -0.29 0.00 1.07 0.00 0.00 27.48 29.41 3hiv h GLN 225 CO 0.67 0.24 -0.84 0.99 -2.65 0.00 0.00 178.83 177.24 3hiv s THR 226 N -6.12 2.44 0.43 2.39 2.01 -1.26 -5.10 115.64 110.42 3hiv s THR 226 Ca -0.13 -0.93 -0.24 0.00 0.31 0.00 0.00 61.69 60.70 3hiv s THR 226 Cb 0.16 -1.93 -0.10 0.00 0.01 0.00 0.00 72.50 70.64 3hiv s THR 226 CO 0.74 0.57 1.01 -2.65 -0.69 0.00 0.00 174.62 173.59 3hiv n PRO 227 N 2.90 1.34 -4.11 4.92 -0.02 -1.26 -4.99 135.00 133.78 3hiv n PRO 227 Ca -0.17 0.48 -0.32 0.00 -2.02 0.00 0.00 63.50 61.47 3hiv n PRO 227 Cb 0.52 -2.05 -0.07 0.00 -0.02 0.00 0.00 33.50 31.88 3hiv n PRO 227 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hiv s LEU 228 N -0.60 3.76 -0.47 2.45 1.43 0.22 -4.95 118.68 120.51 3hiv s LEU 228 Ca 0.64 0.03 0.04 0.00 -1.03 0.00 0.00 54.13 53.80 3hiv s LEU 228 Cb -0.55 -2.32 0.12 0.00 0.03 0.00 0.00 46.19 43.48 3hiv s LEU 228 CO 0.56 0.22 0.21 -0.69 0.23 0.00 0.00 176.35 176.89 3hiv s VAL 229 N -1.27 2.55 0.02 -1.59 1.01 -1.26 -0.45 120.40 119.41 3hiv s VAL 229 Ca 0.25 -3.05 -0.26 0.00 0.00 0.00 0.00 61.98 58.92 3hiv s VAL 229 Cb -0.12 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 3hiv s VAL 229 CO 0.17 -0.75 0.81 -0.76 0.00 0.00 0.00 175.10 174.58 3hiv s LEU 230 N 0.04 4.41 0.24 3.92 1.43 0.80 -4.87 118.68 124.64 3hiv s LEU 230 Ca 0.15 1.47 0.00 0.00 -1.03 0.00 0.00 54.13 54.73 3hiv s LEU 230 Cb -0.24 -3.30 -0.05 0.00 0.03 0.00 0.00 46.19 42.63 3hiv s LEU 230 CO -0.02 -0.07 0.11 0.42 0.23 0.00 0.00 176.35 177.01 3hiv s THR 231 N 0.33 0.34 -0.04 5.49 -4.23 -1.26 -0.78 115.64 115.48 3hiv s THR 231 Ca 0.42 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.81 3hiv s THR 231 Cb -0.20 -2.58 0.02 0.00 1.34 0.00 0.00 72.50 71.08 3hiv s THR 231 CO 0.24 -0.00 0.27 -0.55 -0.54 0.00 0.00 174.62 174.03 3hiv s SER 232 N -3.25 -0.18 0.54 3.99 0.15 -1.26 -4.84 113.70 108.84 3hiv s SER 232 Ca 0.38 0.19 0.30 0.00 0.70 0.00 0.00 55.95 57.52 3hiv s SER 232 Cb 0.08 0.38 1.53 0.00 -1.71 0.00 0.00 66.02 66.30 3hiv s SER 232 CO 0.13 -0.31 2.09 0.10 1.20 0.00 0.00 173.24 176.44 3hiv h TYR 233 N 4.57 0.00 0.00 3.44 -0.00 -1.98 -2.66 116.97 120.34 3hiv h TYR 233 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.44 3hiv h TYR 233 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.91 3hiv h TYR 233 CO 0.50 0.10 -0.05 0.00 -0.00 0.00 0.00 178.16 178.70 3hiv h ALA 234 N 1.90 0.97 -2.28 0.10 0.00 -1.96 -3.34 119.26 114.66 3hiv h ALA 234 Ca -0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 3hiv h ALA 234 Cb 0.33 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.71 3hiv h ALA 234 CO 0.01 0.00 -0.69 1.33 0.00 0.00 0.00 179.25 179.91 3hiv n VAL 235 N -2.91 1.66 -1.76 0.00 0.24 -1.00 -5.08 118.33 109.47 3hiv n VAL 235 Ca 0.04 -4.92 -0.40 0.00 -2.04 0.00 0.00 64.34 57.02 3hiv n VAL 235 Cb 0.51 -2.07 0.02 0.00 -1.47 0.00 0.00 33.84 30.83 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 1.15 2.16 -0.76 7.34 -0.04 -1.25 -2.95 135.00 140.65 3hiv n PRO 236 Ca 0.27 0.77 0.00 0.00 -0.04 0.00 0.00 63.50 64.50 3hiv n PRO 236 Cb 0.42 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 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 0.61 0.93 3.41 0.55 0.00 -1.26 -5.02 105.19 104.41 3hiv n GLY 237 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.54 2.74 0.06 1.61 1.01 -1.15 -5.13 120.40 115.98 3hiv s VAL 238 Ca 0.00 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.18 3hiv s VAL 238 Cb 0.00 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 3hiv s VAL 238 CO 0.00 0.58 -0.12 -1.83 0.00 0.00 0.00 175.10 173.73 3hiv s GLU 239 N -0.54 0.72 -0.28 2.72 -1.05 -1.26 -4.63 118.70 114.38 3hiv s GLU 239 Ca 0.07 -0.85 0.02 0.00 -0.15 0.00 0.00 54.97 54.07 3hiv s GLU 239 Cb -0.11 -0.64 0.06 0.00 -0.44 0.00 0.00 34.13 33.00 3hiv s GLU 239 CO 0.01 0.14 -0.07 -0.46 0.95 0.00 0.00 175.26 175.83 3hiv s TRP 240 N -1.24 3.32 -0.19 4.83 -0.00 0.04 -4.95 118.94 120.75 3hiv s TRP 240 Ca -0.04 -2.29 -0.22 0.00 -0.00 0.00 0.00 56.10 53.54 3hiv s TRP 240 Cb -0.10 -2.08 -0.02 0.00 -0.00 0.00 0.00 33.47 31.28 3hiv s TRP 240 CO 0.01 -0.87 0.70 1.03 -0.00 0.00 0.00 176.95 177.83 3hiv s ARG 241 N 1.12 4.24 0.05 5.86 0.52 -1.26 -0.14 118.95 129.33 3hiv s ARG 241 Ca -0.06 0.76 0.05 0.00 -0.52 0.00 0.00 55.73 55.96 3hiv s ARG 241 Cb -0.20 -3.58 -0.02 0.00 0.52 0.00 0.00 34.95 31.67 3hiv s ARG 241 CO -0.04 -0.28 -0.15 0.14 0.02 0.00 0.00 175.30 174.99 3hiv s VAL 242 N 2.02 1.22 -0.01 3.52 -7.23 0.40 -4.97 120.40 115.34 3hiv s VAL 242 Ca 0.32 -1.08 0.03 0.00 -1.81 0.00 0.00 61.98 59.44 3hiv s VAL 242 Cb -0.16 -1.10 -0.05 0.00 0.56 0.00 0.00 36.38 35.62 3hiv s VAL 242 CO 0.11 0.01 0.07 0.35 -0.31 0.00 0.00 175.10 175.32 3hiv n THR 243 N 1.79 0.04 -4.30 5.32 -2.24 -1.26 -0.61 114.28 113.02 3hiv n THR 243 Ca -0.18 -0.09 -0.21 0.00 -2.27 0.00 0.00 64.05 61.30 3hiv n THR 243 Cb 0.54 0.19 -0.11 0.00 -2.10 0.00 0.00 70.33 68.85 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 -2.21 1.68 0.19 4.28 -4.23 -1.26 -1.70 115.64 112.39 3hiv s THR 244 Ca -0.01 -1.82 -0.10 0.00 -1.18 0.00 0.00 61.69 58.58 3hiv s THR 244 Cb 0.02 -1.73 0.11 0.00 1.34 0.00 0.00 72.50 72.24 3hiv s THR 244 CO 0.14 -0.31 1.75 0.58 -0.54 0.00 0.00 174.62 176.25 3hiv h VAL 245 N 3.42 1.24 -0.78 2.29 2.07 -1.13 -3.24 116.25 120.12 3hiv h VAL 245 Ca -0.42 -0.76 0.13 0.00 0.82 0.00 0.00 66.70 66.47 3hiv h VAL 245 Cb 1.20 0.46 -0.09 0.00 -1.52 0.00 0.00 31.29 31.34 3hiv h VAL 245 CO 0.49 0.30 0.37 0.00 0.02 0.00 0.00 177.57 178.75 3hiv h ALA 246 N 1.12 1.12 -0.06 1.67 0.00 -1.96 -2.09 119.26 119.06 3hiv h ALA 246 Ca 0.23 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.24 3hiv h ALA 246 Cb 0.20 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3hiv h ALA 246 CO -0.02 -0.12 0.10 0.93 0.00 0.00 0.00 179.25 180.15 3hiv h GLU 247 N 0.56 0.00 -0.02 0.00 5.08 -1.95 -2.45 114.58 115.79 3hiv h GLU 247 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 3hiv h GLU 247 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3hiv h GLU 247 CO -0.35 0.00 -0.29 1.33 -1.00 0.00 0.00 179.01 178.70 3hiv n VAL 248 N -3.55 0.00 -3.73 3.13 0.24 -0.78 -5.00 118.33 108.64 3hiv n VAL 248 Ca -0.01 -0.35 -0.29 0.00 -2.04 0.00 0.00 64.34 61.65 3hiv n VAL 248 Cb 0.19 1.33 0.02 0.00 -1.47 0.00 0.00 33.84 33.91 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 0.48 -1.11 -1.97 7.34 1.02 -0.92 -4.40 120.64 121.07 3hiv n GLU 249 Ca 0.11 0.60 -0.39 0.00 -0.02 0.00 0.00 57.16 57.46 3hiv n GLU 249 Cb 0.52 -3.39 0.01 0.00 -0.02 0.00 0.00 31.44 28.55 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 -3.27 2.47 -0.26 -3.67 -1.09 -1.26 -0.63 121.20 113.50 3hiv s ILE 250 Ca 0.27 0.38 -0.15 0.00 -2.23 0.00 0.00 60.65 58.92 3hiv s ILE 250 Cb -0.12 -3.21 -0.12 0.00 -1.58 0.00 0.00 42.46 37.43 3hiv s ILE 250 CO 0.88 0.02 -0.31 0.61 -1.23 0.00 0.00 174.94 174.92 3hiv n GLY 251 N 0.62 -0.50 3.30 6.18 0.00 0.13 -4.04 105.19 110.88 3hiv n GLY 251 Ca 0.07 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.54 -0.00 0.24 -0.61 2.07 -0.74 -4.38 121.20 115.24 3hiv s ILE 252 Ca -0.37 0.00 -0.21 0.00 -1.41 0.00 0.00 60.65 58.66 3hiv s ILE 252 Cb 0.13 -0.57 -0.09 0.00 0.13 0.00 0.00 42.46 42.06 3hiv s ILE 252 CO 0.49 0.00 0.77 -0.36 -1.91 0.00 0.00 174.94 173.93 3hiv s PHE 253 N 0.22 3.67 0.46 3.50 0.08 -0.72 -4.74 117.98 120.46 3hiv s PHE 253 Ca -0.00 1.48 -0.25 0.00 0.12 0.00 0.00 56.93 58.29 3hiv s PHE 253 Cb -0.03 -2.69 -0.08 0.00 -0.57 0.00 0.00 43.02 39.66 3hiv s PHE 253 CO 0.01 0.32 1.35 -1.17 -0.10 0.00 0.00 175.22 175.63 3hiv s LEU 254 N -1.94 4.08 -0.38 -0.37 2.96 -1.26 -1.29 118.68 120.47 3hiv s LEU 254 Ca 0.44 2.76 -0.29 0.00 -0.22 0.00 0.00 54.13 56.82 3hiv s LEU 254 Cb -0.17 -4.02 0.02 0.00 0.50 0.00 0.00 46.19 42.52 3hiv s LEU 254 CO 0.22 -1.14 1.11 0.21 -1.32 0.00 0.00 176.35 175.43 3hiv s ASN 255 N -0.74 6.79 -0.50 3.68 2.47 -1.26 -4.73 114.94 120.66 3hiv s ASN 255 Ca 0.62 0.81 0.04 0.00 0.42 0.00 0.00 52.86 54.76 3hiv s ASN 255 Cb -0.40 -2.55 0.41 0.00 -1.45 0.00 0.00 41.25 37.27 3hiv s ASN 255 CO 0.51 -1.05 1.27 1.33 -3.72 0.00 0.00 177.10 175.44 3hiv n VAL 256 N 6.30 2.59 0.26 -5.21 0.24 -1.26 -5.06 118.33 116.19 3hiv n VAL 256 Ca 0.12 -4.75 0.03 0.00 -2.04 0.00 0.00 64.34 57.70 3hiv n VAL 256 Cb 0.48 -1.25 0.03 0.00 -1.47 0.00 0.00 33.84 31.62 3hiv n VAL 256 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16