#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hiv s GLU 2 N 0.00 3.93 0.59 2.12 2.02 -1.26 -1.23 118.70 124.87 2hiv s GLU 2 Ca 0.00 0.41 0.35 0.00 0.02 0.00 0.00 54.97 55.76 2hiv s GLU 2 Cb 0.00 -3.10 1.85 0.00 0.10 0.00 0.00 34.13 32.98 2hiv s GLU 2 CO 0.00 0.61 2.19 0.35 0.02 0.00 0.00 175.26 178.43 2hiv h PHE 3 N 4.18 0.00 -0.83 1.61 3.57 -0.83 -2.81 116.94 121.83 2hiv h PHE 3 Ca -0.50 0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.13 2hiv h PHE 3 Cb 1.21 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.88 2hiv h PHE 3 CO 0.68 0.04 0.54 -0.22 -2.23 0.00 0.00 178.31 177.12 2hiv h LYS 4 N 0.00 0.61 -0.29 1.11 3.11 -1.94 0.33 116.57 119.49 2hiv h LYS 4 Ca -0.00 -0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.78 2hiv h LYS 4 Cb 0.20 -0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 31.28 2hiv h LYS 4 CO 0.00 0.40 0.09 0.28 -2.81 0.00 0.00 179.45 177.41 2hiv h VAL 5 N 0.63 1.13 0.17 2.00 2.07 -1.89 0.56 116.25 120.92 2hiv h VAL 5 Ca 0.41 -0.46 -0.24 0.00 0.82 0.00 0.00 66.70 67.24 2hiv h VAL 5 Cb 0.69 0.82 0.03 0.00 -1.52 0.00 0.00 31.29 31.31 2hiv h VAL 5 CO -0.17 0.17 -1.03 0.40 0.02 0.00 0.00 177.57 176.96 2hiv h ILE 6 N 0.41 1.43 -0.74 4.57 2.04 -1.14 -1.73 117.51 122.36 2hiv h ILE 6 Ca 0.10 -2.57 0.07 0.00 1.00 0.00 0.00 64.86 63.47 2hiv h ILE 6 Cb 0.14 3.11 -0.06 0.00 -0.74 0.00 0.00 36.82 39.27 2hiv h ILE 6 CO -0.01 0.74 0.41 0.00 0.00 0.00 0.00 178.15 179.30 2hiv h ALA 7 N 0.12 1.02 -0.63 1.87 0.00 -1.24 0.11 119.26 120.51 2hiv h ALA 7 Ca -0.18 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2hiv h ALA 7 Cb 1.81 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.44 2hiv h ALA 7 CO 0.19 0.07 0.26 0.93 0.00 0.00 0.00 179.25 180.71 2hiv h GLU 8 N 0.73 0.94 -0.14 0.00 4.39 -0.87 0.67 114.58 120.30 2hiv h GLU 8 Ca 0.34 -0.17 0.04 0.00 0.34 0.00 0.00 59.36 59.91 2hiv h GLU 8 Cb 0.26 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 2hiv h GLU 8 CO -0.21 0.79 -0.08 -0.92 -1.16 0.00 0.00 179.01 177.42 2hiv h TYR 9 N 0.88 -0.20 -0.63 4.33 3.20 -0.69 -0.22 116.97 123.64 2hiv h TYR 9 Ca 0.21 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.10 2hiv h TYR 9 Cb 0.19 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 2hiv h TYR 9 CO 0.01 -0.13 0.40 0.74 -1.64 0.00 0.00 178.16 177.54 2hiv h PHE 10 N -0.08 0.81 -0.10 -3.82 0.05 -0.39 0.54 116.94 113.95 2hiv h PHE 10 Ca 0.08 0.01 -0.00 0.00 3.82 0.00 0.00 57.97 61.88 2hiv h PHE 10 Cb 0.21 -0.27 -0.00 0.00 2.00 0.00 0.00 35.95 37.88 2hiv h PHE 10 CO -0.22 0.53 0.05 0.22 -0.18 0.00 0.00 178.31 178.71 2hiv h ASP 11 N 0.86 0.13 -0.65 2.17 3.58 -0.63 -2.93 116.42 118.94 2hiv h ASP 11 Ca 0.23 -0.13 0.01 0.00 0.42 0.00 0.00 57.03 57.56 2hiv h ASP 11 Cb -0.07 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 40.91 2hiv h ASP 11 CO -0.05 0.22 0.43 0.11 -2.88 0.00 0.00 179.24 177.07 2hiv h LYS 12 N 0.03 0.84 -1.00 0.28 1.57 -0.83 -2.53 116.57 114.94 2hiv h LYS 12 Ca 0.03 -0.05 0.25 0.00 -1.87 0.00 0.00 60.65 59.01 2hiv h LYS 12 Cb 0.13 -0.19 -0.13 0.00 0.08 0.00 0.00 32.23 32.12 2hiv h LYS 12 CO -0.00 0.56 0.58 1.25 -0.57 0.00 0.00 179.45 181.26 2hiv h LEU 13 N 0.87 0.65 -1.60 2.94 5.85 -0.77 -0.21 115.31 123.04 2hiv h LEU 13 Ca 0.24 0.14 -0.05 0.00 0.84 0.00 0.00 57.88 59.06 2hiv h LEU 13 Cb -0.08 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2hiv h LEU 13 CO -0.06 0.09 -0.22 -0.33 -0.34 0.00 0.00 178.44 177.58 2hiv h GLU 14 N 0.56 0.00 0.00 1.25 5.08 -1.27 -3.10 114.58 117.10 2hiv h GLU 14 Ca 0.64 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.00 2hiv h GLU 14 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2hiv h GLU 14 CO -0.48 0.22 -1.58 1.63 -1.00 0.00 0.00 179.01 177.79 2hiv n LYS 15 N -3.89 0.59 -3.21 2.33 5.02 -0.15 -4.94 118.16 113.91 2hiv n LYS 15 Ca -0.02 -0.08 -0.34 0.00 -2.02 0.00 0.00 58.31 55.85 2hiv n LYS 15 Cb 0.30 -1.62 -0.06 0.00 -0.02 0.00 0.00 35.03 33.63 2hiv n LYS 15 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2hiv s ILE 16 N -3.43 4.71 0.00 -0.18 -4.36 -0.81 -4.97 121.20 112.17 2hiv s ILE 16 Ca -0.04 0.99 0.00 0.00 -0.26 0.00 0.00 60.65 61.33 2hiv s ILE 16 Cb 0.13 -3.73 0.00 0.00 1.25 0.00 0.00 42.46 40.10 2hiv s ILE 16 CO 0.86 0.08 0.29 -1.20 0.24 0.00 0.00 174.94 175.22 2hiv n SER 17 N 0.36 0.58 -4.65 4.36 7.64 -1.26 -4.98 113.62 115.68 2hiv n SER 17 Ca -0.01 -0.82 -0.36 0.00 1.01 0.00 0.00 58.87 58.69 2hiv n SER 17 Cb 0.52 0.26 -0.10 0.00 -1.01 0.00 0.00 64.21 63.88 2hiv n SER 17 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2hiv s SER 18 N -0.26 5.91 0.38 6.43 0.15 -1.26 -4.97 113.70 120.08 2hiv s SER 18 Ca 0.00 0.10 0.08 0.00 0.70 0.00 0.00 55.95 56.83 2hiv s SER 18 Cb 0.00 -2.05 0.76 0.00 -1.71 0.00 0.00 66.02 63.02 2hiv s SER 18 CO 0.00 0.11 1.92 -0.09 1.20 0.00 0.00 173.24 176.38 2hiv h ARG 19 N 7.17 0.33 0.39 5.44 9.65 -1.99 -1.63 114.38 133.74 2hiv h ARG 19 Ca -0.38 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.41 2hiv h ARG 19 Cb 1.17 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.70 2hiv h ARG 19 CO 0.68 0.41 -0.19 1.25 2.80 0.00 0.00 179.97 184.92 2hiv h LEU 20 N 0.32 -0.45 -2.32 3.80 5.85 -2.00 -2.38 115.31 118.12 2hiv h LEU 20 Ca 0.07 -0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.71 2hiv h LEU 20 Cb 0.32 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 2hiv h LEU 20 CO 0.01 -0.13 0.10 1.56 -0.34 0.00 0.00 178.44 179.64 2hiv h GLN 21 N -0.78 0.00 0.04 1.25 4.20 -1.91 -1.17 115.11 116.74 2hiv h GLN 21 Ca -0.05 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 2hiv h GLN 21 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 2hiv h GLN 21 CO 0.09 0.00 -0.02 1.25 -0.67 0.00 0.00 178.83 179.48 2hiv h LEU 22 N 0.00 -0.05 -0.59 1.46 6.46 -1.20 -0.54 115.31 120.85 2hiv h LEU 22 Ca 0.04 -0.56 0.10 0.00 -0.12 0.00 0.00 57.88 57.34 2hiv h LEU 22 Cb 0.23 0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 40.10 2hiv h LEU 22 CO -0.00 0.56 0.17 0.74 -0.62 0.00 0.00 178.44 179.29 2hiv h THR 23 N -0.69 0.72 -0.18 1.05 2.02 -0.87 0.30 112.91 115.26 2hiv h THR 23 Ca -0.01 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.05 2hiv h THR 23 Cb 0.60 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 2hiv h THR 23 CO 0.01 0.06 0.08 0.00 0.37 0.00 0.00 175.52 176.03 2hiv h ALA 24 N 1.43 0.23 -0.22 6.16 0.00 -1.23 0.12 119.26 125.75 2hiv h ALA 24 Ca 0.30 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.16 2hiv h ALA 24 Cb 0.40 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 2hiv h ALA 24 CO -0.34 -0.18 -0.16 1.25 0.00 0.00 0.00 179.25 179.82 2hiv h LEU 25 N 0.14 -0.52 -0.30 0.00 6.46 -0.74 -0.84 115.31 119.52 2hiv h LEU 25 Ca 0.06 0.11 -0.09 0.00 -0.12 0.00 0.00 57.88 57.84 2hiv h LEU 25 Cb 0.16 0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.35 2hiv h LEU 25 CO -0.01 -0.20 -0.16 -0.07 -0.62 0.00 0.00 178.44 177.38 2hiv h LEU 26 N -0.16 0.66 -0.60 2.25 3.38 -0.67 -1.22 115.31 118.96 2hiv h LEU 26 Ca 0.13 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 2hiv h LEU 26 Cb 0.35 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2hiv h LEU 26 CO -0.31 0.93 0.37 0.00 0.09 0.00 0.00 178.44 179.52 2hiv h ALA 27 N 0.75 0.76 -0.09 1.53 0.00 -0.69 0.24 119.26 121.77 2hiv h ALA 27 Ca 0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2hiv h ALA 27 Cb 0.69 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2hiv h ALA 27 CO 0.05 0.23 0.05 0.22 0.00 0.00 0.00 179.25 179.80 2hiv h ASP 28 N 0.81 0.10 -0.37 0.00 3.58 -1.12 -0.40 116.42 119.03 2hiv h ASP 28 Ca 0.22 -0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.62 2hiv h ASP 28 Cb -0.04 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 40.97 2hiv h ASP 28 CO -0.04 0.12 0.23 0.25 -2.88 0.00 0.00 179.24 176.91 2hiv h LEU 29 N 0.08 0.44 -0.95 2.28 7.12 -0.51 -1.39 115.31 122.38 2hiv h LEU 29 Ca 0.03 -0.05 -0.06 0.00 0.13 0.00 0.00 57.88 57.93 2hiv h LEU 29 Cb 0.03 -0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 40.03 2hiv h LEU 29 CO -0.01 0.36 0.07 -0.07 -0.13 0.00 0.00 178.44 178.66 2hiv h LEU 30 N 0.49 0.79 0.00 2.25 3.38 -0.39 -2.40 115.31 119.43 2hiv h LEU 30 Ca 0.13 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 2hiv h LEU 30 Cb -0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 2hiv h LEU 30 CO -0.03 0.81 -0.61 0.77 0.09 0.00 0.00 178.44 179.47 2hiv h SER 31 N 0.80 0.00 -0.45 -0.43 4.64 -0.74 -2.72 113.55 114.64 2hiv h SER 31 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2hiv h SER 31 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2hiv h SER 31 CO 0.01 0.36 0.00 0.29 -0.87 0.00 0.00 176.83 176.62 2hiv n LYS 32 N -3.08 2.18 -2.48 4.77 5.02 -0.55 -4.92 118.16 119.10 2hiv n LYS 32 Ca 0.00 -1.82 -0.32 0.00 -2.02 0.00 0.00 58.31 54.15 2hiv n LYS 32 Cb 0.69 -1.42 -0.04 0.00 -0.02 0.00 0.00 35.03 34.24 2hiv n LYS 32 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2hiv s SER 33 N -1.16 6.68 -0.37 4.39 0.01 -0.91 -4.99 113.70 117.35 2hiv s SER 33 Ca 0.35 1.59 -0.27 0.00 1.31 0.00 0.00 55.95 58.93 2hiv s SER 33 Cb 0.19 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 2hiv s SER 33 CO 0.25 -0.54 2.11 -0.62 0.41 0.00 0.00 173.24 174.85 2hiv s ASP 34 N -2.91 5.26 0.56 2.44 -1.08 -1.26 -4.87 116.67 114.82 2hiv s ASP 34 Ca 0.59 1.31 0.33 0.00 -0.52 0.00 0.00 52.55 54.26 2hiv s ASP 34 Cb -0.10 -2.51 1.47 0.00 -1.46 0.00 0.00 42.92 40.32 2hiv s ASP 34 CO 0.28 -2.20 1.82 0.07 0.52 0.00 0.00 175.17 175.65 2hiv h LYS 35 N 15.71 0.00 -0.01 4.34 2.10 -1.94 -1.35 116.57 135.43 2hiv h LYS 35 Ca -0.33 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.26 2hiv h LYS 35 Cb 1.22 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.54 2hiv h LYS 35 CO 1.07 0.00 -0.33 1.15 -2.00 0.00 0.00 179.45 179.34 2hiv h THR 36 N 0.00 1.24 0.00 0.07 2.02 -2.00 -3.24 112.91 111.00 2hiv h THR 36 Ca 0.43 -1.13 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 2hiv h THR 36 Cb 1.88 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 69.88 2hiv h THR 36 CO -0.00 0.32 -0.32 2.30 0.37 0.00 0.00 175.52 178.19 2hiv n ILE 37 N -4.15 1.95 -0.24 3.11 -5.35 -0.53 -4.77 119.36 109.40 2hiv n ILE 37 Ca -0.02 -2.70 0.15 0.00 -0.27 0.00 0.00 62.75 59.90 2hiv n ILE 37 Cb 0.37 -0.18 0.44 0.00 -1.74 0.00 0.00 39.64 38.53 2hiv n ILE 37 CO 0.00 0.00 0.00 -0.29 -1.76 0.00 0.00 176.55 174.50 2hiv h ILE 38 N 0.96 0.78 0.00 7.28 6.09 -1.55 -1.21 117.51 129.86 2hiv h ILE 38 Ca -0.01 -0.19 0.00 0.00 -1.37 0.00 0.00 64.86 63.29 2hiv h ILE 38 Cb 1.04 0.18 0.00 0.00 0.47 0.00 0.00 36.82 38.51 2hiv h ILE 38 CO 0.00 0.10 0.00 -2.24 -3.07 0.00 0.00 178.15 172.94 2hiv h ASP 39 N 0.56 0.00 0.05 2.19 -0.00 -1.86 -1.44 116.42 115.91 2hiv h ASP 39 Ca 0.44 0.00 -0.37 0.00 -0.00 0.00 0.00 57.03 57.10 2hiv h ASP 39 Cb 0.86 0.00 -0.04 0.00 -0.00 0.00 0.00 39.33 40.15 2hiv h ASP 39 CO -0.18 0.00 -2.14 0.29 -0.00 0.00 0.00 179.24 177.21 2hiv n LYS 40 N -2.37 0.67 -0.25 4.15 5.02 -0.49 -4.39 118.16 120.49 2hiv n LYS 40 Ca 0.01 0.27 0.04 0.00 -2.02 0.00 0.00 58.31 56.60 2hiv n LYS 40 Cb 0.18 -1.62 0.17 0.00 -0.02 0.00 0.00 35.03 33.74 2hiv n LYS 40 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2hiv h VAL 41 N -0.24 0.70 -0.03 -0.18 2.07 -0.99 -1.20 116.25 116.38 2hiv h VAL 41 Ca -0.51 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 66.86 2hiv h VAL 41 Cb 1.83 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2hiv h VAL 41 CO -0.08 0.08 0.03 -0.37 0.02 0.00 0.00 177.57 177.25 2hiv h VAL 42 N 0.46 0.51 0.07 2.57 -1.51 -1.49 -1.53 116.25 115.33 2hiv h VAL 42 Ca 0.39 0.00 -0.37 0.00 -1.23 0.00 0.00 66.70 65.49 2hiv h VAL 42 Cb 0.56 0.97 -0.04 0.00 -2.13 0.00 0.00 31.29 30.65 2hiv h VAL 42 CO -0.37 0.00 -2.19 -1.22 -1.23 0.00 0.00 177.57 172.56 2hiv n TYR 43 N -3.83 0.70 -0.23 5.19 4.02 -0.87 -4.23 117.16 117.92 2hiv n TYR 43 Ca -0.02 0.15 0.03 0.00 -0.01 0.00 0.00 57.90 58.05 2hiv n TYR 43 Cb 0.12 -1.09 0.15 0.00 -0.02 0.00 0.00 39.34 38.50 2hiv n TYR 43 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 2hiv h ILE 44 N -0.02 0.67 0.00 -0.72 2.04 -0.18 0.98 117.51 120.28 2hiv h ILE 44 Ca -0.49 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.24 2hiv h ILE 44 Cb 1.95 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 2hiv h ILE 44 CO -0.01 0.07 0.00 0.16 0.00 0.00 0.00 178.15 178.37 2hiv h ILE 45 N 0.37 0.00 -0.01 -0.67 3.07 -1.49 0.43 117.51 119.21 2hiv h ILE 45 Ca 0.36 -0.25 0.00 0.00 1.55 0.00 0.00 64.86 66.52 2hiv h ILE 45 Cb 0.53 1.07 0.00 0.00 -0.27 0.00 0.00 36.82 38.15 2hiv h ILE 45 CO -0.39 0.00 -0.21 0.00 -1.05 0.00 0.00 178.15 176.50 2hiv n GLN 46 N -2.63 1.27 -1.05 0.16 6.02 -0.52 -4.94 117.38 115.70 2hiv n GLN 46 Ca 0.00 -0.85 0.00 0.00 -0.01 0.00 0.00 57.00 56.14 2hiv n GLN 46 Cb 0.20 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.98 2hiv n GLN 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2hiv n GLY 47 N 1.32 0.82 3.33 1.08 0.00 0.15 -4.79 105.19 107.10 2hiv n GLY 47 Ca 0.14 -0.63 -0.17 0.00 0.00 0.00 0.00 46.02 45.36 2hiv n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hiv s LYS 48 N -2.31 1.39 -0.08 1.61 1.02 0.22 -4.97 119.74 116.62 2hiv s LYS 48 Ca 0.00 -1.73 0.15 0.00 0.02 0.00 0.00 55.97 54.41 2hiv s LYS 48 Cb 0.00 -0.50 -0.22 0.00 -0.52 0.00 0.00 37.83 36.60 2hiv s LYS 48 CO 0.00 -0.18 0.21 1.28 -0.92 0.00 0.00 175.35 175.74 2hiv n LEU 49 N -0.46 0.00 -3.62 3.17 4.77 -1.26 -1.54 117.00 118.06 2hiv n LEU 49 Ca -0.03 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.87 2hiv n LEU 49 Cb 0.65 0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.89 2hiv n LEU 49 CO 0.38 0.17 0.57 -1.66 -1.33 0.00 0.00 177.39 175.51 2hiv s TRP 50 N -2.75 -0.31 0.63 -1.77 -2.14 -1.26 -4.80 118.94 106.53 2hiv s TRP 50 Ca -0.06 0.04 -0.16 0.00 2.66 0.00 0.00 56.10 58.58 2hiv s TRP 50 Cb 0.07 0.61 -0.02 0.00 -3.10 0.00 0.00 33.47 31.04 2hiv s TRP 50 CO 0.63 -0.85 1.10 -1.25 -2.66 0.00 0.00 176.95 173.92 2hiv s PRO 51 N -3.51 2.98 0.40 3.25 0.04 -1.26 -4.91 135.00 131.99 2hiv s PRO 51 Ca 0.07 1.38 0.10 0.00 0.04 0.00 0.00 61.00 62.58 2hiv s PRO 51 Cb -0.02 -1.97 0.89 0.00 0.04 0.00 0.00 34.50 33.44 2hiv s PRO 51 CO -0.04 -1.11 1.99 -0.44 0.04 0.00 0.00 177.00 177.44 2hiv h ASP 52 N 0.26 0.49 0.46 6.66 3.45 -1.96 -2.75 116.42 123.03 2hiv h ASP 52 Ca -0.47 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.99 2hiv h ASP 52 Cb 1.24 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.91 2hiv h ASP 52 CO 0.55 0.32 0.00 2.19 -1.57 0.00 0.00 179.24 180.73 2hiv h PHE 53 N 0.56 0.00 0.00 4.55 -5.15 -1.91 -1.56 116.94 113.43 2hiv h PHE 53 Ca 0.26 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 58.00 2hiv h PHE 53 Cb 0.32 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.48 2hiv h PHE 53 CO -0.00 0.00 -0.18 -0.07 -2.00 0.00 0.00 178.31 176.06 2hiv h LEU 54 N 0.00 0.00 0.09 2.10 3.38 -1.81 -3.37 115.31 115.70 2hiv h LEU 54 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2hiv h LEU 54 Cb 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2hiv h LEU 54 CO 0.00 0.18 -0.04 0.61 0.09 0.00 0.00 178.44 179.28 2hiv n GLY 55 N -0.08 0.53 3.83 0.83 0.00 -0.59 -4.98 105.19 104.74 2hiv n GLY 55 Ca -0.00 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 2hiv n GLY 55 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2hiv s TYR 56 N -2.07 3.29 0.26 1.61 2.02 -1.26 -4.97 117.35 116.24 2hiv s TYR 56 Ca 0.00 1.48 -0.30 0.00 -0.37 0.00 0.00 57.07 57.88 2hiv s TYR 56 Cb 0.00 -2.87 -0.14 0.00 -0.40 0.00 0.00 41.96 38.55 2hiv s TYR 56 CO 0.00 -0.65 1.18 -2.30 -1.57 0.00 0.00 175.55 172.20 2hiv n PRO 57 N -1.80 1.59 -2.38 -1.71 -0.02 -1.26 -4.96 135.00 124.46 2hiv n PRO 57 Ca 0.07 0.56 -0.35 0.00 -2.02 0.00 0.00 63.50 61.76 2hiv n PRO 57 Cb 0.54 -2.06 -0.02 0.00 -0.02 0.00 0.00 33.50 31.94 2hiv n PRO 57 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2hiv s GLU 58 N -1.11 3.66 -0.00 -0.52 2.02 -1.26 -4.85 118.70 116.63 2hiv s GLU 58 Ca 0.63 1.55 -0.30 0.00 0.02 0.00 0.00 54.97 56.87 2hiv s GLU 58 Cb -0.70 -2.16 -0.04 0.00 0.10 0.00 0.00 34.13 31.33 2hiv s GLU 58 CO 0.56 -0.58 1.24 -1.17 0.02 0.00 0.00 175.26 175.33 2hiv s LEU 59 N -3.44 4.32 -0.12 1.80 0.20 -1.26 -4.85 118.68 115.33 2hiv s LEU 59 Ca 0.68 1.94 -0.33 0.00 0.69 0.00 0.00 54.13 57.10 2hiv s LEU 59 Cb -0.22 -3.57 0.13 0.00 -0.43 0.00 0.00 46.19 42.10 2hiv s LEU 59 CO 0.26 -0.57 1.17 -0.83 -0.29 0.00 0.00 176.35 176.09 2hiv s GLY 60 N 1.40 -0.33 -0.03 7.98 0.00 -1.25 -4.67 107.32 110.41 2hiv s GLY 60 Ca 0.58 1.32 -0.15 0.00 0.00 0.00 0.00 44.72 46.47 2hiv s GLY 60 CO 0.25 0.42 0.33 -1.50 0.00 0.00 0.00 173.10 172.60 2hiv s ILE 61 N -2.55 0.05 0.36 0.90 2.07 -1.26 -4.90 121.20 115.87 2hiv s ILE 61 Ca 0.10 -0.39 -0.25 0.00 -1.41 0.00 0.00 60.65 58.69 2hiv s ILE 61 Cb -0.00 -0.61 -0.12 0.00 0.13 0.00 0.00 42.46 41.85 2hiv s ILE 61 CO -0.05 -0.22 0.91 0.61 -1.91 0.00 0.00 174.94 174.28 2hiv n GLY 62 N 1.47 -0.51 0.37 1.50 0.00 -1.26 -4.78 105.19 101.98 2hiv n GLY 62 Ca -0.20 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hiv n GLY 62 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2hiv h GLU 63 N 1.56 1.15 -0.69 1.61 4.81 -2.00 -0.46 114.58 120.56 2hiv h GLU 63 Ca -0.41 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 58.75 2hiv h GLU 63 Cb 1.35 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 2hiv h GLU 63 CO 0.57 0.76 0.42 0.87 -0.73 0.00 0.00 179.01 180.90 2hiv h LYS 64 N 1.18 0.93 -0.21 1.92 1.57 -1.99 -0.20 116.57 119.77 2hiv h LYS 64 Ca 0.35 -0.08 -0.19 0.00 -1.87 0.00 0.00 60.65 58.87 2hiv h LYS 64 Cb -0.05 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.06 2hiv h LYS 64 CO -0.09 0.65 -0.62 0.74 -0.57 0.00 0.00 179.45 179.55 2hiv h PHE 65 N 0.95 0.95 -0.64 -1.35 0.05 -1.68 -0.86 116.94 114.35 2hiv h PHE 65 Ca 0.25 -0.37 0.02 0.00 3.82 0.00 0.00 57.97 61.69 2hiv h PHE 65 Cb -0.05 -0.17 -0.04 0.00 2.00 0.00 0.00 35.95 37.70 2hiv h PHE 65 CO 0.00 1.17 0.41 1.25 -0.18 0.00 0.00 178.31 180.96 2hiv h LEU 66 N 0.55 0.70 -0.96 1.54 6.46 -0.69 -0.02 115.31 122.88 2hiv h LEU 66 Ca -0.01 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 2hiv h LEU 66 Cb 1.22 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 40.94 2hiv h LEU 66 CO 0.13 0.50 0.55 0.40 -0.62 0.00 0.00 178.44 179.39 2hiv h ILE 67 N 0.83 1.26 -0.12 4.05 2.04 -0.76 -0.51 117.51 124.29 2hiv h ILE 67 Ca 0.25 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.53 2hiv h ILE 67 Cb -0.04 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 35.99 2hiv h ILE 67 CO -0.08 0.27 0.08 0.50 0.00 0.00 0.00 178.15 178.93 2hiv h LYS 68 N 1.28 0.16 -0.36 2.37 1.63 -0.64 -0.14 116.57 120.88 2hiv h LYS 68 Ca 0.33 -0.01 0.05 0.00 -0.85 0.00 0.00 60.65 60.17 2hiv h LYS 68 Cb -0.04 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.51 2hiv h LYS 68 CO -0.06 0.12 0.10 0.00 -3.45 0.00 0.00 179.45 176.16 2hiv h ALA 69 N 1.03 0.40 -0.53 5.00 0.00 -0.28 0.56 119.26 125.44 2hiv h ALA 69 Ca 0.04 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2hiv h ALA 69 Cb -0.00 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2hiv h ALA 69 CO -0.01 -0.30 0.27 0.82 0.00 0.00 0.00 179.25 180.03 2hiv h ILE 70 N 0.24 1.19 -0.30 0.00 2.04 -1.04 -0.36 117.51 119.28 2hiv h ILE 70 Ca 0.17 -0.52 0.04 0.00 1.00 0.00 0.00 64.86 65.55 2hiv h ILE 70 Cb 0.17 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 2hiv h ILE 70 CO -0.20 0.21 0.07 -1.28 0.00 0.00 0.00 178.15 176.96 2hiv h SER 71 N 0.72 0.03 -0.22 1.72 0.87 -0.48 -0.19 113.55 116.00 2hiv h SER 71 Ca 0.19 0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.80 2hiv h SER 71 Cb 0.09 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 2hiv h SER 71 CO -0.03 0.05 0.13 0.40 -0.53 0.00 0.00 176.83 176.86 2hiv h ILE 72 N 0.18 1.03 0.00 2.23 2.04 -0.66 -1.79 117.51 120.54 2hiv h ILE 72 Ca 0.14 -0.09 -0.07 0.00 1.00 0.00 0.00 64.86 65.84 2hiv h ILE 72 Cb 0.14 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 2hiv h ILE 72 CO -0.18 0.05 -0.32 0.00 0.00 0.00 0.00 178.15 177.71 2hiv h ALA 73 N 1.10 1.47 -0.13 1.87 0.00 -0.60 -3.05 119.26 119.93 2hiv h ALA 73 Ca 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2hiv h ALA 73 Cb -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2hiv h ALA 73 CO -0.04 0.39 0.00 0.25 0.00 0.00 0.00 179.25 179.85 2hiv n THR 74 N -4.15 0.25 -4.16 0.00 -2.24 -0.12 -4.55 114.28 99.30 2hiv n THR 74 Ca -0.02 -0.62 -0.35 0.00 -2.27 0.00 0.00 64.05 60.79 2hiv n THR 74 Cb 0.36 1.10 -0.02 0.00 -2.10 0.00 0.00 70.33 69.68 2hiv n THR 74 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2hiv n ASN 75 N 0.82 -3.50 -4.40 3.42 5.15 -0.72 -4.98 115.26 111.05 2hiv n ASN 75 Ca 0.10 -0.97 -0.32 0.00 -0.60 0.00 0.00 54.58 52.79 2hiv n ASN 75 Cb 0.39 -2.98 -0.14 0.00 -0.53 0.00 0.00 39.78 36.52 2hiv n ASN 75 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2hiv s THR 76 N -3.31 2.64 0.79 -0.44 2.01 -0.93 -5.06 115.64 111.34 2hiv s THR 76 Ca 0.70 -0.88 -0.12 0.00 0.31 0.00 0.00 61.69 61.70 2hiv s THR 76 Cb -0.38 -1.99 0.07 0.00 0.01 0.00 0.00 72.50 70.21 2hiv s THR 76 CO 0.91 0.58 1.14 1.51 -0.69 0.00 0.00 174.62 178.07 2hiv s ASP 77 N -0.64 4.02 0.42 3.53 3.84 -1.26 -4.40 116.67 122.18 2hiv s ASP 77 Ca 0.10 2.10 0.09 0.00 -0.00 0.00 0.00 52.55 54.83 2hiv s ASP 77 Cb -0.11 -2.56 0.89 0.00 -1.38 0.00 0.00 42.92 39.77 2hiv s ASP 77 CO 0.00 -2.36 2.04 -0.33 -0.00 0.00 0.00 175.17 174.52 2hiv h GLU 78 N -0.97 0.41 -0.13 2.11 5.08 -1.92 -2.53 114.58 116.62 2hiv h GLU 78 Ca -0.45 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2hiv h GLU 78 Cb 1.26 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2hiv h GLU 78 CO 0.48 0.32 0.08 -0.97 -1.00 0.00 0.00 179.01 177.92 2hiv h ASN 79 N 0.41 0.13 -0.64 1.42 -1.24 -1.98 0.24 115.58 113.93 2hiv h ASN 79 Ca 0.11 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.05 2hiv h ASN 79 Cb 0.04 -0.03 -0.03 0.00 0.73 0.00 0.00 38.32 39.04 2hiv h ASN 79 CO -0.02 0.09 0.15 0.77 -1.29 0.00 0.00 177.43 177.14 2hiv h SER 80 N 0.16 0.97 -0.47 1.15 4.64 -1.83 0.16 113.55 118.33 2hiv h SER 80 Ca 0.05 -0.24 -0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2hiv h SER 80 Cb -0.01 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.81 2hiv h SER 80 CO -0.02 0.96 0.29 0.58 -0.87 0.00 0.00 176.83 177.76 2hiv h VAL 81 N 0.94 1.14 -0.18 0.95 2.07 -1.33 -1.07 116.25 118.78 2hiv h VAL 81 Ca 0.20 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.45 2hiv h VAL 81 Cb 0.37 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 2hiv h VAL 81 CO 0.00 0.14 -0.02 -0.08 0.02 0.00 0.00 177.57 177.63 2hiv h GLU 82 N 0.63 0.03 -0.43 1.57 4.57 0.27 -1.94 114.58 119.27 2hiv h GLU 82 Ca 0.17 -0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.25 2hiv h GLU 82 Cb -0.02 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 2hiv h GLU 82 CO -0.03 0.02 -0.13 -0.91 -1.18 0.00 0.00 179.01 176.77 2hiv h ASN 83 N 0.03 0.78 0.03 1.04 2.35 -0.51 -1.76 115.58 117.53 2hiv h ASN 83 Ca 0.08 -0.24 -0.04 0.00 -0.55 0.00 0.00 56.30 55.55 2hiv h ASN 83 Cb 0.12 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 2hiv h ASN 83 CO -0.16 0.93 -0.10 -0.07 -1.65 0.00 0.00 177.43 176.37 2hiv h LEU 84 N 0.71 0.16 -0.68 1.61 3.38 -1.09 -3.10 115.31 116.29 2hiv h LEU 84 Ca 0.12 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 2hiv h LEU 84 Cb 0.62 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2hiv h LEU 84 CO 0.04 0.29 0.03 0.22 0.09 0.00 0.00 178.44 179.11 2hiv h TYR 85 N 0.17 1.13 0.25 1.13 -0.00 -0.51 -1.59 116.97 117.55 2hiv h TYR 85 Ca 0.04 -0.18 0.00 0.00 -0.00 0.00 0.00 58.73 58.59 2hiv h TYR 85 Cb 0.29 -0.30 -0.02 0.00 -0.00 0.00 0.00 36.73 36.70 2hiv h TYR 85 CO 0.00 0.98 -0.22 0.87 -0.00 0.00 0.00 178.16 179.79 2hiv h LYS 86 N 0.97 -0.48 0.00 1.82 1.79 -1.44 0.44 116.57 119.67 2hiv h LYS 86 Ca 0.18 0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.58 2hiv h LYS 86 Cb 0.51 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.26 2hiv h LYS 86 CO 0.02 -0.32 -0.49 1.79 -1.08 0.00 0.00 179.45 179.37 2hiv h THR 87 N -0.50 1.16 0.06 -0.16 1.35 -1.60 -3.30 112.91 109.94 2hiv h THR 87 Ca -0.01 -1.82 -0.37 0.00 -0.55 0.00 0.00 66.41 63.66 2hiv h THR 87 Cb 0.45 2.03 -0.04 0.00 -1.73 0.00 0.00 68.15 68.86 2hiv h THR 87 CO -0.03 0.49 -2.19 -0.38 -0.25 0.00 0.00 175.52 173.15 2hiv n ILE 88 N -3.67 1.64 -0.98 6.82 5.41 -0.61 -5.01 119.36 122.97 2hiv n ILE 88 Ca -0.01 -0.64 0.00 0.00 1.00 0.00 0.00 62.75 63.11 2hiv n ILE 88 Cb 0.56 -1.53 0.00 0.00 -0.71 0.00 0.00 39.64 37.96 2hiv n ILE 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2hiv n GLY 89 N 2.07 0.56 3.02 7.39 0.00 0.15 -4.99 105.19 113.40 2hiv n GLY 89 Ca -0.37 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 2hiv n GLY 89 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2hiv s ASP 90 N -2.27 0.32 0.44 1.61 2.15 -1.26 -5.04 116.67 112.64 2hiv s ASP 90 Ca 0.00 0.59 0.18 0.00 0.43 0.00 0.00 52.55 53.75 2hiv s ASP 90 Cb 0.00 0.79 1.03 0.00 -0.30 0.00 0.00 42.92 44.44 2hiv s ASP 90 CO 0.00 -0.25 1.95 -0.07 -0.17 0.00 0.00 175.17 176.63 2hiv h LEU 91 N 8.27 0.00 -0.12 -1.34 3.38 -1.94 -1.54 115.31 122.02 2hiv h LEU 91 Ca -0.15 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.85 2hiv h LEU 91 Cb 1.12 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 2hiv h LEU 91 CO 0.15 0.23 -0.04 1.23 0.09 0.00 0.00 178.44 180.10 2hiv h GLY 92 N 0.89 0.08 1.16 0.83 0.00 -1.90 0.21 103.07 104.35 2hiv h GLY 92 Ca -0.00 0.05 -0.15 0.00 0.00 0.00 0.00 47.33 47.23 2hiv h GLY 92 CO 0.03 -0.05 -0.31 -2.09 0.00 0.00 0.00 176.54 174.12 2hiv h GLU 93 N -0.01 0.93 -0.15 4.80 4.57 -1.69 -0.51 114.58 122.52 2hiv h GLU 93 Ca 0.06 -0.45 0.05 0.00 -1.18 0.00 0.00 59.36 57.84 2hiv h GLU 93 Cb 0.10 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.63 2hiv h GLU 93 CO -0.13 1.11 -0.18 0.28 -1.18 0.00 0.00 179.01 178.90 2hiv h VAL 94 N 0.78 0.52 -0.51 0.32 2.07 -1.18 0.96 116.25 119.22 2hiv h VAL 94 Ca 0.08 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.69 2hiv h VAL 94 Cb 0.89 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 2hiv h VAL 94 CO 0.08 0.00 0.10 0.00 0.02 0.00 0.00 177.57 177.77 2hiv h ALA 95 N 0.82 0.57 -0.14 1.67 0.00 -0.28 0.11 119.26 122.01 2hiv h ALA 95 Ca 0.11 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.15 2hiv h ALA 95 Cb 0.38 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2hiv h ALA 95 CO -0.28 -0.31 -0.07 -0.09 0.00 0.00 0.00 179.25 178.51 2hiv h ARG 96 N 0.24 -0.05 -0.20 0.00 1.12 -0.47 0.10 114.38 115.13 2hiv h ARG 96 Ca 0.25 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 59.12 2hiv h ARG 96 Cb 0.34 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.31 2hiv h ARG 96 CO -0.33 -0.03 0.09 0.00 -3.11 0.00 0.00 179.97 176.59 2hiv h ARG 97 N -0.05 0.28 0.00 0.20 3.08 -0.29 0.36 114.38 117.96 2hiv h ARG 97 Ca 0.08 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.03 2hiv h ARG 97 Cb 0.17 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2hiv h ARG 97 CO -0.17 0.31 -0.26 -0.07 -1.07 0.00 0.00 179.97 178.70 2hiv h LEU 98 N 0.19 0.00 -0.10 3.04 3.38 -0.84 -1.78 115.31 119.20 2hiv h LEU 98 Ca 0.07 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.85 2hiv h LEU 98 Cb 0.12 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.88 2hiv h LEU 98 CO -0.01 0.26 -0.65 0.11 0.09 0.00 0.00 178.44 178.24 2hiv h LYS 99 N 0.00 0.62 -0.00 1.13 1.57 -0.39 -3.28 116.57 116.22 2hiv h LYS 99 Ca -0.00 -0.53 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 2hiv h LYS 99 Cb 0.55 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.98 2hiv h LYS 99 CO 0.03 1.15 -0.01 -1.13 -0.57 0.00 0.00 179.45 178.93 2hiv n SER 100 N -4.10 0.28 0.13 0.86 3.41 0.08 -2.42 113.62 111.86 2hiv n SER 100 Ca -0.08 -1.01 0.12 0.00 -0.26 0.00 0.00 58.87 57.64 2hiv n SER 100 Cb 0.68 -0.02 0.12 0.00 -0.26 0.00 0.00 64.21 64.73 2hiv n SER 100 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 2hiv h LYS 101 N 0.42 0.00 0.00 4.33 2.10 -1.38 -3.50 116.57 118.54 2hiv h LYS 101 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2hiv h LYS 101 Cb 0.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 2hiv h LYS 101 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.45 2hiv n GLN 102 N -2.67 0.00 0.00 0.07 10.64 -1.02 -5.11 117.38 119.29 2hiv n GLN 102 Ca 0.02 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.19 2hiv n GLN 102 Cb 0.51 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.89 2hiv n GLN 102 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2hiv n LYS 116 N 0.00 1.15 -2.33 2.61 4.01 -1.26 -4.93 118.16 117.41 2hiv n LYS 116 Ca 0.00 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.38 2hiv n LYS 116 Cb 0.00 -0.90 -0.03 0.00 -0.51 0.00 0.00 35.03 33.59 2hiv n LYS 116 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 2hiv s GLU 117 N -1.72 4.28 0.51 1.97 2.56 -1.26 -5.01 118.70 120.03 2hiv s GLU 117 Ca 0.00 1.81 -0.18 0.00 0.00 0.00 0.00 54.97 56.60 2hiv s GLU 117 Cb 0.00 -3.66 -0.08 0.00 2.00 0.00 0.00 34.13 32.40 2hiv s GLU 117 CO 0.00 -0.59 1.00 -1.54 -0.56 0.00 0.00 175.26 173.56 2hiv s SER 118 N 1.91 6.51 0.19 -1.70 1.04 -1.26 -4.98 113.70 115.41 2hiv s SER 118 Ca 0.60 1.68 -0.33 0.00 0.48 0.00 0.00 55.95 58.38 2hiv s SER 118 Cb -0.27 -2.53 -0.14 0.00 0.10 0.00 0.00 66.02 63.19 2hiv s SER 118 CO 0.22 -0.66 1.51 0.18 0.98 0.00 0.00 173.24 175.47 2hiv n LEU 119 N -1.39 3.09 -4.90 2.42 4.77 -1.26 -4.91 117.00 114.81 2hiv n LEU 119 Ca 0.07 1.11 -0.29 0.00 -0.03 0.00 0.00 56.01 56.87 2hiv n LEU 119 Cb 0.54 -1.42 -0.04 0.00 -2.33 0.00 0.00 43.42 40.16 2hiv n LEU 119 CO 0.44 -0.38 0.12 0.42 -1.33 0.00 0.00 177.39 176.66 2hiv s THR 120 N 0.50 5.09 0.32 -5.08 -4.23 -1.26 -0.24 115.64 110.73 2hiv s THR 120 Ca 0.74 0.01 0.01 0.00 -1.18 0.00 0.00 61.69 61.27 2hiv s THR 120 Cb -0.67 -3.69 0.27 0.00 1.34 0.00 0.00 72.50 69.75 2hiv s THR 120 CO 0.43 -0.17 1.95 0.58 -0.54 0.00 0.00 174.62 176.87 2hiv h VAL 121 N 1.64 1.13 -0.34 2.29 2.07 -1.42 -1.63 116.25 119.99 2hiv h VAL 121 Ca -0.47 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 66.75 2hiv h VAL 121 Cb 1.18 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 2hiv h VAL 121 CO 0.68 0.18 0.07 0.44 0.02 0.00 0.00 177.57 178.97 2hiv h ASP 122 N 1.00 0.03 -0.25 0.57 3.32 -1.94 0.21 116.42 119.36 2hiv h ASP 122 Ca 0.32 0.05 -0.11 0.00 0.02 0.00 0.00 57.03 57.32 2hiv h ASP 122 Cb 0.04 0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 2hiv h ASP 122 CO -0.10 0.05 -0.28 1.05 -1.72 0.00 0.00 179.24 178.25 2hiv h GLU 123 N 0.19 0.63 -0.54 3.56 4.11 -1.83 -0.36 114.58 120.34 2hiv h GLU 123 Ca 0.16 -0.34 0.10 0.00 0.07 0.00 0.00 59.36 59.34 2hiv h GLU 123 Cb 0.17 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.36 2hiv h GLU 123 CO -0.20 0.94 0.10 0.28 0.07 0.00 0.00 179.01 180.20 2hiv h VAL 124 N 0.34 0.67 0.07 -1.06 2.07 -1.16 0.35 116.25 117.53 2hiv h VAL 124 Ca 0.04 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 2hiv h VAL 124 Cb 0.84 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2hiv h VAL 124 CO 0.07 0.04 -0.03 0.22 0.02 0.00 0.00 177.57 177.89 2hiv h TYR 125 N 0.23 -0.09 -0.62 1.57 3.20 -0.43 0.54 116.97 121.37 2hiv h TYR 125 Ca 0.28 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.07 2hiv h TYR 125 Cb 0.39 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 2hiv h TYR 125 CO -0.25 0.16 0.11 0.66 -1.64 0.00 0.00 178.16 177.20 2hiv h SER 126 N -0.34 0.96 -0.02 -2.11 4.64 -0.74 -0.33 113.55 115.61 2hiv h SER 126 Ca -0.01 -0.21 -0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2hiv h SER 126 Cb 0.29 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2hiv h SER 126 CO 0.02 0.95 -0.00 0.74 -0.87 0.00 0.00 176.83 177.67 2hiv h THR 127 N 0.95 1.28 -0.26 2.95 2.02 -0.25 -1.91 112.91 117.69 2hiv h THR 127 Ca 0.19 -0.83 -0.04 0.00 0.77 0.00 0.00 66.41 66.51 2hiv h THR 127 Cb 0.40 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 2hiv h THR 127 CO 0.01 0.22 -0.00 -0.07 0.37 0.00 0.00 175.52 176.05 2hiv h LEU 128 N -0.29 0.35 -0.14 2.58 3.38 -0.76 -0.61 115.31 119.83 2hiv h LEU 128 Ca 0.01 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2hiv h LEU 128 Cb 0.36 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2hiv h LEU 128 CO 0.00 0.42 0.09 0.28 0.09 0.00 0.00 178.44 179.32 2hiv h SER 129 N 0.37 0.16 -0.30 -0.43 0.02 -0.98 -0.67 113.55 111.72 2hiv h SER 129 Ca 0.08 -0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.08 2hiv h SER 129 Cb 0.26 -0.04 -0.06 0.00 0.14 0.00 0.00 62.40 62.69 2hiv h SER 129 CO 0.01 0.13 -0.10 0.11 -1.14 0.00 0.00 176.83 175.83 2hiv h LYS 130 N 0.18 -0.04 -0.98 3.45 1.57 -0.59 0.58 116.57 120.75 2hiv h LYS 130 Ca 0.05 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.89 2hiv h LYS 130 Cb -0.01 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.24 2hiv h LYS 130 CO -0.01 -0.03 0.63 0.28 -0.57 0.00 0.00 179.45 179.75 2hiv h VAL 131 N -0.04 1.09 -0.44 0.50 2.07 -0.79 -0.22 116.25 118.42 2hiv h VAL 131 Ca 0.15 -0.40 -0.11 0.00 0.82 0.00 0.00 66.70 67.17 2hiv h VAL 131 Cb 0.27 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 2hiv h VAL 131 CO -0.33 0.21 -0.14 0.00 0.02 0.00 0.00 177.57 177.33 2hiv h ALA 132 N 1.44 0.61 0.00 1.67 0.00 -0.36 -3.34 119.26 119.28 2hiv h ALA 132 Ca 0.42 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2hiv h ALA 132 Cb 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2hiv h ALA 132 CO -0.17 0.53 -1.11 1.28 0.00 0.00 0.00 179.25 179.78 2hiv n LEU 133 N -4.24 0.86 -4.70 0.00 4.77 0.13 -4.72 117.00 109.08 2hiv n LEU 133 Ca -0.01 0.34 -0.42 0.00 -0.03 0.00 0.00 56.01 55.90 2hiv n LEU 133 Cb 0.40 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.44 2hiv n LEU 133 CO 0.44 -0.10 1.23 0.28 -1.33 0.00 0.00 177.39 177.91 2hiv s THR 134 N -3.25 2.98 0.21 -5.08 -1.32 -0.13 -5.01 115.64 104.04 2hiv s THR 134 Ca -0.01 0.59 -0.00 0.00 -1.21 0.00 0.00 61.69 61.06 2hiv s THR 134 Cb 0.09 -3.38 -0.04 0.00 -1.51 0.00 0.00 72.50 67.66 2hiv s THR 134 CO 0.80 0.02 0.11 0.42 -2.21 0.00 0.00 174.62 173.76 2hiv s THR 135 N 1.80 0.25 0.00 5.08 -4.23 -1.26 -4.91 115.64 112.37 2hiv s THR 135 Ca 0.70 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 2hiv s THR 135 Cb -0.40 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 70.94 2hiv s THR 135 CO 0.31 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.94 2hiv n GLY 136 N -0.33 -0.54 0.08 3.99 0.00 -1.26 -4.51 105.19 102.63 2hiv n GLY 136 Ca 0.00 -1.44 -0.13 0.00 0.00 0.00 0.00 46.02 44.45 2hiv n GLY 136 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2hiv h GLU 137 N 0.00 0.11 -0.44 1.61 4.81 -2.06 -3.09 114.58 115.53 2hiv h GLU 137 Ca 0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2hiv h GLU 137 Cb 0.00 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2hiv h GLU 137 CO 0.00 0.63 0.00 0.41 -0.73 0.00 0.00 179.01 179.32 2hiv n GLY 138 N 0.38 0.67 0.13 1.92 0.00 -1.26 -4.38 105.19 102.65 2hiv n GLY 138 Ca -0.08 -0.25 -0.16 0.00 0.00 0.00 0.00 46.02 45.53 2hiv n GLY 138 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2hiv h SER 139 N 1.26 0.44 -0.47 1.61 4.64 -1.77 -2.25 113.55 117.01 2hiv h SER 139 Ca 0.00 -0.69 0.08 0.00 -0.47 0.00 0.00 61.79 60.70 2hiv h SER 139 Cb 0.51 -0.13 -0.10 0.00 -0.31 0.00 0.00 62.40 62.38 2hiv h SER 139 CO 0.05 1.06 -0.42 -0.09 -0.87 0.00 0.00 176.83 176.57 2hiv h ARG 140 N -0.16 -0.27 -0.33 4.77 2.43 -1.79 0.26 114.38 119.28 2hiv h ARG 140 Ca -0.04 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.04 2hiv h ARG 140 Cb 1.09 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 2hiv h ARG 140 CO 0.08 -0.18 -0.24 -0.44 -1.51 0.00 0.00 179.97 177.68 2hiv h ASP 141 N -0.28 0.67 -0.15 -3.80 3.32 -1.86 -1.73 116.42 112.59 2hiv h ASP 141 Ca 0.16 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 2hiv h ASP 141 Cb 0.57 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 2hiv h ASP 141 CO -0.61 0.89 0.03 0.25 -1.72 0.00 0.00 179.24 178.09 2hiv h LEU 142 N 0.58 0.23 -0.22 1.55 5.85 -0.98 -1.14 115.31 121.18 2hiv h LEU 142 Ca 0.08 -0.23 0.05 0.00 0.84 0.00 0.00 57.88 58.61 2hiv h LEU 142 Cb 0.72 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 2hiv h LEU 142 CO 0.06 0.41 -0.10 0.11 -0.34 0.00 0.00 178.44 178.57 2hiv h LYS 143 N 0.04 -0.06 -0.09 1.25 1.57 -0.30 0.34 116.57 119.33 2hiv h LYS 143 Ca 0.05 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.86 2hiv h LYS 143 Cb 0.27 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 2hiv h LYS 143 CO 0.00 -0.04 -0.09 0.82 -0.57 0.00 0.00 179.45 179.56 2hiv h ILE 144 N -0.07 0.73 -0.26 1.86 2.04 -1.19 -0.09 117.51 120.53 2hiv h ILE 144 Ca 0.12 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.99 2hiv h ILE 144 Cb 0.24 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2hiv h ILE 144 CO -0.26 0.00 0.12 0.03 0.00 0.00 0.00 178.15 178.04 2hiv h ARG 145 N -0.12 0.25 -0.34 2.37 3.08 -0.87 -0.04 114.38 118.71 2hiv h ARG 145 Ca 0.07 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.15 2hiv h ARG 145 Cb 0.22 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 2hiv h ARG 145 CO -0.16 0.17 0.09 -0.07 -1.07 0.00 0.00 179.97 178.92 2hiv h LEU 146 N 0.26 0.05 -0.45 3.04 3.38 -0.69 -0.78 115.31 120.11 2hiv h LEU 146 Ca 0.11 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 2hiv h LEU 146 Cb 0.04 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2hiv h LEU 146 CO -0.08 0.07 0.06 -0.07 0.09 0.00 0.00 178.44 178.51 2hiv h LEU 147 N 0.21 0.73 -0.37 1.67 3.38 -0.76 -2.06 115.31 118.11 2hiv h LEU 147 Ca 0.16 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.87 2hiv h LEU 147 Cb 0.17 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2hiv h LEU 147 CO -0.19 0.81 0.23 0.00 0.09 0.00 0.00 178.44 179.38 2hiv h ALA 148 N 0.94 0.47 -0.76 1.53 0.00 -0.79 0.23 119.26 120.89 2hiv h ALA 148 Ca 0.14 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.08 2hiv h ALA 148 Cb 0.40 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 2hiv h ALA 148 CO 0.01 -0.10 0.46 0.78 0.00 0.00 0.00 179.25 180.40 2hiv h GLY 149 N 0.47 1.12 0.96 0.00 0.00 -1.06 0.10 103.07 104.67 2hiv h GLY 149 Ca 0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 2hiv h GLY 149 CO -0.05 0.24 -0.05 1.41 0.00 0.00 0.00 176.54 178.09 2hiv h LEU 150 N 0.86 -0.12 -1.45 3.11 3.38 -0.84 -2.00 115.31 118.25 2hiv h LEU 150 Ca 0.33 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.21 2hiv h LEU 150 Cb 0.13 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2hiv h LEU 150 CO -0.16 -0.05 -0.23 -0.07 0.09 0.00 0.00 178.44 178.03 2hiv h LEU 151 N -0.19 0.07 -0.12 1.67 3.38 -0.16 0.22 115.31 120.18 2hiv h LEU 151 Ca -0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2hiv h LEU 151 Cb 0.15 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2hiv h LEU 151 CO 0.02 0.30 0.03 0.50 0.09 0.00 0.00 178.44 179.38 2hiv h LYS 152 N 0.07 0.19 -0.04 1.13 3.64 -0.67 -3.07 116.57 117.81 2hiv h LYS 152 Ca 0.01 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.23 2hiv h LYS 152 Cb 0.44 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2hiv h LYS 152 CO 0.03 0.37 -0.50 -0.22 -2.27 0.00 0.00 179.45 176.86 2hiv h LYS 153 N -0.02 0.10 -7.00 1.90 3.64 -0.85 -3.44 116.57 110.90 2hiv h LYS 153 Ca 0.04 -0.06 -0.55 0.00 -1.27 0.00 0.00 60.65 58.81 2hiv h LYS 153 Cb 0.26 0.00 0.14 0.00 -0.41 0.00 0.00 32.23 32.22 2hiv h LYS 153 CO 0.00 0.58 0.61 0.00 -2.27 0.00 0.00 179.45 178.37 2hiv n ALA 154 N -2.46 1.65 -1.80 5.00 0.00 0.02 -4.43 120.51 118.49 2hiv n ALA 154 Ca -0.02 0.17 -0.29 0.00 0.00 0.00 0.00 53.44 53.30 2hiv n ALA 154 Cb 0.52 -2.35 0.09 0.00 0.00 0.00 0.00 19.45 17.71 2hiv n ALA 154 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2hiv s ASP 155 N -0.77 4.57 0.22 0.00 3.84 -1.26 -4.76 116.67 118.51 2hiv s ASP 155 Ca 0.68 0.95 -0.13 0.00 -0.00 0.00 0.00 52.55 54.05 2hiv s ASP 155 Cb -0.43 -1.55 0.27 0.00 -1.38 0.00 0.00 42.92 39.83 2hiv s ASP 155 CO 0.52 -1.88 1.61 -0.65 -0.00 0.00 0.00 175.17 174.77 2hiv h PRO 156 N -1.03 -0.02 -0.39 2.11 0.11 -1.87 -0.57 132.00 130.34 2hiv h PRO 156 Ca -0.47 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.51 2hiv h PRO 156 Cb 1.31 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 2hiv h PRO 156 CO 0.64 -0.01 -0.30 1.25 -0.21 0.00 0.00 178.00 179.37 2hiv h LEU 157 N -0.02 0.88 -0.66 2.35 5.85 -1.93 -2.23 115.31 119.55 2hiv h LEU 157 Ca 0.34 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2hiv h LEU 157 Cb 0.53 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 2hiv h LEU 157 CO -0.74 1.11 0.42 -0.33 -0.34 0.00 0.00 178.44 178.55 2hiv h GLU 158 N 0.72 0.89 -0.65 1.25 5.08 -1.76 -2.47 114.58 117.62 2hiv h GLU 158 Ca 0.08 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2hiv h GLU 158 Cb 0.85 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 2hiv h GLU 158 CO 0.07 0.61 0.42 0.00 -1.00 0.00 0.00 179.01 179.12 2hiv h ALA 159 N 1.22 0.83 -0.37 3.43 0.00 -0.84 0.22 119.26 123.76 2hiv h ALA 159 Ca 0.24 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.16 2hiv h ALA 159 Cb -0.06 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 2hiv h ALA 159 CO -0.05 0.22 0.11 -0.22 0.00 0.00 0.00 179.25 179.32 2hiv h LYS 160 N 0.85 0.25 0.00 0.00 3.64 -1.11 -0.48 116.57 119.73 2hiv h LYS 160 Ca 0.25 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.54 2hiv h LYS 160 Cb -0.06 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 2hiv h LYS 160 CO -0.07 0.17 -0.51 0.74 -2.27 0.00 0.00 179.45 177.51 2hiv h PHE 161 N 0.26 0.00 -0.47 1.91 -1.00 -0.95 -2.07 116.94 114.62 2hiv h PHE 161 Ca 0.17 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.88 2hiv h PHE 161 Cb 0.16 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.70 2hiv h PHE 161 CO -0.16 0.31 0.03 -0.07 -1.61 0.00 0.00 178.31 176.81 2hiv h LEU 162 N 0.00 0.80 0.48 1.54 3.38 -0.37 -0.52 115.31 120.62 2hiv h LEU 162 Ca -0.02 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 2hiv h LEU 162 Cb 1.26 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2hiv h LEU 162 CO 0.04 0.89 -0.23 0.58 0.09 0.00 0.00 178.44 179.81 2hiv h VAL 163 N 0.68 0.52 -0.85 1.22 2.07 -0.93 -1.99 116.25 116.97 2hiv h VAL 163 Ca 0.14 -0.07 0.12 0.00 0.82 0.00 0.00 66.70 67.71 2hiv h VAL 163 Cb 0.47 0.55 -0.08 0.00 -1.52 0.00 0.00 31.29 30.71 2hiv h VAL 163 CO 0.02 0.01 0.47 0.03 0.02 0.00 0.00 177.57 178.12 2hiv h ARG 164 N -0.69 0.70 0.53 1.57 3.08 -1.34 -0.80 114.38 117.43 2hiv h ARG 164 Ca -0.07 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 2hiv h ARG 164 Cb 0.52 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 2hiv h ARG 164 CO 0.11 0.47 -0.35 0.35 -1.07 0.00 0.00 179.97 179.47 2hiv h PHE 165 N 0.73 -0.94 -0.97 3.04 3.57 -0.87 0.69 116.94 122.18 2hiv h PHE 165 Ca 0.44 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.97 2hiv h PHE 165 Cb 0.51 0.34 -0.06 0.00 2.79 0.00 0.00 35.95 39.53 2hiv h PHE 165 CO -0.07 -0.53 0.63 0.28 -2.23 0.00 0.00 178.31 176.40 2hiv h VAL 166 N -0.85 1.17 0.00 1.41 2.07 -0.97 -0.98 116.25 118.10 2hiv h VAL 166 Ca -0.06 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2hiv h VAL 166 Cb 0.70 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2hiv h VAL 166 CO 0.04 0.22 0.00 -0.62 0.02 0.00 0.00 177.57 177.24 2hiv n GLU 167 N -4.47 0.12 -3.42 1.57 1.02 -0.34 -3.90 120.64 111.22 2hiv n GLU 167 Ca 0.13 0.40 -0.22 0.00 -0.02 0.00 0.00 57.16 57.45 2hiv n GLU 167 Cb 0.09 -1.74 0.07 0.00 -0.02 0.00 0.00 31.44 29.84 2hiv n GLU 167 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2hiv n GLY 168 N -0.23 -0.45 0.39 0.62 0.00 -0.37 -4.94 105.19 100.21 2hiv n GLY 168 Ca 0.02 0.17 0.07 0.00 0.00 0.00 0.00 46.02 46.28 2hiv n GLY 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hiv n ARG 169 N -4.55 0.99 -2.52 1.61 1.74 0.23 -4.89 116.66 109.27 2hiv n ARG 169 Ca -0.01 -2.38 -0.43 0.00 -0.77 0.00 0.00 57.85 54.26 2hiv n ARG 169 Cb 0.57 -1.20 -0.02 0.00 -1.02 0.00 0.00 32.46 30.78 2hiv n ARG 169 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2hiv s LEU 170 N -2.15 4.16 -1.04 0.55 1.43 -1.10 -4.85 118.68 115.68 2hiv s LEU 170 Ca 0.27 1.59 -0.04 0.00 -1.03 0.00 0.00 54.13 54.92 2hiv s LEU 170 Cb 0.26 -3.54 0.30 0.00 0.03 0.00 0.00 46.19 43.23 2hiv s LEU 170 CO -0.02 -0.71 1.36 0.54 0.23 0.00 0.00 176.35 177.75 2hiv n ARG 171 N 6.36 4.15 -0.02 1.70 5.12 -1.26 -4.81 116.66 127.89 2hiv n ARG 171 Ca 0.13 -4.56 -0.15 0.00 -1.93 0.00 0.00 57.85 51.34 2hiv n ARG 171 Cb 0.45 -2.49 -0.10 0.00 -1.16 0.00 0.00 32.46 29.16 2hiv n ARG 171 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2hiv h VAL 172 N 3.44 1.46 -5.38 1.55 2.07 -1.92 -3.48 116.25 114.00 2hiv h VAL 172 Ca 0.20 -1.83 -0.34 0.00 0.82 0.00 0.00 66.70 65.55 2hiv h VAL 172 Cb 0.65 2.49 0.14 0.00 -1.52 0.00 0.00 31.29 33.04 2hiv h VAL 172 CO 1.24 0.52 -0.64 0.61 0.02 0.00 0.00 177.57 179.31 2hiv n GLY 173 N 0.84 -0.37 3.04 2.17 0.00 -1.26 -5.04 105.19 104.56 2hiv n GLY 173 Ca -0.09 0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 2hiv n GLY 173 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2hiv s ILE 174 N -3.30 0.81 0.00 -0.61 -4.36 -1.26 -5.11 121.20 107.36 2hiv s ILE 174 Ca 0.37 -0.43 0.00 0.00 -0.26 0.00 0.00 60.65 60.33 2hiv s ILE 174 Cb -0.16 -0.67 0.00 0.00 1.25 0.00 0.00 42.46 42.87 2hiv s ILE 174 CO 0.66 0.23 0.00 0.61 0.24 0.00 0.00 174.94 176.68 2hiv n GLY 175 N 2.84 3.94 0.26 6.27 0.00 -1.26 -4.80 105.19 112.44 2hiv n GLY 175 Ca -0.14 -2.19 -0.04 0.00 0.00 0.00 0.00 46.02 43.66 2hiv n GLY 175 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2hiv h ASP 176 N 0.00 0.64 -0.92 1.61 5.19 -1.99 -2.22 116.42 118.73 2hiv h ASP 176 Ca 0.00 0.01 0.10 0.00 -0.62 0.00 0.00 57.03 56.52 2hiv h ASP 176 Cb 0.00 -0.13 -0.08 0.00 0.18 0.00 0.00 39.33 39.30 2hiv h ASP 176 CO 0.00 0.44 0.56 0.00 -3.12 0.00 0.00 179.24 177.12 2hiv h ALA 177 N 1.29 1.35 -0.54 3.45 0.00 -1.98 0.24 119.26 123.06 2hiv h ALA 177 Ca 0.27 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 2hiv h ALA 177 Cb 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2hiv h ALA 177 CO -0.12 0.19 0.10 1.15 0.00 0.00 0.00 179.25 180.58 2hiv h THR 178 N 0.92 1.25 -0.20 0.00 2.02 -1.80 -0.69 112.91 114.41 2hiv h THR 178 Ca 0.44 -0.93 -0.13 0.00 0.77 0.00 0.00 66.41 66.56 2hiv h THR 178 Cb 0.39 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2hiv h THR 178 CO -0.25 0.34 -0.40 0.58 0.37 0.00 0.00 175.52 176.16 2hiv h VAL 179 N 0.77 1.32 -0.46 3.16 2.07 -0.92 -1.84 116.25 120.35 2hiv h VAL 179 Ca 0.16 -1.63 0.05 0.00 0.82 0.00 0.00 66.70 66.10 2hiv h VAL 179 Cb 0.38 1.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.96 2hiv h VAL 179 CO 0.01 0.51 0.20 -0.07 0.02 0.00 0.00 177.57 178.24 2hiv h LEU 180 N 0.31 0.26 -0.53 2.57 3.38 -0.40 0.13 115.31 121.05 2hiv h LEU 180 Ca 0.01 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.10 2hiv h LEU 180 Cb 1.00 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.68 2hiv h LEU 180 CO 0.09 0.19 0.16 -0.78 0.09 0.00 0.00 178.44 178.19 2hiv h ASP 181 N 0.40 0.12 0.37 -0.43 3.58 -1.09 -1.02 116.42 118.36 2hiv h ASP 181 Ca 0.20 0.08 -0.09 0.00 0.42 0.00 0.00 57.03 57.65 2hiv h ASP 181 Cb 0.15 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 2hiv h ASP 181 CO -0.17 0.09 -0.40 0.00 -2.88 0.00 0.00 179.24 175.88 2hiv h ALA 182 N 1.38 1.31 -0.51 -0.78 0.00 -0.30 -2.51 119.26 117.85 2hiv h ALA 182 Ca 0.26 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 2hiv h ALA 182 Cb 0.32 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2hiv h ALA 182 CO -0.30 0.51 -0.13 0.52 0.00 0.00 0.00 179.25 179.86 2hiv h MET 183 N 0.03 0.96 -0.64 0.00 2.86 -0.05 0.34 114.93 118.44 2hiv h MET 183 Ca 0.00 -0.36 0.09 0.00 -2.06 0.00 0.00 59.70 57.38 2hiv h MET 183 Cb 0.72 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 32.24 2hiv h MET 183 CO 0.05 1.02 0.26 0.00 1.06 0.00 0.00 176.91 179.31 2hiv h ALA 184 N 0.99 0.84 -0.00 6.32 0.00 -0.87 0.01 119.26 126.54 2hiv h ALA 184 Ca 0.13 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 2hiv h ALA 184 Cb 0.68 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.50 2hiv h ALA 184 CO 0.05 -0.15 -0.45 0.82 0.00 0.00 0.00 179.25 179.51 2hiv h ILE 185 N 0.46 1.48 -0.22 0.00 5.03 -1.00 -0.94 117.51 122.32 2hiv h ILE 185 Ca 0.32 -2.03 -0.14 0.00 -0.12 0.00 0.00 64.86 62.89 2hiv h ILE 185 Cb 0.38 2.68 -0.01 0.00 -3.03 0.00 0.00 36.82 36.84 2hiv h ILE 185 CO -0.30 0.58 -0.43 0.00 -0.68 0.00 0.00 178.15 177.32 2hiv h ALA 186 N 0.29 0.83 0.00 1.87 0.00 -0.24 -3.37 119.26 118.64 2hiv h ALA 186 Ca -0.06 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2hiv h ALA 186 Cb 1.18 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2hiv h ALA 186 CO 0.09 0.65 -0.69 1.19 0.00 0.00 0.00 179.25 180.49 2hiv n PHE 187 N -4.01 0.00 1.34 0.00 0.99 -0.03 -4.74 117.46 111.01 2hiv n PHE 187 Ca -0.02 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.56 2hiv n PHE 187 Cb 0.53 0.00 0.40 0.00 -1.00 0.00 0.00 39.48 39.41 2hiv n PHE 187 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2hiv n GLY 188 N 1.94 0.12 1.82 1.37 0.00 -0.40 -4.82 105.19 105.22 2hiv n GLY 188 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2hiv n GLY 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hiv n GLY 189 N 1.24 1.46 0.00 -0.02 0.00 -1.12 -4.49 105.19 102.26 2hiv n GLY 189 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2hiv n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hiv n GLY 190 N -2.00 0.30 0.32 -0.02 0.00 -0.93 -4.90 105.19 97.96 2hiv n GLY 190 Ca 0.00 -1.71 0.15 0.00 0.00 0.00 0.00 46.02 44.46 2hiv n GLY 190 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2hiv h GLN 191 N 5.47 0.00 -0.09 1.61 5.75 -1.93 -1.52 115.11 124.41 2hiv h GLN 191 Ca 0.00 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.53 2hiv h GLN 191 Cb 0.00 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.55 2hiv h GLN 191 CO 0.00 0.00 0.12 0.66 -2.65 0.00 0.00 178.83 176.96 2hiv h SER 192 N 0.00 0.00 0.49 -0.69 4.64 -1.92 -1.09 113.55 114.99 2hiv h SER 192 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2hiv h SER 192 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2hiv h SER 192 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2hiv n ALA 193 N -2.29 2.12 -0.13 5.18 0.00 -0.57 -4.09 120.51 120.73 2hiv n ALA 193 Ca -0.01 -0.10 -0.08 0.00 0.00 0.00 0.00 53.44 53.25 2hiv n ALA 193 Cb 0.22 -1.36 -0.00 0.00 0.00 0.00 0.00 19.45 18.30 2hiv n ALA 193 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2hiv h SER 194 N 0.00 0.50 -0.32 0.00 0.02 -1.38 -2.42 113.55 109.95 2hiv h SER 194 Ca 0.00 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 2hiv h SER 194 Cb 0.25 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 2hiv h SER 194 CO 0.00 0.44 0.16 -0.08 -1.14 0.00 0.00 176.83 176.21 2hiv h GLU 195 N 0.52 0.46 -0.51 3.45 4.81 -1.80 0.27 114.58 121.78 2hiv h GLU 195 Ca 0.14 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 2hiv h GLU 195 Cb 0.05 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 2hiv h GLU 195 CO -0.02 0.42 0.13 -0.84 -0.73 0.00 0.00 179.01 177.97 2hiv h ILE 196 N 0.39 1.24 -0.32 2.32 -0.00 -1.79 -1.17 117.51 118.18 2hiv h ILE 196 Ca 0.11 -0.83 -0.02 0.00 -0.00 0.00 0.00 64.86 64.12 2hiv h ILE 196 Cb 0.11 0.81 -0.01 0.00 -0.00 0.00 0.00 36.82 37.73 2hiv h ILE 196 CO -0.01 0.30 0.11 0.40 -0.00 0.00 0.00 178.15 178.95 2hiv h ILE 197 N 0.70 1.19 -0.68 0.16 2.04 -1.09 -1.92 117.51 117.93 2hiv h ILE 197 Ca 0.16 -0.62 0.01 0.00 1.00 0.00 0.00 64.86 65.42 2hiv h ILE 197 Cb 0.32 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 2hiv h ILE 197 CO 0.00 0.21 0.44 -0.33 0.00 0.00 0.00 178.15 178.47 2hiv h GLU 198 N 0.36 0.86 -0.59 2.37 5.08 -0.40 -1.71 114.58 120.56 2hiv h GLU 198 Ca 0.10 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2hiv h GLU 198 Cb 0.22 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2hiv h GLU 198 CO -0.01 0.57 0.34 -0.09 -1.00 0.00 0.00 179.01 178.83 2hiv h ARG 199 N 0.89 0.80 -0.09 2.33 2.43 -1.05 0.07 114.38 119.76 2hiv h ARG 199 Ca 0.26 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 2hiv h ARG 199 Cb -0.07 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.32 2hiv h ARG 199 CO -0.07 0.59 0.03 0.00 -1.51 0.00 0.00 179.97 179.01 2hiv h ALA 200 N 1.17 0.11 -0.89 2.80 0.00 -1.16 -2.43 119.26 118.86 2hiv h ALA 200 Ca 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2hiv h ALA 200 Cb 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2hiv h ALA 200 CO -0.04 -0.28 0.57 -0.92 0.00 0.00 0.00 179.25 178.58 2hiv h TYR 201 N -0.04 1.14 -0.30 0.00 3.20 -1.10 0.40 116.97 120.28 2hiv h TYR 201 Ca 0.03 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 2hiv h TYR 201 Cb 0.20 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 2hiv h TYR 201 CO -0.01 0.74 0.15 -0.91 -1.64 0.00 0.00 178.16 176.49 2hiv h ASN 202 N 1.22 0.36 1.45 -2.11 2.35 -0.74 -1.00 115.58 117.11 2hiv h ASN 202 Ca 0.32 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.94 2hiv h ASN 202 Cb -0.11 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 2hiv h ASN 202 CO -0.07 0.31 -0.55 -0.07 -1.65 0.00 0.00 177.43 175.40 2hiv h LEU 203 N 0.41 0.00 -6.08 1.61 3.38 -0.84 0.36 115.31 114.15 2hiv h LEU 203 Ca 0.11 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.73 2hiv h LEU 203 Cb 0.04 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 40.50 2hiv h LEU 203 CO -0.02 0.54 -0.69 -0.60 0.09 0.00 0.00 178.44 177.76 2hiv s ARG 204 N -2.94 0.79 -1.43 1.13 3.52 0.05 -4.21 118.95 115.85 2hiv s ARG 204 Ca 0.04 -1.10 -0.09 0.00 -0.13 0.00 0.00 55.73 54.45 2hiv s ARG 204 Cb 0.08 -0.66 -0.07 0.00 -1.56 0.00 0.00 34.95 32.73 2hiv s ARG 204 CO 0.75 -1.26 2.94 0.00 -0.81 0.00 0.00 175.30 176.92 2hiv n ALA 205 N 3.74 7.37 -3.71 6.12 0.00 -0.14 -4.30 120.51 129.58 2hiv n ALA 205 Ca 0.16 -3.46 -0.30 0.00 0.00 0.00 0.00 53.44 49.85 2hiv n ALA 205 Cb 0.49 -3.19 -0.15 0.00 0.00 0.00 0.00 19.45 16.60 2hiv n ALA 205 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2hiv s ASP 206 N 1.88 3.94 0.27 0.00 3.68 -1.26 -4.80 116.67 120.38 2hiv s ASP 206 Ca 0.67 -1.68 -0.00 0.00 2.13 0.00 0.00 52.55 53.67 2hiv s ASP 206 Cb 0.20 -0.82 0.59 0.00 -1.45 0.00 0.00 42.92 41.43 2hiv s ASP 206 CO -0.06 -0.41 1.73 -0.07 0.13 0.00 0.00 175.17 176.49 2hiv h LEU 207 N 8.01 0.38 -0.56 -1.34 3.38 -1.96 -1.52 115.31 121.69 2hiv h LEU 207 Ca -0.13 0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 2hiv h LEU 207 Cb 1.01 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 2hiv h LEU 207 CO 0.46 0.11 -0.05 1.23 0.09 0.00 0.00 178.44 180.28 2hiv h GLY 208 N 0.49 1.11 0.98 0.83 0.00 -1.92 -0.48 103.07 104.08 2hiv h GLY 208 Ca 0.49 -0.85 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 2hiv h GLY 208 CO -0.44 0.78 0.27 -0.57 0.00 0.00 0.00 176.54 176.58 2hiv h ASN 209 N 0.91 0.71 -0.28 0.19 -0.73 -1.74 -1.36 115.58 113.28 2hiv h ASN 209 Ca 0.15 -0.12 -0.07 0.00 1.87 0.00 0.00 56.30 58.13 2hiv h ASN 209 Cb 0.61 -0.18 -0.01 0.00 0.27 0.00 0.00 38.32 39.00 2hiv h ASN 209 CO 0.04 0.64 -0.10 0.40 -0.37 0.00 0.00 177.43 178.04 2hiv h ILE 210 N 0.74 1.29 0.05 2.57 1.08 -1.10 -2.43 117.51 119.72 2hiv h ILE 210 Ca 0.19 -1.15 -0.00 0.00 -0.39 0.00 0.00 64.86 63.51 2hiv h ILE 210 Cb 0.11 1.45 0.00 0.00 -3.07 0.00 0.00 36.82 35.30 2hiv h ILE 210 CO -0.03 0.37 -0.02 0.00 -0.69 0.00 0.00 178.15 177.78 2hiv h ALA 211 N 0.77 -0.07 -0.71 1.87 0.00 -0.94 -1.67 119.26 118.51 2hiv h ALA 211 Ca 0.07 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 55.08 2hiv h ALA 211 Cb 0.59 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.28 2hiv h ALA 211 CO 0.03 -0.53 -0.30 0.87 0.00 0.00 0.00 179.25 179.33 2hiv h LYS 212 N -0.10 -0.08 0.13 0.00 1.79 -1.28 0.78 116.57 117.81 2hiv h LYS 212 Ca -0.01 0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 2hiv h LYS 212 Cb 0.08 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 2hiv h LYS 212 CO 0.01 -0.06 -0.06 0.82 -1.08 0.00 0.00 179.45 179.08 2hiv h ILE 213 N -0.09 0.92 -0.46 1.86 2.04 -1.01 -0.42 117.51 120.36 2hiv h ILE 213 Ca 0.29 -0.17 0.09 0.00 1.00 0.00 0.00 64.86 66.07 2hiv h ILE 213 Cb 0.56 1.03 -0.08 0.00 -0.74 0.00 0.00 36.82 37.59 2hiv h ILE 213 CO -0.77 0.04 -0.06 0.40 0.00 0.00 0.00 178.15 177.76 2hiv h ILE 214 N -0.25 0.59 -0.25 -0.67 2.04 -0.84 0.30 117.51 118.42 2hiv h ILE 214 Ca -0.02 -0.02 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 2hiv h ILE 214 Cb 0.20 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 2hiv h ILE 214 CO 0.03 0.01 -0.06 0.58 0.00 0.00 0.00 178.15 178.71 2hiv h VAL 215 N 0.05 1.28 0.02 1.67 2.07 -0.75 -0.48 116.25 120.12 2hiv h VAL 215 Ca 0.23 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.64 2hiv h VAL 215 Cb 0.34 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 2hiv h VAL 215 CO -0.43 0.33 -0.14 -0.33 0.02 0.00 0.00 177.57 177.02 2hiv h GLU 216 N 0.22 0.05 -0.01 1.57 5.08 -0.80 -3.39 114.58 117.30 2hiv h GLU 216 Ca 0.06 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2hiv h GLU 216 Cb 0.53 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2hiv h GLU 216 CO 0.03 1.03 -0.19 1.63 -1.00 0.00 0.00 179.01 180.50 2hiv n LYS 217 N -4.53 1.57 0.00 2.33 5.02 0.10 -5.09 118.16 117.56 2hiv n LYS 217 Ca -0.11 -0.94 0.00 0.00 -2.02 0.00 0.00 58.31 55.24 2hiv n LYS 217 Cb 0.53 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 2hiv n LYS 217 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2hiv n GLY 218 N 0.98 -1.53 0.28 0.72 0.00 -0.19 -4.39 105.19 101.05 2hiv n GLY 218 Ca 0.07 -1.56 -0.05 0.00 0.00 0.00 0.00 46.02 44.47 2hiv n GLY 218 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2hiv h ILE 219 N 0.00 1.19 -0.21 -0.61 1.08 -1.85 -3.01 117.51 114.10 2hiv h ILE 219 Ca 0.00 -0.39 0.06 0.00 -0.39 0.00 0.00 64.86 64.14 2hiv h ILE 219 Cb 0.00 0.19 -0.01 0.00 -3.07 0.00 0.00 36.82 33.93 2hiv h ILE 219 CO 0.00 0.19 0.17 -0.33 -0.69 0.00 0.00 178.15 177.50 2hiv h GLU 220 N 0.96 0.00 0.00 2.37 4.39 -1.95 0.84 114.58 121.19 2hiv h GLU 220 Ca 0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.96 2hiv h GLU 220 Cb -0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 2hiv h GLU 220 CO -0.05 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.80 2hiv h ALA 221 N 1.85 1.00 0.00 3.43 0.00 -1.73 -2.51 119.26 121.30 2hiv h ALA 221 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 2hiv h ALA 221 Cb 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2hiv h ALA 221 CO -0.00 0.00 -0.51 -0.07 0.00 0.00 0.00 179.25 178.67 2hiv h LEU 222 N 0.00 0.00 -2.11 0.00 3.38 -0.99 -3.31 115.31 112.29 2hiv h LEU 222 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2hiv h LEU 222 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2hiv h LEU 222 CO 0.00 0.51 -0.08 0.11 0.09 0.00 0.00 178.44 179.07 2hiv h LYS 223 N 0.00 0.00 -0.22 1.13 1.57 -1.58 -1.38 116.57 116.09 2hiv h LYS 223 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2hiv h LYS 223 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2hiv h LYS 223 CO 0.07 0.08 0.00 0.25 -0.57 0.00 0.00 179.45 179.27 2hiv n THR 224 N -3.72 0.36 -1.65 -0.16 -2.24 -1.24 -4.99 114.28 100.63 2hiv n THR 224 Ca -0.02 -0.68 -0.46 0.00 -2.27 0.00 0.00 64.05 60.62 2hiv n THR 224 Cb 0.18 1.07 -0.04 0.00 -2.10 0.00 0.00 70.33 69.45 2hiv n THR 224 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2hiv n LEU 225 N 1.10 2.76 -4.61 3.22 -0.00 -0.52 -5.01 117.00 113.94 2hiv n LEU 225 Ca 0.14 1.12 -0.25 0.00 -0.00 0.00 0.00 56.01 57.02 2hiv n LEU 225 Cb 0.49 -1.38 -0.09 0.00 -0.00 0.00 0.00 43.42 42.45 2hiv n LEU 225 CO 0.12 -0.59 -0.33 -0.54 -0.00 0.00 0.00 177.39 176.06 2hiv s LYS 226 N 0.07 2.02 0.74 1.96 1.02 -1.26 -5.00 119.74 119.29 2hiv s LYS 226 Ca 0.74 -1.76 -0.16 0.00 0.02 0.00 0.00 55.97 54.80 2hiv s LYS 226 Cb -0.71 -1.90 -0.02 0.00 -0.52 0.00 0.00 37.83 34.68 2hiv s LYS 226 CO 0.46 0.16 0.63 -2.30 -0.92 0.00 0.00 175.35 173.39 2hiv n PRO 227 N -0.90 0.30 -4.07 -1.68 -0.02 -1.26 -4.83 135.00 122.53 2hiv n PRO 227 Ca -0.04 0.15 -0.31 0.00 -2.02 0.00 0.00 63.50 61.27 2hiv n PRO 227 Cb 0.62 -1.93 -0.16 0.00 -0.02 0.00 0.00 33.50 32.01 2hiv n PRO 227 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2hiv s GLN 228 N -2.97 2.61 0.07 -0.52 0.74 -1.26 -5.03 119.66 113.30 2hiv s GLN 228 Ca 0.67 -0.71 -0.35 0.00 0.05 0.00 0.00 55.36 55.02 2hiv s GLN 228 Cb -0.34 -2.35 -0.14 0.00 1.10 0.00 0.00 33.01 31.29 2hiv s GLN 228 CO 0.57 -0.24 1.63 0.28 -0.55 0.00 0.00 175.29 176.99 2hiv n VAL 229 N 4.69 0.16 0.00 1.34 0.31 -1.26 -0.94 118.33 122.64 2hiv n VAL 229 Ca -0.19 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 2hiv n VAL 229 Cb 0.50 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 2hiv n VAL 229 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2hiv n GLY 230 N 3.59 2.72 3.29 2.92 0.00 -1.26 -4.98 105.19 111.47 2hiv n GLY 230 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 2hiv n GLY 230 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hiv s ILE 231 N -2.43 3.09 0.55 -0.61 1.01 -0.11 -5.00 121.20 117.68 2hiv s ILE 231 Ca 0.00 -0.60 -0.21 0.00 0.00 0.00 0.00 60.65 59.84 2hiv s ILE 231 Cb 0.00 -2.37 -0.05 0.00 0.01 0.00 0.00 42.46 40.05 2hiv s ILE 231 CO 0.00 0.46 1.26 -2.16 0.00 0.00 0.00 174.94 174.51 2hiv s PRO 232 N 1.22 3.19 0.05 2.79 0.05 -1.26 -4.50 135.00 136.54 2hiv s PRO 232 Ca 0.02 2.00 -0.14 0.00 0.05 0.00 0.00 61.00 62.93 2hiv s PRO 232 Cb -0.14 -2.16 -0.06 0.00 0.05 0.00 0.00 34.50 32.18 2hiv s PRO 232 CO -0.03 -1.08 0.46 0.42 0.05 0.00 0.00 177.00 176.81 2hiv s ILE 233 N -1.45 4.97 0.10 0.56 1.01 -1.26 -0.97 121.20 124.16 2hiv s ILE 233 Ca 0.72 0.81 -0.31 0.00 0.00 0.00 0.00 60.65 61.88 2hiv s ILE 233 Cb -0.35 -3.73 -0.08 0.00 0.01 0.00 0.00 42.46 38.32 2hiv s ILE 233 CO 0.40 0.45 1.44 -0.13 0.00 0.00 0.00 174.94 177.10 2hiv s ARG 234 N -1.42 4.29 0.26 2.79 1.81 0.13 -4.90 118.95 121.91 2hiv s ARG 234 Ca 0.29 2.12 -0.31 0.00 -1.72 0.00 0.00 55.73 56.11 2hiv s ARG 234 Cb -0.16 -3.33 -0.13 0.00 -0.45 0.00 0.00 34.95 30.88 2hiv s ARG 234 CO 0.16 -0.51 1.49 -2.30 -0.68 0.00 0.00 175.30 173.46 2hiv n PRO 235 N 4.38 2.33 -1.96 3.54 -0.02 -1.26 -1.32 135.00 140.69 2hiv n PRO 235 Ca 0.13 0.83 -0.42 0.00 -2.02 0.00 0.00 63.50 62.02 2hiv n PRO 235 Cb 0.42 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.33 2hiv n PRO 235 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 2hiv s MET 236 N -0.47 4.23 0.43 -0.52 1.75 -1.26 -2.11 119.30 121.35 2hiv s MET 236 Ca 0.66 2.35 0.08 0.00 -1.25 0.00 0.00 55.69 57.53 2hiv s MET 236 Cb -0.58 -3.13 -0.01 0.00 2.84 0.00 0.00 34.83 33.96 2hiv s MET 236 CO 0.49 -0.53 0.46 -0.51 -0.65 0.00 0.00 175.02 174.28 2hiv s LEU 237 N 0.43 3.46 -0.01 4.11 1.43 0.39 -4.91 118.68 123.58 2hiv s LEU 237 Ca 0.65 -0.64 0.07 0.00 -1.03 0.00 0.00 54.13 53.18 2hiv s LEU 237 Cb -0.43 -2.24 -0.02 0.00 0.03 0.00 0.00 46.19 43.53 2hiv s LEU 237 CO 0.37 -0.72 -0.24 0.00 0.23 0.00 0.00 176.35 175.99 2hiv s ALA 238 N -2.44 1.96 1.27 4.21 0.00 -1.26 -4.12 121.76 121.38 2hiv s ALA 238 Ca 0.51 -1.03 -0.20 0.00 0.00 0.00 0.00 51.96 51.23 2hiv s ALA 238 Cb -0.06 -0.49 0.30 0.00 0.00 0.00 0.00 23.12 22.88 2hiv s ALA 238 CO 0.30 0.48 1.00 0.39 0.00 0.00 0.00 175.76 177.93 2hiv n GLU 239 N 2.42 -3.30 -3.79 0.00 -0.58 0.43 -4.79 120.64 111.04 2hiv n GLU 239 Ca -0.16 -1.61 -0.13 0.00 -0.42 0.00 0.00 57.16 54.85 2hiv n GLU 239 Cb 0.52 -1.58 -0.12 0.00 -0.57 0.00 0.00 31.44 29.69 2hiv n GLU 239 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 2hiv s ARG 240 N -5.29 0.26 0.06 3.49 3.52 -1.26 -0.35 118.95 119.38 2hiv s ARG 240 Ca 0.66 0.34 -0.09 0.00 -0.13 0.00 0.00 55.73 56.52 2hiv s ARG 240 Cb -0.07 0.09 0.00 0.00 -1.56 0.00 0.00 34.95 33.41 2hiv s ARG 240 CO 0.52 -0.05 0.19 -0.51 -0.81 0.00 0.00 175.30 174.64 2hiv s LEU 241 N 0.28 1.41 0.00 -0.88 1.43 -1.07 -4.92 118.68 114.92 2hiv s LEU 241 Ca -0.01 -0.48 0.13 0.00 -1.03 0.00 0.00 54.13 52.74 2hiv s LEU 241 Cb -0.03 0.97 0.01 0.00 0.03 0.00 0.00 46.19 47.18 2hiv s LEU 241 CO -0.01 -0.62 0.78 -1.54 0.23 0.00 0.00 176.35 175.19 2hiv n SER 242 N 0.40 1.53 -4.37 2.29 3.41 -1.26 -4.41 113.62 111.21 2hiv n SER 242 Ca -0.17 -1.27 -0.40 0.00 -0.26 0.00 0.00 58.87 56.77 2hiv n SER 242 Cb 0.60 0.40 -0.11 0.00 -0.26 0.00 0.00 64.21 64.84 2hiv n SER 242 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2hiv s ASN 243 N -1.57 5.67 0.35 4.04 2.47 -1.26 -4.67 114.94 119.97 2hiv s ASN 243 Ca 0.12 -0.96 0.04 0.00 0.42 0.00 0.00 52.86 52.48 2hiv s ASN 243 Cb 0.11 -2.01 0.69 0.00 -1.45 0.00 0.00 41.25 38.59 2hiv s ASN 243 CO 0.31 -0.36 1.97 -0.65 -3.72 0.00 0.00 177.10 174.65 2hiv h PRO 244 N 8.41 0.79 -0.50 0.43 0.11 -1.97 -1.57 132.00 137.70 2hiv h PRO 244 Ca -0.26 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.69 2hiv h PRO 244 Cb 1.11 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 2hiv h PRO 244 CO 0.66 0.52 -0.15 1.05 -0.21 0.00 0.00 178.00 179.87 2hiv h GLU 245 N 0.81 0.95 -0.60 1.05 9.09 -1.94 -2.05 114.58 121.90 2hiv h GLU 245 Ca 0.30 -0.36 -0.07 0.00 0.05 0.00 0.00 59.36 59.28 2hiv h GLU 245 Cb 0.16 -0.05 -0.03 0.00 -1.65 0.00 0.00 28.75 27.18 2hiv h GLU 245 CO -0.09 1.03 0.11 1.49 0.05 0.00 0.00 179.01 181.60 2hiv h GLU 246 N 0.84 0.96 -0.07 1.06 4.81 -1.76 -2.21 114.58 118.22 2hiv h GLU 246 Ca 0.13 -0.23 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2hiv h GLU 246 Cb 0.70 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 2hiv h GLU 246 CO 0.05 0.88 0.03 0.82 -0.73 0.00 0.00 179.01 180.06 2hiv h ILE 247 N 0.91 1.14 0.00 2.32 2.04 -1.04 -2.41 117.51 120.47 2hiv h ILE 247 Ca 0.19 -0.42 -0.07 0.00 1.00 0.00 0.00 64.86 65.56 2hiv h ILE 247 Cb 0.38 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 2hiv h ILE 247 CO 0.01 0.12 -0.33 0.25 0.00 0.00 0.00 178.15 178.20 2hiv h LEU 248 N -0.05 0.00 -0.51 1.44 5.85 -1.20 -2.30 115.31 118.55 2hiv h LEU 248 Ca 0.02 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 2hiv h LEU 248 Cb 0.17 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2hiv h LEU 248 CO -0.00 0.33 0.10 0.11 -0.34 0.00 0.00 178.44 178.63 2hiv h LYS 249 N 0.00 0.83 -0.47 1.25 1.57 -1.24 0.42 116.57 118.93 2hiv h LYS 249 Ca -0.00 -0.21 0.14 0.00 -1.87 0.00 0.00 60.65 58.70 2hiv h LYS 249 Cb 0.84 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.03 2hiv h LYS 249 CO 0.04 0.81 0.40 0.87 -0.57 0.00 0.00 179.45 181.00 2hiv h LYS 250 N 0.71 0.00 -0.02 3.15 1.79 -0.91 -2.56 116.57 118.73 2hiv h LYS 250 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 2hiv h LYS 250 Cb 0.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 2hiv h LYS 250 CO 0.01 0.00 -0.00 -1.33 -1.08 0.00 0.00 179.45 177.05 2hiv n MET 251 N -4.05 2.09 -1.17 3.15 2.81 -0.66 -4.93 117.12 114.36 2hiv n MET 251 Ca 0.08 -1.58 -0.03 0.00 -1.81 0.00 0.00 57.70 54.36 2hiv n MET 251 Cb 0.60 -1.47 -0.01 0.00 -0.71 0.00 0.00 33.22 31.63 2hiv n MET 251 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2hiv n GLY 252 N 1.29 0.58 1.97 3.03 0.00 -0.96 -3.56 105.19 107.53 2hiv n GLY 252 Ca 0.16 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2hiv n GLY 252 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hiv n GLY 253 N -2.48 0.44 3.23 -0.02 0.00 0.14 -5.00 105.19 101.51 2hiv n GLY 253 Ca -0.03 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 2hiv n GLY 253 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2hiv s ASN 254 N -2.55 -0.40 0.00 1.61 3.04 -1.23 -4.18 114.94 111.23 2hiv s ASN 254 Ca 0.00 0.75 -0.28 0.00 0.04 0.00 0.00 52.86 53.36 2hiv s ASN 254 Cb 0.00 0.71 0.10 0.00 -1.54 0.00 0.00 41.25 40.52 2hiv s ASN 254 CO 0.00 -0.15 0.87 0.00 -3.04 0.00 0.00 177.10 174.78 2hiv s ALA 255 N 0.61 -1.81 -0.11 1.71 0.00 -0.31 -4.47 121.76 117.38 2hiv s ALA 255 Ca -0.03 1.00 -0.15 0.00 0.00 0.00 0.00 51.96 52.77 2hiv s ALA 255 Cb -0.05 0.40 -0.05 0.00 0.00 0.00 0.00 23.12 23.43 2hiv s ALA 255 CO -0.04 -0.68 0.38 0.42 0.00 0.00 0.00 175.76 175.84 2hiv s ILE 256 N -3.07 5.21 -0.22 0.00 1.01 -0.23 -0.05 121.20 123.84 2hiv s ILE 256 Ca 0.04 0.74 0.01 0.00 0.00 0.00 0.00 60.65 61.44 2hiv s ILE 256 Cb -0.01 -3.70 0.03 0.00 0.01 0.00 0.00 42.46 38.79 2hiv s ILE 256 CO -0.09 0.42 -0.13 -0.69 0.00 0.00 0.00 174.94 174.46 2hiv s VAL 257 N 0.09 2.36 -0.01 2.92 1.01 0.12 -0.41 120.40 126.49 2hiv s VAL 257 Ca 0.21 -1.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 2hiv s VAL 257 Cb -0.15 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 2hiv s VAL 257 CO 0.08 0.28 0.17 -1.81 0.00 0.00 0.00 175.10 173.82 2hiv s ASP 258 N 1.25 6.26 0.32 3.32 1.01 0.08 -1.54 116.67 127.38 2hiv s ASP 258 Ca -0.00 0.32 -0.29 0.00 0.71 0.00 0.00 52.55 53.28 2hiv s ASP 258 Cb -0.16 -1.94 -0.12 0.00 1.01 0.00 0.00 42.92 41.70 2hiv s ASP 258 CO -0.08 0.26 1.41 -1.22 0.21 0.00 0.00 175.17 175.75 2hiv n TYR 259 N 0.98 2.51 -3.41 4.23 0.53 0.30 -0.57 117.16 121.73 2hiv n TYR 259 Ca -0.11 0.45 -0.42 0.00 -1.02 0.00 0.00 57.90 56.80 2hiv n TYR 259 Cb 0.53 -2.48 -0.09 0.00 -1.03 0.00 0.00 39.34 36.26 2hiv n TYR 259 CO 0.00 0.00 0.00 0.21 -1.02 0.00 0.00 176.86 176.05 2hiv s LYS 260 N -1.39 3.31 0.30 -0.72 2.47 0.10 -4.66 119.74 119.15 2hiv s LYS 260 Ca 0.59 -0.67 -0.12 0.00 -1.56 0.00 0.00 55.97 54.21 2hiv s LYS 260 Cb -0.55 -3.88 -0.08 0.00 -1.46 0.00 0.00 37.83 31.85 2hiv s LYS 260 CO 0.58 -0.64 0.67 0.71 0.16 0.00 0.00 175.35 176.82 2hiv s TYR 261 N 1.93 3.40 -0.94 4.03 1.51 -1.26 -3.51 117.35 122.51 2hiv s TYR 261 Ca 0.10 1.06 -0.11 0.00 -1.01 0.00 0.00 57.07 57.11 2hiv s TYR 261 Cb -0.17 -2.42 0.24 0.00 -0.11 0.00 0.00 41.96 39.50 2hiv s TYR 261 CO 0.12 0.14 0.89 0.34 -1.11 0.00 0.00 175.55 175.93 2hiv s ASP 262 N -2.41 6.87 0.00 2.29 2.15 -1.26 -4.94 116.67 119.37 2hiv s ASP 262 Ca 0.51 -3.14 0.00 0.00 0.43 0.00 0.00 52.55 50.35 2hiv s ASP 262 Cb -0.11 -2.17 0.00 0.00 -0.30 0.00 0.00 42.92 40.34 2hiv s ASP 262 CO 0.20 -0.42 0.00 0.61 -0.17 0.00 0.00 175.17 175.39 2hiv n GLY 263 N 3.31 4.17 3.67 2.66 0.00 -1.26 -3.56 105.19 114.19 2hiv n GLY 263 Ca 0.18 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 2hiv n GLY 263 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hiv s GLU 264 N 1.76 4.17 -0.40 1.61 2.56 0.62 -4.87 118.70 124.14 2hiv s GLU 264 Ca 0.00 0.13 -0.29 0.00 0.00 0.00 0.00 54.97 54.81 2hiv s GLU 264 Cb 0.00 -3.53 0.02 0.00 2.00 0.00 0.00 34.13 32.62 2hiv s GLU 264 CO 0.00 -0.00 1.23 0.50 -0.56 0.00 0.00 175.26 176.43 2hiv s ARG 265 N 1.20 3.77 -0.20 4.30 3.52 -1.26 -0.30 118.95 129.99 2hiv s ARG 265 Ca 0.17 0.87 -0.04 0.00 -0.13 0.00 0.00 55.73 56.61 2hiv s ARG 265 Cb -0.14 -3.91 -0.02 0.00 -1.56 0.00 0.00 34.95 29.32 2hiv s ARG 265 CO 0.07 -1.31 -0.04 0.00 -0.81 0.00 0.00 175.30 173.22 2hiv s ALA 266 N 4.58 2.88 -0.27 6.12 0.00 0.16 -1.56 121.76 133.67 2hiv s ALA 266 Ca 0.53 -1.04 -0.14 0.00 0.00 0.00 0.00 51.96 51.31 2hiv s ALA 266 Cb -0.11 -1.65 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 2hiv s ALA 266 CO 0.28 -0.18 0.32 -1.14 0.00 0.00 0.00 175.76 175.03 2hiv s GLN 267 N 1.06 4.01 -0.19 0.00 0.74 -0.12 -0.91 119.66 124.26 2hiv s GLN 267 Ca 0.01 -0.06 -0.01 0.00 0.05 0.00 0.00 55.36 55.36 2hiv s GLN 267 Cb -0.15 -3.64 0.01 0.00 1.10 0.00 0.00 33.01 30.33 2hiv s GLN 267 CO 0.00 -0.22 -0.14 0.42 -0.55 0.00 0.00 175.29 174.81 2hiv s ILE 268 N 1.88 2.60 0.04 -2.34 1.01 0.73 -0.60 121.20 124.53 2hiv s ILE 268 Ca 0.13 -0.76 0.07 0.00 0.00 0.00 0.00 60.65 60.08 2hiv s ILE 268 Cb -0.16 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 2hiv s ILE 268 CO 0.10 0.50 -0.17 -1.00 0.00 0.00 0.00 174.94 174.37 2hiv s HIS 269 N 1.24 2.59 -0.05 3.97 3.76 0.14 -0.84 115.29 126.11 2hiv s HIS 269 Ca 0.03 -0.24 -0.00 0.00 -0.15 0.00 0.00 55.06 54.70 2hiv s HIS 269 Cb -0.14 -1.47 0.03 0.00 1.11 0.00 0.00 32.58 32.11 2hiv s HIS 269 CO -0.07 0.28 -0.00 0.21 -0.85 0.00 0.00 174.74 174.30 2hiv s LYS 270 N -1.50 0.52 -0.09 1.40 2.20 -0.40 -0.26 119.74 121.61 2hiv s LYS 270 Ca 0.15 0.07 0.01 0.00 -0.36 0.00 0.00 55.97 55.85 2hiv s LYS 270 Cb -0.11 -0.77 0.02 0.00 -1.51 0.00 0.00 37.83 35.46 2hiv s LYS 270 CO 0.06 -0.21 -0.11 -1.59 -0.36 0.00 0.00 175.35 173.14 2hiv s LYS 271 N 1.48 1.74 0.00 4.03 -2.85 -0.19 -1.71 119.74 122.24 2hiv s LYS 271 Ca -0.03 -0.39 0.00 0.00 -1.00 0.00 0.00 55.97 54.55 2hiv s LYS 271 Cb -0.13 -1.54 0.00 0.00 -2.06 0.00 0.00 37.83 34.10 2hiv s LYS 271 CO -0.03 -0.07 0.00 0.39 0.10 0.00 0.00 175.35 175.74 2hiv n GLU 272 N 4.20 0.00 0.00 1.78 4.71 -1.10 -1.07 120.64 129.17 2hiv n GLU 272 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.96 2hiv n GLU 272 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.94 2hiv n GLU 272 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2hiv n ASP 273 N 0.00 3.40 -4.72 1.62 8.00 -1.26 -4.77 116.55 118.81 2hiv n ASP 273 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 2hiv n ASP 273 Cb 0.00 0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 41.52 2hiv n ASP 273 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2hiv s LYS 274 N -1.57 4.51 -0.11 -1.24 2.20 -0.23 -5.02 119.74 118.27 2hiv s LYS 274 Ca 0.00 1.72 -0.01 0.00 -0.36 0.00 0.00 55.97 57.32 2hiv s LYS 274 Cb 0.00 -3.32 -0.03 0.00 -1.51 0.00 0.00 37.83 32.97 2hiv s LYS 274 CO 0.00 -0.10 -0.06 0.42 -0.36 0.00 0.00 175.35 175.25 2hiv s ILE 275 N 0.49 3.73 0.02 5.43 1.01 -1.26 -1.02 121.20 129.59 2hiv s ILE 275 Ca 0.54 -0.44 0.08 0.00 0.00 0.00 0.00 60.65 60.83 2hiv s ILE 275 Cb -0.29 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.58 2hiv s ILE 275 CO 0.32 0.55 -0.23 -0.36 0.00 0.00 0.00 174.94 175.21 2hiv s PHE 276 N -0.18 2.06 -0.10 3.97 0.40 0.64 -4.98 117.98 119.79 2hiv s PHE 276 Ca 0.03 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 55.98 2hiv s PHE 276 Cb -0.13 -1.27 0.02 0.00 0.51 0.00 0.00 43.02 42.15 2hiv s PHE 276 CO 0.03 0.05 -0.12 0.42 0.70 0.00 0.00 175.22 176.29 2hiv s ILE 277 N -0.69 1.28 -0.03 0.64 1.01 -1.26 -0.68 121.20 121.47 2hiv s ILE 277 Ca 0.09 -0.50 0.03 0.00 0.00 0.00 0.00 60.65 60.27 2hiv s ILE 277 Cb -0.09 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 2hiv s ILE 277 CO 0.01 0.40 -0.10 -0.36 0.00 0.00 0.00 174.94 174.89 2hiv s PHE 278 N 1.15 2.82 0.70 3.97 0.40 0.23 -0.46 117.98 126.79 2hiv s PHE 278 Ca -0.04 -0.07 -0.10 0.00 -0.60 0.00 0.00 56.93 56.12 2hiv s PHE 278 Cb -0.14 -1.63 0.16 0.00 0.51 0.00 0.00 43.02 41.91 2hiv s PHE 278 CO -0.03 0.30 0.95 -1.13 0.70 0.00 0.00 175.22 176.01 2hiv n SER 279 N 1.96 0.28 -0.13 1.36 3.41 0.28 -0.94 113.62 119.85 2hiv n SER 279 Ca -0.17 -1.47 0.18 0.00 -0.26 0.00 0.00 58.87 57.16 2hiv n SER 279 Cb 0.53 -0.71 0.57 0.00 -0.26 0.00 0.00 64.21 64.34 2hiv n SER 279 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2hiv h ARG 280 N 0.00 0.26 -0.12 4.33 2.43 -1.63 0.27 114.38 119.92 2hiv h ARG 280 Ca -0.31 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 2hiv h ARG 280 Cb 0.90 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 2hiv h ARG 280 CO 0.24 0.17 0.00 0.54 -1.51 0.00 0.00 179.97 179.41 2hiv n ARG 281 N -4.44 1.78 -2.45 0.20 1.74 -1.26 -4.91 116.66 107.33 2hiv n ARG 281 Ca 0.14 -1.16 -0.16 0.00 -0.77 0.00 0.00 57.85 55.90 2hiv n ARG 281 Cb 0.61 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.61 2hiv n ARG 281 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2hiv n LEU 282 N 0.39 -1.91 -4.87 0.55 4.77 0.93 -5.00 117.00 111.86 2hiv n LEU 282 Ca 0.17 -0.07 -0.30 0.00 -0.03 0.00 0.00 56.01 55.78 2hiv n LEU 282 Cb 0.37 -2.36 -0.03 0.00 -2.33 0.00 0.00 43.42 39.07 2hiv n LEU 282 CO 0.15 -0.07 0.47 -1.61 -1.33 0.00 0.00 177.39 174.99 2hiv s GLU 283 N -4.96 3.79 -0.42 3.23 0.41 -1.26 -3.42 118.70 116.06 2hiv s GLU 283 Ca 0.06 0.51 -0.27 0.00 -0.41 0.00 0.00 54.97 54.86 2hiv s GLU 283 Cb -0.03 -2.36 0.02 0.00 -1.78 0.00 0.00 34.13 29.98 2hiv s GLU 283 CO 0.08 -0.07 1.00 1.21 -0.49 0.00 0.00 175.26 176.99 2hiv s ASN 284 N -3.19 6.64 -0.11 -0.19 3.84 -1.26 -0.55 114.94 120.12 2hiv s ASN 284 Ca 0.52 0.47 0.14 0.00 0.21 0.00 0.00 52.86 54.20 2hiv s ASN 284 Cb -0.10 -2.49 0.39 0.00 -0.55 0.00 0.00 41.25 38.50 2hiv s ASN 284 CO 0.32 -1.02 1.30 2.30 -2.79 0.00 0.00 177.10 177.21 2hiv n ILE 285 N 6.33 1.80 -0.20 -5.21 -5.35 0.39 -4.73 119.36 112.38 2hiv n ILE 285 Ca 0.09 -1.66 0.01 0.00 -0.27 0.00 0.00 62.75 60.92 2hiv n ILE 285 Cb 0.48 -0.01 0.12 0.00 -1.74 0.00 0.00 39.64 38.49 2hiv n ILE 285 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 2hiv h THR 286 N 1.40 0.68 0.00 7.28 2.02 -1.85 -0.73 112.91 121.71 2hiv h THR 286 Ca 0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.07 2hiv h THR 286 Cb 1.12 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 2hiv h THR 286 CO 0.11 0.06 0.00 0.77 0.37 0.00 0.00 175.52 176.83 2hiv h SER 287 N 0.32 0.00 1.62 4.18 4.64 -1.91 -1.48 113.55 120.91 2hiv h SER 287 Ca 0.32 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.63 2hiv h SER 287 Cb 0.46 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2hiv h SER 287 CO -0.38 0.00 -0.39 1.56 -0.87 0.00 0.00 176.83 176.76 2hiv h GLN 288 N 0.00 0.00 -2.19 4.77 4.20 -1.49 -3.39 115.11 117.01 2hiv h GLN 288 Ca 0.00 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.14 2hiv h GLN 288 Cb 0.32 0.00 -0.41 0.00 0.30 0.00 0.00 27.48 27.69 2hiv h GLN 288 CO 0.00 0.06 -0.77 0.66 -0.67 0.00 0.00 178.83 178.11 2hiv n TYR 289 N -2.98 2.87 0.26 2.96 4.02 -0.56 -4.84 117.16 118.88 2hiv n TYR 289 Ca 0.02 -3.97 0.13 0.00 -0.01 0.00 0.00 57.90 54.07 2hiv n TYR 289 Cb 0.57 -0.48 0.68 0.00 -0.02 0.00 0.00 39.34 40.09 2hiv n TYR 289 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2hiv h PRO 290 N 3.35 0.00 -0.43 -0.72 0.13 -1.78 0.17 132.00 132.73 2hiv h PRO 290 Ca 0.14 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.22 2hiv h PRO 290 Cb 0.66 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.77 2hiv h PRO 290 CO 0.73 0.14 0.10 0.38 -0.23 0.00 0.00 178.00 179.11 2hiv h ASP 291 N 0.00 0.65 -0.31 1.44 -0.00 -1.92 -0.27 116.42 116.01 2hiv h ASP 291 Ca -0.00 -0.24 -0.03 0.00 -0.00 0.00 0.00 57.03 56.76 2hiv h ASP 291 Cb 0.42 -0.17 -0.01 0.00 -0.00 0.00 0.00 39.33 39.56 2hiv h ASP 291 CO 0.02 0.72 0.08 0.58 -0.00 0.00 0.00 179.24 180.64 2hiv h VAL 292 N 0.55 1.22 -0.52 4.15 2.07 -1.72 -0.89 116.25 121.11 2hiv h VAL 292 Ca 0.13 -0.72 0.10 0.00 0.82 0.00 0.00 66.70 67.04 2hiv h VAL 292 Cb 0.33 1.11 -0.09 0.00 -1.52 0.00 0.00 31.29 31.11 2hiv h VAL 292 CO 0.00 0.24 -0.09 0.58 0.02 0.00 0.00 177.57 178.33 2hiv h VAL 293 N 0.33 0.52 -0.68 2.57 2.07 -0.88 -0.31 116.25 119.87 2hiv h VAL 293 Ca 0.10 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.64 2hiv h VAL 293 Cb 0.29 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.49 2hiv h VAL 293 CO 0.00 0.01 0.42 0.44 0.02 0.00 0.00 177.57 178.46 2hiv h ASP 294 N 0.04 0.68 -0.70 0.57 3.32 -0.76 -1.25 116.42 118.31 2hiv h ASP 294 Ca 0.25 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 2hiv h ASP 294 Cb 0.39 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 2hiv h ASP 294 CO -0.50 0.47 0.29 1.88 -1.72 0.00 0.00 179.24 179.66 2hiv h TYR 295 N 0.82 1.06 -0.12 4.55 0.99 -0.37 -1.15 116.97 122.76 2hiv h TYR 295 Ca 0.28 -0.07 -0.01 0.00 2.00 0.00 0.00 58.73 60.92 2hiv h TYR 295 Cb 0.03 -0.32 -0.00 0.00 1.00 0.00 0.00 36.73 37.44 2hiv h TYR 295 CO -0.05 0.81 0.02 0.28 -0.00 0.00 0.00 178.16 179.23 2hiv h VAL 296 N 1.00 1.21 -0.10 -2.88 2.07 -0.71 0.15 116.25 116.99 2hiv h VAL 296 Ca 0.24 -0.66 -0.11 0.00 0.82 0.00 0.00 66.70 66.98 2hiv h VAL 296 Cb 0.19 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 2hiv h VAL 296 CO -0.02 0.19 -0.43 0.77 0.02 0.00 0.00 177.57 178.10 2hiv h SER 297 N -0.03 0.25 0.03 0.57 4.64 -1.15 -1.99 113.55 115.87 2hiv h SER 297 Ca 0.04 -0.11 -0.17 0.00 -0.47 0.00 0.00 61.79 61.08 2hiv h SER 297 Cb 0.28 -0.07 0.02 0.00 -0.31 0.00 0.00 62.40 62.32 2hiv h SER 297 CO 0.00 0.66 -0.69 0.50 -0.87 0.00 0.00 176.83 176.43 2hiv h LYS 298 N 0.20 0.41 -0.01 4.77 3.64 -1.10 -3.40 116.57 121.07 2hiv h LYS 298 Ca 0.02 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2hiv h LYS 298 Cb 0.85 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 2hiv h LYS 298 CO 0.07 1.15 -0.03 0.66 -2.27 0.00 0.00 179.45 179.03 2hiv n TYR 299 N -4.17 0.00 -4.02 1.91 4.02 0.52 -4.90 117.16 110.53 2hiv n TYR 299 Ca -0.11 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.44 2hiv n TYR 299 Cb 0.72 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.89 2hiv n TYR 299 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2hiv s ILE 300 N -0.95 2.62 0.13 -0.72 1.01 -0.75 -0.53 121.20 122.02 2hiv s ILE 300 Ca 0.12 -0.91 -0.30 0.00 0.00 0.00 0.00 60.65 59.56 2hiv s ILE 300 Cb 0.09 -2.23 -0.06 0.00 0.01 0.00 0.00 42.46 40.26 2hiv s ILE 300 CO 0.15 0.37 1.03 -0.70 0.00 0.00 0.00 174.94 175.79 2hiv s GLU 301 N 1.33 4.64 0.00 2.79 2.12 0.12 -4.81 118.70 124.89 2hiv s GLU 301 Ca 0.03 1.58 0.00 0.00 0.36 0.00 0.00 54.97 56.94 2hiv s GLU 301 Cb -0.15 -3.33 0.00 0.00 0.26 0.00 0.00 34.13 30.91 2hiv s GLU 301 CO -0.08 0.13 0.00 0.41 -0.54 0.00 0.00 175.26 175.18 2hiv n GLY 302 N 2.23 4.92 0.17 -1.50 0.00 -1.26 -4.85 105.19 104.90 2hiv n GLY 302 Ca 0.03 -1.02 -0.19 0.00 0.00 0.00 0.00 46.02 44.84 2hiv n GLY 302 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2hiv h LYS 303 N 0.00 0.56 -2.13 1.61 3.64 -1.93 -3.47 116.57 114.85 2hiv h LYS 303 Ca 0.00 -0.60 -0.05 0.00 -1.27 0.00 0.00 60.65 58.73 2hiv h LYS 303 Cb 0.00 0.17 -0.18 0.00 -0.41 0.00 0.00 32.23 31.81 2hiv h LYS 303 CO 0.00 1.22 0.19 -1.83 -2.27 0.00 0.00 179.45 176.76 2hiv s GLU 304 N -3.26 1.09 -0.18 1.90 -1.05 -1.26 -2.69 118.70 113.25 2hiv s GLU 304 Ca -0.12 0.16 -0.35 0.00 -0.15 0.00 0.00 54.97 54.51 2hiv s GLU 304 Cb 0.05 0.51 0.15 0.00 -0.44 0.00 0.00 34.13 34.40 2hiv s GLU 304 CO 0.87 -0.36 1.39 -0.59 0.95 0.00 0.00 175.26 177.53 2hiv s PHE 305 N -1.53 -0.01 -0.08 4.83 -0.12 -0.69 0.23 117.98 120.60 2hiv s PHE 305 Ca -0.09 0.00 -0.00 0.00 -0.05 0.00 0.00 56.93 56.78 2hiv s PHE 305 Cb -0.00 0.51 0.02 0.00 -0.63 0.00 0.00 43.02 42.92 2hiv s PHE 305 CO 0.07 -0.04 -0.04 0.42 -0.05 0.00 0.00 175.22 175.57 2hiv s ILE 306 N -2.08 0.70 0.35 -4.49 1.01 -0.01 -1.27 121.20 115.41 2hiv s ILE 306 Ca 0.13 -0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.71 2hiv s ILE 306 Cb 0.03 -0.77 -0.03 0.00 0.01 0.00 0.00 42.46 41.70 2hiv s ILE 306 CO -0.04 0.30 0.15 0.27 0.00 0.00 0.00 174.94 175.62 2hiv s ILE 307 N 1.63 0.49 -0.01 2.92 -4.36 -0.02 -0.50 121.20 121.35 2hiv s ILE 307 Ca 0.01 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.38 2hiv s ILE 307 Cb -0.13 -2.47 0.00 0.00 1.25 0.00 0.00 42.46 41.11 2hiv s ILE 307 CO -0.05 0.00 0.04 -0.70 0.24 0.00 0.00 174.94 174.47 2hiv s GLU 308 N -3.75 0.12 0.22 0.37 2.12 -0.22 -0.19 118.70 117.36 2hiv s GLU 308 Ca 0.32 -0.07 -0.21 0.00 0.36 0.00 0.00 54.97 55.36 2hiv s GLU 308 Cb 0.04 0.05 0.04 0.00 0.26 0.00 0.00 34.13 34.53 2hiv s GLU 308 CO 0.17 -0.02 0.64 0.20 -0.54 0.00 0.00 175.26 175.71 2hiv s GLY 309 N -0.29 -0.33 -0.20 -1.50 0.00 -0.09 -0.60 107.32 104.31 2hiv s GLY 309 Ca -0.03 0.06 -0.15 0.00 0.00 0.00 0.00 44.72 44.60 2hiv s GLY 309 CO 0.00 0.00 0.35 1.85 0.00 0.00 0.00 173.10 175.30 2hiv s GLU 310 N -3.84 4.17 -0.28 2.90 2.56 0.17 0.35 118.70 124.74 2hiv s GLU 310 Ca 0.06 0.12 -0.26 0.00 0.00 0.00 0.00 54.97 54.90 2hiv s GLU 310 Cb -0.03 -3.53 0.00 0.00 2.00 0.00 0.00 34.13 32.57 2hiv s GLU 310 CO -0.03 0.00 0.89 0.42 -0.56 0.00 0.00 175.26 175.98 2hiv s ILE 311 N 1.20 4.74 -0.10 -3.70 1.01 0.59 -0.33 121.20 124.61 2hiv s ILE 311 Ca 0.17 1.52 0.03 0.00 0.00 0.00 0.00 60.65 62.37 2hiv s ILE 311 Cb -0.14 -4.21 0.01 0.00 0.01 0.00 0.00 42.46 38.13 2hiv s ILE 311 CO 0.07 -0.23 -0.18 -0.69 0.00 0.00 0.00 174.94 173.91 2hiv s VAL 312 N 3.08 1.66 0.42 2.92 1.01 -0.26 -0.28 120.40 128.96 2hiv s VAL 312 Ca 0.37 -0.77 -0.25 0.00 0.00 0.00 0.00 61.98 61.32 2hiv s VAL 312 Cb -0.14 -1.48 -0.08 0.00 0.00 0.00 0.00 36.38 34.68 2hiv s VAL 312 CO 0.10 0.47 1.31 0.00 0.00 0.00 0.00 175.10 176.99 2hiv s ALA 313 N 0.64 3.21 0.02 5.51 0.00 -1.26 -0.99 121.76 128.89 2hiv s ALA 313 Ca -0.14 1.25 0.02 0.00 0.00 0.00 0.00 51.96 53.10 2hiv s ALA 313 Cb -0.16 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.44 2hiv s ALA 313 CO 0.04 -0.90 -0.08 -1.50 0.00 0.00 0.00 175.76 173.33 2hiv s ILE 314 N -1.27 0.57 -0.18 0.00 1.10 -0.52 -0.62 121.20 120.28 2hiv s ILE 314 Ca 0.59 -0.62 -0.29 0.00 -0.51 0.00 0.00 60.65 59.82 2hiv s ILE 314 Cb -0.38 -0.54 -0.01 0.00 0.15 0.00 0.00 42.46 41.68 2hiv s ILE 314 CO 0.49 -0.05 1.20 -0.62 -2.11 0.00 0.00 174.94 173.85 2hiv s ASP 315 N -0.73 6.99 0.51 4.50 2.15 0.12 -4.09 116.67 126.12 2hiv s ASP 315 Ca -0.02 1.62 0.26 0.00 0.43 0.00 0.00 52.55 54.84 2hiv s ASP 315 Cb -0.05 -2.54 1.37 0.00 -0.30 0.00 0.00 42.92 41.39 2hiv s ASP 315 CO 0.00 -0.73 1.94 -0.65 -0.17 0.00 0.00 175.17 175.56 2hiv h PRO 316 N 7.98 0.07 0.05 4.34 0.11 -1.90 1.72 132.00 144.38 2hiv h PRO 316 Ca -0.25 -0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.48 2hiv h PRO 316 Cb 1.09 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.14 2hiv h PRO 316 CO 0.97 0.05 -2.27 -1.91 -0.21 0.00 0.00 178.00 174.63 2hiv n GLU 317 N -4.36 0.69 -0.00 1.05 0.00 -1.26 -4.60 120.64 112.16 2hiv n GLU 317 Ca 0.14 0.20 0.06 0.00 0.00 0.00 0.00 57.16 57.57 2hiv n GLU 317 Cb 0.73 -1.60 -0.08 0.00 0.00 0.00 0.00 31.44 30.50 2hiv n GLU 317 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2hiv n SER 318 N -3.39 0.70 0.00 4.31 3.41 -1.15 -4.97 113.62 112.53 2hiv n SER 318 Ca -0.40 -0.76 0.00 0.00 -0.26 0.00 0.00 58.87 57.44 2hiv n SER 318 Cb 1.01 1.04 0.00 0.00 -0.26 0.00 0.00 64.21 65.99 2hiv n SER 318 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hiv n GLY 319 N 1.34 1.36 3.70 5.00 0.00 0.58 -4.91 105.19 112.26 2hiv n GLY 319 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 2hiv n GLY 319 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2hiv s GLU 320 N -0.10 1.67 0.34 1.61 -1.05 -1.26 -3.80 118.70 116.11 2hiv s GLU 320 Ca 0.00 1.75 -0.27 0.00 -0.15 0.00 0.00 54.97 56.30 2hiv s GLU 320 Cb 0.00 -1.78 -0.09 0.00 -0.44 0.00 0.00 34.13 31.82 2hiv s GLU 320 CO 0.00 -2.19 1.15 -1.64 0.95 0.00 0.00 175.26 173.54 2hiv s MET 321 N -4.14 4.35 0.16 -4.83 -1.94 -1.26 0.12 119.30 111.77 2hiv s MET 321 Ca 0.73 1.86 0.08 0.00 -1.71 0.00 0.00 55.69 56.65 2hiv s MET 321 Cb -0.28 -2.93 -0.04 0.00 2.01 0.00 0.00 34.83 33.58 2hiv s MET 321 CO 0.50 -0.07 -0.09 1.03 -0.01 0.00 0.00 175.02 176.38 2hiv s ARG 322 N -1.90 2.09 0.83 2.03 0.52 0.21 -4.84 118.95 117.89 2hiv s ARG 322 Ca 0.51 -1.21 -0.11 0.00 -0.52 0.00 0.00 55.73 54.40 2hiv s ARG 322 Cb -0.32 -2.20 0.09 0.00 0.52 0.00 0.00 34.95 33.04 2hiv s ARG 322 CO 0.41 0.45 1.10 -1.25 0.02 0.00 0.00 175.30 176.03 2hiv s PRO 323 N -2.71 1.80 0.43 3.54 0.04 -1.26 -4.36 135.00 132.48 2hiv s PRO 323 Ca 0.24 1.22 0.16 0.00 0.04 0.00 0.00 61.00 62.66 2hiv s PRO 323 Cb -0.09 -1.84 1.07 0.00 0.04 0.00 0.00 34.50 33.67 2hiv s PRO 323 CO 0.15 -1.98 1.94 0.35 0.04 0.00 0.00 177.00 177.50 2hiv h PHE 324 N -1.38 0.45 -0.17 0.56 3.57 -1.94 -0.52 116.94 117.51 2hiv h PHE 324 Ca -0.44 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.12 2hiv h PHE 324 Cb 1.25 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.84 2hiv h PHE 324 CO 0.54 0.18 0.25 1.96 -2.23 0.00 0.00 178.31 179.01 2hiv h GLN 325 N 0.39 0.00 0.00 1.11 1.08 -1.92 0.79 115.11 116.56 2hiv h GLN 325 Ca 0.34 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.44 2hiv h GLN 325 Cb 0.79 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.20 2hiv h GLN 325 CO -0.10 0.00 -0.50 0.93 -0.95 0.00 0.00 178.83 178.21 2hiv h GLU 326 N 0.00 0.00 -0.04 1.46 4.39 -1.43 -1.25 114.58 117.71 2hiv h GLU 326 Ca 0.08 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.68 2hiv h GLU 326 Cb 0.57 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 2hiv h GLU 326 CO -0.00 0.50 -0.46 -0.07 -1.16 0.00 0.00 179.01 177.82 2hiv h LEU 327 N 0.00 0.11 -0.68 1.33 3.38 -0.98 -0.86 115.31 117.61 2hiv h LEU 327 Ca -0.01 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 2hiv h LEU 327 Cb 0.99 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 2hiv h LEU 327 CO 0.07 0.55 -0.62 0.24 0.09 0.00 0.00 178.44 178.77 2hiv h MET 328 N 0.08 0.16 -0.34 1.13 2.86 -1.25 -2.15 114.93 115.42 2hiv h MET 328 Ca 0.00 -0.11 -0.10 0.00 -2.06 0.00 0.00 59.70 57.43 2hiv h MET 328 Cb 0.85 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 2hiv h MET 328 CO 0.06 0.72 -0.18 0.45 1.06 0.00 0.00 176.91 179.03 2hiv h HIS 329 N 0.12 0.83 -0.32 -0.22 3.86 -0.85 -3.09 115.15 115.49 2hiv h HIS 329 Ca -0.01 -0.21 0.07 0.00 -1.16 0.00 0.00 60.37 59.06 2hiv h HIS 329 Cb 1.11 -0.19 -0.06 0.00 1.06 0.00 0.00 27.41 29.33 2hiv h HIS 329 CO 0.01 0.93 -0.10 -0.09 0.86 0.00 0.00 177.93 179.55 2hiv h ARG 330 N 0.49 -0.02 -0.82 2.45 2.43 -1.06 -1.76 114.38 116.09 2hiv h ARG 330 Ca 0.07 0.00 0.24 0.00 -0.81 0.00 0.00 59.98 59.48 2hiv h ARG 330 Cb 0.72 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 2hiv h ARG 330 CO 0.05 -0.02 0.59 -0.22 -1.51 0.00 0.00 179.97 178.86 2hiv h LYS 331 N -0.03 0.00 0.00 0.20 3.64 -1.33 -1.41 116.57 117.65 2hiv h LYS 331 Ca 0.16 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2hiv h LYS 331 Cb 0.26 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2hiv h LYS 331 CO -0.34 0.00 -0.34 0.54 -2.27 0.00 0.00 179.45 177.04 2hiv n ARG 332 N -4.29 0.13 -2.07 1.90 1.74 -0.67 -4.85 116.66 108.55 2hiv n ARG 332 Ca 0.17 0.06 -0.41 0.00 -0.77 0.00 0.00 57.85 56.90 2hiv n ARG 332 Cb 0.89 -1.60 -0.02 0.00 -1.02 0.00 0.00 32.46 30.70 2hiv n ARG 332 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2hiv s LYS 333 N -3.07 4.31 0.05 5.56 -0.14 -0.53 -4.95 119.74 120.98 2hiv s LYS 333 Ca 0.10 2.24 -0.15 0.00 -1.36 0.00 0.00 55.97 56.80 2hiv s LYS 333 Cb 0.16 -3.10 -0.25 0.00 -1.68 0.00 0.00 37.83 32.96 2hiv s LYS 333 CO 0.65 -0.30 1.15 0.66 -0.76 0.00 0.00 175.35 176.75 2hiv h SER 334 N 4.27 0.83 -3.57 2.83 4.64 -1.88 -3.42 113.55 117.24 2hiv h SER 334 Ca -0.47 -0.76 -0.67 0.00 -0.47 0.00 0.00 61.79 59.42 2hiv h SER 334 Cb 1.22 -0.26 -0.16 0.00 -0.31 0.00 0.00 62.40 62.89 2hiv h SER 334 CO 0.72 1.49 -0.01 -0.62 -0.87 0.00 0.00 176.83 177.53 2hiv s ASP 335 N -7.21 6.28 0.37 4.97 3.68 -1.26 -4.95 116.67 118.54 2hiv s ASP 335 Ca -0.10 -0.43 0.12 0.00 2.13 0.00 0.00 52.55 54.26 2hiv s ASP 335 Cb 0.06 -2.28 0.91 0.00 -1.45 0.00 0.00 42.92 40.16 2hiv s ASP 335 CO 0.90 -0.68 1.86 -0.29 0.13 0.00 0.00 175.17 177.10 2hiv h ILE 336 N 5.80 0.77 -0.17 4.11 6.09 -1.97 0.43 117.51 132.56 2hiv h ILE 336 Ca -0.26 -0.20 -0.17 0.00 -1.37 0.00 0.00 64.86 62.86 2hiv h ILE 336 Cb 1.10 0.13 0.01 0.00 0.47 0.00 0.00 36.82 38.53 2hiv h ILE 336 CO 0.84 0.11 -0.55 1.88 -3.07 0.00 0.00 178.15 177.36 2hiv h TYR 337 N 0.59 0.88 -0.50 2.19 -1.99 -1.98 -0.47 116.97 115.68 2hiv h TYR 337 Ca 0.46 -0.36 0.04 0.00 2.00 0.00 0.00 58.73 60.88 2hiv h TYR 337 Cb 0.89 -0.15 -0.04 0.00 2.00 0.00 0.00 36.73 39.43 2hiv h TYR 337 CO -0.00 1.15 0.25 0.93 -0.00 0.00 0.00 178.16 180.49 2hiv h GLU 338 N 0.36 0.48 -0.24 4.88 5.08 -1.78 -0.82 114.58 122.54 2hiv h GLU 338 Ca -0.02 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2hiv h GLU 338 Cb 1.17 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 2hiv h GLU 338 CO 0.12 0.32 0.12 0.00 -1.00 0.00 0.00 179.01 178.56 2hiv h ALA 339 N 1.27 0.29 -0.68 3.43 0.00 0.03 -0.50 119.26 123.09 2hiv h ALA 339 Ca 0.22 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 2hiv h ALA 339 Cb 0.13 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2hiv h ALA 339 CO -0.16 -0.29 0.12 0.82 0.00 0.00 0.00 179.25 179.75 2hiv h ILE 340 N 0.25 1.26 -0.28 0.00 2.04 -0.98 0.30 117.51 120.10 2hiv h ILE 340 Ca 0.10 -1.04 -0.08 0.00 1.00 0.00 0.00 64.86 64.84 2hiv h ILE 340 Cb 0.03 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 2hiv h ILE 340 CO -0.07 0.39 -0.13 0.07 0.00 0.00 0.00 178.15 178.41 2hiv h LYS 341 N 1.05 0.59 -0.10 2.37 2.10 -0.82 -2.13 116.57 119.63 2hiv h LYS 341 Ca 0.21 -0.26 -0.17 0.00 -2.00 0.00 0.00 60.65 58.43 2hiv h LYS 341 Cb 0.43 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.74 2hiv h LYS 341 CO 0.01 0.83 -0.67 1.49 -2.00 0.00 0.00 179.45 179.11 2hiv h GLU 342 N 0.34 0.41 -2.14 0.07 4.81 -1.06 -3.38 114.58 113.63 2hiv h GLU 342 Ca 0.06 -0.31 -0.57 0.00 -0.13 0.00 0.00 59.36 58.41 2hiv h GLU 342 Cb 0.65 0.06 -0.41 0.00 0.63 0.00 0.00 28.75 29.67 2hiv h GLU 342 CO 0.04 0.93 -0.80 0.66 -0.73 0.00 0.00 179.01 179.11 2hiv n TYR 343 N -3.87 2.30 -0.60 0.92 4.02 0.11 -4.80 117.16 115.23 2hiv n TYR 343 Ca -0.04 -3.94 -0.29 0.00 -0.01 0.00 0.00 57.90 53.63 2hiv n TYR 343 Cb 0.67 -0.48 0.23 0.00 -0.02 0.00 0.00 39.34 39.74 2hiv n TYR 343 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2hiv s PRO 344 N -2.32 -0.52 0.04 -0.72 0.04 -0.81 -4.60 135.00 126.11 2hiv s PRO 344 Ca 0.40 0.96 -0.00 0.00 0.04 0.00 0.00 61.00 62.40 2hiv s PRO 344 Cb 0.20 -1.59 -0.03 0.00 0.04 0.00 0.00 34.50 33.12 2hiv s PRO 344 CO -0.07 -3.49 -0.03 0.54 0.04 0.00 0.00 177.00 173.99 2hiv s VAL 345 N -2.52 0.21 0.35 -0.36 0.11 -1.26 -1.44 120.40 115.49 2hiv s VAL 345 Ca 0.68 -1.34 0.09 0.00 -2.93 0.00 0.00 61.98 58.48 2hiv s VAL 345 Cb -0.24 -0.86 -0.07 0.00 -1.53 0.00 0.00 36.38 33.68 2hiv s VAL 345 CO 0.63 -0.72 -0.07 0.20 -3.33 0.00 0.00 175.10 171.82 2hiv s ASN 346 N -2.14 3.68 -0.13 3.54 -0.87 -0.16 -4.89 114.94 113.98 2hiv s ASN 346 Ca -0.05 -1.24 0.01 0.00 -1.57 0.00 0.00 52.86 50.02 2hiv s ASN 346 Cb -0.02 -0.34 0.02 0.00 -0.02 0.00 0.00 41.25 40.88 2hiv s ASN 346 CO -0.05 -0.27 -0.17 -0.69 -2.57 0.00 0.00 177.10 173.36 2hiv s VAL 347 N -2.67 1.66 -0.46 1.60 1.01 0.83 -1.11 120.40 121.27 2hiv s VAL 347 Ca 0.33 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 2hiv s VAL 347 Cb 0.04 -1.52 0.12 0.00 0.00 0.00 0.00 36.38 35.03 2hiv s VAL 347 CO 0.17 0.47 0.30 -0.36 0.00 0.00 0.00 175.10 175.68 2hiv s PHE 348 N 1.09 3.49 0.29 5.22 0.40 0.55 -0.74 117.98 128.28 2hiv s PHE 348 Ca -0.03 -2.13 -0.27 0.00 -0.60 0.00 0.00 56.93 53.90 2hiv s PHE 348 Cb -0.14 -3.39 -0.10 0.00 0.51 0.00 0.00 43.02 39.90 2hiv s PHE 348 CO -0.04 -0.98 0.92 -0.51 0.70 0.00 0.00 175.22 175.31 2hiv s LEU 349 N 1.19 4.42 0.00 -0.37 1.43 0.93 0.45 118.68 126.72 2hiv s LEU 349 Ca 0.07 1.83 0.00 0.00 -1.03 0.00 0.00 54.13 55.00 2hiv s LEU 349 Cb -0.24 -3.87 0.00 0.00 0.03 0.00 0.00 46.19 42.11 2hiv s LEU 349 CO -0.02 0.00 0.00 2.22 0.23 0.00 0.00 176.35 178.78 2hiv n PHE 350 N 0.82 0.00 -3.81 0.29 1.16 0.24 -0.45 117.46 115.70 2hiv n PHE 350 Ca 0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.49 2hiv n PHE 350 Cb 0.49 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.31 2hiv n PHE 350 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2hiv s ASP 351 N 0.00 -0.07 -0.04 5.98 -1.08 -0.99 -4.95 116.67 115.52 2hiv s ASP 351 Ca 0.00 -0.60 -0.01 0.00 -0.52 0.00 0.00 52.55 51.42 2hiv s ASP 351 Cb 0.00 0.45 0.03 0.00 -1.46 0.00 0.00 42.92 41.95 2hiv s ASP 351 CO 0.00 -0.88 0.08 -0.22 0.52 0.00 0.00 175.17 174.67 2hiv s LEU 352 N -2.88 0.92 -0.00 -1.34 1.98 -1.26 -1.06 118.68 115.04 2hiv s LEU 352 Ca 0.09 0.15 0.02 0.00 -2.89 0.00 0.00 54.13 51.50 2hiv s LEU 352 Cb 0.02 0.11 -0.02 0.00 0.66 0.00 0.00 46.19 46.97 2hiv s LEU 352 CO -0.06 -0.14 0.04 0.23 -1.89 0.00 0.00 176.35 174.53 2hiv n MET 353 N 4.20 1.99 -3.68 1.98 2.81 0.34 -4.75 117.12 120.02 2hiv n MET 353 Ca -0.27 -0.01 -0.14 0.00 -1.81 0.00 0.00 57.70 55.47 2hiv n MET 353 Cb 0.51 -0.90 -0.08 0.00 -0.71 0.00 0.00 33.22 32.04 2hiv n MET 353 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 2hiv s TYR 354 N -1.81 -0.58 -0.19 2.03 5.04 -1.03 0.16 117.35 120.96 2hiv s TYR 354 Ca -0.00 1.37 -0.07 0.00 -2.44 0.00 0.00 57.07 55.93 2hiv s TYR 354 Cb 0.01 0.22 0.09 0.00 0.35 0.00 0.00 41.96 42.62 2hiv s TYR 354 CO 0.06 -0.32 0.42 -0.47 -1.34 0.00 0.00 175.55 173.89 2hiv s TYR 355 N 0.06 -0.78 -1.04 4.97 5.04 -0.16 -0.83 117.35 124.62 2hiv s TYR 355 Ca -0.02 1.50 -0.18 0.00 -2.44 0.00 0.00 57.07 55.93 2hiv s TYR 355 Cb -0.04 0.30 0.02 0.00 0.35 0.00 0.00 41.96 42.59 2hiv s TYR 355 CO 0.02 -0.47 0.68 0.39 -1.34 0.00 0.00 175.55 174.83 2hiv n GLU 356 N 5.30 -0.93 -0.94 4.97 1.02 0.14 -1.17 120.64 129.02 2hiv n GLU 356 Ca -0.10 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 2hiv n GLU 356 Cb 0.50 -2.93 0.00 0.00 -0.02 0.00 0.00 31.44 28.99 2hiv n GLU 356 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2hiv n ASP 357 N -2.39 -2.03 -4.24 1.62 8.00 -1.26 -4.99 116.55 111.26 2hiv n ASP 357 Ca -0.17 0.00 -0.33 0.00 0.71 0.00 0.00 54.79 55.00 2hiv n ASP 357 Cb 0.61 -0.97 -0.16 0.00 -0.02 0.00 0.00 41.12 40.58 2hiv n ASP 357 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2hiv s VAL 358 N -2.44 2.47 -0.17 2.53 1.01 -0.32 -5.08 120.40 118.40 2hiv s VAL 358 Ca 0.00 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 2hiv s VAL 358 Cb 0.00 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 2hiv s VAL 358 CO 0.00 0.53 1.39 -0.62 0.00 0.00 0.00 175.10 176.39 2hiv s ASP 359 N 0.75 6.79 0.00 3.32 2.15 -1.26 -0.99 116.67 127.42 2hiv s ASP 359 Ca -0.07 1.72 0.25 0.00 0.43 0.00 0.00 52.55 54.88 2hiv s ASP 359 Cb -0.16 -2.54 0.42 0.00 -0.30 0.00 0.00 42.92 40.35 2hiv s ASP 359 CO 0.00 -0.90 1.38 -1.22 -0.17 0.00 0.00 175.17 174.27 2hiv n TYR 360 N 7.07 0.00 0.26 -5.34 4.02 0.12 -4.48 117.16 118.81 2hiv n TYR 360 Ca 0.15 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.16 2hiv n TYR 360 Cb 0.45 -0.01 0.68 0.00 -0.02 0.00 0.00 39.34 40.44 2hiv n TYR 360 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 2hiv h THR 361 N 3.39 0.62 -0.01 -0.72 1.35 -1.80 -0.94 112.91 114.81 2hiv h THR 361 Ca 0.00 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 2hiv h THR 361 Cb 0.79 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 2hiv h THR 361 CO 0.00 0.13 -0.03 0.35 -0.25 0.00 0.00 175.52 175.73 2hiv n THR 362 N -3.69 0.00 -3.92 6.82 -2.24 -1.26 -0.50 114.28 109.49 2hiv n THR 362 Ca -0.02 -0.21 -0.29 0.00 -2.27 0.00 0.00 64.05 61.26 2hiv n THR 362 Cb 0.25 0.37 -0.04 0.00 -2.10 0.00 0.00 70.33 68.82 2hiv n THR 362 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2hiv s LYS 363 N -2.06 3.44 0.60 -0.78 1.02 -0.36 -4.90 119.74 116.70 2hiv s LYS 363 Ca 0.37 -0.48 -0.19 0.00 0.02 0.00 0.00 55.97 55.69 2hiv s LYS 363 Cb 0.21 -3.01 -0.03 0.00 -0.52 0.00 0.00 37.83 34.47 2hiv s LYS 363 CO 0.36 0.58 1.22 -2.14 -0.92 0.00 0.00 175.35 174.45 2hiv s PRO 364 N -2.75 2.93 0.28 -1.68 0.02 -1.26 -4.39 135.00 128.15 2hiv s PRO 364 Ca 0.35 1.87 0.02 0.00 0.02 0.00 0.00 61.00 63.26 2hiv s PRO 364 Cb -0.12 -1.93 0.64 0.00 0.02 0.00 0.00 34.50 33.11 2hiv s PRO 364 CO 0.28 -1.25 1.74 1.25 -0.33 0.00 0.00 177.00 178.69 2hiv h LEU 365 N 0.88 0.48 -1.63 -5.54 5.85 -0.53 0.12 115.31 114.93 2hiv h LEU 365 Ca -0.51 0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.34 2hiv h LEU 365 Cb 1.30 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.37 2hiv h LEU 365 CO 0.55 0.13 0.26 -0.33 -0.34 0.00 0.00 178.44 178.71 2hiv h GLU 366 N 0.54 0.48 0.09 1.25 3.07 -1.89 0.12 114.58 118.25 2hiv h GLU 366 Ca 0.52 -0.03 -0.28 0.00 -0.50 0.00 0.00 59.36 59.07 2hiv h GLU 366 Cb 0.86 -0.11 0.02 0.00 -0.84 0.00 0.00 28.75 28.68 2hiv h GLU 366 CO -0.43 0.32 -1.17 0.00 -1.40 0.00 0.00 179.01 176.33 2hiv h ALA 367 N 1.76 0.11 -0.48 3.43 0.00 -1.16 -0.57 119.26 122.35 2hiv h ALA 367 Ca 0.15 -0.78 -0.07 0.00 0.00 0.00 0.00 54.91 54.21 2hiv h ALA 367 Cb -0.01 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2hiv h ALA 367 CO -0.03 0.77 0.04 0.00 0.00 0.00 0.00 179.25 180.03 2hiv h ARG 368 N 0.23 0.82 -0.27 0.00 3.08 -0.68 -2.06 114.38 115.50 2hiv h ARG 368 Ca -0.15 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 59.61 2hiv h ARG 368 Cb 1.84 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.80 2hiv h ARG 368 CO 0.21 0.85 0.00 0.00 -1.07 0.00 0.00 179.97 179.96 2hiv h ARG 369 N 0.68 0.48 -0.28 0.04 2.47 -0.81 0.81 114.38 117.77 2hiv h ARG 369 Ca 0.14 -0.15 0.06 0.00 -1.26 0.00 0.00 59.98 58.77 2hiv h ARG 369 Cb 0.45 -0.04 -0.06 0.00 -1.65 0.00 0.00 29.97 28.67 2hiv h ARG 369 CO 0.02 0.64 -0.09 -0.22 0.56 0.00 0.00 179.97 180.87 2hiv h LYS 370 N 0.27 -0.03 -0.27 0.04 3.64 -1.07 0.12 116.57 119.26 2hiv h LYS 370 Ca 0.08 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 2hiv h LYS 370 Cb 0.42 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 2hiv h LYS 370 CO 0.01 -0.02 0.11 1.25 -2.27 0.00 0.00 179.45 178.53 2hiv h LEU 371 N -0.03 0.15 -0.42 5.20 6.46 -1.22 -2.14 115.31 123.30 2hiv h LEU 371 Ca 0.14 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 57.96 2hiv h LEU 371 Cb 0.25 -0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.14 2hiv h LEU 371 CO -0.31 0.12 0.20 0.25 -0.62 0.00 0.00 178.44 178.08 2hiv h LEU 372 N 0.25 0.29 -0.86 2.25 5.85 -0.08 -1.73 115.31 121.27 2hiv h LEU 372 Ca 0.11 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 2hiv h LEU 372 Cb 0.06 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 2hiv h LEU 372 CO -0.10 0.21 0.53 -0.33 -0.34 0.00 0.00 178.44 178.41 2hiv h GLU 373 N 0.41 1.16 0.00 1.25 5.08 -0.68 -2.66 114.58 119.13 2hiv h GLU 373 Ca 0.18 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2hiv h GLU 373 Cb 0.10 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.11 2hiv h GLU 373 CO -0.14 0.81 0.00 0.66 -1.00 0.00 0.00 179.01 179.34 2hiv h SER 374 N 1.18 0.00 0.06 1.42 4.64 -0.64 -3.12 113.55 117.09 2hiv h SER 374 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2hiv h SER 374 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 2hiv h SER 374 CO -0.06 0.00 -0.56 2.30 -0.87 0.00 0.00 176.83 177.64 2hiv n ILE 375 N -2.91 0.00 -3.40 0.95 -5.35 -0.96 -4.81 119.36 102.88 2hiv n ILE 375 Ca 0.01 -0.16 -0.41 0.00 -0.27 0.00 0.00 62.75 61.92 2hiv n ILE 375 Cb 0.28 0.99 -0.09 0.00 -1.74 0.00 0.00 39.64 39.07 2hiv n ILE 375 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2hiv s VAL 376 N -2.64 5.17 0.24 7.28 1.01 -1.18 0.13 120.40 130.41 2hiv s VAL 376 Ca 0.17 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 2hiv s VAL 376 Cb 0.18 -3.85 -0.09 0.00 0.00 0.00 0.00 36.38 32.61 2hiv s VAL 376 CO 0.64 -0.14 1.32 -0.54 0.00 0.00 0.00 175.10 176.38 2hiv s LYS 377 N 2.00 4.38 0.16 2.72 1.02 0.31 -4.94 119.74 125.39 2hiv s LYS 377 Ca 0.11 2.11 -0.34 0.00 0.02 0.00 0.00 55.97 57.88 2hiv s LYS 377 Cb -0.17 -3.15 -0.15 0.00 -0.52 0.00 0.00 37.83 33.84 2hiv s LYS 377 CO 0.12 -0.24 1.38 -2.30 -0.92 0.00 0.00 175.35 173.39 2hiv n PRO 378 N 2.11 1.65 -3.80 -1.68 -0.02 -1.26 -4.91 135.00 127.09 2hiv n PRO 378 Ca 0.04 0.59 -0.05 0.00 -2.02 0.00 0.00 63.50 62.07 2hiv n PRO 378 Cb 0.42 -2.24 -0.01 0.00 -0.02 0.00 0.00 33.50 31.65 2hiv n PRO 378 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2hiv s ASN 379 N 0.44 -0.16 0.00 2.55 2.20 -1.26 -5.05 114.94 113.66 2hiv s ASN 379 Ca 0.76 -0.54 0.29 0.00 -0.94 0.00 0.00 52.86 52.44 2hiv s ASN 379 Cb -0.78 0.57 1.32 0.00 -2.00 0.00 0.00 41.25 40.37 2hiv s ASN 379 CO 0.46 -1.07 1.92 0.47 -2.94 0.00 0.00 177.10 175.94 2hiv n ASP 380 N -0.63 0.35 -0.00 3.54 8.00 -1.26 -4.49 116.55 122.07 2hiv n ASP 380 Ca -0.05 -0.51 -0.00 0.00 0.71 0.00 0.00 54.79 54.93 2hiv n ASP 380 Cb 0.60 -0.11 -0.00 0.00 -0.02 0.00 0.00 41.12 41.58 2hiv n ASP 380 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2hiv n TYR 381 N -1.02 0.00 -4.30 1.24 4.02 -1.26 -4.98 117.16 110.86 2hiv n TYR 381 Ca 0.15 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.72 2hiv n TYR 381 Cb 0.26 -0.02 -0.16 0.00 -0.02 0.00 0.00 39.34 39.40 2hiv n TYR 381 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2hiv s VAL 382 N -2.01 1.88 0.10 -0.72 1.01 -1.26 -0.12 120.40 119.29 2hiv s VAL 382 Ca -0.01 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 2hiv s VAL 382 Cb 0.00 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 2hiv s VAL 382 CO 0.01 0.51 0.10 -0.54 0.00 0.00 0.00 175.10 175.18 2hiv s LYS 383 N 1.16 0.85 0.12 2.72 1.02 0.08 -4.48 119.74 121.20 2hiv s LYS 383 Ca 0.00 -1.22 -0.29 0.00 0.02 0.00 0.00 55.97 54.48 2hiv s LYS 383 Cb -0.14 0.28 -0.06 0.00 -0.52 0.00 0.00 37.83 37.39 2hiv s LYS 383 CO -0.08 -0.24 0.91 0.42 -0.92 0.00 0.00 175.35 175.44 2hiv s ILE 384 N -3.95 4.49 0.08 2.17 -1.09 -1.26 -0.05 121.20 121.58 2hiv s ILE 384 Ca 0.13 1.97 -0.33 0.00 -2.23 0.00 0.00 60.65 60.19 2hiv s ILE 384 Cb 0.06 -4.27 -0.18 0.00 -1.58 0.00 0.00 42.46 36.49 2hiv s ILE 384 CO -0.05 0.36 0.79 0.00 -1.23 0.00 0.00 174.94 174.81 2hiv n ALA 385 N 2.57 -3.17 -1.69 9.38 0.00 0.40 -4.73 120.51 123.26 2hiv n ALA 385 Ca 0.00 0.50 -0.44 0.00 0.00 0.00 0.00 53.44 53.51 2hiv n ALA 385 Cb 0.49 -1.59 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 2hiv n ALA 385 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2hiv n HIS 386 N 0.83 2.56 -3.90 0.00 -0.00 -1.26 -4.87 115.22 108.57 2hiv n HIS 386 Ca 0.18 -0.02 -0.09 0.00 0.46 0.00 0.00 57.72 58.25 2hiv n HIS 386 Cb 0.14 -2.68 -0.05 0.00 -0.12 0.00 0.00 29.99 27.28 2hiv n HIS 386 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2hiv s HIS 387 N 2.19 0.17 0.17 1.57 -3.43 -1.26 -0.53 115.29 114.17 2hiv s HIS 387 Ca 0.81 -0.54 -0.03 0.00 -0.80 0.00 0.00 55.06 54.50 2hiv s HIS 387 Cb -0.54 0.26 -0.03 0.00 -1.43 0.00 0.00 32.58 30.84 2hiv s HIS 387 CO 0.38 -0.96 0.14 0.96 -2.00 0.00 0.00 174.74 173.26 2hiv s ILE 388 N -3.96 0.05 -0.28 -5.38 -4.36 -0.59 -4.98 121.20 101.70 2hiv s ILE 388 Ca 0.17 -1.87 -0.11 0.00 -0.26 0.00 0.00 60.65 58.58 2hiv s ILE 388 Cb -0.01 -2.24 -0.05 0.00 1.25 0.00 0.00 42.46 41.42 2hiv s ILE 388 CO 0.04 -0.21 0.19 -1.58 0.24 0.00 0.00 174.94 173.61 2hiv s GLN 389 N -4.09 3.94 -0.14 0.37 0.74 -1.26 -0.70 119.66 118.52 2hiv s GLN 389 Ca 0.30 -0.32 -0.16 0.00 0.05 0.00 0.00 55.36 55.22 2hiv s GLN 389 Cb 0.06 -3.65 -0.04 0.00 1.10 0.00 0.00 33.01 30.48 2hiv s GLN 389 CO 0.07 -0.18 0.39 0.00 -0.55 0.00 0.00 175.29 175.02 2hiv s ALA 390 N 1.74 3.53 -0.99 1.58 0.00 0.93 -4.92 121.76 123.62 2hiv s ALA 390 Ca 0.07 -0.33 0.09 0.00 0.00 0.00 0.00 51.96 51.79 2hiv s ALA 390 Cb -0.16 -2.53 0.14 0.00 0.00 0.00 0.00 23.12 20.57 2hiv s ALA 390 CO 0.11 0.02 0.96 0.09 0.00 0.00 0.00 175.76 176.94 2hiv n ASN 391 N 3.68 2.16 -3.59 0.00 3.02 -1.26 -1.16 115.26 118.11 2hiv n ASN 391 Ca -0.09 -1.63 -0.10 0.00 -0.03 0.00 0.00 54.58 52.73 2hiv n ASN 391 Cb 0.52 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.58 2hiv n ASN 391 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2hiv s ASN 392 N -0.86 -0.41 0.35 6.41 2.20 -1.26 -4.75 114.94 116.62 2hiv s ASN 392 Ca 0.14 -0.25 0.06 0.00 -0.94 0.00 0.00 52.86 51.87 2hiv s ASN 392 Cb 0.09 0.60 0.65 0.00 -2.00 0.00 0.00 41.25 40.59 2hiv s ASN 392 CO 0.12 -1.04 1.87 0.58 -2.94 0.00 0.00 177.10 175.69 2hiv h VAL 393 N 2.09 1.20 -0.12 3.54 2.07 -1.92 -2.73 116.25 120.39 2hiv h VAL 393 Ca -0.30 -0.87 -0.13 0.00 0.82 0.00 0.00 66.70 66.22 2hiv h VAL 393 Cb 1.28 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 2hiv h VAL 393 CO 0.37 0.28 -0.49 -0.33 0.02 0.00 0.00 177.57 177.42 2hiv h GLU 394 N 0.36 0.31 -0.36 1.57 4.39 -1.98 0.23 114.58 119.10 2hiv h GLU 394 Ca 0.07 -0.17 0.06 0.00 0.34 0.00 0.00 59.36 59.66 2hiv h GLU 394 Cb 0.41 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.02 2hiv h GLU 394 CO 0.02 0.73 0.03 -0.44 -1.16 0.00 0.00 179.01 178.19 2hiv h ASP 395 N 0.25 -0.09 0.09 1.42 3.32 -1.93 -0.68 116.42 118.79 2hiv h ASP 395 Ca 0.01 0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 2hiv h ASP 395 Cb 0.95 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2hiv h ASP 395 CO 0.08 -0.01 -0.04 0.25 -1.72 0.00 0.00 179.24 177.80 2hiv h LEU 396 N 0.13 -0.10 -0.39 1.55 5.85 -1.09 -1.48 115.31 119.79 2hiv h LEU 396 Ca 0.18 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.75 2hiv h LEU 396 Cb 0.23 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 2hiv h LEU 396 CO -0.27 0.14 0.14 0.11 -0.34 0.00 0.00 178.44 178.21 2hiv h LYS 397 N -0.34 0.29 -0.35 1.25 1.57 -0.48 0.18 116.57 118.68 2hiv h LYS 397 Ca -0.01 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.79 2hiv h LYS 397 Cb 0.29 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.50 2hiv h LYS 397 CO 0.02 0.19 0.12 0.77 -0.57 0.00 0.00 179.45 179.98 2hiv h SER 398 N 0.29 0.14 -0.48 0.86 0.02 -1.06 0.19 113.55 113.52 2hiv h SER 398 Ca 0.18 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.12 2hiv h SER 398 Cb 0.16 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 2hiv h SER 398 CO -0.18 0.12 0.12 0.15 -1.14 0.00 0.00 176.83 175.89 2hiv h PHE 399 N 0.27 0.80 -0.42 3.45 3.57 -0.90 0.45 116.94 124.15 2hiv h PHE 399 Ca 0.16 -0.09 0.08 0.00 3.53 0.00 0.00 57.97 61.64 2hiv h PHE 399 Cb 0.13 -0.22 -0.07 0.00 2.79 0.00 0.00 35.95 38.58 2hiv h PHE 399 CO -0.14 0.72 0.02 0.35 -2.23 0.00 0.00 178.31 177.02 2hiv h PHE 400 N 0.64 0.00 -0.51 0.41 3.57 -0.09 0.10 116.94 121.07 2hiv h PHE 400 Ca 0.15 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.59 2hiv h PHE 400 Cb 0.32 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 2hiv h PHE 400 CO 0.02 -0.07 -0.05 1.88 -2.23 0.00 0.00 178.31 177.86 2hiv h TYR 401 N 0.13 0.97 -0.99 0.41 -1.99 -0.04 -1.72 116.97 113.74 2hiv h TYR 401 Ca 0.21 -0.16 0.01 0.00 2.00 0.00 0.00 58.73 60.79 2hiv h TYR 401 Cb 0.30 -0.25 -0.05 0.00 2.00 0.00 0.00 36.73 38.72 2hiv h TYR 401 CO -0.27 0.90 0.66 0.00 -0.00 0.00 0.00 178.16 179.45 2hiv h ARG 402 N 0.81 1.30 -0.61 4.88 2.47 -0.61 -0.74 114.38 121.89 2hiv h ARG 402 Ca 0.14 -0.08 -0.04 0.00 -1.26 0.00 0.00 59.98 58.75 2hiv h ARG 402 Cb 0.55 -0.29 -0.03 0.00 -1.65 0.00 0.00 29.97 28.55 2hiv h ARG 402 CO 0.03 0.86 0.24 0.00 0.56 0.00 0.00 179.97 181.66 2hiv h ALA 403 N 1.38 0.80 0.02 0.04 0.00 -0.02 -2.09 119.26 119.39 2hiv h ALA 403 Ca 0.36 -0.17 -0.23 0.00 0.00 0.00 0.00 54.91 54.87 2hiv h ALA 403 Cb -0.15 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.37 2hiv h ALA 403 CO -0.08 0.42 -1.16 -0.84 0.00 0.00 0.00 179.25 177.59 2hiv h ILE 404 N 0.86 1.54 -0.40 0.00 3.07 -1.30 -0.90 117.51 120.38 2hiv h ILE 404 Ca 0.20 -3.25 0.09 0.00 1.55 0.00 0.00 64.86 63.46 2hiv h ILE 404 Cb 0.21 2.80 -0.02 0.00 -0.27 0.00 0.00 36.82 39.54 2hiv h ILE 404 CO -0.02 0.89 0.28 0.77 -1.05 0.00 0.00 178.15 179.02 2hiv h SER 405 N 0.01 0.10 -0.12 2.16 4.64 -1.01 0.88 113.55 120.22 2hiv h SER 405 Ca -0.08 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.21 2hiv h SER 405 Cb 1.84 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.89 2hiv h SER 405 CO 0.13 0.06 0.05 -0.62 -0.87 0.00 0.00 176.83 175.58 2hiv n GLU 406 N -4.45 1.41 -0.89 4.77 1.02 -0.80 -4.84 120.64 116.87 2hiv n GLU 406 Ca 0.06 -0.47 0.00 0.00 -0.02 0.00 0.00 57.16 56.73 2hiv n GLU 406 Cb 0.39 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 2hiv n GLU 406 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2hiv n GLY 407 N 0.17 0.53 3.69 0.62 0.00 0.30 -4.97 105.19 105.53 2hiv n GLY 407 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 2hiv n GLY 407 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2hiv s GLY 408 N -2.00 1.61 0.32 -0.02 0.00 -0.35 -4.92 107.32 101.95 2hiv s GLY 408 Ca 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 44.72 44.66 2hiv s GLY 408 CO 0.00 0.45 1.92 0.83 0.00 0.00 0.00 173.10 176.31 2hiv h GLU 409 N -1.72 0.82 0.00 2.90 5.08 -1.83 -3.40 114.58 116.44 2hiv h GLU 409 Ca -0.51 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 57.75 2hiv h GLU 409 Cb 1.29 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2hiv h GLU 409 CO 0.54 0.64 0.00 0.41 -1.00 0.00 0.00 179.01 179.60 2hiv n GLY 410 N -1.16 0.41 3.15 -3.84 0.00 -1.26 -1.40 105.19 101.09 2hiv n GLY 410 Ca 0.05 -1.20 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 2hiv n GLY 410 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2hiv s VAL 411 N -3.65 0.31 -0.17 1.61 -7.23 -0.20 -0.72 120.40 110.35 2hiv s VAL 411 Ca 0.00 -1.90 -0.00 0.00 -1.81 0.00 0.00 61.98 58.27 2hiv s VAL 411 Cb 0.00 -1.88 0.00 0.00 0.56 0.00 0.00 36.38 35.07 2hiv s VAL 411 CO 0.00 -0.66 -0.15 -0.04 -0.31 0.00 0.00 175.10 173.94 2hiv s MET 412 N -3.96 3.18 -0.19 4.82 -1.94 0.26 -0.67 119.30 120.81 2hiv s MET 412 Ca 0.18 -0.75 -0.07 0.00 -1.71 0.00 0.00 55.69 53.34 2hiv s MET 412 Cb 0.07 -2.67 -0.04 0.00 2.01 0.00 0.00 34.83 34.20 2hiv s MET 412 CO -0.02 -0.07 0.05 0.08 -0.01 0.00 0.00 175.02 175.05 2hiv s VAL 413 N 1.04 4.59 -0.06 -6.03 1.01 0.61 -0.74 120.40 120.82 2hiv s VAL 413 Ca -0.01 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.89 2hiv s VAL 413 Cb -0.15 -3.08 0.02 0.00 0.00 0.00 0.00 36.38 33.17 2hiv s VAL 413 CO -0.04 0.44 -0.09 -0.54 0.00 0.00 0.00 175.10 174.87 2hiv s LYS 414 N 0.59 1.39 0.74 2.72 1.02 0.46 0.29 119.74 126.95 2hiv s LYS 414 Ca 0.02 -0.30 -0.15 0.00 0.02 0.00 0.00 55.97 55.56 2hiv s LYS 414 Cb -0.13 -1.20 0.04 0.00 -0.52 0.00 0.00 37.83 36.02 2hiv s LYS 414 CO 0.01 -0.01 1.24 0.00 -0.92 0.00 0.00 175.35 175.68 2hiv s ALA 415 N 0.74 2.07 0.39 5.17 0.00 0.47 -1.07 121.76 129.54 2hiv s ALA 415 Ca -0.14 0.99 0.08 0.00 0.00 0.00 0.00 51.96 52.89 2hiv s ALA 415 Cb -0.15 -3.52 -0.08 0.00 0.00 0.00 0.00 23.12 19.38 2hiv s ALA 415 CO 0.03 -1.98 -0.02 0.96 0.00 0.00 0.00 175.76 174.75 2hiv s ILE 416 N -1.84 2.04 0.00 0.00 -4.36 -1.26 -4.74 121.20 111.05 2hiv s ILE 416 Ca 0.77 -2.05 0.00 0.00 -0.26 0.00 0.00 60.65 59.11 2hiv s ILE 416 Cb -0.32 -2.90 0.00 0.00 1.25 0.00 0.00 42.46 40.48 2hiv s ILE 416 CO 0.46 -0.05 0.00 0.61 0.24 0.00 0.00 174.94 176.19 2hiv n GLY 417 N -0.92 -2.87 0.25 6.27 0.00 -1.26 -4.49 105.19 102.18 2hiv n GLY 417 Ca -0.05 -2.12 0.11 0.00 0.00 0.00 0.00 46.02 43.96 2hiv n GLY 417 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hiv h LYS 418 N 0.87 0.00 0.00 1.61 1.79 -1.98 -0.59 116.57 118.27 2hiv h LYS 418 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2hiv h LYS 418 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2hiv h LYS 418 CO 0.00 0.13 0.00 -0.25 -1.08 0.00 0.00 179.45 178.25 2hiv n ASP 419 N -3.87 0.69 -3.15 0.86 9.92 -1.26 -4.44 116.55 115.29 2hiv n ASP 419 Ca -0.02 0.59 -0.35 0.00 -0.53 0.00 0.00 54.79 54.48 2hiv n ASP 419 Cb 0.23 -0.77 -0.04 0.00 -0.64 0.00 0.00 41.12 39.90 2hiv n ASP 419 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2hiv n ALA 420 N -1.75 7.21 -1.96 2.24 0.00 -0.23 -4.90 120.51 121.12 2hiv n ALA 420 Ca 0.05 -3.43 -0.26 0.00 0.00 0.00 0.00 53.44 49.80 2hiv n ALA 420 Cb 0.37 -3.06 0.13 0.00 0.00 0.00 0.00 19.45 16.89 2hiv n ALA 420 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2hiv s ILE 421 N 1.06 2.11 -0.49 0.00 -5.25 -1.26 0.11 121.20 117.49 2hiv s ILE 421 Ca 0.65 -0.31 -0.21 0.00 -0.99 0.00 0.00 60.65 59.79 2hiv s ILE 421 Cb 0.21 -2.80 0.04 0.00 2.95 0.00 0.00 42.46 42.86 2hiv s ILE 421 CO -0.07 0.00 0.71 -0.47 -1.79 0.00 0.00 174.94 173.32 2hiv s TYR 422 N -3.44 3.00 -1.11 1.37 5.04 0.35 -4.87 117.35 117.69 2hiv s TYR 422 Ca 0.68 -0.22 -0.12 0.00 -2.44 0.00 0.00 57.07 54.97 2hiv s TYR 422 Cb -0.06 -3.58 0.22 0.00 0.35 0.00 0.00 41.96 38.89 2hiv s TYR 422 CO 0.48 -1.04 1.20 -1.14 -1.34 0.00 0.00 175.55 173.71 2hiv s GLN 423 N 3.01 4.05 0.00 4.97 0.74 -1.26 -4.79 119.66 126.38 2hiv s GLN 423 Ca 0.22 -2.78 -0.35 0.00 0.05 0.00 0.00 55.36 52.49 2hiv s GLN 423 Cb -0.16 -4.77 -0.14 0.00 1.10 0.00 0.00 33.01 29.05 2hiv s GLN 423 CO 0.17 -1.49 1.66 0.00 -0.55 0.00 0.00 175.29 175.08 2hiv n ALA 424 N 4.26 0.58 -0.96 1.58 0.00 -1.26 -1.82 120.51 122.89 2hiv n ALA 424 Ca 0.28 0.40 0.00 0.00 0.00 0.00 0.00 53.44 54.11 2hiv n ALA 424 Cb 0.42 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.54 2hiv n ALA 424 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hiv n GLY 425 N 3.71 0.88 3.46 0.00 0.00 -0.43 -4.84 105.19 107.96 2hiv n GLY 425 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 2hiv n GLY 425 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hiv s ALA 426 N -3.50 2.60 -0.31 4.61 0.00 -0.76 -4.82 121.76 119.59 2hiv s ALA 426 Ca 0.00 -1.26 -0.08 0.00 0.00 0.00 0.00 51.96 50.61 2hiv s ALA 426 Cb 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.44 2hiv s ALA 426 CO 0.00 0.58 0.12 0.50 0.00 0.00 0.00 175.76 176.96 2hiv s ARG 427 N -1.70 3.21 0.00 0.00 3.52 -1.26 -0.46 118.95 122.25 2hiv s ARG 427 Ca 0.16 -0.79 0.00 0.00 -0.13 0.00 0.00 55.73 54.96 2hiv s ARG 427 Cb -0.10 -3.49 0.00 0.00 -1.56 0.00 0.00 34.95 29.80 2hiv s ARG 427 CO 0.07 -0.44 0.00 0.41 -0.81 0.00 0.00 175.30 174.53 2hiv n GLY 428 N 4.93 3.86 0.24 8.12 0.00 -1.26 -4.89 105.19 116.19 2hiv n GLY 428 Ca -0.14 -1.13 0.14 0.00 0.00 0.00 0.00 46.02 44.90 2hiv n GLY 428 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2hiv n TRP 429 N 0.00 0.00 0.18 1.61 7.02 -1.26 -2.57 117.44 122.43 2hiv n TRP 429 Ca 0.00 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.52 2hiv n TRP 429 Cb 0.00 -0.08 0.33 0.00 -2.42 0.00 0.00 31.31 29.13 2hiv n TRP 429 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 2hiv h LEU 430 N 1.16 0.00 -8.09 -0.99 3.38 -1.93 -3.41 115.31 105.43 2hiv h LEU 430 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 2hiv h LEU 430 Cb 0.37 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 40.79 2hiv h LEU 430 CO 0.00 0.41 -0.83 0.26 0.09 0.00 0.00 178.44 178.36 2hiv s TRP 431 N -3.69 1.77 -0.05 1.13 0.52 -1.25 -0.39 118.94 116.97 2hiv s TRP 431 Ca -0.01 -0.68 0.01 0.00 0.02 0.00 0.00 56.10 55.45 2hiv s TRP 431 Cb 0.12 -1.25 0.02 0.00 -1.15 0.00 0.00 33.47 31.21 2hiv s TRP 431 CO 0.70 -0.31 -0.05 0.42 0.02 0.00 0.00 176.95 177.72 2hiv s ILE 432 N 0.56 0.59 0.07 2.03 1.01 0.15 -0.42 121.20 125.18 2hiv s ILE 432 Ca -0.16 -0.15 -0.20 0.00 0.00 0.00 0.00 60.65 60.14 2hiv s ILE 432 Cb -0.16 -0.61 -0.07 0.00 0.01 0.00 0.00 42.46 41.64 2hiv s ILE 432 CO 0.05 0.24 0.59 -1.59 0.00 0.00 0.00 174.94 174.23 2hiv s LYS 433 N 0.91 4.25 -0.29 2.79 -2.85 0.53 -0.28 119.74 124.79 2hiv s LYS 433 Ca -0.11 0.77 0.01 0.00 -1.00 0.00 0.00 55.97 55.65 2hiv s LYS 433 Cb -0.14 -3.25 0.07 0.00 -2.06 0.00 0.00 37.83 32.44 2hiv s LYS 433 CO 0.00 0.60 -0.04 -1.17 0.10 0.00 0.00 175.35 174.85 2hiv s LEU 434 N -1.00 3.86 0.29 2.77 0.20 0.16 -2.58 118.68 122.38 2hiv s LEU 434 Ca 0.30 -1.51 0.08 0.00 0.69 0.00 0.00 54.13 53.69 2hiv s LEU 434 Cb -0.20 -1.62 -0.04 0.00 -0.43 0.00 0.00 46.19 43.90 2hiv s LEU 434 CO 0.19 -0.26 0.16 -0.54 -0.29 0.00 0.00 176.35 175.62 2hiv s LYS 435 N 1.12 2.63 0.57 1.98 1.02 -1.26 -1.03 119.74 124.77 2hiv s LYS 435 Ca -0.04 -1.29 0.26 0.00 0.02 0.00 0.00 55.97 54.92 2hiv s LYS 435 Cb -0.20 -2.38 0.90 0.00 -0.52 0.00 0.00 37.83 35.63 2hiv s LYS 435 CO -0.04 0.26 1.24 2.89 -0.92 0.00 0.00 175.35 178.78 2hiv n ARG 436 N -1.16 0.01 0.00 1.68 1.85 -0.50 -0.53 116.66 118.02 2hiv n ARG 436 Ca -0.05 0.97 0.00 0.00 -1.00 0.00 0.00 57.85 57.77 2hiv n ARG 436 Cb 0.59 -2.41 0.00 0.00 -1.05 0.00 0.00 32.46 29.60 2hiv n ARG 436 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 2hiv n ASP 437 N -3.17 0.00 -0.37 2.89 5.75 -1.26 -2.26 116.55 118.12 2hiv n ASP 437 Ca 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.01 2hiv n ASP 437 Cb 1.48 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.57 2hiv n ASP 437 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2hiv n TYR 438 N -0.53 0.00 -0.57 2.11 0.53 0.31 -4.41 117.16 114.61 2hiv n TYR 438 Ca 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 57.90 56.80 2hiv n TYR 438 Cb 0.00 -0.05 -0.08 0.00 -1.03 0.00 0.00 39.34 38.18 2hiv n TYR 438 CO 0.00 0.00 0.00 1.04 -1.02 0.00 0.00 176.86 176.88 2hiv n GLN 439 N -0.00 1.20 0.00 -0.72 6.02 -0.96 -3.08 117.38 119.84 2hiv n GLN 439 Ca 0.00 -0.65 0.00 0.00 -0.01 0.00 0.00 57.00 56.34 2hiv n GLN 439 Cb 0.12 -1.85 0.00 0.00 1.02 0.00 0.00 30.24 29.53 2hiv n GLN 439 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2hiv n SER 440 N 2.90 0.51 0.00 1.08 3.41 -1.26 -4.95 113.62 115.31 2hiv n SER 440 Ca 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 2hiv n SER 440 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 2hiv n SER 440 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2hiv n GLU 441 N -2.54 0.00 -1.97 4.33 0.00 -1.18 -4.48 120.64 114.80 2hiv n GLU 441 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 57.16 56.91 2hiv n GLU 441 Cb 0.24 -0.31 -0.06 0.00 0.00 0.00 0.00 31.44 31.31 2hiv n GLU 441 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.13 178.54 2hiv s MET 442 N -0.09 2.30 0.00 3.44 -2.45 -1.26 -4.49 119.30 116.75 2hiv s MET 442 Ca 0.00 -0.66 0.21 0.00 -1.25 0.00 0.00 55.69 53.99 2hiv s MET 442 Cb 0.00 -5.12 0.58 0.00 1.25 0.00 0.00 34.83 31.54 2hiv s MET 442 CO 0.00 -3.98 1.47 0.00 1.05 0.00 0.00 175.02 173.55 2hiv n ALA 443 N 15.16 2.47 -3.72 4.11 0.00 -1.06 -4.84 120.51 132.63 2hiv n ALA 443 Ca 0.43 -0.74 -0.19 0.00 0.00 0.00 0.00 53.44 52.94 2hiv n ALA 443 Cb 0.46 -0.99 -0.17 0.00 0.00 0.00 0.00 19.45 18.76 2hiv n ALA 443 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2hiv s ASP 444 N -1.51 0.79 -0.12 0.00 -4.77 -1.12 -5.03 116.67 104.91 2hiv s ASP 444 Ca 0.35 0.02 0.01 0.00 -3.30 0.00 0.00 52.55 49.63 2hiv s ASP 444 Cb 0.20 -0.18 0.02 0.00 -1.09 0.00 0.00 42.92 41.86 2hiv s ASP 444 CO 0.28 -0.18 -0.14 0.28 0.70 0.00 0.00 175.17 176.11 2hiv s THR 445 N 1.63 1.46 0.11 2.11 -1.32 -1.26 -1.92 115.64 116.45 2hiv s THR 445 Ca -0.02 -0.60 0.04 0.00 -1.21 0.00 0.00 61.69 59.91 2hiv s THR 445 Cb -0.13 -1.36 -0.04 0.00 -1.51 0.00 0.00 72.50 69.47 2hiv s THR 445 CO -0.03 0.44 -0.11 0.68 -2.21 0.00 0.00 174.62 173.38 2hiv s VAL 446 N 1.20 1.07 -0.26 5.08 -7.23 0.91 -4.96 120.40 116.21 2hiv s VAL 446 Ca -0.02 -1.71 -0.06 0.00 -1.81 0.00 0.00 61.98 58.37 2hiv s VAL 446 Cb -0.14 -1.47 -0.01 0.00 0.56 0.00 0.00 36.38 35.32 2hiv s VAL 446 CO -0.05 -0.55 0.05 -1.81 -0.31 0.00 0.00 175.10 172.44 2hiv s ASP 447 N -2.54 4.96 0.22 4.85 1.01 -1.26 0.20 116.67 124.11 2hiv s ASP 447 Ca 0.08 -0.45 0.08 0.00 0.71 0.00 0.00 52.55 52.97 2hiv s ASP 447 Cb -0.03 -1.87 -0.05 0.00 1.01 0.00 0.00 42.92 41.99 2hiv s ASP 447 CO 0.01 -0.10 -0.15 -0.76 0.21 0.00 0.00 175.17 174.38 2hiv s LEU 448 N 1.54 2.56 -0.17 1.23 1.43 0.17 0.71 118.68 126.15 2hiv s LEU 448 Ca 0.05 -1.02 -0.09 0.00 -1.03 0.00 0.00 54.13 52.04 2hiv s LEU 448 Cb -0.16 -0.74 -0.05 0.00 0.03 0.00 0.00 46.19 45.28 2hiv s LEU 448 CO 0.02 -0.14 0.12 -0.69 0.23 0.00 0.00 176.35 175.89 2hiv s VAL 449 N -2.90 5.30 -0.14 -1.59 1.01 0.26 -0.46 120.40 121.88 2hiv s VAL 449 Ca 0.24 0.15 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 2hiv s VAL 449 Cb -0.01 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 2hiv s VAL 449 CO 0.08 0.49 1.18 -0.69 0.00 0.00 0.00 175.10 176.17 2hiv s VAL 450 N -0.03 4.39 -0.12 2.92 1.01 0.07 0.10 120.40 128.75 2hiv s VAL 450 Ca 0.09 1.69 0.01 0.00 0.00 0.00 0.00 61.98 63.77 2hiv s VAL 450 Cb -0.11 -4.09 -0.00 0.00 0.00 0.00 0.00 36.38 32.18 2hiv s VAL 450 CO -0.00 -0.09 0.27 1.33 0.00 0.00 0.00 175.10 176.61 2hiv n VAL 451 N 5.05 0.00 -3.68 2.92 0.24 -0.08 -4.10 118.33 118.68 2hiv n VAL 451 Ca 0.12 -0.48 0.01 0.00 -2.04 0.00 0.00 64.34 61.95 2hiv n VAL 451 Cb 0.46 1.01 -0.00 0.00 -1.47 0.00 0.00 33.84 33.84 2hiv n VAL 451 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2hiv s GLY 452 N -0.70 -0.36 0.16 7.63 0.00 -1.20 -1.58 107.32 111.27 2hiv s GLY 452 Ca 0.01 0.55 0.02 0.00 0.00 0.00 0.00 44.72 45.31 2hiv s GLY 452 CO 0.04 0.86 -0.02 -0.32 0.00 0.00 0.00 173.10 173.66 2hiv s GLY 453 N -3.10 1.12 -0.03 0.20 0.00 -0.26 -0.55 107.32 104.70 2hiv s GLY 453 Ca 0.16 -1.53 0.05 0.00 0.00 0.00 0.00 44.72 43.40 2hiv s GLY 453 CO -0.03 -1.52 -0.18 -1.36 0.00 0.00 0.00 173.10 170.00 2hiv s PHE 454 N -3.61 1.75 0.46 1.90 0.40 0.10 -0.22 117.98 118.75 2hiv s PHE 454 Ca 0.21 -0.42 -0.23 0.00 -0.60 0.00 0.00 56.93 55.89 2hiv s PHE 454 Cb 0.06 -1.15 -0.07 0.00 0.51 0.00 0.00 43.02 42.36 2hiv s PHE 454 CO 0.02 -0.10 1.16 0.71 0.70 0.00 0.00 175.22 177.70 2hiv s TYR 455 N -0.22 2.88 0.00 0.36 1.51 -1.26 -1.44 117.35 119.18 2hiv s TYR 455 Ca 0.02 1.54 0.00 0.00 -1.01 0.00 0.00 57.07 57.62 2hiv s TYR 455 Cb -0.10 -3.36 0.00 0.00 -0.11 0.00 0.00 41.96 38.40 2hiv s TYR 455 CO 0.01 -1.46 0.00 0.41 -1.11 0.00 0.00 175.55 173.40 2hiv n GLY 456 N 0.41 -1.40 3.52 0.71 0.00 -0.29 -4.77 105.19 103.36 2hiv n GLY 456 Ca 0.08 -1.56 -0.24 0.00 0.00 0.00 0.00 46.02 44.29 2hiv n GLY 456 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hiv s LYS 457 N -1.21 1.76 7.05 1.61 -0.14 -1.24 -4.05 119.74 123.52 2hiv s LYS 457 Ca 0.00 -1.96 0.00 0.00 -1.36 0.00 0.00 55.97 52.65 2hiv s LYS 457 Cb 0.00 -1.31 0.00 0.00 -1.68 0.00 0.00 37.83 34.84 2hiv s LYS 457 CO 0.00 -0.05 0.00 0.41 -0.76 0.00 0.00 175.35 174.95 2hiv n GLY 458 N -0.78 2.02 0.16 -3.33 0.00 -1.26 -3.09 105.19 98.91 2hiv n GLY 458 Ca -0.04 -0.39 0.03 0.00 0.00 0.00 0.00 46.02 45.62 2hiv n GLY 458 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hiv h LYS 459 N 0.00 0.00 -0.98 1.61 1.57 -2.04 -2.55 116.57 114.18 2hiv h LYS 459 Ca 0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 2hiv h LYS 459 Cb 0.00 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 32.01 2hiv h LYS 459 CO 0.00 0.47 0.73 2.89 -0.57 0.00 0.00 179.45 182.97 2hiv n ARG 460 N -3.50 2.49 0.00 3.15 1.85 -1.18 -4.31 116.66 115.16 2hiv n ARG 460 Ca 0.00 -3.18 0.12 0.00 -1.00 0.00 0.00 57.85 53.79 2hiv n ARG 460 Cb 0.59 -2.23 0.62 0.00 -1.05 0.00 0.00 32.46 30.39 2hiv n ARG 460 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2hiv n GLY 461 N -1.02 -1.16 0.00 2.89 0.00 -0.96 -2.86 105.19 102.08 2hiv n GLY 461 Ca 0.61 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.62 2hiv n GLY 461 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hiv n GLY 462 N 0.89 -1.12 3.46 -0.02 0.00 -1.26 -4.51 105.19 102.64 2hiv n GLY 462 Ca 0.11 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 2hiv n GLY 462 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hiv s LYS 463 N -3.04 2.74 0.11 1.61 1.02 -1.15 -5.00 119.74 116.04 2hiv s LYS 463 Ca 0.08 -0.68 -0.31 0.00 0.02 0.00 0.00 55.97 55.08 2hiv s LYS 463 Cb 0.16 -2.46 -0.09 0.00 -0.52 0.00 0.00 37.83 34.92 2hiv s LYS 463 CO 0.80 0.53 1.59 0.42 -0.92 0.00 0.00 175.35 177.77 2hiv s ILE 464 N -0.48 2.87 0.00 2.17 1.09 -1.26 -1.14 121.20 124.46 2hiv s ILE 464 Ca 0.06 0.50 0.00 0.00 -1.10 0.00 0.00 60.65 60.12 2hiv s ILE 464 Cb -0.12 -3.32 0.00 0.00 -1.06 0.00 0.00 42.46 37.96 2hiv s ILE 464 CO 0.02 0.02 0.82 -1.54 -0.10 0.00 0.00 174.94 174.16 2hiv n SER 465 N 4.76 0.00 -3.67 3.58 3.41 -0.52 -4.61 113.62 116.56 2hiv n SER 465 Ca 0.15 -1.67 -0.08 0.00 -0.26 0.00 0.00 58.87 57.00 2hiv n SER 465 Cb 0.40 -0.13 -0.09 0.00 -0.26 0.00 0.00 64.21 64.13 2hiv n SER 465 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2hiv s SER 466 N -0.67 -0.71 -0.08 4.04 0.15 -1.18 -4.56 113.70 110.69 2hiv s SER 466 Ca 0.00 1.21 0.03 0.00 0.70 0.00 0.00 55.95 57.88 2hiv s SER 466 Cb 0.00 1.24 -0.02 0.00 -1.71 0.00 0.00 66.02 65.53 2hiv s SER 466 CO 0.00 -0.22 -0.15 -0.76 1.20 0.00 0.00 173.24 173.31 2hiv s LEU 467 N 1.81 2.64 -0.37 3.45 1.43 -0.27 0.01 118.68 127.39 2hiv s LEU 467 Ca -0.08 -0.29 -0.27 0.00 -1.03 0.00 0.00 54.13 52.46 2hiv s LEU 467 Cb -0.08 -1.55 0.02 0.00 0.03 0.00 0.00 46.19 44.61 2hiv s LEU 467 CO -0.16 0.27 0.96 -0.22 0.23 0.00 0.00 176.35 177.43 2hiv s LEU 468 N -0.25 3.96 0.08 1.79 2.96 0.28 -0.08 118.68 127.42 2hiv s LEU 468 Ca 0.01 0.66 0.03 0.00 -0.22 0.00 0.00 54.13 54.61 2hiv s LEU 468 Cb -0.13 -3.33 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 2hiv s LEU 468 CO 0.03 -0.88 0.04 -0.04 -1.32 0.00 0.00 176.35 174.18 2hiv s MET 469 N 3.57 2.75 0.01 1.98 -1.94 0.10 -0.90 119.30 124.87 2hiv s MET 469 Ca 0.40 -0.73 -0.02 0.00 -1.71 0.00 0.00 55.69 53.62 2hiv s MET 469 Cb -0.12 -2.66 -0.01 0.00 2.01 0.00 0.00 34.83 34.06 2hiv s MET 469 CO 0.19 0.56 0.03 0.00 -0.01 0.00 0.00 175.02 175.79 2hiv s ALA 470 N -1.33 -0.03 0.25 3.03 0.00 0.12 -0.54 121.76 123.25 2hiv s ALA 470 Ca 0.27 -0.42 -0.00 0.00 0.00 0.00 0.00 51.96 51.81 2hiv s ALA 470 Cb -0.12 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 2hiv s ALA 470 CO 0.20 -0.17 0.43 0.00 0.00 0.00 0.00 175.76 176.22 2hiv s ALA 471 N -1.40 3.80 -0.13 0.00 0.00 -0.13 0.89 121.76 124.79 2hiv s ALA 471 Ca -0.15 -0.88 -0.20 0.00 0.00 0.00 0.00 51.96 50.73 2hiv s ALA 471 Cb -0.09 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 20.98 2hiv s ALA 471 CO -0.00 0.29 0.55 -0.47 0.00 0.00 0.00 175.76 176.13 2hiv s TYR 472 N -2.00 3.49 -0.50 0.00 5.04 -0.15 -0.80 117.35 122.43 2hiv s TYR 472 Ca 0.39 0.96 -0.13 0.00 -2.44 0.00 0.00 57.07 55.85 2hiv s TYR 472 Cb -0.10 -2.65 0.12 0.00 0.35 0.00 0.00 41.96 39.67 2hiv s TYR 472 CO 0.31 0.07 0.41 1.21 -1.34 0.00 0.00 175.55 176.21 2hiv s ASN 473 N 0.80 5.95 0.45 4.32 3.84 0.11 -1.03 114.94 129.38 2hiv s ASN 473 Ca 0.29 -1.80 0.22 0.00 0.21 0.00 0.00 52.86 51.78 2hiv s ASN 473 Cb -0.16 -2.11 1.07 0.00 -0.55 0.00 0.00 41.25 39.51 2hiv s ASN 473 CO 0.12 -0.76 1.92 1.55 -2.79 0.00 0.00 177.10 177.14 2hiv h PRO 474 N 8.66 0.00 -0.29 0.43 0.13 -1.96 0.38 132.00 139.34 2hiv h PRO 474 Ca -0.26 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 2hiv h PRO 474 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2hiv h PRO 474 CO 0.94 0.23 0.09 0.87 -0.23 0.00 0.00 178.00 179.90 2hiv h LYS 475 N 0.00 0.46 -0.02 0.86 1.57 -1.96 -3.17 116.57 114.31 2hiv h LYS 475 Ca -0.00 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2hiv h LYS 475 Cb 0.57 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2hiv h LYS 475 CO 0.03 0.51 -0.35 0.25 -0.57 0.00 0.00 179.45 179.32 2hiv n THR 476 N -4.70 0.00 -3.73 -0.16 -2.24 -1.11 -4.98 114.28 97.36 2hiv n THR 476 Ca -0.02 -0.31 -0.22 0.00 -2.27 0.00 0.00 64.05 61.22 2hiv n THR 476 Cb 0.16 1.27 0.03 0.00 -2.10 0.00 0.00 70.33 69.70 2hiv n THR 476 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2hiv n ASP 477 N 0.28 -1.66 -4.28 3.42 2.03 0.13 -4.99 116.55 111.48 2hiv n ASP 477 Ca 0.11 -0.81 -0.15 0.00 0.52 0.00 0.00 54.79 54.45 2hiv n ASP 477 Cb 0.49 -4.05 -0.10 0.00 -0.72 0.00 0.00 41.12 36.75 2hiv n ASP 477 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2hiv s SER 478 N -4.22 1.88 -0.20 1.67 0.01 -1.01 -4.85 113.70 106.98 2hiv s SER 478 Ca 0.09 -1.07 -0.06 0.00 1.31 0.00 0.00 55.95 56.23 2hiv s SER 478 Cb -0.05 -0.02 -0.03 0.00 0.21 0.00 0.00 66.02 66.14 2hiv s SER 478 CO 0.81 -0.37 0.02 -0.36 0.41 0.00 0.00 173.24 173.75 2hiv s PHE 479 N -3.32 3.06 -0.19 2.43 0.40 0.19 0.08 117.98 120.64 2hiv s PHE 479 Ca 0.20 -0.40 -0.03 0.00 -0.60 0.00 0.00 56.93 56.11 2hiv s PHE 479 Cb 0.03 -2.10 -0.01 0.00 0.51 0.00 0.00 43.02 41.44 2hiv s PHE 479 CO 0.03 -0.22 -0.06 -1.21 0.70 0.00 0.00 175.22 174.47 2hiv s GLU 480 N 1.02 3.43 0.32 0.44 2.02 0.02 0.86 118.70 126.80 2hiv s GLU 480 Ca 0.02 -0.62 -0.29 0.00 0.02 0.00 0.00 54.97 54.10 2hiv s GLU 480 Cb -0.14 -2.91 -0.12 0.00 0.10 0.00 0.00 34.13 31.06 2hiv s GLU 480 CO 0.02 -0.03 1.52 -1.13 0.02 0.00 0.00 175.26 175.65 2hiv n SER 481 N 4.31 3.66 0.00 -0.19 3.41 -0.82 -0.96 113.62 123.03 2hiv n SER 481 Ca -0.18 1.18 0.00 0.00 -0.26 0.00 0.00 58.87 59.61 2hiv n SER 481 Cb 0.51 -1.58 0.00 0.00 -0.26 0.00 0.00 64.21 62.88 2hiv n SER 481 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2hiv n VAL 482 N 1.39 0.00 -3.81 -3.33 0.31 0.30 -2.00 118.33 111.19 2hiv n VAL 482 Ca 0.06 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.34 2hiv n VAL 482 Cb 0.37 -0.84 -0.01 0.00 -0.91 0.00 0.00 33.84 32.45 2hiv n VAL 482 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2hiv s LYS 484 N -3.34 2.86 -0.17 0.00 2.20 -1.26 0.03 119.74 120.06 2hiv s LYS 484 Ca 0.13 -0.94 -0.04 0.00 -0.36 0.00 0.00 55.97 54.76 2hiv s LYS 484 Cb -0.03 -2.79 -0.03 0.00 -1.51 0.00 0.00 37.83 33.47 2hiv s LYS 484 CO 0.05 -0.32 -0.03 0.08 -0.36 0.00 0.00 175.35 174.77 2hiv s VAL 485 N 1.29 3.90 0.00 4.02 1.01 0.89 -4.82 120.40 126.68 2hiv s VAL 485 Ca 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.65 2hiv s VAL 485 Cb -0.15 -2.72 0.00 0.00 0.00 0.00 0.00 36.38 33.50 2hiv s VAL 485 CO -0.08 0.47 0.00 0.00 0.00 0.00 0.00 175.10 175.49 2hiv n ALA 486 N 3.77 1.77 -2.89 5.51 0.00 -1.26 -1.11 120.51 126.30 2hiv n ALA 486 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.98 2hiv n ALA 486 Cb 0.52 0.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.95 2hiv n ALA 486 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2hiv s SER 487 N -1.86 6.09 0.00 0.00 1.04 -1.26 -4.55 113.70 113.16 2hiv s SER 487 Ca 0.00 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.56 2hiv s SER 487 Cb 0.00 -1.79 0.00 0.00 0.10 0.00 0.00 66.02 64.33 2hiv s SER 487 CO 0.00 0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.95 2hiv n GLY 488 N -0.06 2.35 3.68 7.32 0.00 -1.26 0.15 105.19 117.37 2hiv n GLY 488 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 2hiv n GLY 488 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hiv s PHE 489 N -2.17 3.47 0.90 1.61 0.40 -1.26 -4.73 117.98 116.20 2hiv s PHE 489 Ca 0.00 1.36 -0.11 0.00 -0.60 0.00 0.00 56.93 57.58 2hiv s PHE 489 Cb 0.00 -3.04 0.13 0.00 0.51 0.00 0.00 43.02 40.62 2hiv s PHE 489 CO 0.00 -0.19 1.12 -1.54 0.70 0.00 0.00 175.22 175.30 2hiv s SER 490 N 1.10 3.18 0.28 1.36 1.04 -1.26 -4.68 113.70 114.72 2hiv s SER 490 Ca 0.41 1.98 0.02 0.00 0.48 0.00 0.00 55.95 58.85 2hiv s SER 490 Cb -0.17 -2.50 0.68 0.00 0.10 0.00 0.00 66.02 64.12 2hiv s SER 490 CO 0.15 -2.91 1.69 0.44 0.98 0.00 0.00 173.24 173.59 2hiv h ASP 491 N -1.73 0.23 -0.10 7.02 3.32 -1.99 0.10 116.42 123.27 2hiv h ASP 491 Ca -0.45 0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.73 2hiv h ASP 491 Cb 1.27 0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.98 2hiv h ASP 491 CO 0.46 -0.03 -0.02 -0.08 -1.72 0.00 0.00 179.24 177.84 2hiv h GLU 492 N 0.35 0.19 -0.76 3.56 4.81 -1.99 -1.47 114.58 119.27 2hiv h GLU 492 Ca 0.53 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.74 2hiv h GLU 492 Cb 1.00 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.32 2hiv h GLU 492 CO -0.54 0.50 0.46 1.96 -0.73 0.00 0.00 179.01 180.66 2hiv h GLN 493 N -0.14 0.84 -0.35 1.92 4.20 -1.78 -0.52 115.11 119.28 2hiv h GLN 493 Ca 0.02 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.73 2hiv h GLN 493 Cb 0.44 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 2hiv h GLN 493 CO 0.01 0.56 0.11 -0.07 -0.67 0.00 0.00 178.83 178.76 2hiv h LEU 494 N 0.87 0.09 -1.06 1.46 3.38 -0.64 -2.37 115.31 117.04 2hiv h LEU 494 Ca 0.33 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.27 2hiv h LEU 494 Cb 0.12 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2hiv h LEU 494 CO -0.15 0.09 -0.09 0.44 0.09 0.00 0.00 178.44 178.81 2hiv h ASP 495 N 0.24 0.54 0.68 -0.43 3.45 -0.83 -2.61 116.42 117.47 2hiv h ASP 495 Ca 0.16 -0.14 -0.04 0.00 0.43 0.00 0.00 57.03 57.45 2hiv h ASP 495 Cb 0.15 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 38.77 2hiv h ASP 495 CO -0.18 0.67 -0.17 -0.33 -1.57 0.00 0.00 179.24 177.66 2hiv h GLU 496 N 0.52 0.00 -0.57 3.56 5.08 -0.77 -3.27 114.58 119.12 2hiv h GLU 496 Ca 0.10 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 2hiv h GLU 496 Cb 0.48 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 2hiv h GLU 496 CO 0.03 0.17 0.35 -0.07 -1.00 0.00 0.00 179.01 178.49 2hiv h LEU 497 N 0.00 0.57 0.12 1.33 3.38 -1.02 -2.06 115.31 117.62 2hiv h LEU 497 Ca -0.00 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.98 2hiv h LEU 497 Cb 0.56 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 2hiv h LEU 497 CO 0.02 0.41 -0.50 -0.61 0.09 0.00 0.00 178.44 177.85 2hiv h GLN 498 N 0.69 -0.70 -0.20 1.13 5.75 -1.70 0.64 115.11 120.72 2hiv h GLN 498 Ca 0.22 0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.76 2hiv h GLN 498 Cb 0.00 0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.70 2hiv h GLN 498 CO -0.09 -0.47 0.08 -0.22 -2.65 0.00 0.00 178.83 175.49 2hiv h LYS 499 N -0.73 0.30 -0.35 1.69 3.64 -1.75 0.17 116.57 119.55 2hiv h LYS 499 Ca 0.00 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.40 2hiv h LYS 499 Cb 0.74 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.44 2hiv h LYS 499 CO -0.28 0.36 -0.10 -0.22 -2.27 0.00 0.00 179.45 176.95 2hiv h LYS 500 N 0.17 -0.01 0.12 1.90 3.64 -1.12 -1.39 116.57 119.88 2hiv h LYS 500 Ca 0.07 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.17 2hiv h LYS 500 Cb 0.17 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2hiv h LYS 500 CO -0.01 -0.01 -1.22 -0.07 -2.27 0.00 0.00 179.45 175.87 2hiv h LEU 501 N -0.01 0.55 -1.42 5.20 4.07 -0.79 -3.27 115.31 119.63 2hiv h LEU 501 Ca 0.17 -0.55 -0.01 0.00 0.08 0.00 0.00 57.88 57.57 2hiv h LEU 501 Cb 0.27 -0.18 -0.03 0.00 1.08 0.00 0.00 40.66 41.81 2hiv h LEU 501 CO -0.37 1.41 0.29 0.24 -1.08 0.00 0.00 178.44 178.93 2hiv h MET 502 N 0.13 0.68 -0.19 1.13 2.86 -0.31 -1.40 114.93 117.83 2hiv h MET 502 Ca -0.15 -0.06 0.06 0.00 -2.06 0.00 0.00 59.70 57.49 2hiv h MET 502 Cb 1.93 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 33.43 2hiv h MET 502 CO 0.21 0.49 0.14 0.93 1.06 0.00 0.00 176.91 179.74 2hiv h GLU 503 N 0.69 0.00 0.00 1.72 5.08 -1.31 -2.62 114.58 118.14 2hiv h GLU 503 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2hiv h GLU 503 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2hiv h GLU 503 CO -0.03 0.00 -0.01 0.44 -1.00 0.00 0.00 179.01 178.41 2hiv n ILE 504 N -4.42 1.55 -1.74 3.13 -5.35 -0.67 -5.02 119.36 106.83 2hiv n ILE 504 Ca 0.02 -1.80 -0.42 0.00 -0.27 0.00 0.00 62.75 60.28 2hiv n ILE 504 Cb 0.28 0.02 -0.00 0.00 -1.74 0.00 0.00 39.64 38.20 2hiv n ILE 504 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2hiv n LYS 505 N -1.10 2.48 -4.29 6.28 4.81 -0.62 -1.16 118.16 124.57 2hiv n LYS 505 Ca 0.10 0.87 -0.19 0.00 -0.87 0.00 0.00 58.31 58.23 2hiv n LYS 505 Cb 0.51 -2.56 -0.13 0.00 0.02 0.00 0.00 35.03 32.87 2hiv n LYS 505 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 2hiv s ARG 506 N -1.83 0.85 0.34 1.64 1.70 -0.21 -4.82 118.95 116.61 2hiv s ARG 506 Ca 0.55 -0.74 0.12 0.00 -0.47 0.00 0.00 55.73 55.20 2hiv s ARG 506 Cb -0.51 -0.83 0.59 0.00 -0.57 0.00 0.00 34.95 33.63 2hiv s ARG 506 CO 0.62 0.20 1.74 -0.44 -1.08 0.00 0.00 175.30 176.34 2hiv h ASP 507 N 4.89 0.00 -4.25 -2.89 3.32 -1.96 -3.35 116.42 112.19 2hiv h ASP 507 Ca -0.37 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.18 2hiv h ASP 507 Cb 1.18 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.52 2hiv h ASP 507 CO 0.44 0.46 -0.80 0.68 -1.72 0.00 0.00 179.24 178.30 2hiv s VAL 508 N -3.93 1.48 0.04 -1.35 -7.23 -1.26 -4.93 120.40 103.22 2hiv s VAL 508 Ca -0.02 -1.49 -0.38 0.00 -1.81 0.00 0.00 61.98 58.28 2hiv s VAL 508 Cb 0.13 -1.40 -0.19 0.00 0.56 0.00 0.00 36.38 35.49 2hiv s VAL 508 CO 0.73 -0.16 1.06 1.17 -0.31 0.00 0.00 175.10 177.60 2hiv n LYS 509 N 1.08 0.20 -1.79 4.82 4.81 -1.26 -4.87 118.16 121.15 2hiv n LYS 509 Ca -0.20 0.07 -0.42 0.00 -0.87 0.00 0.00 58.31 56.90 2hiv n LYS 509 Cb 0.54 -1.55 -0.02 0.00 0.02 0.00 0.00 35.03 34.02 2hiv n LYS 509 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 2hiv s HIS 510 N -0.03 2.85 0.65 5.64 5.65 -1.26 -4.88 115.29 123.91 2hiv s HIS 510 Ca 0.87 0.62 0.41 0.00 0.25 0.00 0.00 55.06 57.21 2hiv s HIS 510 Cb -1.18 -4.07 2.24 0.00 -1.18 0.00 0.00 32.58 28.38 2hiv s HIS 510 CO 0.55 -3.79 2.26 -1.00 -0.65 0.00 0.00 174.74 172.11 2hiv h PRO 511 N 5.76 0.00 -0.00 2.88 0.13 -1.99 -0.09 132.00 138.69 2hiv h PRO 511 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2hiv h PRO 511 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2hiv h PRO 511 CO 0.86 0.00 -0.23 0.54 -0.23 0.00 0.00 178.00 178.94 2hiv n ARG 512 N -3.02 0.59 -3.51 0.86 1.74 -1.26 -4.84 116.66 107.22 2hiv n ARG 512 Ca -0.03 -0.29 -0.37 0.00 -0.77 0.00 0.00 57.85 56.40 2hiv n ARG 512 Cb 0.14 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 30.01 2hiv n ARG 512 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2hiv s VAL 513 N -2.61 5.28 -0.34 1.55 -7.23 -0.05 0.55 120.40 117.55 2hiv s VAL 513 Ca 0.23 0.54 -0.02 0.00 -1.81 0.00 0.00 61.98 60.92 2hiv s VAL 513 Cb 0.19 -3.64 0.07 0.00 0.56 0.00 0.00 36.38 33.56 2hiv s VAL 513 CO 0.54 0.34 0.08 0.21 -0.31 0.00 0.00 175.10 175.95 2hiv s ASN 514 N 0.74 5.05 -0.10 4.85 2.47 0.25 -4.80 114.94 123.40 2hiv s ASN 514 Ca 0.16 -1.56 -0.06 0.00 0.42 0.00 0.00 52.86 51.82 2hiv s ASN 514 Cb -0.14 -1.76 0.04 0.00 -1.45 0.00 0.00 41.25 37.94 2hiv s ASN 514 CO 0.05 -0.37 0.23 -0.55 -3.72 0.00 0.00 177.10 172.74 2hiv s SER 515 N 1.45 -0.24 0.13 -4.21 0.15 -1.26 -1.95 113.70 107.76 2hiv s SER 515 Ca 0.00 0.48 0.08 0.00 0.70 0.00 0.00 55.95 57.22 2hiv s SER 515 Cb -0.21 0.41 -0.18 0.00 -1.71 0.00 0.00 66.02 64.33 2hiv s SER 515 CO -0.02 -0.14 1.27 0.11 1.20 0.00 0.00 173.24 175.66 2hiv h LYS 516 N 6.76 0.00 -6.46 5.44 1.57 -1.95 -3.45 116.57 118.48 2hiv h LYS 516 Ca -0.36 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.88 2hiv h LYS 516 Cb 1.17 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 2hiv h LYS 516 CO 0.38 0.91 0.56 1.41 -0.57 0.00 0.00 179.45 182.14 2hiv s MET 517 N -2.74 4.43 -0.39 3.15 1.75 -1.25 -5.01 119.30 119.24 2hiv s MET 517 Ca 0.01 1.74 -0.15 0.00 -1.25 0.00 0.00 55.69 56.04 2hiv s MET 517 Cb 0.10 -3.38 0.01 0.00 2.84 0.00 0.00 34.83 34.40 2hiv s MET 517 CO 0.81 -0.26 0.32 -2.00 -0.65 0.00 0.00 175.02 173.23 2hiv s GLU 518 N 1.19 3.17 0.96 4.11 2.56 -1.26 -5.08 118.70 124.35 2hiv s GLU 518 Ca 0.58 -0.83 -0.13 0.00 0.00 0.00 0.00 54.97 54.59 2hiv s GLU 518 Cb -0.28 -3.92 0.17 0.00 2.00 0.00 0.00 34.13 32.09 2hiv s GLU 518 CO 0.28 -0.68 1.14 -1.25 -0.56 0.00 0.00 175.26 174.19 2hiv s PRO 519 N 1.81 0.73 0.17 4.30 0.04 -1.26 -4.97 135.00 135.82 2hiv s PRO 519 Ca 0.07 0.25 -0.01 0.00 0.04 0.00 0.00 61.00 61.35 2hiv s PRO 519 Cb -0.18 -1.80 0.04 0.00 0.04 0.00 0.00 34.50 32.60 2hiv s PRO 519 CO 0.11 -2.47 1.42 -0.44 0.04 0.00 0.00 177.00 175.66 2hiv h ASP 520 N -1.69 0.45 -4.01 6.66 3.32 -0.98 -3.43 116.42 116.73 2hiv h ASP 520 Ca -0.50 -0.31 -0.44 0.00 0.02 0.00 0.00 57.03 55.79 2hiv h ASP 520 Cb 1.32 -0.13 -0.30 0.00 0.22 0.00 0.00 39.33 40.44 2hiv h ASP 520 CO 0.57 1.06 -0.80 0.27 -1.72 0.00 0.00 179.24 178.62 2hiv s ILE 521 N -3.52 0.91 0.37 0.35 -4.36 -0.76 -5.01 121.20 109.18 2hiv s ILE 521 Ca -0.05 -0.47 -0.07 0.00 -0.26 0.00 0.00 60.65 59.80 2hiv s ILE 521 Cb 0.10 -0.78 -0.05 0.00 1.25 0.00 0.00 42.46 42.99 2hiv s ILE 521 CO 0.84 0.27 0.68 0.26 0.24 0.00 0.00 174.94 177.22 2hiv s TRP 522 N -0.10 3.49 0.02 1.37 0.52 -1.26 -1.10 118.94 121.88 2hiv s TRP 522 Ca 0.02 0.79 0.00 0.00 0.02 0.00 0.00 56.10 56.93 2hiv s TRP 522 Cb -0.06 -2.25 -0.02 0.00 -1.15 0.00 0.00 33.47 30.00 2hiv s TRP 522 CO 0.00 -0.02 -0.02 0.54 0.02 0.00 0.00 176.95 177.47 2hiv s VAL 523 N -2.33 0.09 0.26 4.03 0.11 -0.61 -1.04 120.40 120.89 2hiv s VAL 523 Ca 0.47 -0.70 -0.31 0.00 -2.93 0.00 0.00 61.98 58.51 2hiv s VAL 523 Cb -0.10 -0.20 -0.13 0.00 -1.53 0.00 0.00 36.38 34.42 2hiv s VAL 523 CO 0.34 -0.39 1.50 -0.62 -3.33 0.00 0.00 175.10 172.61 2hiv n GLU 524 N 1.93 2.35 -2.28 1.54 -0.58 -0.31 -4.63 120.64 118.67 2hiv n GLU 524 Ca -0.21 0.84 -0.39 0.00 -0.42 0.00 0.00 57.16 56.98 2hiv n GLU 524 Cb 0.56 -2.56 -0.03 0.00 -0.57 0.00 0.00 31.44 28.84 2hiv n GLU 524 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2hiv s PRO 525 N -0.36 2.91 0.00 3.49 0.04 -1.26 -4.55 135.00 135.27 2hiv s PRO 525 Ca 0.67 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.77 2hiv s PRO 525 Cb -0.58 -4.45 0.00 0.00 0.04 0.00 0.00 34.50 29.51 2hiv s PRO 525 CO 0.48 -2.53 0.00 0.28 0.04 0.00 0.00 177.00 175.27 2hiv n VAL 526 N 6.93 0.00 -3.61 -0.36 0.31 -1.26 -4.81 118.33 115.53 2hiv n VAL 526 Ca 0.17 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 64.13 2hiv n VAL 526 Cb 0.50 -0.75 -0.06 0.00 -0.91 0.00 0.00 33.84 32.63 2hiv n VAL 526 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 2hiv s TYR 527 N -1.89 3.65 -0.08 3.52 4.12 -1.26 -4.26 117.35 121.13 2hiv s TYR 527 Ca 0.00 0.81 0.04 0.00 0.02 0.00 0.00 57.07 57.94 2hiv s TYR 527 Cb 0.00 -2.16 -0.01 0.00 -1.52 0.00 0.00 41.96 38.27 2hiv s TYR 527 CO 0.00 0.62 -0.21 0.08 0.02 0.00 0.00 175.55 176.06 2hiv s VAL 528 N -1.20 2.40 -0.00 0.71 1.01 -1.26 -0.75 120.40 121.30 2hiv s VAL 528 Ca 0.26 -0.92 0.06 0.00 0.00 0.00 0.00 61.98 61.37 2hiv s VAL 528 Cb -0.15 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 2hiv s VAL 528 CO 0.14 0.56 -0.19 0.00 0.00 0.00 0.00 175.10 175.61 2hiv s ALA 529 N 0.03 1.56 -0.13 5.51 0.00 0.39 -0.03 121.76 129.09 2hiv s ALA 529 Ca -0.08 -0.84 -0.29 0.00 0.00 0.00 0.00 51.96 50.75 2hiv s ALA 529 Cb -0.15 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 2hiv s ALA 529 CO 0.05 0.38 1.02 -2.00 0.00 0.00 0.00 175.76 175.21 2hiv s GLU 530 N -0.57 4.39 -0.01 0.00 2.12 0.28 -0.65 118.70 124.25 2hiv s GLU 530 Ca 0.07 1.40 0.05 0.00 0.36 0.00 0.00 54.97 56.85 2hiv s GLU 530 Cb -0.07 -3.56 -0.01 0.00 0.26 0.00 0.00 34.13 30.74 2hiv s GLU 530 CO -0.00 -0.39 -0.16 0.42 -0.54 0.00 0.00 175.26 174.59 2hiv s ILE 531 N 2.28 1.24 0.11 -3.70 -1.09 0.13 0.36 121.20 120.53 2hiv s ILE 531 Ca 0.48 -0.67 0.10 0.00 -2.23 0.00 0.00 60.65 58.33 2hiv s ILE 531 Cb -0.18 -1.03 -0.04 0.00 -1.58 0.00 0.00 42.46 39.63 2hiv s ILE 531 CO 0.16 0.35 -0.26 -0.51 -1.23 0.00 0.00 174.94 173.44 2hiv s ILE 532 N -0.36 2.26 0.26 2.92 2.07 -0.18 -0.06 121.20 128.11 2hiv s ILE 532 Ca 0.06 -1.66 -0.04 0.00 -1.41 0.00 0.00 60.65 57.60 2hiv s ILE 532 Cb -0.06 -1.98 -0.02 0.00 0.13 0.00 0.00 42.46 40.53 2hiv s ILE 532 CO -0.01 0.15 0.33 -0.83 -1.91 0.00 0.00 174.94 172.67 2hiv s GLY 533 N -1.87 1.31 0.20 1.50 0.00 -0.81 0.49 107.32 108.14 2hiv s GLY 533 Ca 0.14 -1.48 0.04 0.00 0.00 0.00 0.00 44.72 43.42 2hiv s GLY 533 CO 0.05 -1.10 1.47 1.48 0.00 0.00 0.00 173.10 175.00 2hiv h SER 534 N 2.34 0.21 -5.24 1.64 4.64 -1.57 -2.76 113.55 112.82 2hiv h SER 534 Ca -0.30 -0.15 0.26 0.00 -0.47 0.00 0.00 61.79 61.13 2hiv h SER 534 Cb 1.25 -0.06 -0.13 0.00 -0.31 0.00 0.00 62.40 63.14 2hiv h SER 534 CO 0.43 0.88 0.72 -1.83 -0.87 0.00 0.00 176.83 176.16 2hiv s GLU 535 N -3.43 0.58 -0.18 4.77 -1.05 -1.26 -3.39 118.70 114.74 2hiv s GLU 535 Ca -0.03 -0.30 -0.09 0.00 -0.15 0.00 0.00 54.97 54.40 2hiv s GLU 535 Cb 0.11 0.22 -0.05 0.00 -0.44 0.00 0.00 34.13 33.97 2hiv s GLU 535 CO 0.81 -0.26 0.12 0.42 0.95 0.00 0.00 175.26 177.30 2hiv s ILE 536 N -2.67 5.35 0.18 1.83 1.01 -1.26 -0.87 121.20 124.77 2hiv s ILE 536 Ca 0.12 0.17 0.08 0.00 0.00 0.00 0.00 60.65 61.02 2hiv s ILE 536 Cb 0.02 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 2hiv s ILE 536 CO -0.03 0.48 -0.17 0.42 0.00 0.00 0.00 174.94 175.64 2hiv s THR 537 N 0.08 1.76 0.01 2.92 -4.23 0.17 -4.92 115.64 111.44 2hiv s THR 537 Ca 0.09 -2.01 -0.30 0.00 -1.18 0.00 0.00 61.69 58.29 2hiv s THR 537 Cb -0.11 -1.89 -0.05 0.00 1.34 0.00 0.00 72.50 71.78 2hiv s THR 537 CO -0.01 -0.42 1.35 -0.63 -0.54 0.00 0.00 174.62 174.38 2hiv s ILE 538 N -2.37 3.79 -0.07 2.99 1.01 -1.26 0.71 121.20 126.00 2hiv s ILE 538 Ca 0.18 1.19 0.00 0.00 0.00 0.00 0.00 60.65 62.02 2hiv s ILE 538 Cb -0.04 -3.76 0.02 0.00 0.01 0.00 0.00 42.46 38.69 2hiv s ILE 538 CO 0.07 0.01 -0.06 -0.55 0.00 0.00 0.00 174.94 174.41 2hiv s SER 539 N 1.68 1.52 0.47 3.58 0.15 -0.25 -4.85 113.70 116.00 2hiv s SER 539 Ca 0.62 -0.19 0.31 0.00 0.70 0.00 0.00 55.95 57.40 2hiv s SER 539 Cb -0.31 -0.60 1.37 0.00 -1.71 0.00 0.00 66.02 64.77 2hiv s SER 539 CO 0.26 -0.08 1.94 -0.65 1.20 0.00 0.00 173.24 175.90 2hiv h PRO 540 N 7.63 0.00 0.00 5.44 0.11 -1.84 0.29 132.00 143.62 2hiv h PRO 540 Ca -0.31 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.74 2hiv h PRO 540 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2hiv h PRO 540 CO 0.41 0.00 -0.55 -0.07 -0.21 0.00 0.00 178.00 177.58 2hiv h LEU 541 N 0.00 0.00 -9.30 2.35 3.38 -1.94 -3.44 115.31 106.36 2hiv h LEU 541 Ca 0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 2hiv h LEU 541 Cb 0.38 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.99 2hiv h LEU 541 CO 0.00 0.29 -0.73 -1.00 0.09 0.00 0.00 178.44 177.09 2hiv s HIS 542 N -3.09 2.66 -0.94 1.13 3.76 -1.18 -3.89 115.29 113.74 2hiv s HIS 542 Ca 0.03 -0.21 0.18 0.00 -0.15 0.00 0.00 55.06 54.92 2hiv s HIS 542 Cb 0.07 -1.32 -0.18 0.00 1.11 0.00 0.00 32.58 32.26 2hiv s HIS 542 CO 0.74 0.49 0.79 0.25 -0.85 0.00 0.00 174.74 176.15 2hiv n THR 543 N 0.22 0.00 -1.67 1.30 -2.24 -1.05 -1.61 114.28 109.24 2hiv n THR 543 Ca -0.12 -0.09 -0.47 0.00 -2.27 0.00 0.00 64.05 61.10 2hiv n THR 543 Cb 0.55 1.02 -0.04 0.00 -2.10 0.00 0.00 70.33 69.75 2hiv n THR 543 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hiv n GLN 546 N -4.19 0.26 -0.44 0.00 -0.06 0.04 -1.22 117.38 111.78 2hiv n GLN 546 Ca -0.01 0.09 0.00 0.00 -2.00 0.00 0.00 57.00 55.09 2hiv n GLN 546 Cb 0.55 -1.63 0.00 0.00 -4.06 0.00 0.00 30.24 25.09 2hiv n GLN 546 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 2hiv n ASP 547 N 3.93 0.00 -0.06 1.69 8.00 0.32 -4.87 116.55 125.55 2hiv n ASP 547 Ca 0.28 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.67 2hiv n ASP 547 Cb 0.00 -0.98 -0.05 0.00 -0.02 0.00 0.00 41.12 40.07 2hiv n ASP 547 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2hiv h VAL 548 N 0.00 1.24 0.00 2.53 2.07 -1.39 -3.38 116.25 117.32 2hiv h VAL 548 Ca 0.00 -0.78 -0.37 0.00 0.82 0.00 0.00 66.70 66.37 2hiv h VAL 548 Cb 0.00 1.37 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 2hiv h VAL 548 CO 0.00 0.24 -2.39 0.55 0.02 0.00 0.00 177.57 175.99 2hiv n VAL 549 N -4.73 1.40 -4.16 2.57 3.14 -1.26 -4.98 118.33 110.31 2hiv n VAL 549 Ca -0.04 -0.59 -0.17 0.00 -2.96 0.00 0.00 64.34 60.58 2hiv n VAL 549 Cb 0.20 -1.22 -0.15 0.00 -1.06 0.00 0.00 33.84 31.61 2hiv n VAL 549 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 2hiv s GLU 550 N -2.49 0.54 0.43 1.45 2.12 -1.26 -5.14 118.70 114.35 2hiv s GLU 550 Ca -0.29 -0.16 -0.24 0.00 0.36 0.00 0.00 54.97 54.64 2hiv s GLU 550 Cb 0.08 -0.55 -0.08 0.00 0.26 0.00 0.00 34.13 33.84 2hiv s GLU 550 CO 0.61 0.05 1.22 0.15 -0.54 0.00 0.00 175.26 176.75 2hiv s LYS 551 N 0.22 3.87 -1.78 4.30 -0.14 -1.26 -2.76 119.74 122.19 2hiv s LYS 551 Ca -0.02 1.93 0.00 0.00 -1.36 0.00 0.00 55.97 56.52 2hiv s LYS 551 Cb -0.06 -2.59 0.00 0.00 -1.68 0.00 0.00 37.83 33.50 2hiv s LYS 551 CO -0.00 -0.50 0.00 -0.25 -0.76 0.00 0.00 175.35 173.84 2hiv n ASP 552 N -0.16 -5.08 -3.79 2.83 8.00 -1.26 -4.94 116.55 112.15 2hiv n ASP 552 Ca 0.05 0.36 -0.13 0.00 0.71 0.00 0.00 54.79 55.79 2hiv n ASP 552 Cb 0.46 -4.10 -0.09 0.00 -0.02 0.00 0.00 41.12 37.37 2hiv n ASP 552 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hiv s ALA 553 N -2.67 -0.67 0.00 2.24 0.00 -1.11 -4.47 121.76 115.07 2hiv s ALA 553 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.19 2hiv s ALA 553 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.19 2hiv s ALA 553 CO 0.00 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 175.93 2hiv n GLY 554 N 1.36 3.60 3.44 0.00 0.00 1.00 -0.52 105.19 114.06 2hiv n GLY 554 Ca -0.22 -1.94 -0.30 0.00 0.00 0.00 0.00 46.02 43.57 2hiv n GLY 554 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hiv s LEU 555 N 0.00 2.53 0.23 0.99 1.43 0.16 -1.09 118.68 122.93 2hiv s LEU 555 Ca 0.00 -0.59 0.02 0.00 -1.03 0.00 0.00 54.13 52.53 2hiv s LEU 555 Cb 0.00 -1.43 -0.05 0.00 0.03 0.00 0.00 46.19 44.74 2hiv s LEU 555 CO 0.00 0.20 0.05 -0.55 0.23 0.00 0.00 176.35 176.28 2hiv s SER 556 N -1.90 1.36 -0.24 2.29 0.15 0.22 -4.28 113.70 111.30 2hiv s SER 556 Ca 0.16 -1.29 -0.07 0.00 0.70 0.00 0.00 55.95 55.45 2hiv s SER 556 Cb -0.10 0.11 -0.03 0.00 -1.71 0.00 0.00 66.02 64.29 2hiv s SER 556 CO 0.07 -0.63 0.07 -0.63 1.20 0.00 0.00 173.24 173.32 2hiv s ILE 557 N -3.64 4.41 0.12 6.45 1.01 -0.99 -0.65 121.20 127.90 2hiv s ILE 557 Ca 0.32 -0.14 -0.30 0.00 0.00 0.00 0.00 60.65 60.53 2hiv s ILE 557 Cb 0.07 -3.05 -0.06 0.00 0.01 0.00 0.00 42.46 39.43 2hiv s ILE 557 CO 0.10 0.35 0.96 -0.60 0.00 0.00 0.00 174.94 175.74 2hiv s ARG 558 N 1.47 4.70 -1.25 2.79 3.52 -0.04 -3.94 118.95 126.20 2hiv s ARG 558 Ca 0.06 1.45 -0.11 0.00 -0.13 0.00 0.00 55.73 57.00 2hiv s ARG 558 Cb -0.15 -3.37 -0.01 0.00 -1.56 0.00 0.00 34.95 29.86 2hiv s ARG 558 CO 0.04 0.23 0.66 1.19 -0.81 0.00 0.00 175.30 176.61 2hiv n PHE 559 N 2.71 -1.83 -2.22 5.12 0.99 -1.26 -1.89 117.46 119.08 2hiv n PHE 559 Ca 0.02 0.61 -0.38 0.00 -0.00 0.00 0.00 57.45 57.70 2hiv n PHE 559 Cb 0.49 -3.70 -0.01 0.00 -1.00 0.00 0.00 39.48 35.26 2hiv n PHE 559 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 2hiv s PRO 560 N -6.14 3.85 -0.04 -1.08 0.04 -1.25 -4.35 135.00 126.03 2hiv s PRO 560 Ca 0.25 1.86 0.03 0.00 0.04 0.00 0.00 61.00 63.18 2hiv s PRO 560 Cb -0.09 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.93 2hiv s PRO 560 CO 0.86 -0.50 -0.12 1.03 0.04 0.00 0.00 177.00 178.32 2hiv s ARG 561 N -2.52 1.31 0.19 4.56 0.52 0.18 -4.34 118.95 118.86 2hiv s ARG 561 Ca 0.61 -0.41 -0.30 0.00 -0.52 0.00 0.00 55.73 55.11 2hiv s ARG 561 Cb -0.31 -1.17 -0.09 0.00 0.52 0.00 0.00 34.95 33.90 2hiv s ARG 561 CO 0.38 0.14 1.32 0.12 0.02 0.00 0.00 175.30 177.28 2hiv s PHE 562 N 0.24 3.24 -0.15 -0.53 5.36 0.12 -1.01 117.98 125.25 2hiv s PHE 562 Ca -0.05 1.19 -0.14 0.00 -0.96 0.00 0.00 56.93 56.96 2hiv s PHE 562 Cb -0.11 -3.62 -0.06 0.00 -0.34 0.00 0.00 43.02 38.89 2hiv s PHE 562 CO 0.01 -1.96 -0.29 -0.89 -1.46 0.00 0.00 175.22 170.63 2hiv n ILE 563 N 2.74 1.42 -3.54 3.12 2.08 0.16 -4.35 119.36 120.98 2hiv n ILE 563 Ca 0.07 0.09 -0.10 0.00 0.56 0.00 0.00 62.75 63.37 2hiv n ILE 563 Cb 0.43 -2.14 -0.02 0.00 -0.75 0.00 0.00 39.64 37.16 2hiv n ILE 563 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2hiv s ARG 564 N -2.69 1.25 0.40 0.38 1.70 -1.15 -4.85 118.95 113.99 2hiv s ARG 564 Ca -0.26 -0.53 -0.23 0.00 -0.47 0.00 0.00 55.73 54.24 2hiv s ARG 564 Cb 0.05 0.53 -0.10 0.00 -0.57 0.00 0.00 34.95 34.85 2hiv s ARG 564 CO 0.37 -0.55 0.96 -1.58 -1.08 0.00 0.00 175.30 173.42 2hiv s TRP 565 N -3.59 3.40 -0.89 5.89 0.52 -1.26 -0.56 118.94 122.46 2hiv s TRP 565 Ca 0.05 1.67 -0.03 0.00 0.02 0.00 0.00 56.10 57.80 2hiv s TRP 565 Cb -0.02 -2.92 0.22 0.00 -1.15 0.00 0.00 33.47 29.61 2hiv s TRP 565 CO -0.07 -0.11 0.78 1.03 0.02 0.00 0.00 176.95 178.60 2hiv s ARG 566 N -2.76 3.32 0.55 4.98 1.81 0.96 -4.79 118.95 123.02 2hiv s ARG 566 Ca 0.58 -3.18 0.37 0.00 -1.72 0.00 0.00 55.73 51.78 2hiv s ARG 566 Cb -0.14 -4.01 1.88 0.00 -0.45 0.00 0.00 34.95 32.23 2hiv s ARG 566 CO 0.18 -1.25 2.12 -0.44 -0.68 0.00 0.00 175.30 175.22 2hiv h ASP 567 N 6.23 0.00 -0.44 0.23 3.32 -1.95 -2.47 116.42 121.34 2hiv h ASP 567 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2hiv h ASP 567 Cb 0.84 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.39 2hiv h ASP 567 CO 0.85 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.47 2hiv n ASP 568 N -2.87 2.45 -4.15 6.45 5.75 -1.26 -4.84 116.55 118.09 2hiv n ASP 568 Ca -0.02 -1.98 -0.27 0.00 -0.01 0.00 0.00 54.79 52.52 2hiv n ASP 568 Cb 0.13 -0.29 -0.16 0.00 -1.03 0.00 0.00 41.12 39.76 2hiv n ASP 568 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2hiv s LYS 569 N -1.41 1.93 0.57 0.11 1.02 -0.93 -5.13 119.74 115.90 2hiv s LYS 569 Ca 0.31 -0.64 -0.07 0.00 0.02 0.00 0.00 55.97 55.59 2hiv s LYS 569 Cb 0.16 -1.65 -0.02 0.00 -0.52 0.00 0.00 37.83 35.81 2hiv s LYS 569 CO 0.22 0.24 0.91 -1.54 -0.92 0.00 0.00 175.35 174.25 2hiv s SER 570 N 0.08 5.95 0.51 2.83 1.04 -1.26 -4.64 113.70 118.20 2hiv s SER 570 Ca -0.05 0.98 0.19 0.00 0.48 0.00 0.00 55.95 57.54 2hiv s SER 570 Cb -0.12 -2.08 1.29 0.00 0.10 0.00 0.00 66.02 65.20 2hiv s SER 570 CO 0.03 -0.88 2.11 -0.65 0.98 0.00 0.00 173.24 174.83 2hiv h PRO 571 N -0.11 0.00 0.00 4.02 0.11 -1.87 0.62 132.00 134.76 2hiv h PRO 571 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2hiv h PRO 571 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2hiv h PRO 571 CO 0.62 0.08 0.00 0.39 -0.21 0.00 0.00 178.00 178.87 2hiv n GLU 572 N -4.26 0.09 0.00 1.05 4.71 -1.26 -2.19 120.64 118.78 2hiv n GLU 572 Ca -0.03 0.10 0.14 0.00 -0.01 0.00 0.00 57.16 57.36 2hiv n GLU 572 Cb 0.16 -1.50 0.56 0.00 -1.01 0.00 0.00 31.44 29.65 2hiv n GLU 572 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 2hiv n ASP 573 N -1.44 1.23 -4.64 1.62 8.00 0.21 -4.96 116.55 116.57 2hiv n ASP 573 Ca 0.07 -1.34 -0.30 0.00 0.71 0.00 0.00 54.79 53.94 2hiv n ASP 573 Cb 0.24 0.01 0.18 0.00 -0.02 0.00 0.00 41.12 41.53 2hiv n ASP 573 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hiv s ALA 574 N -2.07 0.91 0.23 2.24 0.00 -0.93 -4.92 121.76 117.22 2hiv s ALA 574 Ca 0.37 0.09 -0.32 0.00 0.00 0.00 0.00 51.96 52.10 2hiv s ALA 574 Cb 0.21 -3.27 -0.13 0.00 0.00 0.00 0.00 23.12 19.92 2hiv s ALA 574 CO 0.36 -2.91 1.54 2.41 0.00 0.00 0.00 175.76 177.16 2hiv n THR 575 N -4.29 0.57 -2.59 0.00 -1.04 0.22 -4.64 114.28 102.52 2hiv n THR 575 Ca 0.07 -0.14 -0.28 0.00 -2.04 0.00 0.00 64.05 61.66 2hiv n THR 575 Cb 0.54 -1.67 -0.00 0.00 -1.82 0.00 0.00 70.33 67.38 2hiv n THR 575 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2hiv s THR 576 N 0.39 4.87 0.29 12.58 -4.23 -1.26 -0.98 115.64 127.31 2hiv s THR 576 Ca 0.71 0.32 0.01 0.00 -1.18 0.00 0.00 61.69 61.55 2hiv s THR 576 Cb -0.60 -3.85 0.28 0.00 1.34 0.00 0.00 72.50 69.67 2hiv s THR 576 CO 0.44 -0.84 1.87 0.71 -0.54 0.00 0.00 174.62 176.26 2hiv h THR 577 N 0.28 1.00 -0.67 3.99 1.35 -1.38 -0.05 112.91 117.44 2hiv h THR 577 Ca -0.47 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 2hiv h THR 577 Cb 1.20 -0.12 -0.03 0.00 -1.73 0.00 0.00 68.15 67.47 2hiv h THR 577 CO 0.62 0.19 0.43 0.44 -0.25 0.00 0.00 175.52 176.94 2hiv h ASP 578 N 1.03 0.78 -0.49 5.36 3.32 -1.94 0.51 116.42 125.00 2hiv h ASP 578 Ca 0.45 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.39 2hiv h ASP 578 Cb 0.34 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 2hiv h ASP 578 CO -0.20 0.58 0.04 -0.33 -1.72 0.00 0.00 179.24 177.62 2hiv h GLU 579 N 0.91 0.89 0.03 3.56 5.08 -1.70 -0.12 114.58 123.22 2hiv h GLU 579 Ca 0.24 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2hiv h GLU 579 Cb -0.07 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 2hiv h GLU 579 CO -0.05 0.85 -0.05 0.82 -1.00 0.00 0.00 179.01 179.59 2hiv h ILE 580 N 0.83 0.89 -0.60 3.13 1.08 -0.04 -1.57 117.51 121.23 2hiv h ILE 580 Ca 0.16 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.70 2hiv h ILE 580 Cb 0.43 0.89 -0.06 0.00 -3.07 0.00 0.00 36.82 35.01 2hiv h ILE 580 CO 0.02 0.00 0.29 0.25 -0.69 0.00 0.00 178.15 178.02 2hiv h LEU 581 N -0.10 0.40 -0.52 1.44 6.46 -0.65 -1.30 115.31 121.03 2hiv h LEU 581 Ca 0.01 0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.85 2hiv h LEU 581 Cb 0.11 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 39.97 2hiv h LEU 581 CO -0.03 0.26 0.28 -0.33 -0.62 0.00 0.00 178.44 178.00 2hiv h GLU 582 N 0.54 0.52 -0.32 1.25 5.08 -0.72 0.22 114.58 121.15 2hiv h GLU 582 Ca 0.28 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 2hiv h GLU 582 Cb 0.23 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2hiv h GLU 582 CO -0.21 0.35 0.11 0.52 -1.00 0.00 0.00 179.01 178.78 2hiv h MET 583 N 0.54 0.49 -0.49 2.33 2.86 -0.69 -2.13 114.93 117.84 2hiv h MET 583 Ca 0.23 -0.10 0.03 0.00 -2.06 0.00 0.00 59.70 57.79 2hiv h MET 583 Cb 0.12 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.67 2hiv h MET 583 CO -0.15 0.52 0.28 -0.92 1.06 0.00 0.00 176.91 177.71 2hiv h TYR 584 N 0.37 0.53 0.00 -0.22 3.20 -0.87 -2.61 116.97 117.36 2hiv h TYR 584 Ca 0.11 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2hiv h TYR 584 Cb 0.22 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.33 2hiv h TYR 584 CO 0.00 0.29 0.00 -0.91 -1.64 0.00 0.00 178.16 175.90 2hiv h ASN 585 N 0.56 0.00 1.40 -2.11 2.35 -0.32 -2.24 115.58 115.23 2hiv h ASN 585 Ca 0.20 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.85 2hiv h ASN 585 Cb 0.05 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 2hiv h ASN 585 CO -0.11 0.00 -0.47 0.11 -1.65 0.00 0.00 177.43 175.31 2hiv h LYS 586 N 0.00 0.00 -6.89 0.81 1.57 -1.00 -3.47 116.57 107.59 2hiv h LYS 586 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 2hiv h LYS 586 Cb 0.40 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.78 2hiv h LYS 586 CO 0.00 0.47 0.64 -0.65 -0.57 0.00 0.00 179.45 179.34 2hiv s GLN 587 N -3.07 4.33 0.12 3.15 -0.21 -0.84 -4.91 119.66 118.24 2hiv s GLN 587 Ca 0.03 2.23 -0.35 0.00 0.02 0.00 0.00 55.36 57.29 2hiv s GLN 587 Cb 0.08 -3.06 -0.16 0.00 1.00 0.00 0.00 33.01 30.87 2hiv s GLN 587 CO 0.73 -0.21 1.27 -0.35 -2.12 0.00 0.00 175.29 174.62 2hiv n PRO 588 N 0.76 1.18 -0.14 2.91 -0.04 -1.26 -4.79 135.00 133.61 2hiv n PRO 588 Ca 0.00 0.42 -0.01 0.00 -0.04 0.00 0.00 63.50 63.87 2hiv n PRO 588 Cb 0.42 -2.01 0.01 0.00 -0.04 0.00 0.00 33.50 31.88 2hiv n PRO 588 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2hiv n LYS 589 N 2.22 1.05 0.00 0.54 0.00 -1.26 -5.16 118.16 115.56 2hiv n LYS 589 Ca 0.17 -0.12 0.08 0.00 -0.00 0.00 0.00 58.31 58.44 2hiv n LYS 589 Cb 0.22 -1.05 0.07 0.00 -0.00 0.00 0.00 35.03 34.26 2hiv n LYS 589 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03