#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qr6 s LYS 1024N 0.00 1.60 2.58 3.44 1.02 -1.26 -4.79 119.74 122.32 1qr6 s LYS 1024Ca 0.00 -1.86 0.00 0.00 0.02 0.00 0.00 55.97 54.13 1qr6 s LYS 1024Cb 0.00 -0.97 0.00 0.00 -0.52 0.00 0.00 37.83 36.34 1qr6 s LYS 1024CO 0.00 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.74 1qr6 n GLY 1025N -0.64 -0.07 0.26 -3.33 0.00 0.33 -4.18 105.19 97.57 1qr6 n GLY 1025Ca -0.04 -1.03 0.09 0.00 0.00 0.00 0.00 46.02 45.05 1qr6 n GLY 1025CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1qr6 n LYS 1026N -0.01 -0.06 0.09 1.61 4.81 -1.26 0.10 118.16 123.44 1qr6 n LYS 1026Ca 0.00 1.15 0.19 0.00 -0.87 0.00 0.00 58.31 58.77 1qr6 n LYS 1026Cb 0.00 -1.79 0.74 0.00 0.02 0.00 0.00 35.03 34.00 1qr6 n LYS 1026CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1qr6 h PRO 1027N 0.00 0.00 -0.31 1.64 0.11 -1.97 0.03 132.00 131.50 1qr6 h PRO 1027Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 1qr6 h PRO 1027Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1qr6 h PRO 1027CO -0.73 0.00 0.00 -0.11 -0.21 0.00 0.00 178.00 176.95 1qr6 n LEU 1028N -4.08 0.29 0.00 2.35 7.94 0.12 -2.28 117.00 121.33 1qr6 n LEU 1028Ca 0.06 -0.14 0.00 0.00 -1.11 0.00 0.00 56.01 54.82 1qr6 n LEU 1028Cb 0.51 -0.14 0.00 0.00 0.53 0.00 0.00 43.42 44.32 1qr6 n LEU 1028CO 0.32 0.07 0.00 0.18 -1.11 0.00 0.00 177.39 176.85 1qr6 n LEU 1030N 0.38 0.00 -4.37 -1.96 4.77 -0.00 -2.48 117.00 113.33 1qr6 n LEU 1030Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.61 1qr6 n LEU 1030Cb 0.07 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.03 1qr6 n LEU 1030CO 0.00 0.00 -0.28 0.21 -1.33 0.00 0.00 177.39 175.99 1qr6 s ASN 1031N 0.00 5.08 0.47 -1.43 2.47 -0.97 -4.99 114.94 115.59 1qr6 s ASN 1031Ca 0.00 -0.54 0.24 0.00 0.42 0.00 0.00 52.86 52.98 1qr6 s ASN 1031Cb 0.00 -1.89 1.18 0.00 -1.45 0.00 0.00 41.25 39.09 1qr6 s ASN 1031CO 0.00 -0.14 1.96 -0.65 -3.72 0.00 0.00 177.10 174.55 1qr6 h PRO 1032N 8.23 0.00 0.00 0.43 0.11 -1.81 1.17 132.00 140.14 1qr6 h PRO 1032Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1qr6 h PRO 1032Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1qr6 h PRO 1032CO 0.60 0.19 0.00 0.54 -0.21 0.00 0.00 178.00 179.12 1qr6 n ARG 1033N -3.62 0.15 0.00 1.05 1.74 -1.26 -2.08 116.66 112.64 1qr6 n ARG 1033Ca -0.01 0.31 0.00 0.00 -0.77 0.00 0.00 57.85 57.38 1qr6 n ARG 1033Cb 0.32 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 1qr6 n ARG 1033CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1qr6 n THR 1034N -2.03 0.00 -1.68 0.55 -2.24 -0.82 -4.96 114.28 103.10 1qr6 n THR 1034Ca 0.03 0.00 -0.48 0.00 -2.27 0.00 0.00 64.05 61.33 1qr6 n THR 1034Cb 0.27 -0.63 -0.05 0.00 -2.10 0.00 0.00 70.33 67.82 1qr6 n THR 1034CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1qr6 n ASN 1035N -1.64 3.34 -0.63 3.42 5.15 0.40 -4.81 115.26 120.47 1qr6 n ASN 1035Ca 0.00 1.00 0.08 0.00 -0.60 0.00 0.00 54.58 55.05 1qr6 n ASN 1035Cb 0.34 -1.37 0.07 0.00 -0.53 0.00 0.00 39.78 38.29 1qr6 n ASN 1035CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1qr6 n LYS 1036N 6.04 1.21 0.00 1.20 5.02 -1.26 -4.73 118.16 125.64 1qr6 n LYS 1036Ca 0.22 -1.45 0.00 0.00 -2.02 0.00 0.00 58.31 55.06 1qr6 n LYS 1036Cb 0.29 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 1qr6 n LYS 1036CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qr6 n GLY 1037N 0.89 0.00 3.31 0.72 0.00 -1.26 -3.87 105.19 104.97 1qr6 n GLY 1037Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1qr6 n GLY 1037CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qr6 n ALA 1039N 0.00 0.00 -2.19 4.61 0.00 -1.21 -4.92 120.51 116.80 1qr6 n ALA 1039Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1qr6 n ALA 1039Cb 0.00 -0.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 1qr6 n ALA 1039CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1qr6 s PHE 1040N -0.54 3.26 0.99 0.00 2.99 -1.25 -4.81 117.98 118.63 1qr6 s PHE 1040Ca 0.00 0.99 -0.14 0.00 0.00 0.00 0.00 56.93 57.78 1qr6 s PHE 1040Cb 0.00 -3.65 0.18 0.00 0.00 0.00 0.00 43.02 39.55 1qr6 s PHE 1040CO 0.00 -2.27 1.16 0.95 -0.00 0.00 0.00 175.22 175.06 1qr6 s THR 1041N 1.09 1.92 0.10 0.64 -4.23 -1.26 -4.72 115.64 109.18 1qr6 s THR 1041Ca 0.64 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.96 1qr6 s THR 1041Cb -0.36 -2.72 -0.06 0.00 1.34 0.00 0.00 72.50 70.70 1qr6 s THR 1041CO 0.30 0.00 1.62 0.25 -0.54 0.00 0.00 174.62 176.25 1qr6 h LEU 1042N -1.78 0.39 -0.40 4.79 5.85 -1.98 0.19 115.31 122.36 1qr6 h LEU 1042Ca -0.49 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.07 1qr6 h LEU 1042Cb 1.31 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 1qr6 h LEU 1042CO 0.52 0.48 0.19 1.56 -0.34 0.00 0.00 178.44 180.86 1qr6 h GLN 1043N 0.27 0.39 -0.52 1.25 1.08 -1.98 0.93 115.11 116.52 1qr6 h GLN 1043Ca 0.09 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.22 1qr6 h GLN 1043Cb 0.23 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 1qr6 h GLN 1043CO -0.00 0.25 0.16 0.93 -0.95 0.00 0.00 178.83 179.22 1qr6 h GLU 1044N 0.40 0.82 -0.12 1.46 5.08 -1.85 -3.02 114.58 117.34 1qr6 h GLU 1044Ca 0.17 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1qr6 h GLU 1044Cb 0.09 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1qr6 h GLU 1044CO -0.13 0.75 0.08 0.00 -1.00 0.00 0.00 179.01 178.71 1qr6 h ARG 1045N 0.72 0.15 -0.02 2.33 3.08 -0.18 0.10 114.38 120.57 1qr6 h ARG 1045Ca 0.17 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1qr6 h ARG 1045Cb 0.28 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1qr6 h ARG 1045CO -0.01 0.10 0.00 1.04 -1.07 0.00 0.00 179.97 180.04 1qr6 n GLN 1046N -5.01 0.05 0.00 0.04 6.02 0.28 0.51 117.38 119.27 1qr6 n GLN 1046Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1qr6 n GLN 1046Cb 0.03 -1.01 0.00 0.00 1.02 0.00 0.00 30.24 30.28 1qr6 n GLN 1046CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1qr6 n LEU 1048N -0.07 0.00 -1.66 1.08 7.99 0.35 -4.50 117.00 120.19 1qr6 n LEU 1048Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 56.01 55.92 1qr6 n LEU 1048Cb 0.01 0.00 0.03 0.00 -0.11 0.00 0.00 43.42 43.34 1qr6 n LEU 1048CO 0.00 0.00 0.08 0.61 -1.51 0.00 0.00 177.39 176.57 1qr6 n GLY 1049N 0.00 0.36 0.01 -0.72 0.00 -0.91 0.12 105.19 104.05 1qr6 n GLY 1049Ca 0.00 -0.33 0.03 0.00 0.00 0.00 0.00 46.02 45.72 1qr6 n GLY 1049CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qr6 n LEU 1050N -2.11 0.00 -4.55 0.99 4.77 0.18 -4.18 117.00 112.10 1qr6 n LEU 1050Ca -0.02 0.00 -0.51 0.00 -0.03 0.00 0.00 56.01 55.45 1qr6 n LEU 1050Cb 0.53 0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.59 1qr6 n LEU 1050CO 0.23 0.02 0.65 1.67 -1.33 0.00 0.00 177.39 178.63 1qr6 n GLN 1051N -1.79 0.83 0.00 3.23 -0.06 -0.78 0.82 117.38 119.62 1qr6 n GLN 1051Ca -0.02 0.30 0.00 0.00 -2.00 0.00 0.00 57.00 55.27 1qr6 n GLN 1051Cb 0.23 -1.77 0.00 0.00 -4.06 0.00 0.00 30.24 24.64 1qr6 n GLN 1051CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1qr6 n GLY 1052N 2.01 3.03 0.06 1.69 0.00 -1.26 -4.82 105.19 105.90 1qr6 n GLY 1052Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1qr6 n GLY 1052CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qr6 n LEU 1053N 0.00 0.57 -4.32 0.99 4.77 0.24 -4.85 117.00 114.39 1qr6 n LEU 1053Ca 0.00 0.40 -0.20 0.00 -0.03 0.00 0.00 56.01 56.18 1qr6 n LEU 1053Cb 0.00 -0.31 -0.11 0.00 -2.33 0.00 0.00 43.42 40.67 1qr6 n LEU 1053CO 0.00 -0.07 -0.46 -0.76 -1.33 0.00 0.00 177.39 174.77 1qr6 s LEU 1054N -3.93 2.47 0.91 2.23 1.43 -1.24 -5.13 118.68 115.42 1qr6 s LEU 1054Ca 0.10 -0.91 -0.11 0.00 -1.03 0.00 0.00 54.13 52.19 1qr6 s LEU 1054Cb 0.15 -0.73 0.13 0.00 0.03 0.00 0.00 46.19 45.77 1qr6 s LEU 1054CO 0.63 -0.10 1.09 -2.65 0.23 0.00 0.00 176.35 175.55 1qr6 n PRO 1055N 0.10 -0.39 0.00 1.29 -0.02 -1.26 -4.84 135.00 129.88 1qr6 n PRO 1055Ca -0.12 -0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 1qr6 n PRO 1055Cb 0.58 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1qr6 n PRO 1055CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1qr6 n PRO 1056N -3.96 0.18 -5.21 0.52 -0.02 -1.26 -4.70 135.00 120.55 1qr6 n PRO 1056Ca 0.12 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.29 1qr6 n PRO 1056Cb 0.52 -1.01 -0.17 0.00 -0.02 0.00 0.00 33.50 32.82 1qr6 n PRO 1056CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1qr6 s LYS 1057N -1.90 2.63 -0.20 -0.52 2.20 -1.26 -5.10 119.74 115.59 1qr6 s LYS 1057Ca 0.00 -0.87 -0.11 0.00 -0.36 0.00 0.00 55.97 54.63 1qr6 s LYS 1057Cb 0.00 -2.15 -0.05 0.00 -1.51 0.00 0.00 37.83 34.12 1qr6 s LYS 1057CO 0.00 0.31 0.17 0.42 -0.36 0.00 0.00 175.35 175.89 1qr6 s ILE 1058N 0.01 5.38 0.18 5.43 1.01 -1.26 -4.89 121.20 127.07 1qr6 s ILE 1058Ca -0.08 0.26 0.11 0.00 0.00 0.00 0.00 60.65 60.93 1qr6 s ILE 1058Cb -0.15 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 1qr6 s ILE 1058CO 0.05 0.41 -0.20 -1.61 0.00 0.00 0.00 174.94 173.59 1qr6 s GLU 1059N 0.53 1.68 0.56 2.79 2.02 -1.26 -4.99 118.70 120.03 1qr6 s GLU 1059Ca 0.10 -1.43 0.00 0.00 0.02 0.00 0.00 54.97 53.66 1qr6 s GLU 1059Cb -0.12 -1.95 0.03 0.00 0.10 0.00 0.00 34.13 32.20 1qr6 s GLU 1059CO 0.00 0.42 0.80 0.95 0.02 0.00 0.00 175.26 177.44 1qr6 s THR 1060N -1.63 2.73 0.34 3.63 -4.23 -1.26 -3.30 115.64 111.92 1qr6 s THR 1060Ca 0.21 -0.60 0.05 0.00 -1.18 0.00 0.00 61.69 60.17 1qr6 s THR 1060Cb -0.08 -3.04 0.15 0.00 1.34 0.00 0.00 72.50 70.86 1qr6 s THR 1060CO 0.11 -0.03 1.86 -0.61 -0.54 0.00 0.00 174.62 175.41 1qr6 h GLN 1061N 0.02 0.47 -0.41 3.99 4.15 -1.97 -2.34 115.11 119.03 1qr6 h GLN 1061Ca -0.43 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 58.86 1qr6 h GLN 1061Cb 1.30 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.90 1qr6 h GLN 1061CO 0.53 0.54 0.18 -0.44 -1.93 0.00 0.00 178.83 177.72 1qr6 h ASP 1062N 0.45 0.55 -0.70 -0.69 3.32 -2.00 -1.94 116.42 115.41 1qr6 h ASP 1062Ca 0.09 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 1qr6 h ASP 1062Cb 0.38 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 1qr6 h ASP 1062CO 0.02 0.54 0.19 0.40 -1.72 0.00 0.00 179.24 178.66 1qr6 h ILE 1063N 0.51 1.26 -0.66 0.35 2.04 -1.86 -1.49 117.51 117.67 1qr6 h ILE 1063Ca 0.14 -0.94 -0.08 0.00 1.00 0.00 0.00 64.86 64.97 1qr6 h ILE 1063Cb 0.15 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1qr6 h ILE 1063CO -0.01 0.36 0.09 1.56 0.00 0.00 0.00 178.15 180.15 1qr6 h GLN 1064N 1.06 1.11 -0.48 2.37 4.20 -1.26 -0.95 115.11 121.16 1qr6 h GLN 1064Ca 0.22 -0.31 -0.06 0.00 0.06 0.00 0.00 58.65 58.57 1qr6 h GLN 1064Cb 0.35 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1qr6 h GLN 1064CO -0.00 1.03 0.07 0.00 -0.67 0.00 0.00 178.83 179.26 1qr6 h ALA 1065N 1.04 0.64 -0.50 3.87 0.00 -1.15 -1.63 119.26 121.53 1qr6 h ALA 1065Ca 0.20 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1qr6 h ALA 1065Cb 0.47 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1qr6 h ALA 1065CO 0.02 0.37 0.33 1.25 0.00 0.00 0.00 179.25 181.22 1qr6 h LEU 1066N 0.67 0.52 -0.13 0.00 5.85 -0.98 0.06 115.31 121.31 1qr6 h LEU 1066Ca 0.15 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1qr6 h LEU 1066Cb 0.40 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1qr6 h LEU 1066CO 0.01 0.37 -0.12 -0.09 -0.34 0.00 0.00 178.44 178.27 1qr6 h ARG 1067N 0.61 0.30 -0.49 1.25 2.43 -0.56 -2.87 114.38 115.06 1qr6 h ARG 1067Ca 0.19 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1qr6 h ARG 1067Cb 0.03 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1qr6 h ARG 1067CO -0.05 0.70 0.17 0.35 -1.51 0.00 0.00 179.97 179.63 1qr6 h PHE 1068N -0.08 0.77 -0.80 2.20 3.57 -0.88 -1.89 116.94 119.83 1qr6 h PHE 1068Ca 0.02 -0.07 0.11 0.00 3.53 0.00 0.00 57.97 61.56 1qr6 h PHE 1068Cb 0.64 -0.22 -0.08 0.00 2.79 0.00 0.00 35.95 39.07 1qr6 h PHE 1068CO 0.08 0.66 0.42 1.25 -2.23 0.00 0.00 178.31 178.50 1qr6 h HIS 1069N 0.65 0.75 -0.04 0.41 2.76 -1.01 0.46 115.15 119.13 1qr6 h HIS 1069Ca 0.16 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.35 1qr6 h HIS 1069Cb 0.24 -0.22 -0.00 0.00 1.55 0.00 0.00 27.41 28.98 1qr6 h HIS 1069CO 0.01 0.25 -0.01 0.00 -1.30 0.00 0.00 177.93 176.88 1qr6 h ARG 1070N 0.67 0.08 -0.39 5.26 -0.00 -1.31 0.31 114.38 119.00 1qr6 h ARG 1070Ca 0.41 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.98 59.85 1qr6 h ARG 1070Cb 0.47 -0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.41 1qr6 h ARG 1070CO -0.30 0.42 0.23 -0.91 0.00 0.00 0.00 179.97 179.42 1qr6 h ASN 1071N -0.27 0.46 0.82 7.04 -0.26 -0.54 -1.51 115.58 121.31 1qr6 h ASN 1071Ca 0.01 -0.02 -0.24 0.00 -0.56 0.00 0.00 56.30 55.49 1qr6 h ASN 1071Cb 0.39 -0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 37.51 1qr6 h ASN 1071CO 0.00 0.35 -1.21 0.25 -1.06 0.00 0.00 177.43 175.76 1qr6 h LEU 1072N 0.53 0.07 0.07 1.61 5.85 -0.02 -3.31 115.31 120.11 1qr6 h LEU 1072Ca 0.14 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.79 1qr6 h LEU 1072Cb -0.02 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1qr6 h LEU 1072CO -0.03 1.07 -0.14 0.07 -0.34 0.00 0.00 178.44 179.07 1qr6 h LYS 1073N 0.01 -0.27 -5.81 1.25 2.10 0.59 -3.45 116.57 111.00 1qr6 h LYS 1073Ca -0.10 0.02 -0.61 0.00 -2.00 0.00 0.00 60.65 57.96 1qr6 h LYS 1073Cb 1.86 0.06 -0.12 0.00 -0.90 0.00 0.00 32.23 33.13 1qr6 h LYS 1073CO 0.13 -0.18 1.07 -1.59 -2.00 0.00 0.00 179.45 176.88 1qr6 s LYS 1074N -6.13 3.41 0.00 0.07 -2.85 -0.73 -5.08 119.74 108.42 1qr6 s LYS 1074Ca -0.15 -1.00 0.00 0.00 -1.00 0.00 0.00 55.97 53.82 1qr6 s LYS 1074Cb 0.08 -4.78 0.00 0.00 -2.06 0.00 0.00 37.83 31.07 1qr6 s LYS 1074CO 0.66 -2.03 0.00 2.41 0.10 0.00 0.00 175.35 176.49 1qr6 n THR 1076N 6.29 0.00 -1.05 3.79 -1.04 -1.26 -5.02 114.28 115.98 1qr6 n THR 1076Ca 0.17 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.85 1qr6 n THR 1076Cb 0.49 0.00 0.12 0.00 -1.82 0.00 0.00 70.33 69.12 1qr6 n THR 1076CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1qr6 n SER 1077N 0.00 0.21 0.12 8.00 3.41 -1.26 -4.92 113.62 119.18 1qr6 n SER 1077Ca 0.00 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 1qr6 n SER 1077Cb 0.00 -1.42 0.04 0.00 -0.26 0.00 0.00 64.21 62.57 1qr6 n SER 1077CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1qr6 h PRO 1078N -1.00 0.00 -0.36 4.33 0.13 -2.01 -2.97 132.00 130.12 1qr6 h PRO 1078Ca -0.45 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.59 1qr6 h PRO 1078Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 1qr6 h PRO 1078CO 0.43 0.63 -0.10 1.25 -0.23 0.00 0.00 178.00 179.98 1qr6 h LEU 1079N 0.00 0.70 -0.95 1.56 5.85 -1.93 0.18 115.31 120.73 1qr6 h LEU 1079Ca -0.01 -0.37 -0.11 0.00 0.84 0.00 0.00 57.88 58.23 1qr6 h LEU 1079Cb 1.40 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 1qr6 h LEU 1079CO 0.08 0.92 -0.49 1.05 -0.34 0.00 0.00 178.44 179.66 1qr6 h GLU 1080N 0.49 0.08 -0.31 1.25 4.11 -1.94 -0.57 114.58 117.69 1qr6 h GLU 1080Ca 0.09 -0.05 -0.10 0.00 0.07 0.00 0.00 59.36 59.38 1qr6 h GLU 1080Cb 0.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1qr6 h GLU 1080CO 0.04 0.56 -0.21 0.87 0.07 0.00 0.00 179.01 180.34 1qr6 h LYS 1081N 0.07 0.58 0.10 1.06 1.57 -1.30 -1.87 116.57 116.77 1qr6 h LYS 1081Ca 0.00 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1qr6 h LYS 1081Cb 0.89 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1qr6 h LYS 1081CO 0.07 0.75 -0.05 -0.92 -0.57 0.00 0.00 179.45 178.73 1qr6 h TYR 1082N 0.52 -0.13 -0.99 -1.35 3.20 0.04 -1.78 116.97 116.48 1qr6 h TYR 1082Ca 0.08 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.00 1qr6 h TYR 1082Cb 0.65 0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.89 1qr6 h TYR 1082CO 0.03 0.24 0.64 0.82 -1.64 0.00 0.00 178.16 178.25 1qr6 h ILE 1083N -0.52 1.11 -0.09 1.81 1.08 -1.04 -2.96 117.51 116.90 1qr6 h ILE 1083Ca -0.01 -0.41 -0.07 0.00 -0.39 0.00 0.00 64.86 63.98 1qr6 h ILE 1083Cb 0.42 -0.17 0.00 0.00 -3.07 0.00 0.00 36.82 34.00 1qr6 h ILE 1083CO 0.02 0.22 -0.21 0.22 -0.69 0.00 0.00 178.15 177.71 1qr6 h TYR 1084N 1.18 0.39 0.00 1.37 3.20 -1.34 -2.76 116.97 119.01 1qr6 h TYR 1084Ca 0.42 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 62.14 1qr6 h TYR 1084Cb 0.12 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1qr6 h TYR 1084CO -0.00 0.82 0.00 1.51 -1.64 0.00 0.00 178.16 178.85 1qr6 n ILE 1085N -4.52 0.44 0.00 1.81 3.06 -0.67 -2.65 119.36 116.82 1qr6 n ILE 1085Ca -0.07 -0.05 0.00 0.00 -2.50 0.00 0.00 62.75 60.13 1qr6 n ILE 1085Cb 0.42 -0.81 0.00 0.00 0.54 0.00 0.00 39.64 39.79 1qr6 n ILE 1085CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1qr6 n GLY 1087N 1.10 0.00 0.14 4.50 0.00 -1.04 -2.54 105.19 107.35 1qr6 n GLY 1087Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qr6 n GLY 1087CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1qr6 h ILE 1088N 0.00 1.37 -0.09 -0.61 2.04 -1.80 -2.95 117.51 115.48 1qr6 h ILE 1088Ca 0.00 -2.08 -0.21 0.00 1.00 0.00 0.00 64.86 63.57 1qr6 h ILE 1088Cb 0.00 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 1qr6 h ILE 1088CO 0.00 0.58 -0.80 0.06 0.00 0.00 0.00 178.15 177.99 1qr6 h GLN 1089N 0.00 0.55 0.00 2.37 3.07 -1.69 0.20 115.11 119.61 1qr6 h GLN 1089Ca -0.01 -0.48 0.00 0.00 0.09 0.00 0.00 58.65 58.25 1qr6 h GLN 1089Cb 1.09 0.11 0.00 0.00 0.08 0.00 0.00 27.48 28.76 1qr6 h GLN 1089CO 0.08 1.11 0.00 -0.85 0.09 0.00 0.00 178.83 179.26 1qr6 n GLU 1090N -3.86 0.04 -0.05 0.06 0.28 -1.17 -3.77 120.64 112.17 1qr6 n GLU 1090Ca -0.06 0.20 -0.06 0.00 -0.16 0.00 0.00 57.16 57.07 1qr6 n GLU 1090Cb 0.75 -1.56 -0.05 0.00 1.43 0.00 0.00 31.44 32.01 1qr6 n GLU 1090CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1qr6 n ARG 1091N -1.63 0.89 -3.36 3.44 1.74 -1.12 -4.57 116.66 112.06 1qr6 n ARG 1091Ca 0.04 0.04 -0.14 0.00 -0.77 0.00 0.00 57.85 57.03 1qr6 n ARG 1091Cb 0.24 -1.21 -0.08 0.00 -1.02 0.00 0.00 32.46 30.39 1qr6 n ARG 1091CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1qr6 s ASN 1092N -4.75 1.17 0.30 0.55 3.84 0.67 -4.13 114.94 112.59 1qr6 s ASN 1092Ca -0.11 -0.63 0.07 0.00 0.21 0.00 0.00 52.86 52.40 1qr6 s ASN 1092Cb 0.03 0.74 0.47 0.00 -0.55 0.00 0.00 41.25 41.95 1qr6 s ASN 1092CO 0.27 -0.37 1.70 -0.08 -2.79 0.00 0.00 177.10 175.83 1qr6 h GLU 1093N 8.20 0.20 -0.03 0.43 4.81 -1.53 -1.65 114.58 125.01 1qr6 h GLU 1093Ca -0.11 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 1qr6 h GLU 1093Cb 1.09 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.47 1qr6 h GLU 1093CO 0.30 0.59 -0.03 0.87 -0.73 0.00 0.00 179.01 180.02 1qr6 h LYS 1094N 0.16 0.07 -0.76 1.92 1.79 -1.88 -2.65 116.57 115.23 1qr6 h LYS 1094Ca 0.01 -0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.39 1qr6 h LYS 1094Cb 0.83 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.45 1qr6 h LYS 1094CO 0.06 0.53 0.24 1.25 -1.08 0.00 0.00 179.45 180.46 1qr6 h LEU 1095N -0.39 1.10 -0.74 2.94 5.85 -1.83 -1.62 115.31 120.61 1qr6 h LEU 1095Ca 0.00 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.59 1qr6 h LEU 1095Cb 0.51 -0.29 -0.06 0.00 0.37 0.00 0.00 40.66 41.20 1qr6 h LEU 1095CO 0.01 1.01 0.42 0.15 -0.34 0.00 0.00 178.44 179.69 1qr6 h PHE 1096N 1.12 0.77 0.00 1.25 3.57 -1.28 0.48 116.94 122.85 1qr6 h PHE 1096Ca 0.24 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.60 1qr6 h PHE 1096Cb 0.30 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 1qr6 h PHE 1096CO 0.03 0.35 -0.80 1.88 -2.23 0.00 0.00 178.31 177.54 1qr6 h TYR 1097N 0.75 0.00 -0.08 0.41 -1.99 -1.22 -2.07 116.97 112.77 1qr6 h TYR 1097Ca 0.34 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.06 1qr6 h TYR 1097Cb 0.24 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.97 1qr6 h TYR 1097CO -0.07 0.80 0.01 -0.09 -0.00 0.00 0.00 178.16 178.81 1qr6 h ARG 1098N 0.00 0.14 0.32 4.88 9.65 -0.69 -1.27 114.38 127.41 1qr6 h ARG 1098Ca -0.01 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1qr6 h ARG 1098Cb 1.52 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 30.05 1qr6 h ARG 1098CO 0.10 0.36 -0.45 0.82 2.80 0.00 0.00 179.97 183.60 1qr6 h ILE 1099N -0.11 0.11 0.00 1.20 2.04 -0.90 -0.76 117.51 119.09 1qr6 h ILE 1099Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1qr6 h ILE 1099Cb 0.29 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 1qr6 h ILE 1099CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 178.15 178.40 1qr6 h LEU 1100N -0.82 0.00 0.00 1.44 5.85 -1.38 -1.56 115.31 118.84 1qr6 h LEU 1100Ca -0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1qr6 h LEU 1100Cb 0.76 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.79 1qr6 h LEU 1100CO -0.14 0.00 -1.57 0.00 -0.34 0.00 0.00 178.44 176.39 1qr6 n GLN 1101N -2.48 0.61 0.17 1.25 6.02 -0.48 -3.01 117.38 119.46 1qr6 n GLN 1101Ca -0.00 -0.07 0.06 0.00 -0.01 0.00 0.00 57.00 56.98 1qr6 n GLN 1101Cb 0.12 -1.64 0.12 0.00 1.02 0.00 0.00 30.24 29.86 1qr6 n GLN 1101CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1qr6 h ASP 1102N 0.00 0.00 -1.25 1.08 5.19 -0.11 -3.35 116.42 117.99 1qr6 h ASP 1102Ca 0.00 0.00 -0.42 0.00 -0.62 0.00 0.00 57.03 55.99 1qr6 h ASP 1102Cb 0.98 0.00 -0.30 0.00 0.18 0.00 0.00 39.33 40.19 1qr6 h ASP 1102CO 0.00 0.31 -0.89 -0.67 -3.12 0.00 0.00 179.24 174.87 1qr6 n ASP 1103N -3.20 -0.76 0.01 6.45 2.03 -1.14 -4.98 116.55 114.96 1qr6 n ASP 1103Ca 0.02 -3.05 -0.19 0.00 0.52 0.00 0.00 54.79 52.09 1qr6 n ASP 1103Cb 0.64 0.31 -0.09 0.00 -0.72 0.00 0.00 41.12 41.26 1qr6 n ASP 1103CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1qr6 h ILE 1104N 2.15 1.28 -0.56 5.18 2.10 -1.68 -1.64 117.51 124.34 1qr6 h ILE 1104Ca 0.00 -2.12 0.11 0.00 1.08 0.00 0.00 64.86 63.93 1qr6 h ILE 1104Cb 0.97 2.21 -0.09 0.00 -1.09 0.00 0.00 36.82 38.82 1qr6 h ILE 1104CO 0.39 0.66 0.06 -0.08 -1.08 0.00 0.00 178.15 178.10 1qr6 h GLU 1105N 0.45 0.17 0.00 2.19 4.81 -1.87 -2.85 114.58 117.48 1qr6 h GLU 1105Ca -0.10 -0.01 -0.27 0.00 -0.13 0.00 0.00 59.36 58.86 1qr6 h GLU 1105Cb 1.56 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.86 1qr6 h GLU 1105CO 0.18 0.11 -1.53 0.66 -0.73 0.00 0.00 179.01 177.71 1qr6 h SER 1106N 0.18 0.00 0.00 1.04 4.64 -1.97 -3.38 113.55 114.06 1qr6 h SER 1106Ca 0.29 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.51 1qr6 h SER 1106Cb 0.44 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.49 1qr6 h SER 1106CO -0.43 0.98 -0.18 0.18 -0.87 0.00 0.00 176.83 176.52 1qr6 n LEU 1107N -3.11 4.70 0.00 5.97 4.32 -0.62 -3.88 117.00 124.38 1qr6 n LEU 1107Ca -0.13 -2.60 0.00 0.00 -0.02 0.00 0.00 56.01 53.26 1qr6 n LEU 1107Cb 1.02 -1.16 0.00 0.00 -1.62 0.00 0.00 43.42 41.65 1qr6 n LEU 1107CO 0.45 1.24 0.00 -0.81 -1.22 0.00 0.00 177.39 177.06 1qr6 n PRO 1109N 2.17 0.00 -0.07 3.23 -0.04 -1.26 -1.30 135.00 137.73 1qr6 n PRO 1109Ca 0.24 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.63 1qr6 n PRO 1109Cb 0.67 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.10 1qr6 n PRO 1109CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1qr6 h ILE 1110N 0.00 0.16 0.00 0.52 1.08 -1.94 -1.00 117.51 116.32 1qr6 h ILE 1110Ca 0.00 -1.19 -0.05 0.00 -0.39 0.00 0.00 64.86 63.22 1qr6 h ILE 1110Cb 0.00 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 34.12 1qr6 h ILE 1110CO 0.00 0.05 -0.26 0.58 -0.69 0.00 0.00 178.15 177.84 1qr6 h VAL 1111N -1.00 1.18 0.00 1.67 2.07 -1.53 -3.28 116.25 115.36 1qr6 h VAL 1111Ca -0.05 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1qr6 h VAL 1111Cb 0.59 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1qr6 h VAL 1111CO -0.03 0.25 0.00 0.00 0.02 0.00 0.00 177.57 177.81 1qr6 n TYR 1112N -4.22 0.00 0.00 1.57 9.36 -1.26 -4.56 117.16 118.05 1qr6 n TYR 1112Ca -0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.20 1qr6 n TYR 1112Cb 0.31 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.02 1qr6 n TYR 1112CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1qr6 n THR 1113N 0.00 0.00 -0.11 2.97 -1.04 -1.26 -1.59 114.28 113.24 1qr6 n THR 1113Ca 0.00 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.77 1qr6 n THR 1113Cb 0.00 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 1qr6 n THR 1113CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1qr6 n PRO 1114N 0.00 0.57 -0.24 -2.82 -0.04 -1.22 -4.60 135.00 126.65 1qr6 n PRO 1114Ca 0.00 0.49 -0.03 0.00 -0.04 0.00 0.00 63.50 63.92 1qr6 n PRO 1114Cb 0.00 -1.68 0.15 0.00 -0.04 0.00 0.00 33.50 31.94 1qr6 n PRO 1114CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1qr6 h THR 1115N -1.00 1.23 -0.91 0.52 2.02 -0.85 -2.64 112.91 111.28 1qr6 h THR 1115Ca -0.45 -0.65 0.24 0.00 0.77 0.00 0.00 66.41 66.32 1qr6 h THR 1115Cb 1.39 0.28 -0.05 0.00 -1.74 0.00 0.00 68.15 68.03 1qr6 h THR 1115CO -0.27 0.28 0.63 1.62 0.37 0.00 0.00 175.52 178.15 1qr6 h VAL 1116N 1.06 0.59 0.00 3.16 3.04 -1.35 1.05 116.25 123.80 1qr6 h VAL 1116Ca 0.26 -0.06 -0.07 0.00 -1.01 0.00 0.00 66.70 65.81 1qr6 h VAL 1116Cb 0.10 0.39 -0.01 0.00 -2.01 0.00 0.00 31.29 29.76 1qr6 h VAL 1116CO -0.03 0.03 -0.36 1.23 -1.01 0.00 0.00 177.57 177.43 1qr6 h GLY 1117N 0.18 0.00 0.98 3.17 0.00 -1.70 0.13 103.07 105.84 1qr6 h GLY 1117Ca 0.46 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.65 1qr6 h GLY 1117CO -0.10 0.00 -0.37 -2.00 0.00 0.00 0.00 176.54 174.07 1qr6 h LEU 1118N 0.00 0.76 -0.72 3.11 6.46 0.10 -3.11 115.31 121.93 1qr6 h LEU 1118Ca -0.00 -0.51 -0.09 0.00 -0.12 0.00 0.00 57.88 57.15 1qr6 h LEU 1118Cb 0.71 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.40 1qr6 h LEU 1118CO 0.05 1.13 -0.03 0.00 -0.62 0.00 0.00 178.44 178.97 1qr6 h ALA 1119N 0.66 0.92 0.00 1.25 0.00 -0.92 -1.86 119.26 119.31 1qr6 h ALA 1119Ca 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1qr6 h ALA 1119Cb 0.96 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1qr6 h ALA 1119CO 0.09 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.98 1qr6 h SER 1121N 0.00 0.63 0.06 0.00 0.02 -1.28 -3.28 113.55 109.71 1qr6 h SER 1121Ca 0.00 -0.72 0.00 0.00 -0.84 0.00 0.00 61.79 60.23 1qr6 h SER 1121Cb 0.07 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1qr6 h SER 1121CO 0.00 1.57 -0.09 0.00 -1.14 0.00 0.00 176.83 177.17 1qr6 n GLN 1122N -3.61 1.44 -1.57 3.45 1.13 -0.30 -4.93 117.38 112.99 1qr6 n GLN 1122Ca -0.15 -0.88 -0.52 0.00 -1.94 0.00 0.00 57.00 53.50 1qr6 n GLN 1122Cb 1.07 -1.48 -0.06 0.00 0.11 0.00 0.00 30.24 29.88 1qr6 n GLN 1122CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1qr6 n TYR 1123N -0.01 1.35 0.00 1.08 4.02 0.15 0.11 117.16 123.85 1qr6 n TYR 1123Ca 0.16 0.70 0.00 0.00 -0.01 0.00 0.00 57.90 58.76 1qr6 n TYR 1123Cb 0.37 -2.29 0.00 0.00 -0.02 0.00 0.00 39.34 37.40 1qr6 n TYR 1123CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1qr6 n GLY 1124N 2.31 2.87 0.13 2.72 0.00 -1.26 -4.70 105.19 107.26 1qr6 n GLY 1124Ca 0.18 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 1qr6 n GLY 1124CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1qr6 n HIS 1125N 0.00 0.35 0.08 1.61 8.25 0.31 -4.30 115.22 121.53 1qr6 n HIS 1125Ca 0.00 0.08 0.10 0.00 -0.26 0.00 0.00 57.72 57.64 1qr6 n HIS 1125Cb 0.00 -1.05 -0.03 0.00 1.12 0.00 0.00 29.99 30.03 1qr6 n HIS 1125CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1qr6 n ILE 1126N -3.29 0.59 -1.25 1.59 -5.35 -0.10 -4.98 119.36 106.57 1qr6 n ILE 1126Ca -0.41 -0.56 -0.45 0.00 -0.27 0.00 0.00 62.75 61.06 1qr6 n ILE 1126Cb 1.02 -0.32 -0.04 0.00 -1.74 0.00 0.00 39.64 38.55 1qr6 n ILE 1126CO 0.00 0.00 0.00 0.33 -1.76 0.00 0.00 176.55 175.12 1qr6 n PHE 1127N -2.64 -0.07 0.00 4.28 7.35 -1.26 -4.89 117.46 120.23 1qr6 n PHE 1127Ca -0.01 0.87 0.00 0.00 -0.76 0.00 0.00 57.45 57.55 1qr6 n PHE 1127Cb 0.58 -1.75 0.00 0.00 0.35 0.00 0.00 39.48 38.66 1qr6 n PHE 1127CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1qr6 n ARG 1128N 1.03 1.12 -3.63 -4.13 1.74 -1.26 -4.90 116.66 106.63 1qr6 n ARG 1128Ca 0.16 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.21 1qr6 n ARG 1128Cb 0.16 -0.45 -0.06 0.00 -1.02 0.00 0.00 32.46 31.09 1qr6 n ARG 1128CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1qr6 s ARG 1129N -0.79 0.44 1.02 5.56 6.06 -1.26 -5.17 118.95 124.81 1qr6 s ARG 1129Ca 0.00 0.79 -0.14 0.00 -2.50 0.00 0.00 55.73 53.88 1qr6 s ARG 1129Cb 0.00 0.14 0.10 0.00 0.06 0.00 0.00 34.95 35.24 1qr6 s ARG 1129CO 0.00 -0.10 0.42 -2.30 -2.50 0.00 0.00 175.30 170.82 1qr6 n PRO 1130N 3.96 -0.95 0.00 5.12 -0.02 -1.26 -5.00 135.00 136.85 1qr6 n PRO 1130Ca -0.18 -0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.06 1qr6 n PRO 1130Cb 0.57 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1qr6 n PRO 1130CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1qr6 n LYS 1131N -2.42 1.33 0.00 -0.52 4.76 -1.26 -5.14 118.16 114.91 1qr6 n LYS 1131Ca 0.05 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 1qr6 n LYS 1131Cb 0.56 -0.64 0.00 0.00 -1.84 0.00 0.00 35.03 33.11 1qr6 n LYS 1131CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1qr6 n GLY 1132N 1.18 5.35 3.40 0.72 0.00 -1.26 -4.85 105.19 109.73 1qr6 n GLY 1132Ca 0.00 -1.35 -0.35 0.00 0.00 0.00 0.00 46.02 44.32 1qr6 n GLY 1132CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qr6 s LEU 1133N 0.00 3.13 -0.27 0.99 2.96 -0.37 -5.02 118.68 120.10 1qr6 s LEU 1133Ca 0.00 -0.27 -0.09 0.00 -0.22 0.00 0.00 54.13 53.54 1qr6 s LEU 1133Cb 0.00 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.86 1qr6 s LEU 1133CO 0.00 0.03 0.13 -0.36 -1.32 0.00 0.00 176.35 174.83 1qr6 s PHE 1134N 1.21 3.15 -0.23 5.38 0.40 -1.26 -1.77 117.98 124.86 1qr6 s PHE 1134Ca 0.03 -0.23 -0.00 0.00 -0.60 0.00 0.00 56.93 56.13 1qr6 s PHE 1134Cb -0.15 -2.32 0.03 0.00 0.51 0.00 0.00 43.02 41.10 1qr6 s PHE 1134CO 0.00 -0.30 -0.11 0.42 0.70 0.00 0.00 175.22 175.94 1qr6 s ILE 1135N 1.67 2.54 0.20 0.64 1.01 -0.88 -5.00 121.20 121.38 1qr6 s ILE 1135Ca 0.06 -1.10 0.03 0.00 0.00 0.00 0.00 60.65 59.64 1qr6 s ILE 1135Cb -0.16 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 1qr6 s ILE 1135CO 0.07 0.25 0.34 -0.55 0.00 0.00 0.00 174.94 175.05 1qr6 s SER 1136N 1.28 6.33 0.46 3.58 0.15 -1.26 -0.69 113.70 123.55 1qr6 s SER 1136Ca -0.00 0.16 0.32 0.00 0.70 0.00 0.00 55.95 57.13 1qr6 s SER 1136Cb -0.16 -1.90 1.45 0.00 -1.71 0.00 0.00 66.02 63.69 1qr6 s SER 1136CO -0.07 -0.02 1.94 -0.29 1.20 0.00 0.00 173.24 176.00 1qr6 h ILE 1137N 1.39 0.00 0.00 6.45 6.09 -1.52 0.15 117.51 130.07 1qr6 h ILE 1137Ca -0.50 -0.27 0.00 0.00 -1.37 0.00 0.00 64.86 62.72 1qr6 h ILE 1137Cb 1.21 1.13 0.00 0.00 0.47 0.00 0.00 36.82 39.63 1qr6 h ILE 1137CO 0.65 0.00 0.00 0.28 -3.07 0.00 0.00 178.15 176.01 1qr6 h SER 1138N 0.00 0.00 0.02 2.19 0.02 -1.94 -2.61 113.55 111.23 1qr6 h SER 1138Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1qr6 h SER 1138Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1qr6 h SER 1138CO 0.00 0.00 -0.06 0.47 -1.14 0.00 0.00 176.83 176.10 1qr6 n ASP 1139N -2.55 1.70 -4.61 3.07 8.00 0.51 -4.96 116.55 117.70 1qr6 n ASP 1139Ca 0.03 -1.49 -0.46 0.00 0.71 0.00 0.00 54.79 53.58 1qr6 n ASP 1139Cb 0.34 0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.46 1qr6 n ASP 1139CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1qr6 n ARG 1140N 0.24 1.52 0.00 -1.24 1.85 -0.99 -0.84 116.66 117.20 1qr6 n ARG 1140Ca 0.17 0.54 0.00 0.00 -1.00 0.00 0.00 57.85 57.56 1qr6 n ARG 1140Cb 0.40 -2.02 0.00 0.00 -1.05 0.00 0.00 32.46 29.79 1qr6 n ARG 1140CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1qr6 n GLY 1141N 1.58 1.43 0.81 2.89 0.00 -1.26 -4.83 105.19 105.81 1qr6 n GLY 1141Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.17 1qr6 n GLY 1141CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1qr6 n HIS 1142N -2.00 0.00 0.15 1.61 8.25 -0.02 -4.88 115.22 118.33 1qr6 n HIS 1142Ca 0.00 -0.55 0.03 0.00 -0.26 0.00 0.00 57.72 56.95 1qr6 n HIS 1142Cb 0.00 -0.13 0.42 0.00 1.12 0.00 0.00 29.99 31.40 1qr6 n HIS 1142CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1qr6 h VAL 1143N 5.10 1.17 -0.11 1.59 2.07 -1.87 -2.68 116.25 121.52 1qr6 h VAL 1143Ca -0.08 -0.78 -0.13 0.00 0.82 0.00 0.00 66.70 66.53 1qr6 h VAL 1143Cb 1.46 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.50 1qr6 h VAL 1143CO 0.04 0.24 -0.50 -0.09 0.02 0.00 0.00 177.57 177.27 1qr6 h ARG 1144N 0.15 0.28 -0.61 1.57 9.65 -1.91 0.98 114.38 124.49 1qr6 h ARG 1144Ca 0.03 -0.16 -0.06 0.00 -1.10 0.00 0.00 59.98 58.69 1qr6 h ARG 1144Cb 0.38 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.95 1qr6 h ARG 1144CO 0.02 0.72 0.14 0.66 2.80 0.00 0.00 179.97 184.32 1qr6 h SER 1145N 0.23 0.90 -0.34 -3.80 4.64 -1.87 0.73 113.55 114.05 1qr6 h SER 1145Ca 0.01 -0.18 -0.17 0.00 -0.47 0.00 0.00 61.79 60.98 1qr6 h SER 1145Cb 0.96 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1qr6 h SER 1145CO 0.08 0.88 -0.47 0.40 -0.87 0.00 0.00 176.83 176.85 1qr6 h ILE 1146N 0.92 1.27 -0.62 0.95 2.04 -1.30 -2.83 117.51 117.94 1qr6 h ILE 1146Ca 0.20 -1.65 -0.05 0.00 1.00 0.00 0.00 64.86 64.36 1qr6 h ILE 1146Cb 0.34 1.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 1qr6 h ILE 1146CO 0.00 0.55 0.20 0.58 0.00 0.00 0.00 178.15 179.48 1qr6 h VAL 1147N 0.72 1.24 0.00 1.67 2.07 -0.21 -1.86 116.25 119.89 1qr6 h VAL 1147Ca 0.04 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1qr6 h VAL 1147Cb 1.08 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1qr6 h VAL 1147CO 0.11 0.31 0.00 0.47 0.02 0.00 0.00 177.57 178.48 1qr6 n ASP 1148N -4.39 0.42 -0.01 0.57 8.00 0.25 -1.18 116.55 120.21 1qr6 n ASP 1148Ca 0.04 0.65 0.14 0.00 0.71 0.00 0.00 54.79 56.33 1qr6 n ASP 1148Cb 0.20 -0.72 0.61 0.00 -0.02 0.00 0.00 41.12 41.19 1qr6 n ASP 1148CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1qr6 n ASN 1149N -2.01 0.08 -4.61 -2.24 3.02 -0.70 -4.70 115.26 104.09 1qr6 n ASN 1149Ca 0.01 0.23 -0.43 0.00 -0.03 0.00 0.00 54.58 54.36 1qr6 n ASN 1149Cb 0.11 -0.36 -0.02 0.00 -0.61 0.00 0.00 39.78 38.90 1qr6 n ASN 1149CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1qr6 s TRP 1150N -2.88 2.67 0.56 3.10 -0.11 -0.32 -4.90 118.94 117.06 1qr6 s TRP 1150Ca 0.17 0.79 0.33 0.00 1.22 0.00 0.00 56.10 58.62 1qr6 s TRP 1150Cb 0.19 -4.17 1.48 0.00 -1.50 0.00 0.00 33.47 29.47 1qr6 s TRP 1150CO 0.53 -1.58 1.81 -1.00 -4.62 0.00 0.00 176.95 172.09 1qr6 h PRO 1151N 9.63 0.00 -6.32 5.86 0.13 -1.88 -3.41 132.00 136.00 1qr6 h PRO 1151Ca -0.25 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.34 1qr6 h PRO 1151Cb 1.09 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 1qr6 h PRO 1151CO 1.08 0.00 0.30 -1.21 -0.23 0.00 0.00 178.00 177.94 1qr6 s GLU 1152N -4.84 4.54 -0.13 0.86 8.01 -1.26 -4.96 118.70 120.92 1qr6 s GLU 1152Ca -0.05 1.28 0.03 0.00 0.01 0.00 0.00 54.97 56.25 1qr6 s GLU 1152Cb 0.20 -3.45 -0.24 0.00 -4.31 0.00 0.00 34.13 26.34 1qr6 s GLU 1152CO 0.72 -0.00 0.32 0.09 0.01 0.00 0.00 175.26 176.39 1qr6 n ASN 1153N 3.80 1.50 -3.62 -0.19 5.03 -1.26 -4.59 115.26 115.93 1qr6 n ASN 1153Ca 0.04 0.19 -0.40 0.00 0.87 0.00 0.00 54.58 55.27 1qr6 n ASN 1153Cb 0.51 -0.35 0.02 0.00 -1.02 0.00 0.00 39.78 38.94 1qr6 n ASN 1153CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 1qr6 n HIS 1154N -3.24 2.81 -2.76 3.10 -0.00 -1.26 -4.85 115.22 109.02 1qr6 n HIS 1154Ca -0.30 -2.64 -0.42 0.00 0.46 0.00 0.00 57.72 54.82 1qr6 n HIS 1154Cb 1.05 -1.16 -0.03 0.00 -0.12 0.00 0.00 29.99 29.73 1qr6 n HIS 1154CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1qr6 s VAL 1155N -4.25 4.84 -0.10 3.57 1.01 -1.26 -4.39 120.40 119.82 1qr6 s VAL 1155Ca 0.39 1.92 0.10 0.00 0.00 0.00 0.00 61.98 64.40 1qr6 s VAL 1155Cb 0.19 -4.26 -0.14 0.00 0.00 0.00 0.00 36.38 32.16 1qr6 s VAL 1155CO -0.12 0.07 0.06 0.29 0.00 0.00 0.00 175.10 175.40 1qr6 n LYS 1156N 4.67 2.01 -3.83 2.72 4.76 0.16 -4.91 118.16 123.76 1qr6 n LYS 1156Ca 0.06 -0.02 -0.28 0.00 -2.87 0.00 0.00 58.31 55.21 1qr6 n LYS 1156Cb 0.49 -1.29 -0.16 0.00 -1.84 0.00 0.00 35.03 32.23 1qr6 n LYS 1156CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1qr6 s ALA 1157N -2.32 1.28 -0.10 7.82 0.00 -0.37 -2.17 121.76 125.89 1qr6 s ALA 1157Ca -0.05 -0.77 -0.02 0.00 0.00 0.00 0.00 51.96 51.12 1qr6 s ALA 1157Cb 0.04 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.98 1qr6 s ALA 1157CO 0.46 -0.94 -0.03 0.08 0.00 0.00 0.00 175.76 175.33 1qr6 s VAL 1158N 1.72 4.04 -0.14 0.00 1.01 0.71 -1.13 120.40 126.61 1qr6 s VAL 1158Ca -0.00 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.65 1qr6 s VAL 1158Cb -0.16 -2.71 0.02 0.00 0.00 0.00 0.00 36.38 33.53 1qr6 s VAL 1158CO -0.07 0.57 -0.18 -0.69 0.00 0.00 0.00 175.10 174.73 1qr6 s VAL 1159N -0.49 1.80 0.13 2.92 1.01 -0.91 -0.74 120.40 124.13 1qr6 s VAL 1159Ca 0.08 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.34 1qr6 s VAL 1159Cb -0.12 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1qr6 s VAL 1159CO 0.02 0.50 -0.12 -0.69 0.00 0.00 0.00 175.10 174.80 1qr6 s VAL 1160N 1.14 3.14 0.05 2.92 1.01 0.16 -0.69 120.40 128.15 1qr6 s VAL 1160Ca -0.01 -1.46 -0.20 0.00 0.00 0.00 0.00 61.98 60.30 1qr6 s VAL 1160Cb -0.14 -2.49 0.05 0.00 0.00 0.00 0.00 36.38 33.80 1qr6 s VAL 1160CO -0.07 0.04 0.48 0.28 0.00 0.00 0.00 175.10 175.83 1qr6 s THR 1161N -1.34 0.04 -0.61 3.92 -1.32 -1.07 0.66 115.64 115.91 1qr6 s THR 1161Ca 0.21 -0.34 0.07 0.00 -1.21 0.00 0.00 61.69 60.42 1qr6 s THR 1161Cb -0.10 -0.98 0.17 0.00 -1.51 0.00 0.00 72.50 70.07 1qr6 s THR 1161CO 0.13 -0.19 1.09 -0.90 -2.21 0.00 0.00 174.62 172.54 1qr6 n ASP 1162N 0.38 2.41 0.00 8.08 5.75 -1.26 -1.02 116.55 130.89 1qr6 n ASP 1162Ca -0.18 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 52.71 1qr6 n ASP 1162Cb 0.60 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 1qr6 n ASP 1162CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qr6 n GLY 1163N 0.16 0.26 0.30 6.12 0.00 -1.25 -4.64 105.19 106.15 1qr6 n GLY 1163Ca 0.07 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.11 1qr6 n GLY 1163CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1qr6 h GLU 1164N 0.72 0.57 -2.59 1.61 4.81 -1.82 -1.62 114.58 116.27 1qr6 h GLU 1164Ca 0.00 -0.05 -0.59 0.00 -0.13 0.00 0.00 59.36 58.59 1qr6 h GLU 1164Cb 0.27 -0.12 -0.39 0.00 0.63 0.00 0.00 28.75 29.14 1qr6 h GLU 1164CO 0.00 0.42 -0.86 1.03 -0.73 0.00 0.00 179.01 178.87 1qr6 s ARG 1165N -5.41 0.89 -0.53 1.92 0.52 -1.14 -2.40 118.95 112.80 1qr6 s ARG 1165Ca -0.08 -1.82 -0.20 0.00 -0.52 0.00 0.00 55.73 53.11 1qr6 s ARG 1165Cb 0.17 -1.61 0.06 0.00 0.52 0.00 0.00 34.95 34.09 1qr6 s ARG 1165CO 0.74 -1.27 0.67 0.42 0.02 0.00 0.00 175.30 175.88 1qr6 s ILE 1166N 0.46 4.81 0.00 1.52 -1.09 0.27 -4.49 121.20 122.69 1qr6 s ILE 1166Ca 0.24 -0.52 0.00 0.00 -2.23 0.00 0.00 60.65 58.14 1qr6 s ILE 1166Cb -0.13 -4.36 0.00 0.00 -1.58 0.00 0.00 42.46 36.40 1qr6 s ILE 1166CO -0.08 -0.90 0.00 0.18 -1.23 0.00 0.00 174.94 172.91 1qr6 n LEU 1167N 6.34 0.00 -0.97 2.97 4.77 -1.26 -0.23 117.00 128.61 1qr6 n LEU 1167Ca -0.06 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.02 1qr6 n LEU 1167Cb 0.45 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.70 1qr6 n LEU 1167CO 0.56 0.00 0.64 0.61 -1.33 0.00 0.00 177.39 177.87 1qr6 n GLY 1168N 0.00 1.34 0.20 -0.72 0.00 -1.26 -4.37 105.19 100.38 1qr6 n GLY 1168Ca 0.00 -0.64 0.14 0.00 0.00 0.00 0.00 46.02 45.52 1qr6 n GLY 1168CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qr6 h LEU 1169N 4.02 0.00 0.00 0.99 4.07 -1.00 -3.49 115.31 119.89 1qr6 h LEU 1169Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1qr6 h LEU 1169Cb 0.90 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.64 1qr6 h LEU 1169CO 0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.97 1qr6 n GLY 1170N 0.73 -0.40 3.59 0.83 0.00 -1.17 -4.78 105.19 103.99 1qr6 n GLY 1170Ca 0.03 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 1qr6 n GLY 1170CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qr6 s ASP 1171N -4.00 6.45 -0.01 1.61 -1.08 -1.01 -0.57 116.67 118.07 1qr6 s ASP 1171Ca 0.00 0.38 0.13 0.00 -0.52 0.00 0.00 52.55 52.54 1qr6 s ASP 1171Cb 0.00 -2.55 0.39 0.00 -1.46 0.00 0.00 42.92 39.30 1qr6 s ASP 1171CO 0.00 -1.43 1.33 0.18 0.52 0.00 0.00 175.17 175.77 1qr6 n LEU 1172N 8.47 3.20 0.00 -1.34 4.77 -0.61 -4.41 117.00 127.08 1qr6 n LEU 1172Ca 0.12 -2.03 0.00 0.00 -0.03 0.00 0.00 56.01 54.06 1qr6 n LEU 1172Cb 0.49 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1qr6 n LEU 1172CO 0.71 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 178.17 1qr6 n GLY 1173N 0.74 3.34 0.00 -0.72 0.00 -1.21 -1.97 105.19 105.37 1qr6 n GLY 1173Ca 0.15 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 46.09 1qr6 n GLY 1173CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1qr6 n VAL 1174N 0.00 0.52 0.60 1.61 0.24 -1.26 -1.87 118.33 118.17 1qr6 n VAL 1174Ca 0.00 0.13 0.12 0.00 -2.04 0.00 0.00 64.34 62.55 1qr6 n VAL 1174Cb 0.00 -0.84 0.46 0.00 -1.47 0.00 0.00 33.84 31.99 1qr6 n VAL 1174CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1qr6 n TYR 1175N -1.32 0.61 -0.50 6.34 0.53 -0.83 -4.68 117.16 117.31 1qr6 n TYR 1175Ca 0.08 0.21 -0.23 0.00 -1.02 0.00 0.00 57.90 56.93 1qr6 n TYR 1175Cb 0.15 -0.83 -0.04 0.00 -1.03 0.00 0.00 39.34 37.59 1qr6 n TYR 1175CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1qr6 n GLY 1176N 0.74 1.93 3.62 2.72 0.00 -0.78 -4.60 105.19 108.83 1qr6 n GLY 1176Ca 0.04 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1qr6 n GLY 1176CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qr6 n GLY 1178N 4.26 0.00 0.28 -0.02 0.00 -1.26 -4.10 105.19 104.34 1qr6 n GLY 1178Ca 0.30 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.22 1qr6 n GLY 1178CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1qr6 h ILE 1179N 0.00 0.00 -0.91 -0.61 1.08 -1.90 -2.38 117.51 112.80 1qr6 h ILE 1179Ca 0.00 -0.46 0.13 0.00 -0.39 0.00 0.00 64.86 64.14 1qr6 h ILE 1179Cb 0.00 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 33.68 1qr6 h ILE 1179CO 0.00 0.00 0.58 -0.65 -0.69 0.00 0.00 178.15 177.39 1qr6 h PRO 1180N -1.11 0.74 0.27 2.37 0.11 -1.88 0.10 132.00 132.61 1qr6 h PRO 1180Ca -0.07 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 1qr6 h PRO 1180Cb 0.50 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.42 1qr6 h PRO 1180CO 0.11 0.49 -0.24 0.28 -0.21 0.00 0.00 178.00 178.43 1qr6 h VAL 1181N 0.76 0.49 -0.53 3.15 2.07 -1.91 0.87 116.25 121.17 1qr6 h VAL 1181Ca 0.45 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.89 1qr6 h VAL 1181Cb 0.64 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1qr6 h VAL 1181CO -0.21 0.00 0.02 1.23 0.02 0.00 0.00 177.57 178.63 1qr6 h GLY 1182N -0.53 0.95 0.96 2.17 0.00 -0.80 -1.91 103.07 103.92 1qr6 h GLY 1182Ca -0.01 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 46.67 1qr6 h GLY 1182CO -0.03 0.60 0.14 1.70 0.00 0.00 0.00 176.54 178.95 1qr6 h LYS 1183N 0.82 0.33 0.00 4.80 3.64 -0.51 -1.64 116.57 124.02 1qr6 h LYS 1183Ca 0.16 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1qr6 h LYS 1183Cb 0.47 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1qr6 h LYS 1183CO 0.02 0.28 -0.09 -0.07 -2.27 0.00 0.00 179.45 177.32 1qr6 h LEU 1184N 0.29 0.00 -1.36 5.20 -0.00 -0.67 0.01 115.31 118.78 1qr6 h LEU 1184Ca 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.94 1qr6 h LEU 1184Cb 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.68 1qr6 h LEU 1184CO -0.02 0.09 0.15 0.00 -0.00 0.00 0.00 178.44 178.67 1qr6 h LEU 1186N 0.59 0.01 -0.61 0.00 3.38 -0.80 -1.29 115.31 116.58 1qr6 h LEU 1186Ca 0.14 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.21 1qr6 h LEU 1186Cb 0.14 -0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.81 1qr6 h LEU 1186CO -0.01 1.01 0.19 1.88 0.09 0.00 0.00 178.44 181.59 1qr6 h TYR 1187N 0.00 0.32 0.01 1.13 -1.99 -0.97 0.59 116.97 116.06 1qr6 h TYR 1187Ca -0.11 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.65 1qr6 h TYR 1187Cb 1.86 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 40.54 1qr6 h TYR 1187CO 0.00 0.04 -0.01 1.15 -0.00 0.00 0.00 178.16 179.34 1qr6 h THR 1188N 0.34 1.51 -0.88 -2.88 2.02 -1.51 -1.95 112.91 109.56 1qr6 h THR 1188Ca 0.32 -1.71 -0.01 0.00 0.77 0.00 0.00 66.41 65.77 1qr6 h THR 1188Cb 0.43 2.65 -0.04 0.00 -1.74 0.00 0.00 68.15 69.45 1qr6 h THR 1188CO -0.35 0.43 0.51 0.00 0.37 0.00 0.00 175.52 176.48 1qr6 h ALA 1189N 0.17 1.12 0.04 6.16 0.00 -0.99 -0.80 119.26 124.96 1qr6 h ALA 1189Ca -0.00 -0.11 -0.32 0.00 0.00 0.00 0.00 54.91 54.48 1qr6 h ALA 1189Cb 0.73 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1qr6 h ALA 1189CO 0.00 0.60 -1.76 0.00 0.00 0.00 0.00 179.25 178.10 1qr6 h ALA 1191N -0.37 0.60 0.00 0.00 0.00 -1.44 -3.41 119.26 114.65 1qr6 h ALA 1191Ca -0.44 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.00 1qr6 h ALA 1191Cb 1.61 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1qr6 h ALA 1191CO -0.15 0.52 0.00 0.41 0.00 0.00 0.00 179.25 180.03 1qr6 n GLY 1192N 1.29 0.62 3.73 0.00 0.00 -0.30 -4.84 105.19 105.70 1qr6 n GLY 1192Ca -0.05 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 1qr6 n GLY 1192CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qr6 s ILE 1193N -2.00 3.91 0.12 -0.61 1.01 -1.19 -1.17 121.20 121.28 1qr6 s ILE 1193Ca 0.00 1.56 -0.31 0.00 0.00 0.00 0.00 60.65 61.89 1qr6 s ILE 1193Cb 0.00 -4.00 -0.11 0.00 0.01 0.00 0.00 42.46 38.37 1qr6 s ILE 1193CO 0.00 0.22 1.84 0.54 0.00 0.00 0.00 174.94 177.54 1qr6 n ARG 1194N 2.83 2.77 -0.25 2.79 1.74 -1.26 -4.05 116.66 121.23 1qr6 n ARG 1194Ca 0.05 1.01 -0.00 0.00 -0.77 0.00 0.00 57.85 58.13 1qr6 n ARG 1194Cb 0.46 -2.90 0.12 0.00 -1.02 0.00 0.00 32.46 29.11 1qr6 n ARG 1194CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1qr6 h PRO 1195N 8.56 0.71 0.00 5.56 0.11 -1.95 -1.79 132.00 143.20 1qr6 h PRO 1195Ca -0.46 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 1qr6 h PRO 1195Cb 1.22 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1qr6 h PRO 1195CO 0.95 0.47 -0.08 0.38 -0.21 0.00 0.00 178.00 179.51 1qr6 h ASP 1196N 0.73 0.00 -0.41 -2.05 2.03 -1.96 -1.70 116.42 113.06 1qr6 h ASP 1196Ca 0.33 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.63 1qr6 h ASP 1196Cb 0.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.72 1qr6 h ASP 1196CO -0.20 0.08 0.00 0.54 -1.03 0.00 0.00 179.24 178.63 1qr6 n ARG 1197N -3.35 2.05 -4.35 4.15 1.74 -0.68 -4.68 116.66 111.54 1qr6 n ARG 1197Ca -0.01 -1.62 -0.35 0.00 -0.77 0.00 0.00 57.85 55.10 1qr6 n ARG 1197Cb 0.26 -1.38 -0.10 0.00 -1.02 0.00 0.00 32.46 30.22 1qr6 n ARG 1197CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qr6 s LEU 1199N -0.66 0.93 0.04 0.00 2.96 -0.29 -4.98 118.68 116.69 1qr6 s LEU 1199Ca 0.11 -0.50 -0.23 0.00 -0.22 0.00 0.00 54.13 53.28 1qr6 s LEU 1199Cb -0.12 -0.54 -0.06 0.00 0.50 0.00 0.00 46.19 45.98 1qr6 s LEU 1199CO 0.02 -0.25 0.71 -2.16 -1.32 0.00 0.00 176.35 173.35 1qr6 s PRO 1200N 1.90 4.44 0.02 0.98 0.05 -1.26 -2.14 135.00 138.99 1qr6 s PRO 1200Ca 0.02 0.96 0.04 0.00 0.05 0.00 0.00 61.00 62.06 1qr6 s PRO 1200Cb -0.15 -3.34 -0.02 0.00 0.05 0.00 0.00 34.50 31.04 1qr6 s PRO 1200CO -0.07 0.35 -0.11 0.08 0.05 0.00 0.00 177.00 177.31 1qr6 s VAL 1201N -0.25 0.83 -0.08 -0.36 1.01 0.14 -1.23 120.40 120.45 1qr6 s VAL 1201Ca 0.36 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 1qr6 s VAL 1201Cb -0.20 -0.77 0.03 0.00 0.00 0.00 0.00 36.38 35.44 1qr6 s VAL 1201CO 0.21 -0.01 -0.04 0.00 0.00 0.00 0.00 175.10 175.26 1qr6 s ILE 1203N 1.70 5.14 -0.54 0.00 1.01 -0.19 -2.07 121.20 126.25 1qr6 s ILE 1203Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 60.65 60.50 1qr6 s ILE 1203Cb -0.13 -3.87 0.09 0.00 0.01 0.00 0.00 42.46 38.56 1qr6 s ILE 1203CO -0.05 -0.16 0.60 -0.62 0.00 0.00 0.00 174.94 174.70 1qr6 s ASP 1204N 1.75 6.19 0.00 3.58 -1.08 0.13 -4.43 116.67 122.81 1qr6 s ASP 1204Ca 0.12 -1.37 0.12 0.00 -0.52 0.00 0.00 52.55 50.90 1qr6 s ASP 1204Cb -0.17 -2.26 0.26 0.00 -1.46 0.00 0.00 42.92 39.30 1qr6 s ASP 1204CO 0.12 -0.94 1.16 1.33 0.52 0.00 0.00 175.17 177.36 1qr6 n VAL 1205N 5.45 0.69 0.00 1.11 0.24 -1.26 -1.21 118.33 123.35 1qr6 n VAL 1205Ca -0.10 -0.84 0.00 0.00 -2.04 0.00 0.00 64.34 61.35 1qr6 n VAL 1205Cb 0.43 0.74 0.00 0.00 -1.47 0.00 0.00 33.84 33.53 1qr6 n VAL 1205CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qr6 n GLY 1206N 0.65 1.63 3.01 7.63 0.00 -1.26 -0.90 105.19 115.95 1qr6 n GLY 1206Ca 0.11 -2.24 -0.15 0.00 0.00 0.00 0.00 46.02 43.73 1qr6 n GLY 1206CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1qr6 s THR 1207N -1.46 0.52 -1.30 2.61 -1.32 0.15 -4.19 115.64 110.65 1qr6 s THR 1207Ca 0.00 -0.56 0.23 0.00 -1.21 0.00 0.00 61.69 60.15 1qr6 s THR 1207Cb 0.00 -0.49 -0.04 0.00 -1.51 0.00 0.00 72.50 70.46 1qr6 s THR 1207CO 0.00 -0.05 1.19 0.47 -2.21 0.00 0.00 174.62 174.02 1qr6 n ASP 1208N 2.40 1.03 -4.56 8.08 9.92 -1.26 -3.25 116.55 128.90 1qr6 n ASP 1208Ca -0.16 -0.85 -0.41 0.00 -0.53 0.00 0.00 54.79 52.84 1qr6 n ASP 1208Cb 0.57 0.55 -0.03 0.00 -0.64 0.00 0.00 41.12 41.57 1qr6 n ASP 1208CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1qr6 s ASN 1209N -2.83 5.97 0.38 -2.24 3.84 -1.26 -4.87 114.94 113.92 1qr6 s ASN 1209Ca 0.13 -0.03 0.10 0.00 0.21 0.00 0.00 52.86 53.28 1qr6 s ASN 1209Cb 0.17 -2.55 0.88 0.00 -0.55 0.00 0.00 41.25 39.20 1qr6 s ASN 1209CO 0.71 -1.90 1.92 -0.29 -2.79 0.00 0.00 177.10 174.76 1qr6 h ILE 1210N 6.33 0.89 -0.15 -5.21 6.09 -1.94 -1.71 117.51 121.81 1qr6 h ILE 1210Ca -0.27 -0.21 0.04 0.00 -1.37 0.00 0.00 64.86 63.05 1qr6 h ILE 1210Cb 1.09 0.23 -0.04 0.00 0.47 0.00 0.00 36.82 38.56 1qr6 h ILE 1210CO 1.23 0.11 -0.12 0.00 -3.07 0.00 0.00 178.15 176.30 1qr6 h ALA 1211N 1.62 -0.01 -0.09 0.18 0.00 -1.98 -1.65 119.26 117.33 1qr6 h ALA 1211Ca 0.36 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1qr6 h ALA 1211Cb 0.58 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1qr6 h ALA 1211CO -0.13 -0.57 0.06 -0.07 0.00 0.00 0.00 179.25 178.54 1qr6 h LEU 1212N -0.14 0.10 -1.39 0.00 3.38 -1.72 -2.75 115.31 112.79 1qr6 h LEU 1212Ca 0.09 -0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.19 1qr6 h LEU 1212Cb 0.28 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 1qr6 h LEU 1212CO -0.23 0.08 0.54 -0.07 0.09 0.00 0.00 178.44 178.85 1qr6 h LEU 1213N 0.11 0.56 -0.51 1.67 3.38 -1.07 -1.10 115.31 118.36 1qr6 h LEU 1213Ca 0.03 0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.87 1qr6 h LEU 1213Cb -0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1qr6 h LEU 1213CO -0.01 0.29 -0.72 0.11 0.09 0.00 0.00 178.44 178.21 1qr6 h LYS 1214N 0.60 0.16 -6.39 1.13 6.56 -1.06 -3.45 116.57 114.13 1qr6 h LYS 1214Ca 0.41 -0.14 -0.53 0.00 -1.06 0.00 0.00 60.65 59.33 1qr6 h LYS 1214Cb 0.73 0.03 0.02 0.00 -0.57 0.00 0.00 32.23 32.44 1qr6 h LYS 1214CO -0.17 0.81 1.10 0.34 -2.06 0.00 0.00 179.45 179.48 1qr6 s ASP 1215N -6.89 6.55 0.00 0.86 -1.08 -0.42 -4.87 116.67 110.82 1qr6 s ASP 1215Ca -0.03 2.52 0.23 0.00 -0.52 0.00 0.00 52.55 54.76 1qr6 s ASP 1215Cb 0.11 -2.55 1.11 0.00 -1.46 0.00 0.00 42.92 40.13 1qr6 s ASP 1215CO 0.80 -0.96 1.76 -0.81 0.52 0.00 0.00 175.17 176.48 1qr6 n PRO 1216N 6.50 0.20 -0.60 4.34 -0.05 -1.26 -2.35 135.00 141.77 1qr6 n PRO 1216Ca 0.18 0.08 0.08 0.00 -0.05 0.00 0.00 63.50 63.79 1qr6 n PRO 1216Cb 0.41 -1.50 0.31 0.00 -0.05 0.00 0.00 33.50 32.67 1qr6 n PRO 1216CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 1qr6 n PHE 1217N -1.37 1.36 0.00 0.54 3.72 -1.26 -5.14 117.46 115.31 1qr6 n PHE 1217Ca 0.09 -0.79 0.00 0.00 -0.05 0.00 0.00 57.45 56.70 1qr6 n PHE 1217Cb 0.22 -0.37 0.00 0.00 -0.94 0.00 0.00 39.48 38.39 1qr6 n PHE 1217CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1qr6 n TYR 1218N 0.05 -0.16 -1.53 1.38 -0.00 -0.99 -4.86 117.16 111.05 1qr6 n TYR 1218Ca 0.23 0.00 0.01 0.00 -0.00 0.00 0.00 57.90 58.15 1qr6 n TYR 1218Cb 0.98 0.00 -0.00 0.00 -0.00 0.00 0.00 39.34 40.32 1qr6 n TYR 1218CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1qr6 n GLY 1220N 3.80 -0.37 3.68 2.98 0.00 -1.26 -5.05 105.19 108.97 1qr6 n GLY 1220Ca 0.00 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1qr6 n GLY 1220CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qr6 s LEU 1221N 0.00 4.34 -1.29 0.99 1.02 -1.26 -4.90 118.68 117.58 1qr6 s LEU 1221Ca 0.00 2.31 -0.17 0.00 0.02 0.00 0.00 54.13 56.29 1qr6 s LEU 1221Cb 0.00 -3.55 0.09 0.00 0.02 0.00 0.00 46.19 42.75 1qr6 s LEU 1221CO 0.00 -0.86 1.70 -1.22 0.02 0.00 0.00 176.35 175.99 1qr6 n TYR 1222N 6.07 4.66 -3.49 0.29 4.02 -1.26 -4.37 117.16 123.07 1qr6 n TYR 1222Ca 0.16 -2.96 -0.11 0.00 -0.01 0.00 0.00 57.90 54.97 1qr6 n TYR 1222Cb 0.42 -2.52 -0.03 0.00 -0.02 0.00 0.00 39.34 37.19 1qr6 n TYR 1222CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 1qr6 s GLN 1223N 3.51 0.96 0.25 -0.72 -2.07 -1.26 -5.07 119.66 115.26 1qr6 s GLN 1223Ca 0.51 -0.22 -0.30 0.00 -1.82 0.00 0.00 55.36 53.53 1qr6 s GLN 1223Cb 0.03 0.44 -0.09 0.00 -1.09 0.00 0.00 33.01 32.30 1qr6 s GLN 1223CO 0.05 -0.39 1.01 0.15 -1.32 0.00 0.00 175.29 174.79 1qr6 s LYS 1224N -2.79 4.76 -0.42 9.60 1.02 -1.25 0.33 119.74 130.99 1qr6 s LYS 1224Ca 0.01 1.62 -0.38 0.00 0.02 0.00 0.00 55.97 57.24 1qr6 s LYS 1224Cb -0.01 -3.24 -0.16 0.00 -0.52 0.00 0.00 37.83 33.89 1qr6 s LYS 1224CO -0.06 0.38 1.60 0.54 -0.92 0.00 0.00 175.35 176.88 1qr6 n ARG 1225N 1.41 0.00 -2.09 1.68 1.74 -1.20 -4.52 116.66 113.68 1qr6 n ARG 1225Ca -0.01 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.64 1qr6 n ARG 1225Cb 0.46 -1.26 -0.03 0.00 -1.02 0.00 0.00 32.46 30.61 1qr6 n ARG 1225CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1qr6 s ASP 1226N 3.92 6.73 0.00 0.55 -1.08 -0.07 -4.86 116.67 121.86 1qr6 s ASP 1226Ca 0.95 2.20 0.07 0.00 -0.52 0.00 0.00 52.55 55.26 1qr6 s ASP 1226Cb -1.26 -2.55 0.08 0.00 -1.46 0.00 0.00 42.92 37.74 1qr6 s ASP 1226CO 0.61 -0.85 0.81 0.54 0.52 0.00 0.00 175.17 176.81 1qr6 n ARG 1227N 6.31 0.54 -0.71 4.34 1.74 -1.26 -4.72 116.66 122.89 1qr6 n ARG 1227Ca 0.16 -1.10 -0.25 0.00 -0.77 0.00 0.00 57.85 55.88 1qr6 n ARG 1227Cb 0.43 -1.15 0.22 0.00 -1.02 0.00 0.00 32.46 30.94 1qr6 n ARG 1227CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1qr6 n THR 1228N 0.37 0.00 0.24 0.55 -2.24 -1.26 -4.82 114.28 107.12 1qr6 n THR 1228Ca 0.05 -0.31 0.08 0.00 -2.27 0.00 0.00 64.05 61.60 1qr6 n THR 1228Cb 0.22 -1.11 0.59 0.00 -2.10 0.00 0.00 70.33 67.93 1qr6 n THR 1228CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1qr6 h GLN 1229N 0.00 0.00 -0.83 -0.78 5.75 -2.01 -1.24 115.11 116.00 1qr6 h GLN 1229Ca -0.34 0.00 0.17 0.00 -0.15 0.00 0.00 58.65 58.33 1qr6 h GLN 1229Cb 1.08 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.57 1qr6 h GLN 1229CO 0.22 0.13 0.55 1.96 -2.65 0.00 0.00 178.83 179.05 1qr6 h GLN 1230N 0.00 0.43 -0.17 1.69 4.20 -1.97 0.10 115.11 119.39 1qr6 h GLN 1230Ca -0.00 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1qr6 h GLN 1230Cb 0.26 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1qr6 h GLN 1230CO 0.02 0.29 0.09 -0.92 -0.67 0.00 0.00 178.83 177.63 1qr6 h TYR 1231N 0.45 0.25 -0.43 2.96 3.20 -1.51 -0.81 116.97 121.08 1qr6 h TYR 1231Ca 0.42 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.24 1qr6 h TYR 1231Cb 0.97 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 1qr6 h TYR 1231CO -0.00 0.26 0.11 -0.44 -1.64 0.00 0.00 178.16 176.45 1qr6 h ASP 1232N 0.16 0.65 -0.35 -2.11 3.45 -1.14 -2.67 116.42 114.42 1qr6 h ASP 1232Ca 0.06 -0.23 -0.04 0.00 0.43 0.00 0.00 57.03 57.25 1qr6 h ASP 1232Cb 0.10 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.68 1qr6 h ASP 1232CO -0.01 0.70 0.08 0.44 -1.57 0.00 0.00 179.24 178.89 1qr6 h ASP 1233N 0.56 0.60 -0.57 6.45 3.32 -1.04 -1.95 116.42 123.79 1qr6 h ASP 1233Ca 0.14 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 1qr6 h ASP 1233Cb 0.30 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1qr6 h ASP 1233CO -0.00 0.61 0.01 0.25 -1.72 0.00 0.00 179.24 178.39 1qr6 h LEU 1234N 0.63 1.00 -0.62 1.55 5.85 -0.95 0.53 115.31 123.30 1qr6 h LEU 1234Ca 0.14 -0.27 -0.12 0.00 0.84 0.00 0.00 57.88 58.46 1qr6 h LEU 1234Cb 0.27 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1qr6 h LEU 1234CO 0.00 1.05 -0.24 0.40 -0.34 0.00 0.00 178.44 179.31 1qr6 h ILE 1235N 0.94 1.27 0.42 4.05 1.08 -1.14 -0.24 117.51 123.90 1qr6 h ILE 1235Ca 0.17 -1.37 -0.02 0.00 -0.39 0.00 0.00 64.86 63.25 1qr6 h ILE 1235Cb 0.53 1.20 0.00 0.00 -3.07 0.00 0.00 36.82 35.49 1qr6 h ILE 1235CO 0.03 0.46 -0.20 0.44 -0.69 0.00 0.00 178.15 178.19 1qr6 h ASP 1236N 0.73 -0.48 -0.40 1.72 3.32 -1.01 -2.96 116.42 117.34 1qr6 h ASP 1236Ca 0.10 -0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.21 1qr6 h ASP 1236Cb 0.77 0.12 -0.08 0.00 0.22 0.00 0.00 39.33 40.37 1qr6 h ASP 1236CO 0.06 -0.30 -0.11 -0.08 -1.72 0.00 0.00 179.24 177.09 1qr6 h GLU 1237N -0.62 -0.02 -1.40 3.56 4.81 -0.75 -0.13 114.58 120.03 1qr6 h GLU 1237Ca -0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1qr6 h GLU 1237Cb 0.46 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1qr6 h GLU 1237CO 0.09 -0.01 0.00 0.34 -0.73 0.00 0.00 179.01 178.70 1qr6 n PHE 1238N -5.32 0.00 0.00 0.92 7.35 -0.11 0.36 117.46 120.65 1qr6 n PHE 1238Ca 0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.71 1qr6 n PHE 1238Cb 0.23 -0.07 0.00 0.00 0.35 0.00 0.00 39.48 39.99 1qr6 n PHE 1238CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1qr6 n LYS 1240N 0.85 0.00 -0.27 -4.13 4.81 -0.06 -1.55 118.16 117.81 1qr6 n LYS 1240Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.47 1qr6 n LYS 1240Cb 0.00 0.00 0.16 0.00 0.02 0.00 0.00 35.03 35.21 1qr6 n LYS 1240CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1qr6 h ALA 1241N 0.00 1.10 -0.36 3.14 0.00 -0.34 0.13 119.26 122.93 1qr6 h ALA 1241Ca 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1qr6 h ALA 1241Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1qr6 h ALA 1241CO 0.00 0.03 0.07 0.82 0.00 0.00 0.00 179.25 180.17 1qr6 h ILE 1242N 0.70 1.23 -0.30 0.00 1.08 -1.51 -2.75 117.51 115.96 1qr6 h ILE 1242Ca 0.38 -0.81 -0.18 0.00 -0.39 0.00 0.00 64.86 63.87 1qr6 h ILE 1242Cb 0.38 1.07 -0.00 0.00 -3.07 0.00 0.00 36.82 35.20 1qr6 h ILE 1242CO -0.26 0.27 -0.51 0.71 -0.69 0.00 0.00 178.15 177.67 1qr6 h THR 1243N 0.43 1.28 -0.69 -0.27 1.35 -1.62 0.47 112.91 113.87 1qr6 h THR 1243Ca 0.11 -1.69 0.10 0.00 -0.55 0.00 0.00 66.41 64.37 1qr6 h THR 1243Cb 0.33 1.58 -0.07 0.00 -1.73 0.00 0.00 68.15 68.26 1qr6 h THR 1243CO 0.00 0.55 0.32 0.44 -0.25 0.00 0.00 175.52 176.59 1qr6 h ASP 1244N 0.67 0.39 0.26 5.36 3.32 -0.71 0.98 116.42 126.70 1qr6 h ASP 1244Ca 0.03 0.07 -0.34 0.00 0.02 0.00 0.00 57.03 56.80 1qr6 h ASP 1244Cb 1.11 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1qr6 h ASP 1244CO 0.11 0.22 -1.71 -0.09 -1.72 0.00 0.00 179.24 176.05 1qr6 h ARG 1245N 0.54 0.35 0.00 3.56 2.43 -1.46 -3.40 114.38 116.40 1qr6 h ARG 1245Ca 0.34 -0.59 -0.01 0.00 -0.81 0.00 0.00 59.98 58.91 1qr6 h ARG 1245Cb 0.39 0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1qr6 h ARG 1245CO -0.29 1.25 -1.92 0.66 -1.51 0.00 0.00 179.97 178.16 1qr6 n TYR 1246N -3.54 0.00 0.00 2.20 4.02 0.15 -5.04 117.16 114.95 1qr6 n TYR 1246Ca -0.23 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.66 1qr6 n TYR 1246Cb 1.07 -0.47 0.00 0.00 -0.02 0.00 0.00 39.34 39.92 1qr6 n TYR 1246CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1qr6 n GLY 1247N 1.37 4.14 0.24 2.72 0.00 0.34 -4.74 105.19 109.26 1qr6 n GLY 1247Ca -0.04 -1.44 0.12 0.00 0.00 0.00 0.00 46.02 44.66 1qr6 n GLY 1247CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1qr6 h ARG 1248N 0.00 0.00 -0.27 1.61 -0.00 -1.93 -2.74 114.38 111.05 1qr6 h ARG 1248Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1qr6 h ARG 1248Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 1qr6 h ARG 1248CO 0.00 0.17 0.00 0.27 0.00 0.00 0.00 179.97 180.41 1qr6 n ASN 1249N -3.43 2.33 -4.68 7.04 6.94 -1.26 -3.98 115.26 118.21 1qr6 n ASN 1249Ca -0.00 -1.84 -0.42 0.00 -0.02 0.00 0.00 54.58 52.30 1qr6 n ASN 1249Cb 0.36 -0.17 -0.03 0.00 -2.36 0.00 0.00 39.78 37.58 1qr6 n ASN 1249CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1qr6 s THR 1250N -1.66 2.78 -0.02 5.53 2.01 -1.03 -4.78 115.64 118.47 1qr6 s THR 1250Ca 0.34 0.17 -0.30 0.00 0.31 0.00 0.00 61.69 62.21 1qr6 s THR 1250Cb 0.19 -3.11 -0.06 0.00 0.01 0.00 0.00 72.50 69.52 1qr6 s THR 1250CO 0.27 -0.00 1.65 -0.22 -0.69 0.00 0.00 174.62 175.63 1qr6 s LEU 1251N 3.09 4.34 -0.23 4.42 2.96 -0.92 -4.32 118.68 128.02 1qr6 s LEU 1251Ca 0.80 2.30 0.01 0.00 -0.22 0.00 0.00 54.13 57.03 1qr6 s LEU 1251Cb -0.43 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 42.77 1qr6 s LEU 1251CO 0.36 -0.91 -0.10 -0.63 -1.32 0.00 0.00 176.35 173.75 1qr6 s ILE 1252N 3.68 1.79 -0.23 6.68 1.01 0.32 -0.21 121.20 134.25 1qr6 s ILE 1252Ca 0.74 -1.25 -0.05 0.00 0.00 0.00 0.00 60.65 60.09 1qr6 s ILE 1252Cb -0.35 -1.91 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 1qr6 s ILE 1252CO 0.31 0.06 -0.00 -1.58 0.00 0.00 0.00 174.94 173.72 1qr6 s GLN 1253N 1.30 3.49 0.43 2.79 0.74 0.08 -2.51 119.66 125.99 1qr6 s GLN 1253Ca -0.04 -0.56 -0.22 0.00 0.05 0.00 0.00 55.36 54.58 1qr6 s GLN 1253Cb -0.18 -3.12 -0.10 0.00 1.10 0.00 0.00 33.01 30.71 1qr6 s GLN 1253CO -0.07 -0.17 0.99 -0.06 -0.55 0.00 0.00 175.29 175.43 1qr6 s PHE 1254N 1.48 3.26 -0.13 1.67 0.40 -0.36 -0.66 117.98 123.63 1qr6 s PHE 1254Ca 0.06 1.63 -0.07 0.00 -0.60 0.00 0.00 56.93 57.94 1qr6 s PHE 1254Cb -0.15 -2.96 0.05 0.00 0.51 0.00 0.00 43.02 40.47 1qr6 s PHE 1254CO -0.00 -0.36 0.32 -2.00 0.70 0.00 0.00 175.22 173.87 1qr6 s GLU 1255N -2.96 0.29 -1.25 0.44 2.56 0.21 -3.19 118.70 114.81 1qr6 s GLU 1255Ca 0.62 0.63 -0.12 0.00 0.00 0.00 0.00 54.97 56.09 1qr6 s GLU 1255Cb -0.14 -0.06 -0.01 0.00 2.00 0.00 0.00 34.13 35.93 1qr6 s GLU 1255CO 0.18 -0.15 0.66 -0.25 -0.56 0.00 0.00 175.26 175.14 1qr6 n ASP 1256N 4.13 -3.16 -0.02 -1.70 8.00 -1.26 -3.98 116.55 118.55 1qr6 n ASP 1256Ca -0.23 -0.99 -0.04 0.00 0.71 0.00 0.00 54.79 54.24 1qr6 n ASP 1256Cb 0.54 -3.36 -0.13 0.00 -0.02 0.00 0.00 41.12 38.16 1qr6 n ASP 1256CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1qr6 n PHE 1257N -4.27 0.61 0.00 1.24 3.01 -1.26 -2.89 117.46 113.90 1qr6 n PHE 1257Ca -0.19 0.21 0.00 0.00 1.01 0.00 0.00 57.45 58.48 1qr6 n PHE 1257Cb 0.63 -1.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.08 1qr6 n PHE 1257CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qr6 n GLY 1258N 1.52 1.54 0.00 1.37 0.00 -1.26 -4.62 105.19 103.74 1qr6 n GLY 1258Ca -0.17 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1qr6 n GLY 1258CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qr6 n ASN 1259N 0.00 0.00 -0.14 1.61 4.13 -1.26 -0.68 115.26 118.92 1qr6 n ASN 1259Ca 0.00 0.00 -0.03 0.00 1.68 0.00 0.00 54.58 56.23 1qr6 n ASN 1259Cb 0.00 0.00 0.05 0.00 -1.54 0.00 0.00 39.78 38.29 1qr6 n ASN 1259CO 0.00 0.00 0.00 -0.74 0.28 0.00 0.00 177.26 176.80 1qr6 h HIS 1260N 0.00 0.20 -0.19 3.10 2.76 -2.00 -1.67 115.15 117.34 1qr6 h HIS 1260Ca 0.00 0.03 -0.16 0.00 -2.20 0.00 0.00 60.37 58.04 1qr6 h HIS 1260Cb 0.00 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 1qr6 h HIS 1260CO 0.00 0.03 -0.53 -0.91 -1.30 0.00 0.00 177.93 175.22 1qr6 h ASN 1261N 0.26 0.62 -0.40 3.26 -0.26 -1.20 -2.68 115.58 115.18 1qr6 h ASN 1261Ca 0.22 -0.33 -0.05 0.00 -0.56 0.00 0.00 56.30 55.59 1qr6 h ASN 1261Cb 0.27 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.33 1qr6 h ASN 1261CO -0.27 1.04 0.10 0.00 -1.06 0.00 0.00 177.43 177.24 1qr6 h ALA 1262N 0.98 1.30 0.17 -0.83 0.00 -0.80 0.51 119.26 120.59 1qr6 h ALA 1262Ca 0.01 -0.19 -0.26 0.00 0.00 0.00 0.00 54.91 54.47 1qr6 h ALA 1262Cb 1.08 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 18.69 1qr6 h ALA 1262CO 0.10 0.49 -1.23 0.74 0.00 0.00 0.00 179.25 179.36 1qr6 h PHE 1263N 0.69 0.66 -0.14 0.00 -1.00 -1.33 -3.00 116.94 112.83 1qr6 h PHE 1263Ca 0.16 -0.48 -0.13 0.00 2.81 0.00 0.00 57.97 60.33 1qr6 h PHE 1263Cb 0.27 -0.03 -0.01 0.00 3.61 0.00 0.00 35.95 39.80 1qr6 h PHE 1263CO 0.01 1.47 -0.48 0.07 -1.61 0.00 0.00 178.31 177.78 1qr6 h ARG 1264N -0.17 0.35 0.00 1.51 0.11 -1.45 -2.27 114.38 112.46 1qr6 h ARG 1264Ca -0.23 -0.19 -0.19 0.00 0.10 0.00 0.00 59.98 59.47 1qr6 h ARG 1264Cb 1.86 0.01 -0.02 0.00 1.11 0.00 0.00 29.97 32.92 1qr6 h ARG 1264CO 0.17 0.76 -0.89 0.74 0.10 0.00 0.00 179.97 180.84 1qr6 h PHE 1265N 0.28 0.04 -0.31 4.08 0.05 -1.03 -0.42 116.94 119.62 1qr6 h PHE 1265Ca 0.01 -0.02 -0.03 0.00 3.82 0.00 0.00 57.97 61.75 1qr6 h PHE 1265Cb 0.95 -0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.89 1qr6 h PHE 1265CO 0.02 0.90 0.09 1.25 -0.18 0.00 0.00 178.31 180.39 1qr6 h LEU 1266N 0.01 0.45 -0.11 1.54 5.85 -1.39 -1.44 115.31 120.22 1qr6 h LEU 1266Ca -0.02 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.42 1qr6 h LEU 1266Cb 1.56 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.47 1qr6 h LEU 1266CO 0.12 0.55 -0.18 -0.09 -0.34 0.00 0.00 178.44 178.50 1qr6 h ARG 1267N 0.33 0.31 -0.50 1.25 2.43 -1.39 0.15 114.38 116.96 1qr6 h ARG 1267Ca 0.10 -0.19 0.11 0.00 -0.81 0.00 0.00 59.98 59.18 1qr6 h ARG 1267Cb 0.27 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 1qr6 h ARG 1267CO -0.00 0.77 0.35 -0.22 -1.51 0.00 0.00 179.97 179.36 1qr6 h LYS 1268N -0.11 0.21 0.00 0.20 3.64 -1.00 -3.28 116.57 116.23 1qr6 h LYS 1268Ca 0.01 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1qr6 h LYS 1268Cb 0.75 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1qr6 h LYS 1268CO 0.04 0.14 -1.44 0.66 -2.27 0.00 0.00 179.45 176.58 1qr6 n TYR 1269N -4.45 0.00 -0.33 1.91 0.53 -0.55 -4.65 117.16 109.62 1qr6 n TYR 1269Ca 0.08 0.00 0.26 0.00 -1.02 0.00 0.00 57.90 57.23 1qr6 n TYR 1269Cb 0.42 -0.27 0.50 0.00 -1.03 0.00 0.00 39.34 38.96 1qr6 n TYR 1269CO 0.00 0.00 0.00 0.07 -1.02 0.00 0.00 176.86 175.91 1qr6 h ARG 1270N 0.00 0.06 -0.04 -0.72 0.11 -1.02 0.59 114.38 113.36 1qr6 h ARG 1270Ca -0.10 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.98 1qr6 h ARG 1270Cb 0.88 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.95 1qr6 h ARG 1270CO 0.01 0.04 0.00 0.39 0.10 0.00 0.00 179.97 180.50 1qr6 n GLU 1271N -5.27 2.08 -0.08 0.08 -0.58 -1.26 -4.20 120.64 111.41 1qr6 n GLU 1271Ca 0.33 -1.57 -0.09 0.00 -0.42 0.00 0.00 57.16 55.42 1qr6 n GLU 1271Cb 1.11 -1.47 -0.10 0.00 -0.57 0.00 0.00 31.44 30.42 1qr6 n GLU 1271CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1qr6 n LYS 1272N 0.89 1.18 -4.44 3.49 4.81 0.17 -5.05 118.16 119.22 1qr6 n LYS 1272Ca 0.16 0.04 -0.24 0.00 -0.87 0.00 0.00 58.31 57.41 1qr6 n LYS 1272Cb 0.50 -1.35 -0.08 0.00 0.02 0.00 0.00 35.03 34.12 1qr6 n LYS 1272CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1qr6 s TYR 1273N -2.34 1.76 -1.18 5.64 1.51 0.91 -5.06 117.35 118.58 1qr6 s TYR 1273Ca -0.14 -1.42 -0.12 0.00 -1.01 0.00 0.00 57.07 54.38 1qr6 s TYR 1273Cb 0.05 -1.00 0.21 0.00 -0.11 0.00 0.00 41.96 41.10 1qr6 s TYR 1273CO 0.50 -0.50 1.34 0.00 -1.11 0.00 0.00 175.55 175.78 1qr6 s THR 1275N 0.62 1.13 -0.18 0.00 -1.32 -1.26 -0.52 115.64 114.11 1qr6 s THR 1275Ca 0.39 -2.04 -0.31 0.00 -1.21 0.00 0.00 61.69 58.52 1qr6 s THR 1275Cb -0.05 -2.46 0.14 0.00 -1.51 0.00 0.00 72.50 68.62 1qr6 s THR 1275CO -0.02 -0.24 1.14 0.72 -2.21 0.00 0.00 174.62 174.00 1qr6 s PHE 1276N -3.35 -0.21 -0.26 9.09 -0.12 -1.05 -4.43 117.98 117.65 1qr6 s PHE 1276Ca 0.31 0.26 -0.03 0.00 -0.05 0.00 0.00 56.93 57.42 1qr6 s PHE 1276Cb 0.06 0.49 0.03 0.00 -0.63 0.00 0.00 43.02 42.97 1qr6 s PHE 1276CO 0.11 -0.25 -0.03 1.21 -0.05 0.00 0.00 175.22 176.21 1qr6 s ASN 1277N -1.63 4.53 0.49 1.98 3.04 -1.26 -1.22 114.94 120.87 1qr6 s ASN 1277Ca 0.05 -0.89 0.20 0.00 0.04 0.00 0.00 52.86 52.26 1qr6 s ASN 1277Cb -0.01 -1.71 1.24 0.00 -1.54 0.00 0.00 41.25 39.24 1qr6 s ASN 1277CO -0.04 -0.15 2.06 -0.78 -3.04 0.00 0.00 177.10 175.14 1qr6 h ASP 1278N 8.05 0.00 -0.04 -4.21 3.58 -1.91 -1.54 116.42 120.34 1qr6 h ASP 1278Ca -0.31 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.07 1qr6 h ASP 1278Cb 1.11 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.14 1qr6 h ASP 1278CO 0.57 0.13 -0.18 0.44 -2.88 0.00 0.00 179.24 177.33 1qr6 h ASP 1279N 0.00 0.38 0.01 2.28 3.32 -1.95 -0.40 116.42 120.06 1qr6 h ASP 1279Ca -0.00 -0.10 -0.29 0.00 0.02 0.00 0.00 57.03 56.65 1qr6 h ASP 1279Cb 0.27 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 1qr6 h ASP 1279CO 0.02 0.57 -1.60 -0.38 -1.72 0.00 0.00 179.24 176.13 1qr6 n ILE 1280N -4.19 1.56 0.03 0.35 5.41 -1.02 -4.17 119.36 117.33 1qr6 n ILE 1280Ca -0.00 -0.17 -0.21 0.00 1.00 0.00 0.00 62.75 63.37 1qr6 n ILE 1280Cb 0.34 -1.97 -0.14 0.00 -0.71 0.00 0.00 39.64 37.16 1qr6 n ILE 1280CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1qr6 h GLN 1281N -0.86 0.29 -0.54 0.38 4.20 -1.37 -2.44 115.11 114.76 1qr6 h GLN 1281Ca -0.43 -0.49 -0.11 0.00 0.06 0.00 0.00 58.65 57.68 1qr6 h GLN 1281Cb 1.46 0.18 -0.02 0.00 0.30 0.00 0.00 27.48 29.40 1qr6 h GLN 1281CO -0.21 1.20 -0.10 0.78 -0.67 0.00 0.00 178.83 179.83 1qr6 h GLY 1282N 1.16 1.10 0.98 3.46 0.00 -1.24 -0.45 103.07 108.09 1qr6 h GLY 1282Ca -0.38 -0.87 -0.03 0.00 0.00 0.00 0.00 47.33 46.04 1qr6 h GLY 1282CO 0.12 0.80 -0.32 -0.84 0.00 0.00 0.00 176.54 176.30 1qr6 h THR 1283N 0.91 0.35 -1.00 4.70 2.02 -1.55 -0.71 112.91 117.62 1qr6 h THR 1283Ca 0.14 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.51 1qr6 h THR 1283Cb 0.66 0.35 -0.10 0.00 -1.74 0.00 0.00 68.15 67.32 1qr6 h THR 1283CO 0.05 0.00 0.61 0.00 0.37 0.00 0.00 175.52 176.55 1qr6 h ALA 1284N -0.50 1.70 0.02 6.16 0.00 -1.19 -1.52 119.26 123.92 1qr6 h ALA 1284Ca -0.08 0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 1qr6 h ALA 1284Cb 0.67 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1qr6 h ALA 1284CO 0.13 -0.06 -0.97 0.00 0.00 0.00 0.00 179.25 178.35 1qr6 h ALA 1285N 1.64 0.36 -0.44 0.00 0.00 -0.76 -1.73 119.26 118.33 1qr6 h ALA 1285Ca 0.57 -0.74 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1qr6 h ALA 1285Cb 0.90 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1qr6 h ALA 1285CO -0.36 0.87 -0.16 -0.39 0.00 0.00 0.00 179.25 179.20 1qr6 h VAL 1286N 0.17 1.27 0.44 0.00 -1.51 -0.45 -1.10 116.25 115.07 1qr6 h VAL 1286Ca -0.08 -1.30 -0.02 0.00 -1.23 0.00 0.00 66.70 64.07 1qr6 h VAL 1286Cb 1.62 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 31.96 1qr6 h VAL 1286CO 0.16 0.44 -0.21 0.00 -1.23 0.00 0.00 177.57 176.74 1qr6 h ALA 1287N 0.85 -0.58 -0.81 5.19 0.00 -1.33 -2.62 119.26 119.95 1qr6 h ALA 1287Ca 0.11 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 54.98 1qr6 h ALA 1287Cb 0.72 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 1qr6 h ALA 1287CO 0.05 -0.77 0.43 1.25 0.00 0.00 0.00 179.25 180.21 1qr6 h LEU 1288N -0.70 0.55 -1.60 0.00 5.85 -1.30 0.86 115.31 118.97 1qr6 h LEU 1288Ca -0.06 0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.84 1qr6 h LEU 1288Cb 0.51 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.48 1qr6 h LEU 1288CO 0.10 0.28 0.43 0.00 -0.34 0.00 0.00 178.44 178.90 1qr6 h ALA 1289N 1.50 2.01 0.15 1.25 0.00 -0.95 0.01 119.26 123.23 1qr6 h ALA 1289Ca 0.42 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 1qr6 h ALA 1289Cb 0.51 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1qr6 h ALA 1289CO -0.31 -0.15 -0.07 0.78 0.00 0.00 0.00 179.25 179.49 1qr6 h GLY 1290N 0.44 -0.21 0.92 0.00 0.00 -0.48 -2.57 103.07 101.17 1qr6 h GLY 1290Ca 0.30 0.08 0.15 0.00 0.00 0.00 0.00 47.33 47.85 1qr6 h GLY 1290CO -0.09 -0.08 0.40 1.41 0.00 0.00 0.00 176.54 178.18 1qr6 h LEU 1291N -0.78 0.00 -0.13 3.11 3.38 -0.85 -0.02 115.31 120.02 1qr6 h LEU 1291Ca -0.02 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.72 1qr6 h LEU 1291Cb 0.53 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1qr6 h LEU 1291CO 0.03 0.00 -0.99 -0.07 0.09 0.00 0.00 178.44 177.50 1qr6 h LEU 1292N 0.00 0.41 -0.60 1.67 3.38 -0.97 -2.65 115.31 116.54 1qr6 h LEU 1292Ca 0.24 -0.35 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 1qr6 h LEU 1292Cb 1.03 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1qr6 h LEU 1292CO -0.00 1.18 -0.56 0.00 0.09 0.00 0.00 178.44 179.15 1qr6 h ALA 1293N 0.78 0.84 0.41 1.53 0.00 -0.63 -2.86 119.26 119.34 1qr6 h ALA 1293Ca -0.08 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 1qr6 h ALA 1293Cb 1.65 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1qr6 h ALA 1293CO 0.16 0.70 -0.20 0.00 0.00 0.00 0.00 179.25 179.92 1qr6 h ALA 1294N 1.44 -0.55 -0.90 0.00 0.00 -1.14 -2.99 119.26 115.12 1qr6 h ALA 1294Ca -0.01 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 54.89 1qr6 h ALA 1294Cb 1.16 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 19.10 1qr6 h ALA 1294CO 0.07 -0.68 0.58 1.96 0.00 0.00 0.00 179.25 181.18 1qr6 h GLN 1295N -0.81 0.58 0.00 0.00 1.08 -1.48 0.95 115.11 115.44 1qr6 h GLN 1295Ca -0.06 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1qr6 h GLN 1295Cb 0.54 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1qr6 h GLN 1295CO 0.09 0.39 0.00 1.17 -0.95 0.00 0.00 178.83 179.53 1qr6 n LYS 1296N -4.57 0.00 -0.09 1.46 4.81 -1.08 -2.00 118.16 116.69 1qr6 n LYS 1296Ca 0.18 0.33 -0.19 0.00 -0.87 0.00 0.00 58.31 57.76 1qr6 n LYS 1296Cb 0.55 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 34.04 1qr6 n LYS 1296CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1qr6 n VAL 1297N -1.33 0.98 -3.01 3.15 0.31 0.32 -4.77 118.33 113.98 1qr6 n VAL 1297Ca 0.00 -0.25 -0.37 0.00 -0.01 0.00 0.00 64.34 63.71 1qr6 n VAL 1297Cb 0.00 -1.73 -0.01 0.00 -0.91 0.00 0.00 33.84 31.18 1qr6 n VAL 1297CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1qr6 n ILE 1298N -3.79 4.59 -1.30 2.52 2.08 -0.81 -4.99 119.36 117.67 1qr6 n ILE 1298Ca -0.35 -5.75 -0.08 0.00 0.56 0.00 0.00 62.75 57.13 1qr6 n ILE 1298Cb 0.75 -1.88 -0.07 0.00 -0.75 0.00 0.00 39.64 37.69 1qr6 n ILE 1298CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1qr6 n SER 1299N 0.71 -0.38 -4.19 4.38 7.64 -0.97 -4.79 113.62 116.02 1qr6 n SER 1299Ca 0.32 -1.83 -0.29 0.00 1.01 0.00 0.00 58.87 58.08 1qr6 n SER 1299Cb 0.34 -1.13 -0.16 0.00 -1.01 0.00 0.00 64.21 62.25 1qr6 n SER 1299CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1qr6 s LYS 1300N 6.81 2.32 -0.19 1.43 0.00 -1.26 -5.07 119.74 123.77 1qr6 s LYS 1300Ca 0.46 -0.75 -0.23 0.00 0.00 0.00 0.00 55.97 55.45 1qr6 s LYS 1300Cb -0.07 -1.91 -0.10 0.00 0.00 0.00 0.00 37.83 35.74 1qr6 s LYS 1300CO 0.11 0.25 0.75 -2.30 0.00 0.00 0.00 175.35 174.17 1qr6 n PRO 1301N 3.23 0.00 0.13 1.78 -0.02 -1.26 -4.70 135.00 134.16 1qr6 n PRO 1301Ca -0.19 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.36 1qr6 n PRO 1301Cb 0.52 -0.77 0.38 0.00 -0.02 0.00 0.00 33.50 33.61 1qr6 n PRO 1301CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1qr6 n ILE 1302N 1.74 1.03 0.72 4.25 -0.00 -1.26 0.25 119.36 126.08 1qr6 n ILE 1302Ca 0.15 0.69 0.13 0.00 -0.00 0.00 0.00 62.75 63.71 1qr6 n ILE 1302Cb -0.01 -1.69 0.34 0.00 -0.00 0.00 0.00 39.64 38.28 1qr6 n ILE 1302CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 1qr6 n SER 1303N -2.00 0.60 -1.33 4.38 3.41 -1.26 -3.27 113.62 114.16 1qr6 n SER 1303Ca -0.01 0.30 0.05 0.00 -0.26 0.00 0.00 58.87 58.95 1qr6 n SER 1303Cb 0.14 -0.27 0.26 0.00 -0.26 0.00 0.00 64.21 64.08 1qr6 n SER 1303CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1qr6 n GLU 1304N -1.98 3.32 -4.55 4.33 1.02 0.68 -4.91 120.64 118.55 1qr6 n GLU 1304Ca 0.05 -1.99 -0.32 0.00 -0.02 0.00 0.00 57.16 54.88 1qr6 n GLU 1304Cb 0.41 -1.91 -0.11 0.00 -0.02 0.00 0.00 31.44 29.81 1qr6 n GLU 1304CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1qr6 s HIS 1305N -2.03 2.84 -0.14 -0.32 3.76 -1.20 -4.88 115.29 113.33 1qr6 s HIS 1305Ca 0.35 -0.07 -0.05 0.00 -0.15 0.00 0.00 55.06 55.14 1qr6 s HIS 1305Cb 0.25 -1.61 0.06 0.00 1.11 0.00 0.00 32.58 32.40 1qr6 s HIS 1305CO 0.12 0.34 0.28 0.21 -0.85 0.00 0.00 174.74 174.84 1qr6 s LYS 1306N -1.27 0.19 -0.11 1.40 2.20 -1.26 -4.81 119.74 116.09 1qr6 s LYS 1306Ca 0.16 0.76 -0.00 0.00 -0.36 0.00 0.00 55.97 56.52 1qr6 s LYS 1306Cb -0.11 -0.00 -0.02 0.00 -1.51 0.00 0.00 37.83 36.18 1qr6 s LYS 1306CO 0.06 -0.26 -0.09 0.42 -0.36 0.00 0.00 175.35 175.12 1qr6 s ILE 1307N 2.24 3.48 -0.14 5.43 1.01 0.16 0.13 121.20 133.52 1qr6 s ILE 1307Ca -0.01 -0.53 -0.00 0.00 0.00 0.00 0.00 60.65 60.11 1qr6 s ILE 1307Cb -0.12 -2.45 -0.01 0.00 0.01 0.00 0.00 42.46 39.89 1qr6 s ILE 1307CO -0.09 0.55 -0.13 -0.22 0.00 0.00 0.00 174.94 175.05 1qr6 s LEU 1308N -0.18 2.68 -0.19 2.97 2.96 0.20 -1.52 118.68 125.61 1qr6 s LEU 1308Ca 0.01 -0.35 -0.07 0.00 -0.22 0.00 0.00 54.13 53.50 1qr6 s LEU 1308Cb -0.13 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 1qr6 s LEU 1308CO 0.03 0.15 0.05 -0.36 -1.32 0.00 0.00 176.35 174.90 1qr6 s PHE 1309N 0.45 3.21 -0.74 5.38 0.08 -0.69 -0.26 117.98 125.40 1qr6 s PHE 1309Ca -0.10 -0.02 -0.19 0.00 0.12 0.00 0.00 56.93 56.74 1qr6 s PHE 1309Cb -0.16 -2.09 0.12 0.00 -0.57 0.00 0.00 43.02 40.33 1qr6 s PHE 1309CO 0.05 0.08 0.90 -1.17 -0.10 0.00 0.00 175.22 174.97 1qr6 s LEU 1310N 0.52 5.28 0.00 -0.37 2.96 0.60 -0.26 118.68 127.41 1qr6 s LEU 1310Ca 0.02 -1.71 0.00 0.00 -0.22 0.00 0.00 54.13 52.22 1qr6 s LEU 1310Cb -0.13 -2.34 0.00 0.00 0.50 0.00 0.00 46.19 44.22 1qr6 s LEU 1310CO 0.01 -1.09 0.00 0.61 -1.32 0.00 0.00 176.35 174.56 1qr6 n GLY 1311N 5.19 3.23 2.78 7.98 0.00 0.37 -0.56 105.19 124.18 1qr6 n GLY 1311Ca 0.05 -1.77 -0.03 0.00 0.00 0.00 0.00 46.02 44.28 1qr6 n GLY 1311CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qr6 n ALA 1312N -0.62 2.82 -2.31 4.61 0.00 -1.26 -4.28 120.51 119.48 1qr6 n ALA 1312Ca 0.00 -2.86 0.00 0.00 0.00 0.00 0.00 53.44 50.58 1qr6 n ALA 1312Cb 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1qr6 n ALA 1312CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qr6 n GLY 1313N -0.52 3.67 0.40 0.00 0.00 -1.26 -4.74 105.19 102.74 1qr6 n GLY 1313Ca 0.09 -2.03 -0.07 0.00 0.00 0.00 0.00 46.02 44.02 1qr6 n GLY 1313CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1qr6 h GLU 1314N 0.00 -0.04 -0.36 1.61 4.81 -1.98 0.63 114.58 119.25 1qr6 h GLU 1314Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1qr6 h GLU 1314Cb 0.00 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1qr6 h GLU 1314CO 0.00 -0.03 0.17 0.00 -0.73 0.00 0.00 179.01 178.43 1qr6 h ALA 1315N 0.86 0.47 -0.34 2.92 0.00 -1.91 -2.00 119.26 119.26 1qr6 h ALA 1315Ca 0.24 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1qr6 h ALA 1315Cb 0.51 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1qr6 h ALA 1315CO -0.92 0.04 0.17 0.00 0.00 0.00 0.00 179.25 178.54 1qr6 h ALA 1316N 1.02 0.42 -0.48 0.00 0.00 -1.56 -1.71 119.26 116.95 1qr6 h ALA 1316Ca 0.12 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1qr6 h ALA 1316Cb 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1qr6 h ALA 1316CO -0.02 -0.20 0.15 -0.07 0.00 0.00 0.00 179.25 179.11 1qr6 h LEU 1317N 0.35 0.71 -0.78 0.00 3.38 -0.82 -1.07 115.31 117.08 1qr6 h LEU 1317Ca 0.14 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1qr6 h LEU 1317Cb 0.05 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1qr6 h LEU 1317CO -0.10 0.73 0.09 1.23 0.09 0.00 0.00 178.44 180.48 1qr6 h GLY 1318N 0.65 1.09 0.94 0.83 0.00 -1.17 -1.83 103.07 103.58 1qr6 h GLY 1318Ca 0.16 -0.72 -0.13 0.00 0.00 0.00 0.00 47.33 46.64 1qr6 h GLY 1318CO -0.00 0.67 -0.36 -2.22 0.00 0.00 0.00 176.54 174.62 1qr6 h ILE 1319N 0.95 1.32 0.62 2.60 2.04 -1.22 -2.47 117.51 121.36 1qr6 h ILE 1319Ca 0.19 -1.57 -0.02 0.00 1.00 0.00 0.00 64.86 64.45 1qr6 h ILE 1319Cb 0.43 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 1qr6 h ILE 1319CO 0.01 0.49 -0.39 0.00 0.00 0.00 0.00 178.15 178.27 1qr6 h ALA 1320N 0.63 -0.98 -0.79 1.87 0.00 -1.12 0.70 119.26 119.57 1qr6 h ALA 1320Ca 0.02 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 54.91 1qr6 h ALA 1320Cb 0.96 0.48 -0.11 0.00 0.00 0.00 0.00 17.79 19.11 1qr6 h ALA 1320CO 0.08 -1.07 0.25 -0.91 0.00 0.00 0.00 179.25 177.61 1qr6 h ASN 1321N -0.96 0.13 1.23 0.00 2.35 -1.39 0.20 115.58 117.14 1qr6 h ASN 1321Ca -0.08 0.15 -0.08 0.00 -0.55 0.00 0.00 56.30 55.73 1qr6 h ASN 1321Cb 0.78 0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.30 1qr6 h ASN 1321CO 0.07 -0.01 -0.40 0.25 -1.65 0.00 0.00 177.43 175.69 1qr6 h LEU 1322N 0.33 0.00 -0.07 1.61 5.85 -1.22 -3.19 115.31 118.62 1qr6 h LEU 1322Ca 0.46 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 59.13 1qr6 h LEU 1322Cb 0.80 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1qr6 h LEU 1322CO -0.51 0.40 -0.15 0.40 -0.34 0.00 0.00 178.44 178.24 1qr6 h ILE 1323N 0.00 1.42 0.00 4.05 2.04 0.13 -2.28 117.51 122.86 1qr6 h ILE 1323Ca -0.00 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.39 1qr6 h ILE 1323Cb 1.12 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 39.42 1qr6 h ILE 1323CO 0.05 0.41 0.00 0.52 0.00 0.00 0.00 178.15 179.13 1qr6 n VAL 1324N -4.60 0.00 -0.46 1.67 0.31 0.48 -4.68 118.33 111.05 1qr6 n VAL 1324Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1qr6 n VAL 1324Cb 0.38 -0.24 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 1qr6 n VAL 1324CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1qr6 n SER 1326N 0.70 -0.07 0.00 4.52 2.88 -0.86 -4.60 113.62 116.18 1qr6 n SER 1326Ca 0.00 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1qr6 n SER 1326Cb 0.00 -0.15 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 1qr6 n SER 1326CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1qr6 n VAL 1328N -0.34 0.00 0.00 2.46 0.31 -1.25 -3.08 118.33 116.43 1qr6 n VAL 1328Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1qr6 n VAL 1328Cb 0.04 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 1qr6 n VAL 1328CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1qr6 n GLU 1329N 0.00 0.00 0.00 5.55 0.28 -1.26 -0.57 120.64 124.64 1qr6 n GLU 1329Ca 0.00 0.37 0.08 0.00 -0.16 0.00 0.00 57.16 57.45 1qr6 n GLU 1329Cb 0.00 -1.54 -0.03 0.00 1.43 0.00 0.00 31.44 31.30 1qr6 n GLU 1329CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1qr6 n ASN 1330N -1.36 1.40 0.00 -1.84 4.13 -1.18 -4.97 115.26 111.44 1qr6 n ASN 1330Ca 0.00 -1.20 0.00 0.00 1.68 0.00 0.00 54.58 55.06 1qr6 n ASN 1330Cb 0.04 0.65 0.00 0.00 -1.54 0.00 0.00 39.78 38.93 1qr6 n ASN 1330CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1qr6 n GLY 1331N 1.27 0.53 3.91 7.41 0.00 0.27 -5.13 105.19 113.44 1qr6 n GLY 1331Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 1qr6 n GLY 1331CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qr6 s LEU 1332N 0.00 4.30 1.06 0.99 1.02 -1.22 -5.00 118.68 119.83 1qr6 s LEU 1332Ca 0.00 0.45 -0.12 0.00 0.02 0.00 0.00 54.13 54.48 1qr6 s LEU 1332Cb 0.00 -3.16 0.22 0.00 0.02 0.00 0.00 46.19 43.27 1qr6 s LEU 1332CO 0.00 0.10 1.07 -0.55 0.02 0.00 0.00 176.35 176.98 1qr6 s SER 1333N -2.49 1.99 0.02 2.29 0.15 -1.26 -3.92 113.70 110.48 1qr6 s SER 1333Ca 0.38 1.38 -0.24 0.00 0.70 0.00 0.00 55.95 58.17 1qr6 s SER 1333Cb -0.12 -2.09 -0.17 0.00 -1.71 0.00 0.00 66.02 61.93 1qr6 s SER 1333CO 0.26 -3.55 1.41 -0.08 1.20 0.00 0.00 173.24 172.48 1qr6 h GLU 1334N -2.18 0.07 -0.26 5.44 4.81 -1.96 -2.13 114.58 118.37 1qr6 h GLU 1334Ca -0.57 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 58.68 1qr6 h GLU 1334Cb 1.33 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.66 1qr6 h GLU 1334CO 0.54 0.40 -0.03 1.96 -0.73 0.00 0.00 179.01 181.15 1qr6 h GLN 1335N -0.26 0.04 -0.24 1.92 4.20 -1.99 -1.39 115.11 117.39 1qr6 h GLN 1335Ca 0.01 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.76 1qr6 h GLN 1335Cb 0.37 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 1qr6 h GLN 1335CO 0.00 0.03 0.01 0.93 -0.67 0.00 0.00 178.83 179.13 1qr6 h GLU 1336N 0.04 0.09 -0.82 1.46 5.08 -1.90 -1.50 114.58 117.03 1qr6 h GLU 1336Ca 0.13 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.56 1qr6 h GLU 1336Cb 0.18 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.34 1qr6 h GLU 1336CO -0.24 0.06 0.48 0.00 -1.00 0.00 0.00 179.01 178.32 1qr6 h ALA 1337N 1.20 1.16 0.00 3.43 0.00 -0.97 -2.06 119.26 122.02 1qr6 h ALA 1337Ca 0.11 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1qr6 h ALA 1337Cb 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1qr6 h ALA 1337CO -0.18 0.15 -0.19 1.96 0.00 0.00 0.00 179.25 180.98 1qr6 h GLN 1338N 0.84 0.00 0.00 0.00 4.20 -0.75 -3.05 115.11 116.34 1qr6 h GLN 1338Ca 0.38 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 59.00 1qr6 h GLN 1338Cb 0.29 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1qr6 h GLN 1338CO -0.22 0.19 -0.43 0.87 -0.67 0.00 0.00 178.83 178.58 1qr6 h LYS 1339N 0.00 0.00 -0.10 1.46 1.57 -0.55 -2.53 116.57 116.42 1qr6 h LYS 1339Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1qr6 h LYS 1339Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1qr6 h LYS 1339CO 0.02 0.43 0.00 1.63 -0.57 0.00 0.00 179.45 180.96 1qr6 n LYS 1340N -3.67 1.26 -4.30 3.15 4.76 -1.15 -4.73 118.16 113.49 1qr6 n LYS 1340Ca -0.01 -0.41 -0.32 0.00 -2.87 0.00 0.00 58.31 54.71 1qr6 n LYS 1340Cb 0.51 -1.16 -0.16 0.00 -1.84 0.00 0.00 35.03 32.38 1qr6 n LYS 1340CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1qr6 s ILE 1341N -1.87 1.89 0.00 -0.18 1.01 -0.96 -0.67 121.20 120.43 1qr6 s ILE 1341Ca 0.14 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.94 1qr6 s ILE 1341Cb 0.07 -1.71 0.00 0.00 0.01 0.00 0.00 42.46 40.83 1qr6 s ILE 1341CO 0.11 0.51 0.00 0.79 0.00 0.00 0.00 174.94 176.35 1qr6 n TRP 1342N 4.44 0.00 -3.15 3.97 7.02 -0.58 -4.80 117.44 124.35 1qr6 n TRP 1342Ca -0.20 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.34 1qr6 n TRP 1342Cb 0.51 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.38 1qr6 n TRP 1342CO 0.00 0.00 0.00 0.12 -2.02 0.00 0.00 177.69 175.79 1qr6 s PHE 1344N 0.13 -0.35 0.00 -5.99 5.36 0.64 -1.70 117.98 116.07 1qr6 s PHE 1344Ca 0.00 0.35 0.00 0.00 -0.96 0.00 0.00 56.93 56.32 1qr6 s PHE 1344Cb 0.00 0.11 0.00 0.00 -0.34 0.00 0.00 43.02 42.79 1qr6 s PHE 1344CO 0.00 -0.20 0.00 -0.40 -1.46 0.00 0.00 175.22 173.16 1qr6 n ASP 1345N 5.42 0.48 0.00 6.13 5.75 -0.89 0.14 116.55 133.58 1qr6 n ASP 1345Ca -0.05 -0.49 0.02 0.00 -0.01 0.00 0.00 54.79 54.25 1qr6 n ASP 1345Cb 0.55 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.71 1qr6 n ASP 1345CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1qr6 n LYS 1346N -0.37 0.02 -0.36 0.11 2.85 -1.26 -1.09 118.16 118.06 1qr6 n LYS 1346Ca 0.00 0.37 0.08 0.00 -1.05 0.00 0.00 58.31 57.71 1qr6 n LYS 1346Cb 0.00 -1.50 0.22 0.00 -0.65 0.00 0.00 35.03 33.10 1qr6 n LYS 1346CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1qr6 n TYR 1347N -1.41 0.68 -1.64 5.58 4.02 -1.26 -5.09 117.16 118.03 1qr6 n TYR 1347Ca 0.01 -0.96 0.00 0.00 -0.01 0.00 0.00 57.90 56.94 1qr6 n TYR 1347Cb 0.03 -0.28 0.00 0.00 -0.02 0.00 0.00 39.34 39.07 1qr6 n TYR 1347CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1qr6 n GLY 1348N -0.82 -2.08 3.68 2.72 0.00 -0.25 -4.90 105.19 103.54 1qr6 n GLY 1348Ca 0.20 -1.77 -0.46 0.00 0.00 0.00 0.00 46.02 44.00 1qr6 n GLY 1348CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1qr6 n LEU 1349N 0.00 3.51 -4.55 0.99 7.94 -1.26 -2.09 117.00 121.53 1qr6 n LEU 1349Ca 0.00 1.02 -0.37 0.00 -1.11 0.00 0.00 56.01 55.54 1qr6 n LEU 1349Cb 0.00 -1.45 -0.03 0.00 0.53 0.00 0.00 43.42 42.47 1qr6 n LEU 1349CO 0.00 -0.07 1.71 -0.76 -1.11 0.00 0.00 177.39 177.16 1qr6 s LEU 1350N 2.51 3.31 0.09 -1.96 2.01 -1.26 -4.91 118.68 118.47 1qr6 s LEU 1350Ca 0.84 0.51 0.08 0.00 0.01 0.00 0.00 54.13 55.58 1qr6 s LEU 1350Cb -0.62 -2.52 -0.03 0.00 0.01 0.00 0.00 46.19 43.02 1qr6 s LEU 1350CO 0.42 -2.55 -0.22 -0.69 1.01 0.00 0.00 176.35 174.32 1qr6 s VAL 1351N 10.04 1.81 -0.13 -1.59 1.01 -1.26 -3.91 120.40 126.37 1qr6 s VAL 1351Ca 0.76 -1.48 -0.32 0.00 0.00 0.00 0.00 61.98 60.94 1qr6 s VAL 1351Cb -0.14 -1.61 -0.10 0.00 0.00 0.00 0.00 36.38 34.54 1qr6 s VAL 1351CO 0.21 0.06 2.02 1.17 0.00 0.00 0.00 175.10 178.57 1qr6 n LYS 1352N 1.30 2.10 0.00 2.72 4.81 0.32 -2.03 118.16 127.38 1qr6 n LYS 1352Ca -0.19 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 57.97 1qr6 n LYS 1352Cb 0.53 -2.82 0.00 0.00 0.02 0.00 0.00 35.03 32.76 1qr6 n LYS 1352CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qr6 n GLY 1353N 5.06 3.27 3.20 3.14 0.00 -1.26 -4.64 105.19 113.96 1qr6 n GLY 1353Ca 0.27 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 1qr6 n GLY 1353CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1qr6 n ARG 1354N -2.00 0.01 -0.06 1.61 1.85 -0.86 -4.88 116.66 112.32 1qr6 n ARG 1354Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.74 1qr6 n ARG 1354Cb 0.00 -1.01 -0.05 0.00 -1.05 0.00 0.00 32.46 30.35 1qr6 n ARG 1354CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 1qr6 h LYS 1355N -0.23 0.30 -6.86 2.89 1.63 -1.97 -3.42 116.57 108.91 1qr6 h LYS 1355Ca -0.42 -0.08 -0.56 0.00 -0.85 0.00 0.00 60.65 58.74 1qr6 h LYS 1355Cb 1.41 -0.04 0.14 0.00 -0.60 0.00 0.00 32.23 33.15 1qr6 h LYS 1355CO 0.38 0.47 0.41 0.00 -3.45 0.00 0.00 179.45 177.25 1qr6 n ALA 1356N -2.29 1.02 -2.05 5.00 0.00 -1.26 -4.93 120.51 116.01 1qr6 n ALA 1356Ca -0.04 0.18 -0.32 0.00 0.00 0.00 0.00 53.44 53.26 1qr6 n ALA 1356Cb 0.19 -2.24 -0.04 0.00 0.00 0.00 0.00 19.45 17.36 1qr6 n ALA 1356CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1qr6 s LYS 1357N -2.45 3.93 -0.01 0.00 -2.85 -1.26 -5.01 119.74 112.09 1qr6 s LYS 1357Ca 0.67 0.71 0.07 0.00 -1.00 0.00 0.00 55.97 56.42 1qr6 s LYS 1357Cb -0.47 -2.32 -0.02 0.00 -2.06 0.00 0.00 37.83 32.96 1qr6 s LYS 1357CO 0.54 -0.04 -0.23 0.42 0.10 0.00 0.00 175.35 176.14 1qr6 s ILE 1358N -2.30 1.80 0.37 3.79 1.09 -1.26 -5.15 121.20 119.54 1qr6 s ILE 1358Ca 0.55 -0.99 0.07 0.00 -1.10 0.00 0.00 60.65 59.19 1qr6 s ILE 1358Cb -0.10 -1.49 -0.01 0.00 -1.06 0.00 0.00 42.46 39.79 1qr6 s ILE 1358CO 0.25 0.49 0.42 1.51 -0.10 0.00 0.00 174.94 177.52 1qr6 s ASP 1359N -0.57 5.51 0.13 3.58 3.84 -1.26 -4.91 116.67 122.99 1qr6 s ASP 1359Ca 0.09 -0.45 -0.25 0.00 -0.00 0.00 0.00 52.55 51.94 1qr6 s ASP 1359Cb -0.09 -0.89 -0.06 0.00 -1.38 0.00 0.00 42.92 40.50 1qr6 s ASP 1359CO -0.01 -0.53 1.33 -1.54 -0.00 0.00 0.00 175.17 174.43 1qr6 n SER 1360N -1.59 -0.85 0.29 2.11 3.41 -1.26 0.28 113.62 116.01 1qr6 n SER 1360Ca 0.02 1.53 0.18 0.00 -0.26 0.00 0.00 58.87 60.34 1qr6 n SER 1360Cb 0.60 -0.23 0.97 0.00 -0.26 0.00 0.00 64.21 65.29 1qr6 n SER 1360CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1qr6 h TYR 1361N 0.00 0.00 0.13 7.33 -1.99 -2.02 -2.89 116.97 117.54 1qr6 h TYR 1361Ca 0.13 0.00 -0.33 0.00 2.00 0.00 0.00 58.73 60.52 1qr6 h TYR 1361Cb 0.33 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.05 1qr6 h TYR 1361CO -0.92 0.00 -1.72 1.96 -0.00 0.00 0.00 178.16 177.48 1qr6 h GLN 1362N 0.00 0.29 -0.87 4.88 4.20 -0.55 -3.40 115.11 119.66 1qr6 h GLN 1362Ca 0.03 -0.49 0.18 0.00 0.06 0.00 0.00 58.65 58.43 1qr6 h GLN 1362Cb 0.29 0.18 -0.16 0.00 0.30 0.00 0.00 27.48 28.09 1qr6 h GLN 1362CO -0.00 1.16 -0.18 1.49 -0.67 0.00 0.00 178.83 180.62 1qr6 h GLU 1363N 0.08 0.01 -0.79 1.46 4.22 -1.15 0.31 114.58 118.71 1qr6 h GLU 1363Ca -0.32 -0.00 0.23 0.00 0.08 0.00 0.00 59.36 59.35 1qr6 h GLU 1363Cb 2.05 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.27 1qr6 h GLU 1363CO 0.15 0.01 0.74 -1.00 -2.18 0.00 0.00 179.01 176.72 1qr6 h PRO 1364N 0.01 0.00 -0.28 0.92 0.13 -1.77 0.68 132.00 131.69 1qr6 h PRO 1364Ca 0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.56 1qr6 h PRO 1364Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1qr6 h PRO 1364CO -0.88 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 178.08 1qr6 n PHE 1365N -3.77 0.36 -3.15 1.56 3.01 0.10 -4.74 117.46 110.83 1qr6 n PHE 1365Ca 0.17 -0.27 -0.45 0.00 1.01 0.00 0.00 57.45 57.90 1qr6 n PHE 1365Cb 1.01 -0.01 -0.05 0.00 -0.01 0.00 0.00 39.48 40.43 1qr6 n PHE 1365CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1qr6 s THR 1366N -1.14 4.88 0.42 4.37 2.01 0.24 -4.72 115.64 121.71 1qr6 s THR 1366Ca 0.26 -1.04 0.06 0.00 0.31 0.00 0.00 61.69 61.28 1qr6 s THR 1366Cb 0.15 -4.45 0.07 0.00 0.01 0.00 0.00 72.50 68.28 1qr6 s THR 1366CO 0.21 -1.07 0.58 1.41 -0.69 0.00 0.00 174.62 175.06 1qr6 n HIS 1367N 6.16 -2.55 -2.46 4.92 8.25 -1.25 -4.45 115.22 123.84 1qr6 n HIS 1367Ca -0.10 -1.48 -0.41 0.00 -0.26 0.00 0.00 57.72 55.47 1qr6 n HIS 1367Cb 0.42 -0.40 -0.04 0.00 1.12 0.00 0.00 29.99 31.09 1qr6 n HIS 1367CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1qr6 s SER 1368N -3.59 7.22 0.33 0.41 0.01 -1.26 0.12 113.70 116.94 1qr6 s SER 1368Ca 0.44 2.21 -0.29 0.00 1.31 0.00 0.00 55.95 59.62 1qr6 s SER 1368Cb -0.03 -2.61 -0.12 0.00 0.21 0.00 0.00 66.02 63.46 1qr6 s SER 1368CO 0.28 -0.23 1.36 0.00 0.41 0.00 0.00 173.24 175.06 1qr6 n ALA 1369N 1.89 1.57 -1.29 1.44 0.00 -1.26 -4.85 120.51 118.02 1qr6 n ALA 1369Ca 0.01 0.36 -0.29 0.00 0.00 0.00 0.00 53.44 53.53 1qr6 n ALA 1369Cb 0.45 -2.30 0.17 0.00 0.00 0.00 0.00 19.45 17.77 1qr6 n ALA 1369CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1qr6 s PRO 1370N -1.64 0.53 0.25 0.00 0.02 -1.26 -4.88 135.00 128.02 1qr6 s PRO 1370Ca 0.57 0.39 -0.06 0.00 0.02 0.00 0.00 61.00 61.92 1qr6 s PRO 1370Cb -0.56 -1.76 0.27 0.00 0.02 0.00 0.00 34.50 32.47 1qr6 s PRO 1370CO 0.60 -2.64 1.92 1.49 -0.33 0.00 0.00 177.00 178.04 1qr6 h GLU 1371N -1.82 1.30 -4.09 5.54 4.81 -2.01 -3.33 114.58 114.98 1qr6 h GLU 1371Ca -0.53 -0.09 -0.75 0.00 -0.13 0.00 0.00 59.36 57.85 1qr6 h GLU 1371Cb 1.33 -0.29 -0.26 0.00 0.63 0.00 0.00 28.75 30.16 1qr6 h GLU 1371CO 0.58 0.87 -0.23 -1.54 -0.73 0.00 0.00 179.01 177.97 1qr6 s SER 1372N -6.16 6.10 -0.53 1.04 1.04 -1.26 -5.04 113.70 108.89 1qr6 s SER 1372Ca -0.13 -2.02 -0.28 0.00 0.48 0.00 0.00 55.95 54.00 1qr6 s SER 1372Cb 0.18 -2.14 0.02 0.00 0.10 0.00 0.00 66.02 64.18 1qr6 s SER 1372CO 0.82 -0.74 1.36 -0.63 0.98 0.00 0.00 173.24 175.03 1qr6 s ILE 1373N 1.22 3.87 0.62 -1.02 1.01 -1.25 -4.97 121.20 120.68 1qr6 s ILE 1373Ca 0.07 0.78 -0.18 0.00 0.00 0.00 0.00 60.65 61.32 1qr6 s ILE 1373Cb -0.25 -4.45 -0.02 0.00 0.01 0.00 0.00 42.46 37.74 1qr6 s ILE 1373CO -0.00 -1.12 1.26 -2.16 0.00 0.00 0.00 174.94 172.92 1qr6 s PRO 1374N 5.27 2.75 -0.14 2.79 0.04 -1.26 -4.93 135.00 139.52 1qr6 s PRO 1374Ca 0.52 1.97 0.15 0.00 0.04 0.00 0.00 61.00 63.68 1qr6 s PRO 1374Cb -0.10 -1.90 0.35 0.00 0.04 0.00 0.00 34.50 32.89 1qr6 s PRO 1374CO 0.27 -1.42 1.17 -0.40 0.04 0.00 0.00 177.00 176.67 1qr6 n ASP 1375N -1.73 1.63 -3.63 6.66 3.85 -1.26 -4.60 116.55 117.46 1qr6 n ASP 1375Ca 0.15 -3.22 -0.10 0.00 -0.71 0.00 0.00 54.79 50.91 1qr6 n ASP 1375Cb 0.49 -0.44 -0.07 0.00 -1.35 0.00 0.00 41.12 39.75 1qr6 n ASP 1375CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1qr6 s THR 1376N -2.35 0.00 0.25 2.12 2.01 -1.26 -5.00 115.64 111.41 1qr6 s THR 1376Ca 0.32 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 62.27 1qr6 s THR 1376Cb 0.31 -1.00 0.23 0.00 0.01 0.00 0.00 72.50 72.06 1qr6 s THR 1376CO -0.05 0.00 1.88 0.15 -0.69 0.00 0.00 174.62 175.91 1qr6 h PHE 1377N 4.21 1.09 -0.58 4.92 3.57 -1.94 0.16 116.94 128.37 1qr6 h PHE 1377Ca -0.28 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.28 1qr6 h PHE 1377Cb 1.17 -0.36 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 1qr6 h PHE 1377CO 0.33 0.60 0.38 1.49 -2.23 0.00 0.00 178.31 178.88 1qr6 h GLU 1378N 1.10 0.66 0.30 1.11 4.81 -1.96 0.70 114.58 121.31 1qr6 h GLU 1378Ca 0.38 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.55 1qr6 h GLU 1378Cb 0.08 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1qr6 h GLU 1378CO -0.14 0.44 -0.14 -0.44 -0.73 0.00 0.00 179.01 177.99 1qr6 h ASP 1379N 0.68 -0.34 -0.52 1.04 3.32 -1.31 -2.35 116.42 116.94 1qr6 h ASP 1379Ca 0.23 -0.20 0.11 0.00 0.02 0.00 0.00 57.03 57.19 1qr6 h ASP 1379Cb 0.08 0.09 -0.10 0.00 0.22 0.00 0.00 39.33 39.62 1qr6 h ASP 1379CO -0.06 0.08 -0.16 0.00 -1.72 0.00 0.00 179.24 177.38 1qr6 h ALA 1380N -0.34 0.29 -0.55 3.45 0.00 0.07 1.53 119.26 123.71 1qr6 h ALA 1380Ca -0.04 0.20 0.16 0.00 0.00 0.00 0.00 54.91 55.23 1qr6 h ALA 1380Cb 0.52 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1qr6 h ALA 1380CO 0.07 -0.47 0.44 0.28 0.00 0.00 0.00 179.25 179.56 1qr6 h VAL 1381N -0.03 0.60 0.09 0.00 2.07 0.43 0.81 116.25 120.22 1qr6 h VAL 1381Ca 0.25 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.46 1qr6 h VAL 1381Cb 0.42 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1qr6 h VAL 1381CO -0.56 0.00 -1.67 0.78 0.02 0.00 0.00 177.57 176.14 1qr6 h ASN 1382N 0.00 0.30 0.42 0.57 2.35 0.17 -3.06 115.58 116.32 1qr6 h ASN 1382Ca 0.26 -0.81 -0.02 0.00 -0.55 0.00 0.00 56.30 55.18 1qr6 h ASN 1382Cb 1.13 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.41 1qr6 h ASN 1382CO -0.00 1.71 -0.20 0.40 -1.65 0.00 0.00 177.43 177.69 1qr6 h ILE 1383N -0.30 0.00 -0.10 2.81 2.04 0.26 -3.34 117.51 118.88 1qr6 h ILE 1383Ca -0.38 -0.56 -0.09 0.00 1.00 0.00 0.00 64.86 64.84 1qr6 h ILE 1383Cb 1.78 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1qr6 h ILE 1383CO 0.00 0.00 -0.33 -0.07 0.00 0.00 0.00 178.15 177.75 1qr6 h LEU 1384N -1.13 0.19 -1.29 1.44 4.07 0.40 -3.48 115.31 115.52 1qr6 h LEU 1384Ca -0.06 -0.07 -0.37 0.00 0.08 0.00 0.00 57.88 57.46 1qr6 h LEU 1384Cb 0.43 -0.05 0.14 0.00 1.08 0.00 0.00 40.66 42.26 1qr6 h LEU 1384CO 0.09 0.52 -0.74 1.17 -1.08 0.00 0.00 178.44 178.41 1qr6 n LYS 1385N -4.10 -7.01 -1.85 1.13 4.81 -1.16 -4.96 118.16 105.02 1qr6 n LYS 1385Ca -0.01 0.81 -0.35 0.00 -0.87 0.00 0.00 58.31 57.88 1qr6 n LYS 1385Cb 0.41 -5.80 0.05 0.00 0.02 0.00 0.00 35.03 29.71 1qr6 n LYS 1385CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1qr6 s PRO 1386N -5.88 2.77 0.17 1.64 0.04 -1.26 -4.90 135.00 127.58 1qr6 s PRO 1386Ca 0.29 1.73 0.16 0.00 0.04 0.00 0.00 61.00 63.21 1qr6 s PRO 1386Cb -0.13 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 1qr6 s PRO 1386CO 0.74 -1.34 1.14 0.66 0.04 0.00 0.00 177.00 178.24 1qr6 h SER 1387N 0.50 0.00 -4.13 6.66 4.64 0.72 -3.46 113.55 118.47 1qr6 h SER 1387Ca -0.49 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.42 1qr6 h SER 1387Cb 1.29 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 63.10 1qr6 h SER 1387CO 0.54 0.56 -0.78 -0.89 -0.87 0.00 0.00 176.83 175.38 1qr6 s THR 1388N -2.94 0.80 -0.06 2.95 2.01 -0.54 -3.04 115.64 114.83 1qr6 s THR 1388Ca 0.01 -0.53 0.05 0.00 0.31 0.00 0.00 61.69 61.53 1qr6 s THR 1388Cb 0.08 -0.69 -0.01 0.00 0.01 0.00 0.00 72.50 71.89 1qr6 s THR 1388CO 0.78 0.16 -0.22 -0.51 -0.69 0.00 0.00 174.62 174.14 1qr6 s ILE 1389N -0.37 1.82 -0.16 1.82 1.10 -0.28 0.59 121.20 125.71 1qr6 s ILE 1389Ca 0.03 -0.93 -0.01 0.00 -0.51 0.00 0.00 60.65 59.23 1qr6 s ILE 1389Cb -0.05 -1.55 0.04 0.00 0.15 0.00 0.00 42.46 41.06 1qr6 s ILE 1389CO -0.00 0.51 -0.03 -0.63 -2.11 0.00 0.00 174.94 172.67 1qr6 s ILE 1390N -0.03 0.97 -0.43 2.00 1.01 0.64 -0.69 121.20 124.66 1qr6 s ILE 1390Ca -0.05 -0.57 -0.22 0.00 0.00 0.00 0.00 60.65 59.80 1qr6 s ILE 1390Cb -0.13 -1.20 0.02 0.00 0.01 0.00 0.00 42.46 41.16 1qr6 s ILE 1390CO 0.04 0.08 0.73 -0.83 0.00 0.00 0.00 174.94 174.95 1qr6 s GLY 1391N 1.69 1.65 -0.29 6.18 0.00 1.20 -0.29 107.32 117.46 1qr6 s GLY 1391Ca 0.01 -1.04 0.20 0.00 0.00 0.00 0.00 44.72 43.88 1qr6 s GLY 1391CO -0.07 1.68 1.05 -0.62 0.00 0.00 0.00 173.10 175.13 1qr6 n VAL 1392N 5.98 1.09 -0.07 1.40 0.31 0.28 -0.42 118.33 126.91 1qr6 n VAL 1392Ca 0.01 -2.92 -0.04 0.00 -0.01 0.00 0.00 64.34 61.38 1qr6 n VAL 1392Cb 0.48 1.00 -0.15 0.00 -0.91 0.00 0.00 33.84 34.27 1qr6 n VAL 1392CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1qr6 n ALA 1393N -0.37 1.88 -3.47 3.52 0.00 -0.52 -4.49 120.51 117.07 1qr6 n ALA 1393Ca 0.07 -1.01 -0.21 0.00 0.00 0.00 0.00 53.44 52.30 1qr6 n ALA 1393Cb 0.81 -0.30 0.06 0.00 0.00 0.00 0.00 19.45 20.03 1qr6 n ALA 1393CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qr6 n GLY 1394N 1.72 -0.87 2.73 0.00 0.00 -1.26 -4.96 105.19 102.55 1qr6 n GLY 1394Ca -0.23 0.41 -0.03 0.00 0.00 0.00 0.00 46.02 46.18 1qr6 n GLY 1394CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qr6 n ALA 1395N -3.78 2.60 0.00 4.61 0.00 -1.24 -5.03 120.51 117.68 1qr6 n ALA 1395Ca -0.14 -1.81 0.00 0.00 0.00 0.00 0.00 53.44 51.49 1qr6 n ALA 1395Cb 0.63 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 19.20 1qr6 n ALA 1395CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qr6 n GLY 1396N -0.96 -2.11 3.58 0.00 0.00 -0.36 -4.65 105.19 100.69 1qr6 n GLY 1396Ca -0.05 -1.67 -0.39 0.00 0.00 0.00 0.00 46.02 43.91 1qr6 n GLY 1396CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qr6 s ARG 1397N -0.14 3.61 0.00 1.61 1.81 -0.83 -3.48 118.95 121.53 1qr6 s ARG 1397Ca 0.00 -1.69 0.27 0.00 -1.72 0.00 0.00 55.73 52.59 1qr6 s ARG 1397Cb 0.00 -5.45 0.89 0.00 -0.45 0.00 0.00 34.95 29.94 1qr6 s ARG 1397CO 0.00 -2.63 1.66 1.28 -0.68 0.00 0.00 175.30 174.93 1qr6 n LEU 1398N 9.80 1.66 -3.93 2.53 4.77 -1.16 -4.23 117.00 126.44 1qr6 n LEU 1398Ca 0.46 -0.55 -0.43 0.00 -0.03 0.00 0.00 56.01 55.47 1qr6 n LEU 1398Cb 0.47 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.56 1qr6 n LEU 1398CO 0.73 0.28 1.20 0.49 -1.33 0.00 0.00 177.39 178.76 1qr6 n PHE 1399N 0.25 2.32 -0.91 -1.77 0.99 -0.68 -4.93 117.46 112.73 1qr6 n PHE 1399Ca 0.18 -2.56 -0.33 0.00 -0.00 0.00 0.00 57.45 54.74 1qr6 n PHE 1399Cb 0.39 -1.24 0.13 0.00 -1.00 0.00 0.00 39.48 37.76 1qr6 n PHE 1399CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1qr6 n THR 1400N 1.03 0.77 0.18 4.37 -2.24 -1.26 -4.50 114.28 112.63 1qr6 n THR 1400Ca 0.30 -0.17 0.18 0.00 -2.27 0.00 0.00 64.05 62.08 1qr6 n THR 1400Cb 0.32 -0.88 0.81 0.00 -2.10 0.00 0.00 70.33 68.47 1qr6 n THR 1400CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1qr6 h PRO 1401N -1.32 0.00 -0.18 -0.78 0.11 -1.96 0.64 132.00 128.51 1qr6 h PRO 1401Ca -0.44 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.55 1qr6 h PRO 1401Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1qr6 h PRO 1401CO 0.40 0.00 -0.33 -0.44 -0.21 0.00 0.00 178.00 177.42 1qr6 h ASP 1402N 0.00 0.61 -0.30 -2.05 5.19 -1.98 0.61 116.42 118.49 1qr6 h ASP 1402Ca 0.11 -0.54 -0.05 0.00 -0.62 0.00 0.00 57.03 55.93 1qr6 h ASP 1402Cb 0.61 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.94 1qr6 h ASP 1402CO -0.00 1.03 -0.02 0.58 -3.12 0.00 0.00 179.24 177.71 1qr6 h VAL 1403N 0.20 1.27 0.61 -1.35 2.07 -0.50 -1.43 116.25 117.12 1qr6 h VAL 1403Ca 0.01 -1.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 1qr6 h VAL 1403Cb 0.92 1.32 0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1qr6 h VAL 1403CO 0.07 0.32 -0.29 0.40 0.02 0.00 0.00 177.57 178.09 1qr6 h ILE 1404N 0.33 0.00 -0.10 4.57 2.04 0.06 -2.79 117.51 121.61 1qr6 h ILE 1404Ca 0.08 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 65.95 1qr6 h ILE 1404Cb 0.47 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1qr6 h ILE 1404CO 0.02 0.00 0.15 0.08 0.00 0.00 0.00 178.15 178.40 1qr6 h ARG 1405N -0.85 0.00 -1.42 2.37 0.11 -0.96 -2.24 114.38 111.39 1qr6 h ARG 1405Ca -0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.00 1qr6 h ARG 1405Cb 0.63 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.71 1qr6 h ARG 1405CO 0.14 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.21 1qr6 n ALA 1406N -2.23 2.78 0.00 0.08 0.00 -0.54 -1.88 120.51 118.72 1qr6 n ALA 1406Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1qr6 n ALA 1406Cb 0.25 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1qr6 n ALA 1406CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qr6 n ALA 1408N 0.90 0.00 0.02 0.00 0.00 -0.84 -3.70 120.51 116.88 1qr6 n ALA 1408Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1qr6 n ALA 1408Cb 0.43 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.74 1qr6 n ALA 1408CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1qr6 h SER 1409N 0.00 0.34 0.31 0.00 4.64 -1.65 -3.38 113.55 113.81 1qr6 h SER 1409Ca 0.00 -0.65 -0.25 0.00 -0.47 0.00 0.00 61.79 60.42 1qr6 h SER 1409Cb 0.00 -0.11 0.01 0.00 -0.31 0.00 0.00 62.40 61.99 1qr6 h SER 1409CO 0.00 1.57 -1.03 0.40 -0.87 0.00 0.00 176.83 176.90 1qr6 h ILE 1410N 0.06 1.38 -4.10 0.95 2.04 -1.81 -3.46 117.51 112.58 1qr6 h ILE 1410Ca -0.35 -2.51 -0.55 0.00 1.00 0.00 0.00 64.86 62.46 1qr6 h ILE 1410Cb 2.03 2.52 -0.25 0.00 -0.74 0.00 0.00 36.82 40.39 1qr6 h ILE 1410CO 0.11 0.75 -0.83 0.20 0.00 0.00 0.00 178.15 178.38 1qr6 s ASN 1411N -7.16 2.34 0.20 1.72 0.01 -1.26 -5.04 114.94 105.75 1qr6 s ASN 1411Ca -0.06 -0.54 -0.09 0.00 -0.71 0.00 0.00 52.86 51.45 1qr6 s ASN 1411Cb 0.08 -0.17 0.14 0.00 0.41 0.00 0.00 41.25 41.71 1qr6 s ASN 1411CO 0.88 0.12 1.81 -0.08 -1.51 0.00 0.00 177.10 178.32 1qr6 h GLU 1412N 4.72 1.06 -2.85 -0.60 4.57 -1.89 -3.36 114.58 116.24 1qr6 h GLU 1412Ca -0.42 -0.14 -0.61 0.00 -1.18 0.00 0.00 59.36 57.01 1qr6 h GLU 1412Cb 1.17 -0.20 -0.40 0.00 -0.16 0.00 0.00 28.75 29.16 1qr6 h GLU 1412CO 0.43 0.81 -0.76 1.03 -1.18 0.00 0.00 179.01 179.34 1qr6 s ARG 1413N -5.77 1.42 0.24 1.92 1.81 -1.25 -4.77 118.95 112.54 1qr6 s ARG 1413Ca -0.13 -2.28 -0.30 0.00 -1.72 0.00 0.00 55.73 51.30 1qr6 s ARG 1413Cb 0.15 -2.31 -0.10 0.00 -0.45 0.00 0.00 34.95 32.24 1qr6 s ARG 1413CO 0.81 -1.24 1.44 -1.25 -0.68 0.00 0.00 175.30 174.38 1qr6 s PRO 1414N -0.06 4.27 -0.36 3.54 0.04 -1.14 -4.66 135.00 136.62 1qr6 s PRO 1414Ca 0.23 2.29 -0.13 0.00 0.04 0.00 0.00 61.00 63.43 1qr6 s PRO 1414Cb -0.14 -3.12 -0.00 0.00 0.04 0.00 0.00 34.50 31.28 1qr6 s PRO 1414CO -0.08 -0.42 0.25 0.08 0.04 0.00 0.00 177.00 176.87 1qr6 s VAL 1415N 0.06 5.17 -0.17 -0.36 1.01 -1.17 0.20 120.40 125.15 1qr6 s VAL 1415Ca 0.60 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 62.19 1qr6 s VAL 1415Cb -0.42 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.24 1qr6 s VAL 1415CO 0.42 -0.10 -0.19 -0.63 0.00 0.00 0.00 175.10 174.60 1qr6 s ILE 1416N 1.69 2.20 -0.25 2.22 1.01 0.12 -1.12 121.20 127.07 1qr6 s ILE 1416Ca 0.05 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.81 1qr6 s ILE 1416Cb -0.18 -1.92 0.06 0.00 0.01 0.00 0.00 42.46 40.44 1qr6 s ILE 1416CO 0.10 0.53 -0.07 -0.36 0.00 0.00 0.00 174.94 175.14 1qr6 s PHE 1417N 1.10 2.78 -0.57 3.97 0.40 0.13 -2.41 117.98 123.38 1qr6 s PHE 1417Ca 0.00 -2.02 -0.08 0.00 -0.60 0.00 0.00 56.93 54.23 1qr6 s PHE 1417Cb -0.14 -1.76 0.15 0.00 0.51 0.00 0.00 43.02 41.78 1qr6 s PHE 1417CO -0.08 -0.82 0.44 0.00 0.70 0.00 0.00 175.22 175.46 1qr6 s ALA 1418N 1.26 3.55 -0.76 5.36 0.00 -0.82 0.38 121.76 130.73 1qr6 s ALA 1418Ca -0.07 -2.86 0.22 0.00 0.00 0.00 0.00 51.96 49.26 1qr6 s ALA 1418Cb -0.19 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 1qr6 s ALA 1418CO -0.06 -2.02 0.97 1.28 0.00 0.00 0.00 175.76 175.94 1qr6 n LEU 1419N 4.37 0.69 -4.70 0.00 7.99 0.44 -1.96 117.00 123.83 1qr6 n LEU 1419Ca 0.00 -0.21 -0.42 0.00 -0.01 0.00 0.00 56.01 55.37 1qr6 n LEU 1419Cb 0.41 -0.07 -0.03 0.00 -0.11 0.00 0.00 43.42 43.62 1qr6 n LEU 1419CO 0.39 0.13 1.43 -0.44 -1.51 0.00 0.00 177.39 177.39 1qr6 s SER 1420N -3.48 6.44 0.24 -1.43 0.01 -1.08 -3.99 113.70 110.41 1qr6 s SER 1420Ca 0.05 2.75 0.11 0.00 1.31 0.00 0.00 55.95 60.18 1qr6 s SER 1420Cb 0.15 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.76 1qr6 s SER 1420CO 0.83 -0.98 -0.20 0.20 0.41 0.00 0.00 173.24 173.49 1qr6 s ASN 1421N 2.32 3.60 1.05 2.44 0.01 -1.26 -2.11 114.94 120.99 1qr6 s ASN 1421Ca 0.79 -0.91 -0.16 0.00 -0.71 0.00 0.00 52.86 51.86 1qr6 s ASN 1421Cb -0.46 -0.33 0.22 0.00 0.41 0.00 0.00 41.25 41.09 1qr6 s ASN 1421CO 0.35 0.08 1.16 -2.16 -1.51 0.00 0.00 177.10 175.02 1qr6 s PRO 1422N -3.11 -0.02 0.25 -0.60 0.04 -1.26 -4.76 135.00 125.54 1qr6 s PRO 1422Ca 0.26 0.00 0.01 0.00 0.04 0.00 0.00 61.00 61.31 1qr6 s PRO 1422Cb -0.07 -1.73 0.60 0.00 0.04 0.00 0.00 34.50 33.35 1qr6 s PRO 1422CO 0.13 -2.93 1.27 2.41 0.04 0.00 0.00 177.00 177.92 1qr6 n THR 1423N -4.22 -0.34 0.20 1.26 -1.04 -1.26 0.17 114.28 109.05 1qr6 n THR 1423Ca 0.11 1.79 0.18 0.00 -2.04 0.00 0.00 64.05 64.09 1qr6 n THR 1423Cb 0.59 -2.60 0.83 0.00 -1.82 0.00 0.00 70.33 67.33 1qr6 n THR 1423CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qr6 h ALA 1424N 1.62 1.77 0.00 2.41 0.00 -1.95 -0.76 119.26 122.36 1qr6 h ALA 1424Ca 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1qr6 h ALA 1424Cb 0.98 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1qr6 h ALA 1424CO -0.77 -0.39 -1.26 1.04 0.00 0.00 0.00 179.25 177.87 1qr6 n GLN 1425N -3.58 0.57 -0.88 0.00 3.00 0.45 -4.24 117.38 112.71 1qr6 n GLN 1425Ca 0.02 0.02 -0.35 0.00 -0.01 0.00 0.00 57.00 56.69 1qr6 n GLN 1425Cb 0.41 -1.72 0.09 0.00 0.00 0.00 0.00 30.24 29.02 1qr6 n GLN 1425CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1qr6 n ALA 1426N -2.15 -4.17 0.25 -1.58 0.00 -0.29 -1.22 120.51 111.35 1qr6 n ALA 1426Ca -0.01 -0.77 0.12 0.00 0.00 0.00 0.00 53.44 52.79 1qr6 n ALA 1426Cb 0.54 -1.43 0.16 0.00 0.00 0.00 0.00 19.45 18.72 1qr6 n ALA 1426CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1qr6 h GLU 1427N -1.34 0.00 -1.06 0.00 3.07 -1.82 -2.22 114.58 111.21 1qr6 h GLU 1427Ca -0.44 0.00 0.37 0.00 -0.50 0.00 0.00 59.36 58.79 1qr6 h GLU 1427Cb 1.31 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 29.06 1qr6 h GLU 1427CO 0.29 0.00 0.98 0.00 -1.40 0.00 0.00 179.01 178.88 1qr6 s THR 1429N -2.06 2.30 0.06 0.00 -1.32 -1.26 -4.92 115.64 108.44 1qr6 s THR 1429Ca 0.14 -0.58 -0.16 0.00 -1.21 0.00 0.00 61.69 59.88 1qr6 s THR 1429Cb 0.05 -2.72 -0.18 0.00 -1.51 0.00 0.00 72.50 68.15 1qr6 s THR 1429CO -0.05 0.00 1.25 0.00 -2.21 0.00 0.00 174.62 173.61 1qr6 h ALA 1430N -0.38 0.23 -0.54 11.08 0.00 -1.97 -2.90 119.26 124.78 1qr6 h ALA 1430Ca -0.39 -0.55 0.04 0.00 0.00 0.00 0.00 54.91 54.02 1qr6 h ALA 1430Cb 1.28 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 1qr6 h ALA 1430CO 0.45 0.49 0.29 0.93 0.00 0.00 0.00 179.25 181.42 1qr6 h GLU 1431N 0.27 0.55 0.11 0.00 4.39 -1.95 0.59 114.58 118.54 1qr6 h GLU 1431Ca -0.04 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.64 1qr6 h GLU 1431Cb 1.26 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.75 1qr6 h GLU 1431CO 0.13 0.37 -0.28 0.93 -1.16 0.00 0.00 179.01 178.99 1qr6 h GLU 1432N 0.57 -0.47 0.31 2.33 5.08 -1.95 -0.40 114.58 120.04 1qr6 h GLU 1432Ca 0.23 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1qr6 h GLU 1432Cb 0.10 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1qr6 h GLU 1432CO -0.14 -0.31 -0.33 0.00 -1.00 0.00 0.00 179.01 177.23 1qr6 h ALA 1433N 0.22 -0.68 0.82 3.43 0.00 -1.24 -1.22 119.26 120.59 1qr6 h ALA 1433Ca 0.03 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1qr6 h ALA 1433Cb 0.52 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1qr6 h ALA 1433CO -0.17 -0.92 -0.43 1.88 0.00 0.00 0.00 179.25 179.62 1qr6 h TYR 1434N -0.67 -1.11 0.17 0.00 0.99 -0.79 -2.73 116.97 112.83 1qr6 h TYR 1434Ca -0.01 -0.02 0.01 0.00 2.00 0.00 0.00 58.73 60.70 1qr6 h TYR 1434Cb 0.62 0.38 -0.02 0.00 1.00 0.00 0.00 36.73 38.70 1qr6 h TYR 1434CO -0.20 -0.67 -0.22 1.79 -0.00 0.00 0.00 178.16 178.86 1qr6 h THR 1435N -1.14 0.52 0.00 -2.88 1.35 -1.13 0.22 112.91 109.85 1qr6 h THR 1435Ca -0.11 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 1qr6 h THR 1435Cb 0.89 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1qr6 h THR 1435CO 0.16 0.00 0.01 0.18 -0.25 0.00 0.00 175.52 175.62 1qr6 n LEU 1436N -5.34 0.00 -0.11 3.87 4.77 -0.46 -0.74 117.00 118.99 1qr6 n LEU 1436Ca -0.07 0.21 0.02 0.00 -0.03 0.00 0.00 56.01 56.13 1qr6 n LEU 1436Cb 0.25 -0.21 0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1qr6 n LEU 1436CO 0.28 -0.21 0.38 0.35 -1.33 0.00 0.00 177.39 176.87 1qr6 n THR 1437N -1.19 0.63 -1.92 -5.08 -2.24 -0.56 -4.28 114.28 99.63 1qr6 n THR 1437Ca 0.00 -0.70 -0.13 0.00 -2.27 0.00 0.00 64.05 60.95 1qr6 n THR 1437Cb 0.01 0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 68.74 1qr6 n THR 1437CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qr6 n GLU 1438N -0.41 -1.76 -2.13 -0.78 -0.58 0.08 -0.55 120.64 114.52 1qr6 n GLU 1438Ca 0.03 0.67 -0.03 0.00 -0.42 0.00 0.00 57.16 57.42 1qr6 n GLU 1438Cb 0.49 -5.10 0.00 0.00 -0.57 0.00 0.00 31.44 26.27 1qr6 n GLU 1438CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qr6 n GLY 1439N -0.53 0.33 0.49 0.62 0.00 0.58 -4.95 105.19 101.73 1qr6 n GLY 1439Ca -0.14 -0.75 0.06 0.00 0.00 0.00 0.00 46.02 45.19 1qr6 n GLY 1439CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qr6 n ARG 1440N -1.23 1.17 -3.58 1.61 1.74 0.29 -5.00 116.66 111.65 1qr6 n ARG 1440Ca -0.03 -1.40 -0.28 0.00 -0.77 0.00 0.00 57.85 55.37 1qr6 n ARG 1440Cb 0.52 -1.23 -0.03 0.00 -1.02 0.00 0.00 32.46 30.70 1qr6 n ARG 1440CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qr6 s LEU 1442N -3.31 4.76 0.15 0.00 1.43 0.54 -4.90 118.68 117.36 1qr6 s LEU 1442Ca 0.40 -1.21 0.08 0.00 -1.03 0.00 0.00 54.13 52.38 1qr6 s LEU 1442Cb -0.11 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1qr6 s LEU 1442CO 0.29 -0.42 -0.11 0.12 0.23 0.00 0.00 176.35 176.46 1qr6 s PHE 1443N 1.47 2.65 -0.10 0.29 5.36 -1.26 0.15 117.98 126.55 1qr6 s PHE 1443Ca 0.01 -0.21 -0.30 0.00 -0.96 0.00 0.00 56.93 55.47 1qr6 s PHE 1443Cb -0.21 -1.34 0.08 0.00 -0.34 0.00 0.00 43.02 41.22 1qr6 s PHE 1443CO 0.04 0.47 0.73 0.00 -1.46 0.00 0.00 175.22 175.01 1qr6 s ALA 1444N -1.49 -1.80 0.12 11.12 0.00 -1.01 -4.36 121.76 124.35 1qr6 s ALA 1444Ca 0.23 1.46 -0.04 0.00 0.00 0.00 0.00 51.96 53.61 1qr6 s ALA 1444Cb -0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 1qr6 s ALA 1444CO 0.14 -0.35 0.12 -1.54 0.00 0.00 0.00 175.76 174.12 1qr6 s SER 1445N -0.94 0.25 0.19 0.00 1.04 -1.05 -1.94 113.70 111.24 1qr6 s SER 1445Ca -0.08 -1.03 0.10 0.00 0.48 0.00 0.00 55.95 55.42 1qr6 s SER 1445Cb -0.01 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.40 1qr6 s SER 1445CO 0.07 -0.75 1.38 1.23 0.98 0.00 0.00 173.24 176.15 1qr6 h GLY 1446N 2.81 0.00 -4.94 7.32 0.00 -1.52 -0.58 103.07 106.16 1qr6 h GLY 1446Ca -0.34 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.36 1qr6 h GLY 1446CO 0.57 0.00 -0.52 -0.56 0.00 0.00 0.00 176.54 176.03 1qr6 s SER 1447N -6.66 6.17 0.34 0.19 0.01 -1.26 -4.64 113.70 107.85 1qr6 s SER 1447Ca 0.01 0.23 -0.28 0.00 1.31 0.00 0.00 55.95 57.23 1qr6 s SER 1447Cb 0.10 -1.87 -0.09 0.00 0.21 0.00 0.00 66.02 64.37 1qr6 s SER 1447CO 0.79 0.20 1.20 -2.16 0.41 0.00 0.00 173.24 173.68 1qr6 s PRO 1448N -2.30 4.34 -0.01 12.44 0.04 -1.26 -4.87 135.00 143.38 1qr6 s PRO 1448Ca 0.31 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.33 1qr6 s PRO 1448Cb -0.13 -2.97 0.01 0.00 0.04 0.00 0.00 34.50 31.45 1qr6 s PRO 1448CO 0.24 -0.12 -0.00 -0.06 0.04 0.00 0.00 177.00 177.10 1qr6 s PHE 1449N -1.24 0.09 0.98 0.56 0.40 -1.26 -5.03 117.98 112.48 1qr6 s PHE 1449Ca 0.50 0.01 -0.15 0.00 -0.60 0.00 0.00 56.93 56.69 1qr6 s PHE 1449Cb -0.34 -0.11 0.19 0.00 0.51 0.00 0.00 43.02 43.26 1qr6 s PHE 1449CO 0.45 -0.03 1.19 0.20 0.70 0.00 0.00 175.22 177.73 1qr6 s GLY 1450N 0.25 1.64 0.22 4.36 0.00 -1.26 -4.60 107.32 107.93 1qr6 s GLY 1450Ca -0.02 -0.84 -0.31 0.00 0.00 0.00 0.00 44.72 43.55 1qr6 s GLY 1450CO -0.01 -0.15 1.58 -4.14 0.00 0.00 0.00 173.10 170.38 1qr6 s PRO 1451N -5.53 4.18 -0.57 2.90 0.02 -1.26 -4.63 135.00 130.12 1qr6 s PRO 1451Ca 0.68 2.45 -0.18 0.00 0.02 0.00 0.00 61.00 63.98 1qr6 s PRO 1451Cb -0.10 -3.09 0.11 0.00 0.02 0.00 0.00 34.50 31.44 1qr6 s PRO 1451CO 0.53 -0.60 0.62 0.08 -0.33 0.00 0.00 177.00 177.31 1qr6 s VAL 1452N 0.60 4.97 -0.53 3.83 1.01 0.42 -4.85 120.40 125.86 1qr6 s VAL 1452Ca 0.67 -1.16 -0.21 0.00 0.00 0.00 0.00 61.98 61.28 1qr6 s VAL 1452Cb -0.46 -4.42 0.05 0.00 0.00 0.00 0.00 36.38 31.55 1qr6 s VAL 1452CO 0.38 -1.02 0.77 -0.75 0.00 0.00 0.00 175.10 174.48 1qr6 s LYS 1453N 2.28 3.20 0.48 2.72 2.36 -1.26 -0.70 119.74 128.83 1qr6 s LYS 1453Ca 0.08 -0.65 -0.08 0.00 -2.55 0.00 0.00 55.97 52.77 1qr6 s LYS 1453Cb -0.26 -4.09 0.12 0.00 -1.05 0.00 0.00 37.83 32.55 1qr6 s LYS 1453CO 0.05 -1.36 0.51 1.28 1.55 0.00 0.00 175.35 177.38 1qr6 n LEU 1454N 6.75 0.00 -0.13 5.43 4.32 0.21 -4.93 117.00 128.65 1qr6 n LEU 1454Ca -0.03 -0.55 -0.10 0.00 -0.02 0.00 0.00 56.01 55.31 1qr6 n LEU 1454Cb 0.46 -0.43 -0.02 0.00 -1.62 0.00 0.00 43.42 41.81 1qr6 n LEU 1454CO 0.58 -1.27 0.82 0.00 -1.22 0.00 0.00 177.39 176.30 1qr6 h THR 1455N -1.76 1.24 0.00 -5.08 1.03 -1.97 -2.88 112.91 103.50 1qr6 h THR 1455Ca -0.18 -0.89 0.00 0.00 -0.01 0.00 0.00 66.41 65.33 1qr6 h THR 1455Cb 0.53 1.09 0.00 0.00 -1.07 0.00 0.00 68.15 68.69 1qr6 h THR 1455CO 0.12 0.30 0.00 -0.90 -0.01 0.00 0.00 175.52 175.03 1qr6 n ASP 1456N -4.53 0.00 0.00 0.00 3.85 -1.26 -4.79 116.55 109.82 1qr6 n ASP 1456Ca -0.01 -0.07 0.00 0.00 -0.71 0.00 0.00 54.79 54.00 1qr6 n ASP 1456Cb 0.24 -0.13 0.00 0.00 -1.35 0.00 0.00 41.12 39.88 1qr6 n ASP 1456CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1qr6 n GLY 1457N -0.52 3.12 3.74 6.12 0.00 -1.09 -5.06 105.19 111.51 1qr6 n GLY 1457Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1qr6 n GLY 1457CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qr6 n ARG 1458N -1.36 2.63 -4.09 1.61 1.74 -1.26 -4.69 116.66 111.24 1qr6 n ARG 1458Ca 0.00 0.93 -0.32 0.00 -0.77 0.00 0.00 57.85 57.69 1qr6 n ARG 1458Cb 0.00 -2.69 -0.16 0.00 -1.02 0.00 0.00 32.46 28.59 1qr6 n ARG 1458CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1qr6 s VAL 1459N -0.28 1.96 -0.29 1.55 1.01 -1.26 0.65 120.40 123.75 1qr6 s VAL 1459Ca 0.62 -0.93 -0.09 0.00 0.00 0.00 0.00 61.98 61.58 1qr6 s VAL 1459Cb -0.50 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 1qr6 s VAL 1459CO 0.52 0.48 0.12 -0.36 0.00 0.00 0.00 175.10 175.86 1qr6 s PHE 1460N 1.32 3.15 -0.51 5.22 0.08 0.13 -4.89 117.98 122.47 1qr6 s PHE 1460Ca 0.04 -0.53 -0.19 0.00 0.12 0.00 0.00 56.93 56.37 1qr6 s PHE 1460Cb -0.13 -2.31 0.06 0.00 -0.57 0.00 0.00 43.02 40.07 1qr6 s PHE 1460CO -0.12 -0.42 0.64 0.99 -0.10 0.00 0.00 175.22 176.21 1qr6 s THR 1461N 1.61 4.86 0.40 0.64 2.01 -0.51 -0.43 115.64 124.21 1qr6 s THR 1461Ca 0.05 -0.49 -0.21 0.00 0.31 0.00 0.00 61.69 61.35 1qr6 s THR 1461Cb -0.16 -4.31 -0.11 0.00 0.01 0.00 0.00 72.50 67.93 1qr6 s THR 1461CO 0.05 -0.82 0.92 -2.16 -0.69 0.00 0.00 174.62 171.92 1qr6 s PRO 1462N 2.66 4.26 0.16 4.92 0.04 -1.26 -2.83 135.00 142.94 1qr6 s PRO 1462Ca 0.15 1.09 0.01 0.00 0.04 0.00 0.00 61.00 62.30 1qr6 s PRO 1462Cb -0.19 -2.32 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 1qr6 s PRO 1462CO 0.12 0.05 0.32 0.20 0.04 0.00 0.00 177.00 177.72 1qr6 s GLY 1463N -2.09 1.80 -0.16 0.56 0.00 -1.26 -4.84 107.32 101.33 1qr6 s GLY 1463Ca 0.59 -0.93 -0.04 0.00 0.00 0.00 0.00 44.72 44.34 1qr6 s GLY 1463CO 0.15 -0.91 -0.03 1.62 0.00 0.00 0.00 173.10 173.94 1qr6 s GLN 1464N -3.17 3.68 -1.30 2.90 0.74 -1.26 -2.52 119.66 118.72 1qr6 s GLN 1464Ca 0.36 -0.51 -0.11 0.00 0.05 0.00 0.00 55.36 55.15 1qr6 s GLN 1464Cb -0.11 -2.95 0.15 0.00 1.10 0.00 0.00 33.01 31.19 1qr6 s GLN 1464CO 0.29 0.21 1.89 0.41 -0.55 0.00 0.00 175.29 177.53 1qr6 n GLY 1465N 3.63 4.54 3.78 2.59 0.00 -0.22 -4.94 105.19 114.56 1qr6 n GLY 1465Ca -0.17 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.47 1qr6 n GLY 1465CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qr6 s ASN 1466N 1.47 7.37 0.58 1.61 3.84 -1.26 -4.80 114.94 123.75 1qr6 s ASN 1466Ca 0.41 1.77 0.34 0.00 0.21 0.00 0.00 52.86 55.59 1qr6 s ASN 1466Cb 0.09 -2.55 1.79 0.00 -0.55 0.00 0.00 41.25 40.03 1qr6 s ASN 1466CO -0.01 0.03 2.18 0.78 -2.79 0.00 0.00 177.10 177.29 1qr6 h ASN 1467N 3.57 0.00 0.29 -4.21 -0.26 -1.94 -2.76 115.58 110.27 1qr6 h ASN 1467Ca -0.47 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.27 1qr6 h ASN 1467Cb 1.20 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.46 1qr6 h ASN 1467CO 0.66 0.05 0.00 1.33 -1.06 0.00 0.00 177.43 178.41 1qr6 n VAL 1468N -3.41 1.13 0.04 2.81 0.24 -1.26 -1.47 118.33 116.42 1qr6 n VAL 1468Ca -0.02 0.48 -0.05 0.00 -2.04 0.00 0.00 64.34 62.71 1qr6 n VAL 1468Cb 0.18 -1.43 0.15 0.00 -1.47 0.00 0.00 33.84 31.27 1qr6 n VAL 1468CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 1qr6 h TYR 1469N 0.00 0.48 0.00 6.34 0.99 -1.89 -3.38 116.97 119.50 1qr6 h TYR 1469Ca 0.00 -0.14 0.00 0.00 2.00 0.00 0.00 58.73 60.59 1qr6 h TYR 1469Cb 0.14 -0.10 0.00 0.00 1.00 0.00 0.00 36.73 37.77 1qr6 h TYR 1469CO 0.00 0.77 -0.43 -0.89 -0.00 0.00 0.00 178.16 177.61 1qr6 n ILE 1470N -4.01 0.76 -0.34 -2.88 2.08 -0.54 -4.67 119.36 109.75 1qr6 n ILE 1470Ca -0.02 0.33 0.22 0.00 0.56 0.00 0.00 62.75 63.84 1qr6 n ILE 1470Cb 0.52 -1.94 0.46 0.00 -0.75 0.00 0.00 39.64 37.92 1qr6 n ILE 1470CO 0.00 0.00 0.00 2.19 0.56 0.00 0.00 176.55 179.30 1qr6 h PHE 1471N -0.51 0.84 -0.19 1.39 -5.15 -1.68 -2.55 116.94 109.08 1qr6 h PHE 1471Ca 0.00 0.03 -0.04 0.00 -0.20 0.00 0.00 57.97 57.76 1qr6 h PHE 1471Cb 0.43 -0.24 -0.01 0.00 0.22 0.00 0.00 35.95 36.35 1qr6 h PHE 1471CO -0.18 0.01 -0.02 -1.35 -2.00 0.00 0.00 178.31 174.77 1qr6 h PRO 1472N 0.45 0.36 0.00 6.09 0.11 -1.84 -1.95 132.00 135.21 1qr6 h PRO 1472Ca 0.65 -0.13 -0.07 0.00 0.11 0.00 0.00 66.00 66.57 1qr6 h PRO 1472Cb 1.47 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.55 1qr6 h PRO 1472CO -0.42 0.59 -0.32 0.78 -0.21 0.00 0.00 178.00 178.42 1qr6 h GLY 1473N 0.10 0.00 1.14 -0.55 0.00 -1.66 -2.36 103.07 99.74 1qr6 h GLY 1473Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.14 1qr6 h GLY 1473CO 0.01 0.00 -0.92 -2.08 0.00 0.00 0.00 176.54 173.55 1qr6 h VAL 1474N 0.00 1.30 -0.10 4.60 2.07 -1.44 -2.69 116.25 119.99 1qr6 h VAL 1474Ca -0.00 -2.15 -0.00 0.00 0.82 0.00 0.00 66.70 65.36 1qr6 h VAL 1474Cb 0.66 2.32 -0.00 0.00 -1.52 0.00 0.00 31.29 32.75 1qr6 h VAL 1474CO 0.04 0.67 0.04 0.00 0.02 0.00 0.00 177.57 178.34 1qr6 h ALA 1475N 0.42 0.12 -0.05 1.67 0.00 -1.16 -1.85 119.26 118.42 1qr6 h ALA 1475Ca -0.11 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1qr6 h ALA 1475Cb 1.58 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1qr6 h ALA 1475CO 0.18 -0.30 0.01 1.25 0.00 0.00 0.00 179.25 180.39 1qr6 h LEU 1476N 0.01 0.00 -0.68 0.00 5.85 -1.50 -1.15 115.31 117.84 1qr6 h LEU 1476Ca 0.03 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.83 1qr6 h LEU 1476Cb 0.15 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 1qr6 h LEU 1476CO -0.00 0.01 0.36 0.00 -0.34 0.00 0.00 178.44 178.46 1qr6 h ALA 1477N 1.04 0.92 -0.68 1.25 0.00 -1.39 0.18 119.26 120.57 1qr6 h ALA 1477Ca 0.02 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1qr6 h ALA 1477Cb 0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1qr6 h ALA 1477CO -0.03 -0.00 0.13 0.28 0.00 0.00 0.00 179.25 179.62 1qr6 h VAL 1478N 0.64 1.26 -0.17 0.00 2.07 -1.09 -2.50 116.25 116.45 1qr6 h VAL 1478Ca 0.32 -1.02 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 1qr6 h VAL 1478Cb 0.27 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1qr6 h VAL 1478CO -0.22 0.39 -0.10 0.40 0.02 0.00 0.00 177.57 178.06 1qr6 h ILE 1479N 1.04 1.32 0.00 4.57 2.04 -0.29 -1.50 117.51 124.69 1qr6 h ILE 1479Ca 0.21 -1.17 0.00 0.00 1.00 0.00 0.00 64.86 64.90 1qr6 h ILE 1479Cb 0.42 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 1qr6 h ILE 1479CO 0.01 0.35 0.00 -0.07 0.00 0.00 0.00 178.15 178.44 1qr6 h LEU 1480N 0.05 0.00 -2.69 1.44 3.38 -0.67 -2.66 115.31 114.16 1qr6 h LEU 1480Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1qr6 h LEU 1480Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1qr6 h LEU 1480CO 0.03 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1qr6 n ASN 1482N 1.20 -3.13 -4.74 0.00 3.02 -1.00 0.74 115.26 111.34 1qr6 n ASN 1482Ca 0.19 -0.37 -0.41 0.00 -0.03 0.00 0.00 54.58 53.95 1qr6 n ASN 1482Cb 0.54 -2.63 -0.03 0.00 -0.61 0.00 0.00 39.78 37.05 1qr6 n ASN 1482CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1qr6 s THR 1483N -2.85 3.15 -1.56 3.41 2.01 -0.59 -4.05 115.64 115.16 1qr6 s THR 1483Ca 0.39 0.98 0.14 0.00 0.31 0.00 0.00 61.69 63.51 1qr6 s THR 1483Cb -0.21 -3.62 0.06 0.00 0.01 0.00 0.00 72.50 68.74 1qr6 s THR 1483CO 0.49 0.16 0.87 -2.11 -0.69 0.00 0.00 174.62 173.34 1qr6 n ARG 1484N 2.34 1.36 -3.73 4.92 1.85 -1.26 -4.83 116.66 117.30 1qr6 n ARG 1484Ca 0.05 -1.09 -0.12 0.00 -1.00 0.00 0.00 57.85 55.69 1qr6 n ARG 1484Cb 0.43 -1.24 -0.11 0.00 -1.05 0.00 0.00 32.46 30.48 1qr6 n ARG 1484CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1qr6 s HIS 1485N -1.40 -0.44 -0.27 2.89 3.76 -1.26 -2.45 115.29 116.12 1qr6 s HIS 1485Ca 0.14 1.01 -0.05 0.00 -0.15 0.00 0.00 55.06 56.02 1qr6 s HIS 1485Cb 0.12 0.16 0.01 0.00 1.11 0.00 0.00 32.58 33.97 1qr6 s HIS 1485CO 0.25 -0.24 0.01 0.42 -0.85 0.00 0.00 174.74 174.33 1qr6 s ILE 1486N 0.73 3.53 0.37 0.60 1.01 -1.26 -5.02 121.20 121.15 1qr6 s ILE 1486Ca -0.04 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 59.83 1qr6 s ILE 1486Cb -0.06 -2.77 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 1qr6 s ILE 1486CO -0.05 0.19 0.63 -0.94 0.00 0.00 0.00 174.94 174.76 1qr6 s SER 1487N 1.44 6.34 0.48 3.58 1.04 -1.26 -4.94 113.70 120.38 1qr6 s SER 1487Ca 0.02 0.70 0.13 0.00 0.48 0.00 0.00 55.95 57.28 1qr6 s SER 1487Cb -0.16 -2.14 1.11 0.00 0.10 0.00 0.00 66.02 64.92 1qr6 s SER 1487CO -0.01 -0.35 2.11 0.44 0.98 0.00 0.00 173.24 176.41 1qr6 h ASP 1488N 0.89 0.19 -0.19 7.02 3.32 -2.00 -1.02 116.42 124.63 1qr6 h ASP 1488Ca -0.48 -0.00 0.06 0.00 0.02 0.00 0.00 57.03 56.62 1qr6 h ASP 1488Cb 1.20 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 1qr6 h ASP 1488CO 0.63 0.14 0.31 0.28 -1.72 0.00 0.00 179.24 178.87 1qr6 h SER 1489N 0.23 0.00 0.54 6.45 0.02 -2.00 0.33 113.55 119.12 1qr6 h SER 1489Ca 0.07 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.88 1qr6 h SER 1489Cb 0.01 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1qr6 h SER 1489CO -0.01 0.00 -0.64 0.58 -1.14 0.00 0.00 176.83 175.62 1qr6 h VAL 1490N 0.00 1.43 0.02 2.27 2.07 -1.57 -2.04 116.25 118.43 1qr6 h VAL 1490Ca 0.09 -2.13 -0.23 0.00 0.82 0.00 0.00 66.70 65.25 1qr6 h VAL 1490Cb 0.70 2.13 -0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1qr6 h VAL 1490CO -0.00 0.62 -0.97 -0.26 0.02 0.00 0.00 177.57 176.98 1qr6 h PHE 1491N 0.07 0.52 -0.38 1.57 -1.00 -0.48 0.14 116.94 117.38 1qr6 h PHE 1491Ca -0.01 -0.30 -0.02 0.00 2.81 0.00 0.00 57.97 60.45 1qr6 h PHE 1491Cb 1.14 -0.05 -0.02 0.00 3.61 0.00 0.00 35.95 40.63 1qr6 h PHE 1491CO 0.01 1.13 0.16 1.25 -1.61 0.00 0.00 178.31 179.24 1qr6 h LEU 1492N 0.18 0.52 -0.94 1.54 5.85 -1.46 0.58 115.31 121.57 1qr6 h LEU 1492Ca -0.08 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.49 1qr6 h LEU 1492Cb 1.61 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.46 1qr6 h LEU 1492CO 0.16 0.54 0.62 -0.08 -0.34 0.00 0.00 178.44 179.34 1qr6 h GLU 1493N 0.47 1.24 -0.05 1.25 4.57 -1.27 0.11 114.58 120.90 1qr6 h GLU 1493Ca 0.13 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1qr6 h GLU 1493Cb 0.18 -0.28 -0.00 0.00 -0.16 0.00 0.00 28.75 28.49 1qr6 h GLU 1493CO -0.01 0.82 0.02 0.00 -1.18 0.00 0.00 179.01 178.66 1qr6 h ALA 1494N 1.34 0.07 -0.18 2.92 0.00 0.17 -0.58 119.26 122.99 1qr6 h ALA 1494Ca 0.34 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1qr6 h ALA 1494Cb -0.15 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 1qr6 h ALA 1494CO -0.07 -0.34 -0.14 0.00 0.00 0.00 0.00 179.25 178.70 1qr6 h ALA 1495N 0.84 -0.01 -0.88 0.00 0.00 0.58 -0.81 119.26 118.98 1qr6 h ALA 1495Ca 0.02 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1qr6 h ALA 1495Cb 0.19 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1qr6 h ALA 1495CO -0.00 -0.58 0.55 0.87 0.00 0.00 0.00 179.25 180.10 1qr6 h LYS 1496N -0.15 0.99 -0.20 0.00 1.57 -0.87 -1.88 116.57 116.02 1qr6 h LYS 1496Ca 0.11 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 1qr6 h LYS 1496Cb 0.32 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 1qr6 h LYS 1496CO -0.27 0.66 -0.17 0.00 -0.57 0.00 0.00 179.45 179.09 1qr6 h ALA 1497N 1.40 1.33 0.35 3.86 0.00 -0.02 -2.15 119.26 124.03 1qr6 h ALA 1497Ca 0.38 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1qr6 h ALA 1497Cb 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1qr6 h ALA 1497CO -0.16 0.45 -0.17 1.25 0.00 0.00 0.00 179.25 180.62 1qr6 h LEU 1498N 0.32 -0.40 -1.63 0.00 5.85 -0.40 -3.23 115.31 115.82 1qr6 h LEU 1498Ca 0.06 -0.15 0.15 0.00 0.84 0.00 0.00 57.88 58.77 1qr6 h LEU 1498Cb 0.50 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 1qr6 h LEU 1498CO 0.03 0.03 0.49 0.74 -0.34 0.00 0.00 178.44 179.39 1qr6 h THR 1499N -0.93 0.79 0.00 1.05 2.02 -1.42 0.61 112.91 115.03 1qr6 h THR 1499Ca -0.05 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1qr6 h THR 1499Cb 0.53 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1qr6 h THR 1499CO 0.08 0.07 0.00 0.77 0.37 0.00 0.00 175.52 176.81 1qr6 h SER 1500N 0.37 0.00 0.89 4.18 4.64 -1.40 -2.58 113.55 119.65 1qr6 h SER 1500Ca 0.36 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.51 1qr6 h SER 1500Cb 0.87 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.93 1qr6 h SER 1500CO -0.10 0.00 -0.80 1.56 -0.87 0.00 0.00 176.83 176.62 1qr6 h GLN 1501N 0.00 0.00 -6.55 4.77 1.08 -0.93 -3.46 115.11 110.02 1qr6 h GLN 1501Ca 0.00 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.64 1qr6 h GLN 1501Cb 0.22 0.00 0.05 0.00 -0.05 0.00 0.00 27.48 27.70 1qr6 h GLN 1501CO 0.00 0.80 0.92 1.28 -0.95 0.00 0.00 178.83 180.88 1qr6 n LEU 1502N -3.51 3.53 -4.95 1.46 4.77 -0.97 -4.97 117.00 112.36 1qr6 n LEU 1502Ca -0.00 1.06 -0.29 0.00 -0.03 0.00 0.00 56.01 56.75 1qr6 n LEU 1502Cb 0.79 -1.49 0.19 0.00 -2.33 0.00 0.00 43.42 40.58 1qr6 n LEU 1502CO 0.44 -0.06 0.85 0.42 -1.33 0.00 0.00 177.39 177.71 1qr6 s THR 1503N 1.36 2.00 -0.00 -5.08 -4.23 -1.26 -4.88 115.64 103.55 1qr6 s THR 1503Ca 0.79 -0.09 -0.24 0.00 -1.18 0.00 0.00 61.69 60.97 1qr6 s THR 1503Cb -0.60 -2.91 -0.16 0.00 1.34 0.00 0.00 72.50 70.17 1qr6 s THR 1503CO 0.36 0.00 1.13 0.44 -0.54 0.00 0.00 174.62 176.02 1qr6 h ASP 1504N -1.60 -0.40 -0.83 3.99 3.32 -1.98 -1.93 116.42 116.99 1qr6 h ASP 1504Ca -0.43 -0.15 0.04 0.00 0.02 0.00 0.00 57.03 56.51 1qr6 h ASP 1504Cb 1.22 0.10 -0.05 0.00 0.22 0.00 0.00 39.33 40.82 1qr6 h ASP 1504CO 0.33 -0.01 0.52 -0.33 -1.72 0.00 0.00 179.24 178.03 1qr6 h GLU 1505N -0.87 0.98 -0.32 3.56 4.39 -1.97 0.11 114.58 120.46 1qr6 h GLU 1505Ca -0.05 -0.06 0.02 0.00 0.34 0.00 0.00 59.36 59.61 1qr6 h GLU 1505Cb 0.53 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1qr6 h GLU 1505CO 0.08 0.65 0.17 0.93 -1.16 0.00 0.00 179.01 179.68 1qr6 h GLU 1506N 1.00 0.34 0.00 2.33 5.08 -1.91 -0.23 114.58 121.19 1qr6 h GLU 1506Ca 0.34 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1qr6 h GLU 1506Cb 0.05 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1qr6 h GLU 1506CO -0.13 0.23 0.00 1.25 -1.00 0.00 0.00 179.01 179.36 1qr6 h LEU 1507N 0.35 0.00 0.00 1.33 5.85 -0.64 -2.20 115.31 120.01 1qr6 h LEU 1507Ca 0.13 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1qr6 h LEU 1507Cb 0.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1qr6 h LEU 1507CO -0.08 0.00 -0.29 0.00 -0.34 0.00 0.00 178.44 177.73 1qr6 n ALA 1508N -2.00 3.00 -0.35 1.25 0.00 0.30 -3.82 120.51 118.89 1qr6 n ALA 1508Ca 0.01 -0.24 0.06 0.00 0.00 0.00 0.00 53.44 53.27 1qr6 n ALA 1508Cb 0.26 -1.27 0.18 0.00 0.00 0.00 0.00 19.45 18.62 1qr6 n ALA 1508CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qr6 n GLN 1509N -1.53 2.90 -0.30 0.00 10.64 -0.84 -4.94 117.38 123.30 1qr6 n GLN 1509Ca 0.06 -2.22 0.00 0.00 -1.83 0.00 0.00 57.00 53.01 1qr6 n GLN 1509Cb 0.34 -1.39 0.00 0.00 -0.86 0.00 0.00 30.24 28.33 1qr6 n GLN 1509CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1qr6 n GLY 1510N 0.29 0.69 3.59 2.61 0.00 -1.24 -1.43 105.19 109.71 1qr6 n GLY 1510Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1qr6 n GLY 1510CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qr6 s ARG 1511N -0.70 3.55 0.00 1.61 0.52 -0.87 -4.16 118.95 118.89 1qr6 s ARG 1511Ca 0.00 0.49 0.19 0.00 -0.52 0.00 0.00 55.73 55.89 1qr6 s ARG 1511Cb 0.00 -4.00 0.52 0.00 0.52 0.00 0.00 34.95 31.99 1qr6 s ARG 1511CO 0.00 -1.62 1.43 1.28 0.02 0.00 0.00 175.30 176.42 1qr6 n LEU 1512N 8.52 2.96 -3.77 2.53 4.32 -1.26 -4.01 117.00 126.29 1qr6 n LEU 1512Ca 0.12 -1.42 -0.13 0.00 -0.02 0.00 0.00 56.01 54.56 1qr6 n LEU 1512Cb 0.49 -0.32 -0.10 0.00 -1.62 0.00 0.00 43.42 41.86 1qr6 n LEU 1512CO 0.71 0.71 -0.02 -0.31 -1.22 0.00 0.00 177.39 177.26 1qr6 s TYR 1513N -1.36 -0.28 0.47 -1.77 1.51 -1.26 -4.54 117.35 110.12 1qr6 s TYR 1513Ca 0.38 0.63 -0.22 0.00 -1.01 0.00 0.00 57.07 56.84 1qr6 s TYR 1513Cb 0.20 0.10 -0.07 0.00 -0.11 0.00 0.00 41.96 42.08 1qr6 s TYR 1513CO 0.27 -0.23 1.16 -1.25 -1.11 0.00 0.00 175.55 174.39 1qr6 s PRO 1514N -0.32 3.68 -0.07 -1.71 0.05 -1.26 -4.89 135.00 130.49 1qr6 s PRO 1514Ca -0.04 1.76 -0.39 0.00 0.05 0.00 0.00 61.00 62.38 1qr6 s PRO 1514Cb -0.03 -2.34 -0.17 0.00 0.05 0.00 0.00 34.50 32.01 1qr6 s PRO 1514CO 0.01 -0.61 1.46 -0.35 0.05 0.00 0.00 177.00 177.57 1qr6 n PRO 1515N -0.63 1.00 0.28 0.56 -0.04 -1.26 -4.77 135.00 130.14 1qr6 n PRO 1515Ca 0.08 0.36 0.15 0.00 -0.04 0.00 0.00 63.50 64.05 1qr6 n PRO 1515Cb 0.48 -2.00 0.79 0.00 -0.04 0.00 0.00 33.50 32.74 1qr6 n PRO 1515CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1qr6 h LEU 1516N 5.32 0.00 -1.31 1.53 5.85 -1.97 -0.80 115.31 123.93 1qr6 h LEU 1516Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1qr6 h LEU 1516Cb 1.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.37 1qr6 h LEU 1516CO 0.84 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.94 1qr6 h ALA 1517N 1.57 1.00 -0.19 1.25 0.00 -1.97 -2.38 119.26 118.54 1qr6 h ALA 1517Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1qr6 h ALA 1517Cb 0.39 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.04 1qr6 h ALA 1517CO 0.00 0.00 -0.63 0.09 0.00 0.00 0.00 179.25 178.71 1qr6 n ASN 1518N -2.33 2.42 0.25 0.00 3.02 -0.30 -4.78 115.26 113.54 1qr6 n ASN 1518Ca -0.00 -3.68 0.13 0.00 -0.03 0.00 0.00 54.58 51.00 1qr6 n ASN 1518Cb 0.10 -0.47 0.70 0.00 -0.61 0.00 0.00 39.78 39.50 1qr6 n ASN 1518CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1qr6 h ILE 1519N 1.85 0.00 0.09 2.41 6.09 -1.57 -2.16 117.51 124.23 1qr6 h ILE 1519Ca 0.07 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.55 1qr6 h ILE 1519Cb 1.20 0.57 0.00 0.00 0.47 0.00 0.00 36.82 39.06 1qr6 h ILE 1519CO 0.19 0.00 -0.05 -0.61 -3.07 0.00 0.00 178.15 174.62 1qr6 h GLN 1520N 0.00 -0.12 0.00 2.19 4.15 -1.86 -1.70 115.11 117.76 1qr6 h GLN 1520Ca 0.00 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 1qr6 h GLN 1520Cb 0.44 0.03 -0.00 0.00 0.21 0.00 0.00 27.48 28.15 1qr6 h GLN 1520CO 0.00 -0.08 -0.10 1.05 -1.93 0.00 0.00 178.83 177.77 1qr6 h GLU 1521N -0.25 0.00 -0.37 1.69 4.11 -1.81 -0.89 114.58 117.07 1qr6 h GLU 1521Ca -0.01 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.31 1qr6 h GLU 1521Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1qr6 h GLU 1521CO 0.02 0.10 -0.19 0.28 0.07 0.00 0.00 179.01 179.28 1qr6 h VAL 1522N 0.00 1.28 -0.61 -1.06 2.07 -1.49 -0.61 116.25 115.83 1qr6 h VAL 1522Ca -0.00 -1.33 -0.06 0.00 0.82 0.00 0.00 66.70 66.13 1qr6 h VAL 1522Cb 0.23 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1qr6 h VAL 1522CO 0.01 0.44 0.14 0.28 0.02 0.00 0.00 177.57 178.46 1qr6 h SER 1523N 0.57 0.93 0.16 0.57 0.02 -0.24 0.23 113.55 115.80 1qr6 h SER 1523Ca 0.08 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 1qr6 h SER 1523Cb 0.74 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1qr6 h SER 1523CO 0.06 0.93 -0.08 0.40 -1.14 0.00 0.00 176.83 177.00 1qr6 h ILE 1524N 0.89 0.95 -0.95 3.27 1.08 -1.13 -0.10 117.51 121.52 1qr6 h ILE 1524Ca 0.19 -0.50 0.18 0.00 -0.39 0.00 0.00 64.86 64.34 1qr6 h ILE 1524Cb 0.37 1.25 -0.10 0.00 -3.07 0.00 0.00 36.82 35.27 1qr6 h ILE 1524CO 0.00 0.12 0.54 0.78 -0.69 0.00 0.00 178.15 178.90 1qr6 h ASN 1525N -0.46 0.67 -0.44 1.72 4.21 -0.97 0.61 115.58 120.93 1qr6 h ASN 1525Ca -0.02 0.10 -0.08 0.00 1.21 0.00 0.00 56.30 57.51 1qr6 h ASN 1525Cb 0.36 -0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 37.52 1qr6 h ASN 1525CO 0.04 0.24 -0.04 0.40 -1.29 0.00 0.00 177.43 176.78 1qr6 h ILE 1526N 0.70 1.27 -0.37 2.81 2.04 -0.67 -1.66 117.51 121.62 1qr6 h ILE 1526Ca 0.54 -1.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 1qr6 h ILE 1526Cb 0.82 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 1qr6 h ILE 1526CO -0.39 0.38 0.12 0.00 0.00 0.00 0.00 178.15 178.26 1qr6 h ALA 1527N 0.89 0.48 -0.12 1.87 0.00 0.13 -0.72 119.26 121.79 1qr6 h ALA 1527Ca 0.12 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.90 1qr6 h ALA 1527Cb 0.54 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1qr6 h ALA 1527CO 0.03 0.12 -0.06 0.82 0.00 0.00 0.00 179.25 180.15 1qr6 h ILE 1528N 0.44 0.80 -0.64 0.00 2.04 0.17 0.19 117.51 120.52 1qr6 h ILE 1528Ca 0.12 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 1qr6 h ILE 1528Cb 0.24 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1qr6 h ILE 1528CO -0.00 0.00 0.37 0.11 0.00 0.00 0.00 178.15 178.62 1qr6 h LYS 1529N -0.06 0.89 -0.24 2.37 1.79 -1.16 -1.74 116.57 118.42 1qr6 h LYS 1529Ca 0.07 -0.10 -0.08 0.00 -2.18 0.00 0.00 60.65 58.36 1qr6 h LYS 1529Cb 0.16 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 1qr6 h LYS 1529CO -0.15 0.66 -0.21 0.28 -1.08 0.00 0.00 179.45 178.94 1qr6 h VAL 1530N 0.87 1.25 -0.30 0.50 2.07 -0.77 -1.84 116.25 118.04 1qr6 h VAL 1530Ca 0.23 -1.15 -0.11 0.00 0.82 0.00 0.00 66.70 66.49 1qr6 h VAL 1530Cb 0.02 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1qr6 h VAL 1530CO -0.04 0.36 -0.25 0.71 0.02 0.00 0.00 177.57 178.38 1qr6 h THR 1531N 0.39 1.30 -0.70 2.57 1.35 -0.64 0.50 112.91 117.67 1qr6 h THR 1531Ca 0.06 -1.40 0.13 0.00 -0.55 0.00 0.00 66.41 64.65 1qr6 h THR 1531Cb 0.59 1.54 -0.04 0.00 -1.73 0.00 0.00 68.15 68.51 1qr6 h THR 1531CO 0.04 0.45 0.47 -0.33 -0.25 0.00 0.00 175.52 175.90 1qr6 h GLU 1532N 0.44 0.38 -0.08 4.72 5.08 -1.01 -0.65 114.58 123.46 1qr6 h GLU 1532Ca 0.05 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 1qr6 h GLU 1532Cb 0.81 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.98 1qr6 h GLU 1532CO 0.06 0.25 -0.40 -0.92 -1.00 0.00 0.00 179.01 177.01 1qr6 h TYR 1533N 0.40 0.56 -0.73 4.33 3.20 -0.67 -2.43 116.97 121.62 1qr6 h TYR 1533Ca 0.34 -0.25 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1qr6 h TYR 1533Cb 0.77 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.92 1qr6 h TYR 1533CO -0.00 1.00 0.47 -0.07 -1.64 0.00 0.00 178.16 177.92 1qr6 h LEU 1534N -0.04 0.86 -0.16 2.82 3.38 0.35 -1.83 115.31 120.69 1qr6 h LEU 1534Ca -0.03 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1qr6 h LEU 1534Cb 1.05 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1qr6 h LEU 1534CO 0.08 0.65 0.02 1.88 0.09 0.00 0.00 178.44 181.16 1qr6 h TYR 1535N 1.00 0.29 0.00 1.13 0.99 -1.24 -2.40 116.97 116.74 1qr6 h TYR 1535Ca 0.27 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.95 1qr6 h TYR 1535Cb -0.08 -0.08 0.00 0.00 1.00 0.00 0.00 36.73 37.58 1qr6 h TYR 1535CO -0.02 0.45 0.00 0.00 -0.00 0.00 0.00 178.16 178.60 1qr6 h ALA 1536N 0.80 1.00 -0.26 3.88 0.00 -1.26 -2.64 119.26 120.78 1qr6 h ALA 1536Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1qr6 h ALA 1536Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1qr6 h ALA 1536CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1qr6 n ASN 1537N -3.00 3.72 -2.97 0.00 3.02 -0.70 -5.09 115.26 110.23 1qr6 n ASN 1537Ca -0.00 -2.88 -0.00 0.00 -0.03 0.00 0.00 54.58 51.66 1qr6 n ASN 1537Cb 0.23 -0.50 -0.00 0.00 -0.61 0.00 0.00 39.78 38.89 1qr6 n ASN 1537CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1qr6 n LYS 1538N -0.39 -1.84 -0.71 3.52 4.01 -0.93 -5.02 118.16 116.79 1qr6 n LYS 1538Ca 0.20 1.73 0.00 0.00 -0.51 0.00 0.00 58.31 59.73 1qr6 n LYS 1538Cb 0.82 -2.79 0.00 0.00 -0.51 0.00 0.00 35.03 32.56 1qr6 n LYS 1538CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1qr6 n ALA 1540N 1.27 -1.00 -0.57 7.82 0.00 -1.08 -5.03 120.51 121.92 1qr6 n ALA 1540Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1qr6 n ALA 1540Cb 0.29 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.32 1qr6 n ALA 1540CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1qr6 n PHE 1541N -1.93 0.00 -2.50 0.00 3.01 0.23 -4.94 117.46 111.32 1qr6 n PHE 1541Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.05 1qr6 n PHE 1541Cb 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.44 1qr6 n PHE 1541CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1qr6 s ARG 1542N -0.05 3.30 -0.03 -1.08 3.00 -1.09 -4.90 118.95 118.10 1qr6 s ARG 1542Ca 0.00 0.12 0.11 0.00 -1.00 0.00 0.00 55.73 54.96 1qr6 s ARG 1542Cb 0.00 -4.12 -0.23 0.00 0.00 0.00 0.00 34.95 30.60 1qr6 s ARG 1542CO 0.00 -1.97 0.71 1.88 0.00 0.00 0.00 175.30 175.92 1qr6 h TYR 1543N 10.30 0.02 -0.26 5.12 -1.99 -1.92 -3.38 116.97 124.86 1qr6 h TYR 1543Ca -0.27 -0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.36 1qr6 h TYR 1543Cb 1.07 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.78 1qr6 h TYR 1543CO 1.07 1.03 0.28 -2.14 -0.00 0.00 0.00 178.16 178.40 1qr6 s PRO 1544N -2.61 1.57 0.01 4.88 0.02 -1.26 -4.77 135.00 132.84 1qr6 s PRO 1544Ca -0.05 -0.40 -0.34 0.00 0.02 0.00 0.00 61.00 60.24 1qr6 s PRO 1544Cb 0.08 -5.00 -0.12 0.00 0.02 0.00 0.00 34.50 29.48 1qr6 s PRO 1544CO 0.82 -4.92 1.77 -1.91 -0.33 0.00 0.00 177.00 172.43 1qr6 n GLU 1545N 8.35 2.20 -1.82 5.54 2.13 -1.26 -4.96 120.64 130.82 1qr6 n GLU 1545Ca 0.43 0.80 -0.39 0.00 0.66 0.00 0.00 57.16 58.66 1qr6 n GLU 1545Cb 0.46 -2.62 0.03 0.00 0.27 0.00 0.00 31.44 29.57 1qr6 n GLU 1545CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1qr6 s PRO 1546N 2.93 3.44 -0.06 5.31 0.04 -1.26 -4.94 135.00 140.45 1qr6 s PRO 1546Ca 0.87 2.29 -0.16 0.00 0.04 0.00 0.00 61.00 64.04 1qr6 s PRO 1546Cb -0.68 -2.46 -0.30 0.00 0.04 0.00 0.00 34.50 31.11 1qr6 s PRO 1546CO 0.46 -0.97 0.71 1.49 0.04 0.00 0.00 177.00 178.73 1qr6 h GLU 1547N 1.91 0.33 -3.89 4.56 4.81 -2.02 -3.40 114.58 116.88 1qr6 h GLU 1547Ca -0.51 -0.57 -0.76 0.00 -0.13 0.00 0.00 59.36 57.40 1qr6 h GLU 1547Cb 1.28 0.21 -0.28 0.00 0.63 0.00 0.00 28.75 30.59 1qr6 h GLU 1547CO 0.59 1.27 -0.10 0.34 -0.73 0.00 0.00 179.01 180.38 1qr6 s ASP 1548N -7.16 6.26 0.52 1.04 -1.08 -1.26 -4.90 116.67 110.09 1qr6 s ASP 1548Ca -0.16 -2.46 0.25 0.00 -0.52 0.00 0.00 52.55 49.66 1qr6 s ASP 1548Cb 0.04 -2.12 1.43 0.00 -1.46 0.00 0.00 42.92 40.81 1qr6 s ASP 1548CO 0.82 -0.60 2.09 0.11 0.52 0.00 0.00 175.17 178.11 1qr6 h LYS 1549N 7.93 0.00 0.23 4.34 6.56 -1.95 0.02 116.57 133.70 1qr6 h LYS 1549Ca -0.03 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.55 1qr6 h LYS 1549Cb 1.04 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.70 1qr6 h LYS 1549CO 0.81 0.11 -0.11 0.00 -2.06 0.00 0.00 179.45 178.20 1qr6 h ALA 1550N 1.89 -0.86 -0.95 3.86 0.00 -1.90 -1.94 119.26 119.36 1qr6 h ALA 1550Ca -0.00 -0.07 0.27 0.00 0.00 0.00 0.00 54.91 55.11 1qr6 h ALA 1550Cb 0.27 0.12 -0.14 0.00 0.00 0.00 0.00 17.79 18.04 1qr6 h ALA 1550CO 0.01 -0.84 0.45 -0.22 0.00 0.00 0.00 179.25 178.66 1qr6 h LYS 1551N -0.38 0.34 0.53 0.00 3.64 -1.94 0.15 116.57 118.91 1qr6 h LYS 1551Ca -0.03 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1qr6 h LYS 1551Cb 0.24 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1qr6 h LYS 1551CO 0.05 0.22 -0.49 -0.92 -2.27 0.00 0.00 179.45 176.05 1qr6 h TYR 1552N 0.35 -1.34 -0.10 1.91 3.20 -0.92 -0.79 116.97 119.28 1qr6 h TYR 1552Ca 0.64 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.51 1qr6 h TYR 1552Cb 1.33 0.52 -0.01 0.00 1.54 0.00 0.00 36.73 40.11 1qr6 h TYR 1552CO -0.10 -0.66 0.06 0.28 -1.64 0.00 0.00 178.16 176.10 1qr6 h VAL 1553N -1.01 1.02 -0.83 1.81 2.07 -0.42 -2.56 116.25 116.33 1qr6 h VAL 1553Ca -0.07 -0.04 0.15 0.00 0.82 0.00 0.00 66.70 67.56 1qr6 h VAL 1553Cb 0.86 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 1qr6 h VAL 1553CO -0.03 0.02 0.54 0.11 0.02 0.00 0.00 177.57 178.23 1qr6 h LYS 1554N 0.13 0.53 0.00 1.57 6.56 -0.94 -1.56 116.57 122.86 1qr6 h LYS 1554Ca 0.04 -0.03 -0.09 0.00 -1.06 0.00 0.00 60.65 59.50 1qr6 h LYS 1554Cb -0.01 -0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 31.52 1qr6 h LYS 1554CO -0.01 0.35 -0.43 0.93 -2.06 0.00 0.00 179.45 178.23 1qr6 h GLU 1555N 0.55 0.00 -0.62 3.15 5.08 -0.72 -3.25 114.58 118.77 1qr6 h GLU 1555Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 1qr6 h GLU 1555Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1qr6 h GLU 1555CO -0.16 0.43 0.00 0.54 -1.00 0.00 0.00 179.01 178.82 1qr6 n ARG 1556N -3.68 3.09 -3.16 2.33 1.74 -0.59 -4.93 116.66 111.46 1qr6 n ARG 1556Ca -0.01 -2.25 -0.39 0.00 -0.77 0.00 0.00 57.85 54.43 1qr6 n ARG 1556Cb 0.52 -1.73 -0.05 0.00 -1.02 0.00 0.00 32.46 30.17 1qr6 n ARG 1556CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1qr6 s THR 1557N -1.73 4.95 0.17 0.55 -4.23 -1.22 -4.93 115.64 109.20 1qr6 s THR 1557Ca 0.40 1.30 -0.30 0.00 -1.18 0.00 0.00 61.69 61.91 1qr6 s THR 1557Cb 0.26 -3.96 -0.08 0.00 1.34 0.00 0.00 72.50 70.06 1qr6 s THR 1557CO 0.20 0.37 1.20 0.86 -0.54 0.00 0.00 174.62 176.71 1qr6 s TRP 1558N 0.11 3.42 0.03 3.99 -0.00 -0.31 -5.03 118.94 121.15 1qr6 s TRP 1558Ca 0.33 1.40 0.01 0.00 -0.00 0.00 0.00 56.10 57.84 1qr6 s TRP 1558Cb -0.18 -3.44 -0.04 0.00 -0.00 0.00 0.00 33.47 29.82 1qr6 s TRP 1558CO 0.17 -1.24 0.06 1.03 -0.00 0.00 0.00 176.95 176.97 1qr6 s ARG 1559N -0.09 2.91 0.00 5.86 3.00 -1.26 -4.77 118.95 124.60 1qr6 s ARG 1559Ca 0.54 -0.60 0.30 0.00 0.00 0.00 0.00 55.73 55.97 1qr6 s ARG 1559Cb -0.32 -2.75 1.54 0.00 0.00 0.00 0.00 34.95 33.42 1qr6 s ARG 1559CO 0.36 0.61 2.04 -1.13 0.00 0.00 0.00 175.30 177.17 1qr6 n SER 1560N 0.95 0.29 -4.62 0.23 3.41 -1.26 -4.90 113.62 107.72 1qr6 n SER 1560Ca -0.12 -0.74 -0.39 0.00 -0.26 0.00 0.00 58.87 57.37 1qr6 n SER 1560Cb 0.52 -0.09 0.04 0.00 -0.26 0.00 0.00 64.21 64.43 1qr6 n SER 1560CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1qr6 n GLU 1561N -0.93 1.07 -2.80 4.33 4.71 -1.26 -4.70 120.64 121.07 1qr6 n GLU 1561Ca 0.19 0.40 -0.37 0.00 -0.01 0.00 0.00 57.16 57.37 1qr6 n GLU 1561Cb 0.21 -2.17 -0.06 0.00 -1.01 0.00 0.00 31.44 28.41 1qr6 n GLU 1561CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 1qr6 s TYR 1562N -1.45 3.68 -0.05 -0.32 4.12 -1.26 -5.05 117.35 117.03 1qr6 s TYR 1562Ca 0.72 1.75 -0.11 0.00 0.02 0.00 0.00 57.07 59.45 1qr6 s TYR 1562Cb -0.45 -2.90 -0.05 0.00 -1.52 0.00 0.00 41.96 37.04 1qr6 s TYR 1562CO 0.50 0.22 0.30 -0.51 0.02 0.00 0.00 175.55 176.07 1qr6 s ASP 1563N -1.63 6.64 0.32 2.29 1.01 -1.26 -5.06 116.67 118.98 1qr6 s ASP 1563Ca 0.50 0.76 -0.28 0.00 0.71 0.00 0.00 52.55 54.24 1qr6 s ASP 1563Cb -0.18 -2.18 -0.09 0.00 1.01 0.00 0.00 42.92 41.48 1qr6 s ASP 1563CO 0.23 0.36 1.15 -0.55 0.21 0.00 0.00 175.17 176.57 1qr6 s SER 1564N -1.07 7.00 -0.00 0.27 0.15 -1.26 -4.95 113.70 113.85 1qr6 s SER 1564Ca 0.20 2.35 0.18 0.00 0.70 0.00 0.00 55.95 59.39 1qr6 s SER 1564Cb -0.15 -2.63 -0.21 0.00 -1.71 0.00 0.00 66.02 61.33 1qr6 s SER 1564CO 0.10 -0.34 0.76 0.18 1.20 0.00 0.00 173.24 175.14 1qr6 n LEU 1565N 0.83 0.82 -4.57 3.45 4.77 -1.26 -5.01 117.00 116.03 1qr6 n LEU 1565Ca 0.00 -0.47 -0.37 0.00 -0.03 0.00 0.00 56.01 55.15 1qr6 n LEU 1565Cb 0.45 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.61 1qr6 n LEU 1565CO 0.54 0.21 0.40 0.18 -1.33 0.00 0.00 177.39 177.38 1qr6 n LEU 1566N -1.47 2.82 -4.89 2.23 4.77 -1.26 -4.99 117.00 114.20 1qr6 n LEU 1566Ca 0.03 0.70 -0.32 0.00 -0.03 0.00 0.00 56.01 56.39 1qr6 n LEU 1566Cb 0.30 -1.34 -0.05 0.00 -2.33 0.00 0.00 43.42 40.00 1qr6 n LEU 1566CO 0.38 -2.29 0.05 -2.16 -1.33 0.00 0.00 177.39 172.04 1qr6 s PRO 1567N -2.94 3.67 -0.75 3.23 0.04 -1.26 -5.02 135.00 131.97 1qr6 s PRO 1567Ca 0.72 0.00 -0.26 0.00 0.04 0.00 0.00 61.00 61.51 1qr6 s PRO 1567Cb -0.38 -2.87 0.01 0.00 0.04 0.00 0.00 34.50 31.31 1qr6 s PRO 1567CO 0.51 0.48 1.53 0.34 0.04 0.00 0.00 177.00 179.90 1qr6 s ASP 1568N -2.25 5.85 -0.22 6.66 2.15 -1.26 -4.96 116.67 122.65 1qr6 s ASP 1568Ca 0.39 -0.36 -0.08 0.00 0.43 0.00 0.00 52.55 52.93 1qr6 s ASP 1568Cb -0.12 -2.55 -0.04 0.00 -0.30 0.00 0.00 42.92 39.90 1qr6 s ASP 1568CO 0.22 -2.03 0.10 -0.69 -0.17 0.00 0.00 175.17 172.60 1qr6 s VAL 1569N 7.01 4.84 0.10 1.11 1.01 -1.26 -5.08 120.40 128.13 1qr6 s VAL 1569Ca 0.49 -0.00 -0.06 0.00 0.00 0.00 0.00 61.98 62.40 1qr6 s VAL 1569Cb -0.08 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 1qr6 s VAL 1569CO 0.12 0.39 0.15 -0.72 0.00 0.00 0.00 175.10 175.04 1qr6 s TYR 1570N 0.93 0.34 0.00 5.22 -0.85 -1.26 -5.16 117.35 116.57 1qr6 s TYR 1570Ca 0.05 -0.78 0.00 0.00 -0.52 0.00 0.00 57.07 55.82 1qr6 s TYR 1570Cb -0.14 -0.17 0.00 0.00 0.38 0.00 0.00 41.96 42.04 1qr6 s TYR 1570CO 0.03 -0.54 0.00 0.39 -1.52 0.00 0.00 175.55 173.91 1qr6 n GLU 1571N -0.06 3.30 -3.19 -3.49 -0.58 -1.26 -5.10 120.64 110.27 1qr6 n GLU 1571Ca -0.13 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.65 1qr6 n GLU 1571Cb 0.62 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.45 1qr6 n GLU 1571CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1qr6 s TRP 1572N 0.00 -0.12 -2.00 -0.32 0.52 -1.26 -5.30 118.94 110.45 1qr6 s TRP 1572Ca 0.00 0.21 0.04 0.00 0.02 0.00 0.00 56.10 56.36 1qr6 s TRP 1572Cb 0.00 0.07 0.21 0.00 -1.15 0.00 0.00 33.47 32.60 1qr6 s TRP 1572CO 0.00 -0.06 0.69 -0.35 0.02 0.00 0.00 176.95 177.25